#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x s GLU 71 N 0.00 0.37 -0.24 0.03 2.12 -1.26 -5.05 118.70 114.67 1a6x s GLU 71 Ca 0.00 0.56 -0.02 0.00 0.36 0.00 0.00 54.97 55.86 1a6x s GLU 71 Cb 0.00 0.29 0.01 0.00 0.26 0.00 0.00 34.13 34.69 1a6x s GLU 71 CO 0.00 -0.51 0.04 0.00 -0.54 0.00 0.00 175.26 174.25 1a6x n ALA 72 N 5.39 -3.26 -2.30 6.30 0.00 -1.26 -4.81 120.51 120.57 1a6x n ALA 72 Ca -0.00 0.76 -0.40 0.00 0.00 0.00 0.00 53.44 53.79 1a6x n ALA 72 Cb 0.54 -1.57 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1a6x n ALA 72 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a6x s PRO 73 N -1.34 3.01 0.25 0.00 0.04 -1.26 -4.17 135.00 131.52 1a6x s PRO 73 Ca -0.05 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1a6x s PRO 73 Cb 0.00 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1a6x s PRO 73 CO 0.66 -2.31 0.00 0.00 0.04 0.00 0.00 177.00 175.39 1a6x n ALA 74 N 10.73 0.00 -2.67 8.56 0.00 -1.26 -5.11 120.51 130.76 1a6x n ALA 74 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 1a6x n ALA 74 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.88 3.56 0.37 0.00 0.00 -1.26 -4.93 121.76 117.62 1a6x s ALA 75 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1a6x s ALA 75 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1a6x s ALA 75 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 175.76 175.48 1a6x n ALA 76 N 4.43 -3.29 -2.08 0.00 0.00 -1.26 -5.02 120.51 113.28 1a6x n ALA 76 Ca -0.09 0.53 -0.00 0.00 0.00 0.00 0.00 53.44 53.88 1a6x n ALA 76 Cb 0.51 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.99 -4.17 -3.33 0.00 2.13 -1.26 -4.98 120.64 105.03 1a6x n GLU 77 Ca -0.02 3.13 -0.35 0.00 0.66 0.00 0.00 57.16 60.58 1a6x n GLU 77 Cb 0.59 -3.90 -0.06 0.00 0.27 0.00 0.00 31.44 28.34 1a6x n GLU 77 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1a6x s ILE 78 N -0.48 4.83 -0.31 6.31 1.01 -1.26 -4.81 121.20 126.49 1a6x s ILE 78 Ca -0.00 0.86 0.08 0.00 0.00 0.00 0.00 60.65 61.59 1a6x s ILE 78 Cb 0.00 -3.74 0.52 0.00 0.01 0.00 0.00 42.46 39.25 1a6x s ILE 78 CO 0.00 0.23 1.51 -1.20 0.00 0.00 0.00 174.94 175.48 1a6x n SER 79 N 0.76 2.59 -0.95 3.58 7.64 -1.26 -5.04 113.62 120.94 1a6x n SER 79 Ca -0.05 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.07 1a6x n SER 79 Cb 0.52 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 80 N -1.12 -4.21 2.84 0.23 0.00 -1.26 -4.99 105.19 96.68 1a6x n GLY 80 Ca 0.36 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.37 2.20 -0.31 1.61 5.04 0.13 -4.93 115.29 117.68 1a6x s HIS 81 Ca 0.00 -1.91 -0.20 0.00 -1.54 0.00 0.00 55.06 51.41 1a6x s HIS 81 Cb 0.00 -1.86 -0.01 0.00 0.04 0.00 0.00 32.58 30.75 1a6x s HIS 81 CO 0.00 -0.84 0.63 0.42 -2.34 0.00 0.00 174.74 172.61 1a6x s ILE 82 N 1.45 4.93 -0.10 0.89 