#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x n GLU 71 N 0.00 -1.80 -2.53 0.03 4.71 -1.26 -4.70 120.64 115.10 1a6x n GLU 71 Ca 0.00 1.72 -0.01 0.00 -0.01 0.00 0.00 57.16 58.86 1a6x n GLU 71 Cb 0.00 -4.46 -0.01 0.00 -1.01 0.00 0.00 31.44 25.96 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a6x n ALA 72 N -0.26 -3.47 0.02 0.62 0.00 -1.26 -4.94 120.51 111.22 1a6x n ALA 72 Ca 0.08 0.78 -0.18 0.00 0.00 0.00 0.00 53.44 54.11 1a6x n ALA 72 Cb 0.29 -1.53 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 1a6x n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a6x h PRO 73 N 2.82 0.70 -5.46 0.00 0.13 -2.11 -3.48 132.00 124.60 1a6x h PRO 73 Ca -0.10 -0.68 -0.05 0.00 -0.87 0.00 0.00 66.00 64.30 1a6x h PRO 73 Cb 0.23 0.17 0.01 0.00 0.13 0.00 0.00 31.00 31.54 1a6x h PRO 73 CO 0.07 1.27 -0.12 0.00 -0.23 0.00 0.00 178.00 178.99 1a6x n ALA 74 N -2.62 -2.52 -1.67 -0.56 0.00 -1.26 -4.97 120.51 106.92 1a6x n ALA 74 Ca -0.09 -0.01 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1a6x n ALA 74 Cb 0.82 -1.71 0.02 0.00 0.00 0.00 0.00 19.45 18.58 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 75 N -3.02 2.78 -0.12 0.00 0.00 -1.26 -5.01 121.76 115.12 1a6x s ALA 75 Ca 0.03 0.24 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 1a6x s ALA 75 Cb -0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1a6x s ALA 75 CO 0.76 -0.87 -0.15 0.00 0.00 0.00 0.00 175.76 175.50 1a6x n ALA 76 N -2.38 0.37 -3.41 0.00 0.00 -1.26 -4.78 120.51 109.05 1a6x n ALA 76 Ca 0.08 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.89 1a6x n ALA 76 Cb 0.53 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a6x n GLU 77 N -4.19 1.21 -0.31 0.00 4.07 -1.26 -4.98 120.64 115.18 1a6x n GLU 77 Ca -0.06 -3.77 -0.10 0.00 -0.06 0.00 0.00 57.16 53.18 1a6x n GLU 77 Cb 0.22 -1.75 -0.08 0.00 -0.06 0.00 0.00 31.44 29.77 1a6x n GLU 77 CO 0.00 0.00 0.00 0.97 -0.06 0.00 0.00 177.13 178.04 1a6x h ILE 78 N 3.30 0.00 -6.32 6.31 2.10 -1.96 -3.46 117.51 117.48 1a6x h ILE 78 Ca 0.16 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.08 1a6x h ILE 78 Cb 0.81 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 1a6x h ILE 78 CO 0.57 0.00 -1.00 -1.54 -1.08 0.00 0.00 178.15 175.10 1a6x n SER 79 N -4.91 -6.42 -3.75 2.19 3.41 -1.26 -4.86 113.62 98.03 1a6x n SER 79 Ca 0.01 0.36 -0.19 0.00 -0.26 0.00 0.00 58.87 58.79 1a6x n SER 79 Cb 0.23 -1.55 0.12 0.00 -0.26 0.00 0.00 64.21 62.75 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 80 N 1.19 -2.33 2.77 5.00 0.00 -1.26 -4.91 105.19 105.66 1a6x n GLY 80 Ca -0.01 -0.63 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 1a6x n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a6x s HIS 81 N -2.08 0.41 -0.21 1.61 5.65 0.48 -4.88 115.29 116.28 1a6x s HIS 81 Ca 0.34 -0.01 -0.21 0.00 0.25 0.00 0.00 55.06 55.43 1a6x s HIS 81 Cb -0.04 -0.59 -0.02 0.00 -1.18 0.00 0.00 