#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1i s GLU 72 N 0.00 3.38 0.18 3.23 2.02 -1.26 -5.06 118.70 121.19 3m1i s GLU 72 Ca 0.00 -0.28 -0.33 0.00 0.02 0.00 0.00 54.97 54.38 3m1i s GLU 72 Cb 0.00 -3.09 -0.14 0.00 0.10 0.00 0.00 34.13 31.00 3m1i s GLU 72 CO 0.00 0.71 1.47 1.63 0.02 0.00 0.00 175.26 179.09 3m1i n LYS 73 N 1.38 1.96 -4.51 1.61 5.02 -1.26 -4.98 118.16 117.37 3m1i n LYS 73 Ca -0.15 0.70 -0.31 0.00 -2.02 0.00 0.00 58.31 56.53 3m1i n LYS 73 Cb 0.53 -2.41 -0.16 0.00 -0.02 0.00 0.00 35.03 32.97 3m1i n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m1i s VAL 74 N 0.47 1.88 -0.86 -0.18 1.01 -1.26 -5.02 120.40 116.45 3m1i s VAL 74 Ca 0.75 -0.86 0.26 0.00 0.00 0.00 0.00 61.98 62.13 3m1i s VAL 74 Cb -0.71 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.10 3m1i s VAL 74 CO 0.44 0.51 1.55 -0.67 0.00 0.00 0.00 175.10 176.93 3m1i n ASP 75 N 4.21 0.49 -4.75 3.32 2.03 -1.26 -5.01 116.55 115.59 3m1i n ASP 75 Ca -0.20 0.14 -0.42 0.00 0.52 0.00 0.00 54.79 54.83 3m1i n ASP 75 Cb 0.51 -0.08 -0.01 0.00 -0.72 0.00 0.00 41.12 40.82 3m1i n ASP 75 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3m1i n VAL 76 N -1.79 1.64 -3.94 5.18 0.31 -1.26 -4.92 118.33 113.56 3m1i n VAL 76 Ca 0.05 -0.41 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 3m1i n VAL 76 Cb 0.38 -1.86 -0.01 0.00 -0.91 0.00 0.00 33.84 31.44 3m1i n VAL 76 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3m1i n LYS 77 N 1.07 1.26 0.21 5.55 3.00 -1.26 -5.05 118.16 122.93 3m1i n LYS 77 Ca 0.05 -1.57 0.13 0.00 -0.00 0.00 0.00 58.31 56.91 3m1i n LYS 77 Cb 0.37 0.28 0.26 0.00 0.00 0.00 0.00 35.03 35.94 3m1i n LYS 77 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3m1i h THR 78 N 0.79 0.00 -3.37 3.15 1.35 -2.05 -3.47 112.91 109.31 3m1i h THR 78 Ca -0.17 -0.87 -0.39 0.00 -0.55 0.00 0.00 66.41 64.43 3m1i h THR 78 Cb 0.57 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 3m1i h THR 78 CO 0.27 0.00 -0.52 0.23 -0.25 0.00 0.00 175.52 175.25 3m1i n MET 79 N -2.97 -2.23 0.00 4.72 2.81 -1.26 -4.86 117.12 113.33 3m1i n MET 79 Ca 0.04 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.86 3m1i n MET 79 Cb 0.49 -5.62 0.00 0.00 -0.71 0.00 0.00 33.22 27.38 3m1i n MET 79 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3m1i n GLU 80 N -3.14 1.00 0.24 0.03 1.02 -1.26 -4.76 120.64 113.77 3m1i n GLU 80 Ca -0.21 -0.94 0.12 0.00 -0.02 0.00 0.00 57.16 56.11 3m1i n GLU 80 Cb 0.67 -0.93 0.55 0.00 -0.02 0.00 0.00 31.44 31.71 3m1i n GLU 80 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3m1i h GLU 81 N 0.00 0.00 -0.74 3.49 9.09 -2.00 -2.71 114.58 121.72 3m1i h GLU 81 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 3m1i h GLU 81 Cb 0.34 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.37 3m1i h GLU 81 CO 0.00 0.17 0.16 -0.25 0.05 0.00 0.00 179.01 179.14 3m1i n ASP 82 N -3.40 4.66 -4.48 3.06 8.00 -1.26 -4.94 116.55 118.20 3m1i n ASP 82 Ca -0.00 -2.96 -0.29 0.00 0.71 0.00 0.00 54.79 52.25 3m1i n ASP 82 Cb 0.37 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 3m1i n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3m1i s GLU 83 N -2.59 1.75 -0.10 -1.24 2.02 -1.02 -1.40 118.70 116.12 3m1i s GLU 83 Ca 