#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y77 n GLU 21 N 0.00 0.00 -2.47 -1.24 0.28 -1.26 -2.73 120.64 113.22 1y77 n GLU 21 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1y77 n GLU 21 Cb 0.00 -1.47 0.09 0.00 1.43 0.00 0.00 31.44 31.48 1y77 n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1y77 n SER 22 N 1.23 -1.27 -2.84 -1.84 7.64 -1.26 -4.25 113.62 111.03 1y77 n SER 22 Ca 0.00 -2.00 -0.07 0.00 1.01 0.00 0.00 58.87 57.81 1y77 n SER 22 Cb 0.00 0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1y77 n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y77 n ALA 23 N -0.94 0.26 -1.00 -0.43 0.00 -1.11 -4.95 120.51 112.34 1y77 n ALA 23 Ca -0.12 -0.65 -0.00 0.00 0.00 0.00 0.00 53.44 52.67 1y77 n ALA 23 Cb 0.78 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1y77 n ALA 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y77 n PRO 24 N -0.94 -1.65 -3.60 0.00 -0.04 -1.26 -3.37 135.00 124.14 1y77 n PRO 24 Ca -0.00 -0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1y77 n PRO 24 Cb 0.18 -0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.48 1y77 n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1y77 s ILE 25 N -1.00 -0.17 0.87 0.52 1.01 -1.26 -3.36 121.20 117.81 1y77 s ILE 25 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1y77 s ILE 25 Cb -0.00 -0.48 0.14 0.00 0.01 0.00 0.00 42.46 42.12 1y77 s ILE 25 CO 0.00 -0.13 1.22 0.42 0.00 0.00 0.00 174.94 176.46 1y77 s THR 26 N 2.21 2.03 0.00 2.92 -4.23 -1.26 -4.36 115.64 112.95 1y77 s THR 26 Ca 0.04 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 1y77 s THR 26 Cb -0.15 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1y77 s THR 26 CO -0.08 0.00 0.82 0.00 -0.54 0.00 0.00 174.62 174.82 1y77 n ALA 27 N -3.48 -0.13 0.04 3.99 0.00 -1.26 -2.10 120.51 117.57 1y77 n ALA 27 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1y77 n ALA 27 Cb 0.60 0.24 0.19 0.00 0.00 0.00 0.00 19.45 20.49 1y77 n ALA 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y77 n GLU 28 N -1.94 0.02 0.07 0.00 4.07 -1.26 -0.07 120.64 121.53 1y77 n GLU 28 Ca 0.00 0.84 -0.13 0.00 -0.06 0.00 0.00 57.16 57.81 1y77 n GLU 28 Cb 0.00 -2.16 -0.09 0.00 -0.06 0.00 0.00 31.44 29.13 1y77 n GLU 28 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1y77 h ASP 29 N 0.00 -0.17 -0.78 4.31 3.32 -1.80 -3.29 116.42 118.01 1y77 h ASP 29 Ca 0.22 -0.29 0.15 0.00 0.02 0.00 0.00 57.03 57.13 1y77 h ASP 29 Cb 2.11 0.04 -0.15 0.00 0.22 0.00 0.00 39.33 41.56 1y77 h ASP 29 CO -0.00 0.22 -0.20 -1.54 -1.72 0.00 0.00 179.24 176.00 1y77 n SER 30 N -5.00 -0.29 -0.23 6.45 3.41 0.90 -0.16 113.62 118.70 1y77 n SER 30 Ca -0.09 1.34 -0.03 0.00 -0.26 0.00 0.00 58.87 59.83 1y77 n SER 30 Cb 0.24 -0.40 0.03 0.00 -0.26 0.00 0.00 64.21 63.81 1y77 n SER 30 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1y77 h TRP 31 N 0.00 -0.83 -0.92 7.33 -0.00 -1.72 0.33 115.95 120.14 1y77 h TRP 31 Ca 0.37 0.07 0.26 0.00 -0.00 0.00 0.00 58.89 59.60 1y77 h TRP 31 Cb 0.57 0.46 -0.16 0.00 -0.00 0.00 0.00 29.16 30.03 1y77 h TRP 31 CO -0.60 -0.37 0.20 0.00 -0.00 0.00 0.00 178.44 177.67 1y77 h ALA 32 N 1.20 1.32 0.92 1.49 0.00 -0.72 0.53 119.26 124.00 1y77 h ALA 32 Ca 0.27 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.40 1y77 h ALA 32 Cb 0.55 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1y77 h ALA 32 CO -0.73 -0.55 -0.44 0.28 0.00 0.00 0.00 179.25 177.81 1y77 h VAL 33 N 0.12 0.00 -0.82 0.00 2.07 -0.41 -1.76 116.25 115.45 1y77 h VAL 33 Ca 0.59 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 68.26 1y77 h VAL 33 Cb 1.26 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.88 1y77 h VAL 33 CO -0.75 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 177.22 1y77 h ILE 34 N -1.29 0.24 -0.45 4.57 2.04 -0.31 0.84 117.51 123.16 1y77 h ILE 34 Ca -0.13 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.79 1y77 h ILE 34 Cb 0.95 0.17 -0.10 0.00 -0.74 0.00 0.00 36.82 37.10 1y77 h ILE 34 CO 0.21 0.01 -0.38 0.28 0.00 0.00 0.00 178.15 178.28 1y77 h SER 35 N 0.07 -1.26 -0.71 1.72 0.02 0.28 0.39 113.55 114.06 1y77 h SER 35 Ca 0.45 0.21 0.14 0.00 -0.84 0.00 0.00 61.79 61.75 1y77 h SER 35 Cb 0.81 0.58 -0.05 0.00 0.14 0.00 0.00 62.40 63.88 1y77 h SER 35 CO -0.75 -0.34 0.48 0.00 -1.14 0.00 0.00 176.83 175.08 1y77 h ALA 36 N 0.66 2.13 0.62 3.77 0.00 0.15 -2.07 119.26 124.52 1y77 h ALA 36 Ca 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1y77 h ALA 36 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y77 h ALA 36 CO -0.59 -0.31 -0.45 0.35 0.00 0.00 0.00 179.25 178.24 1y77 h PHE 37 N 0.38 -1.23 0.00 0.00 3.57 0.15 -2.65 116.94 117.16 1y77 h PHE 37 Ca 0.35 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1y77 h PHE 37 Cb 0.81 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 40.00 1y77 h PHE 37 CO -0.00 -0.65 -0.10 0.74 -2.23 0.00 0.00 178.31 176.07 1y77 h PHE 38 N -1.03 0.00 -0.21 0.41 -1.00 -1.24 0.12 116.94 113.99 1y77 h PHE 38 Ca -0.08 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.75 1y77 h PHE 38 Cb 0.85 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.35 1y77 h PHE 38 CO -0.15 0.10 -0.15 0.00 -1.61 0.00 0.00 178.31 176.50 1y77 h ARG 39 N 0.00 -0.15 0.12 1.51 3.08 -1.01 -2.48 114.38 115.44 1y77 h ARG 39 Ca -0.00 0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.71 1y77 h ARG 39 Cb 0.39 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1y77 h ARG 39 CO 0.01 -0.10 -1.88 1.49 -1.07 0.00 0.00 179.97 178.43 1y77 h GLU 40 N -0.16 0.25 0.00 0.04 4.81 -1.41 -3.43 114.58 114.68 1y77 h GLU 40 Ca 0.12 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1y77 h GLU 40 Cb 0.34 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1y77 h GLU 40 CO -0.30 1.12 0.00 1.63 -0.73 0.00 0.00 179.01 180.73 1y77 n LYS 41 N -3.43 0.00 0.00 1.92 4.76 0.41 -5.08 118.16 116.74 1y77 n LYS 41 Ca -0.27 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1y77 n LYS 41 Cb 1.05 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 1y77 n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y77 n GLY 42 N 0.57 1.54 0.11 0.72 0.00 -0.94 -4.13 105.19 103.06 1y77 n GLY 42 Ca 0.00 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.49 1y77 n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y77 n LEU 43 N -0.17 0.47 -0.94 0.99 4.77 -1.26 -2.23 117.00 118.62 1y77 n LEU 43 Ca 0.00 0.65 0.09 0.00 -0.03 0.00 0.00 56.01 56.72 1y77 n LEU 43 Cb 0.00 -0.63 0.19 0.00 -2.33 0.00 0.00 43.42 40.65 1y77 n LEU 43 CO 0.00 -0.61 0.65 1.33 -1.33 0.00 0.00 177.39 177.43 1y77 n VAL 44 N -2.05 0.64 0.00 4.08 0.24 -1.26 -4.83 118.33 115.15 1y77 n VAL 44 Ca 0.01 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1y77 n VAL 44 Cb 0.14 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1y77 n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1y77 n SER 45 N 1.13 0.00 0.00 -1.34 3.41 -0.95 -2.20 113.62 113.67 1y77 n SER 45 Ca 0.16 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1y77 n SER 45 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1y77 n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y77 n GLN 46 N -0.44 0.00 -0.33 4.33 10.64 -1.26 0.12 117.38 130.44 1y77 n GLN 46 Ca 0.00 0.00 0.23 0.00 -1.83 0.00 0.00 57.00 55.40 1y77 n GLN 46 Cb 0.00 0.00 0.46 0.00 -0.86 0.00 0.00 30.24 29.84 1y77 n GLN 46 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 1y77 h GLN 47 N 0.00 0.19 0.00 2.61 1.08 -1.79 -1.09 115.11 116.11 1y77 h GLN 47 Ca 0.00 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1y77 h GLN 47 Cb 0.00 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1y77 h GLN 47 CO 0.00 0.12 0.00 1.28 -0.95 0.00 0.00 178.83 179.28 1y77 n LEU 48 N -5.17 1.34 -0.18 1.46 4.77 0.31 -3.31 117.00 116.22 1y77 n LEU 48 Ca 0.31 0.19 0.10 0.00 -0.03 0.00 0.00 56.01 56.58 1y77 n LEU 48 Cb 1.00 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 42.27 1y77 n LEU 48 CO 0.05 0.00 0.45 0.47 -1.33 0.00 0.00 177.39 177.03 1y77 n ASP 49 N -0.41 -0.01 0.09 -1.43 8.00 -0.43 0.14 116.55 122.49 1y77 n ASP 49 Ca 0.00 0.89 0.01 0.00 0.71 0.00 0.00 54.79 56.40 1y77 n ASP 49 Cb 0.00 -0.35 0.33 0.00 -0.02 0.00 0.00 41.12 41.09 1y77 n ASP 49 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1y77 h SER 50 N 0.00 0.29 -0.02 -2.24 0.87 -1.34 -1.12 113.55 109.99 1y77 h SER 50 Ca 0.35 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1y77 h SER 50 Cb 0.76 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1y77 h SER 50 CO -0.48 0.48 -0.04 0.15 -0.53 0.00 0.00 176.83 176.42 1y77 h PHE 51 N 0.28 0.06 -0.17 2.24 3.57 0.12 -2.41 116.94 120.63 1y77 h PHE 51 Ca 0.05 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1y77 h PHE 51 Cb 0.46 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.12 1y77 h PHE 51 CO 0.01 0.63 -0.50 -0.91 -2.23 0.00 0.00 178.31 175.31 1y77 h ASN 52 N -0.52 -1.60 -0.00 0.41 2.35 -1.32 0.42 115.58 115.32 1y77 h ASN 52 Ca -0.00 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1y77 h ASN 52 Cb 0.63 0.64 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 1y77 h ASN 52 CO 0.01 -0.46 0.22 -0.61 -1.65 0.00 0.00 177.43 174.94 1y77 h GLN 53 N -0.53 0.00 0.13 0.81 5.75 -1.25 0.11 115.11 120.11 1y77 h GLN 53 Ca 0.06 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.25 1y77 h GLN 53 Cb 0.66 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.20 1y77 h GLN 53 CO -0.45 0.00 -1.54 0.35 -2.65 0.00 0.00 178.83 174.55 1y77 h PHE 54 N 0.00 0.49 0.12 3.99 3.57 0.26 -2.78 116.94 122.58 1y77 h PHE 54 Ca 0.00 -0.35 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 1y77 h PHE 54 Cb 0.44 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1y77 h PHE 54 CO 0.00 1.40 -0.06 0.28 -2.23 0.00 0.00 178.31 177.71 1y77 h VAL 55 N 0.07 0.00 -0.01 1.41 2.07 0.14 0.23 116.25 120.16 1y77 h VAL 55 Ca -0.25 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1y77 h VAL 55 Cb 2.02 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1y77 h VAL 55 CO 0.17 0.00 -0.02 0.44 0.02 0.00 0.00 177.57 178.18 1y77 h ASP 56 N -0.38 -0.05 0.00 0.57 3.32 -1.29 -3.30 116.42 115.29 1y77 h ASP 56 Ca -0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1y77 h ASP 56 Cb 0.12 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1y77 h ASP 56 CO 0.03 -0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1y77 n TYR 57 N -2.74 0.00 -0.23 4.55 4.02 -1.24 -4.48 117.16 117.03 1y77 n TYR 57 Ca -0.00 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.10 1y77 n TYR 57 Cb 0.01 -0.01 0.36 0.00 -0.02 0.00 0.00 39.34 39.68 1y77 n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1y77 n THR 58 N -1.00 -0.17 -0.25 -0.72 -1.04 -1.05 0.73 114.28 110.78 1y77 n THR 58 Ca 0.00 1.05 -0.08 0.00 -2.04 0.00 0.00 64.05 62.99 1y77 n THR 58 Cb 0.00 -1.72 0.04 0.00 -1.82 0.00 0.00 70.33 66.83 1y77 n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1y77 h LEU 59 N 0.00 1.07 0.60 -4.42 5.85 -0.62 -3.07 115.31 114.73 1y77 h LEU 59 Ca 0.49 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1y77 h LEU 59 Cb 1.47 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 42.22 1y77 h LEU 59 CO -0.32 1.04 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.92 1y77 h GLN 60 N 1.05 -0.78 -0.09 1.25 5.75 0.09 -3.09 115.11 119.29 1y77 h GLN 60 Ca 0.21 0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.79 1y77 h GLN 60 Cb 0.41 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 1y77 h GLN 60 CO 0.01 -0.52 0.74 -0.44 -2.65 0.00 0.00 178.83 175.97 1y77 h ASP 61 N -1.00 0.00 0.08 -0.69 5.19 -1.57 0.13 116.42 118.56 1y77 h ASP 61 Ca -0.08 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.12 1y77 h ASP 61 Cb 0.62 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 1y77 h ASP 61 CO 0.14 0.00 -1.03 0.40 -3.12 0.00 0.00 179.24 175.62 1y77 h ILE 62 N 0.00 1.23 -0.09 0.35 2.04 -1.48 -3.30 117.51 116.26 1y77 h ILE 62 Ca 0.04 -2.37 0.03 0.00 1.00 0.00 0.00 64.86 63.55 1y77 h ILE 62 Cb 1.51 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 40.42 1y77 h ILE 62 CO -0.00 0.62 0.15 -0.29 0.00 0.00 0.00 178.15 178.63 1y77 h ILE 63 N -0.57 0.29 -3.51 -0.67 6.09 -0.68 -3.35 117.51 115.12 1y77 h ILE 63 Ca -0.23 0.00 -0.69 0.00 -1.37 0.00 0.00 64.86 62.57 1y77 h ILE 63 Cb 1.52 0.87 -0.35 0.00 0.47 0.00 0.00 36.82 39.33 1y77 h ILE 63 CO 0.01 0.00 -0.49 0.00 -3.07 0.00 0.00 178.15 174.61 1y77 n GLU 65 N 4.09 0.00 -0.65 0.00 0.28 -1.26 -4.85 120.64 118.25 1y77 n GLU 65 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.09 1y77 n GLU 65 Cb 0.40 0.00 0.31 0.00 1.43 0.00 0.00 31.44 33.58 1y77 n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1y77 n ASP 66 N -0.79 4.57 0.00 -1.84 5.75 -1.26 -4.75 116.55 118.23 1y77 n ASP 66 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 54.79 51.75 1y77 n ASP 66 Cb 0.00 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.48 1y77 n ASP 66 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1y77 n SER 67 N -0.11 0.00 -3.43 -1.12 3.41 -1.26 -4.77 113.62 106.34 1y77 n SER 67 Ca 0.25 0.73 -0.34 0.00 -0.26 0.00 0.00 58.87 59.26 1y77 n SER 67 Cb 1.04 -0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1y77 n SER 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1y77 n THR 68 N -1.51 0.54 -4.29 6.66 -1.04 -1.26 -4.94 114.28 108.44 1y77 n THR 68 Ca 0.00 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.05 61.47 1y77 n THR 68 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1y77 n THR 68 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1y77 n LEU 69 N 1.86 0.00 -3.19 -4.42 4.77 -1.26 -5.01 117.00 109.74 1y77 n LEU 69 Ca 0.09 -1.60 -0.32 0.00 -0.03 0.00 0.00 56.01 54.15 1y77 n LEU 69 Cb 0.31 0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.82 1y77 n LEU 69 CO 0.44 -0.24 0.61 -0.38 -1.33 0.00 0.00 177.39 176.48 1y77 n ILE 70 N -0.51 4.17 0.00 -0.08 5.41 -1.26 -4.91 119.36 122.17 1y77 n ILE 70 Ca -0.05 -5.73 0.00 0.00 1.00 0.00 0.00 62.75 57.97 1y77 n ILE 70 Cb 0.32 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.79 1y77 n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1y77 n ILE 90 N -0.18 -0.06 -4.44 1.39 5.41 -1.26 -5.16 119.36 115.05 1y77 n ILE 90 Ca 0.37 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.90 1y77 n ILE 90 Cb 0.34 -0.03 -0.10 0.00 -0.71 0.00 0.00 39.64 39.15 1y77 n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1y77 s SER 91 N -0.10 2.27 -0.04 4.38 1.04 -1.11 -4.40 113.70 115.74 1y77 s SER 91 Ca 0.00 -1.44 0.02 0.00 0.48 0.00 0.00 55.95 55.00 1y77 s SER 91 Cb 0.00 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.22 1y77 s SER 91 CO 0.00 -0.70 -0.06 -0.36 0.98 0.00 0.00 173.24 173.10 1y77 s PHE 92 N -3.35 0.82 0.00 5.02 0.40 -1.26 -2.14 117.98 117.47 1y77 s PHE 92 Ca 0.34 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1y77 s PHE 92 Cb 0.07 -0.66 0.00 0.00 0.51 0.00 0.00 43.02 42.94 1y77 s PHE 92 CO 0.15 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.32 1y77 n GLY 93 N 3.73 3.39 3.28 4.36 0.00 -0.48 -4.92 105.19 114.55 1y77 n GLY 93 Ca -0.23 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1y77 n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y77 n LYS 94 N 0.00 -0.77 -4.22 1.61 4.81 -1.26 -4.49 118.16 113.84 1y77 n LYS 94 Ca 0.00 -0.20 -0.19 0.00 -0.87 0.00 0.00 58.31 57.05 1y77 n LYS 94 Cb 0.00 -1.62 -0.16 0.00 0.02 0.00 0.00 35.03 33.27 1y77 n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1y77 s ILE 95 N -2.25 0.55 -0.13 3.15 2.07 -1.26 -1.66 121.20 121.67 1y77 s ILE 95 Ca 0.53 -0.21 -0.04 0.00 -1.41 0.00 0.00 60.65 59.52 1y77 s ILE 95 Cb -0.14 -0.52 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1y77 s ILE 95 CO 0.68 0.19 0.03 -0.31 -1.91 0.00 0.00 174.94 173.63 1y77 s TYR 96 N 0.40 3.22 -0.40 3.50 1.51 0.71 -4.97 117.35 121.32 1y77 s TYR 96 Ca -0.05 0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 56.10 1y77 s TYR 96 Cb -0.09 -1.91 0.10 0.00 -0.11 0.00 0.00 41.96 39.95 1y77 s TYR 96 CO 0.00 0.34 0.19 0.08 -1.11 0.00 0.00 175.55 175.05 1y77 s VAL 97 N -0.39 3.41 0.12 0.71 1.01 -1.26 -1.77 120.40 122.23 1y77 s VAL 97 Ca 0.08 -1.86 -0.24 0.00 0.00 0.00 0.00 61.98 59.96 1y77 s VAL 97 Cb -0.12 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1y77 s VAL 97 CO 0.02 -0.59 0.74 0.42 0.00 0.00 0.00 175.10 175.69 1y77 s THR 98 N 1.20 4.51 0.66 3.92 -4.23 -0.97 -5.00 115.64 115.74 1y77 s THR 98 Ca 0.06 1.61 -0.17 0.00 -1.18 0.00 0.00 61.69 62.00 1y77 s THR 98 Cb -0.23 -4.10 -0.00 0.00 1.34 0.00 0.00 72.50 69.52 1y77 s THR 98 CO -0.03 0.49 1.24 -0.54 -0.54 0.00 0.00 174.62 175.24 1y77 s LYS 99 N -0.87 2.52 0.06 3.99 1.02 -1.26 -3.53 119.74 121.67 1y77 s LYS 99 Ca 0.35 1.90 -0.13 0.00 0.02 0.00 0.00 55.97 58.11 1y77 s LYS 99 Cb -0.22 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.15 1y77 s LYS 99 CO 0.24 -1.58 0.27 -2.30 -0.92 0.00 0.00 175.35 171.07 1y77 n PRO 100 N -2.10 0.00 -4.06 -1.68 -0.02 -1.23 -4.67 135.00 121.24 1y77 n PRO 100 Ca 0.14 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.50 1y77 n PRO 100 Cb 0.49 -0.47 -0.05 0.00 -0.02 0.00 0.00 33.50 33.45 1y77 n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1y77 s MET 101 N -0.32 1.72 -0.17 -0.52 -1.94 -1.26 -3.38 119.30 113.43 1y77 s MET 101 Ca 0.30 -1.56 -0.04 0.00 -1.71 0.00 0.00 55.69 52.68 1y77 s MET 101 Cb -0.42 0.44 0.08 0.00 2.01 0.00 0.00 34.83 36.94 1y77 s MET 101 CO 0.24 -0.70 0.20 0.08 -0.01 0.00 0.00 175.02 174.82 1y77 s VAL 102 N -3.49 -0.30 -0.52 -6.03 1.01 -0.85 -4.70 120.40 105.52 1y77 s VAL 102 Ca 0.28 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 1y77 s VAL 102 Cb 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 36.38 35.88 1y77 s VAL 102 CO 0.15 -0.11 0.60 0.21 0.00 0.00 0.00 175.10 175.94 1y77 s ASN 103 N 2.31 6.20 0.22 3.32 2.47 -1.26 -2.71 114.94 125.50 1y77 s ASN 103 Ca 0.05 -1.13 0.11 0.00 0.42 0.00 0.00 52.86 52.31 1y77 s ASN 103 Cb -0.15 -2.27 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 1y77 s ASN 103 CO -0.10 -0.89 -0.21 -1.83 -3.72 0.00 0.00 177.10 170.35 1y77 s GLU 104 N 2.42 1.53 0.66 0.43 -1.05 -1.25 -4.99 118.70 116.45 1y77 s GLU 104 Ca 0.12 -1.61 -0.11 0.00 -0.15 0.00 0.00 54.97 53.22 1y77 s GLU 104 Cb -0.22 -1.68 -0.01 0.00 -0.44 0.00 0.00 34.13 31.79 1y77 s GLU 104 CO 0.09 0.33 1.05 -1.54 0.95 0.00 0.00 175.26 176.15 1y77 s SER 105 N -3.05 5.69 -1.46 0.83 1.04 -1.24 -3.83 113.70 111.67 1y77 s SER 105 Ca 0.24 1.56 -0.09 0.00 0.48 0.00 0.00 55.95 58.14 1y77 s SER 105 Cb -0.06 -2.49 0.04 0.00 0.10 0.00 0.00 66.02 63.61 1y77 s SER 105 CO 0.11 -1.24 0.78 0.47 0.98 0.00 0.00 173.24 174.35 1y77 n ASP 106 N -2.95 -5.42 -3.00 7.02 8.00 -1.26 -4.90 116.55 114.04 1y77 n ASP 106 Ca 0.07 -0.47 0.02 0.00 0.71 0.00 0.00 54.79 55.13 1y77 n ASP 106 Cb 0.54 -4.35 0.01 0.00 -0.02 0.00 0.00 41.12 37.29 1y77 n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y77 n GLY 107 N -1.59 0.29 0.00 0.44 0.00 -1.25 -5.16 105.19 97.91 1y77 n GLY 107 Ca -0.03 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1y77 n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y77 n VAL 108 N -0.65 0.00 -3.39 1.61 0.31 -1.26 -4.78 118.33 110.17 1y77 n VAL 108 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.18 1y77 n VAL 108 Cb 0.40 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.24 1y77 n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1y77 s THR 109 N 0.00 -0.28 0.59 2.52 2.01 -1.26 -3.86 115.64 115.36 1y77 s THR 109 Ca 0.00 -0.95 -0.19 0.00 0.31 0.00 0.00 61.69 60.86 1y77 s THR 109 Cb 0.00 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1y77 s THR 109 CO 0.00 -0.61 1.18 -2.28 -0.69 0.00 0.00 174.62 172.21 1y77 s HIS 110 N 1.65 2.48 -0.55 4.92 5.04 -1.10 -4.73 115.29 123.00 1y77 s HIS 110 Ca 0.15 1.53 -0.28 0.00 -1.54 0.00 0.00 55.06 54.92 1y77 s HIS 110 Cb -0.16 -3.40 0.03 0.00 0.04 0.00 0.00 32.58 29.09 1y77 s HIS 110 CO -0.12 -1.99 1.14 0.00 -2.34 0.00 0.00 174.74 171.43 1y77 s ALA 111 N -1.71 3.06 0.42 1.58 0.00 -1.26 -2.02 121.76 121.83 1y77 s ALA 111 Ca 0.75 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 1y77 s ALA 111 Cb -0.28 -3.95 -0.11 0.00 0.00 0.00 0.00 23.12 18.79 1y77 s ALA 111 CO 0.32 -2.50 0.95 -1.17 0.00 0.00 0.00 175.76 173.36 1y77 s LEU 112 N 4.66 3.99 0.17 0.00 2.96 -1.22 -4.99 118.68 124.26 1y77 s LEU 112 Ca 0.42 1.72 0.05 0.00 -0.22 0.00 0.00 54.13 56.11 1y77 s LEU 112 Cb -0.08 -4.47 -0.05 0.00 0.50 0.00 0.00 46.19 42.09 1y77 s LEU 112 CO 0.26 -0.34 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.54 1y77 s TYR 113 N -2.10 1.43 0.00 5.38 1.51 -1.26 -4.75 117.35 117.56 1y77 s TYR 113 Ca 0.61 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1y77 s TYR 113 Cb -0.11 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 1y77 s TYR 113 CO 0.15 0.15 0.19 -0.35 -1.11 0.00 0.00 175.55 174.58 1y77 n PRO 114 N -0.28 0.00 -0.08 -1.71 -0.04 -1.26 -2.54 135.00 129.09 1y77 n PRO 114 Ca -0.09 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1y77 n PRO 114 Cb 0.61 -0.69 0.22 0.00 -0.04 0.00 0.00 33.50 33.60 1y77 n PRO 114 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1y77 n GLN 115 N -0.23 0.01 0.05 0.54 -0.06 -1.26 0.21 117.38 116.63 1y77 n GLN 115 Ca 0.00 0.60 -0.15 0.00 -2.00 0.00 0.00 57.00 55.45 1y77 n GLN 115 Cb 0.00 -1.52 -0.14 0.00 -4.06 0.00 0.00 30.24 24.52 1y77 n GLN 115 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1y77 h GLU 116 N 0.00 0.19 -0.23 3.69 4.81 -1.87 -3.25 114.58 117.92 1y77 h GLU 116 Ca 0.25 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1y77 h GLU 116 Cb 1.67 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 1y77 h GLU 116 CO -0.00 1.03 -0.27 0.00 -0.73 0.00 0.00 179.01 179.04 1y77 h ALA 117 N 0.59 1.11 -0.79 2.92 0.00 0.27 -1.78 119.26 121.59 1y77 h ALA 117 Ca -0.23 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1y77 h ALA 117 Cb 1.99 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1y77 h ALA 117 CO 0.15 0.56 0.33 0.00 0.00 0.00 0.00 179.25 180.28 1y77 h ARG 118 N 0.39 1.17 0.05 0.00 3.08 -1.58 0.15 114.38 117.64 1y77 h ARG 118 Ca 0.06 -0.20 -0.17 0.00 0.07 0.00 0.00 59.98 59.74 1y77 h ARG 118 Cb 0.68 -0.20 0.02 0.00 0.08 0.00 0.00 29.97 30.55 1y77 h ARG 118 CO 0.05 0.94 -0.68 -0.07 -1.07 0.00 0.00 179.97 179.14 1y77 h LEU 119 N 1.15 0.52 -0.82 3.04 3.38 -1.55 -3.28 115.31 117.74 1y77 h LEU 119 Ca 0.27 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1y77 h LEU 119 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1y77 h LEU 119 CO -0.02 1.28 0.00 0.54 0.09 0.00 0.00 178.44 180.33 1y77 n ARG 120 N -4.18 1.51 -3.79 1.13 1.74 -0.68 -4.92 116.66 107.46 1y77 n ARG 120 Ca -0.12 -0.69 -0.32 0.00 -0.77 0.00 0.00 57.85 55.95 1y77 n ARG 120 Cb 0.73 -1.22 0.03 0.00 -1.02 0.00 0.00 32.46 30.97 1y77 n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1y77 n ASN 121 N 0.07 -3.94 0.00 0.55 5.03 0.30 -4.89 115.26 112.37 1y77 n ASN 121 Ca 0.06 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 54.47 1y77 n ASN 121 Cb 0.20 -3.12 0.00 0.00 -1.02 0.00 0.00 39.78 35.85 1y77 n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1y77 n LEU 122 N -4.34 0.00 -3.38 3.41 4.77 0.03 -3.75 117.00 113.75 1y77 n LEU 122 Ca -0.15 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 1y77 n LEU 122 Cb 0.61 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1y77 n LEU 122 CO 0.70 0.00 -0.15 -0.89 -1.33 0.00 0.00 177.39 175.72 1y77 s THR 123 N 3.32 -0.43 -0.40 -5.08 2.01 -1.26 -0.36 115.64 113.44 1y77 s THR 123 Ca 0.00 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 1y77 s THR 123 Cb 0.00 -0.93 -0.21 0.00 0.01 0.00 0.00 72.50 71.37 1y77 s THR 123 CO 0.00 -0.45 1.70 0.00 -0.69 0.00 0.00 174.62 175.18 1y77 n TYR 124 N 5.14 0.87 -1.01 4.92 9.36 -0.15 -4.76 117.16 131.53 1y77 n TYR 124 Ca 0.01 -1.16 0.00 0.00 3.32 0.00 0.00 57.90 60.06 1y77 n TYR 124 Cb 0.47 -1.20 0.00 0.00 -0.63 0.00 0.00 39.34 37.98 1y77 n TYR 124 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1y77 n SER 125 N 7.35 0.00 -3.61 2.98 3.41 -1.26 -1.44 113.62 121.05 1y77 n SER 125 Ca 0.42 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.00 1y77 n SER 125 Cb 0.33 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.26 1y77 n SER 125 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y77 s SER 126 N -0.51 -0.15 0.25 4.04 1.04 -1.11 -3.53 113.70 113.72 1y77 s SER 126 Ca 0.00 -0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.04 1y77 s SER 126 Cb 0.00 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.26 1y77 s SER 126 CO 0.00 -0.40 0.96 -0.83 0.98 0.00 0.00 173.24 173.94 1y77 s GLY 127 N -2.58 3.08 -0.34 7.32 0.00 -1.23 -0.24 107.32 113.33 1y77 s GLY 127 Ca 0.11 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.46 1y77 s GLY 127 CO -0.04 1.20 0.06 1.08 0.00 0.00 0.00 173.10 175.40 1y77 s LEU 128 N -1.29 4.41 -0.13 0.66 1.02 -0.58 -2.30 118.68 120.47 1y77 s LEU 128 Ca 0.42 -1.64 -0.02 0.00 0.02 0.00 0.00 54.13 52.92 1y77 s LEU 128 Cb -0.26 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.20 1y77 s LEU 128 CO 0.32 -0.36 -0.07 -0.36 0.02 0.00 0.00 176.35 175.90 1y77 s PHE 129 N 1.16 2.94 -0.02 0.29 2.99 -0.73 0.09 117.98 124.70 1y77 s PHE 129 Ca 0.01 -0.34 0.03 0.00 0.00 0.00 0.00 56.93 56.63 1y77 s PHE 129 Cb -0.21 -1.87 0.00 0.00 0.00 0.00 0.00 43.02 40.94 1y77 s PHE 129 CO -0.03 -0.01 -0.09 0.08 -0.00 0.00 0.00 175.22 175.16 1y77 s VAL 130 N 0.11 0.79 -0.79 -0.44 1.01 -0.78 0.26 120.40 120.55 1y77 s VAL 130 Ca -0.03 -0.38 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 1y77 s VAL 130 Cb -0.14 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1y77 s VAL 130 CO 0.03 0.24 1.79 -1.81 0.00 0.00 0.00 175.10 175.35 1y77 s ASP 131 N 0.08 5.46 0.40 3.32 1.01 -0.66 -2.97 116.67 123.29 1y77 s ASP 131 Ca -0.01 -0.38 -0.23 0.00 0.71 0.00 0.00 52.55 52.64 1y77 s ASP 131 Cb -0.07 -2.55 -0.11 0.00 1.01 0.00 0.00 42.92 41.20 1y77 s ASP 131 CO 0.00 -2.37 0.95 -0.69 0.21 0.00 0.00 175.17 173.27 1y77 s VAL 132 N 8.65 4.33 -0.10 -1.27 1.01 -1.26 -1.38 120.40 130.37 1y77 s VAL 132 Ca 0.62 1.60 0.02 0.00 0.00 0.00 0.00 61.98 64.22 1y77 s VAL 132 Cb -0.08 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1y77 s VAL 132 CO 0.08 -0.17 -0.16 -0.54 0.00 0.00 0.00 175.10 174.31 1y77 s LYS 133 N -2.82 2.22 -0.09 2.72 1.02 -0.91 -4.97 119.74 116.91 1y77 s LYS 133 Ca 0.58 -0.57 0.17 0.00 0.02 0.00 0.00 55.97 56.17 1y77 s LYS 133 Cb -0.12 -1.86 -0.25 0.00 -0.52 0.00 0.00 37.83 35.07 1y77 s LYS 133 CO 0.16 -0.03 0.25 0.36 -0.92 0.00 0.00 175.35 175.17 1y77 n LYS 134 N 4.10 0.85 0.00 1.68 2.85 -1.26 -2.74 118.16 123.64 1y77 n LYS 134 Ca -0.19 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 1y77 n LYS 134 Cb 0.51 -1.44 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 1y77 n LYS 134 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1y77 n LYS 164 N -2.36 0.00 -4.69 -1.58 4.81 -1.26 -4.87 118.16 108.21 1y77 n LYS 164 Ca -0.14 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.02 1y77 n LYS 164 Cb 0.74 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.65 1y77 n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1y77 s VAL 165 N -0.59 1.95 0.03 3.15 1.01 -1.16 -4.97 120.40 119.82 1y77 s VAL 165 Ca 0.00 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.33 1y77 s VAL 165 Cb 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1y77 s VAL 165 CO 0.00 0.23 0.83 0.12 0.00 0.00 0.00 175.10 176.28 1y77 s PHE 166 N -0.87 3.71 -0.42 5.22 5.36 -1.26 -1.87 117.98 127.86 1y77 s PHE 166 Ca 0.10 1.54 0.07 0.00 -0.96 0.00 0.00 56.93 57.68 1y77 s PHE 166 Cb -0.10 -2.92 0.23 0.00 -0.34 0.00 0.00 43.02 39.90 1y77 s PHE 166 CO 0.03 0.18 0.56 -0.89 -1.46 0.00 0.00 175.22 173.63 1y77 n ILE 167 N 3.17 -0.65 -2.88 3.12 5.41 0.11 -4.74 119.36 122.90 1y77 n ILE 167 Ca 0.00 -3.31 0.08 0.00 1.00 0.00 0.00 62.75 60.52 1y77 n ILE 167 Cb 0.50 -1.16 -0.02 0.00 -0.71 0.00 0.00 39.64 38.26 1y77 n ILE 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y77 n GLY 168 N 1.82 -1.62 3.16 7.39 0.00 -1.09 -4.45 105.19 110.40 1y77 n GLY 168 Ca 0.21 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 1y77 n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y77 s ARG 169 N -0.98 1.37 -0.45 1.61 0.52 -1.26 -1.53 118.95 118.22 1y77 s ARG 169 Ca 0.00 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 1y77 s ARG 169 Cb 0.00 -1.33 0.08 0.00 0.52 0.00 0.00 34.95 34.22 1y77 s ARG 169 CO 0.00 0.36 0.33 -1.17 0.02 0.00 0.00 175.30 174.85 1y77 s LEU 170 N -0.46 5.45 -0.29 2.53 2.96 0.66 -4.37 118.68 125.17 1y77 s LEU 170 Ca 0.06 -1.50 -0.37 0.00 -0.22 0.00 0.00 54.13 52.10 1y77 s LEU 170 Cb -0.07 -2.08 -0.13 0.00 0.50 0.00 0.00 46.19 44.42 1y77 s LEU 170 CO -0.00 -0.62 1.99 -0.81 -1.32 0.00 0.00 176.35 175.59 1y77 n PRO 171 N 5.04 1.23 -2.63 0.98 -0.04 -1.26 -2.75 135.00 135.57 1y77 n PRO 171 Ca -0.11 0.40 -0.32 0.00 -0.04 0.00 0.00 63.50 63.44 1y77 n PRO 171 Cb 0.43 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 1y77 n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1y77 s ILE 172 N 5.51 4.63 -0.04 0.52 1.01 -0.52 -4.90 121.20 127.41 1y77 s ILE 172 Ca 1.04 1.00 -0.12 0.00 0.00 0.00 0.00 60.65 62.56 1y77 s ILE 172 Cb -0.93 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 37.78 1y77 s ILE 172 CO 0.56 -0.58 0.32 -0.32 0.00 0.00 0.00 174.94 174.92 1y77 s MET 173 N -3.87 3.78 0.39 2.79 -2.45 -1.26 -4.39 119.30 114.28 1y77 s MET 173 Ca 0.56 0.24 -0.27 0.00 -1.25 0.00 0.00 55.69 54.97 1y77 s MET 173 Cb -0.10 -3.22 -0.09 0.00 1.25 0.00 0.00 34.83 32.67 1y77 s MET 173 CO 0.29 0.71 1.34 -0.51 1.05 0.00 0.00 175.02 177.90 1y77 s LEU 174 N -1.02 4.28 -0.21 4.11 1.02 0.24 -2.73 118.68 124.37 1y77 s LEU 174 Ca 0.21 2.74 0.00 0.00 0.02 0.00 0.00 54.13 57.10 1y77 s LEU 174 Cb -0.15 -3.81 0.00 0.00 0.02 0.00 0.00 46.19 42.25 1y77 s LEU 174 CO 0.10 -0.80 0.00 -1.14 0.02 0.00 0.00 176.35 174.54 1y77 n ARG 175 N 0.32 -1.09 -2.29 1.70 3.00 -1.26 -1.21 116.66 115.83 1y77 n ARG 175 Ca 0.02 0.39 -0.26 0.00 -0.00 0.00 0.00 57.85 58.00 1y77 n ARG 175 Cb 0.42 -4.27 0.14 0.00 0.00 0.00 0.00 32.46 28.76 1y77 n ARG 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1y77 s SER 176 N -2.14 3.80 0.33 6.15 1.04 -1.10 -4.65 113.70 117.11 1y77 s SER 176 Ca 0.00 -0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.44 1y77 s SER 176 Cb 0.00 -0.15 0.82 0.00 0.10 0.00 0.00 66.02 66.80 1y77 s SER 176 CO 0.00 -2.25 1.79 0.11 0.98 0.00 0.00 173.24 173.86 1y77 h LYS 177 N -1.03 0.66 -0.00 4.02 1.57 -1.95 -1.15 116.57 118.69 1y77 h LYS 177 Ca -0.40 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1y77 h LYS 177 Cb 1.25 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1y77 h LYS 177 CO 0.39 0.44 -0.09 0.09 -0.57 0.00 0.00 179.45 179.71 1y77 n ASN 178 N -4.72 0.13 -4.73 0.86 4.13 -1.26 -4.81 115.26 104.85 1y77 n ASN 178 Ca 0.23 0.16 -0.41 0.00 1.68 0.00 0.00 54.58 56.24 1y77 n ASN 178 Cb 0.62 -0.30 -0.04 0.00 -1.54 0.00 0.00 39.78 38.51 1y77 n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1y77 h TYR 180 N 5.94 0.02 -0.06 0.00 -1.99 -1.87 -1.96 116.97 117.06 1y77 h TYR 180 Ca -0.43 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.27 1y77 h TYR 180 Cb 1.21 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.92 1y77 h TYR 180 CO 0.65 0.01 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.66 1y77 h LEU 181 N 0.02 0.07 -0.72 3.88 3.38 -1.91 -2.43 115.31 117.61 1y77 h LEU 181 Ca 0.19 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1y77 h LEU 181 Cb 0.73 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1y77 h LEU 181 CO -0.01 0.19 0.38 0.77 0.09 0.00 0.00 178.44 179.86 1y77 h SER 182 N 0.08 0.53 0.03 -0.43 4.64 -1.57 -2.95 113.55 113.88 1y77 h SER 182 Ca 0.02 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1y77 h SER 182 Cb 0.23 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1y77 h SER 182 CO 0.01 0.32 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.73 1y77 h GLU 183 N 0.67 0.10 -6.42 4.77 5.08 -1.68 -3.47 114.58 113.63 1y77 h GLU 183 Ca 0.34 -0.15 -0.54 0.00 -1.00 0.00 0.00 59.36 58.01 1y77 h GLU 183 Cb 0.30 0.05 0.23 0.00 0.50 0.00 0.00 28.75 29.83 1y77 h GLU 183 CO -0.23 1.02 -1.19 0.00 -1.00 0.00 0.00 179.01 177.61 1y77 n ALA 184 N -2.60 -3.97 -4.50 3.43 0.00 -0.93 -5.04 120.51 106.90 1y77 n ALA 184 Ca -0.11 -0.66 -0.26 0.00 0.00 0.00 0.00 53.44 52.41 1y77 n ALA 184 Cb 0.55 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 1y77 n ALA 184 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1y77 n THR 185 N -3.11 0.00 0.00 0.00 -2.24 -1.26 -4.95 114.28 102.72 1y77 n THR 185 Ca 0.03 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 1y77 n THR 185 Cb 0.55 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1y77 n THR 185 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1y77 n GLU 186 N -1.11 0.00 -0.40 -0.78 4.07 -1.26 -0.86 120.64 120.30 1y77 n GLU 186 Ca -0.15 0.18 0.33 0.00 -0.06 0.00 0.00 57.16 57.46 1y77 n GLU 186 Cb 0.52 -0.70 0.60 0.00 -0.06 0.00 0.00 31.44 31.81 1y77 n GLU 186 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1y77 h SER 187 N 0.00 0.31 -0.09 4.31 4.64 -2.02 0.11 113.55 120.82 1y77 h SER 187 Ca 0.00 0.16 0.04 0.00 -0.47 0.00 0.00 61.79 61.51 1y77 h SER 187 Cb 0.00 0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1y77 h SER 187 CO 0.00 -0.19 -0.17 -0.78 -0.87 0.00 0.00 176.83 174.82 1y77 h ASP 188 N 0.14 -0.51 0.65 4.97 1.82 -1.69 -3.25 116.42 118.54 1y77 h ASP 188 Ca 0.79 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 57.49 1y77 h ASP 188 Cb 2.30 0.23 -0.01 0.00 0.68 0.00 0.00 39.33 42.53 1y77 h ASP 188 CO -0.49 -0.22 -0.46 -0.07 -1.61 0.00 0.00 179.24 176.39 1y77 h LEU 189 N -0.23 -1.21 -1.00 2.28 3.38 0.12 -2.95 115.31 115.71 1y77 h LEU 189 Ca 0.08 0.08 0.40 0.00 0.09 0.00 0.00 57.88 58.53 1y77 h LEU 189 Cb 0.35 0.37 -0.18 0.00 0.09 0.00 0.00 40.66 41.29 1y77 h LEU 189 CO -0.22 -0.68 0.48 1.88 0.09 0.00 0.00 178.44 179.99 1y77 h TYR 190 N -1.06 0.73 0.00 1.13 -1.99 -1.59 4.31 116.97 118.49 1y77 h TYR 190 Ca -0.09 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1y77 h TYR 190 Cb 0.87 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1y77 h TYR 190 CO -0.14 -0.47 0.00 1.63 -0.00 0.00 0.00 178.16 179.18 1y77 n LYS 191 N -5.28 0.09 -0.02 4.88 5.02 -1.11 -1.42 118.16 120.32 1y77 n LYS 191 Ca 0.36 0.20 0.08 0.00 -2.02 0.00 0.00 58.31 56.93 1y77 n LYS 191 Cb 1.22 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 34.57 1y77 n LYS 191 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1y77 n LEU 192 N -1.41 0.05 0.00 -0.35 4.77 1.41 -4.99 117.00 116.47 1y77 n LEU 192 Ca 0.05 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1y77 n LEU 192 Cb 0.15 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1y77 n LEU 192 CO 0.13 0.05 0.00 0.29 -1.33 0.00 0.00 177.39 176.53 1y77 n LYS 193 N -2.35 0.00 -2.04 3.23 5.02 -0.39 -4.78 118.16 116.85 1y77 n LYS 193 Ca -0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1y77 n LYS 193 Cb 0.64 -0.24 -0.03 0.00 -0.02 0.00 0.00 35.03 35.38 1y77 n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1y77 s GLU 194 N -0.60 4.26 0.23 1.97 0.41 -1.25 -4.75 118.70 118.96 1y77 s GLU 194 Ca 0.00 2.23 -0.30 0.00 -0.41 0.00 0.00 54.97 56.49 1y77 s GLU 194 Cb 0.00 -3.20 -0.09 0.00 -1.78 0.00 0.00 34.13 29.06 1y77 s GLU 194 CO 0.00 -0.53 1.34 0.00 -0.49 0.00 0.00 175.26 175.58 1y77 h PRO 196 N 5.08 -0.76 -0.40 0.00 0.13 -1.92 -2.34 132.00 131.79 1y77 h PRO 196 Ca -0.45 0.05 0.12 0.00 -0.87 0.00 0.00 66.00 64.84 1y77 h PRO 196 Cb 1.22 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.50 1y77 h PRO 196 CO 0.76 -0.50 0.93 0.74 -0.23 0.00 0.00 178.00 179.70 1y77 h PHE 197 N -0.78 0.00 -4.00 1.56 0.05 -2.02 -3.41 116.94 108.34 1y77 h PHE 197 Ca -0.03 0.00 -0.56 0.00 3.82 0.00 0.00 57.97 61.20 1y77 h PHE 197 Cb 0.70 0.00 0.15 0.00 2.00 0.00 0.00 35.95 38.80 1y77 h PHE 197 CO -0.21 0.00 0.52 -3.47 -0.18 0.00 0.00 178.31 174.97 1y77 n ASP 198 N -2.93 2.28 -0.05 2.17 2.03 -0.88 -4.92 116.55 114.25 1y77 n ASP 198 Ca 0.09 0.91 0.01 0.00 0.52 0.00 0.00 54.79 56.31 1y77 n ASP 198 Cb 1.07 -1.55 0.01 0.00 -0.72 0.00 0.00 41.12 39.92 1y77 n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1y77 n MET 199 N -1.35 -0.52 0.00 -0.67 0.00 -1.26 -5.04 117.12 108.27 1y77 n MET 199 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 57.70 57.18 1y77 n MET 199 Cb 0.46 -1.02 0.00 0.00 0.00 0.00 0.00 33.22 32.66 1y77 n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1y77 n GLY 200 N 0.03 0.69 0.00 3.17 0.00 -1.26 -4.87 105.19 102.95 1y77 n GLY 200 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1y77 n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y77 n GLY 201 N 0.00 0.73 3.55 -0.02 0.00 -0.35 -4.95 105.19 104.15 1y77 n GLY 201 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1y77 n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y77 s TYR 202 N -2.00 2.38 0.05 1.61 -0.85 -1.26 -4.80 117.35 112.48 1y77 s TYR 202 Ca 0.00 -0.59 0.01 0.00 -0.52 0.00 0.00 57.07 55.96 1y77 s TYR 202 Cb 0.00 -1.48 0.01 0.00 0.38 0.00 0.00 41.96 40.86 1y77 s TYR 202 CO 0.00 0.49 0.06 1.19 -1.52 0.00 0.00 175.55 175.77 1y77 n PHE 203 N -0.83 -3.00 -3.29 -3.49 3.01 0.01 -0.59 117.46 109.28 1y77 n PHE 203 Ca -0.05 -0.16 -0.14 0.00 1.01 0.00 0.00 57.45 58.11 1y77 n PHE 203 Cb 0.65 -0.04 -0.06 0.00 -0.01 0.00 0.00 39.48 40.01 1y77 n PHE 203 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1y77 s ILE 204 N 0.62 -0.44 0.37 4.37 1.01 -1.26 -2.98 121.20 122.88 1y77 s ILE 204 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1y77 s ILE 204 Cb -0.00 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 1y77 s ILE 204 CO 0.03 -0.49 0.53 -0.63 0.00 0.00 0.00 174.94 174.38 1y77 s ILE 205 N 1.33 4.24 0.00 2.92 1.09 -0.95 -0.98 121.20 128.86 1y77 s ILE 205 Ca 0.19 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1y77 s ILE 205 Cb -0.11 -3.51 0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1y77 s ILE 205 CO -0.04 -0.26 0.00 0.59 -0.10 0.00 0.00 174.94 175.12 1y77 n ASN 206 N -1.78 0.00 0.00 3.58 3.02 0.52 -1.08 115.26 119.51 1y77 n ASN 206 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1y77 n ASN 206 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1y77 n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y77 n GLY 207 N -0.14 2.18 3.77 7.41 0.00 0.03 -4.70 105.19 113.74 1y77 n GLY 207 Ca 0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1y77 n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y77 s SER 208 N 0.00 5.86 -0.80 1.61 1.04 -0.24 -4.50 113.70 116.66 1y77 s SER 208 Ca 0.00 2.34 -0.26 0.00 0.48 0.00 0.00 55.95 58.51 1y77 s SER 208 Cb 0.00 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1y77 s SER 208 CO 0.00 -1.14 1.32 -1.61 0.98 0.00 0.00 173.24 172.79 1y77 s GLU 209 N -2.92 3.27 -0.05 4.02 2.02 -1.26 -2.24 118.70 121.53 1y77 s GLU 209 Ca 0.68 -0.41 -0.17 0.00 0.02 0.00 0.00 54.97 55.09 1y77 s GLU 209 Cb -0.29 -4.42 -0.05 0.00 0.10 0.00 0.00 34.13 29.47 1y77 s GLU 209 CO 0.34 -2.16 0.45 0.15 0.02 0.00 0.00 175.26 174.06 1y77 s LYS 210 N 5.59 4.17 -0.20 1.61 -0.14 -1.16 -1.00 119.74 128.61 1y77 s LYS 210 Ca 0.37 0.45 -0.02 0.00 -1.36 0.00 0.00 55.97 55.42 1y77 s LYS 210 Cb -0.06 -3.33 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1y77 s LYS 210 CO 0.10 0.41 -0.11 0.08 -0.76 0.00 0.00 175.35 175.07 1y77 s VAL 211 N -0.20 2.84 -0.17 3.17 1.01 -0.65 -0.81 120.40 125.59 1y77 s VAL 211 Ca 0.25 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1y77 s VAL 211 Cb -0.16 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1y77 s VAL 211 CO 0.12 0.48 0.89 -0.76 0.00 0.00 0.00 175.10 175.83 1y77 s LEU 212 N 1.33 4.18 0.03 3.92 1.43 -1.26 -1.87 118.68 126.43 1y77 s LEU 212 Ca 0.04 1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 54.25 1y77 s LEU 212 Cb -0.14 -3.