32.58 30.74 1a6x s HIS 81 CO 0.36 -0.22 0.65 0.42 -0.65 0.00 0.00 174.74 175.29 1a6x s ILE 82 N 1.67 5.00 -0.32 0.89 -1.09 -1.26 -1.27 121.20 124.81 1a6x s ILE 82 Ca -0.01 1.21 -0.22 0.00 -2.23 0.00 0.00 60.65 59.40 1a6x s ILE 82 Cb -0.13 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1a6x s ILE 82 CO -0.03 0.09 0.73 -0.69 -1.23 0.00 0.00 174.94 173.80 1a6x s VAL 83 N 2.05 4.83 -0.32 2.92 1.01 -0.69 -4.99 120.40 125.21 1a6x s VAL 83 Ca 0.29 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 1a6x s VAL 83 Cb -0.16 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1a6x s VAL 83 CO 0.10 -0.27 0.18 -0.13 0.00 0.00 0.00 175.10 174.98 1a6x s ARG 84 N 2.87 3.43 -0.64 2.72 0.52 -1.26 0.12 118.95 126.72 1a6x s ARG 84 Ca 0.29 -0.67 -0.40 0.00 -0.52 0.00 0.00 55.73 54.44 1a6x s ARG 84 Cb -0.14 -3.64 -0.20 0.00 0.52 0.00 0.00 34.95 31.49 1a6x s ARG 84 CO 0.13 -0.41 2.30 -1.13 0.02 0.00 0.00 175.30 176.22 1a6x n SER 85 N 5.02 0.66 0.00 0.23 3.41 0.14 -4.71 113.62 118.38 1a6x n SER 85 Ca -0.13 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.12 1a6x n SER 85 Cb 0.49 -0.92 0.68 0.00 -0.26 0.00 0.00 64.21 64.20 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6x n PRO 86 N 7.80 0.75 -3.58 4.33 -0.04 -1.26 -3.22 135.00 139.78 1a6x n PRO 86 Ca 0.58 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.88 1a6x n PRO 86 Cb -0.01 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 1a6x n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x s MET 87 N -2.00 0.93 0.22 0.54 0.23 -1.26 -4.98 119.30 112.98 1a6x s MET 87 Ca 0.34 0.60 -0.28 0.00 -1.03 0.00 0.00 55.69 55.32 1a6x s MET 87 Cb 0.16 0.44 -0.09 0.00 -1.53 0.00 0.00 34.83 33.81 1a6x s MET 87 CO 0.26 -0.21 0.88 0.08 -2.03 0.00 0.00 175.02 174.00 1a6x s VAL 88 N -0.43 4.19 0.00 5.16 1.01 -1.26 -4.42 120.40 124.65 1a6x s VAL 88 Ca -0.06 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1a6x s VAL 88 Cb -0.03 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1a6x s VAL 88 CO 0.05 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1a6x n GLY 89 N 1.43 -0.51 3.48 4.51 0.00 -0.55 -4.74 105.19 108.81 1a6x n GLY 89 Ca -0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1a6x n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 90 N 0.00 1.66 -0.03 2.61 2.01 -0.33 0.25 115.64 121.81 1a6x s THR 90 Ca 0.00 -2.08 -0.01 0.00 0.31 0.00 0.00 61.69 59.91 1a6x s THR 90 Cb 0.00 -2.66 0.03 0.00 0.01 0.00 0.00 72.50 69.88 1a6x s THR 90 CO 0.00 -0.16 0.05 0.12 -0.69 0.00 0.00 174.62 173.95 1a6x s PHE 91 N -2.99 0.00 0.39 4.92 2.19 -0.19 -0.31 117.98 122.00 1a6x s PHE 91 Ca 0.33 0.21 0.08 0.00 0.33 0.00 0.00 56.93 57.88 1a6x s PHE 91 Cb 0.06 -0.26 -0.08 0.00 -1.31 0.00 0.00 43.02 41.44 1a6x s PHE 91 CO 0.14 -0.12 -0.02 0.71 1.83 0.00 0.00 175.22 177.76 1a6x s TYR 92 N 1.31 2.48 -0.19 10.12 2.02 0.10 0.05 117.35 133.25 1a6x s TYR 92 