#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 0.98 -1.47 3.17 0.28 -1.26 -5.08 120.64 117.26 1a6x n GLU 71 Ca 0.00 -3.07 -0.40 0.00 -0.16 0.00 0.00 57.16 53.53 1a6x n GLU 71 Cb 0.00 -1.56 -0.15 0.00 1.43 0.00 0.00 31.44 31.16 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a6x n ALA 72 N 0.31 0.29 -2.46 -1.84 0.00 -1.26 -4.80 120.51 110.75 1a6x n ALA 72 Ca 0.21 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1a6x n ALA 72 Cb 0.67 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 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 8.84 4.42 0.25 0.00 0.04 -1.26 -4.84 135.00 142.45 1a6x s PRO 73 Ca 1.34 1.71 0.00 0.00 0.04 0.00 0.00 61.00 64.09 1a6x s PRO 73 Cb -1.24 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1a6x s PRO 73 CO 0.48 -0.29 0.00 0.00 0.04 0.00 0.00 177.00 177.23 1a6x n ALA 74 N 4.26 3.00 -3.77 8.56 0.00 -1.26 -5.17 120.51 126.13 1a6x n ALA 74 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.56 1a6x n ALA 74 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.00 -2.42 0.17 0.00 0.00 -1.26 -5.14 121.76 111.11 1a6x s ALA 75 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 1a6x s ALA 75 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1a6x s ALA 75 CO 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 175.76 174.66 1a6x n ALA 76 N -0.68 -2.17 -2.54 0.00 0.00 -1.26 -5.04 120.51 108.83 1a6x n ALA 76 Ca -0.03 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.59 1a6x n ALA 76 Cb 0.61 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 1a6x n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a6x s GLU 77 N -0.94 1.24 -0.14 0.00 2.12 -1.26 -5.12 118.70 114.59 1a6x s GLU 77 Ca 0.00 -0.84 -0.03 0.00 0.36 0.00 0.00 54.97 54.46 1a6x s GLU 77 Cb 0.00 -1.30 0.05 0.00 0.26 0.00 0.00 34.13 33.14 1a6x s GLU 77 CO 0.00 0.33 0.05 -1.50 -0.54 0.00 0.00 175.26 173.60 1a6x s ILE 78 N -0.77 0.26 0.10 -3.70 -1.16 -1.26 -5.13 121.20 109.53 1a6x s ILE 78 Ca 0.05 -0.20 0.07 0.00 -0.51 0.00 0.00 60.65 60.07 1a6x s ILE 78 Cb -0.08 -0.70 -0.03 0.00 0.61 0.00 0.00 42.46 42.25 1a6x s ILE 78 CO 0.01 -0.08 -0.19 -0.55 -2.81 0.00 0.00 174.94 171.32 1a6x s SER 79 N 1.99 2.34 0.00 4.50 0.15 -1.26 -5.01 113.70 116.41 1a6x s SER 79 Ca 0.02 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1a6x s SER 79 Cb -0.15 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1a6x s SER 79 CO -0.07 0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1a6x n GLY 80 N 1.06 -0.57 3.52 9.45 0.00 -0.89 -5.02 105.19 112.75 1a6x n GLY 80 Ca -0.19 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 2.40 -0.06 1.61 2.46 0.12 -4.92 115.29 116.90 1a6x s HIS 81 Ca 0.00 -0.35 -0.01 0.00 0.47 0.00 0.00 55.06 55.17 1a6x s HIS 81 Cb 0.00 -1.13 0.03 0.00 -0.13 0.00 0.00 32.58 