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 1y77 s LEU 212 CO -0.06 -0.45 0.46 -0.63 0.23 0.00 0.00 176.35 175.90 1y77 s ILE 213 N 2.27 4.93 0.13 -0.59 -1.09 -1.26 -4.73 121.20 120.88 1y77 s ILE 213 Ca 0.41 0.95 -0.35 0.00 -2.23 0.00 0.00 60.65 59.43 1y77 s ILE 213 Cb -0.17 -3.77 -0.15 0.00 -1.58 0.00 0.00 42.46 36.79 1y77 s ILE 213 CO 0.13 0.56 1.42 0.00 -1.23 0.00 0.00 174.94 175.82 1y77 n ALA 214 N 1.76 0.10 -3.74 9.38 0.00 -1.10 -4.78 120.51 122.13 1y77 n ALA 214 Ca -0.13 0.48 -0.36 0.00 0.00 0.00 0.00 53.44 53.43 1y77 n ALA 214 Cb 0.52 -2.19 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 1y77 n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y77 s GLN 215 N 0.50 2.36 0.34 0.00 -1.52 -0.90 0.87 119.66 121.29 1y77 s GLN 215 Ca 0.80 -2.27 -0.29 0.00 -1.95 0.00 0.00 55.36 51.65 1y77 s GLN 215 Cb -0.82 -3.68 -0.11 0.00 -0.22 0.00 0.00 33.01 28.18 1y77 s GLN 215 CO 0.44 -1.14 1.55 -2.00 -0.25 0.00 0.00 175.29 173.89 1y77 s GLU 216 N 0.39 4.11 0.16 2.91 2.12 0.34 -2.86 118.70 125.87 1y77 s GLU 216 Ca 0.14 2.59 -0.18 0.00 0.36 0.00 0.00 54.97 57.88 1y77 s GLU 216 Cb -0.21 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.23 1y77 s GLU 216 CO -0.04 -0.60 0.49 -0.98 -0.54 0.00 0.00 175.26 173.60 1y77 s ARG 217 N -1.33 1.24 -0.06 4.30 1.04 -0.41 -4.49 118.95 119.24 1y77 s ARG 217 Ca 0.58 -0.73 -0.30 0.00 -1.04 0.00 0.00 55.73 54.24 1y77 s ARG 217 Cb -0.47 0.51 -0.04 0.00 -2.04 0.00 0.00 34.95 32.91 1y77 s ARG 217 CO 0.56 -0.52 1.35 0.45 -0.04 0.00 0.00 175.30 177.11 1y77 s SER 218 N -2.82 6.90 0.90 -2.89 0.15 -1.26 0.15 113.70 114.82 1y77 s SER 218 Ca 0.05 1.96 -0.14 0.00 0.70 0.00 0.00 55.95 58.52 1y77 s SER 218 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 1y77 s SER 218 CO -0.08 -0.72 0.19 0.00 1.20 0.00 0.00 173.24 173.82 1y77 n ALA 219 N 5.82 -2.93 -2.40 5.45 0.00 -0.20 -4.81 120.51 121.44 1y77 n ALA 219 Ca 0.13 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1y77 n ALA 219 Cb 0.44 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 1y77 n ALA 219 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1y77 s GLY 220 N -1.68 2.07 -1.04 0.00 0.00 -1.26 -4.77 107.32 100.64 1y77 s GLY 220 Ca 0.55 -1.89 -0.10 0.00 0.00 0.00 0.00 44.72 43.28 1y77 s GLY 220 CO 0.68 -1.75 0.85 0.70 0.00 0.00 0.00 173.10 173.59 1y77 n ASN 221 N -1.33 -6.28 -3.75 1.64 3.02 0.86 -4.92 115.26 104.49 1y77 n ASN 221 Ca -0.00 -0.76 -0.13 0.00 -0.03 0.00 0.00 54.58 53.66 1y77 n ASN 221 Cb 0.62 -4.52 -0.10 0.00 -0.61 0.00 0.00 39.78 35.17 1y77 n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1y77 s ILE 222 N -3.37 0.02 -0.11 2.41 1.01 -1.26 -4.39 121.20 115.52 1y77 s ILE 222 Ca 0.41 -0.17 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 1y77 s ILE 222 Cb -0.09 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 1y77 s ILE 222 CO 0.79 -0.10 0.27 -0.69 0.00 0.00 0.00 174.94 175.21 1y77 s VAL 223 N -0.39 5.30 -0.05 2.92 1.01 -1.26 -3.84 120.40 124.10 1y77 s VAL 223 Ca -0.05 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 1y77 s VAL 223 Cb -0.03 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1y77 s VAL 223 CO 0.02 0.51 0.23 -1.10 0.00 0.00 0.00 175.10 174.76 1y77 s GLN 224 N -0.36 0.45 -0.06 2.72 -0.21 -0.94 -4.96 119.66 116.30 1y77 s GLN 224 Ca 0.17 -0.01 0.01 0.00 0.02 0.00 0.00 55.36 55.55 1y77 s GLN 224 Cb -0.13 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.05 1y77 s GLN 224 CO 0.06 -0.10 -0.06 0.14 -2.12 0.00 0.00 175.29 173.21 1y77 s VAL 225 N -0.69 3.74 -0.04 1.09 -7.23 -1.26 0.32 120.40 116.34 1y77 s VAL 225 Ca -0.08 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1y77 s VAL 225 Cb -0.04 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.37 1y77 s VAL 225 CO 0.02 0.57 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.96 1y77 s PHE 226 N -0.84 0.78 0.09 2.82 2.99 0.27 -2.38 117.98 121.71 1y77 s PHE 226 Ca 0.13 -0.21 -0.30 0.00 0.00 0.00 0.00 56.93 56.55 1y77 s PHE 226 Cb -0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 43.02 42.21 1y77 s PHE 226 CO 0.02 -0.15 1.02 0.15 -0.00 0.00 0.00 175.22 176.26 1y77 s LYS 227 N 0.65 4.61 0.02 0.44 1.02 -1.26 -2.04 119.74 123.18 1y77 s LYS 227 Ca -0.09 1.54 0.02 0.00 0.02 0.00 0.00 55.97 57.45 1y77 s LYS 227 Cb -0.12 -3.37 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1y77 s LYS 227 CO 0.00 0.07 0.03 0.15 -0.92 0.00 0.00 175.35 174.68 1y77 s LYS 228 N 0.29 2.84 0.41 1.68 1.02 -0.76 -5.02 119.74 120.20 1y77 s LYS 228 Ca 0.50 -0.62 -0.12 0.00 0.02 0.00 0.00 55.97 55.75 1y77 s LYS 228 Cb -0.25 -2.71 -0.10 0.00 -0.52 0.00 0.00 37.83 34.25 1y77 s LYS 228 CO 0.30 0.61 -0.18 0.00 -0.92 0.00 0.00 175.35 175.16 1y77 n ALA 229 N 1.09 -2.98 0.03 5.17 0.00 -1.26 -4.83 120.51 117.73 1y77 n ALA 229 Ca -0.13 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.25 1y77 n ALA 229 Cb 0.52 -0.90 0.47 0.00 0.00 0.00 0.00 19.45 19.54 1y77 n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 h ALA 230 N -0.15 1.79 -1.95 0.00 0.00 -1.97 -3.32 119.26 113.66 1y77 h ALA 230 Ca -0.28 -0.02 -0.73 0.00 0.00 0.00 0.00 54.91 53.88 1y77 h ALA 230 Cb 0.95 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 18.42 1y77 h ALA 230 CO 0.25 0.19 0.97 -1.25 0.00 0.00 0.00 179.25 179.41 1y77 s PRO 231 N -5.42 3.87 0.00 0.00 0.04 -1.26 -4.91 135.00 127.32 1y77 s PRO 231 Ca -0.08 -2.30 0.00 0.00 0.04 0.00 0.00 61.00 58.67 1y77 s PRO 231 Cb 0.18 -4.91 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1y77 s PRO 231 CO 0.72 -1.69 0.00 0.45 0.04 0.00 0.00 177.00 176.52 1y77 n SER 232 N 5.63 0.00 0.05 6.66 2.88 -1.25 -5.05 113.62 122.55 1y77 n SER 232 Ca 0.29 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 1y77 n SER 232 Cb 0.45 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1y77 n SER 232 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1y77 h PRO 233 N 0.00 0.39 -6.61 -1.46 0.13 -1.91 -3.44 132.00 119.10 1y77 h PRO 233 Ca 0.00 -0.33 -0.52 0.00 -0.87 0.00 0.00 66.00 64.28 1y77 h PRO 233 Cb 0.00 0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.21 1y77 h PRO 233 CO 0.00 0.97 0.55 0.42 -0.23 0.00 0.00 178.00 179.71 1y77 s ILE 234 N -3.59 3.74 0.00 -3.56 1.09 -1.26 -2.03 121.20 115.59 1y77 s ILE 234 Ca -0.06 1.40 0.00 0.00 -1.10 0.00 0.00 60.65 60.89 1y77 s ILE 234 Cb 0.10 -3.89 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 1y77 s ILE 234 CO 0.84 0.19 0.00 -0.24 -0.10 0.00 0.00 174.94 175.63 1y77 n SER 235 N 2.92 0.00 -4.32 3.58 2.88 -1.14 -4.66 113.62 112.87 1y77 n SER 235 Ca 0.06 0.22 -0.18 0.00 -1.33 0.00 0.00 58.87 57.64 1y77 n SER 235 Cb 0.45 -0.41 -0.10 0.00 -0.75 0.00 0.00 64.21 63.40 1y77 n SER 235 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1y77 s HIS 236 N -0.81 1.60 0.02 0.66 3.76 -1.26 -1.84 115.29 117.42 1y77 s HIS 236 Ca 0.00 -0.60 -0.09 0.00 -0.15 0.00 0.00 55.06 54.22 1y77 s HIS 236 Cb 0.00 -0.77 0.00 0.00 1.11 0.00 0.00 32.58 32.93 1y77 s HIS 236 CO 0.00 0.28 0.18 0.08 -0.85 0.00 0.00 174.74 174.43 1y77 s VAL 237 N -2.89 0.10 -0.16 -0.90 1.01 -0.87 -3.43 120.40 113.26 1y77 s VAL 237 Ca 0.20 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1y77 s VAL 237 Cb -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1y77 s VAL 237 CO 0.05 -0.45 -0.19 0.00 0.00 0.00 0.00 175.10 174.51 1y77 s ALA 238 N -2.09 2.35 0.31 5.51 0.00 -1.08 0.93 121.76 127.70 1y77 s ALA 238 Ca -0.09 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 50.82 1y77 s ALA 238 Cb -0.03 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1y77 s ALA 238 CO -0.01 -0.16 0.24 -1.21 0.00 0.00 0.00 175.76 174.62 1y77 s GLU 239 N 1.01 2.73 -0.30 0.00 2.02 0.15 -2.79 118.70 121.52 1y77 s GLU 239 Ca -0.02 -1.26 -0.10 0.00 0.02 0.00 0.00 54.97 53.61 1y77 s GLU 239 Cb -0.15 -2.46 0.15 0.00 0.10 0.00 0.00 34.13 31.77 1y77 s GLU 239 CO -0.05 0.19 0.74 -1.50 0.02 0.00 0.00 175.26 174.65 1y77 s ILE 240 N -2.27 -0.86 -0.56 -1.63 2.07 -1.20 -2.22 121.20 114.52 1y77 s ILE 240 Ca 0.38 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.39 1y77 s ILE 240 Cb -0.06 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.58 1y77 s ILE 240 CO 0.25 0.00 0.92 -0.13 -1.91 0.00 0.00 174.94 174.08 1y77 s ARG 241 N 2.79 3.28 -0.15 3.50 0.52 -1.26 -2.94 118.95 124.69 1y77 s ARG 241 Ca -0.01 -0.39 -0.15 0.00 -0.52 0.00 0.00 55.73 54.66 1y77 s ARG 241 Cb -0.11 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.23 1y77 s ARG 241 CO -0.19 -1.52 0.34 -1.54 0.02 0.00 0.00 175.30 172.41 1y77 s SER 242 N 2.95 6.49 -0.25 0.23 1.04 -1.25 0.30 113.70 123.22 1y77 s SER 242 Ca 0.28 0.58 -0.18 0.00 0.48 0.00 0.00 55.95 57.11 1y77 s SER 242 Cb -0.14 -2.21 0.07 0.00 0.10 0.00 0.00 66.02 63.85 1y77 s SER 242 CO 0.17 0.07 0.63 0.00 0.98 0.00 0.00 173.24 175.10 1y77 s ALA 243 N 0.52 -1.65 -0.06 5.32 0.00 -1.26 -3.67 121.76 120.96 1y77 s ALA 243 Ca 0.19 2.05 -0.29 0.00 0.00 0.00 0.00 51.96 53.91 1y77 s ALA 243 Cb -0.13 -1.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.71 1y77 s ALA 243 CO 0.05 -0.33 1.86 -0.51 0.00 0.00 0.00 175.76 176.83 1y77 s LEU 244 N 1.06 4.20 0.52 0.00 1.43 -1.26 -4.87 118.68 119.76 1y77 s LEU 244 Ca -0.06 2.30 0.34 0.00 -1.03 0.00 0.00 54.13 55.67 1y77 s LEU 244 Cb -0.05 -3.53 1.48 0.00 0.03 0.00 0.00 46.19 44.12 1y77 s LEU 244 CO -0.10 -1.16 1.79 -0.33 0.23 0.00 0.00 176.35 176.78 1y77 h GLU 245 N 10.88 0.07 -2.47 1.70 5.08 -1.99 -3.39 114.58 124.45 1y77 h GLU 245 Ca -0.43 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.85 1y77 h GLU 245 Cb 1.21 -0.02 -0.26 0.00 0.50 0.00 0.00 28.75 30.18 1y77 h GLU 245 CO 0.96 0.04 -0.29 0.15 -1.00 0.00 0.00 179.01 178.87 1y77 s LYS 246 N -5.05 0.40 0.00 2.33 1.02 -1.26 -5.05 119.74 112.13 1y77 s LYS 246 Ca -0.06 1.01 0.00 0.00 0.02 0.00 0.00 55.97 56.95 1y77 s LYS 246 Cb 0.24 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.80 1y77 s LYS 246 CO 0.81 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 1y77 n GLY 247 N 4.96 1.46 4.42 -3.33 0.00 -1.26 -4.85 105.19 106.59 1y77 n GLY 247 Ca -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1y77 n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y77 n SER 248 N 0.00 0.00 -3.87 1.61 2.88 -1.26 -4.56 113.62 108.43 1y77 n SER 248 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1y77 n SER 248 Cb 0.00 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 1y77 n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1y77 n ARG 249 N -0.11 -1.00 -1.05 -1.46 1.74 -1.26 -4.95 116.66 108.57 1y77 n ARG 249 Ca 0.00 0.50 -0.30 0.00 -0.77 0.00 0.00 57.85 57.27 1y77 n ARG 249 Cb 0.00 -2.66 0.14 0.00 -1.02 0.00 0.00 32.46 28.92 1y77 n ARG 249 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1y77 s PHE 250 N -3.24 2.16 -0.40 -1.55 2.99 -1.26 -4.85 117.98 111.83 1y77 s PHE 250 Ca 0.23 1.47 0.09 0.00 0.00 0.00 0.00 56.93 58.72 1y77 s PHE 250 Cb -0.12 -3.16 0.32 0.00 0.00 0.00 0.00 43.02 40.06 1y77 s PHE 250 CO 0.92 -2.43 0.79 -0.89 -0.00 0.00 0.00 175.22 173.61 1y77 n ILE 251 N -3.94 -0.22 -3.40 0.64 5.41 -1.26 -4.20 119.36 112.40 1y77 n ILE 251 Ca 0.08 -3.55 -0.37 0.00 1.00 0.00 0.00 62.75 59.91 1y77 n ILE 251 Cb 0.54 -0.06 -0.06 0.00 -0.71 0.00 0.00 39.64 39.35 1y77 n ILE 251 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1y77 s SER 252 N -1.88 6.60 0.19 4.38 1.04 -1.24 -4.97 113.70 117.83 1y77 s SER 252 Ca 0.34 0.71 -0.18 0.00 0.48 0.00 0.00 55.95 57.31 1y77 s SER 252 Cb 0.29 -2.25 -0.08 0.00 0.10 0.00 0.00 66.02 64.09 1y77 s SER 252 CO -0.09 0.04 0.66 -0.89 0.98 0.00 0.00 173.24 173.94 1y77 s THR 253 N 0.53 4.67 -0.22 2.02 2.01 -1.26 -3.74 115.64 119.65 1y77 s THR 253 Ca 0.23 1.13 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 1y77 s THR 253 Cb -0.14 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.57 1y77 s THR 253 CO 0.08 0.23 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.91 1y77 s LEU 254 N -1.94 2.77 -0.08 4.42 2.96 -1.15 -4.53 118.68 121.13 1y77 s LEU 254 Ca 0.41 -0.75 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1y77 s LEU 254 Cb -0.16 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1y77 s LEU 254 CO 0.20 -0.07 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.99 1y77 s GLN 255 N 1.32 2.84 -0.41 1.98 -0.21 -1.21 -3.28 119.66 120.70 1y77 s GLN 255 Ca 0.02 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 54.86 1y77 s GLN 255 Cb -0.15 -2.60 0.12 0.00 1.00 0.00 0.00 33.01 31.37 1y77 s GLN 255 CO -0.07 0.60 0.17 0.08 -2.12 0.00 0.00 175.29 173.95 1y77 s VAL 256 N -0.64 1.77 0.00 1.09 1.01 -1.12 -0.77 120.40 121.74 1y77 s VAL 256 Ca 0.10 -2.45 0.00 0.00 0.00 0.00 0.00 61.98 59.63 1y77 s VAL 256 Cb -0.11 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1y77 s VAL 256 CO 0.02 -0.76 0.00 0.29 0.00 0.00 0.00 175.10 174.64 1y77 n LYS 257 N 3.87 1.89 0.00 2.72 5.02 0.41 -2.62 118.16 129.44 1y77 n LYS 257 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1y77 n LYS 257 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1y77 n LYS 257 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1y77 n LEU 258 N 0.00 0.00 -3.97 -0.35 7.94 -1.22 -4.31 117.00 115.09 1y77 n LEU 258 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 1y77 n LEU 258 Cb 0.00 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.02 1y77 n LEU 258 CO 0.00 0.00 -0.86 -1.22 -1.11 0.00 0.00 177.39 174.20 1y77 n TYR 259 N 0.00 -1.52 -1.90 1.96 4.02 -0.71 -2.90 117.16 116.11 1y77 n TYR 259 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 57.90 58.35 1y77 n TYR 259 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 39.34 37.92 1y77 n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y77 n GLY 260 N 2.93 -5.19 0.00 2.72 0.00 -0.86 -4.22 105.19 100.57 1y77 n GLY 260 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1y77 n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y77 n ARG 261 N 1.63 -0.83 -2.22 1.61 5.12 -1.25 -4.45 116.66 116.27 1y77 n ARG 261 Ca 0.00 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.50 1y77 n ARG 261 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1y77 n ARG 261 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1y77 s GLU 262 N -2.68 3.33 0.00 5.56 2.12 -1.26 -3.80 118.70 121.97 1y77 s GLU 262 Ca 0.00 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.26 1y77 s GLU 262 Cb 0.00 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.25 1y77 s GLU 262 CO 0.00 -1.87 0.00 0.41 -0.54 0.00 0.00 175.26 173.26 1y77 n GLY 263 N 5.29 2.59 2.52 -1.50 0.00 -1.26 -5.09 105.19 107.74 1y77 n GLY 263 Ca 0.18 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1y77 n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y77 n SER 264 N 0.00 -0.89 -4.70 1.61 3.41 -1.25 -4.81 113.62 106.99 1y77 n SER 264 Ca 0.00 0.84 -0.42 0.00 -0.26 0.00 0.00 58.87 59.03 1y77 n SER 264 Cb 0.00 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.22 1y77 n SER 264 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y77 s SER 265 N -0.71 6.86 0.00 4.04 1.04 -1.26 -4.34 113.70 119.32 1y77 s SER 265 Ca 0.48 2.19 0.00 0.00 0.48 0.00 0.00 55.95 59.10 1y77 s SER 265 Cb -0.70 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 62.85 1y77 s SER 265 CO 0.42 -0.68 0.00 0.00 0.98 0.00 0.00 173.24 173.96 1y77 n ALA 266 N 4.78 -1.02 -2.40 5.32 0.00 -1.26 -4.99 120.51 120.93 1y77 n ALA 266 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1y77 n ALA 266 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1y77 n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y77 n ARG 267 N -0.48 3.41 -1.40 0.00 1.74 -1.26 -4.52 116.66 114.14 1y77 n ARG 267 Ca 0.00 -3.43 -0.31 0.00 -0.77 0.00 0.00 57.85 53.34 1y77 n ARG 267 Cb 0.20 -3.06 0.07 0.00 -1.02 0.00 0.00 32.46 28.66 1y77 n ARG 267 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1y77 s THR 268 N 1.42 3.64 -0.18 0.55 -1.32 -1.26 -4.71 115.64 113.78 1y77 s THR 268 Ca 0.43 0.53 0.01 0.00 -1.21 0.00 0.00 61.69 61.45 1y77 s THR 268 Cb 0.07 -3.14 0.02 0.00 -1.51 0.00 0.00 72.50 67.95 1y77 s THR 268 CO -0.01 -0.70 -0.17 -0.63 -2.21 0.00 0.00 174.62 170.91 1y77 s ILE 269 N -2.97 1.91 0.25 5.08 1.01 -1.26 -1.74 121.20 123.48 1y77 s ILE 269 Ca 0.60 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1y77 s ILE 269 Cb -0.16 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 1y77 s ILE 269 CO 0.56 0.46 -0.12 -0.54 0.00 0.00 0.00 174.94 175.29 1y77 s LYS 270 N 1.34 1.50 0.01 2.79 1.02 -1.26 -2.80 119.74 122.34 1y77 s LYS 270 Ca 0.04 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.32 1y77 s LYS 270 Cb -0.14 -1.29 -0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1y77 s LYS 270 CO -0.12 0.16 -0.02 0.00 -0.92 0.00 0.00 175.35 174.46 1y77 s ALA 271 N -2.87 0.14 -0.14 5.17 0.00 0.97 0.15 121.76 125.19 1y77 s ALA 271 Ca 0.27 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1y77 s ALA 271 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1y77 s ALA 271 CO 0.11 -0.03 0.16 0.99 0.00 0.00 0.00 175.76 176.98 1y77 s THR 272 N -0.55 5.45 0.03 0.00 2.01 0.05 -2.13 115.64 120.50 1y77 s THR 272 Ca -0.05 0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.29 1y77 s THR 272 Cb -0.04 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1y77 s THR 272 CO -0.00 0.56 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.47 1y77 s LEU 273 N -0.60 2.15 0.45 4.42 1.43 -1.26 -3.29 118.68 121.96 1y77 s LEU 273 Ca 0.14 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 1y77 s LEU 273 Cb -0.12 -1.30 -0.10 0.00 0.03 0.00 0.00 46.19 44.70 1y77 s LEU 273 CO 0.03 0.27 1.00 -0.81 0.23 0.00 0.00 176.35 177.08 1y77 n PRO 274 N 1.92 1.30 -1.74 1.29 -0.04 -1.26 -1.98 135.00 134.50 1y77 n PRO 274 Ca -0.17 0.47 -0.17 0.00 -0.04 0.00 0.00 63.50 63.59 1y77 n PRO 274 Cb 0.52 -2.07 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1y77 n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1y77 n TYR 275 N -0.65 -0.23 -3.94 0.54 4.02 -1.26 -4.98 117.16 110.65 1y77 n TYR 275 Ca 0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.69 1y77 n TYR 275 Cb 0.40 -3.11 -0.16 0.00 -0.02 0.00 0.00 39.34 36.45 1y77 n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1y77 s ILE 276 N -2.71 1.41 0.48 -0.72 1.01 -0.84 -5.03 121.20 114.80 1y77 s ILE 276 Ca 0.00 -0.94 0.26 0.00 0.00 0.00 0.00 60.65 59.96 1y77 s ILE 276 Cb 0.00 -1.59 0.29 0.00 0.01 0.00 0.00 42.46 41.17 1y77 s ILE 276 CO 0.00 0.06 2.12 0.11 0.00 0.00 0.00 174.94 177.23 1y77 h LYS 277 N 8.02 0.00 -5.48 2.79 1.57 -1.91 -3.43 116.57 118.13 1y77 h LYS 277 Ca -0.23 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.91 1y77 h LYS 277 Cb 1.09 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.27 1y77 h LYS 277 CO 0.43 0.09 -0.57 -1.14 -0.57 0.00 0.00 179.45 177.69 1y77 s GLN 278 N -4.42 2.01 0.73 3.15 0.74 -1.26 -5.15 119.66 115.46 1y77 s GLN 278 Ca -0.04 -2.19 -0.06 0.00 0.05 0.00 0.00 55.36 53.12 1y77 s GLN 278 Cb 0.14 -1.54 0.09 0.00 1.10 0.00 0.00 33.01 32.81 1y77 s GLN 278 CO 0.59 -0.16 1.04 -0.51 -0.55 0.00 0.00 175.29 175.70 1y77 s ASP 279 N -3.75 4.49 -0.08 6.67 1.01 -1.26 -4.70 116.67 119.04 1y77 s ASP 279 Ca 0.26 0.20 -0.06 0.00 0.71 0.00 0.00 52.55 53.66 1y77 s ASP 279 Cb 0.07 -0.72 0.03 0.00 1.01 0.00 0.00 42.92 43.31 1y77 s ASP 279 CO 0.13 -1.79 0.21 -0.63 0.21 0.00 0.00 175.17 173.30 1y77 s ILE 280 N -3.28 -0.02 -0.15 0.77 1.01 -0.91 -4.96 121.20 113.67 1y77 s ILE 280 Ca 0.63 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.06 1y77 s ILE 280 Cb -0.08 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1y77 s ILE 280 CO 0.45 0.03 1.42 -2.16 0.00 0.00 0.00 174.94 174.68 1y77 s PRO 281 N 0.61 4.14 0.41 2.79 0.04 -1.26 -0.02 135.00 141.72 1y77 s PRO 281 Ca -0.04 1.79 0.23 0.00 0.04 0.00 0.00 61.00 63.02 1y77 s PRO 281 Cb -0.06 -3.87 0.81 0.00 0.04 0.00 0.00 34.50 31.42 1y77 s PRO 281 CO -0.03 -0.85 0.96 0.44 0.04 0.00 0.00 177.00 177.56 1y77 n ILE 282 N 5.59 0.00 0.00 0.56 -5.35 -1.12 -0.99 119.36 118.04 1y77 n ILE 282 Ca 0.16 0.93 0.00 0.00 -0.27 0.00 0.00 62.75 63.56 1y77 n ILE 282 Cb 0.44 -1.62 0.00 0.00 -1.74 0.00 0.00 39.64 36.72 1y77 n ILE 282 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1y77 n VAL 283 N -2.85 0.00 -0.34 7.28 0.31 -1.26 -0.90 118.33 120.56 1y77 n VAL 283 Ca 0.21 1.39 0.31 0.00 -0.01 0.00 0.00 64.34 66.24 1y77 n VAL 283 Cb 1.18 -2.39 0.57 0.00 -0.91 0.00 0.00 33.84 32.28 1y77 n VAL 283 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1y77 h ILE 284 N 0.00 0.10 -0.64 2.52 2.04 -1.42 2.81 117.51 122.92 1y77 h ILE 284 Ca 0.00 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1y77 h ILE 284 Cb 0.00 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 1y77 h ILE 284 CO 0.00 0.02 0.19 0.40 0.00 0.00 0.00 178.15 178.76 1y77 h ILE 285 N 0.11 1.24 -0.28 -0.67 2.04 -1.52 0.14 117.51 118.56 1y77 h ILE 285 Ca 0.81 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 65.68 1y77 h ILE 285 Cb 2.14 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1y77 h ILE 285 CO -0.67 0.33 -0.41 -0.26 0.00 0.00 0.00 178.15 177.14 1y77 h PHE 286 N 0.95 0.81 0.00 1.37 0.05 0.69 -2.25 116.94 118.56 1y77 h PHE 286 Ca 0.21 -0.24 -0.17 0.00 3.82 0.00 0.00 57.97 61.59 1y77 h PHE 286 Cb 0.29 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.04 1y77 h PHE 286 CO 0.02 0.98 -0.81 0.00 -0.18 0.00 0.00 178.31 178.32 1y77 h ARG 287 N 0.56 0.00 0.00 1.51 3.08 -0.82 -2.00 114.38 116.71 1y77 h ARG 287 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1y77 h ARG 287 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1y77 h ARG 287 CO 0.09 0.81 0.00 0.00 -1.07 0.00 0.00 179.97 179.80 1y77 n ALA 288 N -2.38 1.75 -0.35 0.04 0.00 0.45 -1.72 120.51 118.30 1y77 n ALA 288 Ca -0.01 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.56 1y77 n ALA 288 Cb 0.78 -1.35 0.33 0.00 0.00 0.00 0.00 19.45 19.21 1y77 n ALA 288 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y77 n LEU 289 N -1.96 4.13 0.00 0.00 4.77 -0.86 -4.82 117.00 118.26 1y77 n LEU 289 Ca 0.03 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 1y77 n LEU 289 Cb 0.23 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1y77 n LEU 289 CO 0.19 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1y77 n GLY 290 N 1.39 0.40 2.66 -0.72 0.00 -0.70 -4.73 105.19 103.48 1y77 n GLY 290 Ca 0.24 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1y77 n GLY 290 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y77 n ILE 291 N -3.65 1.12 -0.03 -0.61 5.41 -0.79 -5.00 119.36 115.80 1y77 n ILE 291 Ca 0.00 -4.63 -0.12 0.00 1.00 0.00 0.00 62.75 59.00 1y77 n ILE 291 Cb 0.34 -2.06 -0.07 0.00 -0.71 0.00 0.00 39.64 37.15 1y77 n ILE 291 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1y77 h ILE 292 N 4.00 1.25 -3.84 1.39 2.04 -1.81 -3.26 117.51 117.29 1y77 h ILE 292 Ca 0.18 -0.81 -0.48 0.00 1.00 0.00 0.00 64.86 64.75 1y77 h ILE 292 Cb 0.77 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1y77 h ILE 292 CO 0.66 0.23 0.34 -2.16 0.00 0.00 0.00 178.15 177.22 1y77 s PRO 293 N -4.97 4.65 1.35 2.37 0.04 -1.26 -4.90 135.00 132.28 1y77 s PRO 293 Ca -0.14 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.05 1y77 s PRO 293 Cb 0.05 -2.93 0.34 0.00 0.04 0.00 0.00 34.50 32.00 1y77 s PRO 293 CO 0.70 0.35 0.97 -0.51 0.04 0.00 0.00 177.00 178.55 1y77 s ASP 294 N -1.50 -0.46 0.00 6.66 -0.00 -1.26 -2.38 116.67 117.73 1y77 s ASP 294 Ca 0.47 0.95 0.00 0.00 -0.00 0.00 0.00 52.55 53.97 1y77 s ASP 294 Cb -0.21 -1.38 0.00 0.00 -0.00 0.00 0.00 42.92 41.33 1y77 s ASP 294 CO 0.26 -5.01 0.00 0.61 -0.00 0.00 0.00 175.17 171.03 1y77 n GLY 295 N 0.99 0.36 0.09 0.21 0.00 -1.26 -4.08 105.19 101.50 1y77 n GLY 295 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1y77 n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1y77 h GLU 296 N 0.00 0.18 -0.47 1.61 4.81 -1.91 -2.29 114.58 116.51 1y77 h GLU 296 Ca 0.00 -0.30 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 1y77 h GLU 296 Cb 0.00 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1y77 h GLU 296 CO 0.00 1.13 -0.24 0.82 -0.73 0.00 0.00 179.01 179.99 1y77 h ILE 297 N 0.05 1.27 0.00 2.32 2.04 -1.62 -2.50 117.51 119.07 1y77 h ILE 297 Ca -0.10 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1y77 h ILE 297 Cb 1.91 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1y77 h ILE 297 CO 0.18 0.48 -0.12 -0.07 0.00 0.00 0.00 178.15 178.63 1y77 h LEU 298 N 0.85 0.00 -0.68 1.44 -0.00 -1.83 -2.32 115.31 112.76 1y77 h LEU 298 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.84 1y77 h LEU 298 Cb 0.82 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 1y77 h LEU 298 CO 0.07 0.12 -0.61 -0.33 -0.00 0.00 0.00 178.44 177.69 1y77 h GLU 299 N 0.00 0.17 0.00 1.13 5.08 -0.94 0.32 114.58 120.34 1y77 h GLU 299 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1y77 h GLU 299 Cb 0.27 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1y77 h GLU 299 CO 0.01 0.73 0.00 0.45 -1.00 0.00 0.00 179.01 179.20 1y77 h HIS 300 N 0.13 0.00 0.00 4.33 3.86 -1.39 -3.34 115.15 118.74 1y77 h HIS 300 Ca -0.01 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.78 1y77 h HIS 300 Cb 1.11 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.51 1y77 h HIS 300 CO 0.02 0.00 -2.39 -0.89 0.86 0.00 0.00 177.93 175.52 1y77 n ILE 301 N -2.92 1.39 -3.75 2.45 5.41 -1.07 -4.31 119.36 116.54 1y77 n ILE 301 Ca 0.02 -0.35 -0.37 0.00 1.00 0.00 0.00 62.75 63.06 1y77 n ILE 301 Cb 0.36 -1.85 -0.13 0.00 -0.71 0.00 0.00 39.64 37.32 1y77 n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y77 n TYR 303 N 4.92 0.58 -3.66 0.00 0.53 -1.26 -4.39 117.16 113.88 1y77 n TYR 303 Ca -0.16 -0.29 -0.13 0.00 -1.02 0.00 0.00 57.90 56.30 1y77 n TYR 303 Cb 0.51 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.69 1y77 n TYR 303 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1y77 s ASP 304 N -1.13 0.36 0.00 7.72 -1.08 -1.26 -4.48 116.67 116.80 1y77 s ASP 304 Ca 0.34 0.59 0.18 0.00 -0.52 0.00 0.00 52.55 53.13 1y77 s ASP 304 Cb 0.18 0.71 1.10 0.00 -1.46 0.00 0.00 42.92 43.45 1y77 s ASP 304 CO 0.24 -0.24 1.60 0.52 0.52 0.00 0.00 175.17 177.80 1y77 n VAL 305 N 5.35 0.00 -1.93 1.11 0.31 -1.26 -3.37 118.33 118.55 1y77 n VAL 305 Ca -0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.95 1y77 n VAL 305 Cb 0.50 -0.43 0.04 0.00 -0.91 0.00 0.00 33.84 33.03 1y77 n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1y77 n ASN 306 N -0.85 6.35 -1.74 4.52 3.02 -1.26 -4.52 115.26 120.78 1y77 n ASN 306 Ca 0.14 -3.78 0.01 0.00 -0.03 0.00 0.00 54.58 50.91 1y77 n ASN 306 Cb 0.06 -0.75 0.06 0.00 -0.61 0.00 0.00 39.78 38.55 1y77 n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1y77 n ASP 307 N -0.66 1.67 -0.05 6.41 -0.08 -1.22 -4.95 116.55 117.67 1y77 n ASP 307 Ca 0.51 -2.52 0.03 0.00 -1.51 0.00 0.00 54.79 51.29 1y77 n ASP 307 Cb 0.60 -0.39 0.06 0.00 2.34 0.00 0.00 41.12 43.72 1y77 n ASP 307 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1y77 n TRP 308 N -0.20 0.12 0.00 -0.67 4.27 -1.26 -0.53 117.44 119.16 1y77 n TRP 308 Ca 0.12 0.18 0.00 0.00 -3.89 0.00 0.00 57.50 53.91 1y77 n TRP 308 Cb 0.96 -0.63 0.00 0.00 -1.36 0.00 0.00 31.31 30.28 1y77 n TRP 308 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1y77 n GLN 309 N -3.78 0.00 -0.27 -2.67 6.02 -1.26 0.20 117.38 115.61 1y77 n GLN 309 Ca 0.04 0.65 0.02 0.00 -0.01 0.00 0.00 57.00 57.70 1y77 n GLN 309 Cb 0.14 -1.32 0.09 0.00 1.02 0.00 0.00 30.24 30.17 1y77 n GLN 309 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1y77 h MET 310 N 0.00 0.00 0.03 -1.09 4.05 -1.25 -1.07 114.93 115.59 1y77 h MET 310 Ca 0.00 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1y77 h MET 310 Cb 0.00 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1y77 h MET 310 CO 0.00 0.00 -0.20 -0.07 0.23 0.00 0.00 176.91 176.87 1y77 h LEU 311 N 0.00 -0.62 -0.41 3.39 3.38 -1.03 -2.27 115.31 117.75 1y77 h LEU 311 Ca 0.37 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.45 1y77 h LEU 311 Cb 0.57 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1y77 h LEU 311 CO -0.80 -0.21 -0.24 1.21 0.09 0.00 0.00 178.44 178.49 1y77 n GLU 312 N -3.61 -0.18 -0.20 1.13 4.07 0.52 0.13 120.64 122.51 1y77 n GLU 312 Ca -0.03 0.91 0.18 0.00 -0.06 0.00 0.00 57.16 58.16 1y77 n GLU 312 Cb 0.15 -1.35 0.33 0.00 -0.06 0.00 0.00 31.44 30.52 1y77 n GLU 312 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1y77 n MET 313 N -3.99 -0.04 0.09 5.31 2.81 -0.73 0.20 117.12 120.77 1y77 n MET 313 Ca 0.01 0.84 -0.06 0.00 -1.81 0.00 0.00 57.70 56.68 1y77 n MET 313 Cb 0.11 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.19 1y77 n MET 313 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1y77 h LEU 314 N 0.00 0.24 -0.70 4.03 3.38 0.13 -3.35 115.31 119.04 1y77 h LEU 314 Ca 0.50 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.37 1y77 h LEU 314 Cb 1.28 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1y77 h LEU 314 CO -0.48 0.88 -0.49 0.11 0.09 0.00 0.00 178.44 178.55 1y77 h LYS 315 N 0.13 -0.09 -0.41 1.13 1.57 0.23 0.89 116.57 120.03 1y77 h LYS 315 Ca -0.02 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1y77 h LYS 315 Cb 1.28 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1y77 h LYS 315 CO 0.11 -0.06 0.35 -1.00 -0.57 0.00 0.00 179.45 178.28 1y77 h PRO 316 N -0.10 0.00 0.50 3.15 0.13 -1.70 -1.42 132.00 132.57 1y77 h PRO 316 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1y77 h PRO 316 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1y77 h PRO 316 CO -0.71 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 176.81 1y77 h VAL 318 N -1.12 0.36 -0.40 0.00 2.07 0.23 0.23 116.25 117.62 1y77 h VAL 318 Ca -0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.57 1y77 h VAL 318 Cb 0.57 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1y77 h VAL 318 CO 0.11 0.00 0.73 -0.33 0.02 0.00 0.00 177.57 178.10 1y77 h GLU 319 N -0.13 0.00 -0.11 1.57 5.08 -1.43 0.61 114.58 120.17 1y77 h GLU 319 Ca 0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1y77 h GLU 319 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1y77 h GLU 319 CO -0.54 0.00 -0.24 0.22 -1.00 0.00 0.00 179.01 177.45 1y77 h ASP 320 N 0.00 0.40 0.22 1.42 3.58 -0.58 -3.22 116.42 118.24 1y77 h ASP 320 Ca 0.19 -0.57 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1y77 h ASP 320 Cb 1.64 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1y77 h ASP 320 CO -0.00 0.90 -0.05 0.61 -2.88 0.00 0.00 179.24 177.81 1y77 n GLY 321 N 0.46 -0.83 0.35 -0.78 0.00 0.17 -4.16 105.19 100.41 1y77 n GLY 321 Ca -0.07 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1y77 n GLY 321 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1y77 h PHE 322 N 0.67 0.00 0.00 1.61 3.57 -1.48 0.74 116.94 122.05 1y77 h PHE 322 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1y77 h PHE 322 Cb 0.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1y77 h PHE 322 CO 0.00 0.00 0.00 0.28 -2.23 0.00 0.00 178.31 176.36 1y77 n VAL 323 N -2.76 0.64 -4.10 1.41 0.31 -1.26 -4.75 118.33 107.81 1y77 n VAL 323 Ca 0.01 -0.22 -0.25 0.00 -0.01 0.00 0.00 64.34 63.87 1y77 n VAL 323 Cb 0.78 -0.66 -0.05 0.00 -0.91 0.00 0.00 33.84 32.99 1y77 n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1y77 s ILE 324 N -3.13 4.44 0.00 2.52 1.01 0.26 -5.04 121.20 121.25 1y77 s ILE 324 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1y77 s ILE 324 Cb 0.12 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.28 1y77 s ILE 324 CO 0.57 -0.19 0.30 1.67 0.00 0.00 0.00 174.94 177.29 1y77 n GLN 325 N -0.63 0.00 -3.53 2.79 -0.06 -1.26 -5.00 117.38 109.68 1y77 n GLN 325 Ca -0.08 -0.07 -0.14 0.00 -2.00 0.00 0.00 57.00 54.71 1y77 n GLN 325 Cb 0.56 -0.04 -0.05 0.00 -4.06 0.00 0.00 30.24 26.65 1y77 n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1y77 s ASP 326 N -0.04 -0.51 0.53 1.69 -4.77 -1.26 -4.99 116.67 107.30 1y77 s ASP 326 Ca 0.00 0.48 0.37 0.00 -3.30 0.00 0.00 52.55 50.10 1y77 s ASP 326 Cb 0.00 0.44 1.53 0.00 -1.09 0.00 0.00 42.92 43.80 1y77 s ASP 326 CO 0.00 -0.53 1.76 -0.09 0.70 0.00 0.00 175.17 177.01 1y77 h ARG 327 N 2.67 0.04 0.00 2.11 2.43 -1.97 -1.31 114.38 118.36 1y77 h ARG 327 Ca -0.24 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1y77 h ARG 327 Cb 1.17 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1y77 h ARG 327 CO 0.35 0.03 0.00 0.39 -1.51 0.00 0.00 179.97 179.23 1y77 n GLU 328 N -4.21 0.00 -0.30 0.20 1.02 -1.26 -2.66 120.64 113.42 1y77 n GLU 328 Ca 0.29 0.48 0.07 0.00 -0.02 0.00 0.00 57.16 57.98 1y77 n GLU 328 Cb 1.33 -1.40 0.23 0.00 -0.02 0.00 0.00 31.44 31.58 1y77 n GLU 328 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1y77 h THR 329 N 0.00 0.75 -0.34 2.62 2.02 -1.86 -1.99 112.91 114.11 1y77 h THR 329 Ca 0.00 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1y77 h THR 329 Cb 0.00 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.38 1y77 h THR 329 CO 0.00 0.12 -0.39 0.00 0.37 0.00 0.00 175.52 175.62 1y77 h ALA 330 N 1.55 -0.61 0.00 6.16 0.00 -1.30 0.36 119.26 125.43 1y77 h ALA 330 Ca 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1y77 h ALA 330 Cb 0.64 1.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1y77 h ALA 330 CO -0.35 -0.80 -0.04 -0.07 0.00 0.00 0.00 179.25 177.98 1y77 h LEU 331 N -0.24 0.00 0.19 0.00 4.07 -1.24 -2.77 115.31 115.32 1y77 h LEU 331 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 1y77 h LEU 331 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1y77 h LEU 331 CO -0.44 0.04 -0.09 -0.78 -1.08 0.00 0.00 178.44 176.09 1y77 h ASP 332 N 0.00 -0.22 0.00 -0.43 3.58 0.37 -3.30 116.42 116.42 1y77 h ASP 332 Ca -0.00 -0.20 -0.64 0.00 0.42 0.00 0.00 57.03 56.62 1y77 h ASP 332 Cb 0.12 0.06 0.04 0.00 1.72 0.00 0.00 39.33 41.26 1y77 h ASP 332 CO 0.01 0.09 2.40 0.33 -2.88 0.00 0.00 179.24 179.18 1y77 n PHE 333 N -5.08 1.97 -2.71 0.28 7.35 -0.11 -3.74 117.46 115.43 1y77 n PHE 333 Ca -0.09 -1.92 -0.06 0.00 -0.76 0.00 0.00 57.45 54.61 1y77 n PHE 333 Cb 0.22 -1.78 0.06 0.00 0.35 0.00 0.00 39.48 38.33 1y77 n PHE 333 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1y77 n ILE 334 N 5.77 0.00 0.00 -2.13 5.41 -1.25 -5.01 119.36 122.15 1y77 n ILE 334 Ca 0.49 -1.07 0.00 0.00 1.00 0.00 0.00 62.75 63.17 1y77 n ILE 334 Cb 0.38 1.29 0.00 0.00 -0.71 0.00 0.00 39.64 40.60 1y77 n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y77 n GLY 335 N 1.58 4.46 0.97 7.39 0.00 -1.24 -4.68 105.19 113.66 1y77 n GLY 335 Ca 0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 1y77 n GLY 335 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y77 n LYS 345 N 0.00 1.40 0.00 1.61 5.02 -1.26 -4.92 118.16 120.01 1y77 n LYS 345 Ca 0.00 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 1y77 n LYS 345 Cb 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 1y77 n LYS 345 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1y77 n GLU 346 N -0.68 0.00 0.09 1.97 1.02 -1.26 -4.29 120.64 117.48 1y77 n GLU 346 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 1y77 n GLU 346 Cb 0.16 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.53 1y77 n GLU 346 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1y77 h LYS 347 N 0.00 -0.27 -0.10 3.49 2.10 -2.05 -3.05 116.57 116.69 1y77 h LYS 347 Ca 0.00 0.02 -0.09 0.00 -2.00 0.00 0.00 60.65 58.58 1y77 h LYS 347 Cb 0.00 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1y77 h LYS 347 CO 0.00 -0.18 -0.34 0.07 -2.00 0.00 0.00 179.45 177.01 1y77 h ARG 348 N -0.28 0.20 -0.26 0.07 0.11 -1.95 -3.03 114.38 109.23 1y77 h ARG 348 Ca 0.02 -0.08 0.08 0.00 0.10 0.00 0.00 59.98 60.10 1y77 h ARG 348 Cb 0.30 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.35 1y77 h ARG 348 CO -0.08 0.52 0.23 0.82 0.10 0.00 0.00 179.97 181.56 1y77 h ILE 349 N 0.17 0.62 0.00 0.08 2.04 -1.83 -2.77 117.51 115.84 1y77 h ILE 349 Ca 0.02 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1y77 h ILE 349 Cb 0.68 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1y77 h ILE 349 CO 0.05 0.00 -0.04 -0.61 0.00 0.00 0.00 178.15 177.55 1y77 h GLN 350 N 0.00 0.00 -0.74 2.37 5.75 -1.60 -3.29 115.11 117.60 1y77 h GLN 350 Ca 0.12 0.00 0.30 0.00 -0.15 0.00 0.00 58.65 58.92 1y77 h GLN 350 Cb 0.58 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 29.02 1y77 h GLN 350 CO -0.00 0.27 0.42 0.98 -2.65 0.00 0.00 178.83 177.84 1y77 n TYR 351 N -4.73 0.74 -0.02 3.99 9.36 -1.05 0.10 117.16 125.56 1y77 n TYR 351 Ca -0.03 0.75 -0.13 0.00 3.32 0.00 0.00 57.90 61.81 1y77 n TYR 351 Cb 0.14 -1.18 -0.10 0.00 -0.63 0.00 0.00 39.34 37.57 1y77 n TYR 351 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1y77 h ALA 352 N 1.32 -0.00 -0.52 2.98 0.00 -1.66 -2.77 119.26 118.61 1y77 h ALA 352 Ca 0.59 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1y77 h ALA 352 Cb 1.62 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.32 1y77 h ALA 352 CO -0.49 -0.23 -0.53 0.87 0.00 0.00 0.00 179.25 178.86 1y77 h LYS 353 N -0.53 -0.30 -0.12 0.00 1.57 0.63 0.96 116.57 118.78 1y77 h LYS 353 Ca -0.00 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1y77 h LYS 353 Cb 0.53 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 1y77 h LYS 353 CO 0.00 -0.20 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.00 1y77 h ASP 354 N -0.31 -0.74 -0.63 0.86 3.32 -1.59 -1.04 116.42 116.29 1y77 h ASP 354 Ca 0.11 0.12 0.18 0.00 0.02 0.00 0.00 57.03 57.45 1y77 h ASP 354 Cb 0.57 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 1y77 h ASP 354 CO -0.66 -0.29 0.45 0.40 -1.72 0.00 0.00 179.24 177.42 1y77 h ILE 355 N -0.31 0.70 -0.08 0.35 2.04 -0.96 0.83 117.51 120.08 1y77 h ILE 355 Ca 0.10 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1y77 h ILE 355 Cb 0.45 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1y77 h ILE 355 CO -0.30 0.01 0.00 0.18 0.00 0.00 0.00 178.15 178.04 1y77 n LEU 356 N -4.37 1.21 -0.01 1.44 4.77 0.23 -0.05 117.00 120.21 1y77 n LEU 356 Ca 0.12 -0.47 -0.03 0.00 -0.03 0.00 0.00 56.01 55.60 1y77 n LEU 356 Cb 0.67 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1y77 n LEU 356 CO 0.37 0.23 -0.60 0.00 -1.33 0.00 0.00 177.39 176.06 1y77 n GLN 357 N -0.01 0.06 0.01 3.23 6.02 0.24 -4.59 117.38 122.35 1y77 n GLN 357 Ca 0.17 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.26 1y77 n GLN 357 Cb 0.27 -0.