#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nks s LYS 2 N 0.00 4.42 -0.21 0.03 1.02 0.02 -4.87 119.74 120.15 1nks s LYS 2 Ca 0.00 1.09 -0.07 0.00 0.02 0.00 0.00 55.97 57.01 1nks s LYS 2 Cb 0.00 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1nks s LYS 2 CO 0.00 -0.11 0.07 0.42 -0.92 0.00 0.00 175.35 174.81 1nks s ILE 3 N 1.35 4.57 -0.14 2.17 1.01 -1.26 -0.13 121.20 128.76 1nks s ILE 3 Ca 0.42 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1nks s ILE 3 Cb -0.18 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.21 1nks s ILE 3 CO 0.19 0.40 -0.16 -0.83 0.00 0.00 0.00 174.94 174.54 1nks s GLY 4 N 0.93 1.18 -0.25 6.18 0.00 -0.58 -0.87 107.32 113.92 1nks s GLY 4 Ca 0.04 -0.94 -0.15 0.00 0.00 0.00 0.00 44.72 43.66 1nks s GLY 4 CO 0.03 0.34 0.39 -0.42 0.00 0.00 0.00 173.10 173.44 1nks s ILE 5 N 1.25 5.18 -0.26 0.90 1.01 -0.37 -0.95 121.20 127.95 1nks s ILE 5 Ca 0.01 0.63 -0.10 0.00 0.00 0.00 0.00 60.65 61.19 1nks s ILE 5 Cb -0.14 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1nks s ILE 5 CO -0.08 0.19 0.16 -0.69 0.00 0.00 0.00 174.94 174.52 1nks s VAL 6 N 1.82 5.14 0.28 2.92 1.01 0.33 0.17 120.40 132.07 1nks s VAL 6 Ca 0.17 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.32 1nks s VAL 6 Cb -0.15 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1nks s VAL 6 CO 0.09 0.29 -0.06 0.42 0.00 0.00 0.00 175.10 175.83 1nks s THR 7 N 1.57 1.70 0.00 3.92 -4.23 -0.60 -1.09 115.64 116.90 1nks s THR 7 Ca 0.07 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1nks s THR 7 Cb -0.15 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1nks s THR 7 CO 0.08 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1nks n GLY 8 N -0.60 1.83 3.82 3.99 0.00 -1.22 -0.68 105.19 112.33 1nks n GLY 8 Ca -0.05 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1nks n GLY 8 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nks s ILE 9 N -2.00 4.19 0.17 -0.61 -4.36 -1.26 -4.76 121.20 112.57 1nks s ILE 9 Ca 0.00 1.25 -0.32 0.00 -0.26 0.00 0.00 60.65 61.31 1nks s ILE 9 Cb 0.00 -3.56 -0.16 0.00 1.25 0.00 0.00 42.46 39.99 1nks s ILE 9 CO 0.00 -0.41 1.06 -2.65 0.24 0.00 0.00 174.94 173.18 1nks n PRO 10 N -1.12 0.93 -0.78 0.37 -0.02 -1.26 -2.13 135.00 130.98 1nks n PRO 10 Ca 0.08 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1nks n PRO 10 Cb 0.53 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1nks n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nks n GLY 11 N 1.89 0.57 0.10 -1.23 0.00 -1.26 -4.95 105.19 100.31 1nks n GLY 11 Ca 0.15 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1nks n GLY 11 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nks n VAL 12 N -2.78 0.68 0.00 1.61 0.24 -0.91 -4.56 118.33 112.61 1nks n VAL 12 Ca 0.00 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1nks n VAL 12 Cb 0.00 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 1nks n VAL 12 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nks n GLY 13 N 1.22 1.48 0.30 7.63 0.00 -1.26 -4.89 105.19 109.67 1nks n GLY 13 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1nks n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nks h LYS 14 N 0.74 0.08 -0.18 1.61 3.64 -1.93 0.39 116.57 120.92 1nks h LYS 14 Ca 0.00 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1nks h LYS 14 Cb 0.00 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1nks h LYS 14 CO 0.00 0.05 -0.67 0.66 -2.27 0.00 0.00 179.45 177.22 1nks h SER 15 N 0.08 0.90 0.16 4.20 4.64 -1.98 -1.33 113.55 120.23 1nks h SER 15 Ca 0.46 -0.60 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1nks h SER 15 Cb 0.85 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1nks h SER 15 CO -0.75 1.35 -0.08 0.74 -0.87 0.00 0.00 176.83 177.23 1nks h THR 16 N 0.50 0.85 -0.95 2.95 2.02 -1.52 0.57 112.91 117.34 1nks h THR 16 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1nks h THR 16 Cb 1.29 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 1nks h THR 16 CO 0.14 0.01 0.60 0.58 0.37 0.00 0.00 175.52 177.21 1nks h VAL 17 N -0.23 1.25 -0.02 3.16 2.07 -0.34 -2.22 116.25 119.92 1nks h VAL 17 Ca -0.02 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 1nks h VAL 17 Cb 0.18 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1nks h VAL 17 CO 0.04 0.26 -0.55 -0.07 0.02 0.00 0.00 177.57 177.26 1nks h LEU 18 N 1.30 0.07 -0.34 2.57 3.38 -1.02 -1.77 115.31 119.50 1nks h LEU 18 Ca 0.34 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1nks h LEU 18 Cb -0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1nks h LEU 18 CO -0.07 0.61 0.20 0.00 0.09 0.00 0.00 178.44 179.27 1nks h ALA 19 N 1.39 0.44 -0.23 1.53 0.00 -0.30 -1.61 119.26 120.47 1nks h ALA 19 Ca -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1nks h ALA 19 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1nks h ALA 19 CO 0.08 -0.05 -0.13 -0.22 0.00 0.00 0.00 179.25 178.92 1nks h LYS 20 N 0.44 0.38 -0.35 0.00 1.63 -1.17 -1.34 116.57 116.16 1nks h LYS 20 Ca 0.12 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1nks h LYS 20 Cb 0.04 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1nks h LYS 20 CO -0.02 0.52 0.18 0.28 -3.45 0.00 0.00 179.45 176.96 1nks h VAL 21 N 0.36 1.15 0.22 2.00 2.07 -0.55 0.40 116.25 121.90 1nks h VAL 21 Ca 0.07 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1nks h VAL 21 Cb 0.46 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1nks h VAL 21 CO 0.03 0.16 -0.11 0.50 0.02 0.00 0.00 177.57 178.17 1nks h LYS 22 N 0.43 -0.29 0.04 1.57 3.64 -0.88 0.40 116.57 121.48 1nks h LYS 22 Ca 0.12 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1nks h LYS 22 Cb 0.10 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1nks h LYS 22 CO -0.02 -0.18 -0.15 1.49 -2.27 0.00 0.00 179.45 178.32 1nks h GLU 23 N -0.31 -0.21 -0.56 1.90 4.81 -1.10 0.58 114.58 119.69 1nks h GLU 23 Ca -0.03 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 1nks h GLU 23 Cb 0.24 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.56 1nks h GLU 23 CO 0.05 -0.14 -0.20 0.82 -0.73 0.00 0.00 179.01 178.81 1nks h ILE 24 N -0.22 0.35 -0.52 2.32 2.04 -0.88 -1.34 117.51 119.27 1nks h ILE 24 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1nks h ILE 24 Cb 0.22 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1nks h ILE 24 CO -0.08 0.00 0.12 -0.07 0.00 0.00 0.00 178.15 178.13 1nks h LEU 25 N -0.06 0.79 -0.12 1.44 3.38 -0.44 -3.10 115.31 117.20 1nks h LEU 25 Ca 0.26 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1nks h LEU 25 Cb 0.47 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1nks h LEU 25 CO -0.60 0.82 0.02 0.44 0.09 0.00 0.00 178.44 179.20 1nks h ASP 26 N 0.72 -0.00 0.00 -0.43 3.32 0.12 -1.24 116.42 118.91 1nks h ASP 26 Ca 0.16 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1nks h ASP 