1.01 -1.26 -0.88 121.20 127.24 1a6x s ILE 82 Ca 0.05 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 1a6x s ILE 82 Cb -0.18 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1a6x s ILE 82 CO -0.16 -0.15 1.70 -0.69 0.00 0.00 0.00 174.94 175.64 1a6x s VAL 83 N 2.62 3.54 -0.40 2.92 1.01 0.20 -4.88 120.40 125.41 1a6x s VAL 83 Ca 0.25 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 1a6x s VAL 83 Cb -0.15 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.83 1a6x s VAL 83 CO 0.12 -0.11 0.23 -0.13 0.00 0.00 0.00 175.10 175.21 1a6x s ARG 84 N 4.35 2.70 -0.63 2.72 0.52 -1.26 0.18 118.95 127.53 1a6x s ARG 84 Ca 0.75 -1.30 -0.38 0.00 -0.52 0.00 0.00 55.73 54.29 1a6x s ARG 84 Cb -0.32 -3.75 -0.18 0.00 0.52 0.00 0.00 34.95 31.22 1a6x s ARG 84 CO 0.31 -0.84 2.33 0.45 0.02 0.00 0.00 175.30 177.57 1a6x n SER 85 N 4.95 0.86 0.00 0.23 2.88 0.14 -4.71 113.62 117.96 1a6x n SER 85 Ca -0.11 0.44 0.11 0.00 -1.33 0.00 0.00 58.87 57.99 1a6x n SER 85 Cb 0.44 -0.98 0.68 0.00 -0.75 0.00 0.00 64.21 63.59 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6x n PRO 86 N 7.96 0.75 -3.94 -1.46 -0.04 -1.26 -2.92 135.00 134.09 1a6x n PRO 86 Ca 0.56 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.93 1a6x n PRO 86 Cb 0.04 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 31.93 1a6x n PRO 86 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1a6x s MET 87 N -2.00 0.63 -0.07 0.54 -1.94 -1.26 -4.93 119.30 110.27 1a6x s MET 87 Ca 0.34 -0.85 -0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1a6x s MET 87 Cb 0.16 0.25 -0.05 0.00 2.01 0.00 0.00 34.83 37.20 1a6x s MET 87 CO 0.26 -0.16 0.24 0.08 -0.01 0.00 0.00 175.02 175.43 1a6x s VAL 88 N -2.99 5.33 0.00 -6.03 1.01 -1.26 -4.06 120.40 112.41 1a6x s VAL 88 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1a6x s VAL 88 Cb 0.01 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1a6x s VAL 88 CO -0.06 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1a6x n GLY 89 N 1.85 -0.59 3.36 4.51 0.00 -0.50 -4.72 105.19 109.08 1a6x n GLY 89 Ca -0.17 0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.90 -0.01 2.61 2.01 -0.28 -0.25 115.64 120.62 1a6x s THR 90 Ca 0.00 -2.01 0.01 0.00 0.31 0.00 0.00 61.69 60.00 1a6x s THR 90 Cb 0.00 -2.56 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1a6x s THR 90 CO 0.00 -0.13 -0.03 0.12 -0.69 0.00 0.00 174.62 173.90 1a6x s PHE 91 N -3.51 0.32 0.09 4.92 2.19 -0.12 -0.31 117.98 121.56 1a6x s PHE 91 Ca 0.34 -0.05 0.06 0.00 0.33 0.00 0.00 56.93 57.61 1a6x s PHE 91 Cb 0.07 -0.27 -0.03 0.00 -1.31 0.00 0.00 43.02 41.48 1a6x s PHE 91 CO 0.12 -0.05 -0.15 0.71 1.83 0.00 0.00 175.22 177.69 1a6x s TYR 92 N 0.26 1.30 -0.35 10.12 2.02 0.46 -0.50 117.35 130.66 1a6x s TYR 92 Ca -0.02 -0.49 0.22 0.00 -0.37 0.00 0.00 