#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r76 s VAL 26 N 0.00 0.20 0.00 0.00 1.01 -1.26 -3.52 120.40 116.83 1r76 s VAL 26 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1r76 s VAL 26 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1r76 s VAL 26 CO 0.00 -1.11 0.61 -0.38 0.00 0.00 0.00 175.10 174.22 1r76 n ILE 27 N 2.99 0.00 -1.86 2.22 5.41 0.27 -4.91 119.36 123.48 1r76 n ILE 27 Ca 0.27 1.11 0.00 0.00 1.00 0.00 0.00 62.75 65.13 1r76 n ILE 27 Cb 0.48 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.65 1r76 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r76 n GLY 28 N -0.89 4.33 3.32 7.39 0.00 -1.04 -5.00 105.19 113.30 1r76 n GLY 28 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 1r76 n GLY 28 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r76 s MET 29 N 1.65 1.22 -0.18 1.61 -1.94 -1.26 0.10 119.30 120.50 1r76 s MET 29 Ca 0.00 -1.23 -0.21 0.00 -1.71 0.00 0.00 55.69 52.54 1r76 s MET 29 Cb 0.00 -1.58 -0.03 0.00 2.01 0.00 0.00 34.83 35.24 1r76 s MET 29 CO 0.00 0.37 0.63 1.21 -0.01 0.00 0.00 175.02 177.22 1r76 s ASN 30 N -1.96 6.71 0.18 3.03 3.04 0.53 -4.82 114.94 121.66 1r76 s ASN 30 Ca 0.09 0.87 0.00 0.00 0.04 0.00 0.00 52.86 53.86 1r76 s ASN 30 Cb -0.10 -2.35 -0.04 0.00 -1.54 0.00 0.00 41.25 37.22 1r76 s ASN 30 CO 0.05 -0.25 0.36 -1.61 -3.04 0.00 0.00 177.10 172.60 1r76 s GLU 31 N 1.78 3.50 0.69 0.43 0.41 -1.26 -4.78 118.70 119.47 1r76 s GLU 31 Ca 0.29 -0.41 -0.13 0.00 -0.41 0.00 0.00 54.97 54.32 1r76 s GLU 31 Cb -0.16 -2.88 0.01 0.00 -1.78 0.00 0.00 34.13 29.33 1r76 s GLU 31 CO 0.11 0.44 1.08 0.00 -0.49 0.00 0.00 175.26 176.40 1r76 s ALA 32 N -1.83 2.51 0.82 5.21 0.00 -1.26 -4.68 121.76 122.54 1r76 s ALA 32 Ca 0.37 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 1r76 s ALA 32 Cb -0.11 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.85 1r76 s ALA 32 CO 0.29 -1.32 1.14 0.00 0.00 0.00 0.00 175.76 175.86 1r76 s ALA 33 N -2.73 2.35 -0.19 0.00 0.00 -1.26 -4.84 121.76 115.09 1r76 s ALA 33 Ca 0.62 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1r76 s ALA 33 Cb -0.17 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1r76 s ALA 33 CO 0.49 -1.78 -0.06 -1.12 0.00 0.00 0.00 175.76 173.29 1r76 s SER 34 N -4.25 4.29 0.51 0.00 0.01 -1.26 -4.68 113.70 108.32 1r76 s SER 34 Ca 0.62 -0.35 -0.22 0.00 1.31 0.00 0.00 55.95 57.31 1r76 s SER 34 Cb -0.13 -1.72 -0.06 0.00 0.21 0.00 0.00 66.02 64.33 1r76 s SER 34 CO 0.52 0.04 1.28 0.00 0.41 0.00 0.00 173.24 175.49 1r76 s ALA 35 N 1.10 2.89 -1.10 1.44 0.00 -1.26 -4.83 121.76 120.00 1r76 s ALA 35 Ca 0.01 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.94 1r76 s ALA 35 Cb -0.15 -3.49 0.07 0.00 0.00 0.00 0.00 23.12 19.55 1r76 s ALA 35 CO -0.01 -1.07 1.50 -1.17 0.00 0.00 0.00 175.76 175.01 1r76 s LEU 36 N -3.30 3.84 0.31 0.00 2.96 -1.26 -4.93 118.68 116.30 1r76 s LEU 36 Ca 0.68 -1.89 0.06 0.00 -0.22 0.00 0.00 54.13 52.76 1r76 s LEU 36 Cb -0.36 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.77 1r76 s LEU 36 CO 0.43 -1.32 0.45 0.42 -1.32 0.00 0.00 176.35 175.00 1r76 s THR 37 N 4.34 4.37 0.56 3.68 -4.23 -1.26 -5.01 115.64 118.09 1r76 s THR 37 Ca 0.47 -0.98 0.29 0.00 -1.18 0.00 0.00 61.69 60.29 1r76 s THR 37 Cb 0.01 -3.52 0.34 0.00 1.34 0.00 0.00 72.50 70.67 1r76 s THR 37 CO -0.04 -0.20 2.22 -0.65 -0.54 0.00 0.00 174.62 175.41 1r76 h PRO 38 N 0.95 0.00 0.01 3.99 0.11 -1.98 -2.17 132.00 132.92 1r76 h PRO 38 Ca -0.47 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1r76 h PRO 38 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1r76 h PRO 38 CO 0.55 0.02 -0.90 0.66 -0.21 0.00 0.00 178.00 178.12 1r76 h SER 39 N 0.00 0.26 0.12 -2.05 4.64 -1.97 0.91 113.55 115.45 1r76 h SER 39 Ca -0.00 -0.21 -0.12 0.00 -0.47 0.00 0.00 61.79 60.98 1r76 h SER 39 Cb 0.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1r76 h SER 39 CO 0.00 1.03 -0.43 0.03 -0.87 0.00 0.00 176.83 176.59 1r76 h ARG 40 N 0.10 0.39 0.00 4.77 2.47 -1.76 -2.93 114.38 117.42 1r76 h ARG 40 Ca -0.05 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.41 1r76 h ARG 40 Cb 1.54 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.86 1r76 h ARG 40 CO 0.14 0.75 -0.87 0.28 0.56 0.00 0.00 179.97 180.83 1r76 h VAL 41 N 0.32 0.28 0.00 2.04 2.07 -1.32 -3.27 116.25 116.36 1r76 h VAL 41 Ca 0.03 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1r76 h VAL 41 Cb 0.89 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1r76 h VAL 41 CO 0.07 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 176.28 1r76 n SER 42 N -2.90 0.43 -1.66 0.57 3.41 0.31 -2.26 113.62 111.54 1r76 n SER 42 Ca -0.02 0.69 -0.04 0.00 -0.26 0.00 0.00 58.87 59.24 1r76 n SER 42 Cb 0.66 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1r76 n SER 42 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r76 n SER 43 N -2.07 5.44 -4.31 4.04 7.64 -1.24 -4.93 113.62 118.19 1r76 n SER 43 Ca -0.01 -2.49 -0.57 0.00 1.01 0.00 0.00 58.87 56.81 1r76 n SER 43 Cb 0.04 -1.19 -0.11 0.00 -1.01 0.00 0.00 64.21 61.94 1r76 n SER 43 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1r76 n LEU 44 N 1.60 1.06 -3.40 -3.43 4.77 -0.96 -4.76 117.00 111.89 1r76 n LEU 44 Ca 0.12 0.58 -0.32 0.00 -0.03 0.00 0.00 56.01 56.36 1r76 n LEU 44 Cb 0.59 -0.99 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1r76 n LEU 44 CO 0.06 -0.76 2.21 -2.65 -1.33 0.00 0.00 177.39 174.91 1r76 n PRO 45 N 7.72 1.75 -2.82 3.23 -0.02 -1.26 -4.34 135.00 139.26 1r76 n PRO 45 Ca 0.52 -1.64 -0.06 0.00 -2.02 0.00 0.00 63.50 60.31 1r76 n PRO 45 Cb 0.03 -2.68 0.01 0.00 -0.02 0.00 0.00 33.50 30.84 1r76 n PRO 45 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1r76 n ASP 46 N 5.88 -7.96 -2.48 2.55 8.00 -1.26 -3.19 116.55 118.10 1r76 n ASP 46 Ca 0.46 0.83 -0.01 0.00 0.71 0.00 0.00 54.79 56.78 1r76 n ASP 46 Cb 0.27 -5.32 -0.00 0.00 -0.02 0.00 0.00 41.12 36.05 1r76 n ASP 46 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1r76 n THR 47 N 0.04 -0.05 -0.00 -3.53 -2.24 -1.26 -4.72 114.28 102.51 1r76 n THR 47 Ca 0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1r76 n THR 47 Cb 0.31 -0.16 -0.14 0.00 -2.10 0.00 0.00 70.33 68.25 1r76 n THR 47 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1r76 n GLN 48 N -2.51 0.75 -1.88 -0.78 0.00 -1.19 -4.37 117.38 107.40 1r76 n GLN 48 Ca -0.01 0.28 -0.34 0.00 -0.00 0.00 0.00 57.00 56.93 1r76 n GLN 48 Cb 0.50 -1.71 0.04 0.00 0.00 0.00 0.00 30.24 29.07 1r76 n GLN 48 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1r76 n ARG 49 N -3.55 2.97 0.00 3.69 1.85 -1.26 -4.30 116.66 116.06 1r76 n ARG 49 Ca -0.32 -3.73 0.15 0.00 -1.00 0.00 0.00 57.85 52.95 1r76 n ARG 49 Cb 1.02 -2.27 0.70 0.00 -1.05 0.00 0.00 32.46 30.86 1r76 n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1r76 n ALA 50 N -0.65 2.62 0.03 2.89 0.00 -1.26 -2.82 120.51 121.32 1r76 n ALA 50 Ca 0.52 -0.20 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 1r76 n ALA 50 Cb 0.52 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 1r76 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r76 h ALA 51 N 3.52 -0.06 -0.28 0.00 0.00 -1.92 -2.94 119.26 117.58 1r76 h ALA 51 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 1r76 h ALA 51 Cb 0.31 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1r76 h ALA 51 CO 0.00 0.32 -0.14 -1.49 0.00 0.00 0.00 179.25 177.95 1r76 h TRP 52 N -0.49 0.51 0.04 0.00 4.06 -1.85 0.14 115.95 118.37 1r76 h TRP 52 Ca -0.12 -0.08 -0.00 0.00 2.06 0.00 0.00 58.89 60.75 1r76 h TRP 52 Cb 1.52 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.55 1r76 h TRP 52 CO 0.21 0.60 -0.02 1.96 -3.56 0.00 0.00 178.44 177.63 1r76 h GLN 53 N 0.44 -0.06 -0.97 0.49 4.20 -1.62 -0.70 115.11 116.89 1r76 h GLN 53 Ca 0.08 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.82 1r76 h GLN 53 Cb 0.50 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 1r76 h GLN 53 CO 0.03 0.08 0.64 0.93 -0.67 0.00 0.00 178.83 179.84 1r76 h GLU 54 N -0.18 1.22 0.17 1.46 5.08 -1.28 -0.35 114.58 120.69 1r76 h GLU 54 Ca -0.01 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1r76 h GLU 54 Cb 0.16 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1r76 h GLU 54 CO 0.01 0.81 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.65 1r76 h TYR 55 N 1.26 -0.68 -0.80 4.33 3.20 -0.23 -1.21 116.97 122.84 1r76 h TYR 55 Ca 0.38 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1r76 h TYR 55 Cb -0.04 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1r76 h TYR 55 CO -0.00 -0.36 0.47 -0.07 -1.64 0.00 0.00 178.16 176.56 1r76 h LEU 56 N -0.49 0.97 -1.40 2.82 3.38 -0.64 -1.15 115.31 118.79 1r76 h LEU 56 Ca 0.02 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1r76 h LEU 56 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1r76 h LEU 56 CO -0.11 0.75 0.44 0.00 0.09 0.00 0.00 178.44 179.61 1r76 h ALA 57 N 1.25 1.66 -0.10 1.53 0.00 -0.67 0.77 119.26 123.70 1r76 h ALA 57 Ca 0.29 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 1r76 h ALA 57 Cb -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1r76 h ALA 57 CO -0.05 0.26 -0.86 0.00 0.00 0.00 0.00 179.25 178.60 1r76 h ARG 58 N 0.77 0.76 -0.19 0.00 3.08 -0.58 -1.34 114.38 116.88 1r76 h ARG 58 Ca 0.27 -0.68 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1r76 h ARG 58 Cb 0.13 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1r76 h ARG 58 CO -0.08 1.28 0.12 1.03 -1.07 0.00 0.00 179.97 181.24 1r76 h SER 59 N 0.48 0.19 -0.67 7.04 0.87 -0.47 0.13 113.55 121.11 1r76 h SER 59 Ca -0.08 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 1r76 h SER 59 Cb 1.50 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.39 1r76 h SER 59 CO 0.17 0.14 0.18 -0.33 -0.53 0.00 0.00 176.83 176.47 1r76 h GLU 60 N 0.24 1.06 0.62 2.24 4.39 -0.90 -1.12 114.58 121.10 1r76 h GLU 60 Ca 0.07 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1r76 h GLU 60 Cb -0.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1r76 h GLU 60 CO -0.03 0.93 -0.33 0.00 -1.16 0.00 0.00 179.01 178.43 1r76 h ALA 61 N 1.08 -0.88 -0.33 3.43 0.00 -0.72 -2.50 119.26 119.34 1r76 h ALA 61 Ca 0.21 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1r76 h ALA 61 Cb 0.33 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1r76 h ALA 61 CO -0.00 -1.00 -0.06 0.37 0.00 0.00 0.00 179.25 178.56 1r76 h GLN 62 N -0.87 0.02 -0.67 0.00 5.75 -0.68 -1.89 115.11 116.77 1r76 h GLN 62 Ca -0.08 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.56 1r76 h GLN 62 Cb 0.69 -0.01 -0.11 0.00 1.07 0.00 0.00 27.48 29.12 1r76 h GLN 62 CO 0.11 0.02 0.06 1.25 -2.65 0.00 0.00 178.83 177.62 1r76 h LEU 63 N 0.02 -0.18 -0.63 -2.39 6.46 -1.06 0.32 115.31 117.85 1r76 h LEU 63 Ca 0.16 0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 58.02 1r76 h LEU 63 Cb 0.24 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1r76 h LEU 63 CO -0.33 -0.09 0.18 0.28 -0.62 0.00 0.00 178.44 177.86 1r76 h SER 64 N 0.17 0.94 -0.93 1.25 0.02 -0.97 -2.02 113.55 112.00 1r76 h SER 64 Ca 0.36 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1r76 h SER 64 Cb 0.60 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1r76 h SER 64 CO -0.53 0.91 0.61 -0.09 -1.14 0.00 0.00 176.83 176.59 1r76 h ARG 65 N 0.92 1.17 0.63 3.45 2.43 -0.07 -0.37 114.38 122.53 1r76 h ARG 65 Ca 0.20 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1r76 h ARG 65 Cb 0.32 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1r76 h ARG 65 CO -0.00 0.77 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.45 1r76 h ASP 66 N 1.20 -0.83 -0.71 -3.80 3.45 0.05 -1.37 116.42 114.41 1r76 h ASP 66 Ca 0.36 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.87 1r76 h ASP 66 Cb -0.04 0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 1r76 h ASP 66 CO -0.11 -0.55 0.46 0.11 -1.57 0.00 0.00 179.24 177.58 1r76 h LYS 67 N -0.90 0.94 -0.41 3.56 1.57 -1.10 -2.57 116.57 117.66 1r76 h LYS 67 Ca -0.08 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 1r76 h LYS 67 Cb 0.71 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1r76 h LYS 67 CO 0.11 0.64 -0.02 0.00 -0.57 0.00 0.00 179.45 179.60 1r76 h ALA 68 N 1.25 1.20 -0.22 3.86 0.00 -1.03 -2.08 119.26 122.24 1r76 h ALA 68 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1r76 h ALA 68 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1r76 h ALA 68 CO -0.05 0.52 0.05 1.03 0.00 0.00 0.00 179.25 180.79 1r76 h SER 69 N 0.63 0.35 -0.39 0.00 0.87 -0.88 0.45 113.55 114.57 1r76 h SER 69 Ca 0.12 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 1r76 h SER 69 Cb 0.42 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1r76 h SER 69 CO 0.02 0.50 0.16 0.25 -0.53 0.00 0.00 176.83 177.23 1r76 h LEU 70 N 0.18 0.55 -1.43 2.23 5.85 -1.40 -2.54 115.31 118.75 1r76 h LEU 70 Ca 0.07 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1r76 h LEU 70 Cb 0.30 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1r76 h LEU 70 CO 0.00 0.57 0.39 0.00 -0.34 0.00 0.00 178.44 179.06 1r76 h ALA 71 N 1.00 1.60 0.00 1.25 0.00 -1.20 -1.48 119.26 120.42 1r76 h ALA 71 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1r76 h ALA 71 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1r76 h ALA 71 CO -0.01 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1r76 h ALA 72 N 1.63 1.00 0.00 0.00 0.00 -0.47 -2.32 119.26 119.11 1r76 h ALA 72 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1r76 h ALA 72 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1r76 h ALA 72 CO -0.05 0.00 -0.44 0.93 0.00 0.00 0.00 179.25 179.69 1r76 h GLU 