26 Cb 0.34 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1nks h ASP 26 CO 0.00 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 1nks n ASN 27 N -5.09 1.42 0.00 6.45 3.02 -0.69 0.26 115.26 120.63 1nks n ASN 27 Ca -0.04 -1.33 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 1nks n ASN 27 Cb 0.06 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1nks n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nks n GLN 28 N 0.45 0.00 -3.56 3.52 6.02 -0.89 -5.00 117.38 117.92 1nks n GLN 28 Ca 0.00 -0.16 -0.26 0.00 -0.01 0.00 0.00 57.00 56.57 1nks n GLN 28 Cb 0.26 -0.42 0.04 0.00 1.02 0.00 0.00 30.24 31.14 1nks n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nks n GLY 29 N 0.00 -0.51 3.83 1.08 0.00 0.14 -5.00 105.19 104.72 1nks n GLY 29 Ca 0.00 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1nks n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nks s ILE 30 N -3.22 5.32 0.13 -0.61 1.01 -0.52 -5.01 121.20 118.29 1nks s ILE 30 Ca 0.53 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 61.01 1nks s ILE 30 Cb -0.25 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 1nks s ILE 30 CO 0.65 0.59 1.47 0.21 0.00 0.00 0.00 174.94 177.86 1nks s ASN 31 N -0.78 6.73 -0.28 3.58 2.47 -1.26 -4.39 114.94 121.00 1nks s ASN 31 Ca 0.13 2.43 -0.15 0.00 0.42 0.00 0.00 52.86 55.70 1nks s ASN 31 Cb -0.12 -2.59 0.09 0.00 -1.45 0.00 0.00 41.25 37.18 1nks s ASN 31 CO 0.03 -0.73 0.67 0.54 -3.72 0.00 0.00 177.10 173.89 1nks s ASN 32 N 1.22 -0.97 -0.03 -4.21 2.20 -1.26 -1.69 114.94 110.19 1nks s ASN 32 Ca 0.67 1.51 -0.00 0.00 -0.94 0.00 0.00 52.86 54.09 1nks s ASN 32 Cb -0.39 1.55 -0.04 0.00 -2.00 0.00 0.00 41.25 40.38 1nks s ASN 32 CO 0.30 -0.23 0.02 -0.75 -2.94 0.00 0.00 177.10 173.50 1nks s LYS 33 N 1.89 2.93 -0.19 3.55 2.20 -0.77 -5.01 119.74 124.35 1nks s LYS 33 Ca -0.09 -0.50 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1nks s LYS 33 Cb -0.07 -2.77 0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1nks s LYS 33 CO -0.20 0.66 -0.13 0.42 -0.36 0.00 0.00 175.35 175.75 1nks s ILE 34 N -1.04 1.74 -0.08 5.43 1.01 -1.26 -2.12 121.20 124.89 1nks s ILE 34 Ca 0.18 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1nks s ILE 34 Cb -0.12 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1nks s ILE 34 CO 0.08 0.26 -0.18 -0.63 0.00 0.00 0.00 174.94 174.48 1nks s ILE 35 N 1.37 2.69 -0.26 2.92 1.01 -0.94 -5.02 121.20 122.97 1nks s ILE 35 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.67 1nks s ILE 35 Cb -0.15 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1nks s ILE 35 CO -0.09 0.56 0.36 0.21 0.00 0.00 0.00 174.94 175.98 1nks s ASN 36 N -0.19 6.27 0.15 3.58 3.84 -1.26 -0.06 114.94 127.28 1nks s ASN 36 Ca -0.01 0.32 -0.17 0.00 0.21 0.00 0.00 52.86 53.21 1nks s ASN 36 Cb -0.13 -2.21 0.02 0.00 -0.55 0.00 0.00 41.25 38.38 1nks s ASN 36 CO 0.03 -0.15 1.79 0.22 -2.79 0.00 0.00 177.10 176.20 1nks h TYR 37 N 7.99 0.38 -0.96 0.43 5.03 -1.42 -2.69 116.97 125.73 1nks h TYR 37 Ca -0.33 0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.12 1nks h TYR 37 Cb 1.16 -0.12 -0.09 0.00 1.55 0.00 0.00 36.73 39.24 1nks h TYR 37 CO 0.74 0.22 0.58 0.78 -1.32 0.00 0.00 178.16 179.16 1nks h GLY 38 N 0.41 1.58 0.90 1.82 0.00 -1.94 -1.52 103.07 104.31 1nks h GLY 38 Ca 0.14 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1nks h GLY 38 CO -0.07 0.10 0.52 -0.55 0.00 0.00 0.00 176.54 176.54 1nks h ASP 39 N 0.89 0.87 0.44 0.19 3.32 -1.86 -0.77 116.42 119.50 1nks h ASP 39 Ca 0.49 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.44 1nks h ASP 39 Cb 0.54 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1nks h ASP 39 CO -0.29 0.60 -0.41 -0.26 -1.72 0.00 0.00 179.24 177.16 1nks h PHE 40 N 1.02 0.00 -0.12 4.55 -1.00 -1.22 -1.80 116.94 118.38 1nks h PHE 40 Ca 0.32 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.03 1nks h PHE 40 Cb -0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.55 1nks h PHE 40 CO -0.03 0.41 -0.21 0.52 -1.61 0.00 0.00 178.31 177.40 1nks h MET 41 N 0.00 0.35 -0.69 1.51 2.86 -0.95 -3.07 114.93 114.94 1nks h MET 41 Ca -0.00 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1nks h MET 41 Cb 0.75 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 1nks h MET 41 CO 0.05 0.81 0.44 1.25 1.06 0.00 0.00 176.91 180.52 1nks h LEU 42 N -0.07 0.72 -0.21 1.22 5.85 -1.06 -0.34 115.31 121.42 1nks h LEU 42 Ca 0.01 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1nks h LEU 42 Cb 0.79 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1nks h LEU 42 CO 0.05 0.51 -0.17 0.00 -0.34 0.00 0.00 178.44 178.49 1nks h ALA 43 N 1.29 -0.03 -0.04 1.25 0.00 -1.34 0.53 119.26 120.91 1nks h ALA 43 Ca 0.27 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1nks h ALA 43 Cb -0.01 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1nks h ALA 43 CO -0.10 -0.59 -0.41 1.15 0.00 0.00 0.00 179.25 179.30 1nks h THR 44 N -0.17 1.31 -0.41 0.00 2.02 -1.29 -2.89 112.91 111.47 1nks h THR 44 Ca 0.12 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 1nks h THR 44 Cb 0.36 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1nks h THR 44 CO -0.31 0.43 -0.10 0.00 0.37 0.00 0.00 175.52 175.91 1nks h ALA 45 N 1.51 1.07 -0.07 6.16 0.00 0.17 -1.66 119.26 126.44 1nks h ALA 45 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1nks h ALA 45 Cb 0.77 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nks h ALA 45 CO 0.06 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 1nks h LEU 46 N 0.65 0.12 -0.63 0.00 -0.00 -0.75 -1.22 115.31 113.48 1nks h LEU 46 Ca 0.12 -0.30 0.02 0.00 -0.00 0.00 0.00 57.88 57.72 1nks h LEU 46 Cb 0.55 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.14 1nks h LEU 46 CO 0.03 0.39 0.40 0.11 -0.00 0.00 0.00 178.44 179.37 1nks h LYS 47 N -0.15 0.77 -0.00 1.13 1.57 -1.36 -2.90 116.57 115.63 1nks h LYS 47 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nks h LYS 47 Cb 0.33 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1nks h LYS 47 CO 0.00 0.51 -0.14 1.28 -0.57 0.00 0.00 179.45 180.54 1nks n LEU 48 N -4.69 0.38 0.00 2.94 4.77 -0.64 -4.93 117.00 114.83 1nks n LEU 48 Ca 0.06 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1nks n LEU 48 Cb 0.06 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1nks n LEU 48 CO 0.34 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1nks n GLY 49 N 1.34 0.93 0.35 -0.72 0.00 -0.52 -4.92 105.19 101.66 1nks n GLY 49 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1nks n GLY 49 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nks h TYR 50 N 0.00 0.46 -2.18 1.61 -1.99 -1.70 -3.45 116.97 109.71 1nks h TYR 50 Ca 0.00 0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.84 1nks h TYR 50 Cb 0.00 -0.15 -0.16 0.00 2.00 0.00 0.00 36.73 38.42 1nks h TYR 50 CO 0.00 