Ca -0.06 -0.62 0.06 0.00 -0.37 0.00 0.00 57.07 56.08 1a6x s TYR 92 Cb -0.13 -1.66 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 1a6x s TYR 92 CO -0.03 0.49 0.22 0.54 -1.57 0.00 0.00 175.55 175.20 1a6x n ARG 93 N -0.92 3.15 -4.17 -0.62 1.74 -1.26 -1.48 116.66 113.10 1a6x n ARG 93 Ca -0.05 -0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.87 1a6x n ARG 93 Cb 0.66 -0.93 -0.11 0.00 -1.02 0.00 0.00 32.46 31.06 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a6x s THR 94 N -1.92 0.89 -0.08 0.55 -4.23 -1.26 -1.32 115.64 108.28 1a6x s THR 94 Ca 0.01 -1.63 0.24 0.00 -1.18 0.00 0.00 61.69 59.12 1a6x s THR 94 Cb 0.05 -1.34 0.27 0.00 1.34 0.00 0.00 72.50 72.81 1a6x s THR 94 CO 0.27 -0.58 1.73 1.55 -0.54 0.00 0.00 174.62 177.05 1a6x h PRO 95 N 3.56 0.00 -3.92 3.99 0.13 -1.90 -3.46 132.00 130.40 1a6x h PRO 95 Ca -0.37 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 1a6x h PRO 95 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1a6x h PRO 95 CO 0.53 0.17 -0.12 0.45 -0.23 0.00 0.00 178.00 178.80 1a6x s SER 96 N -6.13 0.68 -0.04 1.44 0.15 -1.26 -5.04 113.70 103.50 1a6x s SER 96 Ca 0.03 -1.38 -0.24 0.00 0.70 0.00 0.00 55.95 55.06 1a6x s SER 96 Cb 0.08 0.68 -0.23 0.00 -1.71 0.00 0.00 66.02 64.85 1a6x s SER 96 CO 0.64 -1.33 1.07 1.55 1.20 0.00 0.00 173.24 176.37 1a6x h PRO 97 N 2.11 0.20 -1.06 5.44 0.13 -1.98 -3.24 132.00 133.60 1a6x h PRO 97 Ca -0.29 -0.19 -0.56 0.00 -0.87 0.00 0.00 66.00 64.09 1a6x h PRO 97 Cb 1.24 0.05 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 1a6x h PRO 97 CO 0.39 0.90 0.72 -3.47 -0.23 0.00 0.00 178.00 176.30 1a6x n ASP 98 N -4.51 6.00 -4.53 1.44 -0.08 -1.26 -4.92 116.55 108.69 1a6x n ASP 98 Ca -0.09 -3.58 -0.25 0.00 -1.51 0.00 0.00 54.79 49.35 1a6x n ASP 98 Cb 0.49 -0.92 -0.09 0.00 2.34 0.00 0.00 41.12 42.93 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a6x s ALA 99 N -3.28 2.87 1.02 -1.67 0.00 -1.23 -5.12 121.76 114.34 1a6x s ALA 99 Ca 0.56 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 1a6x s ALA 99 Cb 0.45 -0.56 0.20 0.00 0.00 0.00 0.00 23.12 23.21 1a6x s ALA 99 CO 0.03 0.38 1.08 0.15 0.00 0.00 0.00 175.76 177.39 1a6x s LYS 100 N -3.12 0.26 -0.04 0.00 1.02 -1.26 -4.80 119.74 111.80 1a6x s LYS 100 Ca 0.27 0.86 -0.20 0.00 0.02 0.00 0.00 55.97 56.91 1a6x s LYS 100 Cb -0.07 -1.69 -0.05 0.00 -0.52 0.00 0.00 37.83 35.50 1a6x s LYS 100 CO 0.15 -2.93 0.58 0.00 -0.92 0.00 0.00 175.35 172.22 1a6x s ALA 101 N -2.74 3.47 0.29 5.17 0.00 -1.26 -4.36 121.76 122.34 1a6x s ALA 101 Ca 0.66 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1a6x s ALA 101 Cb -0.21 -2.74 0.54 0.00 0.00 0.00 0.00 23.12 20.71 1a6x s ALA 101 CO 0.60 0.10 1.88 0.74 0.00 0.00 0.00 175.76 179.08 1a6x h PHE 102 N 6.03 1.08 -2.32 0.00 0.04 -1.55 -3.39 116.94 116.83 1a6x h PHE 102 Ca -0.44 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.13 1a6x h PHE 102 