73 N 0.00 0.00 -6.63 0.00 5.08 -1.16 -3.45 114.58 108.41 1r76 h GLU 73 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1r76 h GLU 73 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1r76 h GLU 73 CO 0.00 0.35 0.07 -0.51 -1.00 0.00 0.00 179.01 177.92 1r76 s LEU 74 N -6.33 4.16 0.23 1.33 1.43 -0.87 -4.38 118.68 114.25 1r76 s LEU 74 Ca 0.04 1.26 -0.04 0.00 -1.03 0.00 0.00 54.13 54.36 1r76 s LEU 74 Cb 0.07 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 1r76 s LEU 74 CO 0.73 -0.12 0.48 0.00 0.23 0.00 0.00 176.35 177.67 1r76 s ALA 75 N -1.83 3.70 -0.06 4.21 0.00 -1.26 -4.99 121.76 121.54 1r76 s ALA 75 Ca 0.50 -0.61 -0.34 0.00 0.00 0.00 0.00 51.96 51.51 1r76 s ALA 75 Cb -0.12 -2.20 -0.12 0.00 0.00 0.00 0.00 23.12 20.68 1r76 s ALA 75 CO 0.19 0.39 1.83 -2.30 0.00 0.00 0.00 175.76 175.87 1r76 n PRO 76 N -0.61 2.15 -0.16 0.00 -0.02 -1.26 -0.58 135.00 134.52 1r76 n PRO 76 Ca -0.02 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1r76 n PRO 76 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1r76 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r76 n GLY 77 N 4.25 2.26 3.68 -1.23 0.00 -1.26 -4.99 105.19 107.89 1r76 n GLY 77 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1r76 n GLY 77 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r76 s GLN 78 N -0.15 4.21 0.52 1.61 0.74 0.25 -4.95 119.66 121.90 1r76 s GLN 78 Ca 0.00 2.21 -0.23 0.00 0.05 0.00 0.00 55.36 57.40 1r76 s GLN 78 Cb 0.00 -3.72 -0.06 0.00 1.10 0.00 0.00 33.01 30.33 1r76 s GLN 78 CO 0.00 -0.74 1.37 -1.25 -0.55 0.00 0.00 175.29 174.12 1r76 s PRO 79 N 3.04 3.29 0.34 1.67 0.04 -1.26 -4.78 135.00 137.34 1r76 s PRO 79 Ca 0.72 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.74 1r76 s PRO 79 Cb -0.36 -2.36 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 1r76 s PRO 79 CO 0.30 -1.08 1.49 -0.51 0.04 0.00 0.00 177.00 177.24 1r76 s LEU 80 N -3.32 4.34 0.76 -3.56 1.43 -1.26 -4.98 118.68 112.09 1r76 s LEU 80 Ca 0.69 2.96 -0.11 0.00 -1.03 0.00 0.00 54.13 56.64 1r76 s LEU 80 Cb -0.41 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.20 1r76 s LEU 80 CO 0.49 -0.84 1.08 -2.84 0.23 0.00 0.00 176.35 174.48 1r76 s PRO 81 N -1.52 2.42 0.85 1.29 0.02 -1.26 -4.98 135.00 131.81 1r76 s PRO 81 Ca 0.56 0.84 -0.13 0.00 0.02 0.00 0.00 61.00 62.29 1r76 s PRO 81 Cb -0.46 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.20 1r76 s PRO 81 CO 0.57 -1.44 1.00 -2.30 -0.33 0.00 0.00 177.00 174.50 1r76 n PRO 82 N -3.34 -0.04 -1.96 5.54 -0.02 -1.26 -4.85 135.00 129.07 1r76 n PRO 82 Ca 0.07 0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 61.25 1r76 n PRO 82 Cb 0.55 -2.27 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1r76 n PRO 82 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1r76 s PRO 83 N -4.03 2.98 1.15 0.52 0.02 -1.26 -4.76 135.00 129.63 1r76 s PRO 83 Ca 0.68 1.91 -0.17 0.00 0.02 0.00 0.00 61.00 63.45 1r76 s PRO 83 Cb -0.27 -1.99 0.26 0.00 0.02 0.00 0.00 34.50 32.52 1r76 s PRO 83 CO 0.56 -1.22 1.08 -1.25 -0.33 0.00 0.00 177.00 175.84 1r76 s PRO 84 N -3.24 -0.83 0.59 5.54 0.04 -1.26 -4.98 135.00 130.86 1r76 s PRO 84 Ca 0.77 0.21 -0.20 0.00 0.04 0.00 0.00 61.00 61.82 1r76 s PRO 84 Cb -0.33 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1r76 s PRO 84 CO 0.36 -3.51 1.26 0.00 0.04 0.00 0.00 177.00 175.15 1r76 s ALA 85 N -2.88 2.59 0.03 8.56 0.00 -1.26 -4.94 121.76 123.86 1r76 s ALA 85 Ca 0.69 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.77 1r76 s ALA 85 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1r76 s ALA 85 CO 0.57 -1.27 -0.03 -1.83 0.00 0.00 0.00 175.76 173.20 1r76 s GLU 86 N -3.20 0.42 0.00 0.00 -1.05 -1.26 -4.49 118.70 109.12 1r76 s GLU 86 Ca 0.76 -0.82 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 1r76 s GLU 86 Cb -0.34 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.46 1r76 s GLU 86 CO 0.38 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.93 1r76 n GLY 87 N 1.11 0.95 3.69 -3.83 0.00 -0.66 -4.78 105.19 101.66 1r76 n GLY 87 Ca -0.21 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.45 1r76 n GLY 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r76 n LYS 88 N 0.00 2.60 -0.06 1.61 5.02 -1.26 -3.34 118.16 122.73 1r76 n LYS 88 Ca 0.00 0.95 -0.08 0.00 -2.02 0.00 0.00 58.31 57.15 1r76 n LYS 88 Cb 0.00 -2.81 -0.03 0.00 -0.02 0.00 0.00 35.03 32.17 1r76 n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r76 n GLY 89 N 4.09 -0.38 0.45 0.72 0.00 -1.26 -4.11 105.19 104.69 1r76 n GLY 89 Ca 0.18 -0.21 0.38 0.00 0.00 0.00 0.00 46.02 46.37 1r76 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r76 n ALA 90 N -4.13 1.29 0.61 4.61 0.00 -1.26 0.12 120.51 121.75 1r76 n ALA 90 Ca -0.14 0.79 0.08 0.00 0.00 0.00 0.00 53.44 54.17 1r76 n ALA 90 Cb 0.42 -0.98 0.36 0.00 0.00 0.00 0.00 19.45 19.25 1r76 n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1r76 n ASP 91 N -4.51 0.00 -0.82 0.00 3.85 -1.26 -1.57 116.55 112.23 1r76 n ASP 91 Ca 0.37 0.39 0.12 0.00 -0.71 0.00 0.00 54.79 54.96 1r76 n ASP 91 Cb 1.47 -0.45 0.09 0.00 -1.35 0.00 0.00 41.12 40.89 1r76 n ASP 91 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1r76 n THR 92 N -1.45 0.00 -3.01 2.12 -2.24 0.32 -4.34 114.28 105.68 1r76 n THR 92 Ca 0.05 -0.43 -0.23 0.00 -2.27 0.00 0.00 64.05 61.17 1r76 n THR 92 Cb 0.17 1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1r76 n THR 92 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1r76 n MET 93 N 0.96 2.34 -1.79 -0.78 2.81 -0.61 -4.69 117.12 115.35 1r76 n MET 93 Ca 0.13 -4.25 -0.42 0.00 -1.81 0.00 0.00 57.70 51.35 1r76 n MET 93 Cb 0.56 -2.01 -0.03 0.00 -0.71 0.00 0.00 33.22 31.03 1r76 n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1r76 s PRO 94 N -3.08 4.15 0.00 0.03 0.04 -1.25 -4.89 135.00 130.00 1r76 s PRO 94 Ca 0.45 2.54 0.21 0.00 0.04 0.00 0.00 61.00 64.24 1r76 s PRO 94 Cb 0.32 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 31.87 1r76 s PRO 94 CO -0.11 -0.70 1.11 1.28 0.04 0.00 0.00 177.00 178.61 1r76 n LEU 95 N 3.75 2.45 -0.26 -3.56 4.77 -1.26 -4.47 117.00 118.42 1r76 n LEU 95 Ca 0.14 -0.91 0.08 0.00 -0.03 0.00 0.00 56.01 55.29 1r76 n LEU 95 Cb 0.36 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.60 1r76 n LEU 95 CO 0.63 0.43 0.59 -0.90 -1.33 0.00 0.00 177.39 176.81 1r76 n ASP 96 N 0.74 2.64 -4.77 -1.43 5.75 -1.26 -5.05 116.55 113.18 1r76 n ASP 96 Ca 0.11 -2.84 -0.29 0.00 -0.01 0.00 0.00 54.79 51.76 1r76 n ASP 96 Cb 0.49 -0.37 0.13 0.00 -1.03 0.00 0.00 41.12 40.34 1r76 n ASP 96 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1r76 s LYS 97 N -2.46 1.31 0.78 0.11 -0.14 -1.26 -5.00 119.74 113.08 1r76 s LYS 97 Ca 0.28 0.48 -0.12 0.00 -1.36 0.00 0.00 55.97 55.26 1r76 s LYS 97 Cb 0.24 -1.84 0.07 0.00 -1.68 0.00 0.00 37.83 34.61 1r76 s LYS 97 CO 0.04 -2.12 1.13 -2.14 -0.76 0.00 0.00 175.35 171.50 1r76 s PRO 98 N -5.16 2.02 0.15 -1.68 0.02 -1.26 -4.92 135.00 124.17 1r76 s PRO 98 Ca 0.63 1.40 -0.24 0.00 0.02 0.00 0.00 61.00 62.81 1r76 s PRO 98 Cb -0.16 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.52 1r76 s PRO 98 CO 0.55 -1.86 1.61 0.00 -0.33 0.00 0.00 177.00 176.97 1r76 h ALA 99 N -0.98 -0.26 -1.02 -1.55 0.00 -2.01 -1.94 119.26 111.50 1r76 h ALA 99 Ca -0.45 0.06 0.29 0.00 0.00 0.00 0.00 54.91 54.81 1r76 h ALA 99 Cb 1.25 0.61 -0.13 0.00 0.00 0.00 0.00 17.79 19.52 1r76 h ALA 99 CO 0.49 -0.75 0.60 0.00 0.00 0.00 0.00 179.25 179.60 1r76 h ALA 100 N 0.61 1.94 -0.52 0.00 0.00 -1.99 0.09 119.26 119.38 1r76 h ALA 100 Ca 0.13 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.28 1r76 h ALA 100 Cb 0.52 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1r76 h ALA 100 CO -0.41 -0.47 0.35 2.35 0.00 0.00 0.00 179.25 181.08 1r76 h TRP 101 N 0.44 0.29 0.00 0.00 7.01 -1.70 -0.78 115.95 121.21 1r76 h TRP 101 Ca 0.68 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.69 1r76 h TRP 101 Cb 1.48 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 28.45 1r76 h TRP 101 CO -0.01 0.14 0.00 0.66 -2.79 0.00 0.00 178.44 176.44 1r76 n TYR 102 N -4.46 0.00 0.11 2.65 4.01 0.02 -2.04 117.16 117.46 1r76 n TYR 102 Ca 0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.85 1r76 n TYR 102 Cb 0.39 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.47 1r76 n TYR 102 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1r76 n THR 103 N -0.67 0.39 -2.22 -0.72 -2.24 -0.30 -4.68 114.28 103.84 1r76 n THR 103 Ca 0.07 -0.69 -0.28 0.00 -2.27 0.00 0.00 64.05 60.87 1r76 n THR 103 Cb 0.03 0.88 0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1r76 n THR 103 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1r76 s SER 104 N -0.68 5.71 0.36 3.42 1.04 -0.86 -4.93 113.70 117.75 1r76 s SER 104 Ca 0.09 0.94 0.07 0.00 0.48 0.00 0.00 55.95 57.53 1r76 s SER 104 Cb 0.05 -1.92 0.68 0.00 0.10 0.00 0.00 66.02 64.93 1r76 s SER 104 CO 0.07 -1.06 1.87 0.11 0.98 0.00 0.00 173.24 175.22 1r76 h LYS 105 N -0.28 0.33 -0.49 4.02 1.79 -1.96 -1.54 116.57 118.44 1r76 h LYS 105 Ca -0.45 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 57.89 1r76 h LYS 105 Cb 1.24 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 1r76 h LYS 105 CO 0.62 0.46 0.15 0.00 -1.08 0.00 0.00 179.45 179.60 1r76 h ALA 106 N 1.56 0.65 -0.10 3.86 0.00 -1.93 -1.17 119.26 122.13 1r76 h ALA 106 Ca 0.06 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1r76 h ALA 106 Cb 0.42 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1r76 h ALA 106 CO 0.02 0.31 -0.72 0.00 0.00 0.00 0.00 179.25 178.86 1r76 h ALA 107 N 1.01 0.56 -0.40 0.00 0.00 -1.68 -2.72 119.26 116.03 1r76 h ALA 107 Ca 0.16 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1r76 h ALA 107 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1r76 h ALA 107 CO -0.00 0.74 -0.04 -0.09 0.00 0.00 0.00 179.25 179.86 1r76 h ARG 108 N 0.33 0.67 -0.22 0.00 9.65 -1.18 -2.20 114.38 121.43 1r76 h ARG 108 Ca -0.03 -0.18 -0.19 0.00 -1.10 0.00 0.00 59.98 58.48 1r76 h ARG 108 Cb 1.30 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1r76 h ARG 108 CO 0.13 0.71 -0.62 1.25 2.80 0.00 0.00 179.97 184.24 1r76 h HIS 109 N 0.63 0.98 -0.63 2.20 2.76 -1.15 -1.77 115.15 118.17 1r76 h HIS 109 Ca 0.12 -0.38 -0.00 0.00 -2.20 0.00 0.00 60.37 57.91 1r76 h HIS 109 Cb 0.45 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1r76 h HIS 109 CO 0.02 1.19 0.38 0.28 -1.30 0.00 0.00 177.93 178.50 1r76 h VAL 110 N 0.57 1.18 -0.28 5.26 2.07 -1.24 0.46 116.25 124.26 1r76 h VAL 110 Ca -0.01 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1r76 h VAL 110 Cb 1.22 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1r76 h VAL 110 CO 0.13 0.18 0.03 0.00 0.02 0.00 0.00 177.57 177.93 1r76 h ALA 111 N 1.56 0.37 -0.53 1.67 0.00 -1.18 -0.38 119.26 120.76 1r76 h ALA 111 Ca 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r76 h ALA 111 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1r76 h ALA 111 CO -0.04 0.07 0.33 -0.44 0.00 0.00 0.00 179.25 179.17 1r76 h ASP 112 N 0.27 0.63 -0.32 0.00 3.45 -0.59 0.21 116.42 120.07 1r76 h ASP 112 Ca 0.08 -0.05 0.01 0.00 0.43 0.00 0.00 57.03 57.51 1r76 h ASP 112 Cb 0.37 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1r76 h ASP 112 CO 0.01 0.49 0.20 0.58 -1.57 0.00 0.00 179.24 178.94 1r76 h VAL 113 N 0.71 1.05 0.05 -1.35 2.07 -0.77 -0.77 116.25 117.25 1r76 h VAL 113 Ca 0.19 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1r76 h VAL 113 Cb -0.03 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1r76 h VAL 113 CO -0.04 0.07 -0.15 0.40 0.02 0.00 0.00 177.57 177.88 1r76 h ILE 114 N 0.40 0.65 -0.70 4.57 2.04 -0.49 -2.33 117.51 121.66 1r76 h ILE 114 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 1r76 h ILE 114 Cb -0.01 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1r76 h ILE 114 CO -0.05 0.00 0.46 0.58 0.00 0.00 0.00 178.15 179.14 1r76 h VAL 115 N -0.27 1.00 0.00 1.67 2.07 -0.28 -2.34 116.25 118.10 1r76 h VAL 115 Ca 0.03 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1r76 h VAL 115 Cb 0.31 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1r76 h VAL 115 CO -0.11 0.13 -0.01 0.77 0.02 0.00 0.00 177.57 178.37 1r76 h SER 116 N 0.70 0.00 -0.21 0.57 4.64 -0.63 -3.26 113.55 115.36 1r76 h SER 116 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1r76 h SER 116 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1r76 h SER 116 CO -0.10 0.01 0.00 0.49 -0.87 0.00 0.00 176.83 176.36 1r76 n PHE 117 N -3.10 0.26 -2.24 4.77 3.72 -0.89 -4.54 117.46 115.42 1r76 n PHE 117 Ca 0.02 -0.15 -0.41 0.00 -0.05 0.00 0.00 57.45 56.86 1r76 n PHE 117 Cb 0.42 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1r76 n PHE 117 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1r76 s GLN 118 N -1.46 4.43 0.57 -1.08 0.74 -1.14 -4.76 119.66 116.96 1r76 s GLN 118 Ca 0.29 2.05 -0.14 0.00 0.05 0.00 0.00 55.36 57.61 1r76 s GLN 118 Cb 0.18 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 31.09 1r76 s GLN 118 CO 0.26 -0.13 1.02 0.95 -0.55 0.00 0.00 175.29 176.84 1r76 s THR 119 N -0.58 4.42 0.54 -0.34 -4.23 0.44 -4.88 115.64 111.00 1r76 s THR 119 Ca 0.51 1.02 0.36 0.00 -1.18 0.00 0.00 61.69 62.40 1r76 s THR 119 Cb -0.36 -3.68 0.55 0.00 1.34 0.00 0.00 72.50 70.35 1r76 s THR 119 CO 0.44 -0.80 1.81 -0.65 -0.54 0.00 0.00 174.62 174.88 1r76 h PRO 120 N 0.35 0.00 0.00 3.99 0.11 -1.90 0.84 132.00 135.39 1r76 h PRO 120 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1r76 h PRO 120 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1r76 h PRO 120 CO 0.60 0.00 -0.52 0.00 -0.21 0.00 0.00 178.00 177.88 1r76 h ALA 121 N 1.41 1.04 0.00 -0.75 0.00 -1.91 -3.47 119.26 115.58 1r76 h ALA 121 Ca 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r76 h ALA 121 Cb 2.