#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i50 n ALA 73 N 0.00 -1.90 -2.94 7.82 0.00 -1.26 -4.85 120.51 117.38 1i50 n ALA 73 Ca 0.00 0.45 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 1i50 n ALA 73 Cb 0.00 -1.40 -0.16 0.00 0.00 0.00 0.00 19.45 17.89 1i50 n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i50 s ILE 74 N -3.58 1.00 0.59 0.00 1.01 -0.93 -4.74 121.20 114.54 1i50 s ILE 74 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 1i50 s ILE 74 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 1i50 s ILE 74 CO 0.00 0.30 1.11 -0.81 0.00 0.00 0.00 174.94 175.54 1i50 n PRO 75 N 3.19 1.14 0.11 2.79 -0.04 -1.26 -4.72 135.00 136.20 1i50 n PRO 75 Ca -0.18 0.43 0.19 0.00 -0.04 0.00 0.00 63.50 63.91 1i50 n PRO 75 Cb 0.54 -2.31 0.65 0.00 -0.04 0.00 0.00 33.50 32.34 1i50 n PRO 75 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1i50 h LYS 76 N 0.77 0.00 -6.18 0.54 3.64 -2.00 -3.36 116.57 109.98 1i50 h LYS 76 Ca -0.49 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.40 1i50 h LYS 76 Cb 1.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1i50 h LYS 76 CO 0.53 0.00 -0.41 -0.51 -2.27 0.00 0.00 179.45 176.79 1i50 s ASP 77 N -4.58 6.33 0.00 4.20 1.01 -1.26 -4.34 116.67 118.02 1i50 s ASP 77 Ca -0.03 0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1i50 s ASP 77 Cb 0.13 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 42.15 1i50 s ASP 77 CO 0.43 -0.05 0.00 0.00 0.21 0.00 0.00 175.17 175.76 1i50 n GLN 78 N -1.14 0.00 -2.33 8.23 6.02 -1.26 -5.01 117.38 121.89 1i50 n GLN 78 Ca -0.08 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.49 1i50 n GLN 78 Cb 0.56 -2.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.50 1i50 n GLN 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1i50 s ARG 79 N -0.12 4.33 0.00 -1.09 0.52 -1.26 -4.88 118.95 116.46 1i50 s ARG 79 Ca 0.00 1.84 0.18 0.00 -0.52 0.00 0.00 55.73 57.23 1i50 s ARG 79 Cb 0.00 -3.51 0.12 0.00 0.52 0.00 0.00 34.95 32.08 1i50 s ARG 79 CO 0.00 -0.47 1.04 0.00 0.02 0.00 0.00 175.30 175.89 1i50 n ALA 80 N 4.97 2.58 -1.30 2.13 0.00 -1.26 -4.99 120.51 122.64 1i50 n ALA 80 Ca 0.12 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 1i50 n ALA 80 Cb 0.45 -0.60 0.12 0.00 0.00 0.00 0.00 19.45 19.42 1i50 n ALA 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i50 s THR 81 N -1.56 2.76 0.32 0.00 2.01 -1.26 -4.96 115.64 112.96 1i50 s THR 81 Ca 0.20 0.25 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 1i50 s THR 81 Cb 0.15 -2.80 -0.12 0.00 0.01 0.00 0.00 72.50 69.74 1i50 s THR 81 CO 0.25 -0.32 1.50 0.41 -0.69 0.00 0.00 174.62 175.77 1i50 n THR 82 N -3.76 1.46 0.24 -0.82 -1.04 -1.26 -4.89 114.28 104.22 1i50 n THR 82 Ca 0.07 -0.37 0.13 0.00 -2.04 0.00 0.00 64.05 61.85 1i50 n THR 82 Cb 0.55 -1.87 0.40 0.00 -1.82 0.00 0.00 70.33 67.60 1i50 n THR 82 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1i50 h PRO 83 N 3.84 0.00 -6.50 -2.82 0.11 -1.97 -3.45 132.00 121.21 1i50 h PRO 83 Ca -0.48 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.10 1i50 h PRO 83 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1i50 h PRO 83 CO 0.72 0.05 0.10 0.71 -0.21 0.00 0.00 178.00 179.37 1i50 s TYR 84 N -3.42 3.75 0.24 0.65 1.51 -1.26 -2.20 117.35 116.61 1i50 s TYR 84 Ca 0.04 1.44 -0.30 0.00 -1.01 0.00 0.00 57.07 57.24 1i50 s TYR 84 Cb 0.07 -2.64 -0.09 0.00 -0.11 0.00 0.00 41.96 39.20 1i50 s TYR 84 CO 0.62 0.43 1.06 1.41 -1.11 0.00 0.00 175.55 177.95 1i50 s MET 85 N -1.61 4.68 0.46 -0.62 -2.45 -0.28 -4.83 119.30 114.65 1i50 s MET 85 Ca 0.39 1.70 -0.09 0.00 -1.25 0.00 0.00 55.69 56.44 1i50 s MET 85 Cb -0.19 -3.24 -0.05 0.00 1.25 0.00 0.00 34.83 32.60 1i50 s MET 85 CO 0.22 0.25 0.81 0.95 1.05 0.00 0.00 175.02 178.31 1i50 s THR 86 N -0.92 4.81 0.55 10.11 -4.23 -1.26 -4.80 115.64 119.90 1i50 s THR 86 Ca 0.45 0.52 0.23 0.00 -1.18 0.00 0.00 61.69 61.71 1i50 s THR 86 Cb -0.30 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.06 1i50 s THR 86 CO 0.37 -0.72 2.19 0.07 -0.54 0.00 0.00 174.62 176.00 1i50 h LYS 87 N 0.69 0.00 -0.13 3.99 2.10 -1.98 -1.24 116.57 119.99 1i50 h LYS 87 Ca -0.47 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 57.97 1i50 h LYS 87 Cb 1.19 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1i50 h LYS 87 CO 0.63 0.01 -0.77 1.88 -2.00 0.00 0.00 179.45 179.20 1i50 h TYR 88 N 0.00 0.92 -0.30 0.07 -1.99 -1.99 -1.93 116.97 111.76 1i50 h TYR 88 Ca -0.00 -0.41 -0.05 0.00 2.00 0.00 0.00 58.73 60.27 1i50 h TYR 88 Cb 0.03 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 1i50 h TYR 88 CO 0.00 1.22 -0.02 0.93 -0.00 0.00 0.00 178.16 180.29 1i50 h GLU 89 N 0.47 0.54 -0.86 4.88 5.08 -1.69 -1.16 114.58 121.83 1i50 h GLU 89 Ca -0.05 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1i50 h GLU 89 Cb 1.38 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.53 1i50 h GLU 89 CO 0.15 0.70 0.55 -0.09 -1.00 0.00 0.00 179.01 179.32 1i50 h ARG 90 N 0.32 1.00 -0.34 2.33 2.43 -1.25 0.19 114.38 119.06 1i50 h ARG 90 Ca 0.08 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1i50 h ARG 90 Cb 0.47 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1i50 h ARG 90 CO 0.02 0.66 0.07 0.00 -1.51 0.00 0.00 179.97 179.21 1i50 h ALA 91 N 1.39 0.45 -0.22 2.80 0.00 -1.12 -1.73 119.26 120.82 1i50 h ALA 91 Ca 0.36 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1i50 h ALA 91 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i50 h ALA 91 CO -0.15 0.13 -0.56 -0.09 0.00 0.00 0.00 179.25 178.59 1i50 h ARG 92 N 0.40 0.76 0.59 0.00 2.43 -0.54 -2.18 114.38 115.84 1i50 h ARG 92 Ca 0.11 -0.53 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1i50 h ARG 92 Cb 0.32 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1i50 h ARG 92 CO 0.00 1.15 -0.30 0.82 -1.51 0.00 0.00 179.97 180.13 1i50 h ILE 93 N 0.49 0.38 -0.89 1.20 2.04 -0.64 0.66 117.51 120.75 1i50 h ILE 