#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtg n LYS 72 N 0.00 -1.45 -3.58 3.44 2.85 -1.26 -5.09 118.16 113.07 3gtg n LYS 72 Ca 0.00 1.17 -0.16 0.00 -1.05 0.00 0.00 58.31 58.28 3gtg n LYS 72 Cb 0.00 -1.49 -0.07 0.00 -0.65 0.00 0.00 35.03 32.83 3gtg n LYS 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3gtg s ALA 73 N -0.12 -1.78 0.60 0.58 0.00 -1.26 -4.76 121.76 115.01 3gtg s ALA 73 Ca -0.03 1.69 -0.18 0.00 0.00 0.00 0.00 51.96 53.45 3gtg s ALA 73 Cb 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 23.12 22.36 3gtg s ALA 73 CO 0.07 -0.35 0.04 -0.89 0.00 0.00 0.00 175.76 174.63 3gtg n ILE 74 N 1.82 0.74 -1.74 0.00 -0.00 -1.16 -4.88 119.36 114.15 3gtg n ILE 74 Ca -0.16 -0.49 -0.33 0.00 -0.00 0.00 0.00 62.75 61.78 3gtg n ILE 74 Cb 0.56 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.64 39.93 3gtg n ILE 74 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3gtg n PRO 75 N 0.96 3.06 0.00 0.38 -0.02 -1.26 -4.94 135.00 133.18 3gtg n PRO 75 Ca 0.08 -2.92 0.00 0.00 -2.02 0.00 0.00 63.50 58.64 3gtg n PRO 75 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3gtg n PRO 75 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gtg n LYS 76 N 0.69 0.00 -0.15 -0.52 4.81 -1.26 -4.78 118.16 116.95 3gtg n LYS 76 Ca 0.52 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.93 3gtg n LYS 76 Cb 0.42 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.49 3gtg n LYS 76 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3gtg n ASP 77 N 2.19 -0.77 -2.49 3.14 5.68 -1.26 -4.70 116.55 118.34 3gtg n ASP 77 Ca 0.00 -0.73 -0.05 0.00 -0.50 0.00 0.00 54.79 53.51 3gtg n ASP 77 Cb 0.00 -0.12 0.02 0.00 -1.14 0.00 0.00 41.12 39.89 3gtg n ASP 77 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gtg n GLN 78 N -1.71 -1.11 -0.18 0.11 6.02 -1.26 -4.93 117.38 114.32 3gtg n GLN 78 Ca 0.02 0.75 -0.05 0.00 -0.01 0.00 0.00 57.00 57.71 3gtg n GLN 78 Cb 0.07 -4.06 -0.04 0.00 1.02 0.00 0.00 30.24 27.23 3gtg n GLN 78 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3gtg n ARG 79 N -2.10 -0.19 0.00 -1.09 5.12 -1.26 -4.71 116.66 112.44 3gtg n ARG 79 Ca -0.02 0.78 0.00 0.00 -1.93 0.00 0.00 57.85 56.68 3gtg n ARG 79 Cb 0.54 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 3gtg n ARG 79 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gtg n ALA 80 N -3.31 0.00 -2.48 7.54 0.00 -1.26 -4.73 120.51 116.27 3gtg n ALA 80 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gtg n ALA 80 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3gtg n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gtg n THR 81 N 0.00 0.00 -2.91 0.00 -2.24 -1.26 -5.10 114.28 102.77 3gtg n THR 81 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3gtg n THR 81 Cb 0.00 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 3gtg n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gtg s THR 82 N 1.61 4.54 -2.23 4.28 2.01 -1.26 -4.94 115.64 119.65 3gtg s THR 82 Ca 0.00 