Cb 1.20 -0.35 -0.33 0.00 2.20 0.00 0.00 35.95 38.67 1a6x h PHE 102 CO 0.65 0.52 -0.54 -1.50 -0.60 0.00 0.00 178.31 176.83 1a6x s ILE 103 N -5.92 -0.46 -0.17 -0.55 1.10 -1.26 -4.87 121.20 109.07 1a6x s ILE 103 Ca -0.12 -0.03 -0.14 0.00 -0.51 0.00 0.00 60.65 59.86 1a6x s ILE 103 Cb 0.21 -0.70 -0.05 0.00 0.15 0.00 0.00 42.46 42.07 1a6x s ILE 103 CO 0.80 -0.11 0.28 -0.70 -2.11 0.00 0.00 174.94 173.10 1a6x s GLU 104 N 2.44 4.24 -0.49 3.50 2.12 -1.26 -4.99 118.70 124.26 1a6x s GLU 104 Ca 0.08 0.06 -0.46 0.00 0.36 0.00 0.00 54.97 55.02 1a6x s GLU 104 Cb -0.15 -3.44 -0.19 0.00 0.26 0.00 0.00 34.13 30.61 1a6x s GLU 104 CO -0.13 0.22 1.80 0.28 -0.54 0.00 0.00 175.26 176.88 1a6x n VAL 105 N 3.66 0.01 0.00 3.70 0.31 -1.26 -1.85 118.33 122.89 1a6x n VAL 105 Ca -0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1a6x n VAL 105 Cb 0.52 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1a6x n VAL 105 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 106 N 5.24 1.76 3.38 2.92 0.00 -1.26 -5.11 105.19 112.12 1a6x n GLY 106 Ca 0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1a6x n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 107 N -0.22 1.48 0.45 1.61 0.74 -0.77 -5.02 119.66 117.93 1a6x s GLN 107 Ca 0.00 -1.78 0.06 0.00 0.05 0.00 0.00 55.36 53.69 1a6x s GLN 107 Cb 0.00 -0.73 -0.03 0.00 1.10 0.00 0.00 33.01 33.35 1a6x s GLN 107 CO 0.00 -0.13 0.16 -1.59 -0.55 0.00 0.00 175.29 173.17 1a6x s LYS 108 N -3.87 2.19 -0.09 1.67 -2.85 -1.26 -2.16 119.74 113.36 1a6x s LYS 108 Ca 0.32 -2.02 -0.12 0.00 -1.00 0.00 0.00 55.97 53.15 1a6x s LYS 108 Cb 0.07 -1.87 0.03 0.00 -2.06 0.00 0.00 37.83 34.00 1a6x s LYS 108 CO 0.12 -0.23 0.32 0.14 0.10 0.00 0.00 175.35 175.80 1a6x s VAL 109 N -2.70 0.02 0.06 1.79 -7.23 0.91 -4.97 120.40 108.29 1a6x s VAL 109 Ca 0.32 -0.16 0.09 0.00 -1.81 0.00 0.00 61.98 60.43 1a6x s VAL 109 Cb 0.03 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.44 1a6x s VAL 109 CO 0.18 -0.09 -0.25 0.21 -0.31 0.00 0.00 175.10 174.85 1a6x s ASN 110 N -0.31 2.95 -0.55 4.85 3.84 -1.26 -0.88 114.94 123.59 1a6x s ASN 110 Ca -0.04 -0.60 -0.42 0.00 0.21 0.00 0.00 52.86 52.00 1a6x s ASN 110 Cb -0.03 -0.25 -0.19 0.00 -0.55 0.00 0.00 41.25 40.23 1a6x s ASN 110 CO 0.02 0.21 2.20 0.52 -2.79 0.00 0.00 177.10 177.25 1a6x n VAL 111 N 1.63 0.00 0.00 -5.21 0.31 -1.26 -1.18 118.33 112.63 1a6x n VAL 111 Ca -0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1a6x n VAL 111 Cb 0.53 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 112 N 7.37 1.86 3.05 2.92 0.00 -1.25 -5.05 105.19 114.10 1a6x n GLY 112 Ca 0.56 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 1a6x n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6x s ASP 113 N -2.00 1.62 0.43 1.61 1.01 -0.32 -4.96 116.67 114.05 1a6x s ASP 113 Ca 0.00 -0.26 -0.26 0.00 0.71 0.00 0.00 52.55 52.74 1a6x s ASP 113 Cb 0.00 -0.47 -0.09 