93 Ca -0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.04 1i50 h ILE 93 Cb 1.17 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1i50 h ILE 93 CO 0.12 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.79 1i50 h LEU 94 N -0.82 0.44 -0.29 1.44 3.38 -1.36 0.76 115.31 118.86 1i50 h LEU 94 Ca -0.08 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1i50 h LEU 94 Cb 0.64 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1i50 h LEU 94 CO 0.12 0.18 -0.82 1.23 0.09 0.00 0.00 178.44 179.24 1i50 h GLY 95 N 0.44 0.47 0.51 0.83 0.00 -0.84 -0.55 103.07 103.94 1i50 h GLY 95 Ca 0.46 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1i50 h GLY 95 CO -0.18 0.65 -0.00 -0.84 0.00 0.00 0.00 176.54 176.17 1i50 h THR 96 N 0.27 1.38 -0.35 4.70 2.02 0.58 -2.00 112.91 119.52 1i50 h THR 96 Ca -0.05 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 1i50 h THR 96 Cb 1.43 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.99 1i50 h THR 96 CO 0.14 0.30 0.20 -0.09 0.37 0.00 0.00 175.52 176.45 1i50 h ARG 97 N -0.50 0.47 -0.55 6.66 9.65 -0.98 -2.40 114.38 126.74 1i50 h ARG 97 Ca -0.00 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.88 1i50 h ARG 97 Cb 0.49 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 1i50 h ARG 97 CO 0.00 0.37 0.29 0.00 2.80 0.00 0.00 179.97 183.43 1i50 h ALA 98 N 1.08 0.70 -0.53 2.80 0.00 -1.11 -1.16 119.26 121.05 1i50 h ALA 98 Ca 0.12 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1i50 h ALA 98 Cb 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1i50 h ALA 98 CO -0.02 -0.04 0.04 1.25 0.00 0.00 0.00 179.25 180.48 1i50 h LEU 99 N 0.56 -0.15 -0.19 0.00 5.85 -0.98 0.17 115.31 120.57 1i50 h LEU 99 Ca 0.24 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1i50 h LEU 99 Cb 0.12 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1i50 h LEU 99 CO -0.15 -0.05 0.12 1.56 -0.34 0.00 0.00 178.44 179.58 1i50 h GLN 100 N 0.16 0.25 -0.06 1.25 4.20 -0.84 -1.64 115.11 118.43 1i50 h GLN 100 Ca 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1i50 h GLN 100 Cb 0.41 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1i50 h GLN 100 CO -0.41 0.16 -0.04 0.82 -0.67 0.00 0.00 178.83 178.69 1i50 h ILE 101 N 0.25 1.07 0.00 2.54 2.04 -0.49 -0.13 117.51 122.80 1i50 h ILE 101 Ca 0.07 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1i50 h ILE 101 Cb -0.03 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1i50 h ILE 101 CO -0.01 0.09 0.00 0.77 0.00 0.00 0.00 178.15 179.00 1i50 h SER 102 N 0.09 0.00 -0.57 1.72 4.64 0.27 -2.83 113.55 116.87 1i50 h SER 102 Ca 0.02 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.03 1i50 h SER 102 Cb 0.14 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.04 1i50 h SER 102 CO 0.01 0.00 0.13 0.23 -0.87 0.00 0.00 176.83 176.33 1i50 n MET 103 N -2.38 2.04 -2.09 4.77 2.81 -0.11 -4.95 117.12 117.21 1i50 n MET 103 Ca 0.02 -3.19 -0.19 0.00 -1.81 0.00 0.00 