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1r76 h ALA 121 CO -0.01 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1r76 n GLY 122 N 0.14 1.03 1.20 0.00 0.00 0.29 -4.45 105.19 103.40 1r76 n GLY 122 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1r76 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r76 n GLY 123 N -0.52 2.26 3.11 -0.02 0.00 -1.25 -3.56 105.19 105.21 1r76 n GLY 123 Ca 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.77 1r76 n GLY 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r76 s TRP 124 N -0.34 0.41 0.68 1.61 0.51 -1.26 -0.42 118.94 120.13 1r76 s TRP 124 Ca 0.16 -0.91 0.01 0.00 -2.12 0.00 0.00 56.10 53.24 1r76 s TRP 124 Cb -0.01 -0.30 0.11 0.00 -0.81 0.00 0.00 33.47 32.46 1r76 s TRP 124 CO 0.10 -0.40 0.93 0.20 -0.51 0.00 0.00 176.95 177.28 1r76 s GLY 125 N -2.76 1.77 0.50 0.98 0.00 -1.26 -1.95 107.32 104.60 1r76 s GLY 125 Ca 0.04 -1.74 0.08 0.00 0.00 0.00 0.00 44.72 43.10 1r76 s GLY 125 CO -0.09 -1.23 0.54 -1.59 0.00 0.00 0.00 173.10 170.73 1r76 s LYS 126 N -5.02 2.45 -1.39 2.90 -2.85 -1.26 -4.62 119.74 109.95 1r76 s LYS 126 Ca 0.64 -1.64 -0.03 0.00 -1.00 0.00 0.00 55.97 53.95 1r76 s LYS 126 Cb -0.06 -2.46 0.02 0.00 -2.06 0.00 0.00 37.83 33.27 1r76 s LYS 126 CO 0.43 -0.51 0.66 0.09 0.10 0.00 0.00 175.35 176.12 1r76 n ASN 127 N -1.86 -1.54 -3.77 0.03 5.03 -1.26 -4.94 115.26 106.94 1r76 n ASN 127 Ca 0.07 -0.88 -0.28 0.00 0.87 0.00 0.00 54.58 54.36 1r76 n ASN 127 Cb 0.62 -3.69 -0.16 0.00 -1.02 0.00 0.00 39.78 35.53 1r76 n ASN 127 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1r76 s GLN 128 N -6.28 0.82 0.32 3.52 -0.21 -1.21 -1.66 119.66 114.96 1r76 s GLN 128 Ca 0.13 -0.54 -0.29 0.00 0.02 0.00 0.00 55.36 54.68 1r76 s GLN 128 Cb -0.07 -2.19 -0.11 0.00 1.00 0.00 0.00 33.01 31.64 1r76 s GLN 128 CO 0.84 -0.65 1.51 -2.14 -2.12 0.00 0.00 175.29 172.74 1r76 s PRO 129 N 1.77 4.16 -0.18 2.91 0.02 -1.26 -4.55 135.00 137.86 1r76 s PRO 129 Ca -0.01 2.51 0.17 0.00 0.02 0.00 0.00 61.00 63.68 1r76 s PRO 129 Cb -0.17 -3.02 0.55 0.00 0.02 0.00 0.00 34.50 31.88 1r76 s PRO 129 CO -0.08 -0.53 1.44 0.54 -0.33 0.00 0.00 177.00 178.04 1r76 n ARG 130 N 1.48 3.04 -0.15 5.54 5.12 -1.26 -4.43 116.66 126.01 1r76 n ARG 130 Ca 0.05 -2.87 0.09 0.00 -1.93 0.00 0.00 57.85 53.19 1r76 n ARG 130 Cb 0.39 -1.87 0.16 0.00 -1.16 0.00 0.00 32.46 29.98 1r76 n ARG 130 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1r76 n ASP 131 N -0.44 3.00 0.00 0.55 5.75 -1.26 -4.25 116.55 119.90 1r76 n ASP 131 Ca 0.22 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1r76 n ASP 131 Cb 0.91 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 1r76 n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r76 n GLY 132 N 1.07 0.84 3.83 6.12 0.00 -1.26 -4.97 105.19 110.82 1r76 n GLY 132 Ca 0.15 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1r76 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r76 s ALA 133 N -2.96 2.76 0.47 4.61 0.00 -1.26 -4.95 121.76 120.43 1r76 s ALA 133 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 1r76 s ALA 133 Cb 0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 1r76 s ALA 133 CO 0.00 -1.12 0.86 -0.51 0.00 0.00 0.00 175.76 174.98 1r76 s LEU 134 N -5.46 3.69 0.20 0.00 1.43 -1.26 -4.88 118.68 112.39 1r76 s LEU 134 Ca 0.57 1.25 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 1r76 s LEU 134 Cb -0.13 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 41.82 1r76 s LEU 134 CO 0.54 -0.52 1.40 -0.60 0.23 0.00 0.00 176.35 177.40 1r76 s ARG 135 N -4.16 4.31 0.57 1.70 3.52 -1.26 -5.00 118.95 118.63 1r76 s ARG 135 Ca 0.53 2.18 -0.12 0.00 -0.13 0.00 0.00 55.73 58.19 1r76 s ARG 135 Cb -0.10 -3.17 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 1r76 s ARG 135 CO 0.35 -0.38 0.99 -0.51 -0.81 0.00 0.00 175.30 174.94 1r76 s LEU 136 N 0.12 3.39 0.22 -0.88 2.01 -1.26 -4.97 118.68 117.31 1r76 s LEU 136 Ca 0.60 1.42 -0.31 0.00 0.01 0.00 0.00 54.13 55.86 1r76 s LEU 136 Cb -0.39 -4.43 -0.10 0.00 0.01 0.00 0.00 46.19 41.28 1r76 s LEU 136 CO 0.38 -0.75 1.51 -2.84 1.01 0.00 0.00 176.35 175.65 1r76 s PRO 137 N -4.78 4.23 0.00 1.29 0.02 -1.26 -1.51 135.00 132.98 1r76 s PRO 137 Ca 0.56 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1r76 s PRO 137 Cb -0.11 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1r76 s PRO 137 CO 0.46 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 1r76 n GLY 138 N 2.77 2.00 3.76 0.52 0.00 -1.26 -4.78 105.19 108.19 1r76 n GLY 138 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1r76 n GLY 138 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1r76 s GLN 139 N -0.20 4.68 0.58 1.61 0.74 -0.57 -4.59 119.66 121.91 1r76 s GLN 139 Ca 0.00 1.29 -0.19 0.00 0.05 0.00 0.00 55.36 56.51 1r76 s GLN 139 Cb 0.00 -3.28 -0.06 0.00 1.10 0.00 0.00 33.01 30.77 1r76 s GLN 139 CO 0.00 0.53 0.91 1.58 -0.55 0.00 0.00 175.29 177.75 1r76 n HIS 140 N 1.66 0.64 0.08 1.67 -0.00 -1.26 -4.81 115.22 113.19 1r76 n HIS 140 Ca -0.04 0.45 -0.10 0.00 -0.00 0.00 0.00 57.72 58.02 1r76 n HIS 140 Cb 0.48 -2.12 -0.02 0.00 -0.00 0.00 0.00 29.99 28.33 1r76 n HIS 140 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.34 178.22 1r76 h TYR 141 N 0.54 0.43 0.00 1.57 0.05 -1.95 -3.43 116.97 114.18 1r76 h TYR 141 Ca -0.48 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.07 1r76 h TYR 141 Cb 1.37 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.06 1r76 h TYR 141 CO 0.37 1.04 -0.90 0.25 -1.05 0.00 0.00 178.16 177.86 1r76 n THR 142 N -3.71 0.00 0.00 -2.88 -2.24 -1.26 -4.67 114.28 99.52 1r76 n THR 142 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1r76 n THR 142 Cb 0.80 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1r76 n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r76 n GLY 143 N 3.00 3.00 3.65 3.38 0.00 -1.26 -4.80 105.19 112.15 1r76 n GLY 143 Ca 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 1r76 n GLY 143 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r76 s GLU 144 N -1.90 1.36 0.59 1.61 -1.05 -1.26 -4.81 118.70 113.25 1r76 s GLU 144 Ca 0.00 -0.66 -0.16 0.00 -0.15 0.00 0.00 54.97 54.00 1r76 s GLU 144 Cb 0.00 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.18 1r76 s GLU 144 CO 0.00 -0.61 1.07 -0.80 0.95 0.00 0.00 175.26 175.86 1r76 s ASN 145 N -2.80 5.73 0.11 0.83 0.01 -1.26 -4.75 114.94 112.81 1r76 s ASN 145 Ca 0.07 1.86 -0.31 0.00 -0.71 0.00 0.00 52.86 53.78 1r76 s ASN 145 Cb -0.03 -2.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.01 1r76 s ASN 145 CO -0.03 -1.20 1.49 -0.69 -1.51 0.00 0.00 177.10 175.16 1r76 s VAL 146 N -2.38 3.11 -1.21 1.60 1.01 -1.26 -4.87 120.40 116.41 1r76 s VAL 146 Ca 0.65 0.73 -0.20 0.00 0.00 0.00 0.00 61.98 63.16 1r76 s VAL 146 Cb -0.17 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1r76 s VAL 146 CO 0.36 0.04 1.90 0.00 0.00 0.00 0.00 175.10 177.40 1r76 n ALA 147 N 4.42 3.21 -1.26 5.51 0.00 -1.26 -4.94 120.51 126.17 1r76 n ALA 147 Ca 0.13 -3.50 -0.35 0.00 0.00 0.00 0.00 53.44 49.72 1r76 n ALA 147 Cb 0.41 -3.56 0.10 0.00 0.00 0.00 0.00 19.45 16.40 1r76 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1r76 n LYS 148 N 7.84 0.38 -4.93 0.00 5.02 -1.26 -5.01 118.16 120.20 1r76 n LYS 148 Ca 0.48 0.19 -0.28 0.00 -2.02 0.00 0.00 58.31 56.68 1r76 n LYS 148 Cb 0.44 -2.23 -0.16 0.00 -0.02 0.00 0.00 35.03 33.06 1r76 n LYS 148 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r76 s VAL 149 N -1.92 1.60 -0.80 -0.18 1.01 -1.26 -5.28 120.40 113.56 1r76 s VAL 149 Ca 0.72 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1r76 s VAL 149 Cb -0.33 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1r76 s VAL 149 CO 0.52 0.46 0.68 1.17 0.00 0.00 0.00 175.10 177.92 1r76 n LYS 150 N 3.36 -4.54 -3.25 2.72 4.81 -1.26 -5.34 118.16 114.66 1r76 n LYS 150 Ca -0.19 0.54 -0.46 0.00 -0.87 0.00 0.00 58.31 57.33 1r76 n LYS 150 Cb 0.53 -4.65 -0.04 0.00 0.02 0.00 0.00 35.03 30.88 1r76 n LYS 150 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1r76 s ARG 160 N -5.21 3.16 -0.78 1.64 6.06 -1.26 -5.34 118.95 117.22 1r76 s ARG 160 Ca 0.13 -1.78 -0.03 0.00 -2.50 0.00 0.00 55.73 51.55 1r76 s ARG 160 Cb -0.06 -4.34 0.20 0.00 0.06 0.00 0.00 34.95 30.80 1r76 s ARG 160 CO 0.47 -1.39 0.64 0.34 -2.50 0.00 0.00 175.30 172.85 1r76 s ASP 161 N 3.30 5.74 0.21 -2.12 3.68 -1.26 -5.08 116.67 121.15 1r76 s ASP 161 Ca 0.09 -3.29 0.00 0.00 2.13 0.00 0.00 52.55 51.49 1r76 s ASP 161 Cb -0.23 -1.91 -0.04 0.00 -1.45 0.00 0.00 42.92 39.29 1r76 s ASP 161 CO 0.01 -0.29 0.39 -0.13 0.13 0.00 0.00 175.17 175.28 1r76 s ARG 162 N -0.71 3.50 0.54 4.34 0.52 -1.26 -5.06 118.95 120.82 1r76 s ARG 162 Ca 0.22 -0.42 -0.21 0.00 -0.52 0.00 0.00 55.73 54.80 1r76 s ARG 162 Cb -0.13 -2.84 -0.06 0.00 0.52 0.00 0.00 34.95 32.44 1r76 s ARG 162 CO -0.08 0.39 1.18 -0.25 0.02 0.00 0.00 175.30 176.56 1r76 n ASP 163 N -0.85 1.87 -3.08 0.23 8.00 -1.26 -4.98 116.55 116.48 1r76 n ASP 163 Ca -0.05 0.94 -0.19 0.00 0.71 0.00 0.00 54.79 56.20 1r76 n ASP 163 Cb 0.54 -1.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.12 1r76 n ASP 163 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1r76 n TRP 164 N -1.13 -1.53 -4.94 1.24 -0.00 -1.26 -4.98 117.44 104.83 1r76 n TRP 164 Ca 0.11 -2.86 -0.28 0.00 -0.00 0.00 0.00 57.50 54.47 1r76 n TRP 164 Cb 0.44 0.41 -0.16 0.00 -0.00 0.00 0.00 31.31 32.00 1r76 n TRP 164 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 1r76 s HIS 165 N -0.30 1.95 -1.46 5.87 3.76 -1.26 -4.73 115.29 119.12 1r76 s HIS 165 Ca 0.33 -0.64 -0.08 0.00 -0.15 0.00 0.00 55.06 54.52 1r76 s HIS 165 Cb 0.14 -1.32 0.04 0.00 1.11 0.00 0.00 32.58 32.55 1r76 s HIS 165 CO -0.15 -0.24 0.75 0.66 -0.85 0.00 0.00 174.74 174.91 1r76 n TYR 166 N 3.29 -2.15 -1.97 1.40 4.02 -1.26 -4.85 117.16 115.65 1r76 n TYR 166 Ca -0.19 0.67 -0.41 0.00 -0.01 0.00 0.00 57.90 57.96 1r76 n TYR 166 Cb 0.53 -4.11 -0.00 0.00 -0.02 0.00 0.00 39.34 35.73 1r76 n TYR 166 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1r76 n VAL 167 N -4.50 4.59 0.00 -0.72 0.31 -1.26 -4.08 118.33 112.67 1r76 n VAL 167 Ca -0.04 -3.93 0.00 0.00 -0.01 0.00 0.00 64.34 60.37 1r76 n VAL 167 Cb 0.57 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1r76 n VAL 167 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r76 n GLY 168 N 2.65 1.21 3.23 2.92 0.00 -1.25 -4.58 105.19 109.38 1r76 n GLY 168 Ca 0.56 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1r76 n GLY 168 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r76 s THR 169 N 0.00 0.78 -0.12 2.61 -1.32 -0.82 -0.46 115.64 116.30 1r76 s THR 169 Ca 0.00 -1.98 0.18 0.00 -1.21 0.00 0.00 61.69 58.68 1r76 s THR 169 Cb 0.00 -1.97 0.28 0.00 -1.51 0.00 0.00 72.50 69.30 1r76 s THR 169 CO 0.00 -0.62 1.14 2.30 -2.21 0.00 0.00 174.62 175.23 1r76 n ILE 170 N -0.19 1.84 -2.90 5.08 -5.35 -0.83 -3.80 119.36 113.20 1r76 n ILE 170 Ca -0.09 -2.20 -0.30 0.00 -0.27 0.00 0.00 62.75 59.90 1r76 n ILE 170 Cb 0.62 -0.20 -0.03 0.00 -1.74 0.00 0.00 39.64 38.29 1r76 n ILE 170 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1r76 s ASP 171 N -2.79 6.49 -1.33 7.28 2.15 -1.26 -3.94 116.67 123.27 1r76 s ASP 171 Ca 0.30 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.35 1r76 s ASP 171 Cb 0.27 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 1r76 s ASP 171 CO 0.03 -0.39 0.00 0.59 -0.17 0.00 0.00 175.17 175.23 1r76 n ASN 172 N -1.32 -4.43 -0.17 -0.34 4.13 -1.26 -1.20 115.26 110.66 1r76 n ASN 172 Ca 0.02 0.17 -0.02 0.00 1.68 0.00 0.00 54.58 56.42 1r76 n ASN 172 Cb 0.54 -3.78 -0.01 0.00 -1.54 0.00 0.00 39.78 34.99 1r76 n ASN 172 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1r76 n ASP 173 N -1.69 -3.61 -4.70 6.41 10.43 -1.25 -4.80 116.55 117.34 1r76 n ASP 173 Ca -0.17 0.05 -0.31 0.00 2.57 0.00 0.00 54.79 56.93 1r76 n ASP 173 Cb 0.61 -1.31 0.14 0.00 1.84 0.00 0.00 41.12 42.41 1r76 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1r76 s ALA 174 N -1.97 1.66 0.00 2.24 0.00 -0.34 -2.37 121.76 120.98 1r76 s ALA 174 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1r76 s ALA 174 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1r76 s ALA 174 CO 0.00 -2.43 0.00 2.41 0.00 0.00 0.00 175.76 175.74 1r76 n THR 175 N -3.99 0.00 -0.17 0.00 -1.04 -1.25 -4.19 114.28 103.64 1r76 n THR 175 Ca 0.10 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.04 1r76 n THR 175 Cb 0.53 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.06 1r76 n THR 175 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1r76 h VAL 176 N 0.00 1.14 -0.21 12.58 2.07 -1.88 -2.35 116.25 127.59 1r76 h VAL 176 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1r76 h VAL 176 Cb 0.00 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1r76 h VAL 176 CO 0.00 0.14 0.08 0.74 0.02 0.00 0.00 177.57 178.55 1r76 h THR 177 N 0.68 1.18 -0.96 2.57 2.02 -1.64 -2.39 112.91 114.37 1r76 h THR 177 Ca 0.18 -0.54 0.12 0.00 0.77 0.00 0.00 66.41 66.94 1r76 h THR 177 Cb -0.05 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 67.42 1r76 h THR 177 CO -0.04 0.17 0.61 -0.33 0.37 0.00 0.00 175.52 176.31 1r76 h GLU 178 N 0.19 0.88 -0.25 6.66 3.07 -1.78 -0.58 114.58 122.76 1r76 h GLU 178 Ca 0.07 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.72 1r76 h GLU 178 Cb 0.20 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1r76 h GLU 178 CO -0.00 0.58 -0.50 0.82 -1.40 0.00 0.00 179.01 178.51 1r76 h ILE 179 N 0.91 1.30 -0.38 3.13 2.04 -1.27 -1.39 117.51 121.84 1r76 h ILE 179 Ca 0.47 -1.71 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 1r76 h ILE 179 Cb 0.53 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1r76 h ILE 179 CO -0.24 0.54 -0.15 0.03 0.00 0.00 0.00 178.15 178.34 1r76 h ARG 180 N 0.55 0.77 -0.12 2.37 3.08 -0.80 -1.94 114.38 118.29 1r76 h ARG 180 Ca 0.02 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1r76 h ARG 180 Cb 1.