0.47 -1.22 -0.05 0.00 0.02 0.00 0.00 54.97 54.20 3m1i s GLU 83 Cb 0.37 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 3m1i s GLU 83 CO 0.12 0.47 0.08 -1.21 0.02 0.00 0.00 175.26 174.75 3m1i s GLU 84 N -2.21 3.24 -0.46 1.61 2.02 -0.39 -4.90 118.70 117.61 3m1i s GLU 84 Ca 0.18 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.67 3m1i s GLU 84 Cb -0.10 -3.01 0.03 0.00 0.10 0.00 0.00 34.13 31.14 3m1i s GLU 84 CO 0.10 0.74 0.84 0.08 0.02 0.00 0.00 175.26 177.04 3m1i s VAL 85 N -0.99 4.57 -0.02 2.63 1.01 -1.26 -1.25 120.40 125.10 3m1i s VAL 85 Ca 0.15 0.54 0.11 0.00 0.00 0.00 0.00 61.98 62.78 3m1i s VAL 85 Cb -0.12 -4.37 -0.10 0.00 0.00 0.00 0.00 36.38 31.79 3m1i s VAL 85 CO 0.04 -0.78 1.26 -0.07 0.00 0.00 0.00 175.10 175.55 3m1i h LEU 86 N 10.33 0.00 -7.00 3.92 3.38 -1.53 -3.48 115.31 120.92 3m1i h LEU 86 Ca -0.24 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.86 3m1i h LEU 86 Cb 1.08 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.53 3m1i h LEU 86 CO 0.99 0.78 0.69 -0.47 0.09 0.00 0.00 178.44 180.52 3m1i s TYR 87 N -2.81 -0.24 -0.04 1.13 5.04 -1.25 -4.99 117.35 114.18 3m1i s TYR 87 Ca 0.01 0.59 -0.03 0.00 -2.44 0.00 0.00 57.07 55.20 3m1i s TYR 87 Cb 0.09 0.43 0.02 0.00 0.35 0.00 0.00 41.96 42.84 3m1i s TYR 87 CO 0.79 -0.12 0.11 0.21 -1.34 0.00 0.00 175.55 175.21 3m1i s LYS 88 N 0.10 0.11 -0.11 4.97 2.20 -1.26 -1.00 119.74 124.75 3m1i s LYS 88 Ca 0.06 0.20 -0.23 0.00 -0.36 0.00 0.00 55.97 55.63 3m1i s LYS 88 Cb -0.05 0.00 0.05 0.00 -1.51 0.00 0.00 37.83 36.33 3m1i s LYS 88 CO -0.11 -0.05 0.56 0.54 -0.36 0.00 0.00 175.35 175.93 3m1i s VAL 89 N 0.32 0.01 0.11 4.02 0.11 -0.19 -4.98 120.40 119.79 3m1i s VAL 89 Ca -0.02 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3m1i s VAL 89 Cb -0.03 -0.84 -0.07 0.00 -1.53 0.00 0.00 36.38 33.91 3m1i s VAL 89 CO -0.01 -0.06 1.22 -0.60 -3.33 0.00 0.00 175.10 172.32 3m1i s ARG 90 N -0.60 4.44 0.17 1.54 6.06 -1.26 -0.03 118.95 129.27 3m1i s ARG 90 Ca -0.07 1.83 -0.14 0.00 -2.50 0.00 0.00 55.73 54.85 3m1i s ARG 90 Cb -0.03 -3.30 0.02 0.00 0.06 0.00 0.00 34.95 31.70 3m1i s ARG 90 CO 0.05 -0.22 0.41 0.00 -2.50 0.00 0.00 175.30 173.04 3m1i s ALA 91 N 0.72 -0.64 -0.13 6.12 0.00 0.18 -4.49 121.76 123.51 3m1i s ALA 91 Ca 0.57 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.17 3m1i s ALA 91 Cb -0.31 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.62 3m1i s ALA 91 CO 0.31 -0.71 -0.21 0.21 0.00 0.00 0.00 175.76 175.36 3m1i s LYS 92 N -3.88 2.88 -0.12 0.00 2.20 -0.07 -1.80 119.74 118.93 3m1i s LYS 92 Ca 0.10 -0.80 -0.06 0.00 -0.36 0.00 0.00 55.97 54.85 3m1i s LYS 92 Cb 0.01 -2.33 -0.04 0.00 -1.51 0.00 0.00 37.83 33.97 3m1i s LYS 92 CO -0.04 -0.01 0.09 -1.17 -0.36 0.00 0.00 175.35 173.85 3m1i s LEU 93 N 0.81 4.05 0.10 5.43 2.96 0.10 -0.87 118.68 131.27 3m1i s LEU 93 Ca -0.08 0.30 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 3m1i s LEU 93 Cb -0.16 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3m1i s LEU 93 CO -0.01 0.35 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.83 3m1i s PHE 94 N -0.69 1.57 -0.01 5.38 0.40 0.10 0.04 117.98 124.78 3m1i s PHE 94 Ca 0.12 -0.45 0.07 0.00 -0.60 0.00 0.00 56.93 56.08 3m1i s PHE 94 Cb -0.12 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.53 3m1i s PHE 94 CO 0.03 0.16 -0.23 -0.98 0.70 0.00 0.00 175.22 174.90 3m1i s ARG 95 N -1.99 2.13 -0.08 0.44 1.70 -0.07 -0.54 118.95 120.54 3m1i s ARG 95 Ca 0.05 -0.92 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 3m1i s ARG 95 Cb -0.09 -2.12 -0.02 0.00 -0.57 0.00 0.00 34.95 32.15 3m1i s ARG 95 CO 0.04 0.56 1.04 0.12 -1.08 0.00 0.00 175.30 175.98 3m1i s PHE 96 N -0.71 3.48 -0.35 5.89 5.36 -0.41 -1.07 117.98 130.17 3m1i s PHE 96 Ca 0.11 1.54 -0.13 0.00 -0.96 0.00 0.00 56.93 57.49 3m1i s PHE 96 Cb -0.10 -3.22 -0.01 0.00 -0.34 0.00 0.00 43.02 39.34 3m1i s PHE 96 CO 0.01 -0.40 0.24 0.34 -1.46 0.00 0.00 175.22 173.95 3m1i s ASP 97 N 1.14 6.03 0.02 6.13 3.68 0.14 -4.74 116.67 129.06 3m1i s ASP 97 Ca 0.50 -0.49 -0.03 0.00 2.13 0.00 0.00 52.55 54.66 3m1i s ASP 97 Cb -0.20 -2.13 -0.28 0.00 -1.45 0.00 0.00 42.92 38.86 3m1i s ASP 97 CO 0.20 -0.26 0.91 0.00 0.13 0.00 0.00 175.17 176.15 3m1i h ALA 98 N 8.50 0.24 -0.93 3.66 0.00 -1.96 -2.63 119.26 126.14 3m1i h ALA 98 Ca -0.31 -1.07 0.01 0.00 0.00 0.00 0.00 54.91 53.55 3m1i h ALA 98 Cb 1.15 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 3m1i h ALA 98 CO 0.64 1.11 0.61 0.38 0.00 0.00 0.00 179.25 182.00 3m1i h ASP 99 N 0.07 1.06 -2.76 0.00 2.03 -1.96 -3.38 116.42 111.47 3m1i h ASP 99 Ca -0.22 -0.02 -0.44 0.00 -0.73 0.00 0.00 57.03 55.61 3m1i h ASP 99 Cb 2.01 -0.26 0.05 0.00 -0.83 0.00 0.00 39.33 40.30 3m1i h ASP 99 CO 0.17 0.76 0.01 0.00 -1.03 0.00 0.00 179.24 179.15 3m1i s ALA 100 N -6.12 3.75 -1.09 4.15 0.00 -1.25 -5.00 121.76 116.20 3m1i s ALA 100 Ca -0.13 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 3m1i s ALA 100 Cb 0.17 -2.18 0.24 0.00 0.00 0.00 0.00 23.12 21.36 3m1i s ALA 100 CO 0.81 -0.84 2.07 1.63 0.00 0.00 0.00 175.76 179.43 3m1i n LYS 101 N -2.44 4.88 -3.80 0.00 5.02 -1.26 -4.70 118.16 115.87 3m1i n LYS 101 Ca 0.08 -4.10 -0.11 0.00 -2.02 0.00 0.00 58.31 52.15 3m1i n LYS 101 Cb 0.60 -2.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.03 3m1i n LYS 101 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3m1i s GLU 102 N -3.16 0.73 -0.01 1.97 -1.05 -0.99 -5.02 118.70 111.16 3m1i s GLU 102 Ca 0.46 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.47 3m1i s GLU 102 Cb 0.21 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 34.18 3m1i s GLU 102 CO -0.14 -0.22 0.98 -1.58 0.95 0.00 0.00 175.26 175.26 3m1i s TRP 103 N -2.32 3.64 -0.10 4.83 0.52 -1.26 0.23 118.94 124.48 3m1i s TRP 103 Ca -0.07 1.68 0.03 0.00 0.02 0.00 0.00 56.10 57.77 3m1i s TRP 103 Cb -0.02 -3.13 -0.01 0.00 -1.15 0.00 0.00 33.47 29.16 3m1i s TRP 103 CO -0.02 -0.04 -0.20 0.15 0.02 0.00 0.00 176.95 176.85 3m1i s LYS 104 N 1.14 3.02 0.34 4.98 1.02 -0.23 -4.95 119.74 125.05 3m1i s LYS 104 Ca 0.52 -0.81 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 3m1i s LYS 104 Cb -0.21 -2.38 -0.11 0.00 -0.52 0.00 0.00 37.83 34.62 3m1i s LYS 104 CO 0.27 0.26 1.45 -1.21 -0.92 0.00 0.00 175.35 175.20 3m1i s GLU 105 N 0.16 4.19 -0.09 1.68 2.02 -1.26 -0.90 118.70 124.51 3m1i s GLU 105 Ca -0.11 2.45 0.10 0.00 0.02 0.00 0.00 54.97 57.43 3m1i s GLU 105 Cb -0.16 -3.02 -0.14 0.00 0.10 0.00 0.00 34.13 30.91 3m1i