57.07 56.41 1a6x s TYR 92 Cb -0.05 -0.72 -0.19 0.00 -0.40 0.00 0.00 41.96 40.60 1a6x s TYR 92 CO -0.01 0.09 0.74 0.54 -1.57 0.00 0.00 175.55 175.34 1a6x n ARG 93 N 1.06 0.46 -4.15 -0.62 5.12 -1.26 -1.08 116.66 116.19 1a6x n ARG 93 Ca -0.20 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.51 1a6x n ARG 93 Cb 0.55 -1.57 -0.11 0.00 -1.16 0.00 0.00 32.46 30.17 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a6x s THR 94 N -3.34 0.78 0.15 0.55 -4.23 -1.26 -1.36 115.64 106.94 1a6x s THR 94 Ca -0.02 -1.60 0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1a6x s THR 94 Cb 0.14 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.68 1a6x s THR 94 CO 0.86 -0.61 1.55 1.55 -0.54 0.00 0.00 174.62 177.43 1a6x h PRO 95 N 3.60 0.00 -4.52 3.99 0.13 -1.91 -3.47 132.00 129.82 1a6x h PRO 95 Ca -0.36 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.39 1a6x h PRO 95 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 95 CO 0.53 0.63 -0.35 0.45 -0.23 0.00 0.00 178.00 179.03 1a6x s SER 96 N -6.66 1.28 -0.05 1.44 0.15 -1.26 -5.07 113.70 103.53 1a6x s SER 96 Ca 0.00 -1.62 -0.25 0.00 0.70 0.00 0.00 55.95 54.79 1a6x s SER 96 Cb 0.11 0.61 -0.23 0.00 -1.71 0.00 0.00 66.02 64.80 1a6x s SER 96 CO 0.75 -1.17 1.06 1.55 1.20 0.00 0.00 173.24 176.63 1a6x h PRO 97 N 2.13 0.16 -2.02 5.44 0.13 -1.98 -3.30 132.00 132.57 1a6x h PRO 97 Ca -0.27 -0.15 -0.71 0.00 -0.87 0.00 0.00 66.00 64.00 1a6x h PRO 97 Cb 1.24 0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.16 1a6x h PRO 97 CO 0.38 0.87 0.92 -3.47 -0.23 0.00 0.00 178.00 176.47 1a6x n ASP 98 N -4.55 7.29 -4.21 1.44 4.64 -1.26 -4.92 116.55 114.97 1a6x n ASP 98 Ca -0.09 -3.67 -0.14 0.00 -1.38 0.00 0.00 54.79 49.50 1a6x n ASP 98 Cb 0.46 -1.12 -0.10 0.00 -1.04 0.00 0.00 41.12 39.33 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1a6x s ALA 99 N -3.49 1.26 1.11 -1.67 0.00 -1.24 -5.15 121.76 112.58 1a6x s ALA 99 Ca 0.53 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 1a6x s ALA 99 Cb 0.41 0.06 0.25 0.00 0.00 0.00 0.00 23.12 23.84 1a6x s ALA 99 CO -0.36 -0.09 1.07 0.15 0.00 0.00 0.00 175.76 176.52 1a6x s LYS 100 N -3.42 -0.48 -0.09 0.00 -0.14 -1.26 -4.86 119.74 109.49 1a6x s LYS 100 Ca 0.12 0.45 -0.15 0.00 -1.36 0.00 0.00 55.97 55.03 1a6x s LYS 100 Cb 0.01 -1.64 -0.05 0.00 -1.68 0.00 0.00 37.83 34.48 1a6x s LYS 100 CO -0.00 -3.33 0.39 0.00 -0.76 0.00 0.00 175.35 171.64 1a6x s ALA 101 N -2.80 3.59 0.31 5.17 0.00 -1.26 -4.47 121.76 122.29 1a6x s ALA 101 Ca 0.67 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 1a6x s ALA 101 Cb -0.19 -2.47 0.50 0.00 0.00 0.00 0.00 23.12 20.97 1a6x s ALA 101 CO 0.59 0.20 1.95 0.74 0.00 0.00 0.00 175.76 179.24 1a6x h PHE 102 N 6.02 1.02 -2.94 0.00 0.04 -1.52 -3.34 116.94 116.22 1a6x h PHE 102 Ca -0.45 