31.35 1a6x s HIS 81 CO 0.00 0.66 0.02 0.42 -2.47 0.00 0.00 174.74 173.38 1a6x s ILE 82 N -2.49 0.17 -0.32 0.89 -1.09 -1.26 0.09 121.20 117.18 1a6x s ILE 82 Ca 0.31 0.24 -0.23 0.00 -2.23 0.00 0.00 60.65 58.74 1a6x s ILE 82 Cb -0.04 -0.36 0.00 0.00 -1.58 0.00 0.00 42.46 40.49 1a6x s ILE 82 CO 0.16 0.22 0.78 -0.69 -1.23 0.00 0.00 174.94 174.18 1a6x s VAL 83 N 1.97 4.78 -0.23 2.92 1.01 -0.36 -4.97 120.40 125.51 1a6x s VAL 83 Ca 0.04 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 1a6x s VAL 83 Cb -0.12 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1a6x s VAL 83 CO -0.04 -0.30 0.07 -0.13 0.00 0.00 0.00 175.10 174.70 1a6x s ARG 84 N 2.99 3.74 -0.61 2.72 0.52 -1.26 0.18 118.95 127.23 1a6x s ARG 84 Ca 0.32 -0.44 -0.35 0.00 -0.52 0.00 0.00 55.73 54.74 1a6x s ARG 84 Cb -0.14 -3.31 -0.16 0.00 0.52 0.00 0.00 34.95 31.86 1a6x s ARG 84 CO 0.14 -0.08 2.37 0.45 0.02 0.00 0.00 175.30 178.20 1a6x n SER 85 N 4.61 1.22 0.00 0.23 2.88 0.13 -4.72 113.62 117.97 1a6x n SER 85 Ca -0.16 0.28 0.11 0.00 -1.33 0.00 0.00 58.87 57.77 1a6x n SER 85 Cb 0.52 -1.11 0.68 0.00 -0.75 0.00 0.00 64.21 63.55 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 8.23 0.75 -3.64 -1.46 -0.04 -1.26 -3.02 135.00 134.56 1a6x n PRO 86 Ca 0.52 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1a6x n PRO 86 Cb 0.14 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.77 0.31 0.54 0.23 -1.26 -4.98 119.30 112.90 1a6x s MET 87 Ca 0.34 1.12 -0.29 0.00 -1.03 0.00 0.00 55.69 55.83 1a6x s MET 87 Cb 0.16 0.26 -0.10 0.00 -1.53 0.00 0.00 34.83 33.62 1a6x s MET 87 CO 0.26 -0.13 1.26 0.08 -2.03 0.00 0.00 175.02 174.47 1a6x s VAL 88 N 1.05 2.92 0.00 5.16 1.01 -1.26 -4.59 120.40 124.69 1a6x s VAL 88 Ca -0.05 0.91 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1a6x s VAL 88 Cb -0.05 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1a6x s VAL 88 CO -0.10 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1a6x n GLY 89 N 1.01 -0.57 3.39 4.51 0.00 -0.53 -4.75 105.19 108.24 1a6x n GLY 89 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 0.97 -0.00 2.61 2.01 -0.30 -0.23 115.64 120.69 1a6x s THR 90 Ca 0.00 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 60.00 1a6x s THR 90 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.86 1a6x s THR 90 CO 0.00 -0.07 -0.01 0.12 -0.69 0.00 0.00 174.62 173.98 1a6x s PHE 91 N -3.46 0.13 0.19 4.92 2.19 0.08 -0.21 117.98 121.82 1a6x s PHE 91 Ca 0.35 -0.01 0.05 0.00 0.33 0.00 0.00 56.93 57.66 1a6x s PHE 91 Cb 0.08 -0.12 -0.05 0.00 -1.31 0.00 0.00 43.02 41.62 1a6x s PHE 91 CO 0.14 -0.02 -0.09 0.71 1.83 0.00 0.00 175.22 177.78 1a6x s TYR 92 N 0.14 1.50 -0.27 10.12 2.02 0.63 -0.20 117.35 131.29 1a6x s TYR 92 Ca -0.01 -0.73 0.10 0.00 -0.37 0.00 0.00 57.07 56.06 1a6x s TYR 92 Cb -0.03 -0.77 -0.13 0.00 -0.40 0.00 0.00 41.96 40.64 1a6x s TYR 92 CO -0.00 0.16 0.33 0.54 -1.57 0.00 0.00 175.55 175.01 1a6x n ARG 93 N -0.32 2.31 -4.15 -0.62 5.12 -1.26 -1.46 116.66 116.28 1a6x n ARG 93 Ca -0.08 -0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.67 1a6x n ARG 93 Cb 0.61 -1.08 -0.11 0.00 -1.16 0.00 0.00 32.46 30.73 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 -2.25 0.78 0.15 0.55 -4.23 -1.26 -1.36 115.64 108.02 1a6x s THR 94 Ca 0.01 -1.59 0.13 0.00 -1.18 0.00 0.00 61.69 59.05 1a6x s THR 94 Cb 0.07 -1.28 -0.01 0.00 1.34 0.00 0.00 72.50 72.62 1a6x s THR 94 CO 0.41 -0.61 1.55 1.55 -0.54 0.00 0.00 174.62 176.98 1a6x h PRO 95 N 3.61 0.00 -4.14 3.99 0.13 -1.89 -3.47 132.00 130.23 1a6x h PRO 95 Ca -0.36 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.48 1a6x h PRO 95 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1a6x h PRO 95 CO 0.53 0.62 -0.19 0.45 -0.23 0.00 0.00 178.00 179.18 1a6x s SER 96 N -6.65 0.95 0.05 1.44 0.15 -1.26 -5.04 113.70 103.34 1a6x s SER 96 Ca 0.00 -1.50 -0.16 0.00 0.70 0.00 0.00 55.95 54.99 1a6x s SER 96 Cb 0.11 0.67 -0.21 0.00 -1.71 0.00 0.00 66.02 64.87 1a6x s SER 96 CO 0.75 -1.30 1.19 1.55 1.20 0.00 0.00 173.24 176.63 1a6x h PRO 97 N 2.10 0.60 -1.00 5.44 0.13 -1.98 -3.21 132.00 134.08 1a6x h PRO 97 Ca -0.28 -0.58 -0.62 0.00 -0.87 0.00 0.00 66.00 63.65 1a6x h PRO 97 Cb 1.24 0.15 -0.30 0.00 0.13 0.00 0.00 31.00 32.22 1a6x h PRO 97 CO 0.39 1.20 0.80 -0.40 -0.23 0.00 0.00 178.00 179.75 1a6x n ASP 98 N -4.05 6.23 -4.45 1.44 5.75 -1.26 -4.93 116.55 115.28 1a6x n ASP 98 Ca -0.10 -3.72 -0.27 0.00 -0.01 0.00 0.00 54.79 50.70 1a6x n ASP 98 Cb 0.75 -0.93 -0.11 0.00 -1.03 0.00 0.00 41.12 39.80 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6x s ALA 99 N -3.62 2.61 0.99 2.12 0.00 -1.21 -5.13 121.76 117.52 1a6x s ALA 99 Ca 0.62 -1.61 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 1a6x s ALA 99 Cb 0.50 -0.40 0.19 0.00 0.00 0.00 0.00 23.12 23.40 1a6x s ALA 99 CO 0.03 0.44 1.08 0.15 0.00 0.00 0.00 175.76 177.46 1a6x s LYS 100 N -2.71 0.46 -0.02 0.00 1.02 -1.26 -4.79 119.74 112.44 1a6x s LYS 100 Ca 0.22 0.83 -0.22 0.00 0.02 0.00 0.00 55.97 56.82 1a6x s LYS 100 Cb -0.08 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 1a6x s LYS 100 CO 0.11 -2.79 0.63 0.00 -0.92 0.00 0.00 175.35 172.38 1a6x s ALA 101 N -2.79 3.44 0.29 5.17 0.00 -1.26 -4.40 121.76 122.21 1a6x s ALA 101 Ca 0.65 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1a6x s ALA 101 Cb -0.20 -2.81 0.52 0.00 0.00 0.00 0.00 23.12 20.62 1a6x s ALA 101 CO 0.59 0.09 1.89 0.74 0.00 0.00 0.00 175.76 179.07 1a6x h PHE 102 N 5.94 1.09 -2.28 0.00 0.04 -1.56 -3.36 116.94 116.81 1a6x h PHE 102 Ca -0.44 0.03 -0.44 0.00 2.80 0.00 0.00 57.97 59.92 1a6x h PHE 102 Cb 1.20 -0.36 -0.35 0.00 2.20 0.00 