0.00 1.01 0.00 0.00 42.92 43.36 1a6x s ASP 113 CO 0.00 0.09 1.37 0.41 0.21 0.00 0.00 175.17 177.26 1a6x n THR 114 N 3.29 2.61 -0.04 -1.27 -1.04 -1.26 -0.29 114.28 116.28 1a6x n THR 114 Ca -0.19 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.28 1a6x n THR 114 Cb 0.53 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 1a6x n THR 114 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1a6x n LEU 115 N 0.06 0.68 0.00 -4.42 7.94 0.12 -4.73 117.00 116.65 1a6x n LEU 115 Ca 0.05 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1a6x n LEU 115 Cb 0.40 0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1a6x n LEU 115 CO 0.60 0.30 0.00 0.00 -1.11 0.00 0.00 177.39 177.18 1a6x s ILE 117 N -2.70 1.74 -0.12 0.00 1.01 -0.55 -0.26 121.20 120.33 1a6x s ILE 117 Ca 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 60.65 58.39 1a6x s ILE 117 Cb 0.00 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.36 1a6x s ILE 117 CO 0.00 -0.51 0.29 -0.69 0.00 0.00 0.00 174.94 174.02 1a6x s VAL 118 N -2.97 -0.03 -0.13 2.92 1.01 0.14 0.00 120.40 121.33 1a6x s VAL 118 Ca 0.25 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 62.12 1a6x s VAL 118 Cb 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1a6x s VAL 118 CO 0.08 0.05 0.69 -0.70 0.00 0.00 0.00 175.10 175.23 1a6x s GLU 119 N 1.22 4.33 -0.05 2.72 2.12 0.57 0.23 118.70 129.85 1a6x s GLU 119 Ca -0.09 0.80 -0.24 0.00 0.36 0.00 0.00 54.97 55.80 1a6x s GLU 119 Cb -0.09 -3.51 0.05 0.00 0.26 0.00 0.00 34.13 30.83 1a6x s GLU 119 CO -0.09 -0.11 0.53 0.00 -0.54 0.00 0.00 175.26 175.05 1a6x s ALA 120 N 1.42 -1.37 -1.64 6.30 0.00 -0.53 -1.18 121.76 124.76 1a6x s ALA 120 Ca 0.34 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 1a6x s ALA 120 Cb -0.17 -0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.03 1a6x s ALA 120 CO 0.14 -0.32 0.70 -1.33 0.00 0.00 0.00 175.76 174.95 1a6x n MET 121 N 1.19 -3.23 -4.00 0.00 2.81 -1.26 0.23 117.12 112.85 1a6x n MET 121 Ca -0.20 0.38 -0.29 0.00 -1.81 0.00 0.00 57.70 55.79 1a6x n MET 121 Cb 0.57 -4.96 -0.01 0.00 -0.71 0.00 0.00 33.22 28.10 1a6x n MET 121 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1a6x n LYS 122 N -4.41 -3.70 -3.63 0.03 2.85 -1.26 -4.94 118.16 103.10 1a6x n LYS 122 Ca -0.01 0.44 -0.13 0.00 -1.05 0.00 0.00 58.31 57.55 1a6x n LYS 122 Cb 0.54 -4.87 -0.07 0.00 -0.65 0.00 0.00 35.03 29.97 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a6x s MET 123 N -6.62 0.81 0.27 -1.58 -1.94 0.14 -5.15 119.30 105.23 1a6x s MET 123 Ca 0.30 0.98 -0.29 0.00 -1.71 0.00 0.00 55.69 54.96 1a6x s MET 123 Cb -0.16 0.39 -0.10 0.00 2.01 0.00 0.00 34.83 36.97 1a6x s MET 123 CO 0.89 -0.10 1.34 -1.64 -0.01 0.00 0.00 175.02 175.50 1a6x s MET 124 N 0.42 4.34 -0.25 2.03 -1.94 -1.26 -1.45 119.30 121.19 1a6x s MET 124 Ca -0.00 2.20 -0.02 0.00 -1.71 0.00 0.00 55.69 56.16 1a6x s MET 124 Cb -0.05 -3.11 0.08 