0.23 0.48 0.00 -0.00 0.00 0.00 178.16 178.87 1nks s ALA 51 N -5.42 -1.83 -0.08 3.88 0.00 -1.21 -5.00 121.76 112.11 1nks s ALA 51 Ca -0.08 1.10 0.09 0.00 0.00 0.00 0.00 51.96 53.07 1nks s ALA 51 Cb 0.19 0.25 -0.13 0.00 0.00 0.00 0.00 23.12 23.43 1nks s ALA 51 CO 0.75 -0.62 0.08 1.63 0.00 0.00 0.00 175.76 177.59 1nks n LYS 52 N -0.06 1.97 -4.22 0.00 5.02 -1.26 -3.81 118.16 115.80 1nks n LYS 52 Ca -0.10 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 1nks n LYS 52 Cb 0.61 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 1nks n LYS 52 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1nks s ASP 53 N -3.97 1.62 0.19 4.39 1.47 -1.26 -5.00 116.67 114.11 1nks s ASP 53 Ca -0.05 -0.99 -0.12 0.00 1.18 0.00 0.00 52.55 52.58 1nks s ASP 53 Cb 0.04 0.01 0.18 0.00 -0.34 0.00 0.00 42.92 42.81 1nks s ASP 53 CO 0.40 -0.35 1.78 0.08 0.68 0.00 0.00 175.17 177.76 1nks h ARG 54 N 2.92 0.47 0.00 2.11 0.11 -1.97 -2.47 114.38 115.54 1nks h ARG 54 Ca -0.36 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1nks h ARG 54 Cb 1.18 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.16 1nks h ARG 54 CO 0.62 0.31 0.00 -0.25 0.10 0.00 0.00 179.97 180.75 1nks n ASP 55 N -4.91 0.44 0.11 0.08 9.92 -1.26 -1.66 116.55 119.27 1nks n ASP 55 Ca 0.06 0.68 0.12 0.00 -0.53 0.00 0.00 54.79 55.11 1nks n ASP 55 Cb 0.17 -0.75 0.02 0.00 -0.64 0.00 0.00 41.12 39.92 1nks n ASP 55 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1nks h GLU 56 N 0.00 0.00 -0.30 -1.24 4.81 -1.87 -3.38 114.58 112.60 1nks h GLU 56 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1nks h GLU 56 Cb 0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1nks h GLU 56 CO 0.00 0.00 -0.26 0.52 -0.73 0.00 0.00 179.01 178.54 1nks h MET 57 N 0.00 0.60 0.00 1.92 2.86 -1.35 -2.86 114.93 116.09 1nks h MET 57 Ca 0.00 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1nks h MET 57 Cb 0.99 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.62 1nks h MET 57 CO 0.00 0.80 0.00 2.89 1.06 0.00 0.00 176.91 181.66 1nks n ARG 58 N -4.10 0.13 0.00 1.72 1.85 -1.26 -2.60 116.66 112.40 1nks n ARG 58 Ca -0.00 0.12 0.11 0.00 -1.00 0.00 0.00 57.85 57.07 1nks n ARG 58 Cb 0.43 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.36 1nks n ARG 58 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1nks n LYS 59 N -1.41 1.50 -1.05 2.89 4.76 -1.08 -4.31 118.16 119.46 1nks n LYS 59 Ca 0.07 -1.20 -0.29 0.00 -2.87 0.00 0.00 58.31 54.03 1nks n LYS 59 Cb 0.21 -1.45 0.19 0.00 -1.84 0.00 0.00 35.03 32.14 1nks n LYS 59 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nks s LEU 60 N -2.30 1.44 0.69 -0.35 1.43 -1.07 -4.93 118.68 113.58 1nks s LEU 60 Ca 0.20 1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 54.41 1nks s LEU 60 Cb 0.18 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 43.04 1nks s LEU 60 CO 0.49 -3.35 1.10 -0.94 0.23 0.00 0.00 176.35 173.87 1nks s SER 61 N -3.28 5.04 0.24 2.29 1.04 -1.26 -4.79 113.70 112.96 1nks s SER 61 Ca 0.66 1.90 -0.06 0.00 0.48 0.00 0.00 55.95 58.93 1nks s SER 61 Cb -0.20 -2.54 0.33 0.00 0.10 0.00 0.00 66.02 63.72 1nks s SER 61 CO 0.59 -1.68 1.83 0.58 0.98 0.00 0.00 173.24 175.54 1nks h VAL 62 N -0.30 0.99 -0.59 5.02 2.07 -1.97 -0.82 116.25 120.65 1nks h VAL 62 Ca -0.46 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1nks h VAL 62 Cb 1.24 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1nks h VAL 62 CO 0.54 0.16 0.17 1.05 0.02 0.00 0.00 177.57 179.51 1nks h GLU 63 N 0.86 0.89 -0.03 1.57 4.11 -2.00 -1.21 114.58 118.77 1nks h GLU 63 Ca 0.37 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 1nks h GLU 63 Cb 0.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1nks h GLU 63 CO -0.20 0.78 0.00 0.87 0.07 0.00 0.00 179.01 180.53 1nks h LYS 64 N 0.87 0.05 -0.60 1.06 1.57 -1.65 -2.92 116.57 114.95 1nks h LYS 64 Ca 0.19 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1nks h LYS 64 Cb 0.27 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1nks h LYS 64 CO -0.01 0.31 0.40 1.96 -0.57 0.00 0.00 179.45 181.55 1nks h GLN 65 N -0.23 0.64 -0.27 3.15 4.20 -0.95 -1.66 115.11 119.98 1nks h GLN 65 Ca 0.01 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.59 1nks h GLN 65 Cb 0.29 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1nks h GLN 65 CO 0.00 0.42 -0.23 0.87 -0.67 0.00 0.00 178.83 179.22 1nks h LYS 66 N 0.66 0.52 -0.18 1.46 1.57 -1.07 -0.05 116.57 119.47 1nks h LYS 66 Ca 0.25 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1nks h LYS 66 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1nks h LYS 66 CO -0.07 0.71 0.10 -0.22 -0.57 0.00 0.00 179.45 179.40 1nks h LYS 67 N 0.46 0.25 -0.41 3.15 3.11 -1.13 -1.21 116.57 120.79 1nks h LYS 67 Ca 0.07 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.89 1nks h LYS 67 Cb 0.65 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.81 1nks h LYS 67 CO 0.05 0.25 0.26 -0.07 -2.81 0.00 0.00 179.45 177.13 1nks h LEU 68 N 0.19 0.44 -0.31 5.20 3.38 -1.31 -1.75 115.31 121.15 1nks h LEU 68 Ca 0.06 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1nks h LEU 68 Cb 0.07 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1nks h LEU 68 CO -0.01 0.32 0.16 1.56 0.09 0.00 0.00 178.44 180.55 1nks h GLN 69 N 0.53 0.32 -0.51 1.13 4.20 -0.58 -1.81 115.11 118.38 1nks h GLN 69 Ca 0.16 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1nks h GLN 69 Cb -0.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1nks h GLN 69 CO -0.05 0.21 -0.09 0.82 -0.67 0.00 0.00 178.83 179.05 1nks h ILE 70 N 0.33 1.26 -0.13 2.54 2.04 -1.06 -2.04 117.51 120.46 1nks h ILE 70 Ca 0.13 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.78 1nks h ILE 70 Cb 0.04 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1nks h ILE 70 CO -0.09 0.43 0.05 -0.78 0.00 0.00 0.00 178.15 177.76 1nks h ASP 71 N 0.85 0.06 0.02 1.72 3.58 -1.06 -0.55 116.42 121.04 1nks h ASP 71 Ca 0.14 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.54 1nks h ASP 71 Cb 0.63 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 1nks h ASP 71 CO 0.04 0.06 -0.17 0.00 -2.88 0.00 0.00 179.24 176.29 1nks h ALA 72 N 1.08 1.40 -0.15 -0.78 0.00 -1.29 -1.89 119.26 117.63 1nks h ALA 72 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1nks h ALA 72 Cb 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1nks h ALA 72 CO -0.05 0.42 -0.25 0.00 0.00 0.00 0.00 179.25 179.36 1nks h ALA 73 N 1.56 0.23 -0.47 0.00 0.00 -0.92 -0.48 119.26 119.19 1nks h ALA 73 Ca 0.05 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1nks h ALA 73 Cb 0.46 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1nks h ALA 73 CO 0.03 0.21 0.13 0.87 0.00 0.00 0.00 179.25 180.49 1nks h LYS 74 N 0.06 0.27 -0.99 0.00 1.57 -0.85 -1.36 116.57 115.27 1nks h LYS 74 Ca 0.01 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1nks