0.00 35.95 38.64 1a6x h PHE 102 CO 0.65 0.54 -0.73 -1.50 -0.60 0.00 0.00 178.31 176.67 1a6x s ILE 103 N -5.93 -0.19 -0.11 -0.55 2.07 -1.26 -4.85 121.20 110.38 1a6x s ILE 103 Ca -0.12 -1.03 -0.30 0.00 -1.41 0.00 0.00 60.65 57.80 1a6x s ILE 103 Cb 0.20 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 1a6x s ILE 103 CO 0.80 -0.68 1.04 -1.61 -1.91 0.00 0.00 174.94 172.58 1a6x s GLU 104 N 1.65 4.40 -0.49 3.50 2.02 -1.26 -4.91 118.70 123.61 1a6x s GLU 104 Ca 0.14 1.43 -0.46 0.00 0.02 0.00 0.00 54.97 56.11 1a6x s GLU 104 Cb -0.17 -3.55 -0.19 0.00 0.10 0.00 0.00 34.13 30.31 1a6x s GLU 104 CO -0.14 -0.36 1.80 0.28 0.02 0.00 0.00 175.26 176.87 1a6x n VAL 105 N 4.61 0.01 0.00 2.63 0.31 -1.26 -1.22 118.33 123.41 1a6x n VAL 105 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1a6x n VAL 105 Cb 0.48 -0.53 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 5.29 1.44 3.58 2.92 0.00 -1.26 -5.12 105.19 112.04 1a6x n GLY 106 Ca 0.40 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 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 1.90 0.52 1.61 0.74 -0.36 -5.01 119.66 118.83 1a6x s GLN 107 Ca 0.00 -2.09 0.02 0.00 0.05 0.00 0.00 55.36 53.34 1a6x s GLN 107 Cb 0.00 -1.38 -0.00 0.00 1.10 0.00 0.00 33.01 32.73 1a6x s GLN 107 CO 0.00 -0.14 0.08 -1.59 -0.55 0.00 0.00 175.29 173.09 1a6x s LYS 108 N -3.78 2.21 -0.11 1.67 -2.85 -1.26 -2.35 119.74 113.26 1a6x s LYS 108 Ca 0.32 -2.33 -0.20 0.00 -1.00 0.00 0.00 55.97 52.76 1a6x s LYS 108 Cb 0.09 -1.64 0.05 0.00 -2.06 0.00 0.00 37.83 34.26 1a6x s LYS 108 CO 0.16 -0.42 0.50 0.14 0.10 0.00 0.00 175.35 175.83 1a6x s VAL 109 N -2.86 0.01 0.43 1.79 -7.23 0.40 -4.97 120.40 107.98 1a6x s VAL 109 Ca 0.11 -0.12 0.06 0.00 -1.81 0.00 0.00 61.98 60.21 1a6x s VAL 109 Cb 0.01 -0.76 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 1a6x s VAL 109 CO 0.06 -0.07 0.06 0.21 -0.31 0.00 0.00 175.10 175.05 1a6x s ASN 110 N -0.48 4.06 -0.27 4.85 2.47 -1.26 -0.75 114.94 123.56 1a6x s ASN 110 Ca -0.06 -1.36 -0.28 0.00 0.42 0.00 0.00 52.86 51.58 1a6x s ASN 110 Cb -0.03 -0.21 -0.04 0.00 -1.45 0.00 0.00 41.25 39.51 1a6x s ASN 110 CO 0.04 -0.57 2.14 -0.69 -3.72 0.00 0.00 177.10 174.30 1a6x s VAL 111 N -2.72 3.11 0.00 -5.21 1.01 -1.26 -0.58 120.40 114.75 1a6x s VAL 111 Ca 0.31 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1a6x s VAL 111 Cb 0.07 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1a6x s VAL 111 CO 0.16 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1a6x n GLY 112 N 5.72 1.35 3.79 4.51 0.00 -1.25 -5.05 105.19 114.25 1a6x n GLY 112 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.63 6.71 0.56 1.61 1.11 0.26 -4.83 116.67 120.45 1a6x s ASP 113 Ca 0.00 0.84 -0.21 0.00 0.18 0.00 0.00 52.55 53.36 1a6x s ASP 113 Cb 0.00 -2.25 -0.05 0.00 1.07 0.00 