0.03 -0.60 0.00 2.80 0.00 0.00 57.97 59.75 1a6x h PHE 102 Cb 1.19 -0.34 -0.40 0.00 2.20 0.00 0.00 35.95 38.60 1a6x h PHE 102 CO 0.65 0.59 -0.76 0.96 -0.60 0.00 0.00 178.31 179.15 1a6x s ILE 103 N -5.90 1.06 -0.36 -0.55 -4.36 -1.26 -4.70 121.20 105.14 1a6x s ILE 103 Ca -0.11 -2.19 -0.29 0.00 -0.26 0.00 0.00 60.65 57.80 1a6x s ILE 103 Cb 0.19 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 42.15 1a6x s ILE 103 CO 0.79 -0.88 1.26 -0.70 0.24 0.00 0.00 174.94 175.66 1a6x s GLU 104 N 0.71 3.83 -0.50 0.37 2.12 -1.25 -4.90 118.70 119.08 1a6x s GLU 104 Ca 0.16 1.03 -0.46 0.00 0.36 0.00 0.00 54.97 56.07 1a6x s GLU 104 Cb -0.23 -3.89 -0.20 0.00 0.26 0.00 0.00 34.13 30.07 1a6x s GLU 104 CO -0.04 -1.23 1.81 0.28 -0.54 0.00 0.00 175.26 175.54 1a6x n VAL 105 N 6.45 0.00 0.00 3.70 0.31 -1.26 -0.41 118.33 127.13 1a6x n VAL 105 Ca 0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1a6x n VAL 105 Cb 0.47 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 5.33 1.25 3.66 2.92 0.00 -1.26 -5.11 105.19 111.99 1a6x n GLY 106 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.48 2.18 0.17 1.61 -0.44 0.45 -5.01 119.66 118.13 1a6x s GLN 107 Ca 0.00 -1.67 0.08 0.00 -2.50 0.00 0.00 55.36 51.27 1a6x s GLN 107 Cb 0.00 -2.02 -0.04 0.00 -1.64 0.00 0.00 33.01 29.31 1a6x s GLN 107 CO 0.00 0.14 -0.05 0.21 0.50 0.00 0.00 175.29 176.09 1a6x s LYS 108 N -3.75 2.25 -0.06 1.67 2.36 -1.26 -3.11 119.74 117.84 1a6x s LYS 108 Ca 0.35 -1.15 0.02 0.00 -2.55 0.00 0.00 55.97 52.65 1a6x s LYS 108 Cb -0.01 -2.28 0.01 0.00 -1.05 0.00 0.00 37.83 34.50 1a6x s LYS 108 CO 0.20 0.45 -0.11 0.14 1.55 0.00 0.00 175.35 177.59 1a6x s VAL 109 N -1.66 1.03 0.16 4.02 -7.23 -0.55 -5.03 120.40 111.14 1a6x s VAL 109 Ca 0.26 -0.43 0.09 0.00 -1.81 0.00 0.00 61.98 60.09 1a6x s VAL 109 Cb -0.09 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1a6x s VAL 109 CO 0.17 0.33 -0.16 0.21 -0.31 0.00 0.00 175.10 175.34 1a6x s ASN 110 N 0.59 3.95 -0.55 4.85 3.84 -1.26 -0.61 114.94 125.75 1a6x s ASN 110 Ca -0.12 -0.62 -0.42 0.00 0.21 0.00 0.00 52.86 51.91 1a6x s ASN 110 Cb -0.14 -0.56 -0.19 0.00 -0.55 0.00 0.00 41.25 39.80 1a6x s ASN 110 CO 0.03 0.14 2.21 0.52 -2.79 0.00 0.00 177.10 177.20 1a6x n VAL 111 N 0.40 0.00 0.00 -5.21 0.31 -1.26 0.13 118.33 112.70 1a6x n VAL 111 Ca -0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1a6x n VAL 111 Cb 0.54 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 7.36 1.96 3.76 2.92 0.00 -1.25 -5.03 105.19 114.91 1a6x n GLY 112 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.85 7.06 1.23 1.61 1.11 0.34 -4.81 116.67 121.36 1a6x s ASP 113 Ca 0.00 1.26 -0.18 0.00 0.18 0.00 0.00 52.55 53.81 1a6x s ASP 113 Cb 0.00 -2.39 0.26 0.00 1.07 0.00 0.00 42.92 41.86 1a6x s ASP 113 CO 0.00 0.10 0.61 0.41 1.18 