1.78 0.19 0.00 0.31 0.00 0.00 61.69 63.97 3gtg s THR 82 Cb 0.00 -4.18 0.43 0.00 0.01 0.00 0.00 72.50 68.75 3gtg s THR 82 CO 0.00 0.40 1.46 -0.81 -0.69 0.00 0.00 174.62 174.98 3gtg n PRO 83 N 2.42 1.87 -3.94 4.92 -0.04 -1.26 -4.91 135.00 134.06 3gtg n PRO 83 Ca -0.02 -1.33 -0.33 0.00 -0.04 0.00 0.00 63.50 61.78 3gtg n PRO 83 Cb 0.49 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 3gtg n PRO 83 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gtg s TYR 84 N -1.67 3.49 -0.09 0.54 1.51 -1.26 -1.90 117.35 117.97 3gtg s TYR 84 Ca 0.32 0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 56.40 3gtg s TYR 84 Cb 0.17 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 3gtg s TYR 84 CO 0.25 0.62 1.19 1.41 -1.11 0.00 0.00 175.55 177.92 3gtg s MET 85 N -1.95 4.33 0.31 -0.62 1.75 -0.11 -4.87 119.30 118.14 3gtg s MET 85 Ca 0.27 1.64 -0.22 0.00 -1.25 0.00 0.00 55.69 56.13 3gtg s MET 85 Cb -0.13 -3.60 -0.09 0.00 2.84 0.00 0.00 34.83 33.85 3gtg s MET 85 CO 0.18 -0.50 0.86 0.95 -0.65 0.00 0.00 175.02 175.87 3gtg s THR 86 N 2.49 4.39 0.28 10.11 -4.23 -1.26 -4.79 115.64 122.63 3gtg s THR 86 Ca 0.55 1.52 0.01 0.00 -1.18 0.00 0.00 61.69 62.59 3gtg s THR 86 Cb -0.23 -3.86 0.26 0.00 1.34 0.00 0.00 72.50 70.01 3gtg s THR 86 CO 0.20 0.06 1.74 0.07 -0.54 0.00 0.00 174.62 176.15 3gtg h LYS 87 N 2.97 0.55 0.00 3.99 2.10 -1.99 0.70 116.57 124.89 3gtg h LYS 87 Ca -0.48 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 3gtg h LYS 87 Cb 1.19 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3gtg h LYS 87 CO 0.64 0.37 -0.04 1.88 -2.00 0.00 0.00 179.45 180.30 3gtg h TYR 88 N 0.57 0.00 0.00 0.07 -1.99 -1.99 -1.42 116.97 112.20 3gtg h TYR 88 Ca 0.51 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 61.19 3gtg h TYR 88 Cb 0.81 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 3gtg h TYR 88 CO -0.10 0.04 -0.41 0.93 -0.00 0.00 0.00 178.16 178.63 3gtg h GLU 89 N 0.00 0.00 -0.62 4.88 5.08 -0.03 -3.19 114.58 120.71 3gtg h GLU 89 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3gtg h GLU 89 Cb 0.35 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.51 3gtg h GLU 89 CO 0.01 0.36 -0.48 -0.09 -1.00 0.00 0.00 179.01 177.80 3gtg h ARG 90 N -1.00 -0.14 -0.06 2.33 2.43 -1.07 0.34 114.38 117.21 3gtg h ARG 90 Ca -0.07 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3gtg h ARG 90 Cb 0.59 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 3gtg h ARG 90 CO -0.04 -0.09 -0.22 0.00 -1.51 0.00 0.00 179.97 178.10 3gtg h ALA 91 N 0.03 -0.24 -1.00 2.80 0.00 -1.46 -0.69 119.26 118.70 3gtg h ALA 91 Ca 0.10 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3gtg h ALA 91 Cb 0.41 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3gtg h ALA 91 CO -0.66 -0.70 0.63 -0.09 0.00 0.00 0.00 179.25 178.44 3gtg h ARG 92 N -0.32 1.04 0.70 0.00 9.65 -1.26 -0.95 114.38 123.24 3gtg h ARG 92 Ca 0.08 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3gtg h ARG 92 Cb 