0.00 42.92 41.69 1a6x s ASP 113 CO 0.00 0.20 1.22 0.41 1.18 0.00 0.00 175.17 178.18 1a6x n THR 114 N 2.63 3.80 -0.03 -1.27 -1.04 -1.26 -0.16 114.28 116.95 1a6x n THR 114 Ca -0.12 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.35 1a6x n THR 114 Cb 0.52 -1.46 -0.04 0.00 -1.82 0.00 0.00 70.33 67.53 1a6x n THR 114 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a6x n LEU 115 N -0.89 1.93 0.00 -4.42 4.77 0.54 -4.66 117.00 114.28 1a6x n LEU 115 Ca 0.12 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1a6x n LEU 115 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1a6x n LEU 115 CO 0.52 0.45 0.00 0.00 -1.33 0.00 0.00 177.39 177.03 1a6x s ILE 117 N -2.67 1.59 -0.10 0.00 1.01 -0.54 0.18 121.20 120.67 1a6x s ILE 117 Ca 0.00 -2.16 -0.05 0.00 0.00 0.00 0.00 60.65 58.44 1a6x s ILE 117 Cb 0.00 -2.14 0.05 0.00 0.01 0.00 0.00 42.46 40.38 1a6x s ILE 117 CO 0.00 -0.52 0.24 -0.69 0.00 0.00 0.00 174.94 173.97 1a6x s VAL 118 N -3.06 -0.09 0.01 2.92 1.01 0.13 -0.27 120.40 121.05 1a6x s VAL 118 Ca 0.24 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1a6x s VAL 118 Cb 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1a6x s VAL 118 CO 0.07 0.07 0.79 -0.70 0.00 0.00 0.00 175.10 175.34 1a6x s GLU 119 N 1.43 4.50 -0.04 2.72 2.12 0.70 0.15 118.70 130.29 1a6x s GLU 119 Ca -0.08 1.10 -0.30 0.00 0.36 0.00 0.00 54.97 56.05 1a6x s GLU 119 Cb -0.11 -3.40 0.08 0.00 0.26 0.00 0.00 34.13 30.96 1a6x s GLU 119 CO -0.08 0.17 0.72 0.00 -0.54 0.00 0.00 175.26 175.52 1a6x s ALA 120 N 0.34 -1.77 -1.60 6.30 0.00 -0.13 -1.16 121.76 123.74 1a6x s ALA 120 Ca 0.41 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 1a6x s ALA 120 Cb -0.20 0.04 0.11 0.00 0.00 0.00 0.00 23.12 23.06 1a6x s ALA 120 CO 0.23 -0.43 0.68 -1.33 0.00 0.00 0.00 175.76 174.91 1a6x n MET 121 N 0.67 -3.33 -4.02 0.00 2.81 -1.26 0.23 117.12 112.22 1a6x n MET 121 Ca -0.17 0.39 -0.30 0.00 -1.81 0.00 0.00 57.70 55.81 1a6x n MET 121 Cb 0.58 -4.93 -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 -4.42 -3.78 -3.63 0.03 2.85 -1.26 -4.93 118.16 103.02 1a6x n LYS 122 Ca -0.05 0.44 -0.12 0.00 -1.05 0.00 0.00 58.31 57.53 1a6x n LYS 122 Cb 0.55 -4.94 -0.07 0.00 -0.65 0.00 0.00 35.03 29.92 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 -6.65 0.73 0.39 -1.58 -1.94 0.14 -5.15 119.30 105.22 1a6x s MET 123 Ca 0.37 0.80 -0.26 0.00 -1.71 0.00 0.00 55.69 54.89 1a6x s MET 123 Cb -0.20 0.35 -0.09 0.00 2.01 0.00 0.00 34.83 36.91 1a6x s MET 123 CO 0.89 -0.10 1.24 0.00 -0.01 0.00 0.00 175.02 177.03 1a6x s MET 124 N 0.21 4.10 -0.26 2.03 0.23 -1.26 -0.96 119.30 123.38 1a6x s MET 124 Ca 0.01 2.01 -0.03 0.00 -1.03 0.00 0.00 55.69 56.65 1a6x s MET 124 Cb -0.05 -2.80 0.09 0.00 -1.53 0.00 0.00 34.83 30.55 1a6x s MET 124 CO -0.01 -0.34 0.10 -0.80 -2.03 0.00 