s GLU 105 CO 0.06 -0.44 0.08 -2.13 0.02 0.00 0.00 175.26 172.85 3m1i n ARG 106 N 0.99 1.89 0.00 1.61 0.63 0.11 -4.82 116.66 117.07 3m1i n ARG 106 Ca 0.02 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3m1i n ARG 106 Cb 0.40 -1.28 0.00 0.00 0.45 0.00 0.00 32.46 32.03 3m1i n ARG 106 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m1i n GLY 107 N 2.24 1.30 3.18 5.14 0.00 -1.13 -4.86 105.19 111.06 3m1i n GLY 107 Ca -0.15 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 3m1i n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m1i s THR 108 N -2.00 1.74 -3.47 2.61 2.01 -1.26 0.02 115.64 115.29 3m1i s THR 108 Ca 0.00 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.13 3m1i s THR 108 Cb 0.00 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 71.01 3m1i s THR 108 CO 0.00 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 3m1i n GLY 109 N 3.28 -0.73 3.67 4.40 0.00 -0.75 -1.79 105.19 113.28 3m1i n GLY 109 Ca -0.19 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 3m1i n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1i s ASP 110 N -4.00 7.17 -0.19 1.61 1.01 -1.24 -0.65 116.67 120.38 3m1i s ASP 110 Ca 0.00 1.44 -0.19 0.00 0.71 0.00 0.00 52.55 54.51 3m1i s ASP 110 Cb 0.00 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 3m1i s ASP 110 CO 0.00 -0.54 0.55 0.00 0.21 0.00 0.00 175.17 175.39 3m1i s LYS 112 N 1.56 1.79 -0.28 0.00 1.02 -0.49 -1.03 119.74 122.33 3m1i s LYS 112 Ca 0.26 -1.01 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 3m1i s LYS 112 Cb -0.16 -1.88 -0.05 0.00 -0.52 0.00 0.00 37.83 35.22 3m1i s LYS 112 CO 0.10 0.50 0.20 -0.06 -0.92 0.00 0.00 175.35 175.17 3m1i s PHE 113 N -0.73 3.22 -0.17 3.18 0.40 -0.17 -0.88 117.98 122.83 3m1i s PHE 113 Ca 0.10 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 3m1i s PHE 113 Cb -0.10 -2.39 -0.00 0.00 0.51 0.00 0.00 43.02 41.04 3m1i s PHE 113 CO 0.01 -0.16 -0.13 -0.51 0.70 0.00 0.00 175.22 175.13 3m1i s LEU 114 N 1.77 2.57 -0.32 -0.37 1.43 0.05 -1.17 118.68 122.65 3m1i s LEU 114 Ca 0.07 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3m1i s LEU 114 Cb -0.16 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3m1i s LEU 114 CO 0.11 0.07 0.20 -0.75 0.23 0.00 0.00 176.35 176.21 3m1i s LYS 115 N 0.90 3.55 0.12 1.70 2.20 -0.38 -0.79 119.74 127.04 3m1i s LYS 115 Ca -0.03 -0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 3m1i s LYS 115 Cb -0.15 -3.70 -0.10 0.00 -1.51 0.00 0.00 37.83 32.37 3m1i s LYS 115 CO -0.01 -0.37 1.85 1.21 -0.36 0.00 0.00 175.35 177.67 3m1i s ASN 116 N 1.70 6.41 0.48 1.43 3.84 -0.36 -1.26 114.94 127.18 3m1i s ASN 116 Ca 0.06 2.77 0.27 0.00 0.21 0.00 0.00 52.86 56.17 3m1i s ASN 116 Cb -0.17 -2.56 1.11 0.00 -0.55 0.00 0.00 41.25 39.08 3m1i s ASN 116 CO 0.09 -1.02 1.90 0.11 -2.79 0.00 0.00 177.10 175.40 3m1i h LYS 117 N 8.77 0.00 0.09 0.43 1.57 -1.59 -0.19 116.57 125.64 3m1i h LYS 117 Ca -0.46 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.02 3m1i h LYS 117 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3m1i h LYS 117 CO 0.95 0.16 -1.56 0.87 -0.57 0.00 0.00 179.45 179.30 3m1i h LYS 118 N 0.00 0.18 0.00 3.15 1.57 -1.90 -3.41 116.57 116.16 3m1i h LYS 118 Ca -0.00 