0.00 2.01 0.00 0.00 34.83 33.75 1a6x s MET 124 CO -0.00 -0.27 0.05 -0.80 -0.01 0.00 0.00 175.02 173.99 1a6x s ASN 125 N -0.04 3.51 0.42 3.03 0.01 0.13 -4.92 114.94 117.09 1a6x s ASN 125 Ca 0.54 -1.21 -0.23 0.00 -0.71 0.00 0.00 52.86 51.25 1a6x s ASN 125 Cb -0.40 -0.77 -0.09 0.00 0.41 0.00 0.00 41.25 40.40 1a6x s ASN 125 CO 0.46 -0.35 1.04 -1.58 -1.51 0.00 0.00 177.10 175.16 1a6x s GLN 126 N 1.71 4.07 -0.26 -0.60 0.74 -1.26 0.23 119.66 124.28 1a6x s GLN 126 Ca 0.03 1.44 -0.05 0.00 0.05 0.00 0.00 55.36 56.83 1a6x s GLN 126 Cb -0.17 -2.39 0.01 0.00 1.10 0.00 0.00 33.01 31.56 1a6x s GLN 126 CO -0.16 -0.21 0.01 0.42 -0.55 0.00 0.00 175.29 174.81 1a6x s ILE 127 N -1.79 3.53 -0.19 -2.34 1.01 0.65 -4.90 121.20 117.17 1a6x s ILE 127 Ca 0.61 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 60.35 1a6x s ILE 127 Cb -0.19 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 1a6x s ILE 127 CO 0.24 0.20 0.47 -0.70 0.00 0.00 0.00 174.94 175.15 1a6x s GLU 128 N 1.45 4.20 0.06 2.79 2.12 -1.26 0.15 118.70 128.21 1a6x s GLU 128 Ca 0.03 0.35 -0.36 0.00 0.36 0.00 0.00 54.97 55.34 1a6x s GLU 128 Cb -0.16 -3.54 -0.19 0.00 0.26 0.00 0.00 34.13 30.50 1a6x s GLU 128 CO -0.01 -0.08 0.92 0.00 -0.54 0.00 0.00 175.26 175.56 1a6x n ALA 129 N 4.55 -3.29 -0.52 6.30 0.00 0.60 -4.84 120.51 123.32 1a6x n ALA 129 Ca -0.06 0.55 0.06 0.00 0.00 0.00 0.00 53.44 53.98 1a6x n ALA 129 Cb 0.51 -1.73 0.12 0.00 0.00 0.00 0.00 19.45 18.35 1a6x n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a6x n ASP 130 N 1.68 2.69 -2.89 0.00 4.64 -1.26 -3.84 116.55 117.57 1a6x n ASP 130 Ca 0.19 -2.49 0.02 0.00 -1.38 0.00 0.00 54.79 51.14 1a6x n ASP 130 Cb 0.14 -0.28 0.00 0.00 -1.04 0.00 0.00 41.12 39.94 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1a6x s LYS 131 N -1.86 0.24 0.26 -0.67 2.20 -1.26 -5.05 119.74 113.59 1a6x s LYS 131 Ca 0.22 -0.03 -0.25 0.00 -0.36 0.00 0.00 55.97 55.55 1a6x s LYS 131 Cb 0.17 0.04 -0.16 0.00 -1.51 0.00 0.00 37.83 36.37 1a6x s LYS 131 CO 0.06 -0.36 0.36 -1.13 -0.36 0.00 0.00 175.35 173.92 1a6x n SER 132 N 4.06 -1.71 0.00 1.43 3.41 -1.26 -4.90 113.62 114.65 1a6x n SER 132 Ca 0.07 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1a6x n SER 132 Cb 0.61 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 133 N 2.03 -1.41 3.66 5.00 0.00 -0.06 -4.98 105.19 109.44 1a6x n GLY 133 Ca 0.15 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 1a6x n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 134 N -2.68 2.41 1.00 2.61 2.01 -1.25 -0.06 115.64 119.68 1a6x s THR 134 Ca 0.00 -1.90 -0.14 0.00 0.31 0.00 0.00 61.69 59.96 1a6x s THR 134 Cb 0.00 -2.89 0.07 0.00 0.01 0.00 0.00 72.50 69.68 1a6x s THR 134 CO 0.00 -0.10 0.34 0.55 -0.69 0.00 0.00 174.62 174.72 1a6x n VAL 135 N -1.04 0.00 0.00 3.82 3.14 -0.92 0.19 118.33 123.52 1a6x n VAL 135 Ca -0.03 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1a6x