0.00 175.02 171.94 1a6x s ASN 125 N -0.87 3.38 0.72 -1.18 0.01 0.12 -4.89 114.94 112.24 1a6x s ASN 125 Ca 0.55 -1.20 -0.13 0.00 -0.71 0.00 0.00 52.86 51.37 1a6x s ASN 125 Cb -0.35 -0.51 0.03 0.00 0.41 0.00 0.00 41.25 40.83 1a6x s ASN 125 CO 0.45 -0.40 1.10 -1.10 -1.51 0.00 0.00 177.10 175.65 1a6x s GLN 126 N 1.94 2.48 -0.17 -0.60 -0.21 -1.26 0.22 119.66 122.05 1a6x s GLN 126 Ca 0.06 1.30 0.00 0.00 0.02 0.00 0.00 55.36 56.75 1a6x s GLN 126 Cb -0.17 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 31.96 1a6x s GLN 126 CO -0.25 -1.49 -0.10 0.42 -2.12 0.00 0.00 175.29 171.75 1a6x s ILE 127 N -2.61 1.44 -0.12 1.08 1.01 0.13 -4.83 121.20 117.30 1a6x s ILE 127 Ca 0.64 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 1a6x s ILE 127 Cb -0.19 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1a6x s ILE 127 CO 0.49 0.28 0.52 -0.70 0.00 0.00 0.00 174.94 175.54 1a6x s GLU 128 N 1.51 4.34 0.07 2.79 2.12 -1.26 -0.34 118.70 127.93 1a6x s GLU 128 Ca 0.02 0.52 -0.36 0.00 0.36 0.00 0.00 54.97 55.51 1a6x s GLU 128 Cb -0.14 -3.45 -0.19 0.00 0.26 0.00 0.00 34.13 30.60 1a6x s GLU 128 CO -0.09 0.10 0.92 0.00 -0.54 0.00 0.00 175.26 175.65 1a6x n ALA 129 N 3.83 -3.28 -0.54 6.30 0.00 0.78 -4.84 120.51 122.76 1a6x n ALA 129 Ca -0.06 0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.98 1a6x n ALA 129 Cb 0.51 -1.73 0.10 0.00 0.00 0.00 0.00 19.45 18.33 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a6x n ASP 130 N 1.68 2.43 -2.79 0.00 5.68 -1.26 -3.82 116.55 118.47 1a6x n ASP 130 Ca 0.19 -2.53 0.01 0.00 -0.50 0.00 0.00 54.79 51.96 1a6x n ASP 130 Cb 0.14 -0.25 0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1a6x s LYS 131 N -1.92 0.25 0.14 0.11 2.20 -1.26 -5.08 119.74 114.18 1a6x s LYS 131 Ca 0.19 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 1a6x s LYS 131 Cb 0.16 0.02 -0.17 0.00 -1.51 0.00 0.00 37.83 36.33 1a6x s LYS 131 CO 0.04 -0.35 0.63 0.43 -0.36 0.00 0.00 175.35 175.74 1a6x n SER 132 N 3.57 -0.90 0.00 1.43 7.64 -1.26 -4.90 113.62 119.20 1a6x n SER 132 Ca 0.07 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1a6x n SER 132 Cb 0.63 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 133 N 1.80 -1.17 3.72 0.23 0.00 0.07 -4.98 105.19 104.86 1a6x n GLY 133 Ca 0.18 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.53 2.41 0.87 2.61 2.01 -1.26 -0.45 115.64 119.30 1a6x s THR 134 Ca 0.00 -1.75 -0.12 0.00 0.31 0.00 0.00 61.69 60.13 1a6x s THR 134 Cb 0.00 -2.97 0.11 0.00 0.01 0.00 0.00 72.50 69.65 1a6x s THR 134 CO 0.00 -0.05 1.10 0.55 -0.69 0.00 0.00 174.62 175.53 1a6x n VAL 135 N -1.18 0.90 0.00 3.82 3.14 -0.99 0.19 118.33 124.21 1a6x n VAL 135 Ca -0.02 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1a6x n VAL 135 Cb 0.64 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 