57.70 52.54 1i50 n MET 103 Cb 0.27 -1.96 -0.03 0.00 -0.71 0.00 0.00 33.22 30.79 1i50 n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1i50 n ASN 104 N -1.11 -5.38 -4.81 7.83 3.02 -1.07 -4.98 115.26 108.76 1i50 n ASN 104 Ca 0.42 0.14 -0.33 0.00 -0.03 0.00 0.00 54.58 54.78 1i50 n ASN 104 Cb 1.20 -4.46 -0.05 0.00 -0.61 0.00 0.00 39.78 35.85 1i50 n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i50 s ALA 105 N -2.86 2.97 0.31 5.41 0.00 -0.91 -4.97 121.76 121.71 1i50 s ALA 105 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 1i50 s ALA 105 Cb 0.00 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 1i50 s ALA 105 CO 0.00 -0.09 1.25 -2.30 0.00 0.00 0.00 175.76 174.62 1i50 n PRO 106 N -0.88 1.93 -3.95 0.00 -0.02 -1.26 -4.67 135.00 126.16 1i50 n PRO 106 Ca 0.08 0.68 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 1i50 n PRO 106 Cb 0.53 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1i50 n PRO 106 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1i50 s VAL 107 N -0.87 5.22 -0.41 -1.45 1.01 -1.26 -4.96 120.40 117.68 1i50 s VAL 107 Ca 0.59 -0.52 0.16 0.00 0.00 0.00 0.00 61.98 62.20 1i50 s VAL 107 Cb -0.62 -3.57 0.57 0.00 0.00 0.00 0.00 36.38 32.76 1i50 s VAL 107 CO 0.59 0.09 1.47 0.49 0.00 0.00 0.00 175.10 177.75 1i50 n PHE 108 N 0.15 1.12 -4.27 5.22 3.01 -1.26 -5.01 117.46 116.42 1i50 n PHE 108 Ca -0.06 -0.77 -0.17 0.00 1.01 0.00 0.00 57.45 57.47 1i50 n PHE 108 Cb 0.52 -0.30 -0.09 0.00 -0.01 0.00 0.00 39.48 39.60 1i50 n PHE 108 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1i50 s VAL 109 N -2.43 0.06 -0.28 -4.37 1.01 -1.26 -4.98 120.40 108.16 1i50 s VAL 109 Ca 0.42 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 60.21 1i50 s VAL 109 Cb 0.32 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1i50 s VAL 109 CO 0.13 0.00 0.56 -0.62 0.00 0.00 0.00 175.10 175.17 1i50 s ASP 110 N -3.30 6.46 -1.19 3.32 -1.08 -1.26 -4.98 116.67 114.64 1i50 s ASP 110 Ca 0.39 0.49 -0.20 0.00 -0.52 0.00 0.00 52.55 52.71 1i50 s ASP 110 Cb 0.04 -2.30 0.04 0.00 -1.46 0.00 0.00 42.92 39.25 1i50 s ASP 110 CO 0.20 -0.36 1.69 -0.76 0.52 0.00 0.00 175.17 176.46 1i50 s LEU 111 N 2.41 3.64 0.00 -1.34 1.02 -1.26 -4.82 118.68 118.34 1i50 s LEU 111 Ca 0.23 -2.02 -0.02 0.00 0.02 0.00 0.00 54.13 52.34 1i50 s LEU 111 Cb -0.15 -2.58 -0.08 0.00 0.02 0.00 0.00 46.19 43.40 1i50 s LEU 111 CO 0.10 -1.51 1.38 -0.62 0.02 0.00 0.00 176.35 175.72 1i50 n GLU 112 N 8.55 0.58 0.00 1.70 1.02 -1.26 -3.94 120.64 127.28 1i50 n GLU 112 Ca 0.44 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1i50 n GLU 112 Cb 0.47 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1i50 n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i50 n GLY 113 N 2.78 1.09 3.76 0.62 0.00 -1.26 -5.10 105.19 107.08 1i50 n GLY 113 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1i50 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i50 s GLU 114 N -0.57 