0.00 0.00 175.17 177.47 1a6x n THR 114 N 2.61 0.00 0.00 -1.27 -1.04 -1.26 -0.07 114.28 113.25 1a6x n THR 114 Ca -0.06 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1a6x n THR 114 Cb 0.51 -0.81 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 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 -3.82 0.18 0.00 -4.42 7.94 0.96 -4.29 117.00 113.55 1a6x n LEU 115 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1a6x n LEU 115 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1a6x n LEU 115 CO 0.45 -0.25 0.00 0.00 -1.11 0.00 0.00 177.39 176.48 1a6x s ILE 117 N -2.06 0.33 -0.05 0.00 1.01 -0.24 -0.16 121.20 120.04 1a6x s ILE 117 Ca 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 60.65 59.16 1a6x s ILE 117 Cb 0.00 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.44 1a6x s ILE 117 CO 0.00 -0.74 0.08 -0.69 0.00 0.00 0.00 174.94 173.59 1a6x s VAL 118 N -2.79 -0.12 -0.06 2.92 1.01 0.14 -0.40 120.40 121.09 1a6x s VAL 118 Ca -0.01 0.32 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 1a6x s VAL 118 Cb -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1a6x s VAL 118 CO -0.05 0.13 0.85 -0.70 0.00 0.00 0.00 175.10 175.33 1a6x s GLU 119 N 1.73 4.46 0.06 2.72 2.12 0.58 -0.44 118.70 129.92 1a6x s GLU 119 Ca -0.01 1.14 -0.26 0.00 0.36 0.00 0.00 54.97 56.20 1a6x s GLU 119 Cb -0.12 -3.48 0.07 0.00 0.26 0.00 0.00 34.13 30.85 1a6x s GLU 119 CO -0.04 -0.08 0.61 0.00 -0.54 0.00 0.00 175.26 175.22 1a6x s ALA 120 N 1.21 -1.60 -1.63 6.30 0.00 -0.12 -1.13 121.76 124.79 1a6x s ALA 120 Ca 0.44 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 1a6x s ALA 120 Cb -0.19 0.44 0.12 0.00 0.00 0.00 0.00 23.12 23.49 1a6x s ALA 120 CO 0.21 -0.56 0.70 -1.33 0.00 0.00 0.00 175.76 174.78 1a6x n MET 121 N 0.28 -3.23 -4.01 0.00 2.81 -1.26 0.23 117.12 111.93 1a6x n MET 121 Ca -0.18 0.38 -0.29 0.00 -1.81 0.00 0.00 57.70 55.80 1a6x n MET 121 Cb 0.61 -4.95 -0.01 0.00 -0.71 0.00 0.00 33.22 28.15 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 -3.65 -3.59 0.03 2.85 -1.26 -4.94 118.16 103.19 1a6x n LYS 122 Ca -0.02 0.43 -0.14 0.00 -1.05 0.00 0.00 58.31 57.54 1a6x n LYS 122 Cb 0.54 -4.87 -0.06 0.00 -0.65 0.00 0.00 35.03 29.99 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1a6x s MET 123 N -6.64 0.81 0.15 -1.58 1.75 0.13 -5.15 119.30 108.78 1a6x s MET 123 Ca 0.31 0.58 -0.30 0.00 -1.25 0.00 0.00 55.69 55.03 1a6x s MET 123 Cb -0.17 0.39 -0.07 0.00 2.84 0.00 0.00 34.83 37.82 1a6x s MET 123 CO 0.89 -0.18 1.15 -1.64 -0.65 0.00 0.00 175.02 174.59 1a6x s MET 124 N -0.34 4.53 -0.28 4.11 -1.94 -1.26 -0.94 119.30 123.18 1a6x s MET 124 Ca -0.03 1.77 -0.00 0.00 -1.71 0.00 0.00 55.69 55.71 1a6x s MET 124 Cb -0.03 -3.29 0.09 0.00 2.01 0.00 0.00 34.83 33.61 1a6x s MET 124 CO 0.03 -0.04 0.06 -0.80 -0.01 0.00 0.00 175.02 174.25 1a6x s ASN 125 N 0.23 3.94 0.69 3.03 0.01 0.42 -4.94 114.94 118.33 1a6x s ASN 125 Ca 0.52 -1.51 -0.14 0.00 -0.71 0.00 0.00 52.86 51.02 1a6x s ASN 125 Cb -0.30 -0.98 0.02 0.00 0.41 0.00 0.00 41.25 40.40 1a6x s ASN 125 CO 0.34 -0.37 1.12 -1.10 -1.51 0.00 0.00 177.10 175.59 1a6x s GLN 126 N 1.52 2.57 -0.21 -0.60 -0.21 -1.26 0.23 119.66 121.70 1a6x s GLN 126 Ca 0.06 1.42 0.02 0.00 0.02 0.00 0.00 55.36 56.87 1a6x s GLN 126 Cb -0.18 -1.92 0.04 0.00 1.00 0.00 0.00 33.01 31.95 1a6x s GLN 126 CO -0.17 -1.43 -0.15 0.42 -2.12 0.00 0.00 175.29 171.83 1a6x s ILE 127 N -2.37 1.98 0.00 1.08 -1.09 0.78 -4.82 121.20 116.75 1a6x s ILE 127 Ca 0.67 -1.15 -0.14 0.00 -2.23 0.00 0.00 60.65 57.80 1a6x s ILE 127 Cb -0.21 -1.94 -0.06 0.00 -1.58 0.00 0.00 42.46 38.67 1a6x s ILE 127 CO 0.44 0.28 0.40 -0.70 -1.23 0.00 0.00 174.94 174.13 1a6x s GLU 128 N 1.27 3.88 0.19 2.79 2.12 -1.26 -0.03 118.70 127.65 1a6x s GLU 128 Ca -0.01 0.36 -0.33 0.00 0.36 0.00 0.00 54.97 55.36 1a6x s GLU 128 Cb -0.16 -3.19 -0.14 0.00 0.26 0.00 0.00 34.13 30.89 1a6x s GLU 128 CO -0.09 0.68 1.39 0.00 -0.54 0.00 0.00 175.26 176.69 1a6x n ALA 129 N 1.72 0.51 -0.49 6.30 0.00 0.90 -4.83 120.51 124.61 1a6x n ALA 129 Ca -0.14 0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.80 1a6x n ALA 129 Cb 0.52 -2.21 0.09 0.00 0.00 0.00 0.00 19.45 17.85 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a6x n ASP 130 N 2.46 2.42 -2.95 0.00 9.92 -1.26 -3.83 116.55 123.31 1a6x n ASP 130 Ca 0.14 -2.48 0.04 0.00 -0.53 0.00 0.00 54.79 51.97 1a6x n ASP 130 Cb 0.28 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1a6x s LYS 131 N -1.83 0.09 -0.00 -1.24 2.36 -1.26 -5.05 119.74 112.82 1a6x s LYS 131 Ca 0.18 0.02 -0.38 0.00 -2.55 0.00 0.00 55.97 53.24 1a6x s LYS 131 Cb 0.15 0.02 -0.19 0.00 -1.05 0.00 0.00 37.83 36.76 1a6x s LYS 131 CO 0.04 -0.15 1.03 -1.13 1.55 0.00 0.00 175.35 176.69 1a6x n SER 132 N 4.38 -0.00 -1.40 1.43 3.41 -1.26 -4.89 113.62 115.29 1a6x n SER 132 Ca 0.08 1.11 -0.02 0.00 -0.26 0.00 0.00 58.87 59.78 1a6x n SER 132 Cb 0.61 -0.88 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.46 1.83 3.27 5.00 0.00 0.22 -4.96 105.19 112.00 1a6x n GLY 133 Ca 0.19 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.79 1.57 0.26 2.61 2.01 -1.26 -1.48 115.64 116.56 1a6x s THR 134 Ca 0.04 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.12 1a6x s THR 134 Cb -0.01 -1.54 -0.14 0.00 0.01 0.00 0.00 72.50 70.82 1a6x s THR 134 CO 0.03 -0.21 1.13 0.55 -0.69 0.00 0.00 174.62 175.43 1a6x n VAL 135 N 0.84 1.58 0.00 3.82 3.14 -1.18 0.19 118.33 126.72 1a6x n VAL 135 Ca -0.18 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 1a6x n VAL 135 Cb 0.55 -1.