h LYS 74 Cb 0.83 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 1nks h LYS 74 CO 0.06 0.18 0.65 0.78 -0.57 0.00 0.00 179.45 180.55 1nks h GLY 75 N 0.28 1.41 2.00 3.86 0.00 -1.27 -2.90 103.07 106.45 1nks h GLY 75 Ca 0.23 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1nks h GLY 75 CO -0.27 0.47 -0.36 -2.22 0.00 0.00 0.00 176.54 174.16 1nks h ILE 76 N 1.30 0.62 -0.46 2.60 2.04 -0.16 -3.16 117.51 120.29 1nks h ILE 76 Ca 0.38 -1.87 -0.13 0.00 1.00 0.00 0.00 64.86 64.23 1nks h ILE 76 Cb -0.08 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1nks h ILE 76 CO -0.10 0.35 -0.23 0.00 0.00 0.00 0.00 178.15 178.18 1nks h ALA 77 N 1.64 0.71 -0.81 1.87 0.00 -1.09 -2.51 119.26 119.07 1nks h ALA 77 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1nks h ALA 77 Cb 1.27 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1nks h ALA 77 CO 0.05 0.67 0.51 1.49 0.00 0.00 0.00 179.25 181.97 1nks h GLU 78 N 0.83 0.96 0.00 0.00 4.81 -1.54 -1.31 114.58 118.31 1nks h GLU 78 Ca 0.11 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1nks h GLU 78 Cb 0.80 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1nks h GLU 78 CO 0.07 0.63 -0.11 1.49 -0.73 0.00 0.00 179.01 180.36 1nks h GLU 79 N 0.98 0.00 0.17 1.92 4.57 -1.47 -2.72 114.58 118.04 1nks h GLU 79 Ca 0.33 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.20 1nks h GLU 79 Cb 0.04 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1nks h GLU 79 CO -0.12 0.11 -1.40 0.00 -1.18 0.00 0.00 179.01 176.42 1nks h ALA 80 N 1.89 0.04 -0.55 2.92 0.00 -0.83 -3.32 119.26 119.41 1nks h ALA 80 Ca -0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 54.91 53.90 1nks h ALA 80 Cb 0.78 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1nks h ALA 80 CO 0.01 0.91 0.05 0.00 0.00 0.00 0.00 179.25 180.22 1nks h ARG 81 N 0.10 0.94 -2.19 0.00 3.08 -1.38 -3.24 114.38 111.69 1nks h ARG 81 Ca -0.21 -0.28 -0.66 0.00 0.07 0.00 0.00 59.98 58.91 1nks h ARG 81 Cb 2.06 -0.10 -0.20 0.00 0.08 0.00 0.00 29.97 31.81 1nks h ARG 81 CO 0.22 0.93 1.13 0.00 -1.07 0.00 0.00 179.97 181.18 1nks n ALA 82 N -2.44 6.51 -0.51 0.04 0.00 -1.03 -4.11 120.51 118.97 1nks n ALA 82 Ca 0.02 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1nks n ALA 82 Cb 0.30 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1nks n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nks n GLY 83 N 0.67 1.00 7.00 0.00 0.00 -1.22 -4.91 105.19 107.73 1nks n GLY 83 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1nks n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nks n GLY 84 N 0.00 3.58 3.97 -0.02 0.00 -1.26 -4.76 105.19 106.70 1nks n GLY 84 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 1nks n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nks s GLU 85 N 0.00 3.17 0.00 1.61 2.56 -1.26 -1.83 118.70 122.96 1nks s GLU 85 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 54.97 54.25 1nks s GLU 85 Cb 0.00 -2.72 0.00 0.00 2.00 0.00 0.00 34.13 33.41 1nks s GLU 85 CO 0.00 -0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.10 1nks n GLY 86 N -1.79 -0.37 3.51 -1.50 0.00 -1.26 -4.76 105.19 99.03 1nks n GLY 86 Ca -0.01 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.45 1nks n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 87 N 0.00 3.04 -0.33 1.61 2.02 -0.68 -0.80 117.35 122.20 1nks s TYR 87 Ca 0.00 -0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1nks s TYR 87 Cb 0.00 -1.95 0.06 0.00 -0.40 0.00 0.00 41.96 39.67 1nks s TYR 87 CO 0.00 0.00 0.07 -1.17 -1.57 0.00 0.00 175.55 172.89 1nks s LEU 88 N 0.29 4.31 -0.12 -1.29 2.96 0.81 -1.84 118.68 123.79 1nks s LEU 88 Ca -0.03 -1.38 -0.17 0.00 -0.22 0.00 0.00 54.13 52.33 1nks s LEU 88 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1nks s LEU 88 CO 0.03 -0.34 0.43 -0.36 -1.32 0.00 0.00 176.35 174.78 1nks s PHE 89 N 1.28 3.51 -0.23 5.38 0.08 -0.90 -1.52 117.98 125.58 1nks s PHE 89 Ca -0.01 0.82 -0.08 0.00 0.12 0.00 0.00 56.93 57.77 1nks s PHE 89 Cb -0.20 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 1nks s PHE 89 CO -0.00 0.21 0.09 0.42 -0.10 0.00 0.00 175.22 175.84 1nks s ILE 90 N 0.50 4.69 -0.35 0.64 1.01 -0.13 -2.22 121.20 125.34 1nks s ILE 90 Ca 0.23 -0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.68 1nks s ILE 90 Cb -0.15 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 1nks s ILE 90 CO 0.09 0.37 0.35 -0.62 0.00 0.00 0.00 174.94 175.12 1nks s ASP 91 N 1.16 6.16 0.00 3.58 2.15 0.92 0.12 116.67 130.76 1nks s ASP 91 Ca 0.05 -0.33 0.00 0.00 0.43 0.00 0.00 52.55 52.70 1nks s ASP 91 Cb -0.14 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1nks s ASP 91 CO 0.04 -0.35 0.00 1.07 -0.17 0.00 0.00 175.17 175.76 1nks n THR 92 N 5.23 0.00 -4.63 1.71 5.66 -0.25 -0.94 114.28 121.06 1nks n THR 92 Ca -0.10 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.62 1nks n THR 92 Cb 0.49 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.13 1nks n THR 92 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1nks s HIS 93 N -4.36 2.23 0.07 1.09 3.76 -1.26 -3.40 115.29 113.42 1nks s HIS 93 Ca 0.00 -0.40 -0.09 0.00 -0.15 0.00 0.00 55.06 54.43 1nks s HIS 93 Cb 0.00 -1.27 -0.28 0.00 1.11 0.00 0.00 32.58 32.13 1nks s HIS 93 CO 0.00 0.22 1.12 0.00 -0.85 0.00 0.00 174.74 175.22 1nks h ALA 94 N 4.37 0.04 -3.24 -1.40 0.00 -1.91 -3.31 119.26 113.81 1nks h ALA 94 Ca -0.48 -0.85 -0.19 0.00 0.00 0.00 0.00 54.91 53.39 1nks h ALA 94 Cb 1.16 0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.77 1nks h ALA 94 CO 0.41 0.85 -0.67 0.14 0.00 0.00 0.00 179.25 179.98 1nks s VAL 95 N -2.73 0.06 -0.13 0.00 -7.23 -1.26 -0.24 120.40 108.87 1nks s VAL 95 Ca -0.06 -0.51 -0.03 0.00 -1.81 0.00 0.00 61.98 59.57 1nks s VAL 95 Cb 0.06 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.78 1nks s VAL 95 CO 0.91 -0.28 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.76 1nks s ILE 96 N -0.84 4.05 -0.27 -0.62 1.09 0.14 -4.83 121.20 119.92 1nks s ILE 96 Ca -0.09 -0.32 -0.25 0.00 -1.10 0.00 0.00 60.65 58.89 1nks s ILE 96 Cb -0.06 -2.75 0.00 0.00 -1.06 0.00 0.00 42.46 38.60 1nks s ILE 96 CO -0.00 0.53 0.88 -0.13 -0.10 0.00 0.00 174.94 176.11 1nks s ARG 97 N -0.09 4.11 0.31 2.79 0.52 -1.26 -1.53 118.95 123.79 1nks s ARG 97 Ca 0.03 0.90 0.08 0.00 -0.52 0.00 0.00 55.73 56.22 1nks s ARG 97 Cb -0.13 -3.68 -0.06 0.00 0.52 0.00 0.00 34.95 31.60 1nks s ARG 97 CO 0.02 -0.64 -0.08 0.95 0.02 0.00 0.00 175.30 175.58 1nks s THR 98 N 3.04 1.95 0.59 0.02 -4.23 -0.73 -4.91 115.64 111.35 1nks s THR 98 Ca 0.37 -2.17 0.40 0.00 -1.18 0.00 0.00 61.69 59.10 1nks s THR 98 Cb -0.14 -2.53 0.42 0.00 1.34 0.00 0.00 72.50 71.58 1nks s THR 98 CO 0.10 -0.26 2.30 -0.65 -0.54 0.00 0.00 174.62 175.57 1nks h PRO 99 N 2.16 0.00 -0.16 3.99 0.11 -1.92 -0.12 132.00 136.06 1nks h PRO 99 