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1r76 h ARG 180 CO 0.10 0.94 0.04 0.35 -1.07 0.00 0.00 179.97 180.33 1r76 h PHE 181 N 0.58 0.19 -0.59 3.04 3.57 -1.10 -1.38 116.94 121.23 1r76 h PHE 181 Ca 0.09 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.69 1r76 h PHE 181 Cb 0.69 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 1r76 h PHE 181 CO 0.06 0.31 0.07 1.25 -2.23 0.00 0.00 178.31 177.76 1r76 h LEU 182 N 0.02 -0.12 -1.27 0.59 5.85 -1.22 -0.95 115.31 118.21 1r76 h LEU 182 Ca 0.04 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1r76 h LEU 182 Cb 0.20 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1r76 h LEU 182 CO -0.00 -0.05 -0.20 0.00 -0.34 0.00 0.00 178.44 177.85 1r76 h ALA 183 N 1.51 1.40 -0.02 1.25 0.00 -0.92 -1.44 119.26 121.03 1r76 h ALA 183 Ca 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r76 h ALA 183 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1r76 h ALA 183 CO -0.45 0.42 -0.00 1.96 0.00 0.00 0.00 179.25 181.18 1r76 h GLN 184 N 0.23 0.03 -0.13 0.00 1.08 -0.09 -1.96 115.11 114.26 1r76 h GLN 184 Ca 0.04 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.27 1r76 h GLN 184 Cb 0.49 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 1r76 h GLN 184 CO 0.03 0.34 -0.09 0.28 -0.95 0.00 0.00 178.83 178.45 1r76 h VAL 185 N -0.29 0.73 -0.21 -0.54 2.07 -1.18 -2.66 116.25 114.17 1r76 h VAL 185 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1r76 h VAL 185 Cb 0.33 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1r76 h VAL 185 CO 0.00 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.85 1r76 h VAL 186 N -0.09 0.27 0.00 2.57 2.07 -1.23 -1.41 116.25 118.42 1r76 h VAL 186 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1r76 h VAL 186 Cb 0.21 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1r76 h VAL 186 CO -0.19 0.00 0.15 -1.54 0.02 0.00 0.00 177.57 176.01 1r76 n SER 187 N -5.41 0.40 -0.36 0.57 3.41 -0.74 -1.43 113.62 110.05 1r76 n SER 187 Ca -0.02 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.26 1r76 n SER 187 Cb 0.33 -0.63 0.06 0.00 -0.26 0.00 0.00 64.21 63.70 1r76 n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r76 n GLN 188 N -2.07 0.97 -3.92 4.33 1.13 -0.56 -5.02 117.38 112.24 1r76 n GLN 188 Ca -0.01 -1.26 -0.25 0.00 -1.94 0.00 0.00 57.00 53.54 1r76 n GLN 188 Cb 0.17 -1.17 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 1r76 n GLN 188 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1r76 s LEU 189 N -0.77 2.98 0.20 1.08 1.43 -0.52 -4.83 118.68 118.25 1r76 s LEU 189 Ca 0.12 -1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 51.82 1r76 s LEU 189 Cb 0.07 -1.45 -0.08 0.00 0.03 0.00 0.00 46.19 44.76 1r76 s LEU 189 CO 0.10 -0.81 1.00 0.00 0.23 0.00 0.00 176.35 176.87 1r76 s ALA 190 N -2.65 3.33 0.30 4.21 0.00 -1.26 -4.94 121.76 120.75 1r76 s ALA 190 Ca 0.38 0.68 0.06 0.00 0.00 0.00 0.00 51.96 53.09 1r76 s ALA 190 Cb -0.00 -3.27 0.79 0.00 0.00 0.00 0.00 23.12 20.63 1r76 s ALA 190 CO 0.22 0.01 1.73 -1.35 0.00 0.00 0.00 175.76 176.37 1r76 h PRO 191 N 4.71 0.54 0.00 0.00 0.11 -1.98 0.23 132.00 135.61 1r76 h PRO 191 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1r76 h PRO 191 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1r76 h PRO 191 CO 0.70 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 178.00 1r76 n GLU 192 N -4.92 0.05 -0.15 1.05 0.00 -1.26 -2.91 120.64 112.51 1r76 n GLU 192 Ca 0.24 0.27 0.04 0.00 0.00 0.00 0.00 57.16 57.72 1r76 n GLU 192 Cb 0.67 -1.60 0.12 0.00 0.00 0.00 0.00 31.44 30.63 1r76 n GLU 192 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1r76 n GLU 193 N -1.70 2.89 -0.64 3.44 0.28 0.80 -4.66 120.64 121.04 1r76 n GLU 193 Ca 0.03 -1.96 0.06 0.00 -0.16 0.00 0.00 57.16 55.13 1r76 n GLU 193 Cb 0.20 -1.23 0.12 0.00 1.43 0.00 0.00 31.44 31.96 1r76 n GLU 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r76 n ALA 194 N 0.24 2.78 -0.08 -1.84 0.00 -1.09 -4.86 120.51 115.65 1r76 n ALA 194 Ca 0.09 -2.59 -0.10 0.00 0.00 0.00 0.00 53.44 50.85 1r76 n ALA 194 Cb 0.41 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1r76 n ALA 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r76 h ALA 195 N 0.60 0.35 -0.52 0.00 0.00 -1.83 -2.20 119.26 115.64 1r76 h ALA 195 Ca -0.05 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1r76 h ALA 195 Cb 1.25 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1r76 h ALA 195 CO 0.02 -0.04 0.28 -1.35 0.00 0.00 0.00 179.25 178.17 1r76 h PRO 196 N 0.27 0.53 -0.51 0.00 0.11 -1.97 0.21 132.00 130.64 1r76 h PRO 196 Ca 0.09 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 1r76 h PRO 196 Cb 0.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 1r76 h PRO 196 CO -0.00 0.35 -0.06 1.88 -0.21 0.00 0.00 178.00 179.96 1r76 h TYR 197 N 0.54 0.98 -0.20 0.65 0.05 -1.93 -0.44 116.97 116.63 1r76 h TYR 197 Ca 0.23 -0.17 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1r76 h TYR 197 Cb 0.11 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 1r76 h TYR 197 CO -0.09 0.91 -0.05 0.00 -1.05 0.00 0.00 178.16 177.88 1r76 h ARG 198 N 0.82 0.39 -0.99 4.88 3.08 -0.96 -0.97 114.38 120.63 1r76 h ARG 198 Ca 0.14 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1r76 h ARG 198 Cb 0.56 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 1r76 h ARG 198 CO 0.03 0.65 0.65 -0.44 -1.07 0.00 0.00 179.97 179.79 1r76 h ASP 199 N 0.11 1.11 0.58 7.04 3.32 -0.34 0.21 116.42 128.44 1r76 h ASP 199 Ca 0.05 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1r76 h ASP 199 Cb 0.51 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1r76 h ASP 199 CO 0.02 0.79 -0.54 0.00 -1.72 0.00 0.00 179.24 177.78 1r76 h ALA 200 N 1.38 1.07 -0.18 3.45 0.00 -1.02 -1.49 119.26 122.47 1r76 h ALA 200 Ca 0.37 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1r76 h ALA 200 Cb -0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1r76 h ALA 200 CO -0.10 0.68 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 1r76 h ALA 201 N 1.46 0.26 -0.43 0.00 0.00 0.32 -1.27 119.26 119.60 1r76 h ALA 201 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1r76 h ALA 201 Cb 0.98 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1r76 h ALA 201 CO 0.07 0.12 0.03 -0.07 0.00 0.00 0.00 179.25 179.39 1r76 h LEU 202 N 0.07 0.64 -0.54 0.00 4.07 -0.52 -0.80 115.31 118.23 1r76 h LEU 202 Ca 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.82 1r76 h LEU 202 Cb 0.63 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1r76 h LEU 202 CO 0.03 0.69 0.18 0.11 -1.08 0.00 0.00 178.44 178.37 1r76 h LYS 203 N 0.64 0.84 -0.91 1.13 1.57 -1.16 0.29 116.57 118.98 1r76 h LYS 203 Ca 0.14 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1r76 h LYS 203 Cb 0.36 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1r76 h LYS 203 CO 0.01 0.76 0.57 0.78 -0.57 0.00 0.00 179.45 181.00 1r76 h GLY 204 N 0.75 1.30 1.67 3.86 0.00 -0.52 0.18 103.07 110.32 1r76 h GLY 204 Ca 0.18 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1r76 h GLY 204 CO -0.01 0.51 -0.56 -2.22 0.00 0.00 0.00 176.54 174.26 1r76 h ILE 205 N 1.24 1.35 -0.09 2.60 2.04 -0.73 -2.14 117.51 121.80 1r76 h ILE 205 Ca 0.33 -1.85 -0.11 0.00 1.00 0.00 0.00 64.86 64.22 1r76 h ILE 205 Cb -0.08 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1r76 h ILE 205 CO -0.06 0.56 -0.45 -0.33 0.00 0.00 0.00 178.15 177.86 1r76 h GLU 206 N 0.26 0.20 0.35 2.37 4.39 -0.05 -1.96 114.58 120.15 1r76 h GLU 206 Ca 0.00 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1r76 h GLU 206 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1r76 h GLU 206 CO 0.09 0.62 -0.17 -0.92 -1.16 0.00 0.00 179.01 177.48 1r76 h TYR 207 N 0.17 -0.43 0.00 4.33 3.20 -0.35 -1.06 116.97 122.83 1r76 h TYR 207 Ca 0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1r76 h TYR 207 Cb 0.87 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1r76 h TYR 207 CO 0.01 -0.17 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.23 1r76 h LEU 208 N -0.64 0.00 -0.13 2.82 3.38 -1.28 -1.51 115.31 117.94 1r76 h LEU 208 Ca -0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 1r76 h LEU 208 Cb 0.46 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1r76 h LEU 208 CO 0.08 0.06 -0.95 -0.07 0.09 0.00 0.00 178.44 177.65 1r76 h LEU 209 N 0.00 0.68 -0.37 1.67 3.38 -1.08 -3.20 115.31 116.39 1r76 h LEU 209 Ca -0.00 -0.53 -0.19 0.00 0.09 0.00 0.00 57.88 57.25 1r76 h LEU 209 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1r76 h LEU 209 CO 0.01 1.33 -0.75 0.00 0.09 0.00 0.00 178.44 179.12 1r76 h ALA 210 N 0.63 0.56 0.00 1.53 0.00 -0.63 -3.23 119.26 118.12 1r76 h ALA 210 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1r76 h ALA 210 Cb 1.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1r76 h ALA 210 CO 0.17 0.76 0.00 -1.13 0.00 0.00 0.00 179.25 179.05 1r76 n SER 211 N -3.84 0.47 -4.74 0.00 3.41 -0.62 -4.84 113.62 103.46 1r76 n SER 211 Ca -0.05 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 1r76 n SER 211 Cb 0.72 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 1r76 n SER 211 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1r76 s GLN 212 N -3.09 4.25 0.86 4.33 0.74 -1.21 -4.51 119.66 121.04 1r76 s GLN 212 Ca 0.10 2.32 -0.10 0.00 0.05 0.00 0.00 55.36 57.73 1r76 s GLN 212 Cb 0.14 -3.12 0.11 0.00 1.10 0.00 0.00 33.01 31.24 1r76 s GLN 212 CO 0.52 -0.47 1.13 -0.06 -0.55 0.00 0.00 175.29 175.86 1r76 s PHE 213 N 0.26 1.97 0.62 1.67 2.99 0.81 -4.87 117.98 121.43 1r76 s PHE 213 Ca 0.62 1.70 0.35 0.00 0.00 0.00 0.00 56.93 59.60 1r76 s PHE 213 Cb -0.42 -3.23 2.04 0.00 0.00 0.00 0.00 43.02 41.41 1r76 s PHE 213 CO 0.41 -2.45 2.30 -1.35 -0.00 0.00 0.00 175.22 174.13 1r76 h PRO 214 N -1.61 0.00 -0.55 0.24 0.11 -1.92 -0.22 132.00 128.06 1r76 h PRO 214 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1r76 h PRO 214 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1r76 h PRO 214 CO 0.45 0.00 0.02 0.27 -0.21 0.00 0.00 178.00 178.53 1r76 n ASN 215 N -3.57 5.44 0.00 -2.05 6.94 -1.26 -4.94 115.26 115.82 1r76 n ASN 215 Ca -0.03 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.55 1r76 n ASN 215 Cb 0.08 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 1r76 n ASN 215 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r76 n GLY 216 N 0.41 2.57 3.69 4.83 0.00 -0.09 -4.35 105.19 112.25 1r76 n GLY 216 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1r76 n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r76 n GLY 217 N -2.00 -2.34 2.87 -0.02 0.00 -1.26 -3.89 105.19 98.55 1r76 n GLY 217 Ca 0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1r76 n GLY 217 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r76 s TRP 218 N -3.35 0.09 0.34 1.61 0.51 -1.26 -0.13 118.94 116.75 1r76 s TRP 218 Ca 0.74 -0.00 -0.10 0.00 -2.12 0.00 0.00 56.10 54.61 1r76 s TRP 218 Cb -0.05 -0.09 -0.07 0.00 -0.81 0.00 0.00 33.47 32.45 1r76 s TRP 218 CO 0.55 -0.01 0.69 -1.25 -0.51 0.00 0.00 176.95 176.42 1r76 s PRO 219 N 0.12 3.81 0.38 4.98 0.04 -1.26 -0.80 135.00 142.26 1r76 s PRO 219 Ca -0.01 0.41 0.13 0.00 0.04 0.00 0.00 61.00 61.57 1r76 s PRO 219 Cb -0.02 -2.48 0.74 0.00 0.04 0.00 0.00 34.50 32.78 1r76 s PRO 219 CO -0.00 0.10 1.84 0.37 0.04 0.00 0.00 177.00 179.35 1r76 h GLN 220 N 1.75 0.00 -4.72 4.56 4.15 -1.47 -3.44 115.11 115.94 1r76 h GLN 220 Ca -0.47 -0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.58 1r76 h GLN 220 Cb 1.18 -0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.61 1r76 h GLN 220 CO 0.65 0.36 -0.77 0.08 -1.93 0.00 0.00 178.83 177.22 1r76 s VAL 221 N -4.23 0.69 -0.28 2.39 1.01 -1.23 -1.97 120.40 116.79 1r76 s VAL 221 Ca -0.03 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1r76 s VAL 221 Cb 0.14 -0.63 0.08 0.00 0.00 0.00 0.00 36.38 35.98 1r76 s VAL 221 CO 0.72 0.03 0.74 0.86 0.00 0.00 0.00 175.10 177.45 1r76 s TRP 222 N -0.55 -0.89 0.53 5.22 -0.00 0.39 -4.11 118.94 119.52 1r76 s TRP 222 Ca 0.00 1.93 -0.19 0.00 -0.00 0.00 0.00 56.10 57.83 1r76 s TRP 222 Cb -0.05 0.46 -0.09 0.00 -0.00 0.00 0.00 33.47 33.79 1r76 s TRP 222 CO 0.00 -0.44 0.63 -2.30 -0.00 0.00 0.00 176.95 174.85 1r76 n PRO 223 N 3.54 0.66 -1.61 5.86 -0.02 -1.26 -4.41 135.00 137.75 1r76 n PRO 223 Ca -0.17 0.25 -0.51 0.00 -2.02 0.00 0.00 63.50 61.04 1r76 n PRO 223 Cb 0.57 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.23 1r76 n PRO 223 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1r76 n LEU 224 N 0.47 1.97 -0.01 2.45 4.77 -1.26 -4.88 117.00 120.52 1r76 n LEU 224 Ca 0.12 1.11 0.10 0.00 -0.03 0.00 0.00 56.01 57.30 1r76 n LEU 224 Cb 0.45 -1.23 -0.14 0.00 -2.33 0.00 0.00 43.42 40.18 1r76 n LEU 224 CO 0.52 -0.86 -0.49 1.21 -1.33 0.00 0.00 177.39 176.44 1r76 n GLU 225 N 2.95 0.62 0.00 3.23 2.13 -1.26 -4.99 120.64 123.32 1r76 n GLU 225 Ca 0.19 -0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1r76 n GLU 225 Cb 0.20 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1r76 n GLU 225 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r76 n GLY 226 N 1.40 0.26 7.00 8.31 0.00 -1.26 -5.04 105.19 115.87 1r76 n GLY 226 Ca -0.01 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1r76 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r76 n GLY 227 N 0.05 0.59 0.00 -0.02 0.00 -1.26 -2.84 105.19 101.71 1r76 n GLY 227 Ca 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.25 1r76 n GLY 227 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1r76 n TYR 228 N 0.00 0.00 0.32 1.61 0.18 -1.26 -1.47 117.16 116.54 1r76 n TYR 228 Ca 0.00 0.00 0.15 0.00 1.88 0.00 0.00 57.90 59.93 1r76 n TYR 228 Cb 0.00 -0.36 0.53 0.00 -0.38 0.00 0.00 39.34 39.14 1r76 n TYR 228 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1r76 h HIS 229 N 0.00 0.00 -0.07 -3.48 3.86 -1.91 -2.56 115.15 110.99 1r76 h HIS 229 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r76 h HIS 229 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1r76 h HIS 229 CO 0.00 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.54 1r76 n ASP 230 N -2.83 1.08 -4.86 2.45 9.92 -0.54 -1.80 116.55 119.96 1r76 n ASP 230 Ca 0.02 -1.49 -0.31 0.00 -0.53 0.00 0.00 54.79 52.48 1r76 n ASP 230 Cb 0.34 -0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 40.74 1r76 n ASP 230 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r76 s ALA 231 N -1.92 3.31 -0.38 2.24 0.00 -0.97 -4.47 121.76 119.56 1r76 s ALA 231 Ca 0.35 -0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.95 1r76 s ALA 231 Cb 0.18 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1r76 s ALA 231 CO 0.29 0.04 2.11 0.42 0.00 0.00 0.00 175.76 178.62 1r76 s ILE 232 N -2.31 3.18 -0.49 0.00 1.01 0.15 -3.90 121.20 118.84 1r76 s ILE 232 Ca 0.53 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 61.12 1r76 s ILE 232 Cb -0.10 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.09 1r76 s ILE 232 CO 0.28 -0.25 0.77 -0.89 0.00 0.00 0.00 174.94 174.85 1r76 s THR 233 N 9.13 4.65 -0.12 2.92 2.01 0.02 -2.08 115.64 132.17 1r76 s THR 233 Ca 0.89 0.13 0.17 0.00 0.31 0.00 0.00 61.69 63.19 1r76 s THR 233 Cb -0.23 -4.36 -0.21 0.00 0.01 0.00 0.00 72.50 67.71 1r76 s THR 233 CO 0.30 -0.84 0.55 -1.22 -0.69 0.00 0.00 174.62 172.72 1r76 n TYR 234 N 6.75 0.63 -1.60 4.92 0.53 -0.18 -1.91 117.16 126.29 1r76 n TYR 234 Ca -0.00 0.22 -0.58 0.00 -1.02 0.00 0.00 57.90 56.51 1r76 n TYR 234 Cb 0.47 -1.03 -0.08 0.00 -1.03 0.00 0.00 39.34 37.67 1r76 n TYR 234 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1r76 n ASN 235 N -2.83 1.07 -1.13 7.72 5.15 -0.34 -1.06 115.26 123.85 1r76 n ASN 235 Ca -0.17 1.14 -0.13 0.00 -0.60 0.00 0.00 54.58 54.82 1r76 n ASN 235 Cb 0.95 -1.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.13 1r76 n ASN 235 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1r76 n ASP 236 N 2.81 -4.37 -0.01 1.20 4.64 -1.26 -2.70 116.55 116.86 1r76 n ASP 236 Ca 0.22 0.21 -0.00 0.00 -1.38 0.00 0.00 54.79 53.84 1r76 n ASP 236 Cb 0.10 -3.18 -0.00 0.00 -1.04 0.00 0.00 41.12 37.00 1r76 n ASP 236 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1r76 n ASP 237 N -0.18 -4.45 -0.14 1.67 8.00 -0.22 -4.73 116.55 116.49 1r76 n ASP 237 Ca -0.14 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.26 1r76 n ASP 237 Cb 0.48 -1.96 -0.08 0.00 -0.02 0.00 0.00 41.12 39.54 1r76 n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r76 h ALA 238 N 0.00 -0.66 -0.44 2.24 0.00 -1.48 0.79 119.26 119.71 1r76 h ALA 238 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1r76 h ALA 238 Cb 0.49 1.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1r76 h ALA 238 CO 0.01 -0.89 -0.09 1.25 0.00 0.00 0.00 179.25 179.52 1r76 h LEU 239 N -0.28 0.77 -0.47 0.00 6.46 -1.60 -2.55 115.31 117.64 1r76 h LEU 239 Ca 0.07 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1r76 h LEU 239 Cb 0.46 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1r76 h LEU 239 CO -0.52 0.89 0.19 0.58 -0.62 0.00 0.00 178.44 178.96 1r76 h VAL 240 N 0.71 1.21 -0.91 1.05 2.07 -1.76 -1.57 116.25 117.05 1r76 h VAL 240 Ca 0.12 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1r76 h VAL 240 Cb 0.57 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1r76 h VAL 240 CO 0.04 0.24 0.52 0.45 0.02 0.00 0.00 177.57 178.84 1r76 h HIS 241 N 0.62 1.23 -0.33 1.57 3.86 -0.71 -0.67 115.15 120.72 1r76 h HIS 241 Ca 0.16 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1r76 h HIS 241 Cb 0.20 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 1r76 h HIS 241 CO 0.00 0.84 0.08 0.28 0.86 0.00 0.00 177.93 179.99 1r76 h VAL 242 N 1.27 1.22 -0.23 2.45 2.07 -1.18 -1.53 116.25 120.32 1r76 h VAL 242 Ca 0.32 -0.75 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 1r76 h VAL 242 Cb -0.01 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1r76 h VAL 242 CO -0.06 0.25 -0.21 0.00 0.02 0.00 0.00 177.57 177.58 1r76 h ALA 243 N 0.92 1.21 -0.07 1.67 0.00 -0.98 -1.42 119.26 120.59 1r76 h ALA 243 Ca 0.10 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 1r76 h ALA 243 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1r76 h ALA 243 CO 0.00 0.51 -0.69 0.93 0.00 0.00 0.00 179.25 180.00 1r76 h GLU 244 N 0.38 0.30 0.30 0.00 5.08 -0.97 -0.70 114.58 118.97 1r76 h GLU 244 Ca 0.06 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1r76 h GLU 244 Cb 0.58 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1r76 h GLU 244 CO 0.04 0.88 -0.14 1.25 -1.00 0.00 0.00 179.01 180.03 1r76 h LEU 245 N 0.21 -0.34 -1.45 1.33 5.85 -0.87 -1.27 115.31 118.77 1r76 h LEU 245 Ca -0.02 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1r76 h LEU 245 Cb 1.24 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1r76 h LEU 245 CO 0.11 -0.04 0.32 -0.07 -0.34 0.00 0.00 178.44 178.42 1r76 h LEU 246 N -0.66 0.60 0.39 2.25 -0.00 -1.28 -0.46 115.31 116.15 1r76 h LEU 246 Ca -0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1r76 h LEU 246 Cb 0.47 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1r76 h LEU 246 CO 0.07 0.46 -0.25 -1.28 -0.00 0.00 0.00 178.44 177.43 1r76 h SER 247 N 0.70 -0.63 -1.00 -0.43 0.87 -0.94 0.16 113.55 112.29 1r76 h SER 247 Ca 0.19 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.87 1r76 h SER 247 Cb -0.04 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.03 1r76 h SER 247 CO -0.04 -0.40 0.64 0.44 -0.53 0.00 0.00 176.83 176.95 1r76 h ASP 248 N -0.62 1.00 -0.29 6.23 3.45 -0.60 -1.09 116.42 124.50 1r76 h ASP 248 Ca -0.04 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.42 1r76 h ASP 248 Cb 0.51 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1r76 h ASP 248 CO 0.04 0.61 0.10 0.40 -1.57 0.00 0.00 179.24 178.82 1r76 h ILE 249 N 1.12 1.19 -0.96 0.35 2.04 -0.73 0.23 117.51 120.75 1r76 h ILE 249 Ca 0.45 -0.59 0.14 0.00 1.00 0.00 0.00 64.86 65.86 1r76 h ILE 249 Cb 0.25 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1r76 h ILE 249 CO -0.20 0.20 0.61 0.00 0.00 0.00 0.00 178.15 178.76 1r76 h ALA 250 N 0.94 1.68 0.00 1.87 0.00 0.25 0.59 119.26 124.59 1r76 h ALA 250 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r76 h ALA 250 Cb 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1r76 h ALA 250 CO -0.01 0.06 -0.16 0.00 0.00 0.00 0.00 179.25 179.15 1r76 n ALA 251 N -2.38 2.51 -1.38 0.00 0.00 -0.50 -4.89 120.51 113.86 1r76 n ALA 251 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 1r76 n ALA 251 Cb 0.43 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1r76 n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r76 n GLY 252 N 1.37 0.64 4.02 0.00 0.00 0.74 -5.02 105.19 106.95 1r76 n GLY 252 Ca 0.05 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1r76 n GLY 252 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r76 s ARG 253 N -2.89 2.29 -1.49 1.61 0.52 -0.71 -3.00 118.95 115.28 1r76 s ARG 253 Ca 0.00 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 53.76 1r76 s ARG 253 Cb 0.00 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1r76 s ARG 253 CO 0.00 -0.87 0.14 -0.25 0.02 0.00 0.00 175.30 174.35 1r76 n ASP 254 N -2.29 -5.19 0.00 0.23 8.00 -1.26 -1.90 116.55 114.13 1r76 n ASP 254 Ca 0.14 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1r76 n ASP 254 Cb 0.61 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 1r76 n ASP 254 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r76 n GLY 255 N -1.05 0.79 1.38 0.44 0.00 -1.26 -4.43 105.19 101.05 1r76 n GLY 255 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1r76 n GLY 255 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1r76 n PHE 256 N -2.33 1.26 0.31 1.61 3.01 -0.80 -4.38 117.46 116.15 1r76 n PHE 256 Ca 0.00 -0.50 0.19 0.00 1.01 0.00 0.00 57.45 58.15 1r76 n PHE 256 Cb 0.00 -0.22 1.03 0.00 -0.01 0.00 0.00 39.48 40.28 1r76 n PHE 256 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1r76 h GLY 257 N 4.45 0.00 1.68 1.37 0.00 -1.79 0.02 103.07 108.80 1r76 h GLY 257 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r76 h GLY 257 CO 0.20 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.71 1r76 n PHE 258 N -3.36 0.00 -2.39 5.60 1.16 -1.26 -4.83 117.46 112.39 1r76 n PHE 258 Ca -0.02 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.13 1r76 n PHE 258 Cb 0.16 -0.34 -0.02 0.00 -1.61 0.00 0.00 39.48 37.66 1r76 n PHE 258 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1r76 s VAL 259 N -2.68 4.17 0.28 1.97 1.01 -0.01 -4.97 120.40 120.17 1r76 s VAL 259 Ca 0.23 1.46 -0.27 0.00 0.00 0.00 0.00 61.98 63.39 1r76 s VAL 259 Cb 0.18 -3.94 -0.15 0.00 0.00 0.00 0.00 36.38 32.48 1r76 s VAL 259 CO 0.44 -0.08 0.83 -2.65 0.00 0.00 0.00 175.10 173.64 1r76 n PRO 260 N 6.07 0.89 -0.18 2.72 -0.02 -1.26 -4.68 135.00 138.53 1r76 n PRO 260 Ca 0.13 0.31 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 1r76 n PRO 260 Cb 0.45 -1.57 0.35 0.00 -0.02 0.00 0.00 33.50 32.71 1r76 n PRO 260 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1r76 h PRO 261 N 1.59 0.74 -0.88 0.52 0.11 -1.96 -1.42 132.00 130.71 1r76 h PRO 261 Ca -0.36 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.75 1r76 h PRO 261 Cb 1.37 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1r76 h PRO 261 CO 0.59 0.49 0.56 0.00 -0.21 0.00 0.00 178.00 179.42 1r76 h ALA 262 N 1.60 1.18 0.00 -0.75 0.00 -2.00 -0.20 119.26 119.10 1r76 h ALA 262 Ca 0.31 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 1r76 h ALA 262 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1r76 h ALA 262 CO -0.10 0.36 -0.88 0.82 0.00 0.00 0.00 179.25 179.45 1r76 h ILE 263 N 1.05 1.50 -0.03 0.00 2.04 -1.69 -2.85 117.51 117.53 1r76 h ILE 263 Ca 0.36 -2.65 -0.11 0.00 1.00 0.00 0.00 64.86 63.47 1r76 h ILE 263 Cb 0.08 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1r76 h ILE 263 CO -0.14 0.77 -0.50 0.03 0.00 0.00 0.00 178.15 178.31 1r76 h ARG 264 N 0.10 0.07 -0.43 2.37 3.08 -0.69 -1.21 114.38 117.65 1r76 h ARG 264 Ca -0.04 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1r76 h ARG 264 Cb 1.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.55 1r76 h ARG 264 CO 0.13 0.55 -0.08 1.15 -1.07 0.00 0.00 179.97 180.65 1r76 h THR 265 N 0.05 1.27 -0.76 2.04 2.02 -1.00 -2.05 112.91 114.48 1r76 h THR 265 Ca -0.00 -1.17 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 1r76 h THR 265 Cb 0.91 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1r76 h THR 265 CO 0.07 0.40 0.32 0.03 0.37 0.00 0.00 175.52 176.71 1r76 h ARG 266 N 0.65 1.13 -0.20 6.66 3.08 -1.23 -1.76 114.38 122.70 1r76 h ARG 266 Ca 0.11 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1r76 h ARG 266 Cb 0.61 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1r76 h ARG 266 CO 0.04 0.91 -0.01 0.00 -1.07 0.00 0.00 179.97 179.83 1r76 h ALA 267 N 1.17 1.60 0.09 0.04 0.00 -1.01 0.12 119.26 121.26 1r76 h ALA 267 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r76 h ALA 267 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1r76 h ALA 267 CO -0.02 0.30 -0.04 1.25 0.00 0.00 0.00 179.25 180.73 1r76 h LEU 268 N 0.29 -0.10 -0.87 0.00 5.85 -0.75 -0.16 115.31 119.57 1r76 h LEU 268 Ca 0.07 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.47 1r76 h LEU 268 Cb 0.23 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1r76 h LEU 268 CO 0.01 0.35 0.54 -0.33 -0.34 0.00 0.00 178.44 178.67 1r76 h GLU 269 N -0.57 0.95 -0.35 1.25 5.08 -1.02 -0.76 114.58 119.15 1r76 h GLU 269 Ca -0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1r76 h GLU 269 Cb 0.47 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1r76 h GLU 269 CO 0.02 0.63 0.20 0.00 -1.00 0.00 0.00 179.01 178.86 1r76 h ALA 270 N 1.41 0.45 -0.74 3.43 0.00 -0.70 -0.78 119.26 122.33 1r76 h ALA 270 Ca 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1r76 h ALA 270 Cb 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1r76 h ALA 270 CO -0.18 -0.04 0.43 1.15 0.00 0.00 0.00 179.25 180.61 1r76 h THR 271 N 0.45 1.21 -0.50 0.00 2.02 -0.17 0.15 112.91 116.08 1r76 h THR 271 Ca 0.13 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.71 1r76 h THR 271 Cb 0.03 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1r76 h THR 271 CO -0.02 0.23 -0.07 0.78 0.37 0.00 0.00 175.52 176.81 1r76 h ASN 272 N 1.03 0.92 -0.49 4.18 2.35 -0.77 -1.04 115.58 121.76 1r76 h ASN 272 Ca 0.26 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1r76 h ASN 272 Cb -0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1r76 h ASN 272 CO -0.05 1.04 0.14 0.00 -1.65 0.00 0.00 177.43 176.92 1r76 h ALA 273 N 0.91 0.64 -0.94 -0.83 0.00 -0.38 -0.45 119.26 118.21 1r76 h ALA 273 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1r76 h ALA 273 Cb 0.61 