3.20 0.00 1.61 0.41 -1.25 -4.93 118.70 117.16 1i50 s GLU 114 Ca 0.00 1.88 0.00 0.00 -0.41 0.00 0.00 54.97 56.44 1i50 s GLU 114 Cb 0.00 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 1i50 s GLU 114 CO 0.00 -1.04 0.00 0.25 -0.49 0.00 0.00 175.26 173.98 1i50 n THR 115 N -1.23 0.00 -2.81 3.63 -2.24 -1.26 -4.94 114.28 105.43 1i50 n THR 115 Ca 0.12 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.47 1i50 n THR 115 Cb 0.48 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 1i50 n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i50 s ASP 116 N -0.35 6.69 0.05 3.42 -1.08 -1.26 -4.99 116.67 119.16 1i50 s ASP 116 Ca 0.00 0.61 -0.11 0.00 -0.52 0.00 0.00 52.55 52.54 1i50 s ASP 116 Cb 0.00 -2.46 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 1i50 s ASP 116 CO 0.00 -0.84 1.18 -0.81 0.52 0.00 0.00 175.17 175.22 1i50 n PRO 117 N 6.74 -0.15 -0.33 4.34 -0.04 -1.26 -0.85 135.00 143.44 1i50 n PRO 117 Ca 0.07 1.17 0.19 0.00 -0.04 0.00 0.00 63.50 64.90 1i50 n PRO 117 Cb 0.48 -1.75 0.40 0.00 -0.04 0.00 0.00 33.50 32.60 1i50 n PRO 117 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1i50 h LEU 118 N 0.00 0.53 -1.40 1.53 5.85 -1.89 0.62 115.31 120.56 1i50 h LEU 118 Ca 0.05 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1i50 h LEU 118 Cb 0.14 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1i50 h LEU 118 CO -0.32 -0.01 0.15 -0.09 -0.34 0.00 0.00 178.44 177.82 1i50 h ARG 119 N 0.44 0.55 0.04 1.25 9.65 -1.41 0.29 114.38 125.19 1i50 h ARG 119 Ca 0.66 -0.07 -0.23 0.00 -1.10 0.00 0.00 59.98 59.24 1i50 h ARG 119 Cb 1.37 -0.10 0.02 0.00 -1.39 0.00 0.00 29.97 29.86 1i50 h ARG 119 CO -0.54 0.47 -0.93 0.82 2.80 0.00 0.00 179.97 182.58 1i50 h ILE 120 N 0.55 1.34 -0.68 1.20 2.04 0.11 -2.91 117.51 119.16 1i50 h ILE 120 Ca 0.14 -2.26 0.05 0.00 1.00 0.00 0.00 64.86 63.78 1i50 h ILE 120 Cb 0.13 2.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 1i50 h ILE 120 CO -0.01 0.68 0.40 0.00 0.00 0.00 0.00 178.15 179.22 1i50 h ALA 121 N 0.32 0.91 -0.37 1.87 0.00 -0.04 0.96 119.26 122.91 1i50 h ALA 121 Ca -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i50 h ALA 121 Cb 1.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1i50 h ALA 121 CO 0.18 0.12 0.22 0.52 0.00 0.00 0.00 179.25 180.29 1i50 h MET 122 N 0.76 0.50 -0.31 0.00 2.86 -0.96 -0.33 114.93 117.46 1i50 h MET 122 Ca 0.29 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.74 1i50 h MET 122 Cb 0.12 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1i50 h MET 122 CO -0.15 0.36 -0.40 -0.22 1.06 0.00 0.00 176.91 177.56 1i50 h LYS 123 N 0.51 0.81 -0.83 1.72 3.64 -0.73 -2.21 116.57 119.49 1i50 h LYS 123 Ca 0.14 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1i50 h LYS 123 Cb -0.01 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1i50 h LYS 123 CO -0.02 1.10 0.45 0.93 -2.27 0.00 0.00 179.45 179.63 1i50 h GLU 124 N 0.59 1.16 0.12 1.90 5.08 0.39 -2.35 