0.43 -0.23 0.01 0.00 -1.39 0.00 0.00 29.97 28.78 3gtg h ARG 92 CO -0.24 0.69 -0.34 0.82 2.80 0.00 0.00 179.97 183.70 3gtg h ILE 93 N 1.07 0.00 -0.97 1.20 1.08 0.38 -2.03 117.51 118.24 3gtg h ILE 93 Ca 0.46 -0.24 0.10 0.00 -0.39 0.00 0.00 64.86 64.79 3gtg h ILE 93 Cb 0.34 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.96 3gtg h ILE 93 CO -0.22 0.00 -0.53 0.18 -0.69 0.00 0.00 178.15 176.88 3gtg n LEU 94 N -5.20 -0.95 -0.29 1.44 4.77 -0.33 -0.26 117.00 116.17 3gtg n LEU 94 Ca -0.12 1.73 -0.03 0.00 -0.03 0.00 0.00 56.01 57.56 3gtg n LEU 94 Cb 0.37 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3gtg n LEU 94 CO 0.28 -1.44 0.61 1.23 -1.33 0.00 0.00 177.39 176.75 3gtg h GLY 95 N 0.00 0.03 2.00 -0.72 0.00 -1.16 0.31 103.07 103.53 3gtg h GLY 95 Ca 0.19 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.97 3gtg h GLY 95 CO -0.93 -0.21 -0.09 -0.84 0.00 0.00 0.00 176.54 174.47 3gtg h THR 96 N -0.07 0.26 -0.00 4.70 2.02 0.14 -0.75 112.91 119.21 3gtg h THR 96 Ca 0.30 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3gtg h THR 96 Cb 0.58 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3gtg h THR 96 CO -0.84 0.09 -0.13 -0.09 0.37 0.00 0.00 175.52 174.92 3gtg h ARG 97 N 0.00 0.09 0.00 6.66 1.12 0.27 -3.21 114.38 119.31 3gtg h ARG 97 Ca -0.00 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 3gtg h ARG 97 Cb 0.52 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 3gtg h ARG 97 CO 0.01 0.86 0.04 0.00 -3.11 0.00 0.00 179.97 177.77 3gtg n ALA 98 N -2.52 1.04 -0.34 2.80 0.00 0.93 0.14 120.51 122.55 3gtg n ALA 98 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.40 3gtg n ALA 98 Cb 0.45 -0.87 0.16 0.00 0.00 0.00 0.00 19.45 19.19 3gtg n ALA 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gtg n LEU 99 N -1.25 3.02 -0.05 0.00 -0.00 -0.48 -3.43 117.00 114.82 3gtg n LEU 99 Ca 0.00 -2.22 -0.10 0.00 -0.00 0.00 0.00 56.01 53.69 3gtg n LEU 99 Cb 0.04 -0.28 -0.05 0.00 -0.00 0.00 0.00 43.42 43.14 3gtg n LEU 99 CO 0.00 0.70 -0.87 0.00 -0.00 0.00 0.00 177.39 177.22 3gtg n GLN 100 N 0.18 0.25 0.04 1.96 6.02 0.37 -4.53 117.38 121.68 3gtg n GLN 100 Ca 0.13 0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 3gtg n GLN 100 Cb 0.51 -1.06 -0.04 0.00 1.02 0.00 0.00 30.24 30.66 3gtg n GLN 100 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3gtg h ILE 101 N -0.20 0.68 -0.93 5.09 2.04 -1.37 -0.73 117.51 122.10 3gtg h ILE 101 Ca -0.26 0.00 0.27 0.00 1.00 0.00 0.00 64.86 65.87 3gtg h ILE 101 Cb 1.31 0.68 -0.15 0.00 -0.74 0.00 0.00 36.82 37.92 3gtg h ILE 101 CO -0.10 0.00 0.31 0.77 0.00 0.00 0.00 178.15 179.13 3gtg h SER 102 N -0.20 0.09 -1.81 1.72 4.64 -1.79 -2.73 113.55 113.47 3gtg h SER 102 Ca 0.05 0.21 -0.77 0.00 -0.47 0.00 0.00 61.79 60.81 3gtg h SER 102 Cb 0.27 0.26 -0.19 0.00 -0.31 0.00 0.00 62.40 62.43 3gtg h SER 102 CO -0.14 -0.19 1.69 0.23 -0.87 0.00 0.00 176.83 177.55 3gtg n MET 103 N -5.21 4.01 -1.96 4.77 2.81 -0.29 -4.86 117.12 116.39 3gtg n MET 103 Ca 0.25 -3.84 0.00 0.00 -1.81 0.00 0.00 57.70 52.30 3gtg n MET 103 Cb 0.80 -2.