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1r76 h ALA 273 CO 0.04 0.31 0.58 0.00 0.00 0.00 0.00 179.25 180.18 1r76 h ALA 274 N 1.00 1.20 -0.22 0.00 0.00 -0.50 0.06 119.26 120.80 1r76 h ALA 274 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1r76 h ALA 274 Cb 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1r76 h ALA 274 CO -0.00 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.77 1r76 h ILE 275 N 1.29 1.20 -0.04 0.00 2.04 -0.81 -1.87 117.51 119.31 1r76 h ILE 275 Ca 0.34 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1r76 h ILE 275 Cb -0.08 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1r76 h ILE 275 CO -0.07 0.20 -0.30 -0.74 0.00 0.00 0.00 178.15 177.24 1r76 h HIS 276 N 0.18 -0.81 -0.66 1.37 2.76 -0.57 -1.75 115.15 115.67 1r76 h HIS 276 Ca 0.07 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.39 1r76 h HIS 276 Cb 0.25 0.37 -0.12 0.00 1.55 0.00 0.00 27.41 29.45 1r76 h HIS 276 CO 0.01 -0.39 -0.32 0.00 -1.30 0.00 0.00 177.93 175.93 1r76 h ILE 278 N -0.12 0.72 -0.02 0.00 2.04 -0.57 -0.99 117.51 118.57 1r76 h ILE 278 Ca 0.26 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1r76 h ILE 278 Cb 0.55 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1r76 h ILE 278 CO -0.73 0.10 -0.06 0.58 0.00 0.00 0.00 178.15 178.04 1r76 h VAL 279 N 0.54 1.46 0.00 1.67 2.07 0.12 -2.94 116.25 119.17 1r76 h VAL 279 Ca 0.48 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1r76 h VAL 279 Cb 1.01 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1r76 h VAL 279 CO -0.22 0.39 0.00 -0.62 0.02 0.00 0.00 177.57 177.14 1r76 n GLU 280 N -4.72 0.61 -0.00 1.57 -0.58 0.52 -3.06 120.64 114.98 1r76 n GLU 280 Ca -0.08 0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.72 1r76 n GLU 280 Cb 0.34 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 1r76 n GLU 280 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1r76 n THR 281 N -1.06 0.00 -1.66 2.62 -2.24 -0.44 -5.01 114.28 106.50 1r76 n THR 281 Ca 0.15 -0.24 -0.46 0.00 -2.27 0.00 0.00 64.05 61.23 1r76 n THR 281 Cb 0.10 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1r76 n THR 281 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1r76 n GLN 282 N -1.60 1.93 -2.21 -0.78 7.27 -1.11 -4.87 117.38 116.01 1r76 n GLN 282 Ca -0.00 0.69 -0.42 0.00 0.07 0.00 0.00 57.00 57.33 1r76 n GLN 282 Cb 0.21 -2.37 -0.03 0.00 2.41 0.00 0.00 30.24 30.46 1r76 n GLN 282 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1r76 s VAL 283 N 0.27 3.83 -0.44 1.69 1.01 -1.11 -4.88 120.40 120.76 1r76 s VAL 283 Ca 0.73 1.09 -0.08 0.00 0.00 0.00 0.00 61.98 63.72 1r76 s VAL 283 Cb -0.70 -3.70 0.10 0.00 0.00 0.00 0.00 36.38 32.08 1r76 s VAL 283 CO 0.46 -0.06 0.29 0.68 0.00 0.00 0.00 175.10 176.47 1r76 s VAL 284 N 3.25 4.12 -1.18 2.92 -7.23 -1.26 0.78 120.40 121.79 1r76 s VAL 284 Ca 0.64 -1.62 -0.09 0.00 -1.81 0.00 0.00 61.98 59.10 1r76 s VAL 284 Cb -0.29 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 32.96 1r76 s VAL 284 CO 0.24 -0.63 2.38 1.67 -0.31 0.00 0.00 175.10 178.46 1r76 n GLN 285 N 4.88 2.63 -3.04 4.82 -0.06 0.87 -4.59 117.38 122.89 1r76 n GLN 285 Ca -0.08 -1.83 -0.14 0.00 -2.00 0.00 0.00 57.00 52.95 1r76 n GLN 285 Cb 0.42 -2.68 0.01 0.00 -4.06 0.00 0.00 30.24 23.93 1r76 n GLN 285 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1r76 n ASP 286 N 4.47 -7.14 0.00 1.69 8.00 -1.26 -3.68 116.55 118.62 1r76 n ASP 286 Ca 0.57 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.59 1r76 n ASP 286 Cb 0.21 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 1r76 n ASP 286 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r76 n GLY 287 N 0.15 2.81 3.90 0.44 0.00 -1.26 -5.02 105.19 106.20 1r76 n GLY 287 Ca 0.02 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1r76 n GLY 287 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r76 s LYS 288 N 0.00 3.65 0.11 1.61 -0.14 -1.24 -5.09 119.74 118.63 1r76 s LYS 288 Ca 0.00 0.21 -0.00 0.00 -1.36 0.00 0.00 55.97 54.82 1r76 s LYS 288 Cb 0.00 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.64 1r76 s LYS 288 CO 0.00 -0.01 0.27 1.03 -0.76 0.00 0.00 175.35 175.89 1r76 s ARG 289 N -4.06 3.48 0.00 1.68 1.81 -1.26 -0.09 118.95 120.51 1r76 s ARG 289 Ca 0.47 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 54.08 1r76 s ARG 289 Cb -0.10 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.42 1r76 s ARG 289 CO 0.35 0.55 0.00 1.28 -0.68 0.00 0.00 175.30 176.80 1r76 n LEU 290 N -0.01 0.00 0.00 2.53 4.77 0.23 -4.49 117.00 120.04 1r76 n LEU 290 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1r76 n LEU 290 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1r76 n LEU 290 CO 0.50 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1r76 n GLY 291 N 0.60 -2.18 0.00 -0.72 0.00 -1.26 -4.28 105.19 97.35 1r76 n GLY 291 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1r76 n GLY 291 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1r76 n TRP 292 N -0.45 0.00 0.00 1.61 8.01 -1.26 -2.75 117.44 122.60 1r76 n TRP 292 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1r76 n TRP 292 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1r76 n TRP 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1r76 n GLY 293 N 2.50 -2.80 0.33 6.99 0.00 -1.26 -4.68 105.19 106.27 1r76 n GLY 293 Ca 0.00 -1.12 0.20 0.00 0.00 0.00 0.00 46.02 45.10 1r76 n GLY 293 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r76 h GLN 294 N 0.00 0.10 -4.10 1.61 4.20 -1.91 -3.43 115.11 111.58 1r76 h GLN 294 Ca 0.00 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 1r76 h GLN 294 Cb 0.00 -0.02 -0.19 0.00 0.30 0.00 0.00 27.48 27.57 1r76 h GLN 294 CO 0.00 0.06 -0.69 -0.65 -0.67 0.00 0.00 178.83 176.88 1r76 s GLN 295 N -5.80 0.44 0.08 1.46 1.11 -1.26 -1.01 119.66 114.67 1r76 s GLN 295 Ca -0.11 -0.86 0.03 0.00 0.01 0.00 0.00 55.36 54.43 1r76 s GLN 295 Cb 0.30 0.14 -0.03 0.00 -1.01 0.00 0.00 33.01 32.40 1r76 s GLN 295 CO 0.78 -0.07 -0.10 -1.01 0.01 0.00 0.00 175.29 174.90 1r76 s HIS 296 N -2.44 0.94 0.27 0.91 3.76 -0.88 -1.06 115.29 116.79 1r76 s HIS 296 Ca -0.07 -0.60 -0.29 0.00 -0.15 0.00 0.00 55.06 53.95 1r76 s HIS 296 Cb -0.03 -0.53 -0.09 0.00 1.11 0.00 0.00 32.58 33.04 1r76 s HIS 296 CO -0.05 -0.04 1.20 0.34 -0.85 0.00 0.00 174.74 175.35 1r76 s ASP 297 N -2.13 7.05 0.52 1.40 2.15 -1.00 0.34 116.67 125.01 1r76 s ASP 297 Ca 0.00 2.40 0.34 0.00 0.43 0.00 0.00 52.55 55.72 1r76 s ASP 297 Cb -0.05 -2.63 1.62 0.00 -0.30 0.00 0.00 42.92 41.56 1r76 s ASP 297 CO -0.00 -0.34 2.03 0.00 -0.17 0.00 0.00 175.17 176.69 1r76 h ALA 298 N 4.16 1.00 0.00 3.66 0.00 -1.92 -0.26 119.26 125.90 1r76 h ALA 298 Ca -0.47 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1r76 h ALA 298 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1r76 h ALA 298 CO 0.69 0.00 -1.64 1.28 0.00 0.00 0.00 179.25 179.58 1r76 n LEU 299 N -2.87 2.96 0.09 0.00 4.77 -1.26 -4.68 117.00 116.01 1r76 n LEU 299 Ca -0.01 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1r76 n LEU 299 Cb 0.19 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 1r76 n LEU 299 CO 0.22 0.69 0.12 0.74 -1.33 0.00 0.00 177.39 177.83 1r76 h THR 300 N 0.00 1.49 0.00 -5.08 2.02 -1.96 -3.47 112.91 105.92 1r76 h THR 300 Ca -0.25 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1r76 h THR 300 Cb 1.39 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 1r76 h THR 300 CO -0.04 0.82 0.00 0.18 0.37 0.00 0.00 175.52 176.85 1r76 n LEU 301 N -3.61 0.04 -4.85 2.58 4.77 -0.11 -4.92 117.00 110.90 1r76 n LEU 301 Ca -0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.60 1r76 n LEU 301 Cb 0.90 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 1r76 n LEU 301 CO 0.51 -0.02 0.56 -0.13 -1.33 0.00 0.00 177.39 176.97 1r76 s ARG 302 N -0.04 3.98 0.19 3.23 0.52 -1.26 -4.61 118.95 120.96 1r76 s ARG 302 Ca 0.00 0.80 -0.33 0.00 -0.52 0.00 0.00 55.73 55.69 1r76 s ARG 302 Cb 0.00 -2.27 -0.14 0.00 0.52 0.00 0.00 34.95 33.06 1r76 s ARG 302 CO 0.00 -0.07 1.50 -2.30 0.02 0.00 0.00 175.30 174.45 1r76 n PRO 303 N -1.05 2.08 -3.98 3.54 -0.02 -1.26 -2.37 135.00 131.95 1r76 n PRO 303 Ca 0.05 0.75 -0.26 0.00 -2.02 0.00 0.00 63.50 62.02 1r76 n PRO 303 Cb 0.54 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1r76 n PRO 303 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1r76 n THR 304 N 2.75 0.00 -2.90 3.45 5.66 -0.22 -4.68 114.28 118.34 1r76 n THR 304 Ca 0.15 -1.99 -0.19 0.00 -3.05 0.00 0.00 64.05 58.96 1r76 n THR 304 Cb 0.30 0.20 0.04 0.00 -1.55 0.00 0.00 70.33 69.32 1r76 n THR 304 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1r76 s SER 305 N -3.56 5.29 0.00 1.09 1.04 -1.26 -3.73 113.70 112.57 1r76 s SER 305 Ca 0.11 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1r76 s SER 305 Cb -0.01 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1r76 s SER 305 CO 0.07 -1.11 0.00 0.00 0.98 0.00 0.00 173.24 173.18 1r76 n ALA 306 N -2.16 0.00 -1.91 5.32 0.00 -0.22 -4.41 120.51 117.13 1r76 n ALA 306 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 1r76 n ALA 306 Cb 0.60 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.13 1r76 n ALA 306 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r76 s ARG 307 N 1.60 2.15 0.43 0.00 0.52 -1.26 -4.58 118.95 117.81 1r76 s ARG 307 Ca 0.00 0.12 0.23 0.00 -0.52 0.00 0.00 55.73 55.56 1r76 s ARG 307 Cb 0.00 -2.00 1.23 0.00 0.52 0.00 0.00 34.95 34.70 1r76 s ARG 307 CO 0.00 -1.45 1.77 -0.91 0.02 0.00 0.00 175.30 174.73 1r76 h ASN 308 N -0.92 0.33 -0.60 0.23 2.35 -1.91 0.25 115.58 115.31 1r76 h ASN 308 Ca -0.46 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1r76 h ASN 308 Cb 1.31 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1r76 h ASN 308 CO 0.65 0.04 0.00 2.22 -1.65 0.00 0.00 177.43 178.69 1r76 n PHE 309 N -4.53 1.39 -3.74 1.19 1.16 -1.24 -3.82 117.46 107.86 1r76 n PHE 309 Ca 0.26 -0.55 -0.29 0.00 -1.87 0.00 0.00 57.45 54.99 1r76 n PHE 309 Cb 1.00 -0.24 -0.13 0.00 -1.61 0.00 0.00 39.48 38.50 1r76 n PHE 309 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1r76 s GLU 310 N -1.84 1.39 0.53 3.97 2.02 0.86 -4.34 118.70 121.30 1r76 s GLU 310 Ca 0.47 -2.11 -0.13 0.00 0.02 0.00 0.00 54.97 53.21 1r76 s GLU 310 Cb 0.31 -2.47 -0.06 0.00 0.10 0.00 0.00 34.13 32.00 1r76 s GLU 310 CO 0.23 -1.16 0.96 -1.25 0.02 0.00 0.00 175.26 174.05 1r76 s PRO 311 N 0.23 3.80 -0.05 0.39 0.04 -1.26 -1.06 135.00 137.08 1r76 s PRO 311 Ca 0.18 0.79 -0.33 0.00 0.04 0.00 0.00 61.00 61.68 1r76 s PRO 311 Cb -0.24 -2.16 -0.11 0.00 0.04 0.00 0.00 34.50 32.03 1r76 s PRO 311 CO -0.00 -0.33 1.93 0.00 0.04 0.00 0.00 177.00 178.64 1r76 n ALA 312 N -1.95 1.16 -3.61 8.56 0.00 -1.24 -4.74 120.51 118.68 1r76 n ALA 312 Ca 0.06 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.66 1r76 n ALA 312 Cb 0.54 -2.58 -0.05 0.00 0.00 0.00 0.00 19.45 17.36 1r76 n ALA 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r76 s ALA 313 N 4.42 -2.03 0.34 0.00 0.00 -1.26 -4.81 121.76 118.41 1r76 s ALA 313 Ca 0.92 1.73 -0.27 0.00 0.00 0.00 0.00 51.96 54.34 1r76 s ALA 313 Cb -0.59 -1.20 -0.13 0.00 0.00 0.00 0.00 23.12 21.20 1r76 s ALA 313 CO 0.48 -0.25 1.14 1.28 0.00 0.00 0.00 175.76 178.41 1r76 n LEU 314 N 1.01 2.77 -4.23 0.00 4.32 -1.12 -4.14 117.00 115.61 1r76 n LEU 314 Ca -0.08 1.17 -0.33 0.00 -0.02 0.00 0.00 56.01 56.75 1r76 n LEU 314 Cb 0.58 -1.39 -0.15 0.00 -1.62 0.00 0.00 43.42 40.83 1r76 n LEU 314 CO 0.09 -0.98 -0.49 -0.55 -1.22 0.00 0.00 177.39 174.24 1r76 s SER 315 N -0.48 3.56 0.04 -1.43 0.15 -1.26 -1.47 113.70 112.81 1r76 s SER 315 Ca 0.58 -0.51 -0.31 0.00 0.70 0.00 0.00 55.95 56.41 1r76 s SER 315 Cb -0.61 -1.55 -0.18 0.00 -1.71 0.00 0.00 66.02 61.97 1r76 s SER 315 CO 0.60 0.06 1.41 0.77 1.20 0.00 0.00 173.24 177.29 1r76 h SER 316 N 7.46 -0.77 -0.49 5.45 4.64 -1.53 -2.18 113.55 126.12 1r76 h SER 316 Ca -0.35 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1r76 h SER 316 Cb 1.18 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.44 1r76 h SER 316 CO 0.58 -0.47 0.30 0.71 -0.87 0.00 0.00 176.83 177.08 1r76 h THR 317 N -1.05 1.07 0.00 2.95 1.35 -1.87 -1.57 112.91 113.79 1r76 h THR 317 Ca -0.09 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.52 1r76 h THR 317 Cb 0.73 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1r76 h THR 317 CO 0.15 0.11 -0.17 -0.33 -0.25 0.00 0.00 175.52 175.04 1r76 h GLU 318 N 0.61 0.00 -0.02 4.72 4.39 -1.91 -2.83 114.58 119.54 1r76 h GLU 318 Ca 0.19 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.73 1r76 h GLU 318 Cb -0.01 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1r76 h GLU 318 CO -0.08 0.17 -0.61 0.77 -1.16 0.00 0.00 179.01 178.10 1r76 h SER 319 N 0.00 0.57 -0.76 1.42 0.02 -0.97 -2.51 113.55 111.31 1r76 h SER 319 Ca -0.00 -0.74 0.05 0.00 -0.84 0.00 0.00 61.79 60.26 1r76 h SER 319 Cb 0.75 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 1r76 h SER 319 CO 0.02 1.23 0.50 0.00 -1.14 0.00 0.00 176.83 177.44 1r76 h ALA 320 N 0.35 1.62 -0.17 3.77 0.00 -1.20 0.09 119.26 123.72 1r76 h ALA 320 Ca -0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1r76 h ALA 320 Cb 1.