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 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 1.15 0.00 0.00 1.45 3.00 0.23 -4.49 118.16 119.50 1a6x n LYS 136 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1a6x n LYS 136 Cb 0.30 -0.80 0.00 0.00 0.00 0.00 0.00 35.03 34.53 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 -2.34 0.00 -2.76 3.14 0.00 0.15 -4.95 120.51 113.75 1a6x n ALA 137 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1a6x n ALA 137 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.27 5.39 -0.22 0.00 1.01 -1.26 0.17 121.20 126.01 1a6x s ILE 138 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.90 1a6x s ILE 138 Cb 0.00 -3.50 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 1a6x s ILE 138 CO 0.00 0.49 -0.25 0.18 0.00 0.00 0.00 174.94 175.36 1a6x n LEU 139 N 2.96 2.12 -4.76 2.97 4.77 -0.69 -4.95 117.00 119.42 1a6x n LEU 139 Ca -0.16 0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.64 1a6x n LEU 139 Cb 0.53 -0.69 0.10 0.00 -2.33 0.00 0.00 43.42 41.03 1a6x n LEU 139 CO 0.36 0.62 0.69 0.54 -1.33 0.00 0.00 177.39 178.27 1a6x s VAL 140 N -2.41 3.08 0.41 4.08 0.11 -0.94 -5.07 120.40 119.65 1a6x s VAL 140 Ca -0.30 0.35 0.07 0.00 -2.93 0.00 0.00 61.98 59.17 1a6x s VAL 140 Cb 0.10 -2.93 -0.06 0.00 -1.53 0.00 0.00 36.38 31.96 1a6x s VAL 140 CO 0.43 -0.46 0.13 -1.61 -3.33 0.00 0.00 175.10 170.26 1a6x s GLU 141 N -5.00 2.16 -1.05 1.54 8.01 -1.26 -5.00 118.70 118.10 1a6x s GLU 141 Ca 0.62 -1.90 -0.20 0.00 0.01 0.00 0.00 54.97 53.49 1a6x s GLU 141 Cb -0.16 -1.90 0.08 0.00 -4.31 0.00 0.00 34.13 27.84 1a6x s GLU 141 CO 0.56 -0.09 1.41 0.45 0.01 0.00 0.00 175.26 177.60 1a6x s SER 142 N -3.85 6.63 0.00 -0.19 0.15 -1.26 -2.84 113.70 112.33 1a6x s SER 142 Ca 0.39 -1.87 0.00 0.00 0.70 0.00 0.00 55.95 55.17 1a6x s SER 142 Cb 0.05 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1a6x s SER 142 CO 0.21 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.98 1a6x n GLY 143 N 6.10 0.93 3.82 9.45 0.00 0.35 -4.87 105.19 120.96 1a6x n GLY 143 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 1a6x n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a6x s GLN 144 N 0.00 4.23 0.63 1.61 -0.21 -1.13 -4.77 119.66 120.02 1a6x s GLN 144 Ca 0.00 1.11 -0.14 0.00 0.02 0.00 0.00 55.36 56.35 1a6x s GLN 144 Cb 0.00 -2.21 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 1a6x s GLN 144 CO 0.00 -0.01 1.05 -1.25 -2.12 0.00 0.00 175.29 172.96 1a6x s PRO 145 N -3.14 3.21 0.10 2.91 0.04 -1.26 -0.94 135.00 135.92 1a6x s PRO 145 Ca 0.61 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1a6x s PRO 145 Cb -0.09 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1a6x s PRO 145 CO 0.14 -0.89 -0.00 0.14 0.04 0.00 0.00 177.00 176.43 1a6x s VAL 146 N -2.73 0.30 0.06 -0.36 -7.23 0.65 -4.78 120.40 106.31 1a6x s VAL 146 