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.54 3gtg n MET 103 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3gtg n ASN 104 N 2.84 0.00 -4.92 7.83 6.94 -1.03 -4.87 115.26 122.04 3gtg n ASN 104 Ca 0.38 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.64 3gtg n ASN 104 Cb 0.34 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.72 3gtg n ASN 104 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gtg s ALA 105 N -2.17 3.95 0.45 -2.53 0.00 -1.18 -5.05 121.76 115.22 3gtg s ALA 105 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 3gtg s ALA 105 Cb 0.00 -1.89 -0.10 0.00 0.00 0.00 0.00 23.12 21.13 3gtg s ALA 105 CO 0.00 0.71 0.98 -2.30 0.00 0.00 0.00 175.76 175.15 3gtg n PRO 106 N 0.00 1.26 -4.19 0.00 -0.02 -1.26 -4.68 135.00 126.11 3gtg n PRO 106 Ca -0.05 0.46 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 3gtg n PRO 106 Cb 0.52 -2.04 -0.09 0.00 -0.02 0.00 0.00 33.50 31.87 3gtg n PRO 106 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gtg s VAL 107 N -1.32 3.63 -0.19 -1.45 1.01 -1.26 -4.93 120.40 115.89 3gtg s VAL 107 Ca 0.65 -1.22 0.14 0.00 0.00 0.00 0.00 61.98 61.54 3gtg s VAL 107 Cb -0.54 -2.73 0.38 0.00 0.00 0.00 0.00 36.38 33.49 3gtg s VAL 107 CO 0.56 0.07 1.22 0.49 0.00 0.00 0.00 175.10 177.44 3gtg n PHE 108 N 0.49 0.14 -4.25 5.22 0.99 -1.26 -4.95 117.46 113.83 3gtg n PHE 108 Ca -0.12 -1.29 -0.20 0.00 -0.00 0.00 0.00 57.45 55.84 3gtg n PHE 108 Cb 0.53 -0.24 -0.12 0.00 -1.00 0.00 0.00 39.48 38.66 3gtg n PHE 108 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3gtg s VAL 109 N -3.09 1.43 -0.32 -4.37 1.01 -1.26 -4.94 120.40 108.87 3gtg s VAL 109 Ca 0.37 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 3gtg s VAL 109 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3gtg s VAL 109 CO -0.02 -0.30 1.33 -1.81 0.00 0.00 0.00 175.10 174.30 3gtg s ASP 110 N -2.25 6.60 -0.29 3.32 -0.00 -1.26 -4.97 116.67 117.82 3gtg s ASP 110 Ca 0.07 1.14 -0.29 0.00 -0.00 0.00 0.00 52.55 53.47 3gtg s ASP 110 Cb -0.07 -2.54 -0.01 0.00 -0.00 0.00 0.00 42.92 40.30 3gtg s ASP 110 CO 0.04 -1.15 1.59 -0.76 -0.00 0.00 0.00 175.17 174.89 3gtg s LEU 111 N 4.59 3.73 -1.38 1.23 2.01 -1.26 -4.89 118.68 122.71 3gtg s LEU 111 Ca 0.57 1.35 -0.13 0.00 0.01 0.00 0.00 54.13 55.93 3gtg s LEU 111 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 46.19 42.47 3gtg s LEU 111 CO 0.25 -1.39 2.44 1.21 1.01 0.00 0.00 176.35 179.87 3gtg n GLU 112 N 7.91 2.91 -3.64 1.70 2.13 -1.26 -4.49 120.64 125.91 3gtg n GLU 112 Ca 0.19 -2.25 -0.27 0.00 0.66 0.00 0.00 57.16 55.49 3gtg n GLU 112 Cb 0.46 -2.99 0.01 0.00 0.27 0.00 0.00 31.44 29.19 3gtg n GLU 112 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gtg n GLY 113 N 3.93 -0.49 3.72 8.31 0.00 -1.26 -5.00 105.19 114.41 3gtg n GLY 113 Ca 0.60 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 