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.80 1y77 n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1y77 n LYS 358 N -3.11 0.64 -0.04 -1.09 5.02 0.14 -3.87 118.16 115.86 1y77 n LYS 358 Ca -0.06 -0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.17 1y77 n LYS 358 Cb 0.54 -1.64 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 1y77 n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1y77 n GLU 359 N -2.52 2.03 -2.72 1.97 -0.58 -1.03 -4.68 120.64 113.12 1y77 n GLU 359 Ca -0.08 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.22 1y77 n GLU 359 Cb 0.68 -1.24 -0.03 0.00 -0.57 0.00 0.00 31.44 30.28 1y77 n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1y77 s PHE 360 N -2.32 3.46 -1.33 -0.32 5.99 0.93 -3.95 117.98 120.44 1y77 s PHE 360 Ca -0.04 1.51 -0.03 0.00 0.00 0.00 0.00 56.93 58.37 1y77 s PHE 360 Cb 0.04 -3.17 0.03 0.00 0.00 0.00 0.00 43.02 39.91 1y77 s PHE 360 CO 0.39 -0.28 0.06 -0.11 -0.00 0.00 0.00 175.22 175.28 1y77 n LEU 361 N 5.32 -0.79 -0.12 6.12 7.94 -1.26 -4.72 117.00 129.50 1y77 n LEU 361 Ca 0.09 -1.06 0.26 0.00 -1.11 0.00 0.00 56.01 54.18 1y77 n LEU 361 Cb 0.48 -1.32 0.55 0.00 0.53 0.00 0.00 43.42 43.66 1y77 n LEU 361 CO 0.51 0.35 1.24 1.55 -1.11 0.00 0.00 177.39 179.93 1y77 h PRO 362 N -1.25 0.00 0.00 1.96 0.13 -1.84 -3.34 132.00 127.66 1y77 h PRO 362 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1y77 h PRO 362 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1y77 h PRO 362 CO 0.61 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1y77 n HIS 363 N -3.40 -3.43 0.00 1.56 1.44 -1.26 -3.63 115.22 106.49 1y77 n HIS 363 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1y77 n HIS 363 Cb 1.23 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.34 1y77 n HIS 363 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1y77 n ILE 364 N -2.14 0.00 -3.65 0.61 5.41 -1.25 -4.82 119.36 113.52 1y77 n ILE 364 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1y77 n ILE 364 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 38.87 1y77 n ILE 364 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1y77 s THR 365 N 0.00 0.00 -0.53 1.39 2.01 -1.24 -5.02 115.64 112.26 1y77 s THR 365 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1y77 s THR 365 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1y77 s THR 365 CO 0.00 0.00 0.43 0.00 -0.69 0.00 0.00 174.62 174.36 1y77 n GLN 366 N 1.30 3.43 0.00 4.92 6.02 -1.25 -4.78 117.38 127.03 1y77 n GLN 366 Ca -0.08 -0.26 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 1y77 n GLN 366 Cb 0.57 -0.93 0.00 0.00 1.02 0.00 0.00 30.24 30.91 1y77 n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1y77 n LEU 367 N -0.75 0.00 0.00 1.08 4.77 -1.26 -4.21 117.00 116.63 1y77 n LEU 367 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1y77 n LEU 367 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1y77 n LEU 367 CO 0.12 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.56 1y77 n GLU 368 N 0.00 0.00 -0.00 3.23 1.02 -1.26 -4.90 120.64 118.73 1y77 n GLU 368 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y77 n GLU 368 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1y77 n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y77 n GLY 369 N 0.04 0.96 1.68 0.62 0.00 -1.26 -3.95 105.19 103.28 1y77 n GLY 369 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1y77 n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y77 n PHE 370 N 2.89 0.44 -0.07 1.61 3.01 -1.26 -4.86 117.46 119.22 1y77 n PHE 370 Ca 0.00 -1.12 0.04 0.00 1.01 0.00 0.00 57.45 57.39 1y77 n PHE 370 Cb 0.00 -0.19 0.39 0.00 -0.01 0.00 0.00 39.48 39.67 1y77 n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y77 h GLU 371 N 1.42 0.63 -0.01 -1.08 3.07 -1.91 -2.19 114.58 114.53 1y77 h GLU 371 Ca -0.14 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.51 1y77 h GLU 371 Cb 1.60 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.35 1y77 h GLU 371 CO 0.14 0.42 -0.81 0.66 -1.40 0.00 0.00 179.01 178.02 1y77 h SER 372 N 0.65 0.16 0.22 1.42 4.64 -1.89 -2.47 113.55 116.28 1y77 h SER 372 Ca 0.21 -0.12 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1y77 h SER 372 Cb 0.03 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1y77 h SER 372 CO -0.05 0.90 -0.61 -0.09 -0.87 0.00 0.00 176.83 176.10 1y77 h ARG 373 N 0.07 0.39 -0.20 4.77 2.43 -1.76 -2.71 114.38 117.38 1y77 h ARG 373 Ca -0.03 -0.27 -0.21 0.00 -0.81 0.00 0.00 59.98 58.66 1y77 h ARG 373 Cb 1.41 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.01 1y77 h ARG 373 CO 0.12 0.88 -0.71 0.87 -1.51 0.00 0.00 179.97 179.62 1y77 h LYS 374 N 0.29 0.83 0.37 0.20 1.57 -1.45 -3.23 116.57 115.14 1y77 h LYS 374 Ca -0.01 -0.63 -0.02 0.00 -1.87 0.00 0.00 60.65 58.13 1y77 h LYS 374 Cb 1.14 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1y77 h LYS 374 CO 0.10 1.24 -0.19 0.00 -0.57 0.00 0.00 179.45 180.03 1y77 h ALA 375 N 0.59 -0.52 -0.01 3.86 0.00 -1.40 -1.50 119.26 120.27 1y77 h ALA 375 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1y77 h ALA 375 Cb 1.33 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1y77 h ALA 375 CO 0.15 -0.80 0.23 0.74 0.00 0.00 0.00 179.25 179.58 1y77 h PHE 376 N -0.52 0.00 0.00 0.00 -1.00 -1.57 0.13 116.94 113.97 1y77 h PHE 376 Ca -0.05 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 1y77 h PHE 376 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1y77 h PHE 376 CO -0.06 0.00 -0.24 0.35 -1.61 0.00 0.00 178.31 176.75 1y77 h PHE 377 N 0.00 0.00 -0.18 -0.55 3.57 -1.38 0.12 116.94 118.52 1y77 h PHE 377 Ca 0.01 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1y77 h PHE 377 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1y77 h PHE 377 CO 0.00 0.74 0.49 1.25 -2.23 0.00 0.00 178.31 178.56 1y77 h LEU 378 N -1.00 0.00 0.01 0.59 5.85 -0.27 0.98 115.31 121.48 1y77 h LEU 378 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1y77 h LEU 378 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1y77 h LEU 378 CO -0.03 0.00 -0.00 1.23 -0.34 0.00 0.00 178.44 179.29 1y77 h GLY 379 N 0.00 -0.01 1.15 3.75 0.00 -0.71 -2.52 103.07 104.73 1y77 h GLY 379 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1y77 h GLY 379 CO -0.00 -0.00 0.41 -1.82 0.00 0.00 0.00 176.54 175.13 1y77 h TYR 380 N -0.99 0.00 0.00 5.60 3.20 0.36 0.79 116.97 125.93 1y77 h TYR 380 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1y77 h TYR 380 Cb 0.61 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1y77 h TYR 380 CO 0.17 0.00 -0.20 0.52 -1.64 0.00 0.00 178.16 177.01 1y77 h MET 381 N 0.00 0.00 -0.99 1.82 2.86 -0.90 -3.08 114.93 114.64 1y77 h MET 381 Ca 0.02 0.00 0.29 0.00 -2.06 0.00 0.00 59.70 57.95 1y77 h MET 381 Cb 0.85 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1y77 h MET 381 CO -0.00 0.00 0.80 0.82 1.06 0.00 0.00 176.91 179.59 1y77 h ILE 382 N -0.90 0.36 0.00 -1.22 2.04 -0.85 0.33 117.51 117.27 1y77 h ILE 382 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1y77 h ILE 382 Cb 0.20 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1y77 h ILE 382 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.95 1y77 n ASN 383 N -3.98 0.00 -0.15 1.72 5.15 0.18 -2.54 115.26 115.64 1y77 n ASN 383 Ca 0.21 0.21 0.01 0.00 -0.60 0.00 0.00 54.58 54.41 1y77 n ASN 383 Cb 1.13 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 40.42 1y77 n ASN 383 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1y77 n ARG 384 N -0.28 -0.06 -0.27 1.20 5.12 -0.56 0.13 116.66 121.94 1y77 n ARG 384 Ca 0.00 0.63 -0.08 0.00 -1.93 0.00 0.00 57.85 56.47 1y77 n ARG 384 Cb 0.00 -0.94 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 1y77 n ARG 384 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1y77 h LEU 385 N 0.00 -1.64 0.17 0.55 5.85 -0.45 -2.20 115.31 117.60 1y77 h LEU 385 Ca 0.18 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 59.16 1y77 h LEU 385 Cb 0.28 0.75 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1y77 h LEU 385 CO -0.41 -0.31 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.22 1y77 h LEU 386 N -0.16 -0.20 -1.39 2.25 3.38 0.14 -3.04 115.31 116.29 1y77 h LEU 386 Ca 0.20 -0.22 0.44 0.00 0.09 0.00 0.00 57.88 58.39 1y77 h LEU 386 Cb 0.54 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 1y77 h LEU 386 CO -0.78 0.12 0.95 0.18 0.09 0.00 0.00 178.44 179.00 1y77 n LEU 387 N -5.06 0.10 -0.07 1.67 4.32 -0.85 0.13 117.00 117.25 1y77 n LEU 387 Ca -0.09 1.03 -0.16 0.00 -0.02 0.00 0.00 56.01 56.77 1y77 n LEU 387 Cb 0.21 -0.51 -0.13 0.00 -1.62 0.00 0.00 43.42 41.38 1y77 n LEU 387 CO 0.32 -1.09 0.21 0.00 -1.22 0.00 0.00 177.39 175.62 1y77 n ALA 389 N -2.75 0.98 -1.75 0.00 0.00 0.36 0.11 120.51 117.46 1y77 n ALA 389 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1y77 n ALA 389 Cb 0.54 -0.90 0.13 0.00 0.00 0.00 0.00 19.45 19.23 1y77 n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y77 n LEU 390 N -1.36 3.78 -3.42 0.00 4.77 -0.23 -4.99 117.00 115.55 1y77 n LEU 390 Ca 0.00 -4.24 -0.15 0.00 -0.03 0.00 0.00 56.01 51.59 1y77 n LEU 390 Cb 0.04 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1y77 n LEU 390 CO 0.00 1.68 -0.09 0.47 -1.33 0.00 0.00 177.39 178.12 1y77 n ASP 391 N -0.95 -1.91 0.00 -1.43 9.92 0.30 -4.80 116.55 117.68 1y77 n ASP 391 Ca 0.31 -0.48 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1y77 n ASP 391 Cb 0.83 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1y77 n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1y77 n ARG 392 N -1.98 3.22 -3.90 -1.24 1.74 -0.00 -5.02 116.66 109.47 1y77 n ARG 392 Ca -0.10 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.76 1y77 n ARG 392 Cb 0.27 -0.91 -0.17 0.00 -1.02 0.00 0.00 32.46 30.64 1y77 n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1y77 s LYS 393 N -1.81 0.66 1.04 5.56 -0.14 -1.09 -4.98 119.74 118.97 1y77 s LYS 393 Ca 0.00 0.04 -0.17 0.00 -1.36 0.00 0.00 55.97 54.48 1y77 s LYS 393 Cb 0.00 -0.90 0.04 0.00 -1.68 0.00 0.00 37.83 35.29 1y77 s LYS 393 CO 0.00 -0.22 0.01 -0.25 -0.76 0.00 0.00 175.35 174.13 1y77 n ASP 394 N 4.72 -2.56 -4.77 2.83 8.00 -1.26 -4.29 116.55 119.22 1y77 n ASP 394 Ca -0.14 0.09 -0.32 0.00 0.71 0.00 0.00 54.79 55.13 1y77 n ASP 394 Cb 0.50 -1.01 0.07 0.00 -0.02 0.00 0.00 41.12 40.66 1y77 n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1y77 s GLN 395 N -3.33 2.49 0.29 -1.24 0.74 -1.26 -4.93 119.66 112.42 1y77 s GLN 395 Ca 0.54 1.27 -0.28 0.00 0.05 0.00 0.00 55.36 56.94 1y77 s GLN 395 Cb -0.14 -1.92 -0.10 0.00 1.10 0.00 0.00 33.01 31.95 1y77 s GLN 395 CO 0.68 -1.48 0.95 -0.51 -0.55 0.00 0.00 175.29 174.38 1y77 s ASP 396 N -3.03 7.45 -0.18 6.67 1.01 -1.00 -5.01 116.67 122.56 1y77 s ASP 396 Ca 0.64 1.89 -0.25 0.00 0.71 0.00 0.00 52.55 55.54 1y77 s ASP 396 Cb -0.19 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.14 1y77 s ASP 396 CO 0.50 0.01 0.84 -0.62 0.21 0.00 0.00 175.17 176.11 1y77 s ASP 397 N -1.43 6.94 0.00 0.27 -1.08 -1.26 -4.94 116.67 115.17 1y77 s ASP 397 Ca 0.47 1.16 0.30 0.00 -0.52 0.00 0.00 52.55 53.96 1y77 s ASP 397 Cb -0.22 -2.46 1.46 0.00 -1.46 0.00 0.00 42.92 40.24 1y77 s ASP 397 CO 0.27 -0.43 2.01 0.54 0.52 0.00 0.00 175.17 178.08 1y77 n ARG 398 N 5.42 0.52 -1.65 4.34 1.74 -1.26 -3.80 116.66 121.98 1y77 n ARG 398 Ca 0.05 -0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 56.88 1y77 n ARG 398 Cb 0.48 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.49 1y77 n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1y77 n ASP 399 N -1.18 4.42 -4.39 0.55 8.00 -1.26 -4.94 116.55 117.75 1y77 n ASP 399 Ca 0.15 -3.78 -0.44 0.00 0.71 0.00 0.00 54.79 51.42 1y77 n ASP 399 Cb 0.24 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 1y77 n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1y77 s HIS 400 N -3.53 3.10 0.42 1.24 2.46 -1.25 -4.83 115.29 112.89 1y77 s HIS 400 Ca 0.49 -0.84 0.28 0.00 0.47 0.00 0.00 55.06 55.46 1y77 s HIS 400 Cb 0.41 -3.65 1.44 0.00 -0.13 0.00 0.00 32.58 30.65 1y77 s HIS 400 CO 0.01 -1.07 1.57 0.34 -2.47 0.00 0.00 174.74 173.13 1y77 n PHE 401 N 5.92 0.88 0.30 3.88 7.35 -1.26 -0.37 117.46 134.16 1y77 n PHE 401 Ca -0.10 0.88 0.17 0.00 -0.76 0.00 0.00 57.45 57.64 1y77 n PHE 401 Cb 0.43 -1.31 0.85 0.00 0.35 0.00 0.00 39.48 39.80 1y77 n PHE 401 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1y77 h GLY 402 N 0.00 0.00 -2.41 7.13 0.00 -1.91 0.43 103.07 106.32 1y77 h GLY 402 Ca 0.87 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.99 1y77 h GLY 402 CO -0.58 0.00 0.08 0.28 0.00 0.00 0.00 176.54 176.32 1y77 n LYS 403 N -3.03 2.22 -5.10 4.80 5.02 0.50 -4.69 118.16 117.88 1y77 n LYS 403 Ca -0.01 -3.09 -0.31 0.00 -2.02 0.00 0.00 58.31 52.88 1y77 n LYS 403 Cb 0.38 -1.91 -0.15 0.00 -0.02 0.00 0.00 35.03 33.32 1y77 n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1y77 s LYS 404 N -3.17 1.95 -0.10 1.97 -0.14 0.15 -1.03 119.74 119.37 1y77 s LYS 404 Ca 0.47 -1.02 -0.01 0.00 -1.36 0.00 0.00 55.97 54.05 1y77 s LYS 404 Cb 0.41 -2.01 0.03 0.00 -1.68 0.00 0.00 37.83 34.58 1y77 s LYS 404 CO 0.04 0.53 -0.06 1.03 -0.76 0.00 0.00 175.35 176.14 1y77 s ARG 405 N -0.94 1.33 -0.95 1.68 1.81 0.12 -4.64 118.95 117.36 1y77 s ARG 405 Ca 0.11 -0.18 -0.15 0.00 -1.72 0.00 0.00 55.73 53.79 1y77 s ARG 405 Cb -0.10 -1.45 0.18 0.00 -0.45 0.00 0.00 34.95 33.13 1y77 s ARG 405 CO 0.01 -0.27 1.04 -0.51 -0.68 0.00 0.00 175.30 174.89 1y77 s LEU 406 N 1.75 5.81 0.44 2.53 1.43 -0.96 -1.29 118.68 128.39 1y77 s LEU 406 Ca 0.05 -2.59 -0.24 0.00 -1.03 0.00 0.00 54.13 50.32 1y77 s LEU 406 Cb -0.12 -2.31 -0.10 0.00 0.03 0.00 0.00 46.19 43.69 1y77 s LEU 406 CO -0.07 -0.76 1.04 0.47 0.23 0.00 0.00 176.35 177.26 1y77 n ASP 407 N 5.07 1.37 -1.51 2.29 8.00 -1.13 -4.72 116.55 125.92 1y77 n ASP 407 Ca 0.22 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.74 1y77 n ASP 407 Cb 0.46 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1y77 n ASP 407 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1y77 n LEU 408 N 0.30 0.00 -0.33 0.64 7.94 -1.26 -2.13 117.00 122.16 1y77 n LEU 408 Ca 0.09 0.00 0.24 0.00 -1.11 0.00 0.00 56.01 55.23 1y77 n LEU 408 Cb 0.40 0.00 0.45 0.00 0.53 0.00 0.00 43.42 44.81 1y77 n LEU 408 CO 0.56 0.00 0.96 0.00 -1.11 0.00 0.00 177.39 177.80 1y77 h ALA 409 N 1.00 1.73 -1.97 1.96 0.00 -1.88 -2.14 119.26 117.96 1y77 h ALA 409 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y77 h ALA 409 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1y77 h ALA 409 CO 0.00 -0.76 0.00 0.41 0.00 0.00 0.00 179.25 178.90 1y77 n GLY 410 N -1.36 -0.58 0.45 0.00 0.00 -1.26 -3.09 105.19 99.35 1y77 n GLY 410 Ca 0.31 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.69 1y77 n GLY 410 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y77 n PRO 411 N -1.02 -0.02 0.32 1.61 -0.02 -1.17 0.67 135.00 135.38 1y77 n PRO 411 Ca 0.00 0.91 -0.16 0.00 -2.02 0.00 0.00 63.50 62.23 1y77 n PRO 411 Cb 0.00 -1.91 -0.08 0.00 -0.02 0.00 0.00 33.50 31.49 1y77 n PRO 411 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1y77 h LEU 412 N 0.00 -0.69 -1.56 2.45 3.38 -1.47 -0.38 115.31 117.03 1y77 h LEU 412 Ca 0.70 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.73 1y77 h LEU 412 Cb 2.51 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 43.40 1y77 h LEU 412 CO -0.21 -0.38 0.42 -0.07 0.09 0.00 0.00 178.44 178.30 1y77 h LEU 413 N -1.00 0.45 0.00 1.67 3.38 0.31 -1.70 115.31 118.41 1y77 h LEU 413 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1y77 h LEU 413 Cb 0.68 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1y77 h LEU 413 CO 0.14 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1y77 n ALA 414 N -2.50 -0.19 -0.26 1.53 0.00 -0.27 0.12 120.51 118.93 1y77 n ALA 414 Ca 0.10 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.78 1y77 n ALA 414 Cb 0.33 0.16 0.44 0.00 0.00 0.00 0.00 19.45 20.38 1y77 n ALA 414 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1y77 n GLN 415 N -1.75 -0.05 0.14 0.00 7.27 -0.20 -0.78 117.38 122.01 1y77 n GLN 415 Ca 0.00 1.14 -0.06 0.00 0.07 0.00 0.00 57.00 58.15 1y77 n GLN 415 Cb 0.00 -2.00 -0.03 0.00 2.41 0.00 0.00 30.24 30.62 1y77 n GLN 415 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1y77 h LEU 416 N 0.00 -0.31 -0.89 1.69 3.38 -0.34 -2.91 115.31 115.93 1y77 h LEU 416 Ca 0.66 0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.88 1y77 h LEU 416 Cb 1.70 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 42.37 1y77 h LEU 416 CO -0.65 -0.16 0.11 0.15 0.09 0.00 0.00 178.44 177.98 1y77 h PHE 417 N -0.49 0.11 0.00 1.13 3.57 0.30 0.24 116.94 121.80 1y77 h PHE 417 Ca -0.04 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1y77 h PHE 417 Cb 0.28 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1y77 h PHE 417 CO 0.10 -0.31 0.00 1.63 -2.23 0.00 0.00 178.31 177.50 1y77 n LYS 418 N -5.36 0.00 0.19 1.11 5.02 -0.70 0.13 118.16 118.54 1y77 n LYS 418 Ca 0.21 0.34 0.04 0.00 -2.02 0.00 0.00 58.31 56.87 1y77 n LYS 418 Cb 0.68 -1.24 0.22 0.00 -0.02 0.00 0.00 35.03 34.66 1y77 n LYS 418 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1y77 h THR 419 N 0.00 0.00 0.01 -0.18 2.02 -1.22 0.49 112.91 114.03 1y77 h THR 419 Ca 0.00 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.81 1y77 h THR 419 Cb 0.00 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 1y77 h THR 419 CO 0.00 0.00 -2.02 0.18 0.37 0.00 0.00 175.52 174.05 1y77 n LEU 420 N -2.01 2.04 0.27 2.58 4.77 0.03 -4.20 117.00 120.48 1y77 n LEU 420 Ca -0.01 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.41 1y77 n LEU 420 Cb 0.54 -0.90 0.72 0.00 -2.33 0.00 0.00 43.42 41.45 1y77 n LEU 420 CO 0.04 0.51 1.04 0.15 -1.33 0.00 0.00 177.39 177.79 1y77 h PHE 421 N -0.86 0.00 0.00 -1.77 3.57 0.32 -1.34 116.94 116.87 1y77 h PHE 421 Ca -0.54 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.89 1y77 h PHE 421 Cb 1.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1y77 h PHE 421 CO 0.00 0.06 -0.30 0.87 -2.23 0.00 0.00 178.31 176.71 1y77 h LYS 422 N 0.00 0.00 0.00 1.11 1.57 -1.56 0.13 116.57 117.82 1y77 h LYS 422 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y77 h LYS 422 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1y77 h LYS 422 CO 0.01 0.30 -0.02 -0.22 -0.57 0.00 0.00 179.45 178.95 1y77 h LYS 423 N 0.00 0.00 0.09 3.15 3.64 -1.41 -0.52 116.57 121.52 1y77 h LYS 423 Ca -0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1y77 h LYS 423 Cb 0.98 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1y77 h LYS 423 CO 0.04 0.00 -1.15 1.25 -2.27 0.00 0.00 179.45 177.32 1y77 h LEU 424 N 0.00 0.29 -2.13 5.20 5.85 -1.20 -3.25 115.31 120.07 1y77 h LEU 424 Ca 0.00 -0.83 -0.02 0.00 0.84 0.00 0.00 57.88 57.87 1y77 h LEU 424 Cb 0.81 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1y77 h LEU 424 CO 0.00 1.50 -0.07 0.74 -0.34 0.00 0.00 178.44 180.27 1y77 h THR 425 N -0.50 0.56 -0.59 1.05 2.02 -0.61 -1.24 112.91 113.60 1y77 h THR 425 Ca -0.26 -0.32 -0.23 0.00 0.77 0.00 0.00 66.41 66.37 1y77 h THR 425 Cb 1.59 1.21 -0.14 0.00 -1.74 0.00 0.00 68.15 69.07 1y77 h THR 425 CO 0.02 0.07 0.19 2.29 0.37 0.00 0.00 175.52 178.47 1y77 n LYS 426 N -3.74 2.70 0.00 6.66 2.85 -0.22 -3.84 118.16 122.57 1y77 n LYS 426 Ca -0.02 -3.06 0.00 0.00 -1.05 0.00 0.00 58.31 54.17 1y77 n LYS 426 Cb 0.17 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.53 1y77 n LYS 426 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1y77 n ASP 427 N -0.73 3.27 0.22 -5.58 8.00 -0.78 -4.43 116.55 116.53 1y77 n ASP 427 Ca 0.39 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.97 1y77 n ASP 427 Cb 1.25 0.33 0.53 0.00 -0.02 0.00 0.00 41.12 43.21 1y77 n ASP 427 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1y77 h ILE 428 N 0.00 0.88 -0.39 0.53 2.04 -1.39 -1.26 117.51 117.92 1y77 h ILE 428 Ca 0.00 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 64.80 1y77 h ILE 428 Cb 0.65 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1y77 h ILE 428 CO 0.00 0.23 -0.34 0.15 0.00 0.00 0.00 178.15 178.19 1y77 h PHE 429 N 0.00 1.09 0.00 1.37 3.57 -1.79 -2.92 116.94 118.25 1y77 h PHE 429 Ca -0.00 -0.31 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1y77 h PHE 429 Cb 0.52 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1y77 h PHE 429 CO 0.00 1.13 0.00 0.54 -2.23 0.00 0.00 178.31 177.75 1y77 n ARG 430 N -4.11 0.59 -0.07 1.11 1.74 -0.48 -2.01 116.66 113.43 1y77 n ARG 430 Ca -0.02 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.95 1y77 n ARG 430 Cb 0.52 -1.06 -0.07 0.00 -1.02 0.00 0.00 32.46 30.83 1y77 n ARG 430 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1y77 n TYR 431 N -0.56 0.00 -0.03 -1.55 9.36 -1.11 -4.56 117.16 118.71 1y77 n TYR 431 Ca 0.02 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.09 1y77 n TYR 431 Cb 0.01 -0.57 -0.11 0.00 -0.63 0.00 0.00 39.34 38.04 1y77 n TYR 431 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1y77 h MET 432 N -0.01 0.13 0.00 2.98 2.86 -1.51 -2.43 114.93 116.95 1y77 h MET 432 Ca -0.33 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1y77 h MET 432 Cb 1.51 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1y77 h MET 432 CO -0.06 0.80 0.01 1.04 1.06 0.00 0.00 176.91 179.77 1y77 n GLN 433 N -4.61 0.00 -0.00 1.72 6.02 -0.85 -0.81 117.38 118.84 1y77 n GLN 433 Ca -0.09 0.12 0.01 0.00 -0.01 0.00 0.00 57.00 57.03 1y77 n GLN 433 Cb 0.42 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 1y77 n GLN 433 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1y77 n ARG 434 N -1.10 0.83 -1.92 -1.09 1.74 -1.18 -4.90 116.66 109.04 1y77 n ARG 434 Ca 0.00 -0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.82 1y77 n ARG 434 Cb 0.01 -1.09 -0.07 0.00 -1.02 0.00 0.00 32.46 30.29 1y77 n ARG 434 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1y77 s THR 435 N -2.21 3.37 -1.25 0.55 2.01 0.01 -4.69 115.64 113.43 1y77 s THR 435 Ca -0.01 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1y77 s THR 435 Cb 0.02 -4.26 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1y77 s THR 435 CO 0.15 -0.68 1.00 0.52 -0.69 0.00 0.00 174.62 174.91 1y77 n VAL 436 N 8.20 1.34 0.00 3.82 0.31 -1.26 -5.01 118.33 125.72 1y77 n VAL 436 Ca 0.43 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 65.10 1y77 n VAL 436 Cb 0.46 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1y77 n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1y77 n GLU 437 N -1.38 0.00 -1.32 5.55 1.02 -1.26 -5.26 120.64 117.99 1y77 n GLU 437 Ca 0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.92 1y77 n GLU 437 Cb 0.03 -0.26 -0.06 0.00 -0.02 0.00 0.00 31.44 31.14 1y77 n GLU 437 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1y77 n LEU 446 N 0.00 6.30 0.00 -4.62 -0.00 -1.26 -5.28 117.00 112.15 1y77 n LEU 446 Ca 0.00 -3.82 0.00 0.00 -0.00 0.00 0.00 56.01 52.19 1y77 n LEU 446 Cb 0.00 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.19 1y77 n LEU 446 CO 0.00 1.64 0.00 0.00 -0.00 0.00 0.00 177.39 179.03 1y77 n ALA 447 N 1.00 0.00 -3.88 1.47 0.00 -1.26 -5.01 120.51 112.83 1y77 n ALA 447 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 1y77 n ALA 447 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 1y77 n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1y77 s ILE 448 N -2.67 2.94 -0.91 0.00 1.01 -1.26 -4.66 121.20 115.65 1y77 s ILE 448 Ca 0.00 -3.11 -0.19 0.00 0.00 0.00 0.00 60.65 57.35 1y77 s ILE 448 Cb 0.00 -3.00 -0.11 0.00 0.01 0.00 0.00 42.46 39.36 1y77 s ILE 448 CO 0.00 -0.81 2.02 -3.20 0.00 0.00 0.00 174.94 172.95 1y77 n ASN 449 N 3.34 3.14 0.24 3.58 5.15 -1.26 -4.70 115.26 124.75 1y77 n ASN 449 Ca 0.06 -2.66 0.04 0.00 -0.60 0.00 0.00 54.58 51.42 1y77 n ASN 449 Cb 0.35 -1.20 0.23 0.00 -0.53 0.00 0.00 39.78 38.62 1y77 n ASN 449 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1y77 h ALA 450 N 7.34 1.53 -0.29 5.20 0.00 -1.94 0.31 119.26 131.42 1y77 h ALA 450 Ca 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1y77 h ALA 450 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1y77 h ALA 450 CO 1.89 -0.53 -0.02 -0.22 0.00 0.00 0.00 179.25 180.36 1y77 h LYS 451 N 0.00 0.44 -0.96 0.00 3.64 -1.97 -2.88 116.57 114.85 1y77 h LYS 451 Ca 0.00 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1y77 h LYS 451 Cb 1.28 -0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 1y77 h LYS 451 CO 0.00 0.49 -0.58 1.15 -2.27 0.00 0.00 179.45 178.24 1y77 h THR 452 N 0.43 0.00 0.37 1.00 2.02 -0.77 -1.03 112.91 114.94 1y77 h THR 452 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1y77 h THR 452 Cb 0.32 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1y77 h THR 452 CO 0.01 0.00 -0.18 0.40 0.37 0.00 0.00 175.52 176.12 1y77 h ILE 453 N -0.03 0.51 -0.94 3.11 2.04 -1.78 -2.86 117.51 117.56 1y77 h ILE 453 Ca 0.16 -0.62 0.19 0.00 1.00 0.00 0.00 64.86 65.60 1y77 h ILE 453 Cb 0.43 0.75 -0.18 0.00 -0.74 0.00 0.00 36.82 37.09 1y77 h ILE 453 CO -0.92 0.09 -0.21 0.74 0.00 0.00 0.00 178.15 177.85 1y77 h THR 454 N -0.91 0.06 0.22 -0.27 2.02 -1.42 -2.11 112.91 110.51 1y77 h THR 454 Ca -0.05 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1y77 h THR 454 Cb 0.54 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1y77 h THR 454 CO 0.08 0.00 -0.11 0.77 0.37 0.00 0.00 175.52 176.64 1y77 h SER 455 N 0.00 -0.25 -0.44 4.18 4.64 -1.30 -3.20 113.55 117.18 1y77 h SER 455 Ca 0.46 0.01 0.05 0.00 -0.47 0.00 0.00 61.79 61.84 1y77 h SER 455 Cb 0.73 0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 62.82 1y77 h SER 455 CO -0.96 -0.07 -0.24 0.61 -0.87 0.00 0.00 176.83 175.30 1y77 n GLY 456 N 0.30 -1.09 0.22 -0.77 0.00 -0.99 0.14 105.19 103.00 1y77 n GLY 456 Ca -0.04 0.52 -0.00 0.00 0.00 0.00 0.00 46.02 46.50 1y77 n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y77 h LEU 457 N 0.00 -0.04 0.08 0.99 3.38 -1.50 -2.35 115.31 115.87 1y77 h LEU 457 Ca 0.09 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1y77 h LEU 457 Cb 0.20 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y77 h LEU 457 CO -0.42 -0.00 -0.07 0.11 0.09 0.00 0.00 178.44 178.15 1y77 h LYS 458 N 0.23 -0.13 -0.45 1.13 1.57 0.12 -1.91 116.57 117.12 1y77 h LYS 458 Ca 0.29 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.25 1y77 h LYS 458 Cb 0.42 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.68 1y77 h LYS 458 CO -0.39 -0.09 0.18 0.98 -0.57 0.00 0.00 179.45 179.56 1y77 n TYR 459 N -2.63 0.46 0.00 -1.35 9.36 -0.69 0.30 117.16 122.61 1y77 n TYR 459 Ca -0.02 0.54 0.00 0.00 3.32 0.00 0.00 57.90 61.74 1y77 n TYR 459 Cb 0.06 -0.95 0.00 0.00 -0.63 0.00 0.00 39.34 37.82 1y77 n TYR 459 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1y77 n ALA 460 N -2.88 -0.13 0.00 2.98 0.00 -0.92 -2.60 120.51 116.97 1y77 n ALA 460 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1y77 n ALA 460 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1y77 n ALA 460 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y77 n LEU 461 N -1.79 0.00 -0.03 0.00 4.32 0.03 -0.08 117.00 119.46 1y77 n LEU 461 Ca 0.00 0.32 -0.11 0.00 -0.02 0.00 0.00 56.01 56.20 1y77 n LEU 461 Cb 0.00 -0.32 -0.14 0.00 -1.62 0.00 0.00 43.42 41.34 1y77 n LEU 461 CO 0.00 -0.32 -0.64 0.00 -1.22 0.00 0.00 177.39 175.21 1y77 n ALA 462 N -1.31 1.40 -0.02 -1.18 0.00 0.15 -4.70 120.51 114.85 1y77 n ALA 462 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 53.44 52.59 1y77 n ALA 462 Cb 0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 1y77 n ALA 462 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1y77 n THR 463 N -3.09 1.35 0.00 0.00 -1.04 0.03 -5.02 114.28 106.52 1y77 n THR 463 Ca -0.21 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1y77 n THR 463 Cb 1.06 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1y77 n THR 463 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y77 n GLY 464 N 2.52 1.23 3.56 3.41 0.00 0.88 -4.78 105.19 112.02 1y77 n GLY 464 Ca -0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1y77 n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y77 s ASN 465 N -0.91 4.85 0.00 1.61 0.02 -1.26 -4.15 114.94 115.10 1y77 s ASN 465 Ca 0.00 -0.46 0.00 0.00 -1.02 0.00 0.00 52.86 51.38 1y77 s ASN 465 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.71 1y77 s ASN 465 CO 0.00 -2.99 0.16 0.79 0.02 0.00 0.00 177.10 175.08 1y77 n TRP 466 N 15.03 0.00 0.00 2.20 5.03 -1.26 -3.60 117.44 134.84 1y77 n TRP 466 Ca 0.41 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.94 1y77 n TRP 466 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.74 1y77 n TRP 466 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1y77 n GLY 467 N -0.17 0.00 6.78 6.99 0.00 -1.26 -4.66 105.19 112.87 1y77 n GLY 467 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y77 n GLY 467 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y77 n GLU 468 N 0.00 0.00 -4.27 1.61 1.02 -1.24 -4.76 120.64 113.01 1y77 n GLU 468 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1y77 n GLU 468 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1y77 n GLU 468 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1y77 s GLN 469 N 0.00 2.16 0.00 3.49 -2.07 -1.26 -4.93 119.66 117.05 1y77 s GLN 469 Ca 0.00 -1.72 0.00 0.00 -1.82 0.00 0.00 55.36 51.82 1y77 s GLN 469 Cb 0.00 -1.98 0.00 0.00 -1.09 0.00 0.00 33.01 29.94 1y77 s GLN 469 CO 0.00 0.10 0.00 1.63 -1.32 0.00 0.00 175.29 175.70 1y77 n LYS 470 N -1.03 0.00 -1.64 9.60 5.02 -1.26 -4.14 118.16 124.71 1y77 n LYS 470 Ca -0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.95 1y77 n LYS 470 Cb 0.62 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.69 1y77 n LYS 470 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1y77 n LYS 471 N 0.00 3.10 -3.78 1.97 5.02 -1.26 -4.94 118.16 118.27 1y77 n LYS 471 Ca 0.00 -3.68 -0.13 0.00 -2.02 0.00 0.00 58.31 52.48 1y77 n LYS 471 Cb 0.00 -2.29 -0.10 0.00 -0.02 0.00 0.00 35.03 32.62 1y77 n LYS 471 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y77 s ALA 472 N -3.73 -0.72 -0.03 7.82 0.00 -1.26 -5.02 121.76 118.81 1y77 s ALA 472 Ca 0.59 0.58 0.08 0.00 0.00 0.00 0.00 51.96 53.21 1y77 s ALA 472 Cb 0.47 -0.25 -0.24 0.00 0.00 0.00 0.00 23.12 23.10 1y77 s ALA 472 CO 0.01 -0.19 0.70 0.52 0.00 0.00 0.00 175.76 176.80 1y77 h MET 473 N 4.92 0.06 0.00 0.00 2.86 -1.92 -3.45 114.93 117.41 1y77 h MET 473 Ca -0.28 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1y77 h MET 473 Cb 1.19 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1y77 h MET 473 CO 0.35 0.71 0.00 -1.13 1.06 0.00 0.00 176.91 177.91 1y77 n SER 474 N -3.18 0.00 -4.45 1.22 3.41 -1.26 -4.51 113.62 104.85 1y77 n SER 474 Ca -0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.22 1y77 n SER 474 Cb 1.04 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.88 1y77 n SER 474 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y77 s SER 475 N 0.00 2.66 -0.39 4.04 1.04 -1.26 -4.53 113.70 115.26 1y77 s SER 475 Ca 0.00 -1.29 -0.29 0.00 0.48 0.00 0.00 55.95 54.86 1y77 s SER 475 Cb 0.00 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.99 1y77 s SER 475 CO 0.00 -0.47 1.09 -0.13 0.98 0.00 0.00 173.24 174.71 1y77 s ARG 476 N -3.80 3.91 -0.98 4.02 0.52 -1.26 -4.85 118.95 116.51 1y77 s ARG 476 Ca 0.33 0.83 -0.19 0.00 -0.52 0.00 0.00 55.73 56.18 1y77 s ARG 476 Cb 0.07 -3.81 0.11 0.00 0.52 0.00 0.00 34.95 31.84 1y77 s ARG 476 CO 0.14 -1.10 1.24 0.00 0.02 0.00 0.00 175.30 175.59 1y77 s ALA 477 N 3.97 3.25 0.00 2.13 0.00 -1.26 -3.78 121.76 126.07 1y77 s ALA 477 Ca 0.46 -2.69 0.00 0.00 0.00 0.00 0.00 51.96 49.73 1y77 s ALA 477 Cb -0.10 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.84 1y77 s ALA 477 CO 0.22 -3.13 0.00 0.41 0.00 0.00 0.00 175.76 173.26 1y77 n GLY 478 N 5.74 0.00 3.76 0.00 0.00 -1.26 -5.03 105.19 108.41 1y77 n GLY 478 Ca 0.27 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 1y77 n GLY 478 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y77 s VAL 479 N -0.28 2.62 -0.25 1.61 1.01 -1.25 -4.32 120.40 119.54 1y77 s VAL 479 Ca 0.00 0.47 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1y77 s VAL 479 Cb 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1y77 s VAL 479 CO 0.00 -0.00 0.08 -0.24 0.00 0.00 0.00 175.10 174.94 1y77 n SER 480 N -0.70 -5.55 -1.16 3.32 2.88 -1.18 -3.57 113.62 107.66 1y77 n SER 480 Ca 0.08 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 1y77 n SER 480 Cb 0.46 -5.12 0.00 0.00 -0.75 0.00 0.00 64.21 58.81 1y77 n SER 480 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y77 n GLN 481 N 1.09 2.21 -3.58 -1.46 6.02 -0.78 -4.41 117.38 116.46 1y77 n GLN 481 Ca -0.14 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.45 1y77 n GLN 481 Cb 0.23 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.38 1y77 n GLN 481 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1y77 s VAL 482 N 0.84 4.71 -0.37 5.09 1.01 -1.26 -1.64 120.40 128.78 1y77 s VAL 482 Ca 0.00 -0.73 -0.35 0.00 0.00 0.00 0.00 61.98 60.90 1y77 s VAL 482 Cb 0.00 -3.58 -0.15 0.00 0.00 0.00 0.00 36.38 32.65 1y77 s VAL 482 CO 0.00 -0.19 1.30 -0.11 0.00 0.00 0.00 175.10 176.11 1y77 n LEU 483 N 5.02 0.82 -4.56 3.92 7.94 -0.17 -4.77 117.00 125.20 1y77 n LEU 483 Ca -0.12 0.80 -0.37 0.00 -1.11 0.00 0.00 56.01 55.20 1y77 n LEU 483 Cb 0.47 -0.66 -0.03 0.00 0.53 0.00 0.00 43.42 43.72 1y77 n LEU 483 CO 0.37 -0.62 1.95 0.20 -1.11 0.00 0.00 177.39 178.18 1y77 s ASN 484 N 2.82 4.64 -0.77 1.96 -0.87 -1.26 -4.85 114.94 116.61 1y77 s ASN 484 Ca 0.82 1.08 -0.01 0.00 -1.57 0.00 0.00 52.86 53.17 1y77 s ASN 484 Cb -1.12 -2.51 0.38 0.00 -0.02 0.00 0.00 41.25 37.98 1y77 s ASN 484 CO 0.58 -2.72 1.96 0.54 -2.57 0.00 0.00 177.10 174.89 1y77 n ARG 485 N 9.00 2.80 -0.06 -0.60 3.00 -1.26 -3.53 116.66 126.00 1y77 n ARG 485 Ca 0.34 -3.54 -0.06 0.00 -0.01 0.00 0.00 57.85 54.58 1y77 n ARG 485 Cb 0.54 -2.27 -0.03 0.00 0.00 0.00 0.00 32.46 30.69 1y77 n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1y77 h TYR 486 N 2.72 0.00 -4.03 -1.55 0.99 -1.92 -3.46 116.97 109.72 1y77 h TYR 486 Ca 0.56 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 61.10 1y77 h TYR 486 Cb 0.30 0.00 -0.18 0.00 1.00 0.00 0.00 36.73 37.85 1y77 h TYR 486 CO 1.21 0.29 -0.70 0.99 -0.00 0.00 0.00 178.16 179.95 1y77 s THR 487 N -1.94 0.34 0.03 -2.88 2.01 -1.26 -4.40 115.64 107.54 1y77 s THR 487 Ca -0.10 -1.42 -0.10 0.00 0.31 0.00 0.00 61.69 60.39 1y77 s THR 487 Cb 0.01 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1y77 s THR 487 CO 0.22 -0.70 1.15 0.22 -0.69 0.00 0.00 174.62 174.82 1y77 h TYR 488 N 3.84 -0.41 -0.83 4.92 3.20 -1.78 0.19 116.97 126.09 1y77 h TYR 488 Ca -0.34 0.01 0.19 0.00 3.14 0.00 0.00 58.73 61.73 1y77 h TYR 488 Cb 1.18 0.17 -0.15 0.00 1.54 0.00 0.00 36.73 39.47 1y77 h TYR 488 CO 0.60 -0.17 -0.04 0.66 -1.64 0.00 0.00 178.16 177.58 1y77 h SER 489 N -0.22 -0.48 -0.49 -2.11 4.64 -1.87 0.33 113.55 113.35 1y77 h SER 489 Ca -0.01 0.23 0.09 0.00 -0.47 0.00 0.00 61.79 61.64 1y77 h SER 489 Cb 0.22 0.42 -0.08 0.00 -0.31 0.00 0.00 62.40 62.64 1y77 h SER 489 CO -0.07 -0.24 -0.00 -1.28 -0.87 0.00 0.00 176.83 174.37 1y77 h SER 490 N 0.06 -0.22 -0.63 4.97 0.87 -1.56 -1.43 113.55 115.60 1y77 h SER 490 Ca 0.46 0.12 0.04 0.00 -1.23 0.00 0.00 61.79 61.17 1y77 h SER 490 Cb 0.82 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 1y77 h SER 490 CO -0.78 -0.07 0.38 0.74 -0.53 0.00 0.00 176.83 176.57 1y77 h THR 491 N 0.11 1.05 0.50 2.23 2.02 0.27 -2.05 112.91 117.04 1y77 h THR 491 Ca 0.25 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1y77 h THR 491 Cb 0.37 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1y77 h THR 491 CO -0.41 0.13 -0.28 -0.07 0.37 0.00 0.00 175.52 175.26 1y77 h LEU 492 N 0.73 -0.68 -0.69 2.58 3.38 -0.79 -2.74 115.31 117.10 1y77 h LEU 492 Ca 0.26 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.44 1y77 h LEU 492 Cb 0.06 0.19 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 1y77 h LEU 492 CO -0.12 -0.44 -0.03 -0.24 0.09 0.00 0.00 178.44 177.69 1y77 n SER 493 N -4.06 -0.12 0.23 -0.43 2.88 -0.60 0.29 113.62 111.81 1y77 n SER 493 Ca -0.09 1.17 0.06 0.00 -1.33 0.00 0.00 58.87 58.68 1y77 n SER 493 Cb 0.29 -0.41 0.52 0.00 -0.75 0.00 0.00 64.21 63.86 1y77 n SER 493 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1y77 h HIS 494 N 0.00 0.00 0.00 0.66 -0.00 -1.09 -2.68 115.15 112.04 1y77 h HIS 494 Ca 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.67 1y77 h HIS 494 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 1y77 h HIS 494 CO -0.40 0.19 -0.47 -0.07 -0.00 0.00 0.00 177.93 177.18 1y77 h LEU 495 N 0.00 0.00 -3.25 0.26 3.38 0.47 -3.12 115.31 113.05 1y77 h LEU 495 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1y77 h LEU 495 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1y77 h LEU 495 CO 0.02 0.47 0.03 0.54 0.09 0.00 0.00 178.44 179.60 1y77 n ARG 496 N -3.54 4.28 -2.34 1.13 1.74 -1.01 -4.91 116.66 112.01 1y77 n ARG 496 Ca -0.00 -2.73 -0.31 0.00 -0.77 0.00 0.00 57.85 54.04 1y77 n ARG 496 Cb 0.58 -2.16 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 1y77 n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1y77 s ARG 497 N -2.55 3.81 0.04 5.56 3.52 -1.18 -2.46 118.95 125.69 1y77 s ARG 497 Ca 0.47 0.79 0.05 0.00 -0.13 0.00 0.00 55.73 56.91 1y77 s ARG 497 Cb 0.36 -2.17 -0.02 0.00 -1.56 0.00 0.00 34.95 31.56 1y77 s ARG 497 CO 0.14 -0.31 -0.15 0.99 -0.81 0.00 0.00 175.30 175.15 1y77 s THR 498 N -2.74 1.19 0.21 4.11 2.01 0.63 -2.72 115.64 118.34 1y77 s THR 498 Ca 0.56 -1.02 0.10 0.00 0.31 0.00 0.00 61.69 61.64 1y77 s THR 498 Cb -0.10 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1y77 s THR 498 CO 0.38 0.04 -0.18 0.21 -0.69 0.00 0.00 174.62 174.38 1y77 s ASN 499 N -1.13 3.01 0.04 3.53 2.47 0.25 -2.09 114.94 121.02 1y77 s ASN 499 Ca 0.03 -0.96 0.05 0.00 0.42 0.00 0.00 52.86 52.40 1y77 s ASN 499 Cb -0.08 -0.21 -0.02 0.00 -1.45 0.00 0.00 41.25 39.49 1y77 s ASN 499 CO 0.01 -0.03 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.33 1y77 s THR 500 N -2.40 1.11 -1.08 -5.21 2.01 -0.68 -0.51 115.64 108.88 1y77 s THR 500 Ca 0.22 -0.99 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 1y77 s THR 500 Cb -0.04 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.67 1y77 s THR 500 CO 0.10 0.01 1.20 -2.16 -0.69 0.00 0.00 174.62 173.07 1y77 s PRO 501 N -1.11 3.97 0.00 4.92 0.04 -1.26 -4.96 135.00 136.60 1y77 s PRO 501 Ca 0.02 -2.61 0.00 0.00 0.04 0.00 0.00 61.00 58.45 1y77 s PRO 501 Cb -0.08 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.66 1y77 s PRO 501 CO 0.01 -1.55 0.00 -0.89 0.04 0.00 0.00 177.00 174.61 1y77 n ILE 502 N 4.13 0.00 0.00 0.56 -0.00 -1.26 -5.06 119.36 117.73 1y77 n ILE 502 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.03 1y77 n ILE 502 Cb 0.43 -0.19 0.00 0.00 -0.00 0.00 0.00 39.64 39.89 1y77 n ILE 502 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1y77 n GLY 503 N 0.46 -2.10 0.00 7.39 0.00 -1.26 -4.99 105.19 104.69 1y77 n GLY 503 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1y77 n GLY 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y77 n ARG 504 N 0.00 1.01 -3.92 1.61 1.74 -1.26 -5.12 116.66 110.72 1y77 n ARG 504 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1y77 n ARG 504 Cb 0.00 -0.