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1nks h PRO 99 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nks h PRO 99 CO 0.68 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.91 1nks n SER 100 N -3.27 1.84 0.00 -2.05 7.64 -1.26 -5.06 113.62 111.47 1nks n SER 100 Ca -0.03 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.14 1nks n SER 100 Cb 0.11 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1nks n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nks n GLY 101 N 1.18 -1.03 3.67 0.23 0.00 -0.06 -4.98 105.19 104.20 1nks n GLY 101 Ca 0.17 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 1nks n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 102 N 0.00 3.40 -0.23 1.61 2.02 -1.26 -1.78 117.35 121.11 1nks s TYR 102 Ca 0.00 1.49 -0.16 0.00 -0.37 0.00 0.00 57.07 58.03 1nks s TYR 102 Cb 0.00 -3.22 -0.04 0.00 -0.40 0.00 0.00 41.96 38.30 1nks s TYR 102 CO 0.00 -0.38 0.41 -1.17 -1.57 0.00 0.00 175.55 172.84 1nks s LEU 103 N 2.74 4.10 0.34 -1.29 2.96 -0.58 -4.88 118.68 122.07 1nks s LEU 103 Ca 0.45 0.45 -0.29 0.00 -0.22 0.00 0.00 54.13 54.52 1nks s LEU 103 Cb -0.16 -2.51 -0.11 0.00 0.50 0.00 0.00 46.19 43.91 1nks s LEU 103 CO 0.10 -0.14 1.48 -2.84 -1.32 0.00 0.00 176.35 173.63 1nks s PRO 104 N 1.68 4.16 0.38 0.98 0.02 -1.26 0.26 135.00 141.23 1nks s PRO 104 Ca 0.18 2.50 0.23 0.00 0.02 0.00 0.00 61.00 63.93 1nks s PRO 104 Cb -0.15 -3.01 0.36 0.00 0.02 0.00 0.00 34.50 31.73 1nks s PRO 104 CO 0.09 -0.49 1.57 0.78 -0.33 0.00 0.00 177.00 178.62 1nks h GLY 105 N 3.62 0.00 -5.75 0.52 0.00 -0.71 -3.39 103.07 97.37 1nks h GLY 105 Ca -0.49 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.29 1nks h GLY 105 CO 0.69 0.00 -0.90 1.04 0.00 0.00 0.00 176.54 177.37 1nks n LEU 106 N -2.94 2.51 -4.53 3.11 4.77 -1.26 -4.96 117.00 113.71 1nks n LEU 106 Ca 0.04 -5.28 -0.29 0.00 -0.03 0.00 0.00 56.01 50.44 1nks n LEU 106 Cb 0.52 0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.90 1nks n LEU 106 CO 0.34 2.26 0.55 -2.16 -1.33 0.00 0.00 177.39 177.06 1nks s PRO 107 N -2.68 -1.06 0.19 3.23 0.04 -1.26 -4.58 135.00 128.88 1nks s PRO 107 Ca 0.43 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 1nks s PRO 107 Cb 0.28 -1.58 0.21 0.00 0.04 0.00 0.00 34.50 33.45 1nks s PRO 107 CO -0.10 -3.70 1.69 0.66 0.04 0.00 0.00 177.00 175.59 1nks h SER 108 N -2.58 -0.18 0.26 6.66 4.64 -1.98 -1.44 113.55 118.92 1nks h SER 108 Ca -0.53 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1nks h SER 108 Cb 1.33 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1nks h SER 108 CO 0.45 -0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1nks n TYR 109 N -5.22 0.33 -0.12 4.77 0.18 -1.26 -1.75 117.16 114.09 1nks n TYR 109 Ca 0.06 0.15 -0.26 0.00 1.88 0.00 0.00 57.90 59.73 1nks n TYR 109 Cb 0.28 -0.75 -0.11 0.00 -0.38 0.00 0.00 39.34 38.39 1nks n TYR 109 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1nks n VAL 110 N -1.83 1.54 -0.36 -3.48 0.31 -0.63 -4.30 118.33 109.59 1nks n VAL 110 Ca 0.01 -0.35 0.01 0.00 -0.01 0.00 0.00 64.34 64.00 1nks n VAL 110 Cb 0.09 -1.85 0.16 0.00 -0.91 0.00 0.00 33.84 31.34 1nks n VAL 110 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1nks h ILE 111 N -0.82 1.16 0.00 2.52 1.08 -0.99 -2.34 117.51 118.12 1nks h ILE 111 Ca -0.60 -0.42 -0.05 0.00 -0.39 0.00 0.00 64.86 63.39 1nks h ILE 111 Cb 1.61 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1nks h ILE 111 CO -0.32 0.22 -0.25 0.71 -0.69 0.00 0.00 178.15 177.83 1nks h THR 112 N 1.23 0.58 -0.04 -0.27 1.35 -1.58 -0.43 112.91 113.75 1nks h THR 112 Ca 0.39 -1.24 -0.08 0.00 -0.55 0.00 0.00 66.41 64.94 1nks h THR 112 Cb 0.02 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1nks h THR 112 CO -0.13 0.24 -0.29 -0.33 -0.25 0.00 0.00 175.52 174.77 1nks h GLU 113 N 0.00 0.26 0.09 4.72 4.39 -1.62 -3.40 114.58 119.02 1nks h GLU 113 Ca -0.00 -0.23 -0.24 0.00 0.34 0.00 0.00 59.36 59.23 1nks h GLU 113 Cb 0.82 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1nks h GLU 113 CO 0.03 0.90 -1.23 0.82 -1.16 0.00 0.00 179.01 178.37 1nks h ILE 114 N -0.29 1.11 -5.88 3.13 2.04 -1.38 -3.45 117.51 112.79 1nks h ILE 114 Ca -0.02 -2.37 -0.24 0.00 1.00 0.00 0.00 64.86 63.22 1nks h ILE 114 Cb 0.97 2.74 0.05 0.00 -0.74 0.00 0.00 36.82 39.84 1nks h ILE 114 CO 0.06 0.65 -0.57 0.59 0.00 0.00 0.00 178.15 178.88 1nks n ASN 115 N -4.06 -6.44 -4.79 1.72 3.02 -0.18 -4.97 115.26 99.56 1nks n ASN 115 Ca -0.24 -0.57 -0.30 0.00 -0.03 0.00 0.00 54.58 53.45 1nks n ASN 115 Cb 0.83 -4.06 0.11 0.00 -0.61 0.00 0.00 39.78 36.05 1nks n ASN 115 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nks s PRO 116 N -4.30 1.74 -0.24 3.52 0.04 -1.26 -4.77 135.00 129.73 1nks s PRO 116 Ca 0.17 0.58 -0.00 0.00 0.04 0.00 0.00 61.00 61.79 1nks s PRO 116 Cb -0.05 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.46 1nks s PRO 116 CO 0.81 -1.85 -0.22 0.43 0.04 0.00 0.00 177.00 176.21 1nks n SER 117 N -3.58 2.13 -4.07 6.66 7.64 -0.05 -4.58 113.62 117.77 1nks n SER 117 Ca 0.07 -0.07 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1nks n SER 117 Cb 0.57 -0.41 -0.14 0.00 -1.01 0.00 0.00 64.21 63.22 1nks n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nks s VAL 118 N -2.47 0.85 -0.19 0.44 1.01 -1.20 -1.94 120.40 116.91 1nks s VAL 118 Ca -0.32 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1nks s VAL 118 Cb 0.09 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1nks s VAL 118 CO 0.53 0.06 -0.19 -0.63 0.00 0.00 0.00 175.10 174.87 1nks s ILE 119 N -0.59 2.17 0.00 2.22 1.01 -0.69 -1.24 121.20 124.07 1nks s ILE 119 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1nks s ILE 119 Cb -0.06 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1nks s ILE 119 CO 0.00 0.52 0.07 -0.36 0.00 0.00 0.00 174.94 175.17 1nks s PHE 120 N 1.30 3.24 -0.37 3.97 0.40 0.13 -1.39 117.98 125.26 1nks s PHE 120 Ca 0.05 0.18 -0.02 0.00 -0.60 0.00 0.00 56.93 56.54 1nks s PHE 120 Cb -0.13 -1.72 0.09 0.00 0.51 0.00 0.00 43.02 41.77 1nks s PHE 120 CO -0.12 0.53 0.13 -0.51 0.70 0.00 0.00 175.22 175.96 1nks s LEU 121 N -1.75 4.85 -0.15 -0.37 1.43 0.12 -1.56 118.68 121.25 1nks s LEU 121 Ca 0.23 -1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 51.18 1nks s LEU 121 Cb -0.12 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1nks s LEU 121 CO 0.14 -0.45 1.15 -0.76 0.23 0.00 0.00 176.35 176.66 1nks s LEU 122 N 1.14 4.18 0.24 1.79 2.01 0.14 -1.04 118.68 127.14 1nks s LEU 122 Ca 0.05 1.60 0.09 0.00 0.01 0.00 0.00 54.13 55.88 1nks s LEU 122 Cb -0.21 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.39 1nks s LEU 122 CO -0.04 -0.66 -0.14 -1.61 1.01 0.00 0.00 176.35 174.91 1nks s GLU 123 N 2.97 1.47 0.34 1.70 2.02 -0.45 -4.45 118.70 122.29 1nks s GLU 123 Ca 0.51 -1.68 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 1nks