46.49 3gtg n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gtg s GLU 114 N -6.32 2.63 0.00 1.61 2.02 -1.26 -5.06 118.70 112.32 3gtg s GLU 114 Ca 0.53 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.56 3gtg s GLU 114 Cb -0.27 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.45 3gtg s GLU 114 CO 0.65 0.48 0.00 0.25 0.02 0.00 0.00 175.26 176.67 3gtg n THR 115 N -0.08 0.00 -2.90 3.63 -2.24 -1.26 -4.97 114.28 106.46 3gtg n THR 115 Ca -0.09 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3gtg n THR 115 Cb 0.54 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.43 3gtg n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gtg s ASP 116 N -0.33 6.82 0.43 3.42 3.68 -1.26 -4.98 116.67 124.44 3gtg s ASP 116 Ca 0.00 1.02 0.18 0.00 2.13 0.00 0.00 52.55 55.88 3gtg s ASP 116 Cb 0.00 -2.43 1.10 0.00 -1.45 0.00 0.00 42.92 40.14 3gtg s ASP 116 CO 0.00 -0.51 1.86 -0.65 0.13 0.00 0.00 175.17 176.00 3gtg h PRO 117 N 7.69 0.37 0.00 4.34 0.11 -1.94 0.23 132.00 142.81 3gtg h PRO 117 Ca -0.23 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 3gtg h PRO 117 Cb 1.09 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3gtg h PRO 117 CO 0.87 0.25 -0.28 1.25 -0.21 0.00 0.00 178.00 179.88 3gtg h LEU 118 N 0.39 0.00 0.00 2.35 5.85 -1.94 -2.64 115.31 119.32 3gtg h LEU 118 Ca 0.46 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.07 3gtg h LEU 118 Cb 1.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3gtg h LEU 118 CO -0.16 0.28 -1.50 -1.14 -0.34 0.00 0.00 178.44 175.57 3gtg n ARG 119 N -3.28 0.63 -0.02 1.25 3.00 -0.06 -3.62 116.66 114.56 3gtg n ARG 119 Ca 0.01 0.10 -0.16 0.00 -0.00 0.00 0.00 57.85 57.81 3gtg n ARG 119 Cb 0.55 -1.73 -0.11 0.00 0.00 0.00 0.00 32.46 31.16 3gtg n ARG 119 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3gtg h ILE 120 N 0.00 1.50 0.00 5.15 5.03 -0.66 -3.25 117.51 125.28 3gtg h ILE 120 Ca -0.13 -1.93 -0.01 0.00 -0.12 0.00 0.00 64.86 62.66 3gtg h ILE 120 Cb 1.39 2.67 -0.00 0.00 -3.03 0.00 0.00 36.82 37.84 3gtg h ILE 120 CO 0.02 0.54 -0.07 0.00 -0.68 0.00 0.00 178.15 177.96 3gtg h ALA 121 N 0.30 1.42 -0.11 1.87 0.00 -1.63 0.39 119.26 121.50 3gtg h ALA 121 Ca -0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3gtg h ALA 121 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3gtg h ALA 121 CO 0.06 0.08 -0.29 0.52 0.00 0.00 0.00 179.25 179.63 3gtg h MET 122 N 0.00 0.20 0.11 0.00 2.86 -1.63 -1.13 114.93 115.34 3gtg h MET 122 Ca -0.00 -0.07 -0.29 0.00 -2.06 0.00 0.00 59.70 57.28 3gtg h MET 122 Cb 0.18 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 31.85 3gtg h MET 122 CO 0.01 0.48 -1.21 -0.22 1.06 0.00 0.00 176.91 177.03 3gtg h LYS 123 N 0.18 0.57 0.00 1.72 3.64 -0.38 -2.87 116.57 119.43 3gtg h LYS 123 Ca 0.03 -0.75 -0.01 0.00 -1.27 0.00 0.00 60.65 58.65 3gtg h LYS 123 Cb 0.61 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3gtg h LYS 123 CO 0.04 1.33 -0.03 0.93 -2.27 0.00 0.00 179.45 