n VAL 135 Cb 0.64 -0.64 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1a6x n VAL 135 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1a6x n LYS 136 N -2.00 0.00 0.00 1.45 0.00 -0.40 -3.72 118.16 113.50 1a6x n LYS 136 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1a6x n LYS 136 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a6x n ALA 137 N -2.40 0.00 -2.93 3.14 0.00 0.34 -4.96 120.51 113.70 1a6x n ALA 137 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1a6x n ALA 137 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1a6x n ALA 137 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6x s ILE 138 N -0.30 4.49 -0.08 0.00 1.01 -1.26 0.18 121.20 125.24 1a6x s ILE 138 Ca 0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 1a6x s ILE 138 Cb 0.00 -3.28 -0.29 0.00 0.01 0.00 0.00 42.46 38.89 1a6x s ILE 138 CO 0.00 0.08 0.78 -0.07 0.00 0.00 0.00 174.94 175.73 1a6x h LEU 139 N 8.33 0.37 -9.66 2.97 3.38 -1.81 -3.45 115.31 115.44 1a6x h LEU 139 Ca -0.32 -0.92 -0.59 0.00 0.09 0.00 0.00 57.88 56.14 1a6x h LEU 139 Cb 1.14 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1a6x h LEU 139 CO 0.61 1.40 -0.10 0.54 0.09 0.00 0.00 178.44 180.98 1a6x s VAL 140 N -2.41 4.88 0.60 1.22 0.11 -0.78 -5.07 120.40 118.94 1a6x s VAL 140 Ca -0.16 1.07 0.02 0.00 -2.93 0.00 0.00 61.98 59.98 1a6x s VAL 140 Cb 0.01 -3.83 0.07 0.00 -1.53 0.00 0.00 36.38 31.11 1a6x s VAL 140 CO 0.79 0.54 0.84 -1.83 -3.33 0.00 0.00 175.10 172.11 1a6x s GLU 141 N -0.95 2.22 -0.71 1.54 -1.05 -1.26 -4.94 118.70 113.56 1a6x s GLU 141 Ca 0.27 -1.05 -0.26 0.00 -0.15 0.00 0.00 54.97 53.78 1a6x s GLU 141 Cb -0.18 -2.47 -0.01 0.00 -0.44 0.00 0.00 34.13 31.03 1a6x s GLU 141 CO 0.16 -0.96 1.71 0.45 0.95 0.00 0.00 175.26 177.57 1a6x s SER 142 N -4.56 5.54 0.00 0.83 0.15 -1.26 -2.46 113.70 111.94 1a6x s SER 142 Ca 0.61 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1a6x s SER 142 Cb -0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1a6x s SER 142 CO 0.40 -2.25 0.00 0.61 1.20 0.00 0.00 173.24 173.20 1a6x n GLY 143 N 5.86 2.58 3.44 9.45 0.00 0.11 -4.85 105.19 121.78 1a6x n GLY 143 Ca 0.20 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1a6x n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a6x n GLN 144 N 0.00 0.41 -1.53 1.61 6.02 -1.03 -4.37 117.38 118.50 1a6x n GLN 144 Ca 0.00 0.17 -0.30 0.00 -0.01 0.00 0.00 57.00 56.86 1a6x n GLN 144 Cb 0.00 -1.68 0.18 0.00 1.02 0.00 0.00 30.24 29.77 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a6x s PRO 145 N -2.20 0.23 0.07 -1.09 0.04 -1.26 -1.02 135.00 129.78 1a6x s PRO 145 Ca 0.67 -0.06 -0.14 0.00 0.04 0.00 0.00 61.00 61.51 1a6x s PRO 145 Cb -0.42 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1a6x s PRO 145 CO 0.56 -2.75 0.31 0.14 0.04 0.00 0.00 177.00 175.31 1a6x s VAL 146 N -3.40 0.09 0.02 -0.36 -7.23 0.14 -4.59 120.40 105.07 