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.79 1y77 n ARG 504 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1y77 s ASP 505 N -1.49 5.82 0.52 0.55 1.01 -1.26 -5.08 116.67 116.73 1y77 s ASP 505 Ca 0.00 -0.17 -0.19 0.00 0.71 0.00 0.00 52.55 52.90 1y77 s ASP 505 Cb 0.00 -1.46 -0.11 0.00 1.01 0.00 0.00 42.92 42.36 1y77 s ASP 505 CO 0.00 -0.16 0.36 0.61 0.21 0.00 0.00 175.17 176.19 1y77 n GLY 506 N -1.36 -1.95 2.68 0.21 0.00 -1.26 -4.96 105.19 98.55 1y77 n GLY 506 Ca -0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1y77 n GLY 506 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y77 s LYS 507 N -1.69 0.18 -0.23 1.61 1.02 -1.26 -5.10 119.74 114.27 1y77 s LYS 507 Ca 0.64 -0.04 -0.06 0.00 0.02 0.00 0.00 55.97 56.54 1y77 s LYS 507 Cb -0.49 -1.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 1y77 s LYS 507 CO 0.58 -0.77 0.01 -1.17 -0.92 0.00 0.00 175.35 173.08 1y77 s LEU 508 N 2.24 3.20 0.00 3.17 2.96 -1.26 -4.84 118.68 124.15 1y77 s LEU 508 Ca 0.06 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1y77 s LEU 508 Cb -0.16 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1y77 s LEU 508 CO -0.18 -0.01 0.00 0.00 -1.32 0.00 0.00 176.35 174.84 1y77 n ALA 509 N 4.74 0.00 0.01 5.97 0.00 -1.26 -5.01 120.51 124.97 1y77 n ALA 509 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1y77 n ALA 509 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1y77 n ALA 509 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1y77 n LYS 510 N 0.00 0.01 0.04 0.00 2.85 -1.26 -3.29 118.16 116.51 1y77 n LYS 510 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1y77 n LYS 510 Cb 0.00 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 1y77 n LYS 510 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1y77 n PRO 511 N 0.24 0.00 -0.31 -1.58 -0.04 -1.26 -4.67 135.00 127.38 1y77 n PRO 511 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1y77 n PRO 511 Cb 0.00 -0.08 0.34 0.00 -0.04 0.00 0.00 33.50 33.72 1y77 n PRO 511 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y77 h ARG 512 N 0.00 0.37 -6.18 0.54 3.08 -1.72 -3.44 114.38 107.04 1y77 h ARG 512 Ca 0.00 -0.02 -0.31 0.00 0.07 0.00 0.00 59.98 59.72 1y77 h ARG 512 Cb 0.11 -0.08 0.17 0.00 0.08 0.00 0.00 29.97 30.25 1y77 h ARG 512 CO 0.00 0.25 -0.79 1.04 -1.07 0.00 0.00 179.97 179.39 1y77 n GLN 513 N -5.05 -1.73 -3.74 0.04 3.00 -1.21 -4.51 117.38 104.17 1y77 n GLN 513 Ca 0.24 -0.51 -0.38 0.00 -0.01 0.00 0.00 57.00 56.35 1y77 n GLN 513 Cb 0.72 -1.46 -0.12 0.00 0.00 0.00 0.00 30.24 29.38 1y77 n GLN 513 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1y77 s LEU 514 N 0.96 4.33 0.63 1.08 2.96 -1.26 -5.03 118.68 122.34 1y77 s LEU 514 Ca 0.40 -1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.11 1y77 s LEU 514 Cb -0.05 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.76 1y77 s LEU 514 CO 0.45 -0.33 0.97 -2.28 -1.32 0.00 0.00 176.35 173.85 1y77 s HIS 515 N 1.41 3.34 -0.01 5.38 5.65 -1.26 -5.00 115.29 124.80 1y77 s HIS 515 Ca -0.01 0.86 -0.24 0.00 0.25 0.00 0.00 55.06 55.92 1y77 s HIS 515 Cb -0.19 -2.82 -0.19 0.00 -1.18 0.00 0.00 32.58 28.20 1y77 s HIS 515 CO 0.03 -0.89 1.26 -0.91 -0.65 0.00 0.00 174.74 173.58 1y77 h ASN 516 N -0.33 0.11 -0.29 9.88 -0.26 -1.99 -2.68 115.58 120.03 1y77 h ASN 516 Ca -0.45 -0.52 0.08 0.00 -0.56 0.00 0.00 56.30 54.85 1y77 h ASN 516 Cb 1.24 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.46 1y77 h ASN 516 CO 0.62 0.61 0.34 0.71 -1.06 0.00 0.00 177.43 178.64 1y77 h THR 517 N -0.38 0.39 0.00 2.81 1.35 -1.95 0.49 112.91 115.62 1y77 h THR 517 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y77 h THR 517 Cb 0.58 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1y77 h THR 517 CO 0.01 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.69 1y77 n HIS 518 N -3.69 0.13 -1.90 4.73 8.25 -1.01 -4.66 115.22 117.07 1y77 n HIS 518 Ca 0.04 0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 1y77 n HIS 518 Cb 0.48 -0.59 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 1y77 n HIS 518 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1y77 s TRP 519 N -3.07 2.81 0.00 4.41 -0.11 0.17 -2.15 118.94 121.00 1y77 s TRP 519 Ca 0.03 1.08 0.00 0.00 1.22 0.00 0.00 56.10 58.44 1y77 s TRP 519 Cb 0.05 -3.93 0.00 0.00 -1.50 0.00 0.00 33.47 28.10 1y77 s TRP 519 CO 0.16 -2.86 0.00 0.41 -4.62 0.00 0.00 176.95 170.04 1y77 n GLY 520 N 1.34 1.57 0.12 5.86 0.00 -1.26 -4.64 105.19 108.18 1y77 n GLY 520 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1y77 n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y77 n LEU 521 N 0.00 2.05 -4.58 0.99 4.77 -1.16 -4.54 117.00 114.53 1y77 n LEU 521 Ca 0.00 0.33 -0.29 0.00 -0.03 0.00 0.00 56.01 56.02 1y77 n LEU 521 Cb 0.00 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.08 1y77 n LEU 521 CO 0.00 0.50 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.45 1y77 s VAL 522 N -2.45 3.31 0.37 4.08 1.01 -0.91 -0.97 120.40 124.84 1y77 s VAL 522 Ca -0.33 -1.40 -0.26 0.00 0.00 0.00 0.00 61.98 60.00 1y77 s VAL 522 Cb 0.10 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.81 1y77 s VAL 522 CO 0.57 0.04 1.13 0.00 0.00 0.00 0.00 175.10 176.84 1y77 h PRO 524 N 2.89 0.36 0.00 0.00 0.13 -1.89 -3.40 132.00 130.09 1y77 h PRO 524 Ca -0.48 -0.62 -0.06 0.00 -0.87 0.00 0.00 66.00 63.97 1y77 h PRO 524 Cb 1.22 0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.57 1y77 h PRO 524 CO 0.63 1.29 -1.16 0.00 -0.23 0.00 0.00 178.00 178.54 1y77 n ALA 525 N -2.81 2.29 -2.81 -0.56 0.00 -1.26 -4.83 120.51 110.52 1y77 n ALA 525 Ca -0.20 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 1y77 n ALA 525 Cb 0.96 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 1y77 n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y77 s GLU 526 N -3.20 3.13 -0.11 0.00 2.12 -1.26 -3.99 118.70 115.40 1y77 s GLU 526 Ca -0.01 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 1y77 s GLU 526 Cb 0.09 -4.21 0.09 0.00 0.26 0.00 0.00 34.13 30.36 1y77 s GLU 526 CO 0.80 -1.83 0.78 -0.08 -0.54 0.00 0.00 175.26 174.39 1y77 s THR 527 N 4.22 0.00 0.32 -1.70 -1.32 -1.26 -3.85 115.64 112.06 1y77 s THR 527 Ca 0.24 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.43 1y77 s THR 527 Cb -0.16 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.73 1y77 s THR 527 CO 0.11 0.00 1.40 -2.16 -2.21 0.00 0.00 174.62 171.76 1y77 s PRO 528 N -0.98 4.26 0.54 7.08 0.04 -1.26 -4.91 135.00 139.77 1y77 s PRO 528 Ca -0.07 2.35 -0.19 0.00 0.04 0.00 0.00 61.00 63.12 1y77 s PRO 528 Cb -0.01 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 1y77 s PRO 528 CO 0.06 -0.35 1.12 -1.21 0.04 0.00 0.00 177.00 176.66 1y77 s GLU 529 N -1.49 3.38 0.45 4.56 2.02 -1.26 -4.14 118.70 122.22 1y77 s GLU 529 Ca 0.53 1.57 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1y77 s GLU 529 Cb -0.42 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1y77 s GLU 529 CO 0.53 -0.81 0.00 0.41 0.02 0.00 0.00 175.26 175.41 1y77 n GLY 530 N 0.07 0.50 7.00 -1.39 0.00 -1.26 -4.66 105.19 105.45 1y77 n GLY 530 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1y77 n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y77 n GLN 531 N -0.03 0.00 -1.79 1.61 10.64 -1.26 -1.05 117.38 125.51 1y77 n GLN 531 Ca 0.00 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.83 1y77 n GLN 531 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1y77 n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1y77 n ALA 532 N 8.55 6.57 -2.66 2.61 0.00 -1.26 -4.85 120.51 129.46 1y77 n ALA 532 Ca 0.00 -3.61 -0.42 0.00 0.00 0.00 0.00 53.44 49.40 1y77 n ALA 532 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 19.45 17.05 1y77 n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 n GLY 534 N 3.48 0.72 0.07 0.00 0.00 -1.26 -4.70 105.19 103.49 1y77 n GLY 534 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 1y77 n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y77 n LEU 535 N 0.00 0.05 -4.36 0.99 4.77 -1.21 -4.13 117.00 113.10 1y77 n LEU 535 Ca 0.00 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.65 1y77 n LEU 535 Cb 0.00 0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 41.27 1y77 n LEU 535 CO 0.00 0.32 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.32 1y77 s VAL 536 N -2.84 3.52 0.23 4.08 1.01 -1.24 -1.69 120.40 123.45 1y77 s VAL 536 Ca -0.09 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1y77 s VAL 536 Cb 0.09 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1y77 s VAL 536 CO 0.86 0.44 -0.10 -0.54 0.00 0.00 0.00 175.10 175.75 1y77 s LYS 537 N 1.19 1.38 -0.14 2.72 1.02 -0.89 -4.54 119.74 120.48 1y77 s LYS 537 Ca 0.02 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 54.38 1y77 s LYS 537 Cb -0.14 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.11 1y77 s LYS 537 CO -0.01 0.11 -0.19 -0.80 -0.92 0.00 0.00 175.35 173.54 1y77 s ASN 538 N -3.34 3.42 0.51 2.83 0.01 -1.25 -0.27 114.94 116.84 1y77 s ASN 538 Ca 0.25 -0.51 -0.23 0.00 -0.71 0.00 0.00 52.86 51.66 1y77 s ASN 538 Cb 0.01 -1.50 -0.06 0.00 0.41 0.00 0.00 41.25 40.11 1y77 s ASN 538 CO 0.08 0.11 1.35 -0.76 -1.51 0.00 0.00 177.10 176.37 1y77 s LEU 539 N 0.66 3.94 0.00 0.60 1.43 -1.03 0.04 118.68 124.33 1y77 s LEU 539 Ca -0.09 2.75 -0.04 0.00 -1.03 0.00 0.00 54.13 55.71 1y77 s LEU 539 Cb -0.16 -4.18 0.06 0.00 0.03 0.00 0.00 46.19 41.95 1y77 s LEU 539 CO 0.02 -1.38 0.20 -1.20 0.23 0.00 0.00 176.35 174.22 1y77 n SER 540 N -0.73 -1.57 -0.03 2.29 7.64 -0.14 -4.43 113.62 116.65 1y77 n SER 540 Ca 0.09 -0.49 -0.00 0.00 1.01 0.00 0.00 58.87 59.47 1y77 n SER 540 Cb 0.44 -0.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1y77 n SER 540 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1y77 h LEU 541 N 0.00 -0.02 -1.54 -3.43 3.38 -1.29 -3.38 115.31 109.03 1y77 h LEU 541 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1y77 h LEU 541 Cb 0.25 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1y77 h LEU 541 CO 0.05 0.41 0.18 0.24 0.09 0.00 0.00 178.44 179.41 1y77 h MET 542 N -0.88 0.48 -6.40 1.13 2.86 -1.87 -3.45 114.93 106.80 1y77 h MET 542 Ca -0.00 -0.05 -0.61 0.00 -2.06 0.00 0.00 59.70 56.98 1y77 h MET 542 Cb 0.02 -0.10 0.13 0.00 0.06 0.00 0.00 31.60 31.71 1y77 h MET 542 CO 0.00 0.37 -0.16 -1.13 1.06 0.00 0.00 176.91 177.05 1y77 n SER 543 N -4.43 0.08 -3.32 1.22 3.41 -1.26 -4.69 113.62 104.62 1y77 n SER 543 Ca 0.02 1.03 -0.17 0.00 -0.26 0.00 0.00 58.87 59.48 1y77 n SER 543 Cb 0.11 -1.19 -0.07 0.00 -0.26 0.00 0.00 64.21 62.80 1y77 n SER 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y77 s ILE 545 N -3.30 1.28 0.06 0.00 1.01 -1.26 -1.30 121.20 117.70 1y77 s ILE 545 Ca 0.37 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.96 1y77 s ILE 545 Cb 0.01 -1.08 -0.08 0.00 0.01 0.00 0.00 42.46 41.32 1y77 s ILE 545 CO 0.25 0.31 1.68 -0.94 0.00 0.00 0.00 174.94 176.24 1y77 s SER 546 N -0.51 6.59 0.26 3.58 1.04 -0.81 -4.89 113.70 118.96 1y77 s SER 546 Ca 0.06 2.49 0.20 0.00 0.48 0.00 0.00 55.95 59.18 1y77 s SER 546 Cb -0.07 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.58 1y77 s SER 546 CO -0.00 -0.91 1.26 1.62 0.98 0.00 0.00 173.24 176.19 1y77 h VAL 547 N 4.90 0.29 0.00 5.02 3.04 -1.89 -0.35 116.25 127.26 1y77 h VAL 547 Ca -0.43 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 63.79 1y77 h VAL 547 Cb 1.20 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 1y77 h VAL 547 CO 0.93 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 178.27 1y77 n GLY 548 N 1.21 1.52 0.00 3.17 0.00 -1.26 -4.62 105.19 105.21 1y77 n GLY 548 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1y77 n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y77 n THR 549 N 2.87 0.00 -4.69 2.61 -1.04 -1.14 -4.94 114.28 107.95 1y77 n THR 549 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1y77 n THR 549 Cb 0.00 -0.31 -0.13 0.00 -1.82 0.00 0.00 70.33 68.07 1y77 n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1y77 s ASP 550 N -0.06 3.88 -0.07 8.00 -1.08 -1.26 -4.89 116.67 121.19 1y77 s ASP 550 Ca 0.00 -0.37 -0.17 0.00 -0.52 0.00 0.00 52.55 51.48 1y77 s ASP 550 Cb 0.00 -0.68 -0.13 0.00 -1.46 0.00 0.00 42.92 40.65 1y77 s ASP 550 CO 0.00 0.27 0.66 1.55 0.52 0.00 0.00 175.17 178.17 1y77 h PRO 551 N 4.66 -0.18 -0.84 4.34 0.13 -2.01 -3.40 132.00 134.70 1y77 h PRO 551 Ca -0.47 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 64.83 1y77 h PRO 551 Cb 1.15 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1y77 h PRO 551 CO 0.49 0.22 -0.25 0.52 -0.23 0.00 0.00 178.00 178.74 1y77 h MET 552 N -0.94 -0.02 0.00 0.86 2.86 -1.97 0.70 114.93 116.42 1y77 h MET 552 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1y77 h MET 552 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1y77 h MET 552 CO 0.03 -0.01 0.00 -0.35 1.06 0.00 0.00 176.91 177.64 1y77 n PRO 553 N -5.53 0.00 0.00 -0.22 -0.04 -1.26 0.66 135.00 128.61 1y77 n PRO 553 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1y77 n PRO 553 Cb 0.42 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1y77 n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1y77 n ILE 554 N -0.86 0.00 -0.07 0.52 5.41 0.15 -4.23 119.36 120.27 1y77 n ILE 554 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1y77 n ILE 554 Cb 0.00 0.14 -0.10 0.00 -0.71 0.00 0.00 39.64 38.97 1y77 n ILE 554 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1y77 h ILE 555 N 0.00 1.35 -0.88 1.39 2.04 0.68 -2.40 117.51 119.69 1y77 h ILE 555 Ca 0.00 -2.08 0.10 0.00 1.00 0.00 0.00 64.86 63.89 1y77 h ILE 555 Cb 0.18 2.61 -0.08 0.00 -0.74 0.00 0.00 36.82 38.80 1y77 h ILE 555 CO 0.00 0.46 0.52 0.74 0.00 0.00 0.00 178.15 179.87 1y77 h THR 556 N -1.00 0.91 -0.40 -0.27 2.02 -0.05 -1.47 112.91 112.65 1y77 h THR 556 Ca -0.04 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1y77 h THR 556 Cb 0.87 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1y77 h THR 556 CO -0.03 0.16 0.11 0.15 0.37 0.00 0.00 175.52 176.28 1y77 h PHE 557 N 0.85 0.66 0.53 3.16 -0.00 -1.69 -3.35 116.94 117.10 1y77 h PHE 557 Ca 0.43 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.97 58.30 1y77 h PHE 557 Cb 0.40 -0.19 -0.00 0.00 -0.00 0.00 0.00 35.95 36.16 1y77 h PHE 557 CO -0.05 0.62 -0.31 -0.07 -0.00 0.00 0.00 178.31 178.50 1y77 h LEU 558 N 0.50 -0.78 0.00 0.59 3.38 -0.73 -2.90 115.31 115.37 1y77 h LEU 558 Ca 0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1y77 h LEU 558 Cb 0.28 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1y77 h LEU 558 CO -0.00 -0.49 0.02 -1.54 0.09 0.00 0.00 178.44 176.52 1y77 n SER 559 N -4.31 0.00 -0.41 -0.43 3.41 -1.04 0.47 113.62 111.32 1y77 n SER 559 Ca -0.10 0.02 0.07 0.00 -0.26 0.00 0.00 58.87 58.61 1y77 n SER 559 Cb 0.32 -0.02 0.18 0.00 -0.26 0.00 0.00 64.21 64.43 1y77 n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1y77 n GLU 560 N -0.82 1.62 0.00 4.33 1.02 -1.09 -4.58 120.64 121.11 1y77 n GLU 560 Ca 0.00 -2.86 0.00 0.00 -0.02 0.00 0.00 57.16 54.28 1y77 n GLU 560 Cb 0.02 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1y77 n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1y77 n TRP 561 N -1.21 0.00 0.00 -0.32 7.02 0.18 -5.05 117.44 118.06 1y77 n TRP 561 Ca 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 1y77 n TRP 561 Cb 0.72 0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.64 1y77 n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1y77 n GLY 562 N 0.00 1.63 3.33 6.99 0.00 -1.20 -4.92 105.19 111.02 1y77 n GLY 562 Ca 0.00 -0.11 -0.55 0.00 0.00 0.00 0.00 46.02 45.36 1y77 n GLY 562 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y77 n MET 563 N 0.00 0.38 -2.79 1.61 0.00 -1.25 -4.71 117.12 110.37 1y77 n MET 563 Ca 0.00 0.10 -0.43 0.00 0.00 0.00 0.00 57.70 57.37 1y77 n MET 563 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 33.22 31.33 1y77 n MET 563 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1y77 s GLU 564 N 6.27 3.45 0.13 2.12 2.02 -0.98 -4.56 118.70 127.15 1y77 s GLU 564 Ca 1.17 0.01 -0.29 0.00 0.02 0.00 0.00 54.97 55.89 1y77 s GLU 564 Cb -1.25 -3.99 -0.16 0.00 0.10 0.00 0.00 34.13 28.83 1y77 s GLU 564 CO 0.59 -1.40 0.63 -0.35 0.02 0.00 0.00 175.26 174.75 1y77 n PRO 565 N 7.49 0.00 -0.05 0.39 -0.04 -1.26 -2.42 135.00 139.11 1y77 n PRO 565 Ca 0.05 0.00 0.23 0.00 -0.04 0.00 0.00 63.50 63.74 1y77 n PRO 565 Cb 0.48 -1.05 0.72 0.00 -0.04 0.00 0.00 33.50 33.61 1y77 n PRO 565 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1y77 h LEU 566 N 1.48 0.00 -0.54 1.53 5.85 -1.86 -2.22 115.31 119.54 1y77 h LEU 566 Ca -0.32 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.51 1y77 h LEU 566 Cb 1.31 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.23 1y77 h LEU 566 CO 0.54 0.00 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.10 1y77 h GLU 567 N 0.00 -0.08 -3.19 1.25 4.39 -1.92 -3.11 114.58 111.93 1y77 h GLU 567 Ca 0.30 0.01 -0.77 0.00 0.34 0.00 0.00 59.36 59.24 1y77 h GLU 567 Cb 1.30 0.02 -0.31 0.00 -0.10 0.00 0.00 28.75 29.67 1y77 h GLU 567 CO -0.00 -0.05 0.37 -0.25 -1.16 0.00 0.00 179.01 177.92 1y77 n ASP 568 N -5.41 5.42 -4.35 1.42 8.00 -0.84 -5.00 116.55 115.79 1y77 n ASP 568 Ca 0.05 -3.22 -0.31 0.00 0.71 0.00 0.00 54.79 52.02 1y77 n ASP 568 Cb 0.32 -1.22 -0.15 0.00 -0.02 0.00 0.00 41.12 40.05 1y77 n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1y77 s TYR 569 N -1.92 2.38 -0.33 1.24 5.04 -1.18 -4.85 117.35 117.74 1y77 s TYR 569 Ca 0.31 -0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1y77 s TYR 569 Cb -0.02 -1.48 0.12 0.00 0.35 0.00 0.00 41.96 40.92 1y77 s TYR 569 CO -0.02 0.05 0.17 0.14 -1.34 0.00 0.00 175.55 174.55 1y77 s VAL 570 N -0.70 0.22 0.00 3.14 -7.23 -1.26 -5.09 120.40 109.48 1y77 s VAL 570 Ca 0.11 -1.39 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1y77 s VAL 570 Cb -0.10 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.66 1y77 s VAL 570 CO 0.00 -0.86 0.30 -0.81 -0.31 0.00 0.00 175.10 173.42 1y77 n PRO 571 N 4.52 0.00 0.12 4.82 -0.04 -1.26 -1.12 135.00 142.04 1y77 n PRO 571 Ca 0.04 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1y77 n PRO 571 Cb 0.39 -0.53 0.47 0.00 -0.04 0.00 0.00 33.50 33.79 1y77 n PRO 571 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1y77 n HIS 572 N -1.19 0.61 0.08 0.54 1.44 -1.26 -1.34 115.22 114.10 1y77 n HIS 572 Ca 0.00 0.29 -0.06 0.00 -2.01 0.00 0.00 57.72 55.95 1y77 n HIS 572 Cb 0.00 -0.97 -0.03 0.00 0.12 0.00 0.00 29.99 29.11 1y77 n HIS 572 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 1y77 h GLN 573 N 0.00 0.02 -2.92 -1.40 4.15 -1.53 -3.37 115.11 110.05 1y77 h GLN 573 Ca 0.00 -0.02 -0.61 0.00 0.77 0.00 0.00 58.65 58.79 1y77 h GLN 573 Cb 0.12 0.01 -0.40 0.00 0.21 0.00 0.00 27.48 27.41 1y77 h GLN 573 CO 0.00 0.89 -0.75 -1.12 -1.93 0.00 0.00 178.83 175.92 1y77 s SER 574 N -6.77 3.52 -0.02 -0.69 0.01 -0.45 -5.02 113.70 104.28 1y77 s SER 574 Ca -0.00 -2.76 -0.23 0.00 1.31 0.00 0.00 55.95 54.27 1y77 s SER 574 Cb 0.11 -1.01 -0.16 0.00 0.21 0.00 0.00 66.02 65.17 1y77 s SER 574 CO 0.81 -0.24 1.05 1.55 0.41 0.00 0.00 173.24 176.82 1y77 h PRO 575 N 6.51 -0.35 -1.03 12.44 0.13 -1.72 -3.26 132.00 144.72 1y77 h PRO 575 Ca 0.03 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1y77 h PRO 575 Cb 0.91 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1y77 h PRO 575 CO 0.49 -0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.00 1y77 n ASP 576 N -5.06 2.30 -4.67 1.44 8.00 -1.26 -4.90 116.55 112.39 1y77 n ASP 576 Ca -0.09 -1.87 -0.47 0.00 0.71 0.00 0.00 54.79 53.07 1y77 n ASP 576 Cb 0.26 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 1y77 n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y77 n ALA 577 N 0.40 1.07 -2.78 2.24 0.00 -1.23 -4.91 120.51 115.30 1y77 n ALA 577 Ca 0.00 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.44 1y77 n ALA 577 Cb 0.40 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1y77 n ALA 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1y77 n THR 578 N 4.13 5.28 -0.85 0.00 -1.04 -1.11 -4.89 114.28 115.81 1y77 n THR 578 Ca 0.19 -5.88 -0.32 0.00 -2.04 0.00 0.00 64.05 56.01 1y77 n THR 578 Cb 0.29 -1.61 -0.04 0.00 -1.82 0.00 0.00 70.33 67.15 1y77 n THR 578 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1y77 n ARG 579 N 0.12 0.00 -4.37 -2.82 1.85 -1.25 -4.29 116.66 105.90 1y77 n ARG 579 Ca 0.40 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.91 1y77 n ARG 579 Cb 0.30 -0.76 -0.10 0.00 -1.05 0.00 0.00 32.46 30.85 1y77 n ARG 579 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1y77 s VAL 580 N -0.22 4.20 -0.01 8.89 1.01 -0.47 -1.66 120.40 132.13 1y77 s VAL 580 Ca 0.47 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1y77 s VAL 580 Cb -0.66 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1y77 s VAL 580 CO 0.33 0.57 -0.22 -0.36 0.00 0.00 0.00 175.10 175.41 1y77 s PHE 581 N -0.50 2.44 -0.03 5.22 0.40 0.74 -2.79 117.98 123.46 1y77 s PHE 581 Ca 0.08 -0.35 -0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1y77 s PHE 581 Cb -0.12 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 41.92 1y77 s PHE 581 CO 0.02 0.06 0.03 0.54 0.70 0.00 0.00 175.22 176.58 1y77 s VAL 582 N -0.69 -0.05 -1.65 -0.44 0.11 -0.41 -0.59 120.40 116.67 1y77 s VAL 582 Ca 0.11 0.26 -0.13 0.00 -2.93 0.00 0.00 61.98 59.29 1y77 s VAL 582 Cb -0.10 -0.11 0.12 0.00 -1.53 0.00 0.00 36.38 34.75 1y77 s VAL 582 CO 0.00 0.12 0.59 0.59 -3.33 0.00 0.00 175.10 173.07 1y77 n ASN 583 N 4.46 -1.97 -1.46 3.54 4.13 0.21 -0.53 115.26 123.63 1y77 n ASN 583 Ca -0.22 -1.08 -0.12 0.00 1.68 0.00 0.00 54.58 54.84 1y77 n ASN 583 Cb 0.50 -2.51 0.00 0.00 -1.54 0.00 0.00 39.78 36.23 1y77 n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1y77 n GLY 584 N -1.61 -0.08 3.15 7.41 0.00 -1.26 -4.98 105.19 107.81 1y77 n GLY 584 Ca -0.05 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1y77 n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y77 s VAL 585 N -2.67 1.06 -0.53 1.61 1.01 0.31 -4.85 120.40 116.34 1y77 s VAL 585 Ca 0.05 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 1y77 s VAL 585 Cb -0.02 -1.00 0.10 0.00 0.00 0.00 0.00 36.38 35.46 1y77 s VAL 585 CO 0.06 -0.11 0.54 0.86 0.00 0.00 0.00 175.10 176.45 1y77 s TRP 586 N -1.04 3.15 -0.70 5.22 -0.00 -1.26 -1.28 118.94 123.03 1y77 s TRP 586 Ca -0.01 -0.98 0.13 0.00 -0.00 0.00 0.00 56.10 55.24 1y77 s TRP 586 Cb -0.09 -3.63 0.67 0.00 -0.00 0.00 0.00 33.47 30.41 1y77 s TRP 586 CO 0.02 -1.03 1.54 0.72 -0.00 0.00 0.00 176.95 178.19 1y77 n HIS 587 N 5.66 1.58 0.00 5.86 8.25 -1.12 -4.84 115.22 130.61 1y77 n HIS 587 Ca -0.11 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 1y77 n HIS 587 Cb 0.42 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1y77 n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y77 n GLY 588 N 0.72 0.41 0.00 -1.41 0.00 -1.26 -3.60 105.19 100.06 1y77 n GLY 588 Ca 0.23 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1y77 n GLY 588 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1y77 n VAL 589 N 0.00 0.00 0.00 1.61 0.31 -1.02 -1.37 118.33 117.87 1y77 n VAL 589 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1y77 n VAL 589 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1y77 n VAL 589 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1y77 n HIS 590 N 0.00 0.00 0.00 3.52 -0.00 -1.26 -2.31 115.22 115.17 1y77 n HIS 590 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1y77 n HIS 590 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1y77 n HIS 590 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1y77 n ARG 591 N -0.25 3.71 -0.79 1.57 1.74 -1.26 -2.74 116.66 118.63 1y77 n ARG 591 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1y77 n ARG 591 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1y77 n ARG 591 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1y77 n ASN 592 N 0.00 -0.09 -0.01 0.55 2.85 -1.26 -4.75 115.26 112.55 1y77 n ASN 592 Ca 0.00 -0.01 -0.01 0.00 -0.11 0.00 0.00 54.58 54.46 1y77 n ASN 592 Cb 0.00 -0.43 -0.11 0.00 1.24 0.00 0.00 39.78 40.48 1y77 n ASN 592 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1y77 n PRO 593 N 4.05 0.64 -0.34 1.20 -0.04 -1.26 -4.32 135.00 134.94 1y77 n PRO 593 Ca 0.35 0.11 0.28 0.00 -0.04 0.00 0.00 63.50 64.20 1y77 n PRO 593 Cb 0.03 -1.70 0.48 0.00 -0.04 0.00 0.00 33.50 32.27 1y77 n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y77 n ALA 594 N -2.46 0.96 -0.09 0.55 0.00 -1.26 0.16 120.51 118.38 1y77 n ALA 594 Ca -0.14 0.60 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 1y77 n ALA 594 Cb 0.88 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 1y77 n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 h ARG 595 N 0.00 0.00 -1.03 0.00 3.08 -1.97 -3.22 114.38 111.24 1y77 h ARG 595 Ca 0.61 0.00 0.40 0.00 0.07 0.00 0.00 59.98 61.07 1y77 h ARG 595 Cb 2.00 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.88 1y77 h ARG 595 CO -0.31 0.77 0.57 1.25 -1.07 0.00 0.00 179.97 181.18 1y77 h LEU 596 N -1.00 0.35 0.00 3.04 5.85 0.14 0.27 115.31 123.96 1y77 h LEU 596 Ca -0.18 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1y77 h LEU 596 Cb 1.00 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1y77 h LEU 596 CO -0.11 -0.36 0.00 0.80 -0.34 0.00 0.00 178.44 178.43 1y77 n MET 597 N -5.17 0.00 0.00 1.25 1.56 0.11 -2.47 117.12 112.40 1y77 n MET 597 Ca 0.37 0.43 0.00 0.00 -0.27 0.00 0.00 57.70 58.22 1y77 n MET 597 Cb 1.25 -1.27 0.00 0.00 2.15 0.00 0.00 33.22 35.35 1y77 n MET 597 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1y77 n GLU 598 N -1.78 0.00 0.12 2.12 2.13 -0.61 0.16 120.64 122.79 1y77 n GLU 598 Ca 0.00 0.36 0.06 0.00 0.66 0.00 0.00 57.16 58.24 1y77 n GLU 598 Cb 0.00 -1.64 0.02 0.00 0.27 0.00 0.00 31.44 30.09 1y77 n GLU 598 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1y77 h THR 599 N 0.00 0.36 0.11 6.31 2.02 -0.42 -3.21 112.91 118.08 1y77 h THR 599 Ca 0.00 -1.58 -0.34 0.00 0.77 0.00 0.00 66.41 65.26 1y77 h THR 599 Cb 0.27 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1y77 h THR 599 CO 0.00 0.20 -1.86 -0.07 0.37 0.00 0.00 175.52 174.17 1y77 h LEU 600 N 0.00 0.35 -2.44 2.58 3.38 0.19 -3.23 115.31 116.14 1y77 h LEU 600 Ca -0.05 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.06 1y77 h LEU 600 Cb 1.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1y77 h LEU 600 CO 0.03 1.79 0.04 0.03 0.09 0.00 0.00 178.44 180.42 1y77 h ARG 601 N -0.12 0.00 0.00 1.13 3.08 -1.43 0.11 114.38 117.15 1y77 h ARG 601 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1y77 h ARG 601 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1y77 h ARG 601 CO 0.04 0.00 -0.95 2.41 -1.07 0.00 0.00 179.97 180.40 1y77 n THR 602 N -3.81 0.17 0.13 2.04 -1.04 -1.21 -2.78 114.28 107.77 1y77 n THR 602 Ca -0.02 -0.22 -0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1y77 n THR 602 Cb 0.13 0.21 0.06 0.00 -1.82 0.00 0.00 70.33 68.91 1y77 n THR 602 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1y77 h LEU 603 N 0.00 0.00 0.00 -4.42 7.12 -0.82 -3.25 115.31 113.95 1y77 h LEU 603 Ca 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 1y77 h LEU 603 Cb 0.70 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 1y77 h LEU 603 CO 0.00 0.64 -0.38 -0.09 -0.13 0.00 0.00 178.44 178.47 1y77 h ARG 604 N 0.00 0.00 0.00 1.25 2.43 -1.47 -0.57 114.38 116.02 1y77 h ARG 604 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1y77 h ARG 604 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1y77 h ARG 604 CO 0.08 0.93 0.00 0.54 -1.51 0.00 0.00 179.97 180.01 1y77 n ARG 605 N -4.57 0.00 -0.02 0.20 1.74 -1.12 0.31 116.66 113.21 1y77 n ARG 605 Ca -0.16 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.91 1y77 n ARG 605 Cb 0.51 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 1y77 n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1y77 n LYS 606 N -0.81 2.75 0.00 5.56 4.81 -1.23 -1.64 118.16 127.60 1y77 n LYS 606 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1y77 n LYS 606 Cb 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 33.95 1y77 n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y77 n GLY 607 N 2.66 1.39 0.09 3.14 0.00 0.15 -4.80 105.19 107.82 1y77 n GLY 607 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1y77 n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y77 h ASP 608 N 0.00 0.18 -3.55 1.61 3.32 -1.30 -3.41 116.42 113.27 1y77 h ASP 608 Ca 0.00 -0.26 -0.67 0.00 0.02 0.00 0.00 57.03 56.11 1y77 h ASP 608 Cb 0.00 -0.06 -0.28 0.00 0.22 0.00 0.00 39.33 39.21 1y77 h ASP 608 CO 0.00 1.22 -0.68 -0.63 -1.72 0.00 0.00 179.24 177.44 1y77 s ILE 609 N -2.63 3.55 -0.40 0.35 1.01 -0.95 -4.99 121.20 117.14 1y77 s ILE 609 Ca -0.06 -0.75 -0.37 0.00 0.00 0.00 0.00 60.65 59.47 1y77 s ILE 609 Cb 0.08 -2.78 -0.16 0.00 0.01 0.00 0.00 42.46 39.61 1y77 s ILE 609 CO 0.83 0.18 1.36 -3.20 0.00 0.00 0.00 174.94 174.11 1y77 n ASN 610 N 4.79 0.91 0.04 3.58 2.85 -1.26 -4.35 115.26 121.83 1y77 n ASN 610 Ca -0.16 0.89 0.01 0.00 -0.11 0.00 0.00 54.58 55.21 1y77 n ASN 610 Cb 0.48 -0.71 0.05 0.00 1.24 0.00 0.00 39.78 40.84 1y77 n ASN 610 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1y77 n PRO 611 N 3.70 0.01 -0.03 1.20 -0.02 -1.26 -1.63 135.00 136.97 1y77 n PRO 611 Ca 0.28 0.24 -0.01 0.00 -2.02 0.00 0.00 63.50 61.99 1y77 n PRO 611 Cb -0.05 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 1y77 n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1y77 h GLU 612 N 0.00 -0.05 -5.88 -0.52 4.81 -1.90 -3.35 114.58 107.69 1y77 h GLU 612 Ca 0.00 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.61 1y77 h GLU 612 Cb 0.80 0.01 0.15 0.00 0.63 0.00 0.00 28.75 30.33 1y77 h GLU 612 CO 0.00 0.01 -0.85 0.28 -0.73 0.00 0.00 179.01 177.72 1y77 n VAL 613 N -4.81 0.89 -4.77 0.32 0.31 -0.65 -4.94 118.33 104.69 1y77 n VAL 613 Ca -0.01 -0.49 -0.29 0.00 -0.01 0.00 0.00 64.34 63.54 1y77 n VAL 613 Cb 0.04 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.83 1y77 n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1y77 s SER 614 N -0.98 2.96 -0.02 4.52 1.04 -0.08 -4.99 113.70 116.16 1y77 s SER 614 Ca 0.59 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1y77 s SER 614 Cb -0.68 -0.25 0.02 0.00 0.10 0.00 0.00 66.02 65.21 1y77 s SER 614 CO 0.60 0.22 0.00 -0.04 0.98 0.00 0.00 173.24 175.01 1y77 s MET 615 N -1.31 0.18 -0.04 4.02 -1.94 -1.26 0.91 119.30 119.87 1y77 s MET 615 Ca 0.11 0.08 0.04 0.00 -1.71 0.00 0.00 55.69 54.20 1y77 s MET 615 Cb -0.10 -0.36 -0.00 0.00 2.01 0.00 0.00 34.83 36.38 1y77 s MET 615 CO 0.02 -0.11 -0.16 0.42 -0.01 0.00 0.00 175.02 175.19 1y77 s ILE 616 N 0.84 1.31 -0.35 2.53 1.09 0.34 -4.91 121.20 122.03 1y77 s ILE 616 Ca -0.08 -0.65 -0.09 0.00 -1.10 0.00 0.00 60.65 58.74 1y77 s ILE 616 Cb -0.11 -1.13 0.03 0.00 -1.06 0.00 0.00 42.46 40.19 1y77 s ILE 616 CO -0.02 0.38 0.16 -0.60 -0.10 0.00 0.00 174.94 174.76 1y77 s ARG 617 N 0.09 2.76 -1.11 2.79 3.52 -1.26 -1.50 118.95 124.23 1y77 s ARG 617 Ca -0.04 -1.11 -0.08 0.00 -0.13 0.00 0.00 55.73 54.37 1y77 s ARG 617 Cb -0.11 -3.60 0.28 0.00 -1.56 0.00 0.00 34.95 29.96 1y77 s ARG 617 CO 0.02 -0.67 1.18 -3.47 -0.81 0.00 0.00 175.30 171.55 1y77 n ASP 618 N 4.91 5.66 0.04 -2.12 -0.08 -0.95 -4.91 116.55 119.10 1y77 n ASP 618 Ca -0.12 -3.09 -0.07 0.00 -1.51 0.00 0.00 54.79 49.99 1y77 n ASP 618 Cb 0.46 -1.37 -0.04 0.00 2.34 0.00 0.00 41.12 42.51 1y77 n ASP 618 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1y77 h ILE 619 N 3.61 0.00 0.00 5.18 2.04 -1.94 0.54 117.51 126.94 1y77 h ILE 619 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1y77 h ILE 619 Cb 0.83 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1y77 h ILE 619 CO 1.07 0.00 0.65 0.03 0.00 0.00 0.00 178.15 179.90 1y77 h ARG 620 N -0.32 0.00 0.00 2.37 3.08 -1.98 1.36 114.38 118.89 1y77 h ARG 620 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1y77 h ARG 620 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1y77 h ARG 620 CO -0.13 0.00 -0.75 -1.91 -1.07 0.00 0.00 179.97 176.10 1y77 n GLU 621 N -2.31 2.81 -2.98 0.04 4.07 -0.58 -5.05 120.64 116.64 1y77 n GLU 621 Ca -0.01 -0.03 -0.07 0.00 -0.06 0.00 0.00 57.16 56.99 1y77 n GLU 621 Cb 0.67 -1.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.08 1y77 n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1y77 n LYS 622 N -1.41 -1.61 -3.77 5.31 5.02 0.47 -5.02 118.16 117.14 1y77 n LYS 622 Ca 0.00 1.07 -0.13 0.00 -2.02 0.00 0.00 58.31 57.23 1y77 n LYS 622 Cb 0.16 -5.34 -0.09 0.00 -0.02 0.00 0.00 35.03 29.74 1y77 n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1y77 s GLU 623 N -3.65 0.67 -0.22 1.97 2.02 -1.05 -3.78 118.70 114.65 1y77 s GLU 623 Ca 0.22 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 54.96 1y77 s GLU 623 Cb -0.03 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.54 1y77 s GLU 623 CO 0.66 -0.19 -0.12 -1.17 0.02 0.00 0.00 175.26 174.47 1y77 s LEU 624 N -1.43 2.63 -0.21 1.80 2.96 -0.67 -2.25 118.68 121.51 1y77 s LEU 624 Ca -0.13 -1.02 -0.07 0.00 -0.22 0.00 0.00 54.13 52.70 1y77 s LEU 624 Cb -0.05 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1y77 s LEU 624 CO 0.03 -0.13 0.05 -0.54 -1.32 0.00 0.00 176.35 174.43 1y77 s LYS 625 N 1.28 3.75 -0.05 1.98 -0.14 -0.56 0.26 119.74 126.26 1y77 s LYS 625 Ca -0.03 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.14 1y77 s LYS 625 Cb -0.17 -3.22 0.02 0.00 -1.68 0.00 0.00 37.83 32.79 1y77 s LYS 625 CO -0.08 0.02 -0.02 0.42 -0.76 0.00 0.00 175.35 174.93 1y77 s ILE 626 N 1.03 0.45 0.01 2.17 1.01 0.24 0.13 121.20 126.23 1y77 s ILE 626 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.74 1y77 s ILE 626 Cb -0.14 -0.53 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1y77 s ILE 626 CO 0.03 0.23 -0.23 -0.36 0.00 0.00 0.00 174.94 174.61 1y77 s PHE 627 N 1.29 2.01 -0.01 3.97 0.40 0.26 0.63 117.98 126.53 1y77 s PHE 627 Ca -0.05 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1y77 s PHE 627 Cb -0.13 -1.25 -0.01 0.00 0.51 0.00 0.00 43.02 42.14 1y77 s PHE 627 CO -0.02 0.04 0.01 2.41 0.70 0.00 0.00 175.22 178.36 1y77 n THR 628 N 2.16 0.05 -0.23 0.64 -1.04 -1.26 -0.90 114.28 113.70 1y77 n THR 628 Ca -0.16 -0.04 -0.07 0.00 -2.04 0.00 0.00 64.05 61.74 1y77 n THR 628 Cb 0.53 -0.48 -0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1y77 n THR 628 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1y77 n ASP 629 N -1.87 -0.53 -4.49 8.00 -0.08 -1.26 -2.90 116.55 113.41 1y77 n ASP 629 Ca -0.01 0.14 -0.43 0.00 -1.51 0.00 0.00 54.79 52.98 1y77 n ASP 629 Cb 0.36 -0.16 -0.06 0.00 2.34 0.00 0.00 41.12 43.61 1y77 n ASP 629 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1y77 s ALA 630 N -0.31 3.33 0.00 -1.67 0.00 -1.26 -4.19 121.76 117.66 1y77 s ALA 630 Ca 0.10 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1y77 s ALA 630 Cb -0.11 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1y77 s ALA 630 CO 0.11 -1.99 0.00 0.41 0.00 0.00 0.00 175.76 174.29 1y77 n GLY 631 N 5.11 0.98 3.48 0.00 0.00 -0.14 -4.83 105.19 109.79 1y77 n GLY 631 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1y77 n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y77 s ARG 632 N 0.00 3.63 0.08 1.61 0.52 -1.26 -2.26 118.95 121.27 1y77 s ARG 632 Ca 0.00 -0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 54.39 1y77 s ARG 632 Cb 0.00 -3.48 -0.07 0.00 0.52 0.00 0.00 34.95 31.92 1y77 s ARG 632 CO 0.00 -0.26 1.33 0.08 0.02 0.00 0.00 175.30 176.47 1y77 s VAL 633 N 1.65 3.59 0.03 3.52 1.01 -1.26 -1.92 120.40 127.02 1y77 s VAL 633 Ca 0.06 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1y77 s VAL 633 Cb -0.16 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1y77 s VAL 633 CO 0.06 0.08 -0.04 -0.72 0.00 0.00 0.00 175.10 174.48 1y77 s TYR 634 N 1.23 0.40 0.47 5.22 -0.85 -0.42 -3.81 117.35 119.60 1y77 s TYR 634 Ca 0.63 -0.61 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 1y77 s TYR 634 Cb -0.34 -0.27 0.00 0.00 0.38 0.00 0.00 41.96 41.73 1y77 s TYR 634 CO 0.29 -0.19 0.02 2.89 -1.52 0.00 0.00 175.55 177.04 1y77 n ARG 635 N 1.30 0.87 -4.31 -3.49 1.85 -1.03 -1.03 116.66 110.82 1y77 n ARG 635 Ca -0.22 -3.38 -0.30 0.00 -1.00 0.00 0.00 57.85 52.94 1y77 n ARG 635 Cb 0.56 0.88 -0.10 0.00 -1.05 0.00 0.00 32.46 32.75 1y77 n ARG 635 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1y77 s PRO 636 N -3.70 2.29 0.02 2.89 0.04 -1.26 -1.86 135.00 133.43 1y77 s PRO 636 Ca 0.01 -0.92 -0.04 0.00 0.04 0.00 0.00 61.00 60.09 1y77 s PRO 636 Cb -0.00 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1y77 s PRO 636 CO 0.01 0.54 0.07 -0.51 0.04 0.00 0.00 177.00 177.14 1y77 s LEU 637 N -1.96 1.89 0.41 -3.56 1.43 -0.56 -4.67 118.68 111.66 1y77 s LEU 637 Ca 0.20 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 1y77 s LEU 637 Cb -0.11 0.47 -0.10 0.00 0.03 0.00 0.00 46.19 46.48 1y77 s LEU 637 CO 0.12 -0.43 0.99 -0.36 0.23 0.00 0.00 176.35 176.90 1y77 s PHE 638 N -2.08 3.33 -0.08 0.29 2.99 -0.29 -1.46 117.98 120.68 1y77 s PHE 638 Ca -0.10 1.65 -0.04 0.00 0.00 0.00 0.00 56.93 58.44 1y77 s PHE 638 Cb -0.05 -2.97 -0.04 0.00 0.00 0.00 0.00 43.02 39.96 1y77 s PHE 638 CO -0.02 -0.29 0.11 0.42 -0.00 0.00 0.00 175.22 175.44 1y77 s ILE 639 N -1.89 5.18 -0.29 0.64 1.01 -0.80 -1.12 121.20 123.93 1y77 s ILE 639 Ca 0.59 -0.02 0.15 0.00 0.00 0.00 0.00 60.65 61.37 1y77 s ILE 639 Cb -0.16 -3.29 -0.20 0.00 0.01 0.00 0.00 42.46 38.83 1y77 s ILE 639 CO 0.20 0.53 0.44 0.52 0.00 0.00 0.00 174.94 176.63 1y77 n VAL 640 N 1.72 0.00 0.00 2.92 0.31 0.73 -1.33 118.33 122.68 1y77 n VAL 640 Ca -0.17 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1y77 n VAL 640 Cb 0.54 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.98 1y77 n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1y77 n GLU 641 N -1.73 0.00 0.00 5.55 -0.58 -1.26 -2.13 120.64 120.49 1y77 n GLU 641 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1y77 n GLU 641 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.19 1y77 n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1y77 n ASP 642 N 0.00 0.00 -3.28 1.62 5.75 -1.26 -4.13 116.55 115.25 1y77 n ASP 642 Ca 0.00 0.03 -0.09 0.00 -0.01 0.00 0.00 54.79 54.72 1y77 n ASP 642 Cb 0.00 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.04 1y77 n ASP 642 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1y77 n ASP 643 N -0.99 0.12 -3.73 -1.12 8.00 -1.26 -4.50 116.55 113.08 1y77 n ASP 643 Ca 0.00 -1.68 -0.29 0.00 0.71 0.00 0.00 54.79 53.52 1y77 n ASP 643 Cb 0.00 -0.