179.46 3gtg h GLU 124 N 0.25 0.00 -0.00 1.90 5.08 -0.76 -2.70 114.58 118.36 3gtg h GLU 124 Ca -0.17 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3gtg h GLU 124 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3gtg h GLU 124 CO 0.23 0.03 -0.17 1.25 -1.00 0.00 0.00 179.01 179.35 3gtg h LEU 125 N 0.00 0.16 -1.02 1.33 5.85 -1.17 -2.09 115.31 118.37 3gtg h LEU 125 Ca -0.00 -0.76 0.14 0.00 0.84 0.00 0.00 57.88 58.10 3gtg h LEU 125 Cb 0.10 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 3gtg h LEU 125 CO 0.00 0.90 0.63 0.00 -0.34 0.00 0.00 178.44 179.63 3gtg h ALA 126 N 0.26 1.57 -0.00 1.25 0.00 -1.26 -1.90 119.26 119.18 3gtg h ALA 126 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gtg h ALA 126 Cb 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gtg h ALA 126 CO 0.03 0.15 -0.35 0.39 0.00 0.00 0.00 179.25 179.47 3gtg n GLU 127 N -4.65 0.48 -1.29 0.00 1.02 -1.04 -4.96 120.64 110.19 3gtg n GLU 127 Ca 0.20 -0.27 -0.10 0.00 -0.02 0.00 0.00 57.16 56.97 3gtg n GLU 127 Cb 0.42 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 3gtg n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gtg n LYS 128 N -1.02 -1.10 -0.85 3.49 4.76 -0.71 -4.89 118.16 117.83 3gtg n LYS 128 Ca 0.09 0.81 -0.17 0.00 -2.87 0.00 0.00 58.31 56.18 3gtg n LYS 128 Cb 0.34 -4.89 0.12 0.00 -1.84 0.00 0.00 35.03 28.76 3gtg n LYS 128 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3gtg n LYS 129 N -1.91 1.86 -2.99 1.97 5.02 -1.10 -4.49 118.16 116.52 3gtg n LYS 129 Ca -0.10 -2.07 -0.42 0.00 -2.02 0.00 0.00 58.31 53.70 3gtg n LYS 129 Cb 0.43 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 3gtg n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gtg s ILE 130 N -2.28 4.85 -1.20 -0.18 1.01 -1.26 -4.90 121.20 117.24 3gtg s ILE 130 Ca 0.39 1.15 -0.11 0.00 0.00 0.00 0.00 60.65 62.09 3gtg s ILE 130 Cb 0.33 -4.09 0.21 0.00 0.01 0.00 0.00 42.46 38.92 3gtg s ILE 130 CO 0.07 -0.18 1.49 -0.81 0.00 0.00 0.00 174.94 175.52 3gtg n PRO 131 N 6.06 3.60 -3.92 2.79 -0.04 -1.26 -4.53 135.00 137.70 3gtg n PRO 131 Ca 0.02 -3.98 -0.10 0.00 -0.04 0.00 0.00 63.50 59.41 3gtg n PRO 131 Cb 0.48 -2.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.00 3gtg n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gtg s LEU 132 N 0.07 1.76 -0.15 1.53 1.43 -1.26 -5.08 118.68 116.98 3gtg s LEU 132 Ca 0.38 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3gtg s LEU 132 Cb -0.00 0.60 0.03 0.00 0.03 0.00 0.00 46.19 46.85 3gtg s LEU 132 CO -0.00 -0.47 -0.11 0.54 0.23 0.00 0.00 176.35 176.54 3gtg s VAL 133 N -2.29 1.38 0.55 -1.59 0.11 -1.26 -2.05 120.40 115.25 3gtg s VAL 133 Ca -0.08 -0.62 -0.20 0.00 -2.93 0.00 0.00 61.98 58.16 3gtg s VAL 133 Cb -0.03 -1.39 -0.05 0.00 -1.53 0.00 0.00 36.38 33.38 3gtg s VAL 133 CO -0.03 0.34 1.17 -0.63 -3.33 0.00 0.00 175.10 172.62 3gtg s ILE 134 N 1.55 2.90 -0.30 7.04 -1.09 -0.15 -4.93 121.20 126.22 3gtg s ILE 134 Ca 0.03 