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1r76 h ALA 320 CO 0.12 0.28 -0.14 0.00 0.00 0.00 0.00 179.25 179.51 1r76 h ARG 321 N 0.86 0.39 -0.19 0.00 3.08 -1.50 -1.33 114.38 115.69 1r76 h ARG 321 Ca 0.32 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1r76 h ARG 321 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1r76 h ARG 321 CO -0.10 0.75 -0.03 0.82 -1.07 0.00 0.00 179.97 180.33 1r76 h ILE 322 N 0.05 1.14 -0.02 2.04 2.04 -0.93 -1.96 117.51 119.87 1r76 h ILE 322 Ca 0.03 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1r76 h ILE 322 Cb 0.66 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1r76 h ILE 322 CO 0.04 0.18 -0.04 -0.07 0.00 0.00 0.00 178.15 178.26 1r76 h LEU 323 N 0.27 0.07 -1.66 1.44 3.38 -0.87 -2.05 115.31 115.89 1r76 h LEU 323 Ca 0.06 -0.54 0.11 0.00 0.09 0.00 0.00 57.88 57.61 1r76 h LEU 323 Cb 0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1r76 h LEU 323 CO 0.01 0.60 0.42 -0.07 0.09 0.00 0.00 178.44 179.49 1r76 h LEU 324 N -0.45 0.34 -0.20 1.67 3.38 -0.99 -0.31 115.31 118.74 1r76 h LEU 324 Ca 0.00 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1r76 h LEU 324 Cb 0.59 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1r76 h LEU 324 CO 0.01 0.20 -0.21 0.15 0.09 0.00 0.00 178.44 178.67 1r76 h PHE 325 N 0.37 0.60 -0.32 1.13 3.57 -1.22 -3.15 116.94 117.92 1r76 h PHE 325 Ca 0.30 -0.18 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 1r76 h PHE 325 Cb 0.66 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 1r76 h PHE 325 CO -0.00 0.86 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.62 1r76 h LEU 326 N 0.17 0.65 -0.02 0.59 3.38 -0.56 -2.48 115.31 117.04 1r76 h LEU 326 Ca 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1r76 h LEU 326 Cb 0.76 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1r76 h LEU 326 CO 0.05 0.89 0.00 0.23 0.09 0.00 0.00 178.44 179.70 1r76 n MET 327 N -4.11 0.00 0.17 1.13 2.81 -0.22 -1.49 117.12 115.41 1r76 n MET 327 Ca -0.00 0.32 0.10 0.00 -1.81 0.00 0.00 57.70 56.31 1r76 n MET 327 Cb 0.43 -1.51 0.09 0.00 -0.71 0.00 0.00 33.22 31.52 1r76 n MET 327 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1r76 h GLU 328 N 0.00 0.00 -6.68 0.03 4.57 -1.40 -3.47 114.58 107.63 1r76 h GLU 328 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1r76 h GLU 328 Cb 0.19 0.00 0.06 0.00 -0.16 0.00 0.00 28.75 28.83 1r76 h GLU 328 CO 0.00 0.09 0.87 0.42 -1.18 0.00 0.00 179.01 179.21 1r76 s ILE 329 N -3.19 2.46 -0.19 2.32 1.01 -0.56 -4.98 121.20 118.07 1r76 s ILE 329 Ca 0.04 0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.77 1r76 s ILE 329 Cb 0.07 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 1r76 s ILE 329 CO 0.72 0.04 0.91 -0.70 0.00 0.00 0.00 174.94 175.91 1r76 s GLU 330 N 0.48 4.29 -0.73 2.79 2.12 -1.26 -4.16 118.70 122.23 1r76 s GLU 330 Ca 0.67 1.14 -0.02 0.00 0.36 0.00 0.00 54.97 57.12 1r76 s GLU 330 Cb -0.45 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.35 1r76 s GLU 330 CO 0.37 -0.44 0.68 0.00 -0.54 0.00 0.00 175.26 175.34 1r76 n ALA 331 N 5.61 -2.57 -1.76 6.30 0.00 -1.26 -4.93 120.51 121.89 1r76 n ALA 331 Ca 0.07 0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 1r76 n ALA 331 Cb 0.48 -1.58 0.01 0.00 0.00 0.00 0.00 19.45 18.36 1r76 n ALA 331 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1r76 s PRO 332 N -3.20 3.54 0.69 0.00 0.02 -1.26 -5.02 135.00 129.77 1r76 s PRO 332 Ca 0.02 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.92 1r76 s PRO 332 Cb -0.01 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1r76 s PRO 332 CO 0.77 -0.80 1.07 -1.54 -0.33 0.00 0.00 177.00 176.18 1r76 s SER 333 N -1.14 5.57 0.38 2.53 1.04 -1.26 -4.80 113.70 116.02 1r76 s SER 333 Ca 0.66 1.31 0.07 0.00 0.48 0.00 0.00 55.95 58.46 1r76 s SER 333 Cb -0.34 -2.19 0.78 0.00 0.10 0.00 0.00 66.02 64.38 1r76 s SER 333 CO 0.41 -1.28 1.98 0.44 0.98 0.00 0.00 173.24 175.77 1r76 h ASP 334 N -0.61 0.61 -0.61 7.02 5.19 -1.98 0.10 116.42 126.15 1r76 h ASP 334 Ca -0.45 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.04 1r76 h ASP 334 Cb 1.23 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.55 1r76 h ASP 334 CO 0.62 0.40 0.28 0.00 -3.12 0.00 0.00 179.24 177.41 1r76 h ALA 335 N 1.63 0.80 0.00 3.45 0.00 -2.00 0.20 119.26 123.35 1r76 h ALA 335 Ca 0.28 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 1r76 h ALA 335 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1r76 h ALA 335 CO -0.09 -0.11 -0.60 0.28 0.00 0.00 0.00 179.25 178.73 1r76 h VAL 336 N 0.50 1.41 -0.45 0.00 2.07 -1.51 -2.61 116.25 115.66 1r76 h VAL 336 Ca 0.29 -2.08 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 1r76 h VAL 336 Cb 0.29 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1r76 h VAL 336 CO -0.25 0.59 -0.19 0.11 0.02 0.00 0.00 177.57 177.85 1r76 h LYS 337 N 0.00 0.89 -0.11 1.57 1.57 0.93 -2.19 116.57 119.23 1r76 h LYS 337 Ca -0.01 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 1r76 h LYS 337 Cb 1.08 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1r76 h LYS 337 CO 0.08 1.00 -0.07 1.96 -0.57 0.00 0.00 179.45 181.84 1r76 h GLN 338 N 0.78 0.25 -0.49 3.15 4.20 -0.60 -2.47 115.11 119.94 1r76 h GLN 338 Ca 0.11 -0.12 0.10 0.00 0.06 0.00 0.00 58.65 58.80 1r76 h GLN 338 Cb 0.73 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.42 1r76 h GLN 338 CO 0.06 0.62 -0.07 0.00 -0.67 0.00 0.00 178.83 178.77 1r76 h ALA 339 N 0.63 0.39 0.42 3.87 0.00 -1.39 0.20 119.26 123.38 1r76 h ALA 339 Ca 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1r76 h ALA 339 Cb 0.55 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1r76 h ALA 339 CO 0.02 -0.42 -0.20 0.82 0.00 0.00 0.00 179.25 179.47 1r76 h ILE 340 N 0.05 0.59 -0.63 0.00 2.04 -1.38 -1.56 117.51 116.61 1r76 h ILE 340 Ca 0.24 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1r76 h ILE 340 Cb 0.37 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 1r76 h ILE 340 CO -0.46 0.03 0.28 0.03 0.00 0.00 0.00 178.15 178.03 1r76 h ARG 341 N -0.66 0.48 0.24 2.37 3.08 -1.11 -0.96 114.38 117.82 1r76 h ARG 341 Ca -0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1r76 h ARG 341 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1r76 h ARG 341 CO 0.09 0.32 -0.12 0.78 -1.07 0.00 0.00 179.97 179.97 1r76 h GLY 342 N 0.50 -0.40 -0.27 0.04 0.00 -0.49 -2.17 103.07 100.27 1r76 h GLY 342 Ca 0.31 0.16 0.22 0.00 0.00 0.00 0.00 47.33 48.01 1r76 h GLY 342 CO -0.26 -0.15 0.32 -1.33 0.00 0.00 0.00 176.54 175.12 1r76 h GLY 343 N -0.33 1.42 1.30 4.60 0.00 -1.21 0.26 103.07 109.12 1r76 h GLY 343 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1r76 h GLY 343 CO 0.05 -0.30 0.40 -2.08 0.00 0.00 0.00 176.54 174.61 1r76 h VAL 344 N 0.32 1.19 0.42 4.60 2.07 -1.15 -1.60 116.25 122.10 1r76 h VAL 344 Ca 0.54 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1r76 h VAL 344 Cb 1.04 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1r76 h VAL 344 CO -0.57 0.21 -0.20 0.00 0.02 0.00 0.00 177.57 177.03 1r76 h ALA 345 N 1.50 -0.56 -0.42 1.67 0.00 0.17 -2.91 119.26 118.70 1r76 h ALA 345 Ca 0.24 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1r76 h ALA 345 Cb -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1r76 h ALA 345 CO -0.04 -0.66 0.29 0.11 0.00 0.00 0.00 179.25 178.94 1r76 h TRP 346 N -0.87 0.22 0.00 0.00 5.08 -1.28 1.17 115.95 120.27 1r76 h TRP 346 Ca -0.06 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.92 1r76 h TRP 346 Cb 0.56 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 1r76 h TRP 346 CO 0.01 0.11 0.00 -0.07 -1.28 0.00 0.00 178.44 177.22 1r76 h LEU 347 N 0.22 0.00 0.00 0.11 3.38 -1.11 -1.32 115.31 116.59 1r76 h LEU 347 Ca 0.19 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 1r76 h LEU 347 Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1r76 h LEU 347 CO -0.03 0.00 -2.15 0.59 0.09 0.00 0.00 178.44 176.93 1r76 n ASN 348 N -3.00 0.71 0.23 -0.43 5.03 0.37 -4.23 115.26 113.95 1r76 n ASN 348 Ca -0.02 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.52 1r76 n ASN 348 Cb 0.11 1.04 0.56 0.00 -1.02 0.00 0.00 39.78 40.47 1r76 n ASN 348 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 1r76 h THR 349 N 0.00 0.73 -3.69 3.41 1.35 -0.07 -3.36 112.91 111.27 1r76 h THR 349 Ca -0.42 -0.90 -0.66 0.00 -0.55 0.00 0.00 66.41 63.89 1r76 h THR 349 Cb 1.93 1.56 -0.40 0.00 -1.73 0.00 0.00 68.15 69.51 1r76 h THR 349 CO 0.02 0.21 -0.72 -0.94 -0.25 0.00 0.00 175.52 173.84 1r76 s SER 350 N -6.34 4.77 0.00 5.36 1.04 -0.55 -5.06 113.70 112.91 1r76 s SER 350 Ca -0.02 -2.13 0.00 0.00 0.48 0.00 0.00 55.95 54.28 1r76 s SER 350 Cb 0.13 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.62 1r76 s SER 350 CO 0.63 -0.38 0.00 0.52 0.98 0.00 0.00 173.24 175.00 1r76 n VAL 351 N 4.26 0.00 -3.75 5.02 0.31 -1.26 -4.74 118.33 118.17 1r76 n VAL 351 Ca 0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 1r76 n VAL 351 Cb 0.42 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.23 1r76 n VAL 351 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1r76 s ILE 352 N 0.54 -0.02 0.00 2.52 -1.09 -1.18 -4.84 121.20 117.14 1r76 s ILE 352 Ca 0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1r76 s ILE 352 Cb 0.00 -0.43 0.00 0.00 -1.58 0.00 0.00 42.46 40.45 1r76 s ILE 352 CO 0.00 0.02 0.08 0.54 -1.23 0.00 0.00 174.94 174.35 1r76 n ARG 353 N 3.49 0.00 -3.81 2.79 3.00 -1.26 -4.32 116.66 116.56 1r76 n ARG 353 Ca -0.18 0.00 -0.18 0.00 -0.01 0.00 0.00 57.85 57.49 1r76 n ARG 353 Cb 0.56 -0.58 -0.17 0.00 0.00 0.00 0.00 32.46 32.27 1r76 n ARG 353 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1r76 s ASP 354 N -2.03 0.58 0.00 0.55 1.01 -1.26 -4.85 116.67 110.66 1r76 s ASP 354 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.27 1r76 s ASP 354 Cb 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.76 1r76 s ASP 354 CO 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 175.17 175.23 1r76 n GLN 370 N 4.51 0.00 0.00 8.23 6.02 -1.26 -4.13 117.38 130.75 1r76 n GLN 370 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 1r76 n GLN 370 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 1r76 n GLN 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r76 n GLY 371 N 0.00 -0.53 0.26 1.08 0.00 -1.26 -5.00 105.19 99.75 1r76 n GLY 371 Ca 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 1r76 n GLY 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r76 h ALA 372 N 0.00 0.08 -2.56 4.61 0.00 -1.89 -3.41 119.26 116.09 1r76 h ALA 372 Ca 0.00 0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.51 1r76 h ALA 372 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1r76 h ALA 372 CO 0.00 -0.58 -0.11 0.15 0.00 0.00 0.00 179.25 178.71 1r76 s LYS 373 N -6.12 3.86 0.23 0.00 1.02 -1.26 -4.97 119.74 112.49 1r76 s LYS 373 Ca -0.14 0.35 -0.28 0.00 0.02 0.00 0.00 55.97 55.92 1r76 s LYS 373 Cb 0.15 -2.77 -0.16 0.00 -0.52 0.00 0.00 37.83 34.53 1r76 s LYS 373 CO 0.70 0.39 0.58 -2.30 -0.92 0.00 0.00 175.35 173.80 1r76 n PRO 374 N 0.26 0.24 -4.39 -1.68 -0.02 -1.26 -4.79 135.00 123.35 1r76 n PRO 374 Ca -0.02 0.08 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 1r76 n PRO 374 Cb 0.52 -1.15 -0.10 0.00 -0.02 0.00 0.00 33.50 32.75 1r76 n PRO 374 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1r76 s LEU 375 N 2.62 2.45 -0.19 2.45 1.43 -1.26 -4.28 118.68 121.89 1r76 s LEU 375 Ca 0.63 -1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.41 1r76 s LEU 375 Cb -0.87 -0.58 0.05 0.00 0.03 0.00 0.00 46.19 44.83 1r76 s LEU 375 CO 0.57 -0.34 0.50 0.26 0.23 0.00 0.00 176.35 177.58 1r76 s TRP 376 N -3.08 -0.60 0.10 0.29 0.51 0.11 -3.08 118.94 113.19 1r76 s TRP 376 Ca 0.28 1.39 -0.30 0.00 -2.12 0.00 0.00 56.10 55.35 1r76 s TRP 376 Cb 0.03 0.23 -0.06 0.00 -0.81 0.00 0.00 33.47 32.86 1r76 s TRP 376 CO 0.10 -0.30 1.14 0.45 -0.51 0.00 0.00 176.95 177.83 1r76 s SER 377 N 0.54 7.18 0.27 2.95 0.15 -1.26 -0.20 113.70 123.33 1r76 s SER 377 Ca -0.02 2.01 -0.02 0.00 0.70 0.00 0.00 55.95 58.61 1r76 s SER 377 Cb -0.04 -2.59 0.59 0.00 -1.71 0.00 0.00 66.02 62.27 1r76 s SER 377 CO -0.03 -0.36 1.63 -0.09 1.20 0.00 0.00 173.24 175.59 1r76 h ARG 378 N 6.17 0.11 -6.29 5.44 9.65 0.33 -3.37 114.38 126.43 1r76 h ARG 378 Ca -0.43 -0.01 -0.61 0.00 -1.10 0.00 0.00 59.98 57.84 1r76 h ARG 378 Cb 1.21 -0.03 -0.25 0.00 -1.39 0.00 0.00 29.97 29.52 1r76 h ARG 378 CO 0.77 0.08 -0.85 -0.06 2.80 0.00 0.00 179.97 182.71 1r76 s PHE 379 N -6.04 1.95 -0.02 2.20 0.40 -1.26 -1.86 117.98 113.35 1r76 s PHE 379 Ca -0.13 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1r76 s PHE 379 Cb 0.25 -1.15 -0.01 0.00 0.51 0.00 0.00 43.02 42.62 1r76 s PHE 379 CO 0.76 0.13 -0.18 0.71 0.70 0.00 0.00 175.22 177.34 1r76 s TYR 380 N -0.86 1.62 0.14 0.36 1.51 -0.54 -1.76 117.35 117.82 1r76 s TYR 380 Ca 0.09 -0.34 -0.32 0.00 -1.01 0.00 0.00 57.07 55.48 1r76 s TYR 380 Cb -0.09 -1.05 -0.12 0.00 -0.11 0.00 0.00 41.96 40.58 1r76 s TYR 380 CO 0.02 -0.05 1.74 0.45 -1.11 0.00 0.00 175.55 176.60 1r76 n SER 381 N 2.74 3.70 -0.36 2.29 2.88 0.48 -2.79 113.62 122.56 1r76 n SER 381 Ca -0.15 1.03 -0.03 0.00 -1.33 0.00 0.00 58.87 58.39 1r76 n SER 381 Cb 0.54 -1.50 0.10 0.00 -0.75 0.00 0.00 64.21 62.60 1r76 n SER 381 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1r76 h LEU 382 N 7.40 1.13 -8.49 2.46 3.38 -1.91 -2.48 115.31 116.80 1r76 h LEU 382 Ca -0.45 -0.05 -0.68 0.00 0.09 0.00 0.00 57.88 56.79 1r76 h LEU 382 Cb 1.23 -0.28 -0.17 0.00 0.09 0.00 0.00 40.66 41.52 1r76 h LEU 382 CO 0.93 0.84 0.00 -0.62 0.09 0.00 0.00 178.44 179.69 1r76 s ASP 383 N -6.13 6.25 -0.24 -0.43 -1.08 -1.26 -4.26 116.67 109.51 1r76 s ASP 383 Ca -0.13 -0.67 -0.05 0.00 -0.52 0.00 0.00 52.55 51.18 1r76 s ASP 383 Cb 0.18 -2.28 0.01 0.00 -1.46 0.00 0.00 42.92 39.36 1r76 s ASP 383 CO 0.82 -0.77 0.29 0.61 0.52 0.00 0.00 175.17 176.64 1r76 n GLY 384 N 5.11 -0.91 3.52 2.66 0.00 -1.26 -4.74 105.19 109.57 1r76 n GLY 384 Ca -0.05 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 