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 -3.56 0.00 0.00 1.45 3.00 -0.64 -3.92 118.16 114.48 1a6x n LYS 136 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1a6x n LYS 136 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.43 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 -2.19 0.00 -2.86 3.14 0.00 -0.18 -4.97 120.51 113.44 1a6x n ALA 137 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1a6x n ALA 137 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.26 4.63 -0.23 0.00 1.01 -1.26 0.20 121.20 125.29 1a6x s ILE 138 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 1a6x s ILE 138 Cb 0.00 -3.10 -0.18 0.00 0.01 0.00 0.00 42.46 39.20 1a6x s ILE 138 CO 0.00 0.44 -0.02 0.18 0.00 0.00 0.00 174.94 175.54 1a6x n LEU 139 N 3.81 2.18 -4.81 2.97 4.77 -0.59 -4.93 117.00 120.39 1a6x n LEU 139 Ca -0.16 0.28 -0.34 0.00 -0.03 0.00 0.00 56.01 55.75 1a6x n LEU 139 Cb 0.52 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1a6x n LEU 139 CO 0.34 0.57 0.66 0.54 -1.33 0.00 0.00 177.39 178.17 1a6x s VAL 140 N -2.47 4.27 0.42 4.08 0.11 -0.50 -5.06 120.40 121.25 1a6x s VAL 140 Ca -0.32 1.56 0.08 0.00 -2.93 0.00 0.00 61.98 60.37 1a6x s VAL 140 Cb 0.10 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1a6x s VAL 140 CO 0.59 -0.16 0.53 -0.70 -3.33 0.00 0.00 175.10 172.02 1a6x s GLU 141 N -2.82 2.77 -1.06 1.54 2.12 -1.26 -4.95 118.70 115.04 1a6x s GLU 141 Ca 0.59 -1.30 -0.22 0.00 0.36 0.00 0.00 54.97 54.39 1a6x s GLU 141 Cb -0.13 -2.68 0.03 0.00 0.26 0.00 0.00 34.13 31.61 1a6x s GLU 141 CO 0.17 -0.25 1.63 0.45 -0.54 0.00 0.00 175.26 176.72 1a6x s SER 142 N -4.30 6.22 0.00 -1.70 0.15 -1.26 -2.17 113.70 110.64 1a6x s SER 142 Ca 0.53 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.67 1a6x s SER 142 Cb -0.08 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1a6x s SER 142 CO 0.32 -1.77 0.00 0.61 1.20 0.00 0.00 173.24 173.60 1a6x n GLY 143 N 6.54 0.82 3.82 9.45 0.00 0.72 -4.86 105.19 121.67 1a6x n GLY 143 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 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 4.10 0.67 1.61 -0.21 -0.92 -4.75 119.66 120.15 1a6x s GLN 144 Ca 0.00 1.14 -0.12 0.00 0.02 0.00 0.00 55.36 56.41 1a6x s GLN 144 Cb 0.00 -2.16 -0.00 0.00 1.00 0.00 0.00 33.01 31.85 1a6x s GLN 144 CO 0.00 -0.15 1.06 -1.25 -2.12 0.00 0.00 175.29 172.83 1a6x s PRO 145 N -3.32 3.05 0.06 2.91 0.04 -1.26 -0.74 135.00 135.74 1a6x s PRO 145 Ca 0.63 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1a6x s PRO 145 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1a6x s PRO 145 CO 0.17 -1.01 -0.04 0.14 0.04 0.00 0.00 177.00 176.29 1a6x s VAL 146 N -2.91 0.36 0.07 -0.36 -7.23 0.68 -4.76 120.40 106.26 1a6x s VAL 146 Ca 0.59 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1a6x