s GLU 123 Cb -0.20 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 32.75 1nks s GLU 123 CO 0.14 0.20 0.63 0.00 0.02 0.00 0.00 175.26 176.24 1nks s ALA 124 N -2.85 -0.15 0.17 5.21 0.00 -1.26 -0.92 121.76 121.96 1nks s ALA 124 Ca 0.26 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 1nks s ALA 124 Cb -0.01 0.92 -0.07 0.00 0.00 0.00 0.00 23.12 23.96 1nks s ALA 124 CO 0.10 -0.90 1.06 0.34 0.00 0.00 0.00 175.76 176.36 1nks s ASP 125 N -3.11 7.33 0.31 0.00 2.15 -1.26 -4.94 116.67 117.15 1nks s ASP 125 Ca 0.22 2.03 0.08 0.00 0.43 0.00 0.00 52.55 55.30 1nks s ASP 125 Cb -0.03 -2.60 0.83 0.00 -0.30 0.00 0.00 42.92 40.82 1nks s ASP 125 CO 0.14 -0.17 1.74 -0.65 -0.17 0.00 0.00 175.17 176.06 1nks h PRO 126 N 5.13 0.59 -0.19 4.34 0.11 -1.98 -1.28 132.00 138.72 1nks h PRO 126 Ca -0.44 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1nks h PRO 126 Cb 1.21 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1nks h PRO 126 CO 0.72 0.39 -0.02 0.87 -0.21 0.00 0.00 178.00 179.75 1nks h LYS 127 N 0.61 0.04 -0.52 1.05 1.57 -1.98 -0.81 116.57 116.52 1nks h LYS 127 Ca 0.62 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.35 1nks h LYS 127 Cb 1.13 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1nks h LYS 127 CO -0.46 0.02 0.13 0.82 -0.57 0.00 0.00 179.45 179.40 1nks h ILE 128 N 0.04 1.22 -0.63 1.86 5.03 -1.66 -2.03 117.51 121.34 1nks h ILE 128 Ca 0.09 -0.78 -0.09 0.00 -0.12 0.00 0.00 64.86 63.96 1nks h ILE 128 Cb 0.12 0.68 -0.02 0.00 -3.03 0.00 0.00 36.82 34.56 1nks h ILE 128 CO -0.17 0.29 0.03 0.40 -0.68 0.00 0.00 178.15 178.02 1nks h ILE 129 N 0.77 1.27 -0.49 -0.67 2.04 -0.70 -0.14 117.51 119.59 1nks h ILE 129 Ca 0.17 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 1nks h ILE 129 Cb 0.27 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1nks h ILE 129 CO -0.00 0.42 0.06 -0.07 0.00 0.00 0.00 178.15 178.55 1nks h LEU 130 N 1.00 0.79 0.19 1.44 3.38 -0.81 -2.74 115.31 118.56 1nks h LEU 130 Ca 0.18 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1nks h LEU 130 Cb 0.54 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1nks h LEU 130 CO 0.03 0.86 -0.43 0.28 0.09 0.00 0.00 178.44 179.27 1nks h SER 131 N 0.69 -1.26 0.04 -0.43 0.02 -1.09 -2.35 113.55 109.17 1nks h SER 131 Ca 0.15 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1nks h SER 131 Cb 0.42 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1nks h SER 131 CO 0.01 -0.52 0.00 0.54 -1.14 0.00 0.00 176.83 175.73 1nks n ARG 132 N -5.48 0.10 -0.13 3.45 1.74 -0.09 -2.04 116.66 114.22 1nks n ARG 132 Ca -0.08 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 56.95 1nks n ARG 132 Cb 0.39 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 1nks n ARG 132 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1nks n GLN 133 N -1.14 0.65 0.15 5.56 6.02 -0.91 -3.85 117.38 123.85 1nks n GLN 133 Ca 0.03 0.14 0.02 0.00 -0.01 0.00 0.00 57.00 57.18 1nks n GLN 133 Cb 0.03 -1.52 0.11 0.00 1.02 0.00 0.00 30.24 29.87 1nks n GLN 133 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1nks h LYS 134 N 0.00 0.00 -0.71 -1.09 2.10 -1.16 -3.06 116.57 112.66 1nks h LYS 134 Ca -0.58 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.05 1nks h LYS 134 Cb 1.92 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.21 1nks h LYS 134 CO -0.08 0.52 0.37 0.00 -2.00 0.00 0.00 179.45 178.26 1nks h ARG 135 N 0.00 1.00 -5.69 0.07 3.08 -1.60 -3.38 114.38 107.86 1nks h ARG 135 Ca -0.01 -0.13 -0.63 0.00 0.07 0.00 0.00 59.98 59.29 1nks h ARG 135 Cb 1.28 -0.19 -0.13 0.00 0.08 0.00 0.00 29.97 31.01 1nks h ARG 135 CO 0.07 0.76 0.30 0.34 -1.07 0.00 0.00 179.97 180.37 1nks s ASP 136 N -6.06 6.45 0.00 7.04 2.15 -1.16 -4.88 116.67 120.22 1nks s ASP 136 Ca -0.13 0.06 0.22 0.00 0.43 0.00 0.00 52.55 53.13 1nks s ASP 136 Cb 0.14 -2.37 -0.06 0.00 -0.30 0.00 0.00 42.92 40.33 1nks s ASP 136 CO 0.80 -0.78 1.01 0.41 -0.17 0.00 0.00 175.17 176.44 1nks n THR 137 N 5.90 0.00 -2.93 1.71 -1.04 -1.26 -4.71 114.28 111.94 1nks n THR 137 Ca 0.01 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.59 1nks n THR 137 Cb 0.48 0.82 -0.05 0.00 -1.82 0.00 0.00 70.33 69.76 1nks n THR 137 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1nks s THR 138 N -3.01 4.54 0.00 12.58 -4.23 -1.26 -4.28 115.64 119.98 1nks s THR 138 Ca 0.09 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 1nks s THR 138 Cb 0.16 -4.46 0.00 0.00 1.34 0.00 0.00 72.50 69.54 1nks s THR 138 CO 0.83 -1.00 0.00 -1.14 -0.54 0.00 0.00 174.62 172.77 1nks n ARG 139 N 7.06 0.00 -2.74 3.99 3.00 -1.26 -5.07 116.66 121.63 1nks n ARG 139 Ca -0.01 0.10 -0.39 0.00 -0.00 0.00 0.00 57.85 57.56 1nks n ARG 139 Cb 0.47 -0.22 -0.06 0.00 0.00 0.00 0.00 32.46 32.65 1nks n ARG 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1nks s ASN 140 N -0.04 7.46 0.00 6.15 2.20 -1.26 -5.00 114.94 124.45 1nks s ASN 140 Ca 0.00 1.92 0.00 0.00 -0.94 0.00 0.00 52.86 53.84 1nks s ASN 140 Cb 0.00 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.65 1nks s ASN 140 CO 0.00 0.02 0.00 0.54 -2.94 0.00 0.00 177.10 174.72 1nks n ARG 141 N 1.01 0.00 0.00 3.55 5.12 -1.26 -4.98 116.66 120.10 1nks n ARG 141 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1nks n ARG 141 Cb 0.48 -0.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 1nks n ARG 141 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1nks n ASN 142 N -2.11 0.00 0.24 0.55 5.03 -1.26 -4.63 115.26 113.09 1nks n ASN 142 Ca 0.00 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.57 1nks n ASN 142 Cb 0.00 0.00 0.60 0.00 -1.02 0.00 0.00 39.78 39.36 1nks n ASN 142 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 1nks h ASP 143 N 0.00 0.00 -1.11 6.41 2.03 -2.04 -3.24 116.42 118.48 1nks h ASP 143 Ca 0.00 0.00 -0.74 0.00 -0.73 0.00 0.00 57.03 55.56 1nks h ASP 143 Cb 0.00 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.38 1nks h ASP 143 CO 0.00 0.17 2.22 -1.22 -1.03 0.00 0.00 179.24 179.37 1nks n TYR 144 N -3.45 3.57 0.15 4.15 4.02 -1.26 -4.74 117.16 119.60 1nks n TYR 144 Ca -0.01 -2.93 -0.14 0.00 -0.01 0.00 0.00 57.90 54.82 1nks n TYR 144 Cb 0.34 -2.20 -0.08 0.00 -0.02 0.00 0.00 39.34 37.38 1nks n TYR 144 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1nks h SER 145 N 6.19 -0.33 -1.78 7.72 4.64 -1.98 -3.48 113.55 124.53 1nks h SER 145 Ca 0.43 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1nks h SER 145 Cb 0.69 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1nks h SER 145 CO 1.62 -0.01 -0.00 -0.90 -0.87 0.00 0.00 176.83 176.66 1nks n ASP 146 N -5.14 -0.02 -0.06 4.97 5.75 -1.26 -5.06 116.55 115.73 1nks n ASP 146 Ca -0.10 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 1nks n ASP 146 Cb 0.25 0.03 0.29 0.00 -1.03 0.00 0.00 41.12 40.66 1nks n ASP 146 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1nks