0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 59.03 3gtg s ILE 134 Cb -0.14 -3.25 0.09 0.00 -1.58 0.00 0.00 42.46 37.59 3gtg s ILE 134 CO -0.09 -0.10 0.08 -0.60 -1.23 0.00 0.00 174.94 172.99 3gtg s ARG 135 N -3.21 0.86 -0.10 2.79 3.52 -1.25 -2.32 118.95 119.24 3gtg s ARG 135 Ca 0.73 -1.11 -0.26 0.00 -0.13 0.00 0.00 55.73 54.97 3gtg s ARG 135 Cb -0.28 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.90 3gtg s ARG 135 CO 0.31 -0.93 0.82 1.03 -0.81 0.00 0.00 175.30 175.72 3gtg s ARG 136 N 1.54 4.39 -0.04 5.12 0.52 0.91 -4.86 118.95 126.52 3gtg s ARG 136 Ca 0.08 1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 56.17 3gtg s ARG 136 Cb -0.18 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 3gtg s ARG 136 CO -0.20 -0.15 0.46 0.71 0.02 0.00 0.00 175.30 176.14 3gtg s TYR 137 N 1.50 3.65 -0.19 -0.53 4.12 -1.26 -1.61 117.35 123.02 3gtg s TYR 137 Ca 0.41 0.99 -0.04 0.00 0.02 0.00 0.00 57.07 58.45 3gtg s TYR 137 Cb -0.18 -2.44 -0.02 0.00 -1.52 0.00 0.00 41.96 37.81 3gtg s TYR 137 CO 0.17 0.43 -0.04 -0.51 0.02 0.00 0.00 175.55 175.61 3gtg s LEU 138 N -0.33 3.01 0.05 -1.29 1.43 0.20 -5.01 118.68 116.73 3gtg s LEU 138 Ca 0.25 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3gtg s LEU 138 Cb -0.16 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.37 3gtg s LEU 138 CO 0.13 0.05 0.30 -2.65 0.23 0.00 0.00 176.35 174.41 3gtg n PRO 139 N 4.30 -0.03 0.15 1.29 -0.02 -1.26 0.14 135.00 139.57 3gtg n PRO 139 Ca -0.18 0.29 0.11 0.00 -2.02 0.00 0.00 63.50 61.70 3gtg n PRO 139 Cb 0.52 -0.44 0.55 0.00 -0.02 0.00 0.00 33.50 34.11 3gtg n PRO 139 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3gtg n ASP 140 N -4.29 0.54 0.00 2.55 5.75 -1.26 -4.82 116.55 115.01 3gtg n ASP 140 Ca 0.02 0.74 0.00 0.00 -0.01 0.00 0.00 54.79 55.54 3gtg n ASP 140 Cb 0.09 -0.81 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 3gtg n ASP 140 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gtg n GLY 141 N -1.17 0.78 3.75 6.12 0.00 0.38 -5.12 105.19 109.93 3gtg n GLY 141 Ca -0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3gtg n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtg s SER 142 N -0.83 3.71 0.21 1.61 1.04 -1.19 -4.66 113.70 113.58 3gtg s SER 142 Ca 0.00 1.33 -0.09 0.00 0.48 0.00 0.00 55.95 57.67 3gtg s SER 142 Cb 0.00 -2.02 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 3gtg s SER 142 CO 0.00 -2.47 0.35 0.72 0.98 0.00 0.00 173.24 172.82 3gtg s PHE 143 N -3.05 0.51 0.02 5.02 -0.12 -1.26 -0.63 117.98 118.48 3gtg s PHE 143 Ca 0.63 -0.85 0.04 0.00 -0.05 0.00 0.00 56.93 56.71 3gtg s PHE 143 Cb -0.16 -0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 3gtg s PHE 143 CO 0.56 -0.83 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.55 3gtg s GLU 144 N -4.02 0.96 -0.49 1.99 2.02 -0.63 -2.99 118.70 115.53 3gtg s GLU 144 Ca 0.23 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.60 3gtg s GLU 144 Cb 0.02 -0.95 0.13 0.00 0.10 0.00 0.00 34.13 33.43 