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.61 1y77 n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1y77 s GLU 644 N 4.44 1.41 0.14 -1.24 -6.30 -1.26 -4.96 118.70 110.92 1y77 s GLU 644 Ca 0.14 -2.16 0.05 0.00 -2.50 0.00 0.00 54.97 50.50 1y77 s GLU 644 Cb 0.03 -2.45 0.30 0.00 0.00 0.00 0.00 34.13 32.01 1y77 s GLU 644 CO 0.07 -1.18 1.01 -1.13 0.02 0.00 0.00 175.26 174.05 1y77 n SER 645 N 3.35 0.14 -2.94 -1.70 3.41 -1.26 -2.09 113.62 112.54 1y77 n SER 645 Ca 0.10 0.40 -0.37 0.00 -0.26 0.00 0.00 58.87 58.75 1y77 n SER 645 Cb 0.35 -0.38 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1y77 n SER 645 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y77 n LEU 646 N -1.61 6.86 0.00 1.04 4.77 -1.26 -5.02 117.00 121.78 1y77 n LEU 646 Ca -0.00 -5.02 0.00 0.00 -0.03 0.00 0.00 56.01 50.96 1y77 n LEU 646 Cb 0.25 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1y77 n LEU 646 CO 0.02 1.91 0.00 0.61 -1.33 0.00 0.00 177.39 178.61 1y77 n GLY 647 N -0.45 0.58 0.00 -0.72 0.00 -0.89 -5.09 105.19 98.63 1y77 n GLY 647 Ca 0.49 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1y77 n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1y77 n HIS 648 N 4.51 0.00 -3.18 1.61 1.44 -1.26 -4.75 115.22 113.58 1y77 n HIS 648 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1y77 n HIS 648 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1y77 n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1y77 s LYS 649 N 0.00 3.87 -0.21 -1.40 2.47 -1.26 -4.33 119.74 118.89 1y77 s LYS 649 Ca 0.00 0.47 -0.29 0.00 -1.56 0.00 0.00 55.97 54.59 1y77 s LYS 649 Cb 0.00 -2.50 0.14 0.00 -1.46 0.00 0.00 37.83 34.00 1y77 s LYS 649 CO 0.00 0.17 1.07 -2.00 0.16 0.00 0.00 175.35 174.75 1y77 s GLU 650 N -3.13 0.49 -0.03 4.03 2.56 -0.90 -4.91 118.70 116.80 1y77 s GLU 650 Ca 0.51 0.23 -0.37 0.00 0.00 0.00 0.00 54.97 55.34 1y77 s GLU 650 Cb -0.11 0.23 -0.16 0.00 2.00 0.00 0.00 34.13 36.10 1y77 s GLU 650 CO 0.22 -0.13 1.51 1.28 -0.56 0.00 0.00 175.26 177.58 1y77 n LEU 651 N 1.10 2.08 0.15 2.70 4.77 -1.25 -4.23 117.00 122.33 1y77 n LEU 651 Ca -0.10 1.09 0.06 0.00 -0.03 0.00 0.00 56.01 57.04 1y77 n LEU 651 Cb 0.57 -1.20 0.53 0.00 -2.33 0.00 0.00 43.42 40.99 1y77 n LEU 651 CO 0.11 -0.75 1.07 0.11 -1.33 0.00 0.00 177.39 176.61 1y77 h LYS 652 N 5.72 0.21 -6.96 3.23 1.57 -1.45 -3.42 116.57 115.47 1y77 h LYS 652 Ca -0.47 -0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 57.83 1y77 h LYS 652 Cb 1.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1y77 h LYS 652 CO 0.85 0.18 0.36 0.08 -0.57 0.00 0.00 179.45 180.34 1y77 s VAL 653 N -5.15 4.17 0.09 0.50 1.01 -1.26 -5.05 120.40 114.71 1y77 s VAL 653 Ca -0.06 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.54 1y77 s VAL 653 Cb 0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1y77 s VAL 653 CO 0.70 -0.05 -0.07 -0.13 0.00 0.00 0.00 175.10 175.55 1y77 s ARG 654 N -2.54 0.81 0.00 2.72 1.81 -1.26 -4.84 118.95 115.64 1y77 s ARG 654 Ca 0.56 -1.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 1y77 s ARG 654 Cb -0.16 -0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.11 1y77 s ARG 654 CO 0.21 -0.01 0.56 1.17 -0.68 0.00 0.00 175.30 176.55 1y77 n LYS 655 N 0.11 0.00 -0.05 3.54 4.81 -1.21 0.11 118.16 125.46 1y77 n LYS 655 Ca -0.13 0.13 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1y77 n LYS 655 Cb 0.60 -1.76 -0.13 0.00 0.02 0.00 0.00 35.03 33.76 1y77 n LYS 655 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1y77 h GLY 656 N 0.00 0.12 0.22 3.14 0.00 -1.81 -2.48 103.07 102.26 1y77 h GLY 656 Ca 0.00 -0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.16 1y77 h GLY 656 CO 0.00 0.28 0.41 0.45 0.00 0.00 0.00 176.54 177.68 1y77 h HIS 657 N -0.65 0.72 0.73 5.60 3.86 0.52 0.90 115.15 126.83 1y77 h HIS 657 Ca -0.31 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 58.90 1y77 h HIS 657 Cb 1.51 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 29.79 1y77 h HIS 657 CO 0.12 0.16 -0.35 0.82 0.86 0.00 0.00 177.93 179.54 1y77 h ILE 658 N 0.59 0.00 -0.12 2.45 2.04 -1.59 -2.52 117.51 118.37 1y77 h ILE 658 Ca 0.45 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 66.23 1y77 h ILE 658 Cb 0.64 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1y77 h ILE 658 CO -0.37 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.02 1y77 h ALA 659 N -1.43 1.53 -0.00 1.87 0.00 -1.15 1.32 119.26 121.41 1y77 h ALA 659 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1y77 h ALA 659 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1y77 h ALA 659 CO 0.17 -0.30 -0.04 1.17 0.00 0.00 0.00 179.25 180.24 1y77 n LYS 660 N -3.34 0.83 -0.11 0.00 4.81 0.28 -2.76 118.16 117.87 1y77 n LYS 660 Ca 0.00 -0.19 -0.23 0.00 -0.87 0.00 0.00 58.31 57.02 1y77 n LYS 660 Cb 0.33 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.81 1y77 n LYS 660 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1y77 n LEU 661 N -0.91 1.65 0.00 3.14 4.77 0.44 -4.22 117.00 121.86 1y77 n LEU 661 Ca 0.18 0.28 0.01 0.00 -0.03 0.00 0.00 56.01 56.45 1y77 n LEU 661 Cb 0.23 -0.68 0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1y77 n LEU 661 CO 0.21 0.37 0.45 0.23 -1.33 0.00 0.00 177.39 177.32 1y77 n MET 662 N -4.07 0.01 0.05 3.23 2.81 -0.43 0.78 117.12 119.50 1y77 n MET 662 Ca -0.41 0.34 -0.11 0.00 -1.81 0.00 0.00 57.70 55.71 1y77 n MET 662 Cb 0.77 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.65 1y77 n MET 662 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y77 h ALA 663 N 2.05 0.38 0.00 3.04 0.00 -1.70 -2.74 119.26 120.29 1y77 h ALA 663 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 54.91 53.70 1y77 h ALA 663 Cb 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1y77 h ALA 663 CO 0.00 1.25 -0.93 1.15 0.00 0.00 0.00 179.25 180.73 1y77 h THR 664 N 0.03 0.79 -0.27 0.00 2.02 0.20 -3.31 112.91 112.37 1y77 h THR 664 Ca -0.14 -2.24 -0.02 0.00 0.77 0.00 0.00 66.41 64.78 1y77 h THR 664 Cb 1.90 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 70.61 1y77 h THR 664 CO 0.14 0.45 0.08 -0.33 0.37 0.00 0.00 175.52 176.23 1y77 h GLU 665 N 0.00 0.41 -0.46 6.66 5.08 -1.16 -2.86 114.58 122.25 1y77 h GLU 665 Ca -0.07 -0.09 0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1y77 h GLU 665 Cb 1.51 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1y77 h GLU 665 CO 0.06 0.48 0.33 -0.92 -1.00 0.00 0.00 179.01 177.96 1y77 h TYR 666 N 0.27 0.03 -0.25 4.33 3.20 -1.57 -3.10 116.97 119.88 1y77 h TYR 666 Ca 0.09 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.63 1y77 h TYR 666 Cb 0.24 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 1y77 h TYR 666 CO 0.00 0.01 0.33 1.04 -1.64 0.00 0.00 178.16 177.91 1y77 n GLN 667 N -4.41 2.36 0.00 1.82 6.02 -1.08 -5.13 117.38 116.96 1y77 n GLN 667 Ca 0.08 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1y77 n GLN 667 Cb 0.52 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1y77 n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1y77 n ASP 668 N 2.28 0.00 0.00 1.08 8.00 -1.17 -5.07 116.55 121.66 1y77 n ASP 668 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1y77 n ASP 668 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 1y77 n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1y77 n GLU 678 N -0.11 5.37 -3.59 -1.24 0.28 -1.26 -5.16 120.64 114.92 1y77 n GLU 678 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.60 1y77 n GLU 678 Cb 0.00 -0.44 -0.07 0.00 1.43 0.00 0.00 31.44 32.35 1y77 n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1y77 s TYR 679 N -0.87 3.52 0.00 -1.84 5.04 -1.26 -5.01 117.35 116.93 1y77 s TYR 679 Ca 0.00 -2.46 0.00 0.00 -2.44 0.00 0.00 57.07 52.17 1y77 s TYR 679 Cb 0.00 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.91 1y77 s TYR 679 CO 0.00 -0.89 0.00 0.25 -1.34 0.00 0.00 175.55 173.57 1y77 n THR 680 N 3.69 0.00 -0.06 4.34 -2.24 -1.26 -4.85 114.28 113.89 1y77 n THR 680 Ca 0.09 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1y77 n THR 680 Cb 0.41 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.88 1y77 n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1y77 h TRP 681 N 0.00 0.00 -1.45 4.78 2.91 -1.94 -3.32 115.95 116.92 1y77 h TRP 681 Ca 0.00 0.00 0.42 0.00 1.13 0.00 0.00 58.89 60.44 1y77 h TRP 681 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 28.59 1y77 h TRP 681 CO 0.00 0.17 1.15 0.43 -1.03 0.00 0.00 178.44 179.16 1y77 n SER 682 N -4.68 0.00 0.09 2.65 7.64 -1.26 0.14 113.62 118.20 1y77 n SER 682 Ca -0.06 0.78 -0.10 0.00 1.01 0.00 0.00 58.87 60.50 1y77 n SER 682 Cb 0.18 -0.36 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 1y77 n SER 682 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1y77 h SER 683 N 0.00 -0.25 0.00 6.43 4.64 -1.94 -0.80 113.55 121.63 1y77 h SER 683 Ca 0.69 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1y77 h SER 683 Cb 2.99 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 65.15 1y77 h SER 683 CO -0.01 0.26 0.42 -0.07 -0.87 0.00 0.00 176.83 176.56 1y77 h LEU 684 N -0.92 0.00 0.06 5.97 3.38 0.11 -0.36 115.31 123.54 1y77 h LEU 684 Ca -0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 1y77 h LEU 684 Cb 0.49 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1y77 h LEU 684 CO 0.05 0.00 -2.07 -0.11 0.09 0.00 0.00 178.44 176.40 1y77 n LEU 685 N -2.66 2.52 -0.33 1.67 7.94 -1.01 -2.33 117.00 122.80 1y77 n LEU 685 Ca -0.02 0.17 0.05 0.00 -1.11 0.00 0.00 56.01 55.10 1y77 n LEU 685 Cb 0.45 -1.00 0.18 0.00 0.53 0.00 0.00 43.42 43.58 1y77 n LEU 685 CO 0.10 0.75 0.64 0.59 -1.11 0.00 0.00 177.39 178.35 1y77 n ASN 686 N -3.67 0.97 -0.30 1.96 3.02 -0.31 -2.48 115.26 114.43 1y77 n ASN 686 Ca -0.38 -1.88 0.08 0.00 -0.03 0.00 0.00 54.58 52.36 1y77 n ASN 686 Cb 0.95 -0.11 0.16 0.00 -0.61 0.00 0.00 39.78 40.18 1y77 n ASN 686 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y77 n GLU 687 N -0.02 1.36 -3.39 3.52 1.02 -0.26 -4.63 120.64 118.24 1y77 n GLU 687 Ca 0.09 -2.83 -0.17 0.00 -0.02 0.00 0.00 57.16 54.22 1y77 n GLU 687 Cb 0.17 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1y77 n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y77 n GLY 688 N -1.26 -0.87 0.00 0.62 0.00 -0.65 -4.86 105.19 98.17 1y77 n GLY 688 Ca 0.17 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1y77 n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y77 n LEU 689 N -1.98 0.00 -3.83 0.99 4.77 -0.98 -4.99 117.00 110.98 1y77 n LEU 689 Ca -0.22 -0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 1y77 n LEU 689 Cb 0.46 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.44 1y77 n LEU 689 CO 0.43 0.00 -0.18 -0.69 -1.33 0.00 0.00 177.39 175.62 1y77 s VAL 690 N -0.94 0.02 0.14 4.08 1.01 -1.14 -1.90 120.40 121.67 1y77 s VAL 690 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1y77 s VAL 690 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1y77 s VAL 690 CO 0.00 -0.10 -0.14 -0.70 0.00 0.00 0.00 175.10 174.16 1y77 s GLU 691 N -0.31 1.08 -0.76 2.72 2.12 -0.54 -4.64 118.70 118.38 1y77 s GLU 691 Ca -0.04 -1.32 -0.18 0.00 0.36 0.00 0.00 54.97 53.79 1y77 s GLU 691 Cb -0.03 -0.93 0.14 0.00 0.26 0.00 0.00 34.13 33.58 1y77 s GLU 691 CO 0.01 0.17 0.86 0.71 -0.54 0.00 0.00 175.26 176.47 1y77 s TYR 692 N -2.39 3.22 -0.39 5.30 4.12 -1.26 -1.49 117.35 124.47 1y77 s TYR 692 Ca 0.12 -1.35 -0.17 0.00 0.02 0.00 0.00 57.07 55.69 1y77 s TYR 692 Cb -0.03 -4.06 0.01 0.00 -1.52 0.00 0.00 41.96 36.35 1y77 s TYR 692 CO 0.03 -1.29 0.44 0.42 0.02 0.00 0.00 175.55 175.17 1y77 s ILE 693 N 2.08 5.08 0.00 2.71 1.01 -0.78 -4.87 121.20 126.43 1y77 s ILE 693 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1y77 s ILE 693 Cb -0.14 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1y77 s ILE 693 CO -0.03 -0.30 0.00 -0.90 0.00 0.00 0.00 174.94 173.72 1y77 n ASP 694 N 5.60 -0.07 0.08 3.58 5.75 -1.26 -2.46 116.55 127.77 1y77 n ASP 694 Ca -0.07 -0.55 -0.21 0.00 -0.01 0.00 0.00 54.79 53.95 1y77 n ASP 694 Cb 0.48 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.45 1y77 n ASP 694 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y77 h ALA 695 N -2.00 0.05 0.01 2.12 0.00 -1.93 -2.80 119.26 114.73 1y77 h ALA 695 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.16 1y77 h ALA 695 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1y77 h ALA 695 CO 0.00 0.71 -0.08 1.49 0.00 0.00 0.00 179.25 181.37 1y77 h GLU 696 N 0.29 -0.14 -0.17 0.00 4.57 -1.92 -2.66 114.58 114.56 1y77 h GLU 696 Ca -0.17 0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 1y77 h GLU 696 Cb 1.85 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.46 1y77 h GLU 696 CO 0.23 -0.09 -0.45 1.49 -1.18 0.00 0.00 179.01 179.00 1y77 h GLU 697 N -0.15 0.41 -0.69 1.92 4.81 -1.92 -2.53 114.58 116.43 1y77 h GLU 697 Ca 0.03 -0.22 0.20 0.00 -0.13 0.00 0.00 59.36 59.24 1y77 h GLU 697 Cb 0.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1y77 h GLU 697 CO -0.07 0.78 0.60 1.49 -0.73 0.00 0.00 179.01 181.07 1y77 h GLU 698 N 0.33 0.00 -0.56 1.92 4.81 -1.19 0.14 114.58 120.03 1y77 h GLU 698 Ca 0.02 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1y77 h GLU 698 Cb 0.92 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.25 1y77 h GLU 698 CO 0.08 0.00 0.25 0.93 -0.73 0.00 0.00 179.01 179.54 1y77 h GLU 699 N 0.00 0.46 -2.11 1.92 4.39 -1.23 -3.17 114.58 114.84 1y77 h GLU 699 Ca 0.33 -0.03 -0.78 0.00 0.34 0.00 0.00 59.36 59.22 1y77 h GLU 699 Cb 1.51 -0.10 -0.27 0.00 -0.10 0.00 0.00 28.75 29.79 1y77 h GLU 699 CO -0.00 0.30 1.01 -1.13 -1.16 0.00 0.00 179.01 178.03 1y77 n SER 700 N -4.93 7.39 -3.83 1.42 3.41 0.49 -4.94 113.62 112.63 1y77 n SER 700 Ca 0.07 -3.77 -0.08 0.00 -0.26 0.00 0.00 58.87 54.82 1y77 n SER 700 Cb 0.20 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 1y77 n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1y77 s ILE 701 N -4.75 0.00 0.24 -1.33 -4.36 -1.20 -4.98 121.20 104.81 1y77 s ILE 701 Ca 0.46 -0.96 0.11 0.00 -0.26 0.00 0.00 60.65 60.00 1y77 s ILE 701 Cb 0.33 -1.90 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 1y77 s ILE 701 CO -0.29 -0.02 -0.21 -0.22 0.24 0.00 0.00 174.94 174.45 1y77 s LEU 702 N -2.92 2.52 0.01 0.37 2.96 -1.26 -5.01 118.68 115.35 1y77 s LEU 702 Ca 0.12 -0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 53.06 1y77 s LEU 702 Cb -0.04 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1y77 s LEU 702 CO 0.04 0.05 0.01 -0.63 -1.32 0.00 0.00 176.35 174.50 1y77 s ILE 703 N -2.20 0.07 -0.08 6.68 1.01 -1.26 -2.83 121.20 122.59 1y77 s ILE 703 Ca 0.25 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1y77 s ILE 703 Cb -0.06 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 1y77 s ILE 703 CO 0.12 -0.32 0.17 0.00 0.00 0.00 0.00 174.94 174.91 1y77 s ALA 704 N -0.95 3.89 -0.01 9.38 0.00 -0.08 -4.96 121.76 129.03 1y77 s ALA 704 Ca -0.10 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1y77 s ALA 704 Cb -0.06 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1y77 s ALA 704 CO -0.00 0.65 0.38 1.98 0.00 0.00 0.00 175.76 178.77 1y77 h MET 705 N 4.58 -0.10 -5.76 0.00 4.05 -1.91 -1.39 114.93 114.40 1y77 h MET 705 Ca -0.53 0.01 -0.67 0.00 -0.28 0.00 0.00 59.70 58.23 1y77 h MET 705 Cb 1.22 0.02 -0.14 0.00 -0.80 0.00 0.00 31.60 31.90 1y77 h MET 705 CO 0.62 -0.07 -0.59 -0.65 0.23 0.00 0.00 176.91 176.45 1y77 s GLN 706 N -1.99 3.26 0.37 0.39 -0.21 -1.26 -4.18 119.66 116.04 1y77 s GLN 706 Ca -0.02 -0.35 0.06 0.00 0.02 0.00 0.00 55.36 55.07 1y77 s GLN 706 Cb 0.00 -2.94 0.75 0.00 1.00 0.00 0.00 33.01 31.82 1y77 s GLN 706 CO 0.05 0.63 1.99 -1.00 -2.12 0.00 0.00 175.29 174.84 1y77 h PRO 707 N 5.44 0.71 0.00 2.91 0.13 -1.88 -3.23 132.00 136.08 1y77 h PRO 707 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1y77 h PRO 707 Cb 1.20 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1y77 h PRO 707 CO 0.58 0.47 0.00 -0.85 -0.23 0.00 0.00 178.00 177.97 1y77 n GLU 708 N -4.47 0.00 0.00 0.86 0.28 -1.26 -4.42 120.64 111.63 1y77 n GLU 708 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1y77 n GLU 708 Cb 0.15 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.02 1y77 n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1y77 n ASP 709 N 0.00 0.00 -2.39 -1.84 8.00 -1.26 -0.13 116.55 118.93 1y77 n ASP 709 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1y77 n ASP 709 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1y77 n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1y77 n LEU 710 N -0.85 6.88 0.13 0.64 4.77 -1.22 -4.55 117.00 122.80 1y77 n LEU 710 Ca 0.00 -4.06 0.00 0.00 -0.03 0.00 0.00 56.01 51.92 1y77 n LEU 710 Cb 0.00 -1.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1y77 n LEU 710 CO 0.00 1.56 0.00 -0.62 -1.33 0.00 0.00 177.39 177.00 1y77 n GLU 711 N 0.17 0.00 -0.07 3.23 -0.58 0.82 -4.96 120.64 119.25 1y77 n GLU 711 Ca 0.47 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 57.13 1y77 n GLU 711 Cb 0.52 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.47 1y77 n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1y77 n PRO 712 N -3.14 -2.63 -2.09 3.49 -0.04 -1.26 -4.98 135.00 124.34 1y77 n PRO 712 Ca 0.00 -0.40 -0.23 0.00 -0.04 0.00 0.00 63.50 62.83 1y77 n PRO 712 Cb 0.00 -0.54 0.14 0.00 -0.04 0.00 0.00 33.50 33.06 1y77 n PRO 712 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y77 n ALA 713 N -3.69 -0.42 -3.89 0.55 0.00 -1.26 -5.08 120.51 106.73 1y77 n ALA 713 Ca -0.05 -1.66 -0.30 0.00 0.00 0.00 0.00 53.44 51.43 1y77 n ALA 713 Cb 0.17 0.15 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 1y77 n ALA 713 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y77 s GLU 714 N -5.10 1.33 -0.19 0.00 2.12 -1.26 -5.18 118.70 110.42 1y77 s GLU 714 Ca 0.62 -1.01 -0.13 0.00 0.36 0.00 0.00 54.97 54.81 1y77 s GLU 714 Cb -0.03 -2.49 -0.08 0.00 0.26 0.00 0.00 34.13 31.79 1y77 s GLU 714 CO 0.42 -0.70 -0.29 0.00 -0.54 0.00 0.00 175.26 174.15 1y77 n ALA 715 N 4.71 1.42 0.00 6.30 0.00 -1.26 -5.32 120.51 126.36 1y77 n ALA 715 Ca -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1y77 n ALA 715 Cb 0.44 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1y77 n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1y77 n ASP 722 N -4.13 0.00 -4.40 0.00 8.00 -1.26 -5.38 116.55 109.38 1y77 n ASP 722 Ca -0.31 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.85 1y77 n ASP 722 Cb 0.66 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.62 1y77 n ASP 722 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1y77 s VAL 723 N 0.00 3.35 0.08 2.53 1.01 -1.26 -5.08 120.40 121.03 1y77 s VAL 723 Ca 0.00 -0.54 -0.36 0.00 0.00 0.00 0.00 61.98 61.07 1y77 s VAL 723 Cb 0.00 -2.45 -0.18 0.00 0.00 0.00 0.00 36.38 33.75 1y77 s VAL 723 CO 0.00 0.50 1.07 0.47 0.00 0.00 0.00 175.10 177.14 1y77 n ASP 724 N 3.72 0.42 -0.37 3.32 8.00 -1.26 -4.87 116.55 125.52 1y77 n ASP 724 Ca -0.18 1.14 0.05 0.00 0.71 0.00 0.00 54.79 56.52 1y77 n ASP 724 Cb 0.52 -1.03 0.19 0.00 -0.02 0.00 0.00 41.12 40.78 1y77 n ASP 724 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1y77 n PRO 725 N 1.69 1.47 -0.02 -0.24 -0.04 -1.26 -4.15 135.00 132.45 1y77 n PRO 725 Ca 0.18 -0.72 -0.04 0.00 -0.04 0.00 0.00 63.50 62.89 1y77 n PRO 725 Cb 0.16 -1.22 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1y77 n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y77 n ALA 726 N 0.04 2.03 -0.76 0.55 0.00 -1.26 -5.06 120.51 116.05 1y77 n ALA 726 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1y77 n ALA 726 Cb 0.19 0.40 0.08 0.00 0.00 0.00 0.00 19.45 20.12 1y77 n ALA 726 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1y77 n LYS 727 N -2.75 -1.68 -0.01 0.00 5.02 -1.26 -4.92 118.16 112.56 1y77 n LYS 727 Ca -0.09 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1y77 n LYS 727 Cb 0.59 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 1y77 n LYS 727 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1y77 n ARG 728 N -2.18 1.45 -3.59 1.97 1.85 -1.26 -5.07 116.66 109.83 1y77 n ARG 728 Ca 0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.60 1y77 n ARG 728 Cb 0.17 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.45 1y77 n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1y77 s ILE 729 N 0.46 0.68 0.10 8.89 1.01 -1.26 -5.05 121.20 126.05 1y77 s ILE 729 Ca 0.00 -1.96 -0.25 0.00 0.00 0.00 0.00 60.65 58.44 1y77 s ILE 729 Cb 0.00 -1.49 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 1y77 s ILE 729 CO 0.00 -0.91 0.78 -0.13 0.00 0.00 0.00 174.94 174.68 1y77 s ARG 730 N 0.90 4.53 0.00 2.79 0.52 -1.26 -5.07 118.95 121.36 1y77 s ARG 730 Ca 0.17 1.12 0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1y77 s ARG 730 Cb -0.23 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.93 1y77 s ARG 730 CO -0.04 0.42 0.00 0.28 0.02 0.00 0.00 175.30 175.98 1y77 n VAL 731 N 2.23 0.00 -4.26 3.52 0.31 -1.26 -5.06 118.33 113.82 1y77 n VAL 731 Ca -0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.15 1y77 n VAL 731 Cb 0.49 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.38 1y77 n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1y77 n SER 732 N 0.00 0.41 -2.26 4.52 7.64 -1.26 -5.06 113.62 117.61 1y77 n SER 732 Ca 0.00 -2.40 -0.30 0.00 1.01 0.00 0.00 58.87 57.18 1y77 n SER 732 Cb 0.00 0.85 0.04 0.00 -1.01 0.00 0.00 64.21 64.09 1y77 n SER 732 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y77 n HIS 733 N -0.51 3.02 -1.22 1.43 1.44 -1.26 -4.95 115.22 113.17 1y77 n HIS 733 Ca 0.00 -2.62 -0.42 0.00 -2.01 0.00 0.00 57.72 52.67 1y77 n HIS 733 Cb 0.39 -0.80 -0.06 0.00 0.12 0.00 0.00 29.99 29.64 1y77 n HIS 733 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1y77 n HIS 734 N -0.75 1.86 0.00 -1.40 8.25 -1.26 -4.74 115.22 117.18 1y77 n HIS 734 Ca 0.51 -1.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.29 1y77 n HIS 734 Cb 0.76 -1.76 0.00 0.00 1.12 0.00 0.00 29.99 30.11 1y77 n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y77 n ALA 735 N 8.42 0.00 -3.24 -1.41 0.00 -1.26 -5.06 120.51 117.96 1y77 n ALA 735 Ca 0.49 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 1y77 n ALA 735 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 1y77 n ALA 735 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1y77 n THR 736 N -0.19 2.01 0.00 0.00 -1.04 -1.26 -4.67 114.28 109.13 1y77 n THR 736 Ca 0.00 -5.13 0.00 0.00 -2.04 0.00 0.00 64.05 56.88 1y77 n THR 736 Cb 0.00 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 1y77 n THR 736 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1y77 n THR 737 N 0.58 0.00 -0.32 12.58 -1.04 -1.26 -5.06 114.28 119.75 1y77 n THR 737 Ca 0.29 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.19 1y77 n THR 737 Cb 0.44 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.92 1y77 n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1y77 n PHE 738 N -0.15 0.18 0.06 -1.42 0.99 -1.26 -4.82 117.46 111.04 1y77 n PHE 738 Ca 0.00 0.12 -0.21 0.00 -0.00 0.00 0.00 57.45 57.36 1y77 n PHE 738 Cb 0.00 -0.53 -0.13 0.00 -1.00 0.00 0.00 39.48 37.82 1y77 n PHE 738 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 1y77 h THR 739 N 1.73 1.36 -3.67 4.37 1.35 -1.94 -3.42 112.91 112.69 1y77 h THR 739 Ca -0.02 -2.37 -0.36 0.00 -0.55 0.00 0.00 66.41 63.11 1y77 h THR 739 Cb 0.31 2.75 -0.14 0.00 -1.73 0.00 0.00 68.15 69.33 1y77 h THR 739 CO 0.29 0.71 -0.62 -1.00 -0.25 0.00 0.00 175.52 174.65 1y77 s HIS 740 N -2.95 1.57 -0.08 4.73 3.76 -1.13 -0.19 115.29 121.00 1y77 s HIS 740 Ca -0.11 -1.15 -0.06 0.00 -0.15 0.00 0.00 55.06 53.59 1y77 s HIS 740 Cb 0.04 -0.93 0.03 0.00 1.11 0.00 0.00 32.58 32.83 1y77 s HIS 740 CO 0.89 -0.29 0.21 0.00 -0.85 0.00 0.00 174.74 174.70 1y77 s GLU 742 N 0.60 4.16 0.13 0.00 2.56 -0.52 -1.13 118.70 124.50 1y77 s GLU 742 Ca -0.04 2.51 -0.31 0.00 0.00 0.00 0.00 54.97 57.12 1y77 s GLU 742 Cb -0.06 -3.25 -0.08 0.00 2.00 0.00 0.00 34.13 32.74 1y77 s GLU 742 CO -0.03 -0.73 1.56 0.82 -0.56 0.00 0.00 175.26 176.33 1y77 h ILE 743 N 4.14 0.06 -2.34 -3.70 1.08 -1.87 -3.43 117.51 111.44 1y77 h ILE 743 Ca -0.43 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 63.96 1y77 h ILE 743 Cb 1.20 0.06 -0.21 0.00 -3.07 0.00 0.00 36.82 34.80 1y77 h ILE 743 CO 0.94 0.00 -0.00 -2.28 -0.69 0.00 0.00 178.15 176.12 1y77 s HIS 744 N -5.78 -0.57 0.10 1.37 2.46 -1.26 -4.78 115.29 106.84 1y77 s HIS 744 Ca -0.15 1.20 -0.15 0.00 0.47 0.00 0.00 55.06 56.43 1y77 s HIS 744 Cb 0.09 0.26 -0.06 0.00 -0.13 0.00 0.00 32.58 32.73 1y77 s HIS 744 CO 0.63 -0.42 1.48 -1.00 -2.47 0.00 0.00 174.74 172.96 1y77 h PRO 745 N 4.27 0.67 0.00 2.88 0.13 -1.84 -3.07 132.00 135.04 1y77 h PRO 745 Ca -0.28 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1y77 h PRO 745 Cb 1.16 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1y77 h PRO 745 CO 0.26 0.88 0.00 -1.13 -0.23 0.00 0.00 178.00 177.79 1y77 n SER 746 N -4.37 0.00 -1.10 1.44 3.41 -1.26 -1.15 113.62 110.59 1y77 n SER 746 Ca -0.03 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1y77 n SER 746 Cb 0.38 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.59 1y77 n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1y77 n MET 747 N -0.39 2.42 0.13 4.33 2.81 -1.16 -3.71 117.12 121.55 1y77 n MET 747 Ca 0.00 -2.16 0.02 0.00 -1.81 0.00 0.00 57.70 53.75 1y77 n MET 747 Cb 0.00 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.03 1y77 n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1y77 h ILE 748 N 3.98 0.89 -3.97 2.02 3.07 -1.41 -3.31 117.51 118.78 1y77 h ILE 748 Ca 0.00 -2.26 -0.47 0.00 1.55 0.00 0.00 64.86 63.68 1y77 h ILE 748 Cb 0.89 2.43 0.15 0.00 -0.27 0.00 0.00 36.82 40.03 1y77 h ILE 748 CO 0.00 0.51 0.22 -0.76 -1.05 0.00 0.00 178.15 177.07 1y77 s LEU 749 N -6.46 1.89 0.19 0.16 1.43 -1.24 -3.97 118.68 110.68 1y77 s LEU 749 Ca 0.04 1.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.53 1y77 s LEU 749 Cb 0.08 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 1y77 s LEU 749 CO 0.75 -2.90 -0.16 -0.83 0.23 0.00 0.00 176.35 173.43 1y77 s GLY 750 N -3.46 1.42 0.00 -3.19 0.00 -1.26 -1.32 107.32 99.51 1y77 s GLY 750 Ca 0.64 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1y77 s GLY 750 CO 0.57 -1.65 0.00 -0.62 0.00 0.00 0.00 173.10 171.40 1y77 n VAL 751 N -0.05 0.00 -0.09 1.40 0.31 -1.26 -0.70 118.33 117.94 1y77 n VAL 751 Ca -0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.16 1y77 n VAL 751 Cb 0.59 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.47 1y77 n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y77 h ALA 752 N 0.00 -0.48 -1.00 3.52 0.00 -1.96 -2.13 119.26 117.22 1y77 h ALA 752 Ca 0.00 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.16 1y77 h ALA 752 Cb 0.00 0.96 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 1y77 h ALA 752 CO 0.00 -0.62 0.65 0.00 0.00 0.00 0.00 179.25 179.28 1y77 h ALA 753 N -0.62 2.18 0.00 0.00 0.00 -1.28 -1.64 119.26 117.90 1y77 h ALA 753 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1y77 h ALA 753 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1y77 h ALA 753 CO -0.31 -0.55 0.00 0.43 0.00 0.00 0.00 179.25 178.82 1y77 n SER 754 N -4.60 0.00 -0.08 0.00 7.64 -0.80 -1.06 113.62 114.72 1y77 n SER 754 Ca 0.24 -0.01 -0.07 0.00 1.01 0.00 0.00 58.87 60.03 1y77 n SER 754 Cb 0.80 -0.10 -0.13 0.00 -1.01 0.00 0.00 64.21 63.77 1y77 n SER 754 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1y77 n ILE 755 N -1.10 1.07 -1.75 0.44 5.41 -0.61 -4.43 119.36 118.39 1y77 n ILE 755 Ca 0.03 -0.69 -0.42 0.00 1.00 0.00 0.00 62.75 62.66 1y77 n ILE 755 Cb 0.02 -0.50 -0.03 0.00 -0.71 0.00 0.00 39.64 38.42 1y77 n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1y77 s ILE 756 N -2.47 2.50 0.38 1.39 1.01 -0.22 -4.88 121.20 118.92 1y77 s ILE 756 Ca -0.08 0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.46 1y77 s ILE 756 Cb 0.05 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 1y77 s ILE 756 CO 0.70 0.00 0.90 -2.16 0.00 0.00 0.00 174.94 174.38 1y77 s PRO 757 N 2.41 4.24 -0.35 2.79 0.04 -1.26 -4.10 135.00 138.77 1y77 s PRO 757 Ca 0.79 1.05 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1y77 s PRO 757 Cb -0.46 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 31.77 1y77 s PRO 757 CO 0.35 0.07 0.11 1.19 0.04 0.00 0.00 177.00 178.76 1y77 n PHE 758 N -0.35 -1.84 -0.30 0.56 0.99 -0.38 -4.74 117.46 111.40 1y77 n PHE 758 Ca 0.05 0.12 0.33 0.00 -0.00 0.00 0.00 57.45 57.95 1y77 n PHE 758 Cb 0.53 -1.20 0.52 0.00 -1.00 0.00 0.00 39.48 38.34 1y77 n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1y77 h PRO 759 N -0.16 0.00 -1.74 -1.08 0.13 -1.84 0.45 132.00 127.76 1y77 h PRO 759 Ca -0.11 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.91 1y77 h PRO 759 Cb 1.07 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 1y77 h PRO 759 CO 0.17 0.00 0.14 -0.40 -0.23 0.00 0.00 178.00 177.68 1y77 n ASP 760 N -3.40 5.45 -0.46 1.44 5.75 -1.26 -3.02 116.55 121.05 1y77 n ASP 760 Ca 0.27 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1y77 n ASP 760 Cb 1.60 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1y77 n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1y77 n HIS 761 N 0.99 0.00 -4.26 2.11 8.25 0.16 -5.05 115.22 117.42 1y77 n HIS 761 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.36 1y77 n HIS 761 Cb 0.55 0.11 -0.12 0.00 1.12 0.00 0.00 29.99 31.64 1y77 n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1y77 s ASN 762 N -0.42 1.97 0.11 0.41 0.01 -1.17 -2.31 114.94 113.55 1y77 s ASN 762 Ca 0.00 -0.61 -0.34 0.00 -0.71 0.00 0.00 52.86 51.20 1y77 s ASN 762 Cb 0.00 -0.09 -0.14 0.00 0.41 0.00 0.00 41.25 41.43 1y77 s ASN 762 CO 0.00 -0.01 1.62 1.67 -1.51 0.00 0.00 177.10 178.88 1y77 n GLN 763 N 1.35 2.12 -0.24 -0.60 7.27 -1.13 -4.79 117.38 121.36 1y77 n GLN 763 Ca -0.20 0.77 0.09 0.00 0.07 0.00 0.00 57.00 57.72 1y77 n GLN 763 Cb 0.54 -2.54 0.17 0.00 2.41 0.00 0.00 30.24 30.82 1y77 n GLN 763 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1y77 n SER 764 N 3.97 -0.12 -0.12 1.69 2.88 -1.26 -0.92 113.62 119.74 1y77 n SER 764 Ca 0.18 1.16 -0.12 0.00 -1.33 0.00 0.00 58.87 58.76 1y77 n SER 764 Cb 0.28 -0.40 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 1y77 n SER 764 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1y77 h PRO 765 N 0.00 0.77 -0.21 -1.46 0.13 -1.99 -3.13 132.00 126.12 1y77 h PRO 765 Ca 0.39 -0.34 0.06 0.00 -0.87 0.00 0.00 66.00 65.24 1y77 h PRO 765 Cb 0.76 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1y77 h PRO 765 CO -0.65 0.96 0.85 0.00 -0.23 0.00 0.00 178.00 178.92 1y77 h ARG 766 N 0.57 0.00 0.20 0.86 2.47 -1.37 2.04 114.38 119.14 1y77 h ARG 766 Ca 0.08 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.47 1y77 h ARG 766 Cb 0.72 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.06 1y77 h ARG 766 CO 0.05 0.00 -1.58 -0.91 0.56 0.00 0.00 179.97 178.09 1y77 h ASN 767 N 0.00 0.65 -0.62 7.04 2.35 -1.65 -3.24 115.58 120.10 1y77 h ASN 767 Ca 0.10 -0.93 0.16 0.00 -0.55 0.00 0.00 56.30 55.08 1y77 h ASN 767 Cb 1.80 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.93 1y77 h ASN 767 CO -0.00 1.73 0.44 0.74 -1.65 0.00 0.00 177.43 178.68 1y77 h THR 768 N 0.04 0.75 0.17 2.81 2.02 0.32 -0.55 112.91 118.47 1y77 h THR 768 Ca -0.31 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1y77 h THR 768 Cb 2.05 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1y77 h THR 768 CO 0.19 0.03 -0.08 1.88 0.37 0.00 0.00 175.52 177.90 1y77 h TYR 769 N 0.14 -0.21 0.00 3.16 0.99 -1.61 -3.20 116.97 116.25 1y77 h TYR 769 Ca 0.30 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.03 1y77 h TYR 769 Cb 0.99 0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.79 1y77 h TYR 769 CO -0.00 0.01 0.36 0.94 -0.00 0.00 0.00 178.16 179.47 1y77 n GLN 770 N -4.92 0.07 -0.91 4.88 -0.06 -0.81 0.18 117.38 115.82 1y77 n GLN 770 Ca -0.04 0.51 -0.13 0.00 -2.00 0.00 0.00 57.00 55.33 1y77 n GLN 770 Cb 0.16 -2.08 0.18 0.00 -4.06 0.00 0.00 30.24 24.44 1y77 n GLN 770 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1y77 n SER 771 N -1.89 3.84 0.00 1.69 7.64 -0.28 -3.30 113.62 121.32 1y77 n SER 771 Ca -0.01 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1y77 n SER 771 Cb 0.38 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1y77 n SER 771 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y77 n ALA 772 N -0.51 0.00 -0.02 -0.43 0.00 0.49 -4.59 120.51 115.45 1y77 n ALA 772 Ca 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.70 1y77 n ALA 772 Cb 1.33 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.64 1y77 n ALA 772 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1y77 n MET 773 N 0.00 0.70 0.00 0.00 2.00 -1.01 -3.54 117.12 115.27 1y77 n MET 773 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.96 1y77 n MET 773 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.50 1y77 n MET 773 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1y77 n GLY 774 N 1.83 -0.25 0.51 3.03 0.00 -1.21 0.21 105.19 109.31 1y77 n GLY 774 Ca -0.27 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1y77 n GLY 774 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y77 n LYS 775 N -1.22 1.53 -0.16 1.61 5.02 -1.23 -4.09 118.16 119.62 1y77 n LYS 775 Ca 0.00 -1.07 0.05 0.00 -2.02 0.00 0.00 58.31 55.27 1y77 n LYS 775 Cb 0.04 -1.38 0.12 0.00 -0.02 0.00 0.00 35.03 33.80 1y77 n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1y77 n GLN 776 N 0.17 2.72 -2.50 1.97 6.02 0.57 -4.89 117.38 121.43 1y77 n GLN 776 Ca 0.09 -2.09 -0.24 0.00 -0.01 0.00 0.00 57.00 54.75 1y77 n GLN 776 Cb 0.43 -1.32 0.10 0.00 1.02 0.00 0.00 30.24 30.47 1y77 n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y77 s ALA 777 N -1.57 3.56 0.04 -1.58 0.00 -0.98 -0.05 121.76 121.18 1y77 s ALA 777 Ca 0.21 -1.57 0.08 0.00 0.00 0.00 0.00 51.96 50.68 1y77 s ALA 777 Cb 0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 1y77 s ALA 777 CO 0.08 -1.44 -0.22 -1.64 0.00 0.00 0.00 175.76 172.54 1y77 s MET 778 N -5.17 1.51 0.00 0.00 -1.94 -1.01 -4.61 119.30 108.09 1y77 s MET 778 Ca 0.65 -0.99 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1y77 s MET 778 Cb -0.06 -1.64 0.00 0.00 2.01 0.00 0.00 34.83 35.13 1y77 s MET 778 CO 0.44 0.42 0.00 0.41 -0.01 0.00 0.00 175.02 176.28 1y77 n GLY 779 N 1.83 1.39 2.74 -0.03 0.00 -1.25 -4.07 105.19 105.80 1y77 n GLY 779 Ca -0.17 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 1y77 n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y77 s VAL 780 N 2.03 -0.36 -0.62 1.61 1.01 -1.25 -1.29 120.40 121.53 1y77 s VAL 780 Ca 0.00 -0.40 0.26 0.00 0.00 0.00 0.00 61.98 61.83 1y77 s VAL 780 Cb 0.00 -0.90 0.29 0.00 0.00 0.00 0.00 36.38 35.77 1y77 s VAL 780 CO 0.00 -0.41 1.75 2.19 0.00 0.00 0.00 175.10 178.63 1y77 h PHE 781 N 8.29 0.00 -2.66 5.22 -5.15 -1.87 -3.33 116.94 117.44 1y77 h PHE 781 Ca -0.15 0.00 0.12 0.00 -0.20 0.00 0.00 57.97 57.74 1y77 h PHE 781 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.24 1y77 h PHE 781 CO 0.24 0.00 0.54 -0.51 -2.00 0.00 0.00 178.31 176.57 1y77 s LEU 782 N -4.80 0.02 0.00 2.10 1.43 -1.26 -4.45 118.68 111.73 1y77 s LEU 782 Ca 0.09 -0.80 0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1y77 s LEU 782 Cb 0.11 2.23 -0.05 0.00 0.03 0.00 0.00 46.19 48.50 1y77 s LEU 782 CO 0.57 -1.14 0.37 0.35 0.23 0.00 0.00 176.35 176.73 1y77 n THR 783 N -0.70 0.00 -0.28 5.49 -2.24 -1.26 -4.47 114.28 110.82 1y77 n THR 783 Ca -0.04 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1y77 n THR 783 Cb 0.59 1.03 0.23 0.00 -2.10 0.00 0.00 70.33 70.09 1y77 n THR 783 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1y77 n ASN 784 N -0.89 3.98 0.21 3.42 6.94 -1.26 -4.42 115.26 123.23 1y77 n ASN 784 Ca 0.02 -2.70 0.05 0.00 -0.02 0.00 0.00 54.58 51.93 1y77 n ASN 784 Cb 0.12 -0.64 0.44 0.00 -2.36 0.00 0.00 39.78 37.34 1y77 n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1y77 h TYR 785 N 2.20 0.00 0.00 -2.53 -0.00 -1.94 -0.30 116.97 114.39 1y77 h TYR 785 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.82 1y77 h TYR 785 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.36 1y77 h TYR 785 CO 0.79 0.31 0.00 -1.71 -0.00 0.00 0.00 178.16 177.54 1y77 n ASN 786 N -3.93 0.00 -0.63 0.10 5.15 -1.26 -1.71 115.26 112.98 1y77 n ASN 786 Ca -0.02 0.01 0.06 0.00 -0.60 0.00 0.00 54.58 54.03 1y77 n ASN 786 Cb 0.37 -0.18 0.11 0.00 -0.53 0.00 0.00 39.78 39.56 1y77 n ASN 786 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1y77 n VAL 787 N -1.18 1.22 -4.83 3.44 0.31 -0.13 -5.04 118.33 112.13 1y77 n VAL 787 Ca 0.05 -1.88 -0.32 0.00 -0.01 0.00 0.00 64.34 62.18 1y77 n VAL 787 Cb 0.05 0.17 -0.17 0.00 -0.91 0.00 0.00 33.84 32.98 1y77 n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1y77 s ARG 788 N -1.83 2.96 -0.82 5.55 0.52 -0.69 -5.02 118.95 119.62 1y77 s ARG 788 Ca 0.28 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 1y77 s ARG 788 Cb 0.28 -2.34 0.36 0.00 0.52 0.00 0.00 34.95 33.76 1y77 s ARG 788 CO -0.05 0.04 2.04 -1.33 0.02 0.00 0.00 175.30 176.03 1y77 n MET 789 N 3.90 2.74 -3.24 3.54 2.81 -1.26 -4.98 117.12 120.63 1y77 n MET 789 Ca -0.20 -3.47 -0.39 0.00 -1.81 0.00 0.00 57.70 51.84 1y77 n MET 789 Cb 0.52 -2.27 -0.06 0.00 -0.71 0.00 0.00 33.22 30.70 1y77 n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1y77 s ASP 790 N -1.13 7.01 -0.05 7.83 3.84 -1.26 -4.93 116.67 127.97 1y77 s ASP 790 Ca 0.54 1.20 -0.31 0.00 -0.00 0.00 0.00 52.55 53.97 1y77 s ASP 790 Cb 0.45 -2.36 -0.09 0.00 -1.38 0.00 0.00 42.92 39.54 1y77 s ASP 790 CO -0.37 0.17 2.02 0.35 -0.00 0.00 0.00 175.17 177.35 1y77 n THR 791 N 2.32 0.63 -1.31 2.11 -2.24 -1.26 -4.41 114.28 110.12 1y77 n THR 791 Ca -0.08 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1y77 n THR 791 Cb 0.51 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 1y77 n THR 791 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1y77 n MET 792 N 7.68 -3.65 -3.64 -0.78 0.00 -1.19 -4.90 117.12 110.64 1y77 n MET 792 Ca 0.23 2.64 -0.05 0.00 -0.00 0.00 0.00 57.70 60.52 1y77 n MET 792 Cb 0.39 -2.90 -0.07 0.00 0.00 0.00 0.00 33.22 30.64 1y77 n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1y77 s ALA 793 N -1.70 -2.14 -0.12 -5.12 0.00 -0.08 -4.95 121.76 107.65 1y77 s ALA 793 Ca 0.00 1.77 0.02 0.00 0.00 0.00 0.00 51.96 53.76 1y77 s ALA 793 Cb 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 1y77 s ALA 793 CO 0.00 -0.16 -0.20 -0.80 0.00 0.00 0.00 175.76 174.59 1y77 s ASN 794 N 0.15 3.33 -0.10 0.00 0.01 -1.26 -0.86 114.94 116.22 1y77 s ASN 794 Ca 0.05 -0.52 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 1y77 s ASN 794 Cb -0.05 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.14 1y77 s ASN 794 CO -0.12 0.13 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.74 1y77 s ILE 795 N 0.54 1.97 -0.61 0.60 1.09 -1.10 -3.96 121.20 119.72 1y77 s ILE 795 Ca -0.13 -0.97 -0.25 0.00 -1.10 0.00 0.00 60.65 58.21 1y77 s ILE 795 Cb -0.17 -1.71 0.04 0.00 -1.06 0.00 0.00 42.46 39.57 1y77 s ILE 795 CO 0.04 0.54 1.05 -0.22 -0.10 0.00 0.00 174.94 176.25 1y77 s LEU 796 N 0.38 3.88 0.00 2.97 2.96 -0.41 0.05 118.68 128.52 1y77 s LEU 796 Ca -0.18 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1y77 s LEU 796 Cb -0.18 -2.77 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 1y77 s LEU 796 CO 0.08 -1.42 0.02 -1.22 -1.32 0.00 0.00 176.35 172.50 1y77 n TYR 797 N 8.01 -0.00 -3.93 5.38 4.02 -0.99 -2.98 117.16 126.67 1y77 n TYR 797 Ca 0.02 0.01 -0.29 0.00 -0.01 0.00 0.00 57.90 57.63 1y77 n TYR 797 Cb 0.48 -0.24 -0.13 0.00 -0.02 0.00 0.00 39.34 39.42 1y77 n TYR 797 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1y77 s TYR 798 N -3.95 3.33 0.57 -0.72 4.12 -1.26 -5.10 117.35 114.34 1y77 s TYR 798 Ca -0.00 -3.23 -0.17 0.00 0.02 0.00 0.00 57.07 53.69 1y77 s TYR 798 Cb 0.00 -2.79 -0.04 0.00 -1.52 0.00 0.00 41.96 37.60 1y77 s TYR 798 CO 0.01 -0.67 1.06 -2.14 0.02 0.00 0.00 175.55 173.83 1y77 s PRO 799 N -0.71 3.37 -0.03 -1.71 0.02 -1.16 -4.89 135.00 129.89 1y77 s PRO 799 Ca 0.20 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.51 1y77 s PRO 799 Cb -0.18 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.33 1y77 s PRO 799 CO -0.06 -0.78 0.01 -0.65 -0.33 0.00 0.00 177.00 175.19 1y77 s GLN 800 N -3.83 0.22 0.03 5.54 -0.21 -1.11 -5.04 119.66 115.26 1y77 s GLN 800 Ca 0.65 0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.82 1y77 s GLN 800 Cb -0.17 -0.41 -0.06 0.00 1.00 0.00 0.00 33.01 33.37 1y77 s GLN 800 CO 0.33 -0.13 1.35 -1.59 -2.12 0.00 0.00 175.29 173.12 1y77 s LYS 801 N 0.98 4.32 0.37 2.91 -2.85 -1.26 -4.59 119.74 119.62 1y77 s LYS 801 Ca -0.09 1.93 -0.25 0.00 -1.00 0.00 0.00 55.97 56.56 1y77 s LYS 801 Cb -0.13 -3.45 -0.13 0.00 -2.06 0.00 0.00 37.83 32.06 1y77 s LYS 801 CO -0.02 -0.47 0.82 -0.35 0.10 0.00 0.00 175.35 175.43 1y77 n PRO 802 N 4.76 0.99 0.31 1.78 -0.04 -1.26 -4.93 135.00 136.61 1y77 n PRO 802 Ca 0.12 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1y77 n PRO 802 Cb 0.44 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 32.10 1y77 n PRO 802 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1y77 h LEU 803 N 1.36 -0.69 -9.52 1.53 3.38 -1.95 -3.41 115.31 106.01 1y77 h LEU 803 Ca -0.41 0.02 -0.53 0.00 0.09 0.00 0.00 57.88 57.06 1y77 h LEU 803 Cb 1.37 0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1y77 h LEU 803 CO 0.56 -0.40 0.54 -0.83 0.09 0.00 0.00 178.44 178.40 1y77 s GLY 804 N -2.14 2.50 0.20 0.83 0.00 -1.26 -3.45 107.32 104.00 1y77 s GLY 804 Ca -0.12 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.48 1y77 s GLY 804 CO 0.36 1.96 0.13 -1.30 0.00 0.00 0.00 173.10 174.26 1y77 n THR 805 N 3.62 0.00 -3.97 0.90 -2.24 -1.02 -4.90 114.28 106.67 1y77 n THR 805 Ca 0.08 -1.37 -0.17 0.00 -2.27 0.00 0.00 64.05 60.32 1y77 n THR 805 Cb 0.46 0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 1y77 n THR 805 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1y77 s THR 806 N -2.64 0.22 0.60 4.28 2.01 -1.26 0.63 115.64 119.47 1y77 s THR 806 Ca 0.19 0.04 0.28 0.00 0.31 0.00 0.00 61.69 62.51 1y77 s THR 806 Cb 0.01 -0.29 0.37 0.00 0.01 0.00 0.00 72.50 72.61 1y77 s THR 806 CO 0.13 0.14 1.83 0.03 -0.69 0.00 0.00 174.62 176.06 1y77 h ARG 807 N 7.07 0.00 0.00 4.92 2.47 -1.96 1.03 114.38 127.90 1y77 h ARG 807 Ca -0.40 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 1y77 h ARG 807 Cb 1.14 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1y77 h ARG 807 CO 0.48 0.00 -0.06 0.00 0.56 0.00 0.00 179.97 180.95 1y77 h ALA 808 N 1.34 1.07 -0.50 0.04 0.00 -1.95 -3.03 119.26 116.23 1y77 h ALA 808 Ca 0.23 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1y77 h ALA 808 Cb 1.