114.58 121.46 1i50 h GLU 124 Ca 0.04 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1i50 h GLU 124 Cb 1.00 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1i50 h GLU 124 CO 0.10 0.85 -0.06 1.25 -1.00 0.00 0.00 179.01 180.15 1i50 h LEU 125 N 1.16 -0.14 -1.19 1.33 5.85 -0.98 0.10 115.31 121.45 1i50 h LEU 125 Ca 0.29 -0.12 0.14 0.00 0.84 0.00 0.00 57.88 59.03 1i50 h LEU 125 Cb 0.04 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.02 1i50 h LEU 125 CO -0.05 0.04 0.59 0.00 -0.34 0.00 0.00 178.44 178.69 1i50 h ALA 126 N 0.55 1.73 -0.48 1.25 0.00 -1.23 0.20 119.26 121.27 1i50 h ALA 126 Ca -0.02 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1i50 h ALA 126 Cb 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 1i50 h ALA 126 CO 0.03 0.02 0.17 0.39 0.00 0.00 0.00 179.25 179.85 1i50 n GLU 127 N -4.59 2.87 -3.01 0.00 1.02 -0.90 -4.90 120.64 111.13 1i50 n GLU 127 Ca 0.18 -2.01 -0.13 0.00 -0.02 0.00 0.00 57.16 55.18 1i50 n GLU 127 Cb 0.44 -1.91 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 1i50 n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i50 n LYS 128 N 0.03 -2.50 -1.27 3.49 4.76 0.69 -4.81 118.16 118.54 1i50 n LYS 128 Ca 0.26 0.15 -0.24 0.00 -2.87 0.00 0.00 58.31 55.60 1i50 n LYS 128 Cb 1.02 -4.70 0.13 0.00 -1.84 0.00 0.00 35.03 29.65 1i50 n LYS 128 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1i50 n LYS 129 N -2.99 2.47 -3.75 1.97 5.02 -0.03 -4.78 118.16 116.07 1i50 n LYS 129 Ca 0.01 -3.26 -0.38 0.00 -2.02 0.00 0.00 58.31 52.66 1i50 n LYS 129 Cb 0.51 -2.16 -0.12 0.00 -0.02 0.00 0.00 35.03 33.23 1i50 n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1i50 s ILE 130 N -3.97 3.67 -0.39 -0.18 1.01 -1.26 -4.82 121.20 115.25 1i50 s ILE 130 Ca 0.57 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1i50 s ILE 130 Cb 0.47 -3.20 -0.12 0.00 0.01 0.00 0.00 42.46 39.63 1i50 s ILE 130 CO 0.04 -0.33 2.26 -0.81 0.00 0.00 0.00 174.94 176.10 1i50 n PRO 131 N 4.77 1.58 -4.36 2.79 -0.04 -1.26 -4.48 135.00 133.99 1i50 n PRO 131 Ca -0.10 -0.96 -0.27 0.00 -0.04 0.00 0.00 63.50 62.13 1i50 n PRO 131 Cb 0.43 -2.07 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 1i50 n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i50 s LEU 132 N 0.04 2.66 -0.02 1.53 1.43 -1.26 -5.05 118.68 118.02 1i50 s LEU 132 Ca 0.40 -0.74 0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1i50 s LEU 132 Cb 0.15 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1i50 s LEU 132 CO -0.01 0.12 -0.18 -0.69 0.23 0.00 0.00 176.35 175.81 1i50 s VAL 133 N -1.66 1.44 -0.21 -1.59 1.01 -1.26 -0.83 120.40 117.30 1i50 s VAL 133 Ca 0.22 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1i50 s VAL 133 Cb -0.08 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1i50 s VAL 133 CO 0.12 0.41 0.10 -0.63 0.00 0.00 0.00 175.10 175.10 1i50 s ILE 134 N -0.41 4.92 -0.46 2.22 1.01 0.68 -4.96 121.20 124.21 1i50 s ILE 134 Ca 0.07 