1a6x s VAL 146 Ca 0.69 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1a6x s VAL 146 Cb -0.09 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.74 1a6x s VAL 146 CO 0.54 -0.41 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.18 1a6x s GLU 147 N -3.14 0.32 0.35 4.82 2.12 -1.26 -1.48 118.70 120.43 1a6x s GLU 147 Ca -0.01 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 1a6x s GLU 147 Cb 0.01 0.05 -0.11 0.00 0.26 0.00 0.00 34.13 34.34 1a6x s GLU 147 CO -0.07 -0.03 1.53 0.12 -0.54 0.00 0.00 175.26 176.26 1a6x s PHE 148 N -1.36 2.62 0.00 5.30 2.19 -1.26 -1.04 117.98 124.42 1a6x s PHE 148 Ca -0.14 1.04 0.00 0.00 0.33 0.00 0.00 56.93 58.15 1a6x s PHE 148 Cb -0.09 -4.05 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 1a6x s PHE 148 CO -0.01 -3.23 0.00 -3.47 1.83 0.00 0.00 175.22 170.34 1a6x n ASP 149 N 0.98 0.00 -4.88 6.13 -0.08 -1.20 -5.01 116.55 112.49 1a6x n ASP 149 Ca 0.03 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.98 1a6x n ASP 149 Cb 0.38 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.79 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1a6x s GLU 150 N -0.19 3.68 0.59 -0.67 2.02 -0.21 -4.91 118.70 119.00 1a6x s GLU 150 Ca 0.00 0.03 -0.16 0.00 0.02 0.00 0.00 54.97 54.86 1a6x s GLU 150 Cb 0.00 -2.93 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 1a6x s GLU 150 CO 0.00 0.52 1.05 -1.25 0.02 0.00 0.00 175.26 175.60 1a6x s PRO 151 N -2.25 3.39 0.00 0.39 0.04 -1.26 0.27 135.00 135.57 1a6x s PRO 151 Ca 0.36 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1a6x s PRO 151 Cb -0.13 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1a6x s PRO 151 CO 0.21 -0.75 0.00 1.28 0.04 0.00 0.00 177.00 177.78 1a6x n LEU 152 N -1.99 0.00 -4.03 -3.56 4.77 0.33 -4.68 117.00 107.84 1a6x n LEU 152 Ca 0.08 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 1a6x n LEU 152 Cb 0.53 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1a6x n LEU 152 CO 0.47 -0.41 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.02 1a6x s VAL 153 N -0.82 0.59 -0.26 4.08 1.01 -1.24 -1.87 120.40 121.89 1a6x s VAL 153 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 1a6x s VAL 153 Cb 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 1a6x s VAL 153 CO 0.00 -0.08 0.16 -0.69 0.00 0.00 0.00 175.10 174.49 1a6x s VAL 154 N -0.70 5.18 0.31 2.92 1.01 0.49 -1.71 120.40 127.88 1a6x s VAL 154 Ca -0.02 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1a6x s VAL 154 Cb -0.06 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1a6x s VAL 154 CO 0.00 0.30 0.18 -0.63 0.00 0.00 0.00 175.10 174.96 1a6x s ILE 155 N 1.45 3.60 -1.33 2.22 1.09 -0.40 -0.51 121.20 127.33 1a6x s ILE 155 Ca 0.07 -1.55 0.11 0.00 -1.10 0.00 0.00 60.65 58.17 1a6x s ILE 155 Cb -0.15 -3.13 0.08 0.00 -1.06 0.00 0.00 42.46 38.21 1a6x s ILE 155 CO 0.08 -0.25 0.84 -1.84 -0.10 0.00 0.00 174.94 173.66