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1y77 h ALA 808 CO -0.00 0.08 -0.14 0.52 0.00 0.00 0.00 179.25 179.71 1y77 h MET 809 N 0.00 0.95 -1.48 0.00 2.86 0.90 -3.18 114.93 114.98 1y77 h MET 809 Ca -0.00 -0.36 0.45 0.00 -2.06 0.00 0.00 59.70 57.73 1y77 h MET 809 Cb 0.41 -0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.92 1y77 h MET 809 CO 0.01 1.02 1.01 1.49 1.06 0.00 0.00 176.91 181.50 1y77 h GLU 810 N 0.84 0.06 0.00 1.72 4.81 -1.67 0.95 114.58 121.30 1y77 h GLU 810 Ca 0.13 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1y77 h GLU 810 Cb 0.69 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1y77 h GLU 810 CO 0.05 0.04 -1.12 0.66 -0.73 0.00 0.00 179.01 177.91 1y77 n TYR 811 N -4.36 0.19 0.57 0.92 4.02 -1.20 -3.66 117.16 113.64 1y77 n TYR 811 Ca 0.36 0.06 0.08 0.00 -0.01 0.00 0.00 57.90 58.39 1y77 n TYR 811 Cb 1.54 -0.37 0.22 0.00 -0.02 0.00 0.00 39.34 40.71 1y77 n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1y77 n LEU 812 N -1.92 2.47 -3.98 7.72 4.77 0.32 -4.91 117.00 121.47 1y77 n LEU 812 Ca 0.02 -1.21 -0.43 0.00 -0.03 0.00 0.00 56.01 54.36 1y77 n LEU 812 Cb 0.43 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1y77 n LEU 812 CO 0.41 0.61 -0.14 0.29 -1.33 0.00 0.00 177.39 177.22 1y77 n LYS 813 N 0.85 -0.50 -0.08 3.23 4.76 -0.60 -4.76 118.16 121.06 1y77 n LYS 813 Ca 0.16 0.17 -0.14 0.00 -2.87 0.00 0.00 58.31 55.63 1y77 n LYS 813 Cb 0.40 -2.94 -0.08 0.00 -1.84 0.00 0.00 35.03 30.57 1y77 n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1y77 h PHE 814 N -2.45 0.00 0.00 2.13 3.57 -1.83 -3.25 116.94 115.10 1y77 h PHE 814 Ca -0.70 0.00 0.00 0.00 3.53 0.00 0.00 57.97 60.80 1y77 h PHE 814 Cb 1.40 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.14 1y77 h PHE 814 CO 0.36 0.84 0.08 0.54 -2.23 0.00 0.00 178.31 177.91 1y77 n ARG 815 N -4.55 0.00 -0.10 1.11 1.74 -1.26 -0.69 116.66 112.91 1y77 n ARG 815 Ca -0.18 0.26 -0.16 0.00 -0.77 0.00 0.00 57.85 57.00 1y77 n ARG 815 Cb 0.46 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.18 1y77 n ARG 815 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1y77 n GLU 816 N -1.22 0.67 -3.29 5.56 4.71 -1.25 -4.74 120.64 121.08 1y77 n GLU 816 Ca 0.00 0.13 -0.25 0.00 -0.01 0.00 0.00 57.16 57.03 1y77 n GLU 816 Cb 0.08 -1.56 -0.08 0.00 -1.01 0.00 0.00 31.44 28.88 1y77 n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1y77 n LEU 817 N -3.14 0.60 0.00 -4.62 4.77 0.14 -5.09 117.00 109.65 1y77 n LEU 817 Ca -0.39 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 50.85 1y77 n LEU 817 Cb 1.04 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 42.54 1y77 n LEU 817 CO 0.34 2.01 0.00 -0.81 -1.33 0.00 0.00 177.39 177.60 1y77 n PRO 818 N 1.65 -1.37 -2.69 3.23 -0.04 -0.87 -4.69 135.00 130.22 1y77 n PRO 818 Ca 0.24 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.64 1y77 n PRO 818 Cb 0.50 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.07 1y77 n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y77 n ALA 819 N -3.00 1.81 0.00 0.55 0.00 -1.26 -3.84 120.51 114.77 1y77 n ALA 819 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.01 1y77 n ALA 819 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1y77 n ALA 819 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y77 n GLY 820 N -0.75 -0.98 3.01 0.00 0.00 -1.26 -4.46 105.19 100.75 1y77 n GLY 820 Ca -0.05 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1y77 n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y77 s GLN 821 N -0.96 0.25 -0.53 1.61 -0.21 -0.64 -2.75 119.66 116.42 1y77 s GLN 821 Ca 0.00 -0.11 -0.28 0.00 0.02 0.00 0.00 55.36 54.99 1y77 s GLN 821 Cb 0.00 0.10 0.03 0.00 1.00 0.00 0.00 33.01 34.15 1y77 s GLN 821 CO 0.00 -0.05 1.14 -0.80 -2.12 0.00 0.00 175.29 173.46 1y77 s ASN 822 N -0.56 6.51 -0.02 5.90 0.01 -1.26 -0.78 114.94 124.74 1y77 s ASN 822 Ca -0.06 0.20 0.03 0.00 -0.71 0.00 0.00 52.86 52.31 1y77 s ASN 822 Cb -0.04 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1y77 s ASN 822 CO 0.00 -1.35 -0.07 0.00 -1.51 0.00 0.00 177.10 174.17 1y77 s ALA 823 N 4.62 2.99 -0.92 0.60 0.00 -0.05 -4.86 121.76 124.13 1y77 s ALA 823 Ca 0.43 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 51.17 1y77 s ALA 823 Cb -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1y77 s ALA 823 CO 0.27 0.60 1.66 0.42 0.00 0.00 0.00 175.76 178.71 1y77 s ILE 824 N -0.93 3.68 0.70 0.00 -1.09 -1.26 -2.14 121.20 120.16 1y77 s ILE 824 Ca 0.15 -0.45 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 1y77 s ILE 824 Cb -0.11 -4.55 0.01 0.00 -1.58 0.00 0.00 42.46 36.23 1y77 s ILE 824 CO 0.05 -1.47 1.07 -0.69 -1.23 0.00 0.00 174.94 172.68 1y77 s VAL 825 N 7.35 3.76 -0.28 2.92 1.01 -1.12 -0.12 120.40 133.92 1y77 s VAL 825 Ca 0.56 0.62 0.01 0.00 0.00 0.00 0.00 61.98 63.17 1y77 s VAL 825 Cb -0.04 -3.25 0.15 0.00 0.00 0.00 0.00 36.38 33.24 1y77 s VAL 825 CO -0.02 -0.70 0.40 0.00 0.00 0.00 0.00 175.10 174.78 1y77 s ALA 826 N -2.88 -1.16 -0.83 5.51 0.00 -1.15 -2.54 121.76 118.71 1y77 s ALA 826 Ca 0.60 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 1y77 s ALA 826 Cb -0.16 -1.96 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1y77 s ALA 826 CO 0.52 -1.61 1.25 0.42 0.00 0.00 0.00 175.76 176.34 1y77 s ILE 827 N 2.54 4.02 0.31 0.00 1.01 -1.09 -2.54 121.20 125.46 1y77 s ILE 827 Ca 0.11 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 1y77 s ILE 827 Cb -0.13 -4.90 0.04 0.00 0.01 0.00 0.00 42.46 37.47 1y77 s ILE 827 CO -0.26 -1.77 0.76 0.00 0.00 0.00 0.00 174.94 173.67 1y77 s ALA 828 N 4.82 -1.07 -0.16 9.38 0.00 -0.89 -3.99 121.76 129.85 1y77 s ALA 828 Ca 0.36 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 1y77 s ALA 828 Cb -0.07 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1y77 s ALA 828 CO 0.03 -1.02 0.15 0.00 0.00 0.00 0.00 175.76 174.92 1y77 n TYR 830 N 2.82 0.00 -0.30 0.00 9.36 -1.26 -4.96 117.16 122.81 1y77 n TYR 830 Ca -0.17 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.17 1y77 n TYR 830 Cb 0.53 0.00 0.30 0.00 -0.63 0.00 0.00 39.34 39.54 1y77 n TYR 830 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1y77 h SER 831 N 0.00 0.30 0.00 2.98 4.64 -1.98 -3.44 113.55 116.04 1y77 h SER 831 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1y77 h SER 831 Cb 0.00 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1y77 h SER 831 CO 0.00 -0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1y77 n GLY 832 N -1.34 1.21 0.11 -0.77 0.00 -1.26 -5.01 105.19 98.13 1y77 n GLY 832 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1y77 n GLY 832 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1y77 h TYR 833 N 0.00 0.00 0.00 1.61 -1.99 -1.95 -3.27 116.97 111.37 1y77 h TYR 833 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1y77 h TYR 833 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1y77 h TYR 833 CO 0.00 0.38 0.00 0.27 -0.00 0.00 0.00 178.16 178.81 1y77 n ASN 834 N -2.87 0.00 -4.52 3.88 6.94 -1.26 -4.56 115.26 112.87 1y77 n ASN 834 Ca -0.05 -1.40 -0.29 0.00 -0.02 0.00 0.00 54.58 52.82 1y77 n ASN 834 Cb 0.73 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.39 1y77 n ASN 834 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 1y77 s GLN 835 N -2.00 -0.57 -0.37 -3.83 0.74 -1.24 -3.53 119.66 108.86 1y77 s GLN 835 Ca 0.22 1.05 -0.08 0.00 0.05 0.00 0.00 55.36 56.60 1y77 s GLN 835 Cb 0.10 -1.58 0.01 0.00 1.10 0.00 0.00 33.01 32.64 1y77 s GLN 835 CO 0.17 -3.55 0.14 0.39 -0.55 0.00 0.00 175.29 171.89 1y77 n GLU 836 N -4.82 -0.86 -2.28 1.67 -0.58 -1.26 -2.86 120.64 109.64 1y77 n GLU 836 Ca 0.05 -0.26 -0.06 0.00 -0.42 0.00 0.00 57.16 56.47 1y77 n GLU 836 Cb 0.53 -0.28 0.03 0.00 -0.57 0.00 0.00 31.44 31.16 1y77 n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1y77 n ASP 837 N -0.12 -3.60 -3.56 1.62 8.00 -1.26 -5.05 116.55 112.58 1y77 n ASP 837 Ca -0.05 -0.29 -0.14 0.00 0.71 0.00 0.00 54.79 55.02 1y77 n ASP 837 Cb 0.17 -2.44 -0.06 0.00 -0.02 0.00 0.00 41.12 38.77 1y77 n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1y77 s SER 838 N -3.23 -0.56 0.41 -2.24 1.04 -1.14 -3.48 113.70 104.51 1y77 s SER 838 Ca 0.16 0.74 0.08 0.00 0.48 0.00 0.00 55.95 57.40 1y77 s SER 838 Cb -0.02 0.63 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1y77 s SER 838 CO 0.30 -0.44 0.28 0.00 0.98 0.00 0.00 173.24 174.36 1y77 s MET 839 N -0.82 2.40 -0.25 4.02 0.23 0.64 -3.90 119.30 121.62 1y77 s MET 839 Ca -0.05 -1.66 -0.08 0.00 -1.03 0.00 0.00 55.69 52.86 1y77 s MET 839 Cb -0.01 -2.20 -0.03 0.00 -1.53 0.00 0.00 34.83 31.06 1y77 s MET 839 CO 0.05 -0.14 0.09 0.42 -2.03 0.00 0.00 175.02 173.41 1y77 s ILE 840 N -2.52 4.52 -0.16 3.16 1.01 -1.20 -1.26 121.20 124.74 1y77 s ILE 840 Ca 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.96 1y77 s ILE 840 Cb -0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1y77 s ILE 840 CO 0.25 0.33 -0.06 -0.32 0.00 0.00 0.00 174.94 175.14 1y77 s MET 841 N 1.53 3.52 0.01 2.79 1.75 -0.72 -1.30 119.30 126.89 1y77 s MET 841 Ca 0.06 -0.59 -0.35 0.00 -1.25 0.00 0.00 55.69 53.55 1y77 s MET 841 Cb -0.15 -2.86 -0.14 0.00 2.84 0.00 0.00 34.83 34.52 1y77 s MET 841 CO 0.05 0.12 1.63 -1.71 -0.65 0.00 0.00 175.02 174.47 1y77 n ASN 842 N 3.85 2.77 -0.04 1.11 5.15 -0.24 -2.66 115.26 125.20 1y77 n ASN 842 Ca -0.18 1.06 -0.13 0.00 -0.60 0.00 0.00 54.58 54.73 1y77 n ASN 842 Cb 0.52 -1.32 -0.11 0.00 -0.53 0.00 0.00 39.78 38.34 1y77 n ASN 842 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1y77 h GLN 843 N 6.72 -0.02 -0.01 1.20 5.75 0.41 -3.09 115.11 126.07 1y77 h GLN 843 Ca -0.47 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 1y77 h GLN 843 Cb 1.29 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.84 1y77 h GLN 843 CO 0.89 0.71 -0.01 0.43 -2.65 0.00 0.00 178.83 178.20 1y77 n SER 844 N -4.73 -0.02 -0.29 -0.69 7.64 -1.24 0.76 113.62 115.06 1y77 n SER 844 Ca -0.09 0.90 0.04 0.00 1.01 0.00 0.00 58.87 60.73 1y77 n SER 844 Cb 0.36 -0.44 0.13 0.00 -1.01 0.00 0.00 64.21 63.26 1y77 n SER 844 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1y77 h SER 845 N 0.00 -0.63 -1.02 6.43 4.64 -1.91 1.18 113.55 122.23 1y77 h SER 845 Ca 0.00 0.24 0.29 0.00 -0.47 0.00 0.00 61.79 61.85 1y77 h SER 845 Cb 0.01 0.47 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 1y77 h SER 845 CO -0.01 -0.26 0.73 0.40 -0.87 0.00 0.00 176.83 176.82 1y77 h ILE 846 N 0.02 0.49 0.00 0.95 2.04 0.44 0.26 117.51 121.72 1y77 h ILE 846 Ca 0.42 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.27 1y77 h ILE 846 Cb 0.69 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1y77 h ILE 846 CO -0.81 0.00 -0.00 0.44 0.00 0.00 0.00 178.15 177.78 1y77 h ASP 847 N 0.01 -0.00 0.00 1.72 3.32 0.37 -3.21 116.42 118.64 1y77 h ASP 847 Ca 0.49 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1y77 h ASP 847 Cb 1.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.48 1y77 h ASP 847 CO -0.01 0.94 0.00 0.54 -1.72 0.00 0.00 179.24 178.99 1y77 n ARG 848 N -4.64 0.04 0.00 3.56 1.74 -0.10 -4.62 116.66 112.64 1y77 n ARG 848 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1y77 n ARG 848 Cb 0.45 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1y77 n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y77 n GLY 849 N -0.50 1.04 3.76 -0.13 0.00 -1.03 -5.07 105.19 103.26 1y77 n GLY 849 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1y77 n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y77 s LEU 850 N 0.00 4.37 0.00 0.99 2.96 -0.15 -3.11 118.68 123.74 1y77 s LEU 850 Ca 0.00 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 1y77 s LEU 850 Cb 0.00 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1y77 s LEU 850 CO 0.00 -0.75 0.00 0.49 -1.32 0.00 0.00 176.35 174.77 1y77 n PHE 851 N 1.76 0.00 -1.76 5.38 0.99 -1.26 -4.63 117.46 117.94 1y77 n PHE 851 Ca 0.05 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.13 1y77 n PHE 851 Cb 0.40 -1.37 0.06 0.00 -1.00 0.00 0.00 39.48 37.57 1y77 n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1y77 s ARG 852 N -1.15 2.67 0.10 -1.08 0.52 -1.18 -4.61 118.95 114.22 1y77 s ARG 852 Ca 0.00 2.09 0.01 0.00 -0.52 0.00 0.00 55.73 57.30 1y77 s ARG 852 Cb 0.00 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1y77 s ARG 852 CO 0.00 -1.52 -0.03 -1.54 0.02 0.00 0.00 175.30 172.23 1y77 s SER 853 N -1.32 0.90 0.21 0.23 1.04 -0.77 -2.35 113.70 111.63 1y77 s SER 853 Ca 0.81 -1.06 0.05 0.00 0.48 0.00 0.00 55.95 56.23 1y77 s SER 853 Cb -0.38 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 1y77 s SER 853 CO 0.41 -0.55 0.29 -0.76 0.98 0.00 0.00 173.24 173.62 1y77 s LEU 854 N -3.04 4.20 -0.14 2.42 1.43 0.11 -1.18 118.68 122.48 1y77 s LEU 854 Ca 0.14 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 1y77 s LEU 854 Cb 0.06 -2.75 0.07 0.00 0.03 0.00 0.00 46.19 43.60 1y77 s LEU 854 CO -0.04 -0.02 0.22 0.12 0.23 0.00 0.00 176.35 176.86 1y77 s PHE 855 N -1.92 -0.31 -0.07 0.29 5.36 0.58 -2.73 117.98 119.18 1y77 s PHE 855 Ca 0.34 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 56.94 1y77 s PHE 855 Cb -0.09 -0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.35 1y77 s PHE 855 CO 0.28 -0.42 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.44 1y77 s PHE 856 N 2.35 2.78 0.09 10.12 0.40 -0.04 -0.44 117.98 133.25 1y77 s PHE 856 Ca 0.04 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1y77 s PHE 856 Cb -0.13 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 1y77 s PHE 856 CO -0.09 0.13 -0.07 0.50 0.70 0.00 0.00 175.22 176.39 1y77 s ARG 857 N -0.49 0.78 -0.20 0.44 3.52 -0.65 -0.91 118.95 121.44 1y77 s ARG 857 Ca 0.07 -1.23 -0.09 0.00 -0.13 0.00 0.00 55.73 54.35 1y77 s ARG 857 Cb -0.12 -0.22 0.08 0.00 -1.56 0.00 0.00 34.95 33.13 1y77 s ARG 857 CO 0.02 -0.01 0.46 -1.54 -0.81 0.00 0.00 175.30 173.42 1y77 s SER 858 N -2.77 -0.48 0.69 -2.12 1.04 -1.26 -0.11 113.70 108.69 1y77 s SER 858 Ca 0.08 1.04 -0.02 0.00 0.48 0.00 0.00 55.95 57.52 1y77 s SER 858 Cb 0.02 1.18 0.10 0.00 0.10 0.00 0.00 66.02 67.42 1y77 s SER 858 CO -0.04 -0.22 0.96 -0.31 0.98 0.00 0.00 173.24 174.62 1y77 s TYR 859 N 2.05 2.13 0.06 5.02 1.51 -0.64 -4.53 117.35 122.96 1y77 s TYR 859 Ca -0.06 -0.05 -0.19 0.00 -1.01 0.00 0.00 57.07 55.76 1y77 s TYR 859 Cb -0.10 -3.04 0.04 0.00 -0.11 0.00 0.00 41.96 38.75 1y77 s TYR 859 CO -0.14 -1.51 0.45 1.41 -1.11 0.00 0.00 175.55 174.65 1y77 s MET 860 N -5.11 0.98 -0.21 -0.62 1.75 -1.26 -2.41 119.30 112.42 1y77 s MET 860 Ca 0.63 -0.37 -0.28 0.00 -1.25 0.00 0.00 55.69 54.43 1y77 s MET 860 Cb -0.07 0.44 0.12 0.00 2.84 0.00 0.00 34.83 38.15 1y77 s MET 860 CO 0.43 -0.35 0.97 0.34 -0.65 0.00 0.00 175.02 175.76 1y77 s ASP 861 N -2.11 -0.45 0.53 1.11 -1.08 -0.97 -5.04 116.67 108.66 1y77 s ASP 861 Ca -0.04 0.70 0.01 0.00 -0.52 0.00 0.00 52.55 52.70 1y77 s ASP 861 Cb -0.00 0.65 0.01 0.00 -1.46 0.00 0.00 42.92 42.11 1y77 s ASP 861 CO -0.04 -0.27 0.08 -1.10 0.52 0.00 0.00 175.17 174.36 1y77 s GLN 862 N -0.43 2.23 -0.70 4.34 -0.21 -1.26 -1.95 119.66 121.68 1y77 s GLN 862 Ca -0.00 -2.38 -0.00 0.00 0.02 0.00 0.00 55.36 53.00 1y77 s GLN 862 Cb -0.03 -1.62 0.17 0.00 1.00 0.00 0.00 33.01 32.54 1y77 s GLN 862 CO -0.01 -0.45 0.52 -1.21 -2.12 0.00 0.00 175.29 172.01 1y77 s GLU 863 N -3.98 2.66 0.30 2.91 2.02 -1.15 -4.99 118.70 116.48 1y77 s GLU 863 Ca 0.07 -2.91 -0.27 0.00 0.02 0.00 0.00 54.97 51.89 1y77 s GLU 863 Cb -0.00 -3.68 -0.14 0.00 0.10 0.00 0.00 34.13 30.41 1y77 s GLU 863 CO 0.04 -1.21 0.82 1.63 0.02 0.00 0.00 175.26 176.56 1y77 n LYS 864 N 2.83 0.92 -4.53 1.61 5.02 -1.26 -4.73 118.16 118.01 1y77 n LYS 864 Ca 0.13 0.32 -0.25 0.00 -2.02 0.00 0.00 58.31 56.50 1y77 n LYS 864 Cb 0.36 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 1y77 n LYS 864 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1y77 s LYS 865 N -1.46 1.78 -0.15 1.97 2.36 -1.26 -3.64 119.74 119.35 1y77 s LYS 865 Ca 0.61 -1.95 -0.04 0.00 -2.55 0.00 0.00 55.97 52.04 1y77 s LYS 865 Cb -0.72 -1.50 0.07 0.00 -1.05 0.00 0.00 37.83 34.62 1y77 s LYS 865 CO 0.59 0.04 0.22 0.71 1.55 0.00 0.00 175.35 178.46 1y77 s TYR 866 N -2.78 -0.29 0.14 4.03 1.51 -1.23 -5.03 117.35 113.70 1y77 s TYR 866 Ca 0.33 0.57 0.06 0.00 -1.01 0.00 0.00 57.07 57.01 1y77 s TYR 866 Cb 0.05 -0.23 0.46 0.00 -0.11 0.00 0.00 41.96 42.13 1y77 s TYR 866 CO 0.16 -0.43 0.65 0.41 -1.11 0.00 0.00 175.55 175.23 1y77 n GLY 867 N 5.33 -0.41 0.91 0.71 0.00 -1.26 0.59 105.19 111.06 1y77 n GLY 867 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1y77 n GLY 867 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y77 n MET 868 N -4.13 0.92 -2.90 1.61 0.00 -1.26 -4.90 117.12 106.46 1y77 n MET 868 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.81 1y77 n MET 868 Cb 0.45 -1.11 -0.02 0.00 0.00 0.00 0.00 33.22 32.54 1y77 n MET 868 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1y77 n SER 869 N 0.45 -5.00 -3.62 6.12 7.64 0.20 -5.07 113.62 114.35 1y77 n SER 869 Ca 0.00 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.97 1y77 n SER 869 Cb 0.42 -2.88 -0.04 0.00 -1.01 0.00 0.00 64.21 60.70 1y77 n SER 869 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1y77 s ILE 870 N -0.24 -0.81 -0.00 0.44 1.01 -1.24 -5.01 121.20 115.34 1y77 s ILE 870 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.59 1y77 s ILE 870 Cb 0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1y77 s ILE 870 CO 0.28 0.00 -0.16 -0.89 0.00 0.00 0.00 174.94 174.18 1y77 s THR 871 N 2.68 1.26 0.83 2.92 2.01 -1.26 -3.54 115.64 120.54 1y77 s THR 871 Ca -0.06 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.09 1y77 s THR 871 Cb -0.10 -1.06 0.09 0.00 0.01 0.00 0.00 72.50 71.44 1y77 s THR 871 CO -0.19 0.32 1.12 -1.61 -0.69 0.00 0.00 174.62 173.56 1y77 s GLU 872 N -0.48 1.82 -0.09 4.92 2.02 -1.24 -4.49 118.70 121.16 1y77 s GLU 872 Ca 0.06 0.48 -0.17 0.00 0.02 0.00 0.00 54.97 55.36 1y77 s GLU 872 Cb -0.06 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 32.30 1y77 s GLU 872 CO -0.00 -1.77 0.42 0.99 0.02 0.00 0.00 175.26 174.92 1y77 s THR 873 N -3.24 0.02 -0.83 3.63 2.01 0.10 -4.88 115.64 112.45 1y77 s THR 873 Ca 0.62 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 62.24 1y77 s THR 873 Cb -0.14 -0.66 0.11 0.00 0.01 0.00 0.00 72.50 71.82 1y77 s THR 873 CO 0.53 -0.10 1.06 -0.36 -0.69 0.00 0.00 174.62 175.07 1y77 s PHE 874 N -0.53 2.97 0.17 4.92 2.99 -1.26 0.14 117.98 127.39 1y77 s PHE 874 Ca -0.06 -1.11 0.04 0.00 0.00 0.00 0.00 56.93 55.79 1y77 s PHE 874 Cb -0.03 -4.28 -0.01 0.00 0.00 0.00 0.00 43.02 38.69 1y77 s PHE 874 CO 0.03 -1.53 0.16 -0.85 -0.00 0.00 0.00 175.22 173.02 1y77 n GLU 875 N 6.92 0.23 -3.86 0.44 0.28 -1.11 -4.17 120.64 119.38 1y77 n GLU 875 Ca 0.14 -1.71 -0.31 0.00 -0.16 0.00 0.00 57.16 55.11 1y77 n GLU 875 Cb 0.48 1.43 -0.12 0.00 1.43 0.00 0.00 31.44 34.65 1y77 n GLU 875 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1y77 s LYS 876 N -2.68 2.37 0.75 3.44 2.20 -1.26 -4.14 119.74 120.41 1y77 s LYS 876 Ca 0.20 -2.87 -0.13 0.00 -0.36 0.00 0.00 55.97 52.81 1y77 s LYS 876 Cb 0.01 -3.50 0.18 0.00 -1.51 0.00 0.00 37.83 33.01 1y77 s LYS 876 CO 0.14 -1.19 0.80 -0.35 -0.36 0.00 0.00 175.35 174.40 1y77 n PRO 877 N 2.79 -1.74 0.00 4.03 -0.04 -1.26 -5.11 135.00 133.67 1y77 n PRO 877 Ca 0.11 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1y77 n PRO 877 Cb 0.34 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 1y77 n PRO 877 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y77 n GLN 878 N -3.35 0.00 0.00 0.54 -0.00 -1.26 -5.10 117.38 108.21 1y77 n GLN 878 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 1y77 n GLN 878 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.63 1y77 n GLN 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1y77 n ARG 879 N 0.00 0.00 -1.94 2.61 5.12 -1.26 -4.93 116.66 116.26 1y77 n ARG 879 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1y77 n ARG 879 Cb 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.31 1y77 n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1y77 n THR 880 N 0.00 -3.20 0.00 0.55 -1.04 -1.26 -4.67 114.28 104.66 1y77 n THR 880 Ca 0.00 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1y77 n THR 880 Cb 0.00 -4.05 0.00 0.00 -1.82 0.00 0.00 70.33 64.46 1y77 n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1y77 n ASN 881 N -1.73 0.00 -0.04 8.00 3.02 -1.26 -4.26 115.26 118.99 1y77 n ASN 881 Ca -0.01 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.39 1y77 n ASN 881 Cb 0.52 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 1y77 n ASN 881 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1y77 h THR 882 N 0.00 0.02 0.00 3.41 2.02 -1.83 -3.47 112.91 113.06 1y77 h THR 882 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1y77 h THR 882 Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1y77 h THR 882 CO 0.00 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.07 1y77 n LEU 883 N -5.42 0.00 -4.56 2.58 4.77 -1.26 -4.97 117.00 108.14 1y77 n LEU 883 Ca -0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 1y77 n LEU 883 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1y77 n LEU 883 CO 0.07 0.00 1.33 -0.13 -1.33 0.00 0.00 177.39 177.33 1y77 s ARG 884 N 0.00 1.65 0.00 3.23 1.81 -1.26 -4.78 118.95 119.60 1y77 s ARG 884 Ca 0.00 0.63 0.00 0.00 -1.72 0.00 0.00 55.73 54.64 1y77 s ARG 884 Cb 0.00 -4.75 0.00 0.00 -0.45 0.00 0.00 34.95 29.75 1y77 s ARG 884 CO 0.00 -4.32 0.00 -1.33 -0.68 0.00 0.00 175.30 168.97 1y77 n MET 885 N 8.85 1.94 -4.09 3.54 2.81 -1.26 -1.32 117.12 127.59 1y77 n MET 885 Ca 0.46 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 56.23 1y77 n MET 885 Cb 0.45 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.85 1y77 n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1y77 s LYS 886 N 4.92 0.60 0.22 0.03 -0.14 -1.26 -4.90 119.74 119.21 1y77 s LYS 886 Ca 0.00 -0.96 -0.07 0.00 -1.36 0.00 0.00 55.97 53.57 1y77 s LYS 886 Cb 0.00 -0.16 0.18 0.00 -1.68 0.00 0.00 37.83 36.17 1y77 s LYS 886 CO 0.00 -0.00 1.81 0.45 -0.76 0.00 0.00 175.35 176.85 1y77 h HIS 887 N 3.91 1.22 -1.63 3.18 3.86 -2.00 -3.46 115.15 120.23 1y77 h HIS 887 Ca -0.35 -0.06 -0.50 0.00 -1.16 0.00 0.00 60.37 58.30 1y77 h HIS 887 Cb 1.19 -0.38 0.25 0.00 1.06 0.00 0.00 27.41 29.52 1y77 h HIS 887 CO 0.62 0.89 -2.11 0.41 0.86 0.00 0.00 177.93 178.60 1y77 n GLY 888 N -1.00 -3.27 3.52 2.45 0.00 -1.26 -4.91 105.19 100.72 1y77 n GLY 888 Ca 0.08 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 1y77 n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y77 s THR 889 N -2.07 4.81 0.12 2.61 2.01 -1.26 -4.86 115.64 117.00 1y77 s THR 889 Ca 0.42 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.43 1y77 s THR 889 Cb -0.02 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1y77 s THR 889 CO 0.70 -0.61 1.52 1.88 -0.69 0.00 0.00 174.62 177.42 1y77 h TYR 890 N 8.88 0.87 0.00 4.92 -1.99 -1.93 -3.28 116.97 124.43 1y77 h TYR 890 Ca -0.25 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1y77 h TYR 890 Cb 1.09 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1y77 h TYR 890 CO 0.73 0.92 0.00 -0.25 -0.00 0.00 0.00 178.16 179.56 1y77 n ASP 891 N -4.32 0.00 0.26 3.88 8.00 -1.26 -0.30 116.55 122.80 1y77 n ASP 891 Ca -0.02 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.61 1y77 n ASP 891 Cb 0.38 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.19 1y77 n ASP 891 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1y77 h LYS 892 N 0.00 0.00 -6.78 -1.24 1.57 -1.92 -3.44 116.57 104.76 1y77 h LYS 892 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1y77 h LYS 892 Cb 0.00 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.37 1y77 h LYS 892 CO 0.00 0.12 0.71 -0.51 -0.57 0.00 0.00 179.45 179.20 1y77 s LEU 893 N -7.26 4.40 0.00 2.94 1.43 0.58 -4.70 118.68 116.08 1y77 s LEU 893 Ca -0.03 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1y77 s LEU 893 Cb 0.13 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1y77 s LEU 893 CO 0.59 -0.64 0.00 0.47 0.23 0.00 0.00 176.35 177.00 1y77 n ASP 894 N 1.90 0.00 0.01 2.29 9.92 -0.73 -4.91 116.55 125.03 1y77 n ASP 894 Ca 0.05 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.25 1y77 n ASP 894 Cb 0.41 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.78 1y77 n ASP 894 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1y77 h ASP 895 N 0.00 0.00 0.09 -2.24 5.19 -1.96 -3.28 116.42 114.21 1y77 h ASP 895 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1y77 h ASP 895 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1y77 h ASP 895 CO 0.00 0.86 0.00 -0.90 -3.12 0.00 0.00 179.24 176.08 1y77 n ASP 896 N -3.05 0.00 -0.03 6.45 5.68 -1.26 -4.30 116.55 120.03 1y77 n ASP 896 Ca -0.11 -0.45 -0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1y77 n ASP 896 Cb 0.96 -0.07 -0.00 0.00 -1.14 0.00 0.00 41.12 40.87 1y77 n ASP 896 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y77 n GLY 897 N 0.25 0.36 3.06 6.12 0.00 -1.24 -4.47 105.19 109.27 1y77 n GLY 897 Ca 0.13 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1y77 n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y77 s LEU 898 N -0.09 2.28 0.01 0.99 1.43 -1.26 -1.53 118.68 120.51 1y77 s LEU 898 Ca 0.00 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.30 1y77 s LEU 898 Cb 0.00 -0.10 -0.06 0.00 0.03 0.00 0.00 46.19 46.06 1y77 s LEU 898 CO 0.00 -0.25 0.61 -0.63 0.23 0.00 0.00 176.35 176.31 1y77 s ILE 899 N -1.65 4.87 0.30 -0.59 1.01 -1.25 -1.77 121.20 122.11 1y77 s ILE 899 Ca -0.09 1.28 -0.27 0.00 0.00 0.00 0.00 60.65 61.57 1y77 s ILE 899 Cb -0.08 -3.95 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1y77 s ILE 899 CO -0.01 0.43 0.94 0.00 0.00 0.00 0.00 174.94 176.31 1y77 s ALA 900 N -0.30 3.25 0.25 9.38 0.00 -1.26 -4.80 121.76 128.28 1y77 s ALA 900 Ca 0.31 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1y77 s ALA 900 Cb -0.19 -3.19 0.61 0.00 0.00 0.00 0.00 23.12 20.35 1y77 s ALA 900 CO 0.18 0.18 1.24 -2.30 0.00 0.00 0.00 175.76 175.07 1y77 n PRO 901 N 0.83 -0.06 -0.13 0.00 -0.02 -1.26 -2.40 135.00 131.96 1y77 n PRO 901 Ca 0.01 1.19 0.09 0.00 -2.02 0.00 0.00 63.50 62.76 1y77 n PRO 901 Cb 0.49 -1.89 0.42 0.00 -0.02 0.00 0.00 33.50 32.50 1y77 n PRO 901 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1y77 h GLY 902 N 0.00 0.78 -3.75 -1.23 0.00 -1.92 -3.29 103.07 93.66 1y77 h GLY 902 Ca 0.48 -0.24 -0.60 0.00 0.00 0.00 0.00 47.33 46.97 1y77 h GLY 902 CO -0.74 0.17 -0.81 -0.62 0.00 0.00 0.00 176.54 174.53 1y77 n VAL 903 N -4.48 0.97 -3.73 4.60 0.31 -1.01 -4.71 118.33 110.29 1y77 n VAL 903 Ca 0.10 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.56 1y77 n VAL 903 Cb 0.28 -0.27 -0.11 0.00 -0.91 0.00 0.00 33.84 32.83 1y77 n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1y77 s ARG 904 N -1.41 2.22 0.30 5.55 3.52 -1.26 -1.75 118.95 126.12 1y77 s ARG 904 Ca 0.62 -2.00 -0.04 0.00 -0.13 0.00 0.00 55.73 54.18 1y77 s ARG 904 Cb -0.51 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 1y77 s ARG 904 CO 0.61 -1.12 0.56 0.14 -0.81 0.00 0.00 175.30 174.68 1y77 s VAL 905 N 0.86 5.03 0.00 7.11 -7.23 -0.56 -4.97 120.40 120.64 1y77 s VAL 905 Ca 0.10 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1y77 s VAL 905 Cb -0.22 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1y77 s VAL 905 CO -0.04 -0.35 0.00 -1.54 -0.31 0.00 0.00 175.10 172.86 1y77 n SER 906 N -1.03 0.00 0.00 4.85 3.41 -1.26 -0.96 113.62 118.63 1y77 n SER 906 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1y77 n SER 906 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1y77 n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y77 n GLY 907 N 0.00 0.00 1.29 5.00 0.00 -1.26 -4.35 105.19 105.87 1y77 n GLY 907 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1y77 n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y77 n GLU 908 N 0.00 2.92 -1.08 1.61 1.02 -1.26 -4.43 120.64 119.43 1y77 n GLU 908 Ca 0.00 -3.00 -0.36 0.00 -0.02 0.00 0.00 57.16 53.78 1y77 n GLU 908 Cb 0.00 -1.95 0.06 0.00 -0.02 0.00 0.00 31.44 29.53 1y77 n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1y77 n ASP 909 N -0.54 -3.34 -4.83 1.62 9.92 -1.26 -4.24 116.55 113.87 1y77 n ASP 909 Ca 0.30 0.42 -0.34 0.00 -0.53 0.00 0.00 54.79 54.64 1y77 n ASP 909 Cb 1.08 -1.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.49 1y77 n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1y77 s VAL 910 N -2.05 4.59 0.00 2.53 1.01 -1.24 -1.74 120.40 123.50 1y77 s VAL 910 Ca 0.54 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1y77 s VAL 910 Cb -0.29 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1y77 s VAL 910 CO 0.69 -0.10 0.00 -0.38 0.00 0.00 0.00 175.10 175.31 1y77 n ILE 911 N -0.12 0.00 -3.60 2.22 5.41 -0.29 -4.78 119.36 118.19 1y77 n ILE 911 Ca 0.03 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.65 1y77 n ILE 911 Cb 0.53 -0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.33 1y77 n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1y77 s ILE 912 N -1.81 -0.46 -0.15 1.39 1.01 -1.18 -3.86 121.20 116.13 1y77 s ILE 912 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.63 1y77 s ILE 912 Cb 0.00 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1y77 s ILE 912 CO 0.00 0.04 0.53 -0.83 0.00 0.00 0.00 174.94 174.68 1y77 s GLY 913 N 2.45 2.25 -0.01 6.18 0.00 -0.58 -1.61 107.32 116.01 1y77 s GLY 913 Ca 0.03 -0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.43 1y77 s GLY 913 CO -0.10 0.98 0.14 1.25 0.00 0.00 0.00 173.10 175.37 1y77 s LYS 914 N 1.16 0.44 0.03 2.90 2.20 -1.25 -2.74 119.74 122.49 1y77 s LYS 914 Ca 0.27 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.59 1y77 s LYS 914 Cb -0.16 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 1y77 s LYS 914 CO 0.11 -0.10 -0.09 0.95 -0.36 0.00 0.00 175.35 175.86 1y77 s THR 915 N -1.19 0.66 -0.13 3.43 -4.23 0.37 -2.55 115.64 112.00 1y77 s THR 915 Ca -0.13 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 1y77 s THR 915 Cb -0.07 -0.66 0.02 0.00 1.34 0.00 0.00 72.50 73.13 1y77 s THR 915 CO 0.01 -0.20 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.86 1y77 s THR 916 N -1.02 1.53 -0.15 3.99 2.01 -0.96 0.01 115.64 121.05 1y77 s THR 916 Ca -0.05 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 1y77 s THR 916 Cb -0.08 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1y77 s THR 916 CO 0.01 0.45 0.88 -2.16 -0.69 0.00 0.00 174.62 173.11 1y77 s PRO 917 N 1.28 4.33 -0.03 4.92 0.04 -1.26 -3.46 135.00 140.83 1y77 s PRO 917 Ca 0.00 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.17 1y77 s PRO 917 Cb -0.14 -3.57 0.02 0.00 0.04 0.00 0.00 34.50 30.86 1y77 s PRO 917 CO -0.07 -0.33 -0.01 0.42 0.04 0.00 0.00 177.00 177.05 1y77 s ILE 918 N 2.12 0.24 -0.40 0.56 1.01 -1.26 -4.97 121.20 118.50 1y77 s ILE 918 Ca 0.41 0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1y77 s ILE 918 Cb -0.17 -0.30 0.12 0.00 0.01 0.00 0.00 42.46 42.12 1y77 s ILE 918 CO 0.14 0.14 0.19 -0.94 0.00 0.00 0.00 174.94 174.46 1y77 s SER 919 N 0.82 3.92 0.00 3.58 1.04 -1.26 -4.95 113.70 116.85 1y77 s SER 919 Ca -0.09 -2.37 0.00 0.00 0.48 0.00 0.00 55.95 53.98 1y77 s SER 919 Cb -0.12 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1y77 s SER 919 CO -0.01 -0.31 0.00 -1.54 0.98 0.00 0.00 173.24 172.36 1y77 n SER 933 N 3.90 3.09 -4.26 7.02 3.41 -1.26 -5.36 113.62 120.15 1y77 n SER 933 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 1y77 n SER 933 Cb 0.37 0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 64.88 1y77 n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1y77 s LYS 934 N -1.28 3.83 -0.13 4.33 1.02 -1.26 -4.19 119.74 122.07 1y77 s LYS 934 Ca 0.00 -3.16 -0.13 0.00 0.02 0.00 0.00 55.97 52.71 1y77 s LYS 934 Cb 0.00 -4.35 -0.05 0.00 -0.52 0.00 0.00 37.83 32.92 1y77 s LYS 934 CO 0.00 -1.25 0.28 1.03 -0.92 0.00 0.00 175.35 174.49 1y77 s ARG 935 N -1.14 4.05 0.46 1.68 0.52 -1.22 -4.23 118.95 119.08 1y77 s ARG 935 Ca 0.28 0.09 -0.12 0.00 -0.52 0.00 0.00 55.73 55.46 1y77 s ARG 935 Cb -0.09 -3.35 -0.07 0.00 0.52 0.00 0.00 34.95 31.96 1y77 s ARG 935 CO -0.09 0.42 0.86 0.34 0.02 0.00 0.00 175.30 176.85 1y77 s ASP 936 N -0.07 6.52 0.00 0.23 -1.08 -0.44 -2.28 116.67 119.55 1y77 s ASP 936 Ca 0.17 1.29 0.02 0.00 -0.52 0.00 0.00 52.55 53.51 1y77 s ASP 936 Cb -0.13 -2.39 0.04 0.00 -1.46 0.00 0.00 42.92 38.97 1y77 s ASP 936 CO 0.05 -0.51 0.84 0.00 0.52 0.00 0.00 175.17 176.07 1y77 n ALA 937 N -1.56 2.14 -0.99 3.66 0.00 -1.06 -4.86 120.51 117.84 1y77 n ALA 937 Ca 0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.44 1y77 n ALA 937 Cb 0.54 -0.33 0.15 0.00 0.00 0.00 0.00 19.45 19.81 1y77 n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y77 s SER 938 N -0.73 3.18 -0.24 0.00 0.01 -1.25 -4.58 113.70 110.10 1y77 s SER 938 Ca 0.03 1.74 -0.00 0.00 1.31 0.00 0.00 55.95 59.03 1y77 s SER 938 Cb 0.03 -2.37 0.03 0.00 0.21 0.00 0.00 66.02 63.93 1y77 s SER 938 CO -0.01 -2.86 -0.10 -0.89 0.41 0.00 0.00 173.24 169.79 1y77 s THR 939 N -2.79 2.58 0.05 1.44 2.01 -0.63 -4.97 115.64 113.33 1y77 s THR 939 Ca 0.64 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.47 1y77 s THR 939 Cb -0.20 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 1y77 s THR 939 CO 0.58 0.23 0.30 -2.16 -0.69 0.00 0.00 174.62 172.88 1y77 s PRO 940 N 1.28 3.59 0.25 4.92 0.04 -1.26 -1.14 135.00 142.67 1y77 s PRO 940 Ca -0.01 -0.11 -0.31 0.00 0.04 0.00 0.00 61.00 60.61 1y77 s PRO 940 Cb -0.16 -3.01 -0.13 0.00 0.04 0.00 0.00 34.50 31.24 1y77 s PRO 940 CO -0.06 0.59 1.55 -0.11 0.04 0.00 0.00 177.00 179.01 1y77 n LEU 941 N 0.73 3.75 -4.65 -3.56 7.94 -0.71 -4.79 117.00 115.71 1y77 n LEU 941 Ca -0.08 1.12 -0.57 0.00 -1.11 0.00 0.00 56.01 55.37 1y77 n LEU 941 Cb 0.52 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.88 1y77 n LEU 941 CO 0.45 -0.10 1.07 0.54 -1.11 0.00 0.00 177.39 178.23 1y77 n ARG 942 N 2.55 0.84 -0.06 1.96 1.74 -1.26 -4.44 116.66 117.99 1y77 n ARG 942 Ca 0.12 0.31 0.01 0.00 -0.77 0.00 0.00 57.85 57.51 1y77 n ARG 942 Cb 0.34 -1.93 0.02 0.00 -1.02 0.00 0.00 32.46 29.87 1y77 n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1y77 n SER 943 N 3.78 -0.07 0.04 0.55 3.41 -1.26 -1.77 113.62 118.29 1y77 n SER 943 Ca 0.24 0.29 -0.20 0.00 -0.26 0.00 0.00 58.87 58.95 1y77 n SER 943 Cb 0.12 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1y77 