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 1i50 s ILE 134 Cb -0.07 -3.26 0.09 0.00 0.01 0.00 0.00 42.46 39.23 1i50 s ILE 134 CO -0.01 0.40 0.35 -0.60 0.00 0.00 0.00 174.94 175.09 1i50 s ARG 135 N 0.79 2.77 -0.35 2.79 3.52 -1.26 -1.65 118.95 125.55 1i50 s ARG 135 Ca 0.05 -1.50 -0.23 0.00 -0.13 0.00 0.00 55.73 53.92 1i50 s ARG 135 Cb -0.13 -3.99 0.01 0.00 -1.56 0.00 0.00 34.95 29.27 1i50 s ARG 135 CO 0.02 -1.06 0.76 1.03 -0.81 0.00 0.00 175.30 175.24 1i50 s ARG 136 N 1.51 3.79 0.20 5.12 0.52 -0.25 -4.93 118.95 124.91 1i50 s ARG 136 Ca 0.04 0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 55.45 1i50 s ARG 136 Cb -0.25 -3.79 -0.07 0.00 0.52 0.00 0.00 34.95 31.36 1i50 s ARG 136 CO 0.03 -0.80 0.58 0.71 0.02 0.00 0.00 175.30 175.84 1i50 s TYR 137 N 3.02 3.52 0.12 -0.53 1.51 -1.26 -1.33 117.35 122.39 1i50 s TYR 137 Ca 0.31 1.03 0.02 0.00 -1.01 0.00 0.00 57.07 57.41 1i50 s TYR 137 Cb -0.14 -2.36 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 1i50 s TYR 137 CO 0.16 0.33 0.25 -0.51 -1.11 0.00 0.00 175.55 174.68 1i50 s LEU 138 N -2.37 4.33 0.52 -1.29 1.43 -0.31 -4.98 118.68 116.01 1i50 s LEU 138 Ca 0.43 0.20 0.34 0.00 -1.03 0.00 0.00 54.13 54.07 1i50 s LEU 138 Cb -0.13 -2.91 1.49 0.00 0.03 0.00 0.00 46.19 44.66 1i50 s LEU 138 CO 0.20 0.09 1.80 1.55 0.23 0.00 0.00 176.35 180.22 1i50 h PRO 139 N 2.47 0.06 0.00 1.29 0.13 -1.98 -0.90 132.00 133.06 1i50 h PRO 139 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1i50 h PRO 139 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1i50 h PRO 139 CO 0.71 0.04 -0.04 0.38 -0.23 0.00 0.00 178.00 178.86 1i50 h ASP 140 N 0.06 0.00 0.00 1.44 2.03 -2.04 -3.47 116.42 114.43 1i50 h ASP 140 Ca 0.57 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.86 1i50 h ASP 140 Cb 2.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.65 1i50 h ASP 140 CO -0.05 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.77 1i50 n GLY 141 N 1.19 1.60 3.47 7.15 0.00 -0.34 -5.05 105.19 113.21 1i50 n GLY 141 Ca 0.04 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1i50 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i50 s SER 142 N -0.48 0.56 0.21 1.61 1.04 -1.26 -2.78 113.70 112.60 1i50 s SER 142 Ca 0.00 1.18 -0.22 0.00 0.48 0.00 0.00 55.95 57.39 1i50 s SER 142 Cb 0.00 -1.79 0.05 0.00 0.10 0.00 0.00 66.02 64.38 1i50 s SER 142 CO 0.00 -4.41 0.63 0.72 0.98 0.00 0.00 173.24 171.16 1i50 s PHE 143 N -2.53 -0.36 0.12 5.02 -0.12 -1.26 -1.17 117.98 117.68 1i50 s PHE 143 Ca 0.68 0.04 0.08 0.00 -0.05 0.00 0.00 56.93 57.69 1i50 s PHE 143 Cb -0.19 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1i50 s PHE 143 CO 0.61 -1.00 -0.21 -1.21 -0.05 0.00 0.00 175.22 173.37 1i50 s GLU 144 N -3.83 1.18 -0.17 1.99 2.02 -0.44 -2.19 118.70 117.27 1i50 s GLU 144 Ca 0.06 -1.24 0.01 0.00 0.02 0.00 0.00 54.97 53.81 1i50 s GLU 144 Cb -0.03 -1.41 0.01 0.00 0.10 0.00 0.00 34.13 32.80 1i50 s GLU 144 CO -0.05 