Ca 0.61 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1a6x s VAL 146 Cb -0.15 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1a6x s VAL 146 CO 0.44 -0.75 -0.05 -1.83 -0.31 0.00 0.00 175.10 172.60 1a6x s GLU 147 N -3.95 0.60 0.35 4.82 -1.05 -1.26 -1.41 118.70 116.79 1a6x s GLU 147 Ca 0.15 -1.03 -0.28 0.00 -0.15 0.00 0.00 54.97 53.66 1a6x s GLU 147 Cb 0.07 -0.04 -0.12 0.00 -0.44 0.00 0.00 34.13 33.60 1a6x s GLU 147 CO -0.04 -0.04 1.39 0.34 0.95 0.00 0.00 175.26 177.86 1a6x n PHE 148 N 0.66 2.59 -0.70 4.83 -0.00 -1.26 -0.76 117.46 122.83 1a6x n PHE 148 Ca -0.17 0.49 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1a6x n PHE 148 Cb 0.58 -2.47 0.00 0.00 -0.00 0.00 0.00 39.48 37.59 1a6x n PHE 148 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1a6x n ASP 149 N 0.77 0.00 -4.80 -2.13 2.03 -1.15 -5.00 116.55 106.27 1a6x n ASP 149 Ca 0.04 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.97 1a6x n ASP 149 Cb 0.37 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1a6x s GLU 150 N -0.06 4.06 0.63 -0.67 -6.30 0.06 -4.91 118.70 111.52 1a6x s GLU 150 Ca 0.00 0.43 -0.14 0.00 -2.50 0.00 0.00 54.97 52.77 1a6x s GLU 150 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 34.13 30.82 1a6x s GLU 150 CO 0.00 0.53 1.05 -1.25 0.02 0.00 0.00 175.26 175.62 1a6x s PRO 151 N -0.58 3.20 0.00 4.30 0.04 -1.26 0.25 135.00 140.95 1a6x s PRO 151 Ca 0.24 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1a6x s PRO 151 Cb -0.16 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1a6x s PRO 151 CO 0.13 -0.89 0.00 1.28 0.04 0.00 0.00 177.00 177.55 1a6x n LEU 152 N -2.47 0.00 -4.37 -3.56 4.77 0.49 -4.64 117.00 107.21 1a6x n LEU 152 Ca 0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.74 1a6x n LEU 152 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1a6x n LEU 152 CO 0.51 0.00 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.37 1a6x s VAL 153 N 0.00 2.53 -0.23 4.08 1.01 -1.25 -1.70 120.40 124.84 1a6x s VAL 153 Ca 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 1a6x s VAL 153 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1a6x s VAL 153 CO 0.00 0.58 0.44 -0.69 0.00 0.00 0.00 175.10 175.42 1a6x s VAL 154 N -0.46 5.15 0.33 2.92 1.01 0.44 -0.63 120.40 129.15 1a6x s VAL 154 Ca 0.05 0.75 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1a6x s VAL 154 Cb -0.12 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1a6x s VAL 154 CO 0.01 0.18 0.03 -0.63 0.00 0.00 0.00 175.10 174.69 1a6x s ILE 155 N 1.75 2.82 0.00 2.22 -1.09 -0.06 0.77 121.20 127.61 1a6x s ILE 155 Ca 0.19 -1.93 0.00 0.00 -2.23 0.00 0.00 60.65 56.68 1a6x s ILE 155 Cb -0.15 -2.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1a6x s ILE 155 CO 0.09 -0.23 0.00 1.21 -1.23 0.00 0.00 174.94 174.78