n SER 943 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1y77 h THR 944 N 0.00 1.53 -2.59 6.66 1.35 -1.86 -3.42 112.91 114.59 1y77 h THR 944 Ca 0.08 -2.52 -0.37 0.00 -0.55 0.00 0.00 66.41 63.04 1y77 h THR 944 Cb 0.12 3.21 0.20 0.00 -1.73 0.00 0.00 68.15 69.95 1y77 h THR 944 CO -0.17 0.71 -0.40 -0.62 -0.25 0.00 0.00 175.52 174.79 1y77 n GLU 945 N -4.16 -2.95 -3.64 4.72 1.02 -0.73 -4.95 120.64 109.95 1y77 n GLU 945 Ca -0.14 -0.86 -0.03 0.00 -0.02 0.00 0.00 57.16 56.11 1y77 n GLU 945 Cb 0.80 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1y77 n GLU 945 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y77 s ASN 946 N -2.34 -0.09 0.00 1.62 4.22 -1.26 -4.37 114.94 112.71 1y77 s ASN 946 Ca 0.58 0.14 0.00 0.00 -2.14 0.00 0.00 52.86 51.44 1y77 s ASN 946 Cb -0.14 0.13 0.00 0.00 1.28 0.00 0.00 41.25 42.52 1y77 s ASN 946 CO 0.56 -0.05 0.00 0.61 -2.04 0.00 0.00 177.10 176.18 1y77 n GLY 947 N 1.12 -0.80 3.05 0.45 0.00 -0.13 -4.85 105.19 104.03 1y77 n GLY 947 Ca -0.06 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1y77 n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y77 s ILE 948 N -3.44 0.97 1.23 -0.61 1.01 -1.03 -1.49 121.20 117.84 1y77 s ILE 948 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 1y77 s ILE 948 Cb 0.00 -0.84 0.29 0.00 0.01 0.00 0.00 42.46 41.91 1y77 s ILE 948 CO 0.00 0.29 0.81 0.52 0.00 0.00 0.00 174.94 176.56 1y77 n VAL 949 N 3.11 0.00 0.00 2.92 0.31 -0.72 0.08 118.33 124.03 1y77 n VAL 949 Ca -0.17 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1y77 n VAL 949 Cb 0.54 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 1y77 n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1y77 n ASP 950 N -4.55 0.00 0.00 4.52 2.03 0.19 -4.36 116.55 114.37 1y77 n ASP 950 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1y77 n ASP 950 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1y77 n ASP 950 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1y77 n GLN 951 N -0.18 0.00 -3.50 -0.67 7.27 -1.20 -4.93 117.38 114.17 1y77 n GLN 951 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 56.83 1y77 n GLN 951 Cb 0.00 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.68 1y77 n GLN 951 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1y77 n VAL 952 N 0.00 0.00 -3.30 1.69 0.31 -1.26 -1.73 118.33 114.04 1y77 n VAL 952 Ca 0.00 -2.08 0.03 0.00 -0.01 0.00 0.00 64.34 62.28 1y77 n VAL 952 Cb 0.00 -0.21 -0.04 0.00 -0.91 0.00 0.00 33.84 32.68 1y77 n VAL 952 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1y77 s LEU 953 N 0.00 -0.09 -0.25 7.52 2.34 -1.08 -4.96 118.68 122.15 1y77 s LEU 953 Ca 0.42 0.13 -0.10 0.00 0.06 0.00 0.00 54.13 54.64 1y77 s LEU 953 Cb -0.03 1.11 -0.05 0.00 -0.56 0.00 0.00 46.19 46.66 1y77 s LEU 953 CO 0.27 -0.02 0.15 -0.69 -1.06 0.00 0.00 176.35 175.00 1y77 s VAL 954 N 1.84 5.17 0.32 1.48 1.01 -1.26 -2.61 120.40 126.35 1y77 s VAL 954 Ca -0.02 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1y77 s VAL 954 Cb -0.01 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1y77 s VAL 954 CO -0.15 0.32 0.18 -0.89 0.00 0.00 0.00 175.10 174.55 1y77 s THR 955 N 1.35 0.29 0.08 3.92 2.01 0.25 -4.97 115.64 118.57 1y77 s THR 955 Ca 0.07 -2.00 0.06 0.00 0.31 0.00 0.00 61.69 60.13 1y77 s THR 955 Cb -0.15 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1y77 s THR 955 CO 0.07 0.00 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.00 1y77 s THR 956 N -3.55 3.36 -0.13 -0.82 2.01 -1.26 0.18 115.64 115.43 1y77 s THR 956 Ca 0.35 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1y77 s THR 956 Cb 0.04 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 70.03 1y77 s THR 956 CO 0.19 0.19 -0.18 0.21 -0.69 0.00 0.00 174.62 174.34 1y77 s ASN 957 N -1.98 2.78 0.00 3.53 2.47 -0.55 -4.83 114.94 116.36 1y77 s ASN 957 Ca 0.20 -0.52 0.00 0.00 0.42 0.00 0.00 52.86 52.96 1y77 s ASN 957 Cb -0.11 -1.26 0.00 0.00 -1.45 0.00 0.00 41.25 38.43 1y77 s ASN 957 CO 0.12 0.02 0.00 0.00 -3.72 0.00 0.00 177.10 173.52 1y77 n GLN 958 N 4.31 0.00 0.00 0.43 6.02 -1.26 0.16 117.38 127.04 1y77 n GLN 958 Ca -0.19 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.81 1y77 n GLN 958 Cb 0.51 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.84 1y77 n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1y77 n ASP 959 N 0.00 0.00 0.00 1.08 8.00 -1.26 -3.73 116.55 120.64 1y77 n ASP 959 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1y77 n ASP 959 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1y77 n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y77 n GLY 960 N -0.97 0.65 3.80 0.44 0.00 0.12 -4.99 105.19 104.25 1y77 n GLY 960 Ca 0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 1y77 n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y77 s LEU 961 N 0.00 4.47 -0.22 0.99 1.43 -1.14 -4.83 118.68 119.38 1y77 s LEU 961 Ca 0.00 1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 54.23 1y77 s LEU 961 Cb 0.00 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1y77 s LEU 961 CO 0.00 0.16 1.47 -0.54 0.23 0.00 0.00 176.35 177.67 1y77 s LYS 962 N -1.49 3.93 -0.13 1.70 1.02 -1.26 -1.48 119.74 122.02 1y77 s LYS 962 Ca 0.37 1.58 -0.03 0.00 0.02 0.00 0.00 55.97 57.90 1y77 s LYS 962 Cb -0.19 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.14 1y77 s LYS 962 CO 0.22 -1.12 -0.01 0.12 -0.92 0.00 0.00 175.35 173.63 1y77 s PHE 963 N 4.61 3.09 -0.06 3.18 5.36 0.48 -2.92 117.98 131.72 1y77 s PHE 963 Ca 0.65 -0.06 -0.03 0.00 -0.96 0.00 0.00 56.93 56.52 1y77 s PHE 963 Cb -0.23 -1.90 0.04 0.00 -0.34 0.00 0.00 43.02 40.59 1y77 s PHE 963 CO 0.25 0.18 0.14 0.08 -1.46 0.00 0.00 175.22 174.41 1y77 s VAL 964 N -0.11 -0.05 -0.13 3.12 1.01 -0.82 0.86 120.40 124.27 1y77 s VAL 964 Ca 0.04 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1y77 s VAL 964 Cb -0.13 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1y77 s VAL 964 CO 0.02 0.08 -0.22 -0.54 0.00 0.00 0.00 175.10 174.44 1y77 s LYS 965 N 1.19 2.95 0.11 2.72 1.02 -1.07 -2.29 119.74 124.38 1y77 s LYS 965 Ca -0.09 -0.84 0.06 0.00 0.02 0.00 0.00 55.97 55.13 1y77 s LYS 965 Cb -0.12 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1y77 s LYS 965 CO -0.06 0.03 -0.03 0.08 -0.92 0.00 0.00 175.35 174.46 1y77 s VAL 966 N 0.70 3.76 -0.04 3.17 1.01 -1.01 -2.65 120.40 125.34 1y77 s VAL 966 Ca -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 60.72 1y77 s VAL 966 Cb -0.16 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1y77 s VAL 966 CO 0.01 0.07 -0.03 -0.60 0.00 0.00 0.00 175.10 174.55 1y77 s ARG 967 N -2.42 0.65 -0.08 2.72 3.52 -0.71 -1.62 118.95 121.01 1y77 s ARG 967 Ca 0.25 -0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.81 1y77 s ARG 967 Cb -0.11 -0.73 -0.03 0.00 -1.56 0.00 0.00 34.95 32.53 1y77 s ARG 967 CO 0.17 -0.11 -0.08 0.08 -0.81 0.00 0.00 175.30 174.56 1y77 s VAL 968 N 0.98 3.62 -0.08 7.11 1.01 0.84 -0.64 120.40 133.25 1y77 s VAL 968 Ca -0.10 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1y77 s VAL 968 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1y77 s VAL 968 CO -0.01 0.58 -0.18 -0.60 0.00 0.00 0.00 175.10 174.90 1y77 s ARG 969 N -0.59 2.86 0.09 2.72 3.00 0.11 -1.64 118.95 125.51 1y77 s ARG 969 Ca 0.09 -0.77 0.05 0.00 -1.00 0.00 0.00 55.73 54.10 1y77 s ARG 969 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 34.95 32.40 1y77 s ARG 969 CO 0.02 0.38 -0.13 0.99 0.00 0.00 0.00 175.30 176.55 1y77 s THR 970 N -0.11 1.14 -0.26 4.11 2.01 0.42 -2.47 115.64 120.46 1y77 s THR 970 Ca -0.03 -1.49 -0.05 0.00 0.31 0.00 0.00 61.69 60.43 1y77 s THR 970 Cb -0.14 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.12 1y77 s THR 970 CO 0.04 -0.35 0.02 -0.89 -0.69 0.00 0.00 174.62 172.75 1y77 s THR 971 N -1.76 3.69 -0.24 -0.82 2.01 -1.26 -0.31 115.64 116.95 1y77 s THR 971 Ca 0.03 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.32 1y77 s THR 971 Cb -0.07 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1y77 s THR 971 CO 0.02 0.23 0.13 -0.54 -0.69 0.00 0.00 174.62 173.77 1y77 s LYS 972 N 1.48 3.95 0.03 4.92 1.02 -0.32 -4.97 119.74 125.85 1y77 s LYS 972 Ca 0.04 -0.33 -0.10 0.00 0.02 0.00 0.00 55.97 55.59 1y77 s LYS 972 Cb -0.16 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 1y77 s LYS 972 CO 0.00 0.01 0.36 0.42 -0.92 0.00 0.00 175.35 175.21 1y77 s ILE 973 N 1.16 5.15 0.22 2.17 1.01 -1.26 -1.85 121.20 127.80 1y77 s ILE 973 Ca 0.06 0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.87 1y77 s ILE 973 Cb -0.14 -3.63 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 1y77 s ILE 973 CO 0.05 0.40 1.65 -2.16 0.00 0.00 0.00 174.94 174.88 1y77 s PRO 974 N -1.61 4.15 0.00 2.79 0.04 -1.26 -4.96 135.00 134.14 1y77 s PRO 974 Ca 0.28 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1y77 s PRO 974 Cb -0.14 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1y77 s PRO 974 CO 0.15 -0.69 0.00 0.94 0.04 0.00 0.00 177.00 177.45 1y77 n GLN 975 N 3.49 2.69 0.08 4.56 7.27 -1.26 -5.06 117.38 129.16 1y77 n GLN 975 Ca 0.13 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.11 1y77 n GLN 975 Cb 0.36 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.96 1y77 n GLN 975 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1y77 h ILE 976 N 0.63 1.53 0.00 1.69 2.04 -1.93 -3.31 117.51 118.16 1y77 h ILE 976 Ca 0.00 -2.83 0.00 0.00 1.00 0.00 0.00 64.86 63.03 1y77 h ILE 976 Cb 0.00 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1y77 h ILE 976 CO 0.00 0.82 -0.31 1.23 0.00 0.00 0.00 178.15 179.89 1y77 h GLY 977 N 1.97 0.00 -4.24 5.37 0.00 -1.96 -3.30 103.07 100.91 1y77 h GLY 977 Ca -0.06 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.68 1y77 h GLY 977 CO 0.15 0.00 0.12 1.22 0.00 0.00 0.00 176.54 178.03 1y77 n ASP 978 N -2.76 1.23 -4.85 0.19 9.92 -1.25 -4.46 116.55 114.57 1y77 n ASP 978 Ca 0.03 1.13 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 1y77 n ASP 978 Cb 0.51 -1.30 -0.06 0.00 -0.64 0.00 0.00 41.12 39.63 1y77 n ASP 978 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1y77 s LYS 979 N -1.69 3.89 0.17 -1.24 2.20 -1.26 -1.96 119.74 119.85 1y77 s LYS 979 Ca 0.60 0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 56.52 1y77 s LYS 979 Cb -0.65 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 1y77 s LYS 979 CO 0.59 0.55 0.21 -0.06 -0.36 0.00 0.00 175.35 176.29 1y77 s PHE 980 N -1.36 0.68 -0.22 4.03 2.99 -0.27 -3.87 117.98 119.96 1y77 s PHE 980 Ca 0.33 -1.02 -0.28 0.00 0.00 0.00 0.00 56.93 55.96 1y77 s PHE 980 Cb -0.15 -0.25 0.14 0.00 0.00 0.00 0.00 43.02 42.76 1y77 s PHE 980 CO 0.18 -0.68 1.09 0.00 -0.00 0.00 0.00 175.22 175.81 1y77 s ALA 981 N -4.03 -1.99 0.84 5.36 0.00 -0.74 -1.24 121.76 119.95 1y77 s ALA 981 Ca 0.24 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.92 1y77 s ALA 981 Cb 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1y77 s ALA 981 CO 0.04 -0.26 0.00 -1.13 0.00 0.00 0.00 175.76 174.41 1y77 n SER 982 N 1.22 0.00 -2.42 0.00 3.41 -1.26 0.10 113.62 114.67 1y77 n SER 982 Ca -0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.23 1y77 n SER 982 Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1y77 n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y77 n ARG 983 N 0.00 3.36 -1.92 4.33 1.74 -1.26 -4.57 116.66 118.34 1y77 n ARG 983 Ca 0.00 -4.27 -0.02 0.00 -0.77 0.00 0.00 57.85 52.79 1y77 n ARG 983 Cb 0.00 -2.26 0.03 0.00 -1.02 0.00 0.00 32.46 29.21 1y77 n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1y77 n HIS 984 N -0.56 -0.38 -2.96 -1.55 8.25 -1.26 -4.63 115.22 112.13 1y77 n HIS 984 Ca 0.43 -1.15 -0.22 0.00 -0.26 0.00 0.00 57.72 56.52 1y77 n HIS 984 Cb 0.68 0.55 0.03 0.00 1.12 0.00 0.00 29.99 32.36 1y77 n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y77 n GLY 985 N -0.46 -0.52 1.28 -1.41 0.00 -1.25 -4.87 105.19 97.97 1y77 n GLY 985 Ca -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1y77 n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1y77 n GLN 986 N -3.86 2.63 -1.44 1.61 -0.06 -1.26 -4.97 117.38 110.03 1y77 n GLN 986 Ca -0.12 -1.54 -0.54 0.00 -2.00 0.00 0.00 57.00 52.80 1y77 n GLN 986 Cb 0.62 -1.81 -0.06 0.00 -4.06 0.00 0.00 30.24 24.93 1y77 n GLN 986 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1y77 n LYS 987 N 0.17 0.00 -3.55 3.69 2.85 -1.26 -4.56 118.16 115.50 1y77 n LYS 987 Ca 0.17 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.33 1y77 n LYS 987 Cb 0.80 -1.30 -0.04 0.00 -0.65 0.00 0.00 35.03 33.85 1y77 n LYS 987 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1y77 s GLY 988 N -0.36 -0.36 0.35 2.58 0.00 -0.38 -4.89 107.32 104.27 1y77 s GLY 988 Ca 0.80 1.59 0.09 0.00 0.00 0.00 0.00 44.72 47.20 1y77 s GLY 988 CO 0.56 0.74 0.02 -0.51 0.00 0.00 0.00 173.10 173.91 1y77 s THR 989 N -1.93 2.53 0.71 0.90 -4.23 -1.23 -1.12 115.64 111.27 1y77 s THR 989 Ca 0.01 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 1y77 s THR 989 Cb -0.01 -2.82 0.03 0.00 1.34 0.00 0.00 72.50 71.04 1y77 s THR 989 CO -0.02 -0.17 1.14 -0.63 -0.54 0.00 0.00 174.62 174.40 1y77 s ILE 990 N -2.54 2.87 0.00 2.99 1.01 -0.83 -0.26 121.20 124.44 1y77 s ILE 990 Ca 0.35 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1y77 s ILE 990 Cb 0.01 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1y77 s ILE 990 CO 0.19 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1y77 n GLY 991 N -0.23 0.00 3.58 6.18 0.00 -0.39 -4.58 105.19 109.75 1y77 n GLY 991 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1y77 n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1y77 s ILE 992 N -1.51 0.00 0.01 -0.61 2.07 -1.25 -5.01 121.20 114.90 1y77 s ILE 992 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 1y77 s ILE 992 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 1y77 s ILE 992 CO 0.00 0.00 -0.07 0.42 -1.91 0.00 0.00 174.94 173.38 1y77 s THR 993 N -1.44 3.62 0.29 4.00 -4.23 -1.26 -1.75 115.64 114.87 1y77 s THR 993 Ca 0.02 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.74 1y77 s THR 993 Cb -0.01 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.20 1y77 s THR 993 CO -0.02 0.37 0.10 -0.31 -0.54 0.00 0.00 174.62 174.22 1y77 s TYR 994 N -1.01 1.67 0.36 3.99 1.51 -1.09 -4.81 117.35 117.96 1y77 s TYR 994 Ca 0.17 -1.16 0.09 0.00 -1.01 0.00 0.00 57.07 55.16 1y77 s TYR 994 Cb -0.11 -1.00 -0.06 0.00 -0.11 0.00 0.00 41.96 40.67 1y77 s TYR 994 CO 0.08 -0.28 -0.04 1.03 -1.11 0.00 0.00 175.55 175.23 1y77 s ARG 995 N -3.95 1.92 0.56 -0.62 0.52 -1.26 0.29 118.95 116.42 1y77 s ARG 995 Ca 0.36 -1.91 0.34 0.00 -0.52 0.00 0.00 55.73 54.00 1y77 s ARG 995 Cb 0.07 -1.77 1.49 0.00 0.52 0.00 0.00 34.95 35.26 1y77 s ARG 995 CO 0.15 0.10 1.80 0.00 0.02 0.00 0.00 175.30 177.37 1y77 h ARG 996 N 1.91 0.00 0.16 3.54 3.08 -1.96 0.68 114.38 121.79 1y77 h ARG 996 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1y77 h ARG 996 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1y77 h ARG 996 CO 0.71 0.00 -0.08 0.93 -1.07 0.00 0.00 179.97 180.46 1y77 h GLU 997 N 0.00 -0.21 0.00 0.04 3.07 -1.95 -3.00 114.58 112.53 1y77 h GLU 997 Ca 0.47 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1y77 h GLU 997 Cb 2.02 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.98 1y77 h GLU 997 CO -0.00 -0.00 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.07 1y77 h ASP 998 N -0.38 0.00 -3.92 1.42 3.32 -1.07 -3.38 116.42 112.41 1y77 h ASP 998 Ca -0.02 -0.01 -0.51 0.00 0.02 0.00 0.00 57.03 56.51 1y77 h ASP 998 Cb 0.30 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.90 1y77 h ASP 998 CO 0.04 0.00 0.52 -0.32 -1.72 0.00 0.00 179.24 177.76 1y77 s MET 999 N -3.19 4.15 -0.03 3.56 1.75 0.21 -4.33 119.30 121.42 1y77 s MET 999 Ca 0.07 1.87 -0.30 0.00 -1.25 0.00 0.00 55.69 56.09 1y77 s MET 999 Cb 0.07 -2.77 -0.03 0.00 2.84 0.00 0.00 34.83 34.94 1y77 s MET 999 CO 0.66 -0.24 1.15 -1.25 -0.65 0.00 0.00 175.02 174.69 1y77 s PRO 1000N -2.15 4.40 0.28 4.11 0.04 -1.26 -3.72 135.00 136.69 1y77 s PRO 1000Ca 0.55 1.62 0.11 0.00 0.04 0.00 0.00 61.00 63.32 1y77 s PRO 1000Cb -0.32 -3.50 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 1y77 s PRO 1000CO 0.40 -0.35 -0.10 -0.59 0.04 0.00 0.00 177.00 176.41 1y77 s PHE 1001N 1.82 2.50 -0.21 0.56 -0.12 -1.02 -4.33 117.98 117.19 1y77 s PHE 1001Ca 0.55 -0.28 -0.05 0.00 -0.05 0.00 0.00 56.93 57.10 1y77 s PHE 1001Cb -0.24 -1.11 -0.02 0.00 -0.63 0.00 0.00 43.02 41.02 1y77 s PHE 1001CO 0.23 0.66 -0.01 -0.08 -0.05 0.00 0.00 175.22 175.97 1y77 s THR 1002N -2.42 3.75 0.00 -4.49 -1.32 -0.96 0.99 115.64 111.19 1y77 s THR 1002Ca 0.31 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1y77 s THR 1002Cb -0.05 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1y77 s THR 1002CO 0.18 0.42 0.00 0.00 -2.21 0.00 0.00 174.62 173.01 1y77 n ALA 1003N 4.48 0.00 -0.49 11.08 0.00 -1.26 0.22 120.51 134.54 1y77 n ALA 1003Ca -0.17 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.67 1y77 n ALA 1003Cb 0.51 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.65 1y77 n ALA 1003CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y77 h GLU 1004N 0.00 0.03 0.00 0.00 4.39 -1.95 -3.44 114.58 113.61 1y77 h GLU 1004Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y77 h GLU 1004Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1y77 h GLU 1004CO 0.00 0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.28 1y77 n GLY 1005N -1.56 3.69 2.31 -3.84 0.00 0.60 -5.11 105.19 101.29 1y77 n GLY 1005Ca 0.40 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1y77 n GLY 1005CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1y77 n ILE 1006N 0.00 0.00 -3.71 -0.61 -5.35 -1.24 -4.46 119.36 103.99 1y77 n ILE 1006Ca 0.00 -0.37 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1y77 n ILE 1006Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 37.83 1y77 n ILE 1006CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1y77 s VAL 1007N -1.48 0.07 0.76 7.28 0.11 -1.26 -2.26 120.40 123.62 1y77 s VAL 1007Ca 0.36 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.71 1y77 s VAL 1007Cb -0.25 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 1y77 s VAL 1007CO 0.55 -0.32 1.10 -2.16 -3.33 0.00 0.00 175.10 170.93 1y77 s PRO 1008N -2.56 2.37 -0.08 1.54 0.04 -1.26 -4.93 135.00 130.12 1y77 s PRO 1008Ca -0.05 0.58 0.13 0.00 0.04 0.00 0.00 61.00 61.70 1y77 s PRO 1008Cb -0.01 -1.96 -0.19 0.00 0.04 0.00 0.00 34.50 32.39 1y77 s PRO 1008CO -0.03 -1.41 0.17 -0.25 0.04 0.00 0.00 177.00 175.52 1y77 n ASP 1009N -3.28 1.74 -4.32 6.66 8.00 0.83 -4.54 116.55 121.65 1y77 n ASP 1009Ca 0.07 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.40 1y77 n ASP 1009Cb 0.57 1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 42.78 1y77 n ASP 1009CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1y77 s LEU 1010N -4.51 2.19 -0.49 0.64 2.96 -1.21 -1.08 118.68 117.18 1y77 s LEU 1010Ca -0.06 -1.21 0.06 0.00 -0.22 0.00 0.00 54.13 52.71 1y77 s LEU 1010Cb 0.06 -0.24 0.20 0.00 0.50 0.00 0.00 46.19 46.71 1y77 s LEU 1010CO 0.56 -0.51 0.69 -0.38 -1.32 0.00 0.00 176.35 175.39 1y77 n ILE 1011N -0.39 -0.25 -2.81 6.68 5.41 -0.42 -2.95 119.36 124.63 1y77 n ILE 1011Ca -0.05 -1.72 -0.39 0.00 1.00 0.00 0.00 62.75 61.58 1y77 n ILE 1011Cb 0.64 0.47 -0.06 0.00 -0.71 0.00 0.00 39.64 39.98 1y77 n ILE 1011CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1y77 s ILE 1012N 0.55 4.16 0.07 1.39 -4.36 -1.05 -3.23 121.20 118.74 1y77 s ILE 1012Ca 0.31 1.96 -0.31 0.00 -0.26 0.00 0.00 60.65 62.35 1y77 s ILE 1012Cb 0.07 -4.23 -0.07 0.00 1.25 0.00 0.00 42.46 39.48 1y77 s ILE 1012CO -0.12 0.44 1.46 0.21 0.24 0.00 0.00 174.94 177.17 1y77 s ASN 1013N -1.26 6.77 0.46 4.36 3.84 -1.25 -2.10 114.94 125.76 1y77 s ASN 1013Ca 0.42 2.31 0.31 0.00 0.21 0.00 0.00 52.86 56.11 1y77 s ASN 1013Cb -0.24 -2.57 1.42 0.00 -0.55 0.00 0.00 41.25 39.31 1y77 s ASN 1013CO 0.29 -0.74 1.67 1.55 -2.79 0.00 0.00 177.10 177.09 1y77 h PRO 1014N 7.46 0.12 -0.19 0.43 0.13 -1.84 -1.36 132.00 136.75 1y77 h PRO 1014Ca -0.41 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.77 1y77 h PRO 1014Cb 1.20 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1y77 h PRO 1014CO 0.90 0.08 0.14 0.45 -0.23 0.00 0.00 178.00 179.33 1y77 h HIS 1015N 0.12 0.00 0.00 1.56 3.86 -1.96 -2.95 115.15 115.79 1y77 h HIS 1015Ca 0.75 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.96 1y77 h HIS 1015Cb 2.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.94 1y77 h HIS 1015CO -0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1y77 n ALA 1016N -2.57 2.00 0.00 2.45 0.00 -0.51 -4.08 120.51 117.79 1y77 n ALA 1016Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 1y77 n ALA 1016Cb 0.27 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 1y77 n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1y77 n ILE 1017N 0.60 0.01 -0.13 0.00 2.08 -1.12 -4.68 119.36 116.12 1y77 n ILE 1017Ca 0.00 0.01 0.08 0.00 0.56 0.00 0.00 62.75 63.39 1y77 n ILE 1017Cb 0.24 -1.01 0.15 0.00 -0.75 0.00 0.00 39.64 38.27 1y77 n ILE 1017CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1y77 n PRO 1018N -2.50 -0.03 -0.01 0.38 -0.02 -1.26 -0.63 135.00 130.92 1y77 n PRO 1018Ca -0.00 0.58 0.06 0.00 -2.02 0.00 0.00 63.50 62.12 1y77 n PRO 1018Cb 0.00 -0.95 -0.14 0.00 -0.02 0.00 0.00 33.50 32.39 1y77 n PRO 1018CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1y77 n SER 1019N -4.26 0.15 -0.03 2.55 3.41 -1.26 -4.00 113.62 110.18 1y77 n SER 1019Ca 0.11 0.06 -0.09 0.00 -0.26 0.00 0.00 58.87 58.69 1y77 n SER 1019Cb 0.36 1.51 0.06 0.00 -0.26 0.00 0.00 64.21 65.88 1y77 n SER 1019CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1y77 h ARG 1020N 0.00 0.66 -6.11 4.33 2.47 -1.15 -3.47 114.38 111.12 1y77 h ARG 1020Ca -0.12 -0.35 -0.42 0.00 -1.26 0.00 0.00 59.98 57.83 1y77 h ARG 1020Cb 1.28 0.02 0.06 0.00 -1.65 0.00 0.00 29.97 29.67 1y77 h ARG 1020CO 0.01 0.96 -0.85 -1.33 0.56 0.00 0.00 179.97 179.32 1y77 n MET 1021N -4.02 -4.19 -3.63 0.04 2.81 -0.08 -4.53 117.12 103.51 1y77 n MET 1021Ca -0.02 0.59 -0.39 0.00 -1.81 0.00 0.00 57.70 56.07 1y77 n MET 1021Cb 0.54 -5.03 -0.09 0.00 -0.71 0.00 0.00 33.22 27.93 1y77 n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1y77 s THR 1022N -3.66 3.89 -0.04 2.03 -1.32 -1.26 -2.86 115.64 112.41 1y77 s THR 1022Ca 0.08 -1.93 0.13 0.00 -1.21 0.00 0.00 61.69 58.75 1y77 s THR 1022Cb -0.02 -3.59 -0.21 0.00 -1.51 0.00 0.00 72.50 67.16 1y77 s THR 1022CO 0.82 -0.75 0.75 0.58 -2.21 0.00 0.00 174.62 173.80 1y77 h VAL 1023N 6.17 0.88 -0.56 5.08 2.07 -1.83 -3.35 116.25 124.70 1y77 h VAL 1023Ca -0.17 -2.67 0.10 0.00 0.82 0.00 0.00 66.70 64.78 1y77 h VAL 1023Cb 1.06 2.41 -0.11 0.00 -1.52 0.00 0.00 31.29 33.12 1y77 h VAL 1023CO 0.80 0.50 -0.30 0.00 0.02 0.00 0.00 177.57 178.58 1y77 h ALA 1024N 1.06 0.01 -0.71 1.67 0.00 -1.81 0.80 119.26 120.27 1y77 h ALA 1024Ca -0.24 0.17 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1y77 h ALA 1024Cb 1.93 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 20.34 1y77 h ALA 1024CO 0.08 -0.64 0.22 1.25 0.00 0.00 0.00 179.25 180.15 1y77 h HIS 1025N -0.15 0.35 -0.63 0.00 6.17 -1.88 0.18 115.15 119.20 1y77 h HIS 1025Ca 0.23 0.04 0.03 0.00 0.71 0.00 0.00 60.37 61.39 1y77 h HIS 1025Cb 0.54 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.38 1y77 h HIS 1025CO -0.60 -0.02 0.38 -0.07 0.71 0.00 0.00 177.93 178.33 1y77 h LEU 1026N 0.33 0.61 -0.07 0.26 3.38 0.27 -3.07 115.31 117.02 1y77 h LEU 1026Ca 0.39 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 1y77 h LEU 1026Cb 0.63 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1y77 h LEU 1026CO -0.44 0.42 -0.05 0.40 0.09 0.00 0.00 178.44 178.86 1y77 h ILE 1027N 0.74 1.35 -1.02 1.22 2.04 0.19 -3.13 117.51 118.89 1y77 h ILE 1027Ca 0.26 -1.12 0.39 0.00 1.00 0.00 0.00 64.86 65.39 1y77 h ILE 1027Cb 0.05 1.96 -0.17 0.00 -0.74 0.00 0.00 36.82 37.92 1y77 h ILE 1027CO -0.12 0.31 0.57 -0.08 0.00 0.00 0.00 178.15 178.83 1y77 h GLU 1028N -0.26 0.09 0.24 2.37 4.81 -0.66 0.82 114.58 121.99 1y77 h GLU 1028Ca 0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1y77 h GLU 1028Cb 0.52 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1y77 h GLU 1028CO 0.01 0.06 -0.20 0.00 -0.73 0.00 0.00 179.01 178.15 1y77 h LEU 1030N -0.46 -0.42 -0.90 0.00 5.85 0.49 0.43 115.31 120.29 1y77 h LEU 1030Ca -0.01 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.86 1y77 h LEU 1030Cb 0.41 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.46 1y77 h LEU 1030CO -0.02 -0.30 0.52 0.25 -0.34 0.00 0.00 178.44 178.55 1y77 h LEU 1031N -0.50 0.69 -0.07 2.25 5.85 -0.80 -1.74 115.31 120.98 1y77 h LEU 1031Ca -0.05 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 1y77 h LEU 1031Cb 0.38 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1y77 h LEU 1031CO 0.08 0.32 -0.64 0.28 -0.34 0.00 0.00 178.44 178.14 1y77 h SER 1032N 0.76 0.69 -0.04 1.25 0.02 0.33 -1.61 113.55 114.95 1y77 h SER 1032Ca 0.48 -0.68 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1y77 h SER 1032Cb 0.61 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1y77 h SER 1032CO -0.32 1.27 0.08 0.50 -1.14 0.00 0.00 176.83 177.22 1y77 h LYS 1033N 0.17 0.00 0.00 3.45 3.64 0.38 0.66 116.57 124.87 1y77 h LYS 1033Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1y77 h LYS 1033Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1y77 h LYS 1033CO 0.13 0.00 0.00 0.28 -2.27 0.00 0.00 179.45 177.59 1y77 n VAL 1034N -3.47 0.00 0.00 2.00 0.31 -0.70 -3.87 118.33 112.60 1y77 n VAL 1034Ca -0.02 0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 1y77 n VAL 1034Cb 0.16 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1y77 n VAL 1034CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y77 n ALA 1035N -1.83 1.26 -0.05 3.52 0.00 -0.62 0.13 120.51 122.92 1y77 n ALA 1035Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1y77 n ALA 1035Cb 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 19.45 18.47 1y77 n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 n ALA 1036N -0.52 1.43 -0.04 0.00 0.00 0.21 -2.57 120.51 119.01 1y77 n ALA 1036Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 53.44 52.25 1y77 n ALA 1036Cb 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 1y77 n ALA 1036CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1y77 h LEU 1037N 0.01 0.20 -0.33 0.00 3.38 0.97 -3.37 115.31 116.17 1y77 h LEU 1037Ca -0.42 -0.74 -0.09 0.00 0.09 0.00 0.00 57.88 56.72 1y77 h LEU 1037Cb 2.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 1y77 h LEU 1037CO 0.05 1.54 -0.43 0.77 0.09 0.00 0.00 178.44 180.46 1y77 h SER 1038N -0.60 0.00 -1.00 -0.43 4.64 -1.60 -3.47 113.55 111.10 1y77 h SER 1038Ca -0.31 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.80 1y77 h SER 1038Cb 1.54 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.58 1y77 h SER 1038CO -0.05 0.43 -0.23 0.61 -0.87 0.00 0.00 176.83 176.72 1y77 n GLY 1039N 0.89 0.59 3.15 -0.77 0.00 -1.06 -4.96 105.19 103.04 1y77 n GLY 1039Ca 0.01 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 1y77 n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y77 s ASN 1040N -2.71 5.92 -0.10 1.61 0.01 -1.24 -4.99 114.94 113.44 1y77 s ASN 1040Ca 0.00 -3.23 -0.02 0.00 -0.71 0.00 0.00 52.86 48.90 1y77 s ASN 1040Cb 0.00 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 1y77 s ASN 1040CO 0.00 -0.32 0.23 1.21 -1.51 0.00 0.00 177.10 176.71 1y77 n GLU 1041N 3.04 0.00 -1.39 -0.60 2.13 -1.26 -4.70 120.64 117.85 1y77 n GLU 1041Ca 0.15 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.60 1y77 n GLU 1041Cb 0.39 -0.12 0.06 0.00 0.27 0.00 0.00 31.44 32.04 1y77 n GLU 1041CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y77 n GLY 1042N 0.57 -1.18 3.30 8.31 0.00 -1.22 -4.89 105.19 110.07 1y77 n GLY 1042Ca 0.06 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1y77 n GLY 1042CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y77 s ASP 1043N -1.37 4.19 -0.10 1.61 2.15 -1.26 -2.45 116.67 119.43 1y77 s ASP 1043Ca 0.69 -0.40 0.14 0.00 0.43 0.00 0.00 52.55 53.41 1y77 s ASP 1043Cb -0.39 -1.71 0.22 0.00 -0.30 0.00 0.00 42.92 40.75 1y77 s ASP 1043CO 0.54 -0.00 1.11 0.00 -0.17 0.00 0.00 175.17 176.65 1y77 n ALA 1044N 4.66 2.18 -1.40 3.66 0.00 0.21 -4.86 120.51 124.96 1y77 n ALA 1044Ca -0.18 -2.23 -0.37 0.00 0.00 0.00 0.00 53.44 50.66 1y77 n ALA 1044Cb 0.51 -0.32 0.05 0.00 0.00 0.00 0.00 19.45 19.68 1y77 n ALA 1044CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1y77 n SER 1045N -1.17 -1.09 0.00 0.00 7.64 -0.83 -1.24 113.62 116.92 1y77 n SER 1045Ca 0.12 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.68 1y77 n SER 1045Cb 0.58 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1y77 n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1y77 n PRO 1046N -0.29 0.40 -2.33 1.43 -0.02 -1.26 -4.38 135.00 128.55 1y77 n PRO 1046Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 1y77 n PRO 1046Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.94 1y77 n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1y77 s PHE 1047N 0.00 2.58 0.00 6.00 0.40 -1.26 -4.83 117.98 120.87 1y77 s PHE 1047Ca 0.00 0.80 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 1y77 s PHE 1047Cb 0.00 -3.74 0.00 0.00 0.51 0.00 0.00 43.02 39.79 1y77 s PHE 1047CO 0.00 -2.14 0.00 0.25 0.70 0.00 0.00 175.22 174.03 1y77 n THR 1048N 5.80 0.00 -1.15 0.64 -2.24 -1.26 -4.93 114.28 111.14 1y77 n THR 1048Ca 0.15 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1y77 n THR 1048Cb 0.45 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.92 1y77 n THR 1048CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1y77 n ASP 1049N -1.30 4.27 -4.93 3.42 8.00 -1.26 -4.99 116.55 119.77 1y77 n ASP 1049Ca 0.00 -3.43 -0.27 0.00 0.71 0.00 0.00 54.79 51.81 1y77 n ASP 1049Cb 0.00 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.28 1y77 n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y77 s ILE 1050N -3.15 5.14 0.23 0.53 1.01 -1.26 -5.05 121.20 118.64 1y77 s ILE 1050Ca 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1y77 s ILE 1050Cb 0.46 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1y77 s ILE 1050CO 0.12 -0.30 0.11 -0.89 0.00 0.00 0.00 174.94 173.98 1y77 s THR 1051N -2.02 0.32 -0.10 2.92 2.01 -1.26 -4.94 115.64 112.57 1y77 s THR 1051Ca 0.40 -2.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.18 1y77 s THR 1051Cb -0.11 -2.57 -0.28 0.00 0.01 0.00 0.00 72.50 69.56 1y77 s THR 1051CO 0.31 -0.01 0.72 0.58 -0.69 0.00 0.00 174.62 175.53 1y77 h VAL 1052N 2.49 1.42 -0.83 3.82 2.07 -1.99 -3.07 116.25 120.16 1y77 h VAL 1052Ca -0.37 -2.43 0.04 0.00 0.82 0.00 0.00 66.70 64.76 1y77 h VAL 1052Cb 1.25 3.05 -0.05 0.00 -1.52 0.00 0.00 31.29 34.01 1y77 h VAL 1052CO 0.58 0.65 0.53 -0.33 0.02 0.00 0.00 177.57 179.01 1y77 h GLU 1053N -0.57 0.97 0.00 1.57 4.39 -1.96 0.74 114.58 119.73 1y77 h GLU 1053Ca -0.16 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1y77 h GLU 1053Cb 1.48 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1y77 h GLU 1053CO 0.06 0.64 -0.00 0.78 -1.16 0.00 0.00 179.01 179.34 1y77 h GLY 1054N 1.00 0.00 0.00 -3.84 0.00 -1.95 -2.95 103.07 95.33 1y77 h GLY 1054Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.27 1y77 h GLY 1054CO -0.14 0.00 -2.46 1.39 0.00 0.00 0.00 176.54 175.34 1y77 n ILE 1055N -3.09 1.46 -0.20 2.60 5.41 -0.21 -4.08 119.36 121.25 1y77 n ILE 1055Ca -0.03 -0.50 0.30 0.00 1.00 0.00 0.00 62.75 63.52 1y77 n ILE 1055Cb 0.08 -1.53 0.73 0.00 -0.71 0.00 0.00 39.64 38.21 1y77 n ILE 1055CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1y77 h SER 1056N -0.27 0.00 -0.26 4.38 0.02 -0.82 0.93 113.55 117.53 1y77 h SER 1056Ca -0.60 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.28 1y77 h SER 1056Cb 1.80 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 1y77 h SER 1056CO -0.18 0.00 -0.11 0.11 -1.14 0.00 0.00 176.83 175.51 1y77 h LYS 1057N 0.00 0.54 -0.39 3.45 1.57 -1.70 -0.92 116.57 119.12 1y77 h LYS 1057Ca 0.46 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1y77 h LYS 1057Cb 1.94 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 1y77 h LYS 1057CO -0.00 0.78 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.40 1y77 h LEU 1058N 0.27 0.76 -0.62 2.94 3.38 0.62 -1.20 115.31 121.46 1y77 h LEU 1058Ca 0.06 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 1y77 h LEU 1058Cb 0.62 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1y77 h LEU 1058CO 0.04 0.94 -0.68 0.25 0.09 0.00 0.00 178.44 179.08 1y77 h LEU 1059N 0.67 0.05 -0.56 1.67 5.85 -0.79 -2.92 115.31 119.27 1y77 h LEU 1059Ca 0.10 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 1y77 h LEU 1059Cb 0.68 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1y77 h LEU 1059CO 0.05 0.72 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.43 1y77 h ARG 1060N 0.03 0.78 0.00 1.25 9.65 -0.84 -1.69 114.38 123.57 1y77 h ARG 1060Ca -0.01 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1y77 h ARG 1060Cb 1.21 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1y77 h ARG 1060CO 0.09 1.00 0.07 0.39 2.80 0.00 0.00 179.97 184.32 1y77 n GLU 1061N -4.06 0.06 0.00 0.20 1.02 -0.48 -1.28 120.64 116.09 1y77 n GLU 1061Ca -0.01 0.53 0.08 0.00 -0.02 0.00 0.00 57.16 57.74 1y77 n GLU 1061Cb 0.50 -1.77 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 1y77 n GLU 1061CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1y77 n HIS 1062N -1.81 0.00 0.00 -0.32 8.25 -0.64 -5.02 115.22 115.67 1y77 n HIS 1062Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1y77 n HIS 1062Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1y77 n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y77 n GLY 1063N 1.33 2.60 3.83 -1.41 0.00 -0.41 -5.08 105.19 106.06 1y77 n GLY 1063Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1y77 n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y77 s TYR 1064N -2.49 3.68 0.14 1.61 1.51 -1.24 -5.00 117.35 115.56 1y77 s TYR 1064Ca 0.00 1.12 -0.24 0.00 -1.01 0.00 0.00 57.07 56.94 1y77 s TYR 1064Cb 0.00 -2.40 -0.14 0.00 -0.11 0.00 0.00 41.96 39.31 1y77 s TYR 1064CO 0.00 0.50 0.48 0.94 -1.11 0.00 0.00 175.55 176.37 1y77 n GLN 1065N 1.19 0.00 0.11 -0.62 -0.06 -1.26 -4.07 117.38 112.67 1y77 n GLN 1065Ca -0.08 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.02 1y77 n GLN 1065Cb 0.52 -0.87 0.43 0.00 -4.06 0.00 0.00 30.24 26.26 1y77 n GLN 1065CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1y77 n SER 1066N 1.57 0.45 -0.00 1.69 3.41 -1.26 -2.68 113.62 116.80 1y77 n SER 1066Ca 0.15 0.65 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 1y77 n SER 1066Cb 0.18 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.29 1y77 n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y77 n ARG 1067N -2.04 0.92 0.00 4.33 5.12 -1.26 -4.20 116.66 119.52 1y77 n ARG 1067Ca 0.01 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 1y77 n ARG 1067Cb 0.13 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 1y77 n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y77 n GLY 1068N 1.43 3.29 2.63 -0.13 0.00 -1.09 -4.95 105.19 106.37 1y77 n GLY 1068Ca 0.02 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1y77 n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y77 n PHE 1069N 0.00 -3.16 -3.58 1.61 3.01 -1.26 -3.95 117.46 110.13 1y77 n PHE 1069Ca 0.00 0.23 -0.10 0.00 1.01 0.00 0.00 57.45 58.58 1y77 n PHE 1069Cb 0.00 -1.23 -0.02 0.00 -0.01 0.00 0.00 39.48 38.21 1y77 n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1y77 s GLU 1070N -1.75 1.45 0.31 -1.08 2.02 -0.95 -4.45 118.70 114.25 1y77 s GLU 1070Ca 0.34 -0.66 -0.15 0.00 0.02 0.00 0.00 54.97 54.51 1y77 s GLU 1070Cb -0.05 0.59 -0.09 0.00 0.10 0.00 0.00 34.13 34.68 1y77 s GLU 1070CO 0.67 -0.64 0.73 0.08 0.02 0.00 0.00 175.26 176.11 1y77 s VAL 1071N -3.81 4.67 0.03 2.63 1.01 -1.26 -2.74 120.40 120.92 1y77 s VAL 1071Ca 0.05 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 62.89 1y77 s VAL 1071Cb -0.03 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1y77 s VAL 1071CO -0.06 -0.14 0.23 -0.04 0.00 0.00 0.00 175.10 175.09 1y77 s MET 1072N -2.88 0.69 -0.12 2.72 -1.94 -1.26 -4.28 119.30 112.22 1y77 s MET 1072Ca 0.53 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 54.02 1y77 s MET 1072Cb -0.11 0.29 -0.02 0.00 2.01 0.00 0.00 34.83 37.01 1y77 s MET 1072CO 0.18 -0.20 -0.13 0.71 -0.01 0.00 0.00 175.02 175.57 1y77 s TYR 1073N -2.18 2.80 -0.39 -0.03 1.51 0.28 -0.03 117.35 119.31 1y77 s TYR 1073Ca -0.08 -0.61 -0.29 0.00 -1.01 0.00 0.00 57.07 55.08 1y77 s TYR 1073Cb -0.03 -1.83 -0.08 0.00 -0.11 0.00 0.00 41.96 39.92 1y77 s TYR 1073CO -0.02 -0.19 2.32 -1.71 -1.11 0.00 0.00 175.55 174.85 1y77 n ASN 1074N 3.44 2.52 -0.51 2.29 2.85 0.16 -2.43 115.26 123.58 1y77 n ASN 1074Ca -0.18 -0.03 0.42 0.00 -0.11 0.00 0.00 54.58 54.68 1y77 n ASN 1074Cb 0.53 -1.48 0.71 0.00 1.24 0.00 0.00 39.78 40.78 1y77 n ASN 1074CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1y77 h GLY 1075N 16.12 1.04 0.66 8.20 0.00 -1.75 0.56 103.07 127.89 1y77 h GLY 1075Ca -0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 1y77 h GLY 1075CO 1.07 -0.35 -0.02 0.45 0.00 0.00 0.00 176.54 177.69 1y77 h HIS 1076N 0.03 0.14 0.00 5.60 3.86 -1.78 -3.38 115.15 119.61 1y77 h HIS 1076Ca 0.87 -0.03 -0.28 0.00 -1.16 0.00 0.00 60.37 59.77 1y77 h HIS 1076Cb 2.97 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 31.36 1y77 h HIS 1076CO -0.00 0.49 -1.61 0.25 0.86 0.00 0.00 177.93 177.91 1y77 n THR 1077N -4.80 1.52 0.00 2.45 -2.24 -0.84 -5.00 114.28 105.37 1y77 n THR 1077Ca -0.07 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1y77 n THR 1077Cb 0.24 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 1y77 n THR 1077CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y77 n GLY 1078N 1.39 1.25 3.88 3.38 0.00 0.19 -5.04 105.19 110.23 1y77 n GLY 1078Ca -0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1y77 n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y77 s LYS 1079N -0.50 3.24 0.73 1.61 2.20 -1.25 -4.69 119.74 121.08 1y77 s LYS 1079Ca 0.00 0.59 -0.11 0.00 -0.36 0.00 0.00 55.97 56.10 1y77 s LYS 1079Cb 0.00 -2.06 0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1y77 s LYS 1079CO 0.00 -0.78 1.07 0.15 -0.36 0.00 0.00 175.35 175.43 1y77 s LYS 1080N -5.25 2.63 -0.47 4.03 1.02 -1.26 0.37 119.74 120.80 1y77 s LYS 1080Ca 0.56 1.02 -0.17 0.00 0.02 0.00 0.00 55.97 57.40 1y77 s LYS 1080Cb -0.11 -1.95 0.06 0.00 -0.52 0.00 0.00 37.83 35.31 1y77 s LYS 1080CO 0.53 -1.34 0.46 -0.51 -0.92 0.00 0.00 175.35 173.57 1y77 s LEU 1081N -5.70 5.31 0.08 3.17 1.43 0.95 -4.58 118.68 119.34 1y77 s LEU 1081Ca 0.59 -1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1y77 s LEU 1081Cb -0.15 -2.28 0.17 0.00 0.03 0.00 0.00 46.19 43.95 1y77 s LEU 1081CO 0.55 -0.70 0.43 0.80 0.23 