h GLU 147 N 0.00 0.67 -0.23 0.11 5.08 -1.93 -3.04 114.58 115.24 1nks h GLU 147 Ca -0.00 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1nks h GLU 147 Cb 0.02 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1nks h GLU 147 CO 0.01 0.58 0.03 1.03 -1.00 0.00 0.00 179.01 179.66 1nks h SER 148 N 0.66 -0.02 -0.72 1.42 0.87 -1.98 0.76 113.55 114.55 1nks h SER 148 Ca 0.16 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1nks h SER 148 Cb 0.17 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1nks h SER 148 CO -0.01 0.02 0.38 0.58 -0.53 0.00 0.00 176.83 177.27 1nks h VAL 149 N 0.12 1.22 -0.18 2.23 2.07 -1.92 0.02 116.25 119.81 1nks h VAL 149 Ca 0.11 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1nks h VAL 149 Cb 0.12 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1nks h VAL 149 CO -0.15 0.25 0.05 0.40 0.02 0.00 0.00 177.57 178.14 1nks h ILE 150 N 0.99 1.20 -0.79 4.57 2.04 -1.40 -1.85 117.51 122.26 1nks h ILE 150 Ca 0.25 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 1nks h ILE 150 Cb 0.06 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1nks h ILE 150 CO -0.04 0.19 0.33 0.25 0.00 0.00 0.00 178.15 178.89 1nks h LEU 151 N 0.10 1.08 -0.26 1.44 7.12 -0.65 -0.75 115.31 123.40 1nks h LEU 151 Ca 0.06 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.89 1nks h LEU 151 Cb 0.25 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 40.09 1nks h LEU 151 CO -0.00 0.95 0.13 -0.08 -0.13 0.00 0.00 178.44 179.31 1nks h GLU 152 N 1.15 0.37 -0.90 1.25 4.81 -0.82 -2.21 114.58 118.23 1nks h GLU 152 Ca 0.27 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1nks h GLU 152 Cb 0.19 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1nks h GLU 152 CO -0.02 0.35 0.54 1.15 -0.73 0.00 0.00 179.01 180.29 1nks h THR 153 N 0.29 1.25 -0.67 0.32 2.02 -1.10 -1.68 112.91 113.35 1nks h THR 153 Ca 0.09 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.75 1nks h THR 153 Cb 0.10 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.46 1nks h THR 153 CO -0.01 0.26 0.43 0.40 0.37 0.00 0.00 175.52 176.96 1nks h ILE 154 N 1.23 1.11 -0.20 3.11 2.04 -0.89 0.56 117.51 124.48 1nks h ILE 154 Ca 0.32 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 1nks h ILE 154 Cb -0.05 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1nks h ILE 154 CO -0.06 0.15 -0.13 0.78 0.00 0.00 0.00 178.15 178.90 1nks h ASN 155 N 0.84 0.45 0.41 1.72 2.35 -0.95 -2.14 115.58 118.27 1nks h ASN 155 Ca 0.26 -0.43 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 1nks h ASN 155 Cb -0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1nks h ASN 155 CO -0.09 0.79 -0.33 -0.26 -1.65 0.00 0.00 177.43 175.88 1nks h PHE 156 N 0.12 0.00 -0.52 1.19 0.04 -1.12 0.67 116.94 117.32 1nks h PHE 156 Ca 0.04 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 1nks h PHE 156 Cb 0.63 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 1nks h PHE 156 CO 0.07 0.33 -0.13 0.00 -0.60 0.00 0.00 178.31 177.98 1nks h ALA 157 N 1.67 0.79 -0.31 2.45 0.00 -0.66 0.53 119.26 123.72 1nks h ALA 157 Ca -0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1nks h ALA 157 Cb 0.63 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nks h ALA 157 CO 0.04 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.75 1nks h ARG 158 N 0.88 0.70 0.23 0.00 3.08 -0.62 0.71 114.38 119.35 1nks h ARG 158 Ca 0.13 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1nks h ARG 158 Cb 0.69 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1nks h ARG 158 CO 0.05 0.94 -0.11 1.88 -1.07 0.00 0.00 179.97 181.66 1nks h TYR 159 N 0.46 -0.28 -0.73 3.04 0.05 -0.71 -1.86 116.97 116.93 1nks h TYR 159 Ca 0.06 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 1nks h TYR 159 Cb 0.76 0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.56 1nks h TYR 159 CO 0.06 -0.12 0.30 0.00 -1.05 0.00 0.00 178.16 177.35 1nks h ALA 160 N 0.37 0.95 -0.63 3.88 0.00 -0.82 -0.91 119.26 122.10 1nks h ALA 160 Ca -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1nks h ALA 160 Cb 0.29 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1nks h ALA 160 CO 0.05 0.56 0.23 0.00 0.00 0.00 0.00 179.25 180.10 1nks h ALA 161 N 1.14 0.82 -0.68 0.00 0.00 -0.78 0.91 119.26 120.68 1nks h ALA 161 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1nks h ALA 161 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1nks h ALA 161 CO -0.02 0.45 0.20 1.15 0.00 0.00 0.00 179.25 181.03 1nks h THR 162 N 0.89 1.25 -0.51 0.00 2.02 -1.09 0.22 112.91 115.70 1nks h THR 162 Ca 0.21 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 1nks h THR 162 Cb 0.23 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1nks h THR 162 CO -0.01 0.34 -0.12 0.00 0.37 0.00 0.00 175.52 176.10 1nks h ALA 163 N 1.19 0.84 -0.51 6.16 0.00 -0.58 -0.40 119.26 125.96 1nks h ALA 163 Ca 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nks h ALA 163 Cb 0.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1nks h ALA 163 CO -0.01 0.65 0.31 0.77 0.00 0.00 0.00 179.25 180.98 1nks h SER 164 N 0.84 0.61 -0.17 0.00 0.02 0.10 -2.25 113.55 112.70 1nks h SER 164 Ca 0.13 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1nks h SER 164 Cb 0.66 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1nks h SER 164 CO 0.05 0.48 0.00 0.00 -1.14 0.00 0.00 176.83 176.22 1nks h ALA 165 N 1.15 1.49 -0.24 3.77 0.00 -0.29 -1.48 119.26 123.65 1nks h ALA 165 Ca 0.18 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1nks h ALA 165 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nks h ALA 165 CO -0.03 0.37 -0.43 0.28 0.00 0.00 0.00 179.25 179.44 1nks h VAL 166 N 0.41 1.30 -0.37 0.00 2.07 -0.56 -0.02 116.25 119.08 1nks h VAL 166 Ca 0.09 -1.61 -0.11 0.00 0.82 0.00 0.00 66.70 65.90 1nks h VAL 166 Cb 0.27 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1nks h VAL 166 CO 0.01 0.51 -0.18 -0.07 0.02 0.00 0.00 177.57 177.85 1nks h LEU 167 N 0.48 0.80 0.00 2.57 3.38 -1.15 -3.33 115.31 118.06 1nks h LEU 167 Ca 0.04 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1nks h LEU 167 Cb 0.94 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1nks h LEU 167 CO 0.08 1.03 -0.86 0.00 0.09 0.00 0.00 178.44 178.78 1nks n ALA 168 N -2.47 2.97 -2.62 1.53 0.00 -0.58 -4.95 120.51 114.38 1nks n ALA 168 Ca -0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 1nks n ALA 168 Cb 0.41 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.79 1nks n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nks n GLY 169 N 1.31 0.42 3.61 0.00 0.00 -0.08 -4.89 105.19 105.56 1nks n GLY 169 Ca 0.02 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1nks n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nks s SER 170 N -3.20 3.89 0.67 1.61 1.04 -0.83 -4.91 113.70 111.96 1nks s SER 170 Ca 0.09 