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3m1i h LYS 118 Cb 0.63 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3m1i h LYS 118 CO 0.02 1.15 -1.21 0.25 -0.57 0.00 0.00 179.45 179.09 3m1i n THR 119 N -3.92 0.01 -1.47 -0.16 -2.24 -1.23 -4.97 114.28 100.31 3m1i n THR 119 Ca -0.29 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.20 3m1i n THR 119 Cb 0.89 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 3m1i n THR 119 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3m1i n ASN 120 N -1.70 -5.03 -4.77 3.42 4.13 -0.09 -4.99 115.26 106.24 3m1i n ASN 120 Ca 0.02 0.41 -0.38 0.00 1.68 0.00 0.00 54.58 56.31 3m1i n ASN 120 Cb 0.39 -4.28 -0.06 0.00 -1.54 0.00 0.00 39.78 34.29 3m1i n ASN 120 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3m1i s LYS 121 N -3.37 4.59 -0.14 3.52 -0.14 -1.26 -4.61 119.74 118.32 3m1i s LYS 121 Ca 0.00 1.47 -0.02 0.00 -1.36 0.00 0.00 55.97 56.06 3m1i s LYS 121 Cb 0.00 -2.93 -0.02 0.00 -1.68 0.00 0.00 37.83 33.20 3m1i s LYS 121 CO 0.00 0.26 -0.09 0.08 -0.76 0.00 0.00 175.35 174.84 3m1i s VAL 122 N -1.45 3.43 0.31 3.17 1.01 -1.26 -1.22 120.40 124.38 3m1i s VAL 122 Ca 0.48 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 62.04 3m1i s VAL 122 Cb -0.23 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3m1i s VAL 122 CO 0.29 0.51 -0.10 0.00 0.00 0.00 0.00 175.10 175.80 3m1i s ARG 123 N 0.37 1.90 -0.12 2.72 1.70 0.03 -2.00 118.95 123.55 3m1i s ARG 123 Ca -0.08 -1.74 -0.13 0.00 -0.47 0.00 0.00 55.73 53.31 3m1i s ARG 123 Cb -0.15 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.32 3m1i s ARG 123 CO 0.04 0.25 0.28 0.42 -1.08 0.00 0.00 175.30 175.21 3m1i s ILE 124 N -2.50 5.29 -0.08 4.99 1.01 0.49 -0.77 121.20 129.62 3m1i s ILE 124 Ca 0.32 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 3m1i s ILE 124 Cb -0.02 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.87 3m1i s ILE 124 CO 0.17 0.48 -0.02 -0.22 0.00 0.00 0.00 174.94 175.35 3m1i s LEU 125 N -0.15 0.76 -0.03 2.97 2.96 -0.06 -2.31 118.68 122.82 3m1i s LEU 125 Ca 0.17 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3m1i s LEU 125 Cb -0.13 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 3m1i s LEU 125 CO 0.06 -0.17 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.39 3m1i s MET 126 N 1.87 1.87 0.06 1.98 -2.45 0.44 -1.39 119.30 121.69 3m1i s MET 126 Ca 0.05 -0.72 0.08 0.00 -1.25 0.00 0.00 55.69 53.85 3m1i s MET 126 Cb -0.12 -1.69 -0.03 0.00 1.25 0.00 0.00 34.83 34.24 3m1i s MET 126 CO -0.06 0.36 -0.22 1.03 1.05 0.00 0.00 175.02 177.17 3m1i s ARG 127 N -0.23 1.42 0.31 4.11 0.52 -1.18 -0.53 118.95 123.38 3m1i s ARG 127 Ca 0.01 -1.04 -0.28 0.00 -0.52 0.00 0.00 55.73 53.90 3m1i s ARG 127 Cb -0.10 -1.61 -0.09 0.00 0.52 0.00 0.00 34.95 33.66 3m1i s ARG 127 CO 0.01 0.40 1.11 1.03 0.02 0.00 0.00 175.30 177.88 3m1i s ARG 128 N -1.38 4.52 0.49 3.54 0.52 0.60 -3.72 118.95 123.52 3m1i s ARG 128 Ca 0.09 1.80 -0.22 0.00 -0.52 0.00 0.00 55.73 56.87 3m1i s ARG 128 Cb -0.09 -3.06 -0.08 0.00 0.52 0.00 0.00 34.95 32.23 3m1i s ARG 128 CO 0.03 0.11 1.02 -0.25 0.02 0.00 0.00 175.30 176.23 3m1i n ASP 129 N 0.93 1.24 0.00 0.23 8.00 -0.74 -0.79 116.55 125.41 3m1i n ASP 129 Ca 0.00 0.95 0.00 0.00 