0.00 0.00 176.35 177.66 1y77 n MET 1082N 5.54 -0.02 -3.31 1.70 0.00 -1.26 -4.29 117.12 115.48 1y77 n MET 1082Ca -0.10 0.42 -0.20 0.00 -0.00 0.00 0.00 57.70 57.81 1y77 n MET 1082Cb 0.45 -0.65 0.01 0.00 0.00 0.00 0.00 33.22 33.04 1y77 n MET 1082CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1y77 s ALA 1083N -5.17 4.46 0.26 -5.12 0.00 -1.26 -5.13 121.76 109.79 1y77 s ALA 1083Ca -0.04 -1.81 0.08 0.00 0.00 0.00 0.00 51.96 50.19 1y77 s ALA 1083Cb 0.08 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1y77 s ALA 1083CO 0.21 -0.48 0.16 -0.65 0.00 0.00 0.00 175.76 175.00 1y77 s GLN 1084N -4.38 2.80 -0.03 0.00 1.11 -1.26 -4.68 119.66 113.22 1y77 s GLN 1084Ca 0.52 -1.13 0.08 0.00 0.01 0.00 0.00 55.36 54.84 1y77 s GLN 1084Cb -0.06 -2.48 -0.02 0.00 -1.01 0.00 0.00 33.01 29.44 1y77 s GLN 1084CO 0.32 0.39 -0.26 0.42 0.01 0.00 0.00 175.29 176.17 1y77 s ILE 1085N -2.17 2.06 -0.74 1.08 1.09 -1.11 -4.88 121.20 116.53 1y77 s ILE 1085Ca 0.33 -1.10 -0.26 0.00 -1.10 0.00 0.00 60.65 58.52 1y77 s ILE 1085Cb -0.08 -1.71 -0.01 0.00 -1.06 0.00 0.00 42.46 39.60 1y77 s ILE 1085CO 0.24 0.58 1.74 0.12 -0.10 0.00 0.00 174.94 177.52 1y77 s PHE 1086N -0.53 1.88 0.04 3.97 5.36 -1.26 -2.25 117.98 125.21 1y77 s PHE 1086Ca 0.07 0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.53 1y77 s PHE 1086Cb -0.11 -4.23 -0.04 0.00 -0.34 0.00 0.00 43.02 38.30 1y77 s PHE 1086CO -0.00 -2.11 0.03 0.12 -1.46 0.00 0.00 175.22 171.81 1y77 s PHE 1087N 8.35 3.12 0.00 10.12 5.99 -1.25 -2.65 117.98 141.65 1y77 s PHE 1087Ca 0.60 0.07 0.00 0.00 0.00 0.00 0.00 56.93 57.60 1y77 s PHE 1087Cb -0.09 -1.63 0.00 0.00 0.00 0.00 0.00 43.02 41.29 1y77 s PHE 1087CO 0.12 0.50 0.00 0.41 -0.00 0.00 0.00 175.22 176.25 1y77 n GLY 1088N 0.91 4.13 3.62 13.12 0.00 -1.05 -4.71 105.19 121.21 1y77 n GLY 1088Ca -0.12 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1y77 n GLY 1088CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y77 n PRO 1089N -1.68 -0.32 -3.63 1.61 -0.04 -1.26 -2.77 135.00 126.90 1y77 n PRO 1089Ca 0.00 -0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1y77 n PRO 1089Cb 0.00 -2.28 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 1y77 n PRO 1089CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1y77 s THR 1090N -2.50 0.00 0.30 0.52 2.01 -0.91 -3.97 115.64 111.08 1y77 s THR 1090Ca 0.66 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.38 1y77 s THR 1090Cb -0.24 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 1y77 s THR 1090CO 0.59 0.00 1.02 -0.47 -0.69 0.00 0.00 174.62 175.07 1y77 s TYR 1091N 0.28 3.66 -0.03 4.92 5.04 -1.26 -0.87 117.35 129.09 1y77 s TYR 1091Ca 0.02 1.76 -0.01 0.00 -2.44 0.00 0.00 57.07 56.41 1y77 s TYR 1091Cb -0.05 -3.12 0.03 0.00 0.35 0.00 0.00 41.96 39.17 1y77 s TYR 1091CO -0.03 -0.18 0.04 0.71 -1.34 0.00 0.00 175.55 174.75 1y77 s TYR 1092N -1.32 0.07 0.06 4.97 1.51 0.04 -4.43 117.35 118.25 1y77 s TYR 1092Ca 0.47 0.15 -0.14 0.00 -1.01 0.00 0.00 57.07 56.53 1y77 s TYR 1092Cb -0.27 -0.33 -0.06 0.00 -0.11 0.00 0.00 41.96 41.20 1y77 s TYR 1092CO 0.34 -0.12 0.46 -0.65 -1.11 0.00 0.00 175.55 174.46 1y77 s GLN 1093N 1.39 3.94 -0.49 -0.62 -0.21 0.28 -1.63 119.66 122.33 1y77 s GLN 1093Ca -0.05 0.43 -0.14 0.00 0.02 0.00 0.00 55.36 55.62 1y77 s GLN 1093Cb -0.13 -3.12 0.10 0.00 1.00 0.00 0.00 33.01 30.86 1y77 s GLN 1093CO -0.03 0.62 0.41 0.50 -2.12 0.00 0.00 175.29 174.67 1y77 s ARG 1094N -1.43 2.87 0.29 2.91 3.52 -1.26 -1.80 118.95 124.05 1y77 s ARG 1094Ca 0.29 -1.56 -0.20 0.00 -0.13 0.00 0.00 55.73 54.13 1y77 s ARG 1094Cb -0.16 -4.13 -0.09 0.00 -1.56 0.00 0.00 34.95 29.01 1y77 s ARG 1094CO 0.16 -1.16 0.80 -0.48 -0.81 0.00 0.00 175.30 173.81 1y77 s LEU 1095N 1.56 4.23 0.00 -0.88 0.05 -1.25 -2.41 118.68 119.98 1y77 s LEU 1095Ca 0.04 1.51 -0.04 0.00 0.05 0.00 0.00 54.13 55.68 1y77 s LEU 1095Cb -0.27 -3.90 0.07 0.00 -2.05 0.00 0.00 46.19 40.04 1y77 s LEU 1095CO 0.04 -0.09 0.17 -2.11 -0.55 0.00 0.00 176.35 173.81 1y77 n ARG 1096N 0.28 -2.17 -1.49 1.48 1.85 0.93 -4.63 116.66 112.92 1y77 n ARG 1096Ca 0.01 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 1y77 n ARG 1096Cb 0.52 -0.34 0.00 0.00 -1.05 0.00 0.00 32.46 31.59 1y77 n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1y77 n HIS 1097N -3.33 0.00 -2.73 2.89 8.25 -1.26 -4.81 115.22 114.22 1y77 n HIS 1097Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.28 1y77 n HIS 1097Cb 0.11 -1.51 0.05 0.00 1.12 0.00 0.00 29.99 29.77 1y77 n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1y77 s MET 1098N -3.00 2.36 0.01 -0.41 -1.94 -1.26 -4.15 119.30 110.91 1y77 s MET 1098Ca 0.00 -1.04 -0.11 0.00 -1.71 0.00 0.00 55.69 52.83 1y77 s MET 1098Cb 0.00 -2.52 -0.06 0.00 2.01 0.00 0.00 34.83 34.27 1y77 s MET 1098CO 0.00 -0.83 0.90 -0.24 -0.01 0.00 0.00 175.02 174.84 1y77 h VAL 1099N 0.04 0.00 0.00 -6.03 3.04 -1.94 -3.12 116.25 108.23 1y77 h VAL 1099Ca -0.39 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1y77 h VAL 1099Cb 1.29 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1y77 h VAL 1099CO 0.47 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.50 1y77 n ASP 1100N -3.32 0.00 -0.24 3.17 8.00 -1.26 0.21 116.55 123.11 1y77 n ASP 1100Ca -0.05 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.48 1y77 n ASP 1100Cb 0.15 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1y77 n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1y77 n ASP 1101N 0.04 1.44 0.00 -2.24 8.00 -1.18 -4.71 116.55 117.90 1y77 n ASP 1101Ca 0.00 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1y77 n ASP 1101Cb 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1y77 n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1y77 n LYS 1102N 0.24 0.59 -1.39 -1.24 5.02 0.56 -5.01 118.16 116.93 1y77 n LYS 1102Ca 0.04 0.00 -0.54 0.00 -2.02 0.00 0.00 58.31 55.79 1y77 n LYS 1102Cb 0.16 -0.77 -0.07 0.00 -0.02 0.00 0.00 35.03 34.32 1y77 n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1y77 n ILE 1103N -1.85 0.23 -3.65 -0.18 -0.00 -1.01 -4.90 119.36 108.00 1y77 n ILE 1103Ca 0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 62.75 62.62 1y77 n ILE 1103Cb 0.27 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.84 1y77 n ILE 1103CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1y77 s HIS 1104N -0.12 -0.96 0.07 1.39 5.65 -1.26 -5.00 115.29 115.05 1y77 s HIS 1104Ca 0.82 1.93 0.02 0.00 0.25 0.00 0.00 55.06 58.08 1y77 s HIS 1104Cb -1.15 0.55 -0.03 0.00 -1.18 0.00 0.00 32.58 30.77 1y77 s HIS 1104CO 0.53 -0.49 -0.07 0.00 -0.65 0.00 0.00 174.74 174.06 1y77 s ALA 1105N 1.66 0.76 -0.27 1.58 0.00 -1.26 -5.09 121.76 119.13 1y77 s ALA 1105Ca -0.10 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.61 1y77 s ALA 1105Cb -0.06 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.23 1y77 s ALA 1105CO -0.18 -0.11 0.72 0.50 0.00 0.00 0.00 175.76 176.69 1y77 s ARG 1106N -2.59 0.79 -0.32 0.00 3.52 -1.26 -4.99 118.95 114.09 1y77 s ARG 1106Ca -0.00 1.06 -0.02 0.00 -0.13 0.00 0.00 55.73 56.64 1y77 s ARG 1106Cb -0.03 0.32 0.11 0.00 -1.56 0.00 0.00 34.95 33.79 1y77 s ARG 1106CO -0.02 -0.11 0.15 0.00 -0.81 0.00 0.00 175.30 174.51 1y77 s ALA 1107N 0.77 1.05 0.38 6.12 0.00 -1.26 -4.97 121.76 123.85 1y77 s ALA 1107Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1y77 s ALA 1107Cb -0.05 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1y77 s ALA 1107CO -0.06 -1.80 0.00 2.89 0.00 0.00 0.00 175.76 176.79 1y77 n ARG 1108N 4.70 -2.97 0.00 0.00 1.85 -1.26 -5.07 116.66 113.91 1y77 n ARG 1108Ca 0.01 2.25 0.00 0.00 -1.00 0.00 0.00 57.85 59.11 1y77 n ARG 1108Cb 0.40 -2.83 0.00 0.00 -1.05 0.00 0.00 32.46 28.98 1y77 n ARG 1108CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1y77 n GLY 1109N -1.60 -0.95 3.66 2.89 0.00 -1.26 -5.12 105.19 102.81 1y77 n GLY 1109Ca 0.00 0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1y77 n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y77 n PRO 1110N 0.00 1.94 -5.09 1.61 -0.04 -1.26 -4.96 135.00 127.20 1y77 n PRO 1110Ca 0.00 0.69 -0.32 0.00 -0.04 0.00 0.00 63.50 63.83 1y77 n PRO 1110Cb 0.00 -2.38 -0.15 0.00 -0.04 0.00 0.00 33.50 30.93 1y77 n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1y77 s MET 1111N 0.10 2.71 1.13 0.54 -1.94 -1.26 -2.60 119.30 117.97 1y77 s MET 1111Ca 0.73 -0.82 -0.18 0.00 -1.71 0.00 0.00 55.69 53.71 1y77 s MET 1111Cb -0.70 -2.30 0.13 0.00 2.01 0.00 0.00 34.83 33.98 1y77 s MET 1111CO 0.46 0.40 0.10 0.94 -0.01 0.00 0.00 175.02 176.91 1y77 n GLN 1112N 2.92 -1.85 -0.09 2.03 7.27 0.96 -4.86 117.38 123.76 1y77 n GLN 1112Ca -0.18 -0.53 -0.12 0.00 0.07 0.00 0.00 57.00 56.25 1y77 n GLN 1112Cb 0.52 -1.71 -0.09 0.00 2.41 0.00 0.00 30.24 31.37 1y77 n GLN 1112CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1y77 n VAL 1113N -4.53 1.05 0.07 1.69 0.31 -1.26 -3.49 118.33 112.17 1y77 n VAL 1113Ca 0.01 -0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 63.80 1y77 n VAL 1113Cb 0.60 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.35 1y77 n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1y77 h LEU 1114N 0.00 -0.20 0.17 7.52 5.85 -1.98 -3.37 115.31 123.30 1y77 h LEU 1114Ca -0.41 -0.33 -0.32 0.00 0.84 0.00 0.00 57.88 57.66 1y77 h LEU 1114Cb 1.66 0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.75 1y77 h LEU 1114CO -0.06 0.28 -1.54 0.74 -0.34 0.00 0.00 178.44 177.52 1y77 h THR 1115N -0.75 1.17 -1.02 1.05 2.02 -1.99 -3.49 112.91 109.91 1y77 h THR 1115Ca -0.02 -2.74 -0.11 0.00 0.77 0.00 0.00 66.41 64.30 1y77 h THR 1115Cb 0.51 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1y77 h THR 1115CO 0.04 0.84 -0.15 0.54 0.37 0.00 0.00 175.52 177.15 1y77 n ARG 1116N -3.55 -0.68 -4.14 6.66 1.74 -1.23 -4.36 116.66 111.09 1y77 n ARG 1116Ca -0.18 0.27 -0.23 0.00 -0.77 0.00 0.00 57.85 56.95 1y77 n ARG 1116Cb 1.06 -4.02 -0.06 0.00 -1.02 0.00 0.00 32.46 28.42 1y77 n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1y77 s GLN 1117N -4.42 2.38 0.56 5.56 -0.21 -1.26 -4.51 119.66 117.76 1y77 s GLN 1117Ca 0.02 -1.50 -0.20 0.00 0.02 0.00 0.00 55.36 53.70 1y77 s GLN 1117Cb -0.01 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 1y77 s GLN 1117CO 0.03 0.18 0.98 -2.30 -2.12 0.00 0.00 175.29 172.05 1y77 n PRO 1118N -1.10 1.02 -1.70 2.91 -0.02 -1.26 -0.03 135.00 134.83 1y77 n PRO 1118Ca -0.04 0.39 -0.29 0.00 -2.02 0.00 0.00 63.50 61.54 1y77 n PRO 1118Cb 0.61 -2.15 0.12 0.00 -0.02 0.00 0.00 33.50 32.06 1y77 n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1y77 s VAL 1119N -1.47 1.99 0.13 -1.45 -7.23 -1.07 -4.57 120.40 106.74 1y77 s VAL 1119Ca 0.73 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.91 1y77 s VAL 1119Cb -0.44 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 1y77 s VAL 1119CO 0.49 0.00 0.28 -0.70 -0.31 0.00 0.00 175.10 174.87 1y77 s GLU 1120N -5.43 3.45 0.00 4.82 2.12 -1.26 -1.73 118.70 120.67 1y77 s GLU 1120Ca 0.64 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.45 1y77 s GLU 1120Cb -0.13 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1y77 s GLU 1120CO 0.52 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 176.17 1y77 n GLY 1121N -0.34 -1.27 0.25 -1.50 0.00 -1.26 -4.47 105.19 96.60 1y77 n GLY 1121Ca -0.06 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.77 1y77 n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y77 h ARG 1122N 0.00 0.00 -0.65 1.61 0.11 -1.93 -1.73 114.38 111.79 1y77 h ARG 1122Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1y77 h ARG 1122Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 1y77 h ARG 1122CO 0.00 0.05 0.18 0.66 0.10 0.00 0.00 179.97 180.96 1y77 h SER 1123N 0.00 0.95 -0.52 0.08 4.64 -1.96 -2.99 113.55 113.75 1y77 h SER 1123Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1y77 h SER 1123Cb 0.74 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1y77 h SER 1123CO 0.01 0.90 0.00 0.54 -0.87 0.00 0.00 176.83 177.41 1y77 n ARG 1124N -4.26 2.31 -0.88 4.77 1.74 -1.19 -4.85 116.66 114.30 1y77 n ARG 1124Ca 0.05 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 1y77 n ARG 1124Cb 0.23 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1y77 n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1y77 n ASP 1125N 1.16 -1.34 -3.78 0.55 -0.08 -1.13 -4.72 116.55 107.20 1y77 n ASP 1125Ca 0.19 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.27 1y77 n ASP 1125Cb 0.49 -0.22 0.11 0.00 2.34 0.00 0.00 41.12 43.84 1y77 n ASP 1125CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1y77 n GLY 1126N -2.45 -2.31 3.89 0.27 0.00 -0.66 -4.70 105.19 99.24 1y77 n GLY 1126Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1y77 n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y77 s GLY 1127N -1.66 2.14 0.59 -0.02 0.00 -0.71 -4.70 107.32 102.96 1y77 s GLY 1127Ca 0.33 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1y77 s GLY 1127CO 0.37 -1.72 0.83 1.08 0.00 0.00 0.00 173.10 173.66 1y77 s LEU 1128N -4.18 3.18 -0.04 0.66 1.43 -1.26 -4.59 118.68 113.88 1y77 s LEU 1128Ca 0.48 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 1y77 s LEU 1128Cb -0.03 -2.81 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 1y77 s LEU 1128CO 0.28 -1.27 0.41 -0.60 0.23 0.00 0.00 176.35 175.40 1y77 s ARG 1129N -4.86 4.04 -0.55 1.70 6.06 -1.26 -5.02 118.95 119.05 1y77 s ARG 1129Ca 0.59 0.40 0.05 0.00 -2.50 0.00 0.00 55.73 54.26 1y77 s ARG 1129Cb -0.10 -3.28 0.18 0.00 0.06 0.00 0.00 34.95 31.81 1y77 s ARG 1129CO 0.40 0.55 0.46 0.34 -2.50 0.00 0.00 175.30 174.54 1y77 n PHE 1130N 2.34 1.19 -2.62 5.12 7.35 -1.26 -5.05 117.46 124.53 1y77 n PHE 1130Ca -0.12 -3.81 -0.13 0.00 -0.76 0.00 0.00 57.45 52.63 1y77 n PHE 1130Cb 0.52 -0.22 0.06 0.00 0.35 0.00 0.00 39.48 40.20 1y77 n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1y77 n GLY 1131N 2.17 1.04 0.01 7.13 0.00 -1.26 -4.81 105.19 109.48 1y77 n GLY 1131Ca 0.25 -2.05 -0.00 0.00 0.00 0.00 0.00 46.02 44.22 1y77 n GLY 1131CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y77 n GLU 1132N -2.01 -0.01 -0.25 1.61 1.02 -1.26 -1.31 120.64 118.42 1y77 n GLU 1132Ca 0.10 0.53 0.05 0.00 -0.02 0.00 0.00 57.16 57.82 1y77 n GLU 1132Cb 0.36 -0.80 0.16 0.00 -0.02 0.00 0.00 31.44 31.14 1y77 n GLU 1132CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1y77 h MET 1133N 0.00 0.11 0.00 3.49 2.86 -1.98 0.35 114.93 119.77 1y77 h MET 1133Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1y77 h MET 1133Cb 0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1y77 h MET 1133CO -0.03 0.08 -0.11 0.93 1.06 0.00 0.00 176.91 178.84 1y77 h GLU 1134N 0.12 0.00 0.14 1.72 3.07 -1.55 -2.70 114.58 115.38 1y77 h GLU 1134Ca 0.41 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.26 1y77 h GLU 1134Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1y77 h GLU 1134CO -0.64 0.11 -0.07 -0.09 -1.40 0.00 0.00 179.01 176.92 1y77 h ARG 1135N 0.00 -0.18 -0.68 2.33 2.43 0.53 -3.05 114.38 115.75 1y77 h ARG 1135Ca -0.00 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.38 1y77 h ARG 1135Cb 0.48 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1y77 h ARG 1135CO 0.01 0.11 0.99 -0.44 -1.51 0.00 0.00 179.97 179.13 1y77 h ASP 1136N -1.00 0.00 0.24 -3.80 5.19 -0.68 1.11 116.42 117.48 1y77 h ASP 1136Ca -0.02 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.05 1y77 h ASP 1136Cb 0.37 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 1y77 h ASP 1136CO 0.03 0.00 -1.76 0.00 -3.12 0.00 0.00 179.24 174.39 1y77 h MET 1138N 0.09 0.49 -0.35 0.00 2.86 0.13 0.38 114.93 118.53 1y77 h MET 1138Ca -0.34 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.13 1y77 h MET 1138Cb 2.07 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.66 1y77 h MET 1138CO 0.15 0.60 0.06 0.82 1.06 0.00 0.00 176.91 179.60 1y77 h ILE 1139N 0.46 1.24 0.18 -1.22 2.04 -1.11 0.21 117.51 119.31 1y77 h ILE 1139Ca 0.09 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.12 1y77 h ILE 1139Cb 0.46 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1y77 h ILE 1139CO 0.03 0.28 -0.46 0.00 0.00 0.00 0.00 178.15 178.00 1y77 h ALA 1140N 0.90 -0.98 -0.69 1.87 0.00 -0.82 0.14 119.26 119.69 1y77 h ALA 1140Ca 0.11 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1y77 h ALA 1140Cb 0.36 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1y77 h ALA 1140CO 0.01 -1.07 0.64 0.45 0.00 0.00 0.00 179.25 179.27 1y77 h HIS 1141N -0.71 0.00 -0.52 0.00 3.86 -0.09 -3.44 115.15 114.25 1y77 h HIS 1141Ca -0.02 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1y77 h HIS 1141Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1y77 h HIS 1141CO -0.39 0.00 -0.06 0.41 0.86 0.00 0.00 177.93 178.75 1y77 n GLY 1142N -1.60 0.38 2.56 2.45 0.00 0.04 -4.95 105.19 104.07 1y77 n GLY 1142Ca 0.14 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1y77 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y77 n ALA 1143N -1.41 6.48 -0.24 4.61 0.00 -0.50 -4.90 120.51 124.55 1y77 n ALA 1143Ca -0.02 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.12 1y77 n ALA 1143Cb 0.52 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1y77 n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 n ALA 1144N 1.11 0.00 -0.14 0.00 0.00 -1.26 -2.18 120.51 118.04 1y77 n ALA 1144Ca 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.96 1y77 n ALA 1144Cb 0.26 0.22 0.04 0.00 0.00 0.00 0.00 19.45 19.97 1y77 n ALA 1144CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1y77 h SER 1145N 0.00 -0.17 -0.96 0.00 0.02 -1.99 -1.46 113.55 108.98 1y77 h SER 1145Ca 0.00 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 61.17 1y77 h SER 1145Cb 0.00 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.65 1y77 h SER 1145CO 0.00 -0.05 0.61 0.15 -1.14 0.00 0.00 176.83 176.40 1y77 h PHE 1146N 0.12 1.05 0.55 3.45 3.57 -1.91 0.11 116.94 123.88 1y77 h PHE 1146Ca 0.22 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1y77 h PHE 1146Cb 0.32 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1y77 h PHE 1146CO -0.28 0.44 -0.30 1.25 -2.23 0.00 0.00 178.31 177.18 1y77 h LEU 1147N 0.93 -0.74 -1.00 0.59 6.46 -0.78 -1.19 115.31 119.58 1y77 h LEU 1147Ca 0.47 0.04 0.30 0.00 -0.12 0.00 0.00 57.88 58.56 1y77 h LEU 1147Cb 0.49 0.21 -0.14 0.00 -0.73 0.00 0.00 40.66 40.48 1y77 h LEU 1147CO -0.23 -0.48 0.57 0.50 -0.62 0.00 0.00 178.44 178.18 1y77 h LYS 1148N -0.78 0.37 -0.17 1.25 3.64 -0.76 -0.60 116.57 119.51 1y77 h LYS 1148Ca -0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1y77 h LYS 1148Cb 0.62 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1y77 h LYS 1148CO 0.10 0.25 0.08 1.49 -2.27 0.00 0.00 179.45 179.09 1y77 h GLU 1149N 0.38 0.24 0.26 1.90 4.81 -0.30 0.28 114.58 122.17 1y77 h GLU 1149Ca 0.71 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.89 1y77 h GLU 1149Cb 1.57 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.91 1y77 h GLU 1149CO -0.58 0.30 -0.14 0.00 -0.73 0.00 0.00 179.01 177.86 1y77 h ARG 1150N 0.13 -0.37 -0.13 1.92 2.47 0.06 -2.22 114.38 116.25 1y77 h ARG 1150Ca 0.06 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.84 1y77 h ARG 1150Cb 0.14 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1y77 h ARG 1150CO -0.01 -0.24 0.11 -0.07 0.56 0.00 0.00 179.97 180.32 1y77 h LEU 1151N -0.38 0.00 0.00 3.04 4.07 -1.04 -3.36 115.31 117.65 1y77 h LEU 1151Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1y77 h LEU 1151Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 1y77 h LEU 1151CO 0.05 0.00 0.00 0.23 -1.08 0.00 0.00 178.44 177.64 1y77 n MET 1152N -4.23 0.00 0.09 1.13 2.81 0.98 -4.14 117.12 113.76 1y77 n MET 1152Ca 0.00 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.90 1y77 n MET 1152Cb 0.23 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.79 1y77 n MET 1152CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1y77 n GLU 1153N 0.00 0.02 -0.92 0.03 4.71 -1.15 -0.02 120.64 123.31 1y77 n GLU 1153Ca 0.00 0.31 0.03 0.00 -0.01 0.00 0.00 57.16 57.48 1y77 n GLU 1153Cb 0.00 -2.08 0.16 0.00 -1.01 0.00 0.00 31.44 28.51 1y77 n GLU 1153CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1y77 n ALA 1154N -1.22 3.57 -2.00 0.62 0.00 -0.85 -4.98 120.51 115.65 1y77 n ALA 1154Ca -0.00 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1y77 n ALA 1154Cb 0.53 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1y77 n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1y77 n SER 1155N -0.82 0.00 0.00 0.00 2.88 0.97 -4.92 113.62 111.73 1y77 n SER 1155Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1y77 n SER 1155Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 1y77 n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1y77 n ASP 1156N 0.00 0.00 -1.86 -3.46 8.00 -1.22 -4.82 116.55 113.19 1y77 n ASP 1156Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1y77 n ASP 1156Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1y77 n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y77 n ALA 1157N -3.00 -2.12 -3.57 2.24 0.00 -1.25 -4.75 120.51 108.06 1y77 n ALA 1157Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.73 1y77 n ALA 1157Cb 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1y77 n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1y77 s PHE 1158N -1.08 -0.64 -0.34 0.00 5.36 -0.97 -4.58 117.98 115.73 1y77 s PHE 1158Ca 0.00 1.29 -0.05 0.00 -0.96 0.00 0.00 56.93 57.21 1y77 s PHE 1158Cb 0.00 0.37 0.05 0.00 -0.34 0.00 0.00 43.02 43.10 1y77 s PHE 1158CO 0.00 -0.48 0.09 0.50 -1.46 0.00 0.00 175.22 173.86 1y77 s ARG 1159N -0.63 2.50 0.38 10.12 3.00 -1.26 -1.16 118.95 131.89 1y77 s ARG 1159Ca -0.06 -1.28 0.08 0.00 -1.00 0.00 0.00 55.73 53.47 1y77 s ARG 1159Cb -0.02 -3.39 -0.04 0.00 0.00 0.00 0.00 34.95 31.50 1y77 s ARG 1159CO 0.05 -0.70 0.20 0.08 0.00 0.00 0.00 175.30 174.92 1y77 s VAL 1160N 1.33 2.65 0.15 7.11 1.01 -0.96 -4.97 120.40 126.72 1y77 s VAL 1160Ca -0.02 -1.64 0.09 0.00 0.00 0.00 0.00 61.98 60.41 1y77 s VAL 1160Cb -0.20 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1y77 s VAL 1160CO 0.01 -0.08 -0.16 -1.00 0.00 0.00 0.00 175.10 173.87 1y77 s HIS 1161N -2.51 2.54 0.37 5.22 3.76 -1.26 -1.76 115.29 121.65 1y77 s HIS 1161Ca 0.41 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 55.10 1y77 s HIS 1161Cb 0.00 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 1y77 s HIS 1161CO 0.23 0.44 0.12 0.42 -0.85 0.00 0.00 174.74 175.11 1y77 s ILE 1162N -1.39 0.68 -0.10 0.60 1.01 -0.54 -4.31 121.20 117.14 1y77 s ILE 1162Ca 0.21 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.84 1y77 s ILE 1162Cb -0.10 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1y77 s ILE 1162CO 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 174.94 175.04 1y77 n GLY 1164N 2.46 -1.28 0.00 0.00 0.00 -1.05 -4.05 105.19 101.27 1y77 n GLY 1164Ca -0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1y77 n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y77 n ILE 1165N -1.40 0.00 -3.49 -0.61 5.41 -1.26 -4.83 119.36 113.18 1y77 n ILE 1165Ca 0.09 0.39 -0.43 0.00 1.00 0.00 0.00 62.75 63.81 1y77 n ILE 1165Cb 0.26 -1.30 -0.10 0.00 -0.71 0.00 0.00 39.64 37.79 1y77 n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y77 n GLY 1167N 5.12 1.75 3.52 0.00 0.00 -1.26 -4.04 105.19 110.28 1y77 n GLY 1167Ca -0.11 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1y77 n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y77 s LEU 1168N 0.01 2.29 0.00 0.99 1.43 -1.26 -0.16 118.68 121.97 1y77 s LEU 1168Ca 0.02 -1.45 0.27 0.00 -1.03 0.00 0.00 54.13 51.95 1y77 s LEU 1168Cb 0.01 -0.46 1.35 0.00 0.03 0.00 0.00 46.19 47.11 1y77 s LEU 1168CO -0.00 -0.65 1.90 0.23 0.23 0.00 0.00 176.35 178.06 1y77 n MET 1169N -0.82 1.33 -0.24 1.70 2.81 -1.26 -3.30 117.12 117.33 1y77 n MET 1169Ca -0.05 -0.48 -0.06 0.00 -1.81 0.00 0.00 57.70 55.30 1y77 n MET 1169Cb 0.66 -1.45 -0.06 0.00 -0.71 0.00 0.00 33.22 31.67 1y77 n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1y77 n THR 1170N -0.39 -0.39 0.00 2.03 -1.04 -1.26 -4.78 114.28 108.45 1y77 n THR 1170Ca 0.20 1.53 0.00 0.00 -2.04 0.00 0.00 64.05 63.74 1y77 n THR 1170Cb 0.22 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 1y77 n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1y77 n VAL 1171N -4.54 0.00 -3.38 12.58 0.31 -1.26 -4.88 118.33 117.16 1y77 n VAL 1171Ca 0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.96 1y77 n VAL 1171Cb 0.15 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.04 1y77 n VAL 1171CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1y77 n ILE 1172N 0.00 3.80 -2.21 2.52 5.41 -1.08 -4.95 119.36 122.85 1y77 n ILE 1172Ca 0.00 -5.41 -0.43 0.00 1.00 0.00 0.00 62.75 57.91 1y77 n ILE 1172Cb 0.00 -2.27 -0.02 0.00 -0.71 0.00 0.00 39.64 36.63 1y77 n ILE 1172CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y77 s ALA 1173N -1.97 2.92 -0.53 -1.39 0.00 -1.26 -4.41 121.76 115.12 1y77 s ALA 1173Ca 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1y77 s ALA 1173Cb -0.00 -4.00 0.49 0.00 0.00 0.00 0.00 23.12 19.61 1y77 s ALA 1173CO -0.03 -2.59 1.96 1.63 0.00 0.00 0.00 175.76 176.72 1y77 n LYS 1174N 8.30 2.39 0.00 0.00 5.02 -1.11 -4.96 118.16 127.80 1y77 n LYS 1174Ca 0.19 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.58 1y77 n LYS 1174Cb 0.48 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 1y77 n LYS 1174CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1y77 n LEU 1175N -0.82 0.00 0.00 -0.35 4.77 -1.26 -3.15 117.00 116.19 1y77 n LEU 1175Ca 0.56 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1y77 n LEU 1175Cb 1.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1y77 n LEU 1175CO 0.66 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.31 1y77 n ASN 1176N 0.00 0.00 -1.07 -1.43 3.02 -1.26 -4.86 115.26 109.66 1y77 n ASN 1176Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.59 1y77 n ASN 1176Cb 0.00 0.05 0.19 0.00 -0.61 0.00 0.00 39.78 39.40 1y77 n ASN 1176CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1y77 n HIS 1177N -1.19 0.90 0.00 3.10 8.25 -1.19 -4.88 115.22 120.21 1y77 n HIS 1177Ca 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1y77 n HIS 1177Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1y77 n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1y77 n ASN 1178N 0.34 0.00 -4.40 0.41 3.02 -1.26 -4.88 115.26 108.49 1y77 n ASN 1178Ca 0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 1y77 n ASN 1178Cb 0.63 -1.02 0.01 0.00 -0.61 0.00 0.00 39.78 38.78 1y77 n ASN 1178CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y77 n GLN 1179N -1.36 0.37 0.00 3.52 6.02 -1.26 -4.80 117.38 119.87 1y77 n GLN 1179Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1y77 n GLN 1179Cb 0.00 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1y77 n GLN 1179CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1y77 n PHE 1180N -1.03 0.00 0.00 1.08 0.99 -1.26 -2.74 117.46 114.50 1y77 n PHE 1180Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 1y77 n PHE 1180Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.89 1y77 n PHE 1180CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1y77 n GLU 1181N -1.53 0.00 0.00 -1.08 1.02 -1.26 -2.62 120.64 115.18 1y77 n GLU 1181Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y77 n GLU 1181Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 1y77 n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y77 n LYS 1183N 0.00 0.00 0.00 0.00 -0.00 -1.26 -1.92 118.16 114.98 1y77 n LYS 1183Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1y77 n LYS 1183Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.65 1y77 n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1y77 n GLY 1184N 0.86 2.39 0.21 2.58 0.00 -1.26 -4.10 105.19 105.87 1y77 n GLY 1184Ca 0.05 -0.73 0.11 0.00 0.00 0.00 0.00 46.02 45.44 1y77 n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y77 n ASP 1186N -0.87 -4.96 0.00 0.00 -0.08 -0.81 -5.00 116.55 104.83 1y77 n ASP 1186Ca 0.07 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.17 1y77 n ASP 1186Cb 0.38 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.54 1y77 n ASP 1186CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1y77 n ASN 1187N 2.22 0.35 0.00 1.67 2.85 -1.26 -4.88 115.26 116.20 1y77 n ASN 1187Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1y77 n ASN 1187Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1y77 n ASN 1187CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1y77 n LYS 1188N 0.00 0.00 -0.02 1.20 5.02 -1.26 -4.26 118.16 118.84 1y77 n LYS 1188Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1y77 n LYS 1188Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1y77 n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1y77 n ILE 1189N 0.00 0.35 -2.40 -0.18 5.41 -1.26 -4.70 119.36 116.58 1y77 n ILE 1189Ca 0.00 0.41 -0.39 0.00 1.00 0.00 0.00 62.75 63.76 1y77 n ILE 1189Cb 0.00 -1.69 -0.03 0.00 -0.71 0.00 0.00 39.64 37.21 1y77 n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1y77 s ASP 1190N -4.47 5.95 -0.08 4.38 2.15 -1.26 -4.95 116.67 118.39 1y77 s ASP 1190Ca -0.07 -0.45 -0.06 0.00 0.43 0.00 0.00 52.55 52.40 1y77 s ASP 1190Cb 0.01 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1y77 s ASP 1190CO 0.10 -1.97 0.20 -0.63 -0.17 0.00 0.00 175.17 172.71 1y77 s ILE 1191N 6.65 -0.01 0.45 4.11 1.01 -1.26 -2.52 121.20 129.62 1y77 s ILE 1191Ca 0.46 0.05 0.05 0.00 0.00 0.00 0.00 60.65 61.22 1y77 s ILE 1191Cb -0.08 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 1y77 s ILE 1191CO 0.11 0.02 0.09 -0.31 0.00 0.00 0.00 174.94 174.85 1y77 s TYR 1192N 0.49 2.28 -0.04 3.97 1.51 -1.14 -4.95 117.35 119.46 1y77 s TYR 1192Ca -0.03 -0.74 0.01 0.00 -1.01 0.00 0.00 57.07 55.30 1y77 s TYR 1192Cb -0.05 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 40.03 1y77 s TYR 1192CO -0.02 0.24 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.46 1y77 s GLN 1193N -3.86 0.84 0.08 -0.62 0.74 -1.26 -1.47 119.66 114.11 1y77 s GLN 1193Ca 0.28 -0.14 0.02 0.00 0.05 0.00 0.00 55.36 55.58 1y77 s GLN 1193Cb 0.05 -0.83 -0.04 0.00 1.10 0.00 0.00 33.01 33.30 1y77 s GLN 1193CO 0.15 -0.05 -0.07 0.96 -0.55 0.00 0.00 175.29 175.73 1y77 s ILE 1194N 0.77 0.69 -0.20 -2.34 -4.36 -0.72 -5.00 121.20 110.04 1y77 s ILE 1194Ca -0.11 -1.66 -0.05 0.00 -0.26 0.00 0.00 60.65 58.58 1y77 s ILE 1194Cb -0.13 -1.34 -0.03 0.00 1.25 0.00 0.00 42.46 42.21 1y77 s ILE 1194CO 0.00 -0.69 0.00 -1.00 0.24 0.00 0.00 174.94 173.50 1y77 s HIS 1195N -2.82 3.05 0.01 1.37 3.76 -1.26 -2.26 115.29 117.14 1y77 s HIS 1195Ca 0.05 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.45 1y77 s HIS 1195Cb -0.00 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.62 1y77 s HIS 1195CO -0.03 -0.20 0.21 0.96 -0.85 0.00 0.00 174.74 174.83 1y77 s ILE 1196N 0.93 0.08 -0.10 0.60 -4.36 -0.31 -4.94 121.20 113.10 1y77 s ILE 1196Ca 0.01 -0.66 -0.33 0.00 -0.26 0.00 0.00 60.65 59.41 1y77 s ILE 1196Cb -0.14 -0.60 -0.11 0.00 1.25 0.00 0.00 42.46 42.86 1y77 s ILE 1196CO 0.02 -0.36 1.94 -0.81 0.24 0.00 0.00 174.94 175.97 1y77 n PRO 1197N 1.22 2.19 -0.33 0.37 -0.04 -1.26 -2.30 135.00 134.84 1y77 n PRO 1197Ca -0.22 0.78 0.18 0.00 -0.04 0.00 0.00 63.50 64.21 1y77 n PRO 1197Cb 0.56 -2.73 0.36 0.00 -0.04 0.00 0.00 33.50 31.65 1y77 n PRO 1197CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1y77 h TYR 1198N 10.06 0.24 -0.94 0.54 3.20 -1.85 1.75 116.97 129.97 1y77 h TYR 1198Ca -0.47 0.06 0.21 0.00 3.14 0.00 0.00 58.73 61.67 1y77 h TYR 1198Cb 1.27 0.05 -0.12 0.00 1.54 0.00 0.00 36.73 39.47 1y77 h TYR 1198CO 0.90 -0.39 0.50 0.00 -1.64 0.00 0.00 178.16 177.54 1y77 h ALA 1199N 1.94 1.56 -0.15 1.82 0.00 -1.88 0.67 119.26 123.22 1y77 h ALA 1199Ca 0.65 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.66 1y77 h ALA 1199Cb 1.43 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1y77 h ALA 1199CO -0.83 -0.22 0.04 0.00 0.00 0.00 0.00 179.25 178.25 1y77 h ALA 1200N 1.68 0.20 -0.42 0.00 0.00 0.23 0.36 119.26 121.31 1y77 h ALA 1200Ca 0.57 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1y77 h ALA 1200Cb 1.01 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1y77 h ALA 1200CO -0.45 -0.16 -0.52 -0.22 0.00 0.00 0.00 179.25 177.89 1y77 h LYS 1201N 0.06 -0.36 -0.97 0.00 3.64 -0.48 0.41 116.57 118.87 1y77 h LYS 1201Ca 0.05 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 1y77 h LYS 1201Cb 0.25 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 1y77 h LYS 1201CO -0.00 -0.24 0.61 1.25 -2.27 0.00 0.00 179.45 178.81 1y77 h LEU 1202N -0.37 0.85 -0.49 5.20 6.46 -0.80 0.25 115.31 126.40 1y77 h LEU 1202Ca 0.10 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1y77 h LEU 1202Cb 0.59 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.35 1y77 h LEU 1202CO -0.60 0.44 0.16 0.25 -0.62 0.00 0.00 178.44 178.07 1y77 h LEU 1203N 0.90 0.14 0.68 2.25 5.85 0.39 0.47 115.31 125.99 1y77 h LEU 1203Ca 0.49 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.24 1y77 h LEU 1203Cb 0.57 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.67 1y77 h LEU 1203CO -0.25 0.11 -0.33 -0.26 -0.34 0.00 0.00 178.44 177.37 1y77 h PHE 1204N 0.32 -0.84 -0.64 1.25 0.05 0.16 -1.50 116.94 115.74 1y77 h PHE 1204Ca 0.24 -0.02 0.14 0.00 3.82 0.00 0.00 57.97 62.14 1y77 h PHE 1204Cb 0.26 0.28 -0.11 0.00 2.00 0.00 0.00 35.95 38.38 1y77 h PHE 1204CO -0.17 -0.49 -0.03 1.96 -0.18 0.00 0.00 178.31 179.39 1y77 h GLN 1205N -1.13 0.08 -0.86 1.51 4.20 -0.50 0.39 115.11 118.81 1y77 h GLN 1205Ca -0.09 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.69 1y77 h GLN 1205Cb 0.73 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.42 1y77 h GLN 1205CO 0.15 0.06 0.52 0.93 -0.67 0.00 0.00 178.83 179.82 1y77 h GLU 1206N 0.09 0.88 0.11 1.46 5.08 -0.84 -0.68 114.58 120.68 1y77 h GLU 1206Ca 0.33 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1y77 h GLU 1206Cb 0.54 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1y77 h GLU 1206CO -0.58 0.58 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.90 1y77 h LEU 1207N 0.91 -0.12 -0.57 1.33 3.38 0.71 -2.84 115.31 118.10 1y77 h LEU 1207Ca 0.40 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.37 1y77 h LEU 1207Cb 0.27 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 1y77 h LEU 1207CO -0.21 0.03 0.06 0.24 0.09 0.00 0.00 178.44 178.65 1y77 h MET 1208N -0.27 0.18 -0.00 1.13 2.86 -0.08 0.42 114.93 119.15 1y77 h MET 1208Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1y77 h MET 1208Cb 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1y77 h MET 1208CO 0.02 0.12 0.18 0.00 1.06 0.00 0.00 176.91 178.29 1y77 h ALA 1209N 1.49 1.19 -0.58 6.32 0.00 -0.91 2.17 119.26 128.94 1y77 h ALA 1209Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1y77 h ALA 1209Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1y77 h ALA 1209CO -0.44 -0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.30 1y77 n MET 1210N -2.99 3.35 -1.05 0.00 2.00 0.14 -4.91 117.12 113.66 1y77 n MET 1210Ca -0.02 -2.51 -0.02 0.00 0.00 0.00 0.00 57.70 55.15 1y77 n MET 1210Cb 0.24 -1.80 -0.01 0.00 0.00 0.00 0.00 33.22 31.65 1y77 n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1y77 n ASN 1211N 1.01 -3.99 -4.79 7.83 2.85 0.73 -5.02 115.26 113.88 1y77 n ASN 1211Ca 0.23 0.05 -0.36 0.00 -0.11 0.00 0.00 54.58 54.38 1y77 n ASN 1211Cb 0.78 -1.66 -0.07 0.00 1.24 0.00 0.00 39.78 40.07 1y77 n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1y77 s ILE 1212N -1.82 5.14 -0.25 -1.44 1.01 -0.85 -4.95 121.20 118.04 1y77 s ILE 1212Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 1y77 s ILE 1212Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1y77 s ILE 1212CO 0.00 0.58 0.12 0.42 0.00 0.00 0.00 174.94 176.06 1y77 s THR 1213N -0.69 4.84 -0.47 2.92 -4.23 -1.26 -2.31 115.64 114.43 1y77 s THR 1213Ca 0.12 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 1y77 s THR 1213Cb -0.12 -3.27 0.08 0.00 1.34 0.00 0.00 72.50 70.53 1y77 s THR 1213CO 0.03 0.32 0.39 -2.16 -0.54 0.00 0.00 174.62 172.65 1y77 s PRO 1214N 1.51 2.96 -0.10 3.99 0.04 -1.26 -5.06 135.00 137.08 1y77 s PRO 1214Ca 0.06 -1.38 -0.22 0.00 0.04 0.00 0.00 61.00 59.51 1y77 s PRO 1214Cb -0.15 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1y77 s PRO 1214CO 0.06 -1.04 0.63 1.03 0.04 0.00 0.00 177.00 177.73 1y77 s ARG 1215N 1.63 4.37 -0.40 4.56 1.81 -1.26 -4.63 118.95 125.04 1y77 s ARG 1215Ca 0.04 0.73 -0.11 0.00 -1.72 0.00 0.00 55.73 54.67 1y77 s ARG 1215Cb -0.25 -3.47 0.05 0.00 -0.45 0.00 0.00 34.95 30.83 1y77 s ARG 1215CO 0.06 0.03 0.24 -0.51 -0.68 0.00 0.00 175.30 174.44 1y77 s LEU 1216N 0.97 4.94 -0.06 2.53 1.43 0.77 -4.94 118.68 124.33 1y77 s LEU 1216Ca 0.33 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.26 1y77 s LEU 1216Cb -0.17 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1y77 s LEU 1216CO 0.15 -0.46 -0.15 -0.31 0.23 0.00 0.00 176.35 175.80 1y77 s TYR 1217N 1.52 2.68 -2.11 0.29 1.51 -1.26 -4.45 117.35 115.53 1y77 s TYR 1217Ca 0.02 -0.31 0.15 0.00 -1.01 0.00 0.00 57.07 55.92 1y77 s TYR 1217Cb -0.21 -1.66 0.49 0.00 -0.11 0.00 0.00 41.96 40.47 1y77 s TYR 1217CO 0.05 0.07 1.38 0.25 -1.11 0.00 0.00 175.55 176.18 1y77 n THR 1218N 2.61 0.38 -3.84 -0.71 -2.24 -1.26 -4.87 114.28 104.34 1y77 n THR 1218Ca -0.17 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.05 1y77 n THR 1218Cb 0.52 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.92 1y77 n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1y77 s ASP 1219N -1.22 -0.09 -0.12 3.42 1.47 -1.26 -5.13 116.67 113.74 1y77 s ASP 1219Ca 0.28 0.15 -0.19 0.00 1.18 0.00 0.00 52.55 53.97 1y77 s ASP 1219Cb 0.15 0.23 -0.04 0.00 -0.34 0.00 0.00 42.92 42.91 1y77 s ASP 1219CO 0.20 -0.09 0.51 0.00 0.68 0.00 0.00 175.17 176.48 1y77 s ARG 1220N -0.16 4.35 -0.00 2.11 1.70 -1.26 -4.90 118.95 120.78 1y77 s ARG 1220Ca -0.02 0.51 0.04 0.00 -0.47 0.00 0.00 55.73 55.79 1y77 s ARG 1220Cb -0.02 -3.44 -0.05 0.00 -0.57 0.00 0.00 34.95 30.87 1y77 s ARG 1220CO 0.00 0.13 0.19 -1.13 -1.08 0.00 0.00 175.30 173.40 1y77 n SER 1221N 3.75 0.44 -0.16 -2.89 3.41 -1.26 -4.59 113.62 112.32 1y77 n SER 1221Ca -0.06 -0.57 0.14 0.00 -0.26 0.00 0.00 58.87 58.12 1y77 n SER 1221Cb 0.51 1.01 0.51 0.00 -0.26 0.00 0.00 64.21 65.99 1y77 n SER 1221CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1y77 n ARG 1222N -1.14 0.71 0.00 4.33 0.63 -1.26 -5.05 116.66 114.89 1y77 n ARG 1222Ca 0.01 -0.33 0.00 0.00 -0.92 0.00 0.00 57.85 56.61 1y77 n ARG 1222Cb 0.07 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.49 1y77 n ARG 1222CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1y77 n ASP 1223N -0.86 -2.93 0.00 6.15 8.00 -1.26 -5.35 116.55 120.29 1y77 n ASP 1223Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1y77 n ASP 1223Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1y77 n ASP 1223CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30