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.20 1nks s SER 170 Cb -0.04 -0.40 0.09 0.00 0.10 0.00 0.00 66.02 65.77 1nks s SER 170 CO 0.20 -0.41 0.93 0.42 0.98 0.00 0.00 173.24 175.36 1nks s THR 171 N -2.68 2.32 -0.08 2.02 -4.23 -0.82 -4.69 115.64 107.48 1nks s THR 171 Ca 0.35 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1nks s THR 171 Cb 0.08 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1nks s THR 171 CO 0.18 0.00 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.55 1nks s VAL 172 N -3.03 0.55 -0.16 2.29 1.01 -1.26 -1.71 120.40 118.09 1nks s VAL 172 Ca 0.63 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1nks s VAL 172 Cb -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1nks s VAL 172 CO 0.42 0.29 -0.19 -0.75 0.00 0.00 0.00 175.10 174.88 1nks s LYS 173 N 1.89 3.09 -0.21 2.72 2.36 -0.49 -4.97 119.74 124.13 1nks s LYS 173 Ca 0.05 -0.81 -0.25 0.00 -2.55 0.00 0.00 55.97 52.41 1nks s LYS 173 Cb -0.12 -2.55 -0.01 0.00 -1.05 0.00 0.00 37.83 34.10 1nks s LYS 173 CO -0.06 -0.06 0.84 0.08 1.55 0.00 0.00 175.35 177.70 1nks s VAL 174 N 0.95 4.85 -0.21 4.02 1.01 -1.26 -0.70 120.40 129.05 1nks s VAL 174 Ca -0.03 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.59 1nks s VAL 174 Cb -0.15 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.13 1nks s VAL 174 CO -0.04 -0.04 -0.15 -0.63 0.00 0.00 0.00 175.10 174.24 1nks s ILE 175 N 2.57 2.03 -0.19 2.22 1.01 -0.21 -4.94 121.20 123.70 1nks s ILE 175 Ca 0.37 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 1nks s ILE 175 Cb -0.16 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1nks s ILE 175 CO 0.09 0.25 1.06 -0.69 0.00 0.00 0.00 174.94 175.65 1nks s VAL 176 N 1.23 4.66 -0.55 2.92 1.01 -1.26 -1.34 120.40 127.06 1nks s VAL 176 Ca -0.02 1.98 -0.24 0.00 0.00 0.00 0.00 61.98 63.70 1nks s VAL 176 Cb -0.16 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.99 1nks s VAL 176 CO -0.09 -0.12 0.93 0.21 0.00 0.00 0.00 175.10 176.03 1nks s ASN 177 N 1.25 6.33 0.20 3.32 2.47 -0.10 -4.64 114.94 123.77 1nks s ASN 177 Ca 0.46 -0.40 -0.30 0.00 0.42 0.00 0.00 52.86 53.05 1nks s ASN 177 Cb -0.17 -2.43 -0.08 0.00 -1.45 0.00 0.00 41.25 37.12 1nks s ASN 177 CO 0.10 -1.22 1.18 -0.69 -3.72 0.00 0.00 177.10 172.75 1nks s VAL 178 N 3.90 3.58 0.02 -5.21 1.01 -1.26 -4.76 120.40 117.68 1nks s VAL 178 Ca 0.29 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.33 1nks s VAL 178 Cb -0.13 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1nks s VAL 178 CO 0.19 0.23 1.12 -1.83 0.00 0.00 0.00 175.10 174.81 1nks s GLU 179 N -0.41 4.46 0.00 2.72 -1.05 -1.26 -3.18 118.70 119.99 1nks s GLU 179 Ca 0.51 1.64 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 1nks s GLU 179 Cb -0.32 -3.41 0.00 0.00 -0.44 0.00 0.00 34.13 29.96 1nks s GLU 179 CO 0.37 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.78 1nks n GLY 180 N 3.13 3.09 2.88 -3.83 0.00 -1.26 -4.98 105.19 104.22 1nks n GLY 180 Ca 0.08 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1nks n GLY 180 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nks s ASP 181 N 0.00 4.17 0.11 1.61 2.15 -1.19 -4.93 116.67 118.59 1nks s ASP 181 Ca 0.00 -2.69 0.13 0.00 0.43 0.00 0.00 52.55 50.43 1nks s ASP 181 Cb 0.00 -1.41 0.61 0.00 -0.30 0.00 0.00 42.92 41.82 1nks s ASP 181 CO 0.00 -0.28 1.41 -0.81 -0.17 0.00 0.00 175.17 175.33 1nks n PRO 182 N 3.51 0.07 0.17 4.34 -0.04 -1.26 -1.87 135.00 139.92 1nks n PRO 182 Ca 0.05 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1nks n PRO 182 Cb 0.35 -1.66 0.18 0.00 -0.04 0.00 0.00 33.50 32.33 1nks n PRO 182 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1nks h SER 183 N 0.00 0.00 -0.83 3.54 4.64 -1.93 -1.63 113.55 117.34 1nks h SER 183 Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1nks h SER 183 Cb 0.15 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 1nks h SER 183 CO 0.00 0.01 0.43 0.40 -0.87 0.00 0.00 176.83 176.79 1nks h ILE 184 N 0.00 1.25 0.16 0.95 2.04 -1.76 0.17 117.51 120.32 1nks h ILE 184 Ca 0.00 -0.66 -0.31 0.00 1.00 0.00 0.00 64.86 64.89 1nks h ILE 184 Cb 0.94 0.17 0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1nks h ILE 184 CO 0.00 0.29 -1.30 0.00 0.00 0.00 0.00 178.15 177.14 1nks h ALA 185 N 1.23 -0.06 -0.52 1.87 0.00 -1.72 -2.90 119.26 117.16 1nks h ALA 185 Ca 0.29 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1nks h ALA 185 Cb 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1nks h ALA 185 CO -0.04 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.16 1nks h ALA 186 N 0.24 1.52 -0.18 0.00 0.00 -1.05 -1.00 119.26 118.77 1nks h ALA 186 Ca -0.21 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1nks h ALA 186 Cb 1.98 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 1nks h ALA 186 CO 0.25 0.40 -0.31 -0.91 0.00 0.00 0.00 179.25 178.68 1nks h ASN 187 N 0.72 0.59 -0.78 0.00 2.35 -0.71 -1.98 115.58 115.77 1nks h ASN 187 Ca 0.18 -0.53 0.11 0.00 -0.55 0.00 0.00 56.30 55.52 1nks h ASN 187 Cb 0.03 -0.17 -0.08 0.00 0.05 0.00 0.00 38.32 38.15 1nks h ASN 187 CO -0.03 1.01 0.40 -0.33 -1.65 0.00 0.00 177.43 176.83 1nks h GLU 188 N 0.19 0.62 -0.58 0.81 4.39 -1.23 0.37 114.58 119.15 1nks h GLU 188 Ca 0.01 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1nks h GLU 188 Cb 0.89 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1nks h GLU 188 CO 0.07 0.41 0.17 0.82 -1.16 0.00 0.00 179.01 179.31 1nks h ILE 189 N 0.64 1.24 0.16 3.13 2.04 -1.06 0.34 117.51 124.00 1nks h ILE 189 Ca 0.40 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1nks h ILE 189 Cb 0.48 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1nks h ILE 189 CO -0.30 0.32 -0.08 0.40 0.00 0.00 0.00 178.15 178.49 1nks h ILE 190 N 0.83 0.96 -0.85 -0.67 2.04 -0.41 -2.53 117.51 116.88 1nks h ILE 190 Ca 0.19 -0.58 0.20 0.00 1.00 0.00 0.00 64.86 65.67 1nks h ILE 190 Cb 0.31 1.31 -0.12 0.00 -0.74 0.00 0.00 36.82 37.58 1nks h ILE 190 CO -0.00 0.14 0.31 0.03 0.00 0.00 0.00 178.15 178.62 1nks h ARG 191 N -0.50 0.33 0.00 2.37 3.08 -0.19 0.24 114.38 119.70 1nks h ARG 191 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1nks h ARG 191 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1nks h ARG 191 CO 0.04 0.22 0.00 0.77 -1.07 0.00 0.00 179.97 179.92 1nks h SER 192 N 0.34 0.00 0.66 7.04 0.02 -0.72 -3.07 113.55 117.82 1nks h SER 192 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1nks h SER 192 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1nks h SER 192 CO -0.54 0.00 -0.57 0.23 -1.14 0.00 0.00 176.83 174.80 1nks n MET 193 N -2.96 0.14 0.00 3.45 2.81 0.84 -5.00 117.12 116.40 1nks n MET 193 Ca -0.00 0.04 0.15 0.00 -1.81 0.00 0.00 57.70 56.07 1nks n MET 193 Cb 0.24 -1.58 0.86 0.00 -0.71 0.00 0.00 33.22 32.03 1nks n MET 193 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11