s VAL 146 Cb -0.14 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 1a6x s VAL 146 CO 0.51 -0.82 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.73 1a6x s GLU 147 N -3.27 0.80 0.31 4.82 8.01 -1.26 -1.45 118.70 126.65 1a6x s GLU 147 Ca 0.03 -0.98 -0.29 0.00 0.01 0.00 0.00 54.97 53.74 1a6x s GLU 147 Cb 0.03 -0.72 -0.11 0.00 -4.31 0.00 0.00 34.13 29.02 1a6x s GLU 147 CO -0.06 0.15 1.53 0.12 0.01 0.00 0.00 175.26 177.01 1a6x s PHE 148 N -1.51 2.74 0.00 1.61 2.19 -1.26 -1.03 117.98 120.72 1a6x s PHE 148 Ca -0.01 0.95 0.00 0.00 0.33 0.00 0.00 56.93 58.19 1a6x s PHE 148 Cb -0.09 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.61 1a6x s PHE 148 CO 0.02 -3.25 0.00 -3.47 1.83 0.00 0.00 175.22 170.35 1a6x n ASP 149 N 1.64 0.00 -4.88 6.13 2.03 -1.17 -5.01 116.55 115.30 1a6x n ASP 149 Ca 0.06 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.04 1a6x n ASP 149 Cb 0.38 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.73 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1a6x s GLU 150 N -0.22 3.77 0.71 -0.67 2.02 -0.20 -4.90 118.70 119.21 1a6x s GLU 150 Ca 0.00 0.20 -0.11 0.00 0.02 0.00 0.00 54.97 55.08 1a6x s GLU 150 Cb 0.00 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.49 1a6x s GLU 150 CO 0.00 0.39 1.07 -1.25 0.02 0.00 0.00 175.26 175.49 1a6x s PRO 151 N -2.59 2.80 0.00 0.39 0.04 -1.26 0.23 135.00 134.60 1a6x s PRO 151 Ca 0.43 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1a6x s PRO 151 Cb -0.12 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1a6x s PRO 151 CO 0.21 -1.19 0.00 1.28 0.04 0.00 0.00 177.00 177.35 1a6x n LEU 152 N -3.18 0.00 -4.17 -3.56 4.77 0.49 -4.62 117.00 106.73 1a6x n LEU 152 Ca 0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 1a6x n LEU 152 Cb 0.54 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 1a6x n LEU 152 CO 0.56 -0.17 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.25 1a6x s VAL 153 N -0.35 1.46 -0.22 4.08 1.01 -1.23 -1.41 120.40 123.75 1a6x s VAL 153 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1a6x s VAL 153 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1a6x s VAL 153 CO 0.00 0.42 0.32 -0.69 0.00 0.00 0.00 175.10 175.15 1a6x s VAL 154 N -0.24 5.25 0.32 2.92 1.01 0.52 -1.22 120.40 128.96 1a6x s VAL 154 Ca 0.02 0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.61 1a6x s VAL 154 Cb -0.09 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1a6x s VAL 154 CO 0.01 0.27 0.21 -0.63 0.00 0.00 0.00 175.10 174.95 1a6x s ILE 155 N 1.31 3.42 -1.34 2.22 1.09 0.11 -1.01 121.20 127.00 1a6x s ILE 155 Ca 0.15 -1.53 0.11 0.00 -1.10 0.00 0.00 60.65 58.27 1a6x s ILE 155 Cb -0.14 -3.11 0.08 0.00 -1.06 0.00 0.00 42.46 38.24 1a6x s ILE 155 CO 0.07 -0.21 0.84 -1.84 -0.10 0.00 0.00 174.94 173.70