0.32 -0.18 -0.51 0.02 0.00 0.00 175.26 174.86 1i50 s ASP 145 N -2.12 3.37 -0.07 -0.19 1.11 -1.26 -1.09 116.67 116.41 1i50 s ASP 145 Ca 0.09 -0.57 0.03 0.00 0.18 0.00 0.00 52.55 52.29 1i50 s ASP 145 Cb -0.09 -1.52 0.01 0.00 1.07 0.00 0.00 42.92 42.39 1i50 s ASP 145 CO 0.05 0.04 -0.17 0.26 1.18 0.00 0.00 175.17 176.53 1i50 s TRP 146 N 1.08 1.88 0.34 4.23 0.52 -0.66 -4.98 118.94 121.35 1i50 s TRP 146 Ca -0.00 -0.70 -0.23 0.00 0.02 0.00 0.00 56.10 55.19 1i50 s TRP 146 Cb -0.14 -1.30 -0.10 0.00 -1.15 0.00 0.00 33.47 30.78 1i50 s TRP 146 CO -0.06 -0.30 0.91 -1.54 0.02 0.00 0.00 176.95 175.98 1i50 s SER 147 N 0.43 7.15 0.39 2.95 1.04 -1.26 -0.23 113.70 124.17 1i50 s SER 147 Ca -0.14 1.71 0.10 0.00 0.48 0.00 0.00 55.95 58.10 1i50 s SER 147 Cb -0.16 -2.54 0.87 0.00 0.10 0.00 0.00 66.02 64.30 1i50 s SER 147 CO 0.05 -0.16 1.95 0.58 0.98 0.00 0.00 173.24 176.65 1i50 h VAL 148 N 2.37 0.94 -0.34 5.02 2.07 -1.24 -0.56 116.25 124.52 1i50 h VAL 148 Ca -0.48 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.88 1i50 h VAL 148 Cb 1.19 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1i50 h VAL 148 CO 0.64 0.11 0.12 -0.33 0.02 0.00 0.00 177.57 178.13 1i50 h GLU 149 N 0.60 0.25 0.41 1.57 5.08 -1.79 -3.09 114.58 117.62 1i50 h GLU 149 Ca 0.32 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1i50 h GLU 149 Cb 0.46 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1i50 h GLU 149 CO -0.11 0.17 -0.20 0.93 -1.00 0.00 0.00 179.01 178.80 1i50 h GLU 150 N 0.26 -0.53 -6.17 2.33 5.08 -1.50 -3.45 114.58 110.60 1i50 h GLU 150 Ca 0.15 0.04 -0.72 0.00 -1.00 0.00 0.00 59.36 57.83 1i50 h GLU 150 Cb 0.12 0.12 0.05 0.00 0.50 0.00 0.00 28.75 29.55 1i50 h GLU 150 CO -0.16 -0.35 0.35 1.28 -1.00 0.00 0.00 179.01 179.13 1i50 n LEU 151 N -5.32 1.13 -4.72 1.33 4.77 -0.84 -4.93 117.00 108.41 1i50 n LEU 151 Ca -0.11 1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 56.60 1i50 n LEU 151 Cb 0.24 -1.09 -0.04 0.00 -2.33 0.00 0.00 43.42 40.19 1i50 n LEU 151 CO 0.36 -1.30 0.50 -0.63 -1.33 0.00 0.00 177.39 174.99 1i50 s ILE 152 N 0.49 4.93 -0.50 -0.08 1.01 -0.93 -4.80 121.20 121.31 1i50 s ILE 152 Ca 0.88 1.67 -0.08 0.00 0.00 0.00 0.00 60.65 63.11 1i50 s ILE 152 Cb -1.07 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 37.39 1i50 s ILE 152 CO 0.52 0.24 0.37 -0.69 0.00 0.00 0.00 174.94 175.38 1i50 s VAL 153 N 0.70 4.15 -0.23 2.92 1.01 -1.26 -1.12 120.40 126.57 1i50 s VAL 153 Ca 0.42 -1.99 -0.03 0.00 0.00 0.00 0.00 61.98 60.38 1i50 s VAL 153 Cb -0.19 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1i50 s VAL 153 CO 0.22 -0.80 0.22 -0.62 0.00 0.00 0.00 175.10 174.13 1i50 s ASP 154 N 2.34 1.69 0.00 3.32 -1.08 -1.26 -5.07 116.67 116.61 1i50 s ASP 154 Ca 0.08 -0.46 0.00 0.00 -0.52 0.00 0.00 52.55 51.65 1i50 s ASP 154 Cb -0.24 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 1i50 s ASP 154 CO -0.02 -0.35 0.17 0.18 0.52 0.00 0.00 175.17 175.67