0.71 0.00 0.00 54.79 56.46 3m1i n ASP 129 Cb 0.45 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3m1i n ASP 129 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m1i n LYS 130 N -0.30 0.00 0.14 -1.24 4.76 -1.26 -4.17 118.16 116.09 3m1i n LYS 130 Ca 0.10 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 3m1i n LYS 130 Cb 0.42 0.00 0.15 0.00 -1.84 0.00 0.00 35.03 33.76 3m1i n LYS 130 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3m1i h THR 131 N 0.00 0.00 -1.60 -0.18 1.35 -2.00 -3.47 112.91 107.00 3m1i h THR 131 Ca 0.00 -0.85 -0.40 0.00 -0.55 0.00 0.00 66.41 64.62 3m1i h THR 131 Cb 0.00 1.62 -0.12 0.00 -1.73 0.00 0.00 68.15 67.92 3m1i h THR 131 CO 0.00 0.00 -0.40 0.18 -0.25 0.00 0.00 175.52 175.05 3m1i n LEU 132 N -2.69 -1.52 -4.80 3.87 4.77 0.03 -4.97 117.00 111.68 3m1i n LEU 132 Ca 0.03 0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 56.04 3m1i n LEU 132 Cb 0.51 -2.74 -0.03 0.00 -2.33 0.00 0.00 43.42 38.83 3m1i n LEU 132 CO 0.36 -0.81 0.71 -0.54 -1.33 0.00 0.00 177.39 175.77 3m1i s LYS 133 N -4.01 3.74 -0.03 3.23 1.02 -1.25 -4.54 119.74 117.89 3m1i s LYS 133 Ca 0.00 1.28 -0.25 0.00 0.02 0.00 0.00 55.97 57.02 3m1i s LYS 133 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 3m1i s LYS 133 CO 0.00 -0.47 0.78 0.42 -0.92 0.00 0.00 175.35 175.16 3m1i s ILE 134 N -2.14 4.95 -0.26 2.17 1.01 -1.26 -0.29 121.20 125.37 3m1i s ILE 134 Ca 0.65 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.99 3m1i s ILE 134 Cb -0.15 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 3m1i s ILE 134 CO 0.24 0.25 0.24 0.00 0.00 0.00 0.00 174.94 175.66 3m1i s ALA 136 N -1.52 -1.15 -0.37 0.00 0.00 -1.15 -4.86 121.76 112.71 3m1i s ALA 136 Ca 0.02 1.52 0.05 0.00 0.00 0.00 0.00 51.96 53.55 3m1i s ALA 136 Cb 0.04 -0.91 0.17 0.00 0.00 0.00 0.00 23.12 22.42 3m1i s ALA 136 CO 0.23 -0.26 0.49 1.21 0.00 0.00 0.00 175.76 177.43 3m1i s ASN 137 N 1.02 -0.12 0.03 0.00 2.47 -1.24 -0.42 114.94 116.67 3m1i s ASN 137 Ca -0.06 -1.04 -0.20 0.00 0.42 0.00 0.00 52.86 51.98 3m1i s ASN 137 Cb -0.06 1.25 0.04 0.00 -1.45 0.00 0.00 41.25 41.03 3m1i s ASN 137 CO -0.09 -0.24 0.46 -1.38 -3.72 0.00 0.00 177.10 172.13 3m1i s HIS 138 N 1.80 -0.34 0.31 0.43 -3.43 -0.98 -1.68 115.29 111.41 3m1i s HIS 138 Ca 0.15 0.40 -0.29 0.00 -0.80 0.00 0.00 55.06 54.52 3m1i s HIS 138 Cb -0.10 0.26 -0.10 0.00 -1.43 0.00 0.00 32.58 31.21 3m1i s HIS 138 CO -0.09 -0.57 1.23 0.42 -2.00 0.00 0.00 174.74 173.72 3m1i s ILE 139 N -2.19 2.99 -1.11 -5.38 -1.09 -1.26 -0.38 121.20 112.78 3m1i s ILE 139 Ca -0.07 1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 59.14 3m1i s ILE 139 Cb -0.01 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 3m1i s ILE 139 CO -0.00 0.24 1.67 -0.63 -1.23 0.00 0.00 174.94 174.99 3m1i s ILE 140 N -1.15 3.86 0.26 2.92 1.01 -0.85 -4.83 121.20 122.43 3m1i s ILE 140 Ca 0.47 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 3m1i s ILE 140 Cb -0.37 -4.88 -0.09 0.00 0.01 0.00 0.00 42.46 37.13 3m1i s ILE 140 CO 0.49 -1.70 1.20 0.00 0.00 0.00 0.00 174.94 174.92 3m1i s ALA 141 N 6.26 3.45 0.53 9.38 0.00 -1.26 -4.54 121.76 135.58 3m1i s ALA 141 Ca 0.55 1.02 0.27 0.00 0.00 0.00 0.00 51.96 53.80 3m1i s ALA 141 Cb 0.00 -3.40 1.42 0.00 0.00 0.00 0.00 23.12 21.14 3m1i s ALA 141 CO -0.00 -0.37 1.96 -1.35 0.00 0.00 0.00 175.76 176.00 3m1i h PRO 142 N 4.27 0.01 0.00 0.00 0.11 -1.93 -1.81 132.00 132.65 3m1i h PRO 142 Ca -0.46 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3m1i h PRO 142 Cb 1.22 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3m1i h PRO 142 CO 0.70 0.01 -0.17 0.93 -0.21 0.00 0.00 178.00 179.26 3m1i h GLU 143 N 0.01 0.00 -7.04 1.05 3.07 -1.95 -3.46 114.58 106.27 3m1i h GLU 143 Ca 0.31 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.66 3m1i h GLU 143 Cb 1.24 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 29.22 3m1i h GLU 143 CO -0.01 0.17 0.47 0.71 -1.40 0.00 0.00 179.01 178.95 3m1i s TYR 144 N -3.92 2.74 -0.12 4.33 4.12 -0.68 -5.03 117.35 118.78 3m1i s TYR 144 Ca -0.01 1.53 0.01 0.00 0.02 0.00 0.00 57.07 58.62 3m1i s TYR 144 Cb 0.12 -3.38 0.02 0.00 -1.52 0.00 0.00 41.96 37.19 3m1i s TYR 144 CO 0.60 -1.66 -0.16 0.99 0.02 0.00 0.00 175.55 175.35 3m1i s THR 145 N -1.61 1.57 -0.17 -0.71 2.01 -1.26 -5.02 115.64 110.46 3m1i s THR 145 Ca 0.68 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.72 3m1i s THR 145 Cb -0.28 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 3m1i s THR 145 CO 0.33 0.46 1.33 -0.76 -0.69 0.00 0.00 174.62 175.28 3m1i s LEU 146 N 1.12 4.16 0.03 4.42 1.43 -1.26 -4.46 118.68 124.12 3m1i s LEU 146 Ca -0.03 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 54.86 3m1i s LEU 146 Cb -0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3m1i s LEU 146 CO -0.04 -0.83 -0.21 -0.54 0.23 0.00 0.00 176.35 174.96 3m1i s LYS 147 N 3.67 2.03 0.62 1.70 1.02 0.16 -4.90 119.74 124.03 3m1i s LYS 147 Ca 0.58 -0.99 -0.19 0.00 0.02 0.00 0.00 55.97 55.39 3m1i s LYS 147 Cb -0.23 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.94 3m1i s LYS 147 CO 0.18 0.54 1.26 -1.25 -0.92 0.00 0.00 175.35 175.16 3m1i s PRO 148 N -1.22 2.77 -0.00 -1.68 0.04 -1.26 0.87 135.00 134.51 3m1i s PRO 148 Ca 0.13 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.10 3m1i s PRO 148 Cb -0.10 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3m1i s PRO 148 CO 0.03 -1.40 0.22 1.21 0.04 0.00 0.00 177.00 177.10 3m1i s ASN 149 N -1.45 6.42 0.28 6.66 3.84 -1.26 -4.73 114.94 124.70 3m1i s ASN 149 Ca 0.80 0.44 0.23 0.00 0.21 0.00 0.00 52.86 54.54 3m1i s ASN 149 Cb -0.35 -2.04 1.04 0.00 -0.55 0.00 0.00 41.25 39.35 3m1i s ASN 149 CO 0.37 0.26 1.71 1.33 -2.79 0.00 0.00 177.10 177.98 3m1i n VAL 150 N 1.03 0.87 1.16 -5.21 0.24 -1.26 -2.31 118.33 112.85 3m1i n VAL 150 Ca -0.11 0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.66 3m1i n VAL 150 Cb 0.53 -1.30 0.28 0.00 -1.47 0.00 0.00 33.84 31.88 3m1i n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m1i n GLY 151 N -0.29 -0.65 3.14 7.63 0.00 -1.26 -4.97 105.19 108.79 3m1i n GLY 151 Ca 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 3m1i n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m1i s SER 152 N -2.61 -0.22 -0.08 1.61 0.15 -0.98 -5.02 113.70 106.56 3m1i s SER 152 Ca 0.20 0.37 0.19 0.00 0.70 0.00 0.00 55.95 57.41 3m1i s SER 152 Cb 0.19 0.45 0.66 0.00 -1.71 0.00 0.00 66.02 65.61 3m1i s SER 152 CO 0.57 -0.16 1.57 -0.90 1.20 0.00 