1r76 n GLY 384 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r76 n ASN 385 N -0.69 0.41 -3.92 1.61 3.02 -0.93 -4.43 115.26 110.33 1r76 n ASN 385 Ca 0.04 -0.41 -0.10 0.00 -0.03 0.00 0.00 54.58 54.08 1r76 n ASN 385 Cb 0.30 -1.05 -0.10 0.00 -0.61 0.00 0.00 39.78 38.32 1r76 n ASN 385 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1r76 s LYS 386 N 8.29 0.50 0.26 3.52 -2.85 -1.25 -4.82 119.74 123.38 1r76 s LYS 386 Ca 1.21 -0.60 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 1r76 s LYS 386 Cb -0.76 0.20 -0.14 0.00 -2.06 0.00 0.00 37.83 35.07 1r76 s LYS 386 CO 0.41 -0.12 1.27 -2.30 0.10 0.00 0.00 175.35 174.71 1r76 n PRO 387 N 1.16 1.78 -4.19 1.78 -0.02 -1.26 -0.39 135.00 133.86 1r76 n PRO 387 Ca -0.21 0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 61.74 1r76 n PRO 387 Cb 0.57 -2.19 -0.14 0.00 -0.02 0.00 0.00 33.50 31.72 1r76 n PRO 387 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1r76 s VAL 388 N -0.47 0.52 0.29 -1.45 1.01 -0.72 -4.71 120.40 114.88 1r76 s VAL 388 Ca 0.65 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.21 1r76 s VAL 388 Cb -0.68 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1r76 s VAL 388 CO 0.54 0.04 0.14 -0.36 0.00 0.00 0.00 175.10 175.46 1r76 s PHE 389 N -0.40 1.59 0.35 5.22 0.40 -0.15 -4.35 117.98 120.64 1r76 s PHE 389 Ca 0.00 -1.30 -0.04 0.00 -0.60 0.00 0.00 56.93 55.00 1r76 s PHE 389 Cb -0.04 -0.89 0.02 0.00 0.51 0.00 0.00 43.02 42.61 1r76 s PHE 389 CO -0.00 -0.44 0.52 0.41 0.70 0.00 0.00 175.22 176.41 1r76 n GLY 390 N -0.56 1.95 3.27 4.36 0.00 -1.26 0.56 105.19 113.50 1r76 n GLY 390 Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 1r76 n GLY 390 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r76 s ASP 391 N -3.08 0.13 0.00 1.61 3.68 -1.05 -4.88 116.67 113.08 1r76 s ASP 391 Ca 0.26 -0.94 0.00 0.00 2.13 0.00 0.00 52.55 54.00 1r76 s ASP 391 Cb -0.02 0.38 0.00 0.00 -1.45 0.00 0.00 42.92 41.84 1r76 s ASP 391 CO 0.19 -0.82 0.41 0.54 0.13 0.00 0.00 175.17 175.61 1r76 n ARG 392 N -0.16 0.00 -1.01 4.34 1.74 -1.26 -2.40 116.66 117.91 1r76 n ARG 392 Ca -0.08 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 1r76 n ARG 392 Cb 0.63 -1.45 0.17 0.00 -1.02 0.00 0.00 32.46 30.79 1r76 n ARG 392 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1r76 n ASP 393 N -0.91 3.16 -0.59 0.55 5.75 -1.26 -4.85 116.55 118.41 1r76 n ASP 393 Ca 0.00 -3.77 -0.07 0.00 -0.01 0.00 0.00 54.79 50.94 1r76 n ASP 393 Cb 0.00 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.39 1r76 n ASP 393 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1r76 n LYS 394 N -1.09 -1.77 -3.70 0.11 5.02 -1.01 -4.95 118.16 110.77 1r76 n LYS 394 Ca 0.40 0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 57.03 1r76 n LYS 394 Cb 1.10 -4.99 -0.08 0.00 -0.02 0.00 0.00 35.03 31.04 1r76 n LYS 394 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1r76 s THR 395 N -1.53 5.39 -0.24 -0.18 -4.23 -1.26 0.20 115.64 113.79 1r76 s THR 395 Ca 0.00 0.27 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1r76 s THR 395 Cb 0.00 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1r76 s THR 395 CO 0.00 0.44 0.32 -0.63 -0.54 0.00 0.00 174.62 174.21 1r76 s ILE 396 N 0.31 5.23 0.54 2.99 1.01 0.28 -2.51 121.20 129.05 1r76 s ILE 396 Ca 0.10 0.50 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1r76 s ILE 396 Cb -0.11 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.73 1r76 s ILE 396 CO -0.00 0.24 0.30 -1.00 0.00 0.00 0.00 174.94 174.48 1r76 s HIS 397 N 1.54 1.68 -0.09 3.97 3.76 0.19 -0.57 115.29 125.77 1r76 s HIS 397 Ca 0.14 -0.87 0.16 0.00 -0.15 0.00 0.00 55.06 54.34 1r76 s HIS 397 Cb -0.15 -1.84 0.34 0.00 1.11 0.00 0.00 32.58 32.04 1r76 s HIS 397 CO 0.08 -0.30 1.16 -0.40 -0.85 0.00 0.00 174.74 174.43 1r76 n ASP 398 N -1.64 1.31 -3.62 1.40 5.75 -1.23 -0.98 116.55 117.54 1r76 n ASP 398 Ca -0.06 -2.85 -0.04 0.00 -0.01 0.00 0.00 54.79 51.83 1r76 n ASP 398 Cb 0.65 -0.39 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 1r76 n ASP 398 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1r76 s ASP 399 N -2.43 -0.87 0.45 -1.12 -4.77 -1.26 -4.95 116.67 101.72 1r76 s ASP 399 Ca 0.30 1.33 0.14 0.00 -3.30 0.00 0.00 52.55 51.02 1r76 s ASP 399 Cb 0.31 1.58 1.07 0.00 -1.09 0.00 0.00 42.92 44.79 1r76 s ASP 399 CO -0.08 -0.20 2.02 -0.37 0.70 0.00 0.00 175.17 177.24 1r76 h VAL 400 N 5.27 0.93 0.00 2.11 -1.51 -1.97 -0.18 116.25 120.89 1r76 h VAL 400 Ca -0.26 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1r76 h VAL 400 Cb 1.18 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1r76 h VAL 400 CO 0.15 0.06 0.00 0.23 -1.23 0.00 0.00 177.57 176.78 1r76 n MET 401 N -4.47 0.11 -1.11 5.19 2.81 -1.26 -2.31 117.12 116.07 1r76 n MET 401 Ca 0.07 0.17 -0.17 0.00 -1.81 0.00 0.00 57.70 55.96 1r76 n MET 401 Cb 0.31 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.53 1r76 n MET 401 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r76 n GLY 402 N 0.27 4.10 3.12 3.03 0.00 -0.08 -4.91 105.19 110.72 1r76 n GLY 402 Ca 0.06 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 1r76 n GLY 402 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r76 s ILE 403 N -3.06 0.93 0.22 -0.61 1.01 -0.98 -4.94 121.20 113.78 1r76 s ILE 403 Ca 0.54 -1.06 -0.32 0.00 0.00 0.00 0.00 60.65 59.81 1r76 s ILE 403 Cb 0.45 -0.89 -0.13 0.00 0.01 0.00 0.00 42.46 41.89 1r76 s ILE 403 CO 0.11 -0.15 1.46 -1.54 0.00 0.00 0.00 174.94 174.82 1r76 n SER 404 N 1.67 2.89 0.09 3.58 3.41 -1.26 -4.59 113.62 119.41 1r76 n SER 404 Ca -0.20 1.13 0.19 0.00 -0.26 0.00 0.00 58.87 59.73 1r76 n SER 404 Cb 0.55 -1.44 0.75 0.00 -0.26 0.00 0.00 64.21 63.81 1r76 n SER 404 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1r76 h GLN 405 N 4.65 0.00 -0.72 4.33 4.15 -1.94 0.55 115.11 126.13 1r76 h GLN 405 Ca -0.45 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.01 1r76 h GLN 405 Cb 1.27 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.92 1r76 h GLN 405 CO 0.79 0.00 0.48 1.49 -1.93 0.00 0.00 178.83 179.66 1r76 h GLU 406 N 0.00 0.82 0.00 1.69 4.22 -1.87 0.53 114.58 119.97 1r76 h GLU 406 Ca 0.18 -0.05 -0.20 0.00 0.08 0.00 0.00 59.36 59.37 1r76 h GLU 406 Cb 0.88 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1r76 h GLU 406 CO -0.00 0.54 -1.83 0.54 -2.18 0.00 0.00 179.01 176.08 1r76 n ARG 407 N -4.46 0.65 0.20 1.92 5.12 0.11 -3.91 116.66 116.29 1r76 n ARG 407 Ca 0.10 0.07 0.14 0.00 -1.93 0.00 0.00 57.85 56.23 1r76 n ARG 407 Cb 0.15 -1.67 0.53 0.00 -1.16 0.00 0.00 32.46 30.32 1r76 n ARG 407 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1r76 h ARG 408 N 0.00 0.00 -6.57 5.56 2.43 0.68 -3.38 114.38 113.09 1r76 h ARG 408 Ca -0.25 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.27 1r76 h ARG 408 Cb 1.68 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 31.06 1r76 h ARG 408 CO 0.03 0.00 -0.78 0.99 -1.51 0.00 0.00 179.97 178.70 1r76 s THR 409 N -3.44 2.73 0.00 0.20 2.01 0.18 -4.81 115.64 112.50 1r76 s THR 409 Ca 0.04 -1.82 0.00 0.00 0.31 0.00 0.00 61.69 60.22 1r76 s THR 409 Cb 0.09 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1r76 s THR 409 CO 0.51 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1r76 n GLY 410 N 0.25 2.31 3.74 4.40 0.00 -1.26 -4.80 105.19 109.84 1r76 n GLY 410 Ca -0.12 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1r76 n GLY 410 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r76 n TYR 411 N 0.00 2.73 -3.63 1.61 9.36 -1.26 -4.97 117.16 121.00 1r76 n TYR 411 Ca 0.00 0.37 -0.38 0.00 3.32 0.00 0.00 57.90 61.21 1r76 n TYR 411 Cb 0.00 -2.54 -0.11 0.00 -0.63 0.00 0.00 39.34 36.06 1r76 n TYR 411 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1r76 s ALA 412 N -0.45 3.39 -0.87 2.98 0.00 -1.26 -4.84 121.76 120.71 1r76 s ALA 412 Ca 0.61 -1.19 0.22 0.00 0.00 0.00 0.00 51.96 51.60 1r76 s ALA 412 Cb -0.52 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1r76 s ALA 412 CO 0.54 -0.65 1.03 0.91 0.00 0.00 0.00 175.76 177.59 1r76 n TRP 413 N 5.02 0.05 -4.35 0.00 7.02 -1.26 -4.77 117.44 119.15 1r76 n TRP 413 Ca -0.14 0.02 -0.21 0.00 -1.02 0.00 0.00 57.50 56.15 1r76 n TRP 413 Cb 0.51 -0.18 -0.11 0.00 -2.42 0.00 0.00 31.31 29.12 1r76 n TRP 413 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 1r76 s TYR 414 N -3.07 1.83 -0.06 -5.99 1.51 -1.26 0.26 117.35 110.58 1r76 s TYR 414 Ca 0.07 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 1r76 s TYR 414 Cb 0.16 -0.87 0.11 0.00 -0.11 0.00 0.00 41.96 41.25 1r76 s TYR 414 CO 0.82 0.39 0.95 -0.08 -1.11 0.00 0.00 175.55 176.51 1r76 s THR 415 N -2.49 0.00 -0.98 -0.71 -1.32 0.72 -4.78 115.64 106.09 1r76 s THR 415 Ca 0.20 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.83 1r76 s THR 415 Cb -0.04 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.86 1r76 s THR 415 CO 0.08 0.00 0.70 0.35 -2.21 0.00 0.00 174.62 173.54 1r76 n THR 416 N 0.01 0.00 -0.31 5.08 -2.24 -1.26 -0.71 114.28 114.84 1r76 n THR 416 Ca -0.08 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.52 1r76 n THR 416 Cb 0.60 1.07 0.15 0.00 -2.10 0.00 0.00 70.33 70.06 1r76 n THR 416 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1r76 h SER 417 N 0.70 -0.73 -1.29 3.42 0.02 -1.95 -1.71 113.55 112.01 1r76 h SER 417 Ca 0.00 0.26 0.37 0.00 -0.84 0.00 0.00 61.79 61.58 1r76 h SER 417 Cb 0.42 0.52 -0.06 0.00 0.14 0.00 0.00 62.40 63.42 1r76 h SER 417 CO 0.00 -0.29 0.91 -0.65 -1.14 0.00 0.00 176.83 175.66 1r76 h PRO 418 N 0.01 0.05 -1.13 3.45 0.11 -1.86 -1.94 132.00 130.70 1r76 h PRO 418 Ca 0.45 -0.00 0.33 0.00 0.11 0.00 0.00 66.00 66.88 1r76 h PRO 418 Cb 0.74 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 31.73 1r76 h PRO 418 CO -0.89 0.04 0.72 0.37 -0.21 0.00 0.00 178.00 178.03 1r76 h GLN 419 N 0.05 0.27 -0.77 1.05 5.75 -1.68 0.91 115.11 120.70 1r76 h GLN 419 Ca 0.64 -0.02 0.18 0.00 -0.15 0.00 0.00 58.65 59.30 1r76 h GLN 419 Cb 2.40 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 30.84 1r76 h GLN 419 CO -0.07 0.18 0.52 0.87 -2.65 0.00 0.00 178.83 177.68 1r76 h LYS 420 N 0.28 0.26 0.00 1.69 1.79 -1.57 0.86 116.57 119.88 1r76 h LYS 420 Ca 0.68 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 59.09 1r76 h LYS 420 Cb 1.88 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.46 1r76 h LYS 420 CO -0.36 0.17 -0.20 0.00 -1.08 0.00 0.00 179.45 177.99 1r76 h ALA 421 N 1.64 0.89 0.11 3.86 0.00 -1.04 -3.00 119.26 121.72 1r76 h ALA 421 Ca 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1r76 h ALA 421 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1r76 h ALA 421 CO -0.09 0.25 -0.05 -0.07 0.00 0.00 0.00 179.25 179.28 1r76 h LEU 422 N 0.00 -0.12 -1.85 0.00 3.38 -0.89 -1.29 115.31 114.54 1r76 h LEU 422 Ca -0.00 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.68 1r76 h LEU 422 Cb 1.05 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1r76 h LEU 422 CO 0.03 0.50 0.26 0.28 0.09 0.00 0.00 178.44 179.59 1r76 h SER 423 N -0.95 0.16 -0.12 -0.43 0.02 -1.59 -1.54 113.55 109.09 1r76 h SER 423 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 1r76 h SER 423 Cb 0.48 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1r76 h SER 423 CO 0.02 0.10 -0.35 0.00 -1.14 0.00 0.00 176.83 175.47 1r76 h ALA 424 N 1.81 0.21 -0.89 3.77 0.00 -1.56 -3.22 119.26 119.37 1r76 h ALA 424 Ca 0.17 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1r76 h ALA 424 Cb 0.44 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1r76 h ALA 424 CO -0.03 0.27 0.58 0.35 0.00 0.00 0.00 179.25 180.43 1r76 h PHE 425 N 0.05 0.99 -0.04 0.00 3.57 -0.22 -2.15 116.94 119.12 1r76 h PHE 425 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1r76 h PHE 425 Cb 0.97 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1r76 h PHE 425 CO 0.11 0.48 -0.11 1.15 -2.23 0.00 0.00 178.31 177.71 1r76 h THR 426 N 0.93 0.00 0.00 4.41 2.02 -1.44 0.52 112.91 119.35 1r76 h THR 426 Ca 0.40 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.58 1r76 h THR 426 Cb 0.33 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1r76 h THR 426 CO -0.17 0.00 -0.02 0.11 0.37 0.00 0.00 175.52 175.82 1r76 h LYS 427 N -0.11 0.00 -0.03 6.66 1.57 -1.65 -3.09 116.57 119.93 1r76 h LYS 427 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1r76 h LYS 427 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1r76 h LYS 427 CO -0.09 0.02 -0.34 2.35 -0.57 0.00 0.00 179.45 180.82 1r76 h TRP 428 N 0.00 0.39 -0.95 -1.35 7.01 -0.58 -3.31 115.95 117.15 1r76 h TRP 428 Ca -0.00 -0.19 0.21 0.00 2.11 0.00 0.00 58.89 61.01 1r76 h TRP 428 Cb 0.21 -0.05 -0.11 0.00 -2.10 0.00 0.00 29.16 27.11 1r76 h TRP 428 CO 0.00 0.97 0.52 1.49 -2.79 0.00 0.00 178.44 178.63 1r76 h GLU 429 N -0.30 0.58 0.00 2.65 4.57 -0.85 -3.14 114.58 118.08 1r76 h GLU 429 Ca -0.04 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1r76 h GLU 429 Cb 1.04 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1r76 h GLU 429 CO 0.07 0.38 0.00 1.63 -1.18 0.00 0.00 179.01 179.91 1r76 n LYS 430 N -4.89 0.00 -1.90 1.92 5.02 -1.25 -3.29 118.16 113.78 1r76 n LYS 430 Ca 0.23 0.44 -0.41 0.00 -2.02 0.00 0.00 58.31 56.55 1r76 n LYS 430 Cb 0.62 -1.08 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 1r76 n LYS 430 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1r76 n ARG 431 N -1.15 2.61 0.00 1.97 0.63 -1.19 -5.19 116.66 114.34 1r76 n ARG 431 Ca 0.00 -2.65 0.00 0.00 -0.92 0.00 0.00 57.85 54.28 1r76 n ARG 431 Cb 0.00 -3.32 0.00 0.00 0.45 0.00 0.00 32.46 29.59 1r76 n ARG 431 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55