3gtg s GLU 144 CO 0.06 0.24 0.25 -0.51 0.02 0.00 0.00 175.26 175.32 3gtg s ASP 145 N -0.85 4.66 -0.22 -0.19 1.01 -1.26 -0.07 116.67 119.75 3gtg s ASP 145 Ca 0.03 -2.73 -0.16 0.00 0.71 0.00 0.00 52.55 50.39 3gtg s ASP 145 Cb -0.07 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 3gtg s ASP 145 CO 0.01 -0.31 0.41 0.26 0.21 0.00 0.00 175.17 175.74 3gtg s TRP 146 N 0.11 3.34 0.64 4.23 0.52 -0.98 -4.93 118.94 121.86 3gtg s TRP 146 Ca 0.15 0.58 -0.12 0.00 0.02 0.00 0.00 56.10 56.73 3gtg s TRP 146 Cb -0.23 -2.56 -0.02 0.00 -1.15 0.00 0.00 33.47 29.51 3gtg s TRP 146 CO -0.03 -0.08 1.04 -1.54 0.02 0.00 0.00 176.95 176.36 3gtg s SER 147 N 1.21 5.79 0.00 2.95 1.04 -1.26 -0.98 113.70 122.46 3gtg s SER 147 Ca 0.19 1.58 0.16 0.00 0.48 0.00 0.00 55.95 58.35 3gtg s SER 147 Cb -0.15 -2.49 0.72 0.00 0.10 0.00 0.00 66.02 64.20 3gtg s SER 147 CO 0.08 -1.16 1.49 0.52 0.98 0.00 0.00 173.24 175.15 3gtg n VAL 148 N -2.73 0.13 0.08 5.02 0.31 -0.87 -0.97 118.33 119.30 3gtg n VAL 148 Ca 0.07 -0.18 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 3gtg n VAL 148 Cb 0.54 0.04 -0.13 0.00 -0.91 0.00 0.00 33.84 33.38 3gtg n VAL 148 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3gtg h GLU 149 N 1.01 0.15 0.14 5.55 5.08 -1.82 -3.41 114.58 121.28 3gtg h GLU 149 Ca 0.00 -0.25 -0.32 0.00 -1.00 0.00 0.00 59.36 57.78 3gtg h GLU 149 Cb 0.22 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3gtg h GLU 149 CO 0.00 1.11 -1.62 0.93 -1.00 0.00 0.00 179.01 178.43 3gtg h GLU 150 N 0.04 0.30 -6.77 2.33 5.08 -1.42 -3.46 114.58 110.67 3gtg h GLU 150 Ca -0.08 -0.51 -0.51 0.00 -1.00 0.00 0.00 59.36 57.26 3gtg h GLU 150 Cb 1.88 0.19 0.02 0.00 0.50 0.00 0.00 28.75 31.34 3gtg h GLU 150 CO 0.17 1.18 0.50 -0.51 -1.00 0.00 0.00 179.01 179.34 3gtg s LEU 151 N -7.08 4.52 0.27 1.33 1.43 -1.00 -5.00 118.68 113.16 3gtg s LEU 151 Ca -0.12 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 54.96 3gtg s LEU 151 Cb 0.06 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.57 3gtg s LEU 151 CO 0.85 -0.21 1.01 -0.63 0.23 0.00 0.00 176.35 177.60 3gtg s ILE 152 N -0.84 3.82 -0.34 -0.59 1.01 -0.80 -4.89 121.20 118.58 3gtg s ILE 152 Ca 0.47 1.78 -0.05 0.00 0.00 0.00 0.00 60.65 62.85 3gtg s ILE 152 Cb -0.32 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.09 3gtg s ILE 152 CO 0.40 0.38 0.09 -0.69 0.00 0.00 0.00 174.94 175.12 3gtg s VAL 153 N -1.24 3.49 0.00 2.92 1.01 -1.26 -0.94 120.40 124.38 3gtg s VAL 153 Ca 0.44 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3gtg s VAL 153 Cb -0.28 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3gtg s VAL 153 CO 0.35 -0.22 0.00 -0.67 0.00 0.00 0.00 175.10 174.56 3gtg n ASP 154 N 4.73 0.00 0.00 3.32 2.03 -1.26 -5.05 116.55 120.32 3gtg n ASP 154 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 3gtg n ASP 154 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 3gtg n ASP 154 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46