0.00 173.24 175.52 3m1i n ASP 153 N 2.57 4.38 -2.21 5.45 5.75 -1.26 -4.47 116.55 126.76 3m1i n ASP 153 Ca -0.15 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 3m1i n ASP 153 Cb 0.58 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 40.18 3m1i n ASP 153 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3m1i n ARG 154 N 1.15 0.97 -3.90 0.11 1.85 -1.26 -4.43 116.66 111.15 3m1i n ARG 154 Ca 0.24 -2.40 -0.10 0.00 -1.00 0.00 0.00 57.85 54.59 3m1i n ARG 154 Cb 0.79 -0.56 -0.09 0.00 -1.05 0.00 0.00 32.46 31.55 3m1i n ARG 154 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3m1i s SER 155 N -2.51 0.11 0.11 2.89 0.01 -1.26 -0.94 113.70 112.10 3m1i s SER 155 Ca 0.23 -0.43 0.09 0.00 1.31 0.00 0.00 55.95 57.15 3m1i s SER 155 Cb 0.33 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 3m1i s SER 155 CO -0.09 -0.50 -0.22 0.26 0.41 0.00 0.00 173.24 173.10 3m1i s TRP 156 N -2.37 1.91 -0.00 2.43 0.52 -0.39 -4.39 118.94 116.64 3m1i s TRP 156 Ca -0.07 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.72 3m1i s TRP 156 Cb -0.02 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 3m1i s TRP 156 CO -0.03 0.23 -0.22 0.14 0.02 0.00 0.00 176.95 177.09 3m1i s VAL 157 N -1.13 2.43 0.13 4.03 -7.23 0.25 -0.64 120.40 118.24 3m1i s VAL 157 Ca 0.08 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.98 3m1i s VAL 157 Cb -0.10 -1.93 0.04 0.00 0.56 0.00 0.00 36.38 34.95 3m1i s VAL 157 CO 0.05 0.49 0.43 -0.72 -0.31 0.00 0.00 175.10 175.03 3m1i s TYR 158 N -0.74 -0.25 -0.10 2.82 -0.85 -0.78 0.40 117.35 117.85 3m1i s TYR 158 Ca 0.12 -0.05 -0.17 0.00 -0.52 0.00 0.00 57.07 56.45 3m1i s TYR 158 Cb -0.10 0.30 -0.05 0.00 0.38 0.00 0.00 41.96 42.49 3m1i s TYR 158 CO 0.01 -0.72 0.42 0.00 -1.52 0.00 0.00 175.55 173.75 3m1i s ALA 159 N -3.76 3.54 -0.07 9.51 0.00 -1.26 -1.10 121.76 128.63 3m1i s ALA 159 Ca 0.02 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3m1i s ALA 159 Cb 0.01 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 3m1i s ALA 159 CO -0.12 0.12 -0.15 0.00 0.00 0.00 0.00 175.76 175.61 3m1i n THR 161 N 2.59 0.00 -2.90 0.00 -2.24 -1.26 -0.53 114.28 109.94 3m1i n THR 161 Ca -0.17 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 3m1i n THR 161 Cb 0.52 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 3m1i n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m1i n ALA 162 N -1.44 -0.82 -2.78 6.98 0.00 -1.22 -3.69 120.51 117.54 3m1i n ALA 162 Ca 0.02 -1.50 -0.35 0.00 0.00 0.00 0.00 53.44 51.62 3m1i n ALA 162 Cb 0.27 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 3m1i n ALA 162 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3m1i s ASP 163 N 0.63 5.23 -0.18 0.00 2.15 0.40 -4.54 116.67 120.35 3m1i s ASP 163 Ca 0.31 0.07 0.16 0.00 0.43 0.00 0.00 52.55 53.52 3m1i s ASP 163 Cb 0.01 -1.65 0.44 0.00 -0.30 0.00 0.00 42.92 41.42 3m1i s ASP 163 CO -0.09 0.29 1.33 2.30 -0.17 0.00 0.00 175.17 178.83 3m1i n ILE 164 N 2.74 2.20 -0.24 4.11 -5.35 -0.67 -1.85 119.36 120.29 3m1i n ILE 164 Ca -0.18 -2.24 0.03 0.00 -0.27 0.00 0.00 62.75 60.09 3m1i n ILE 164 Cb 0.53 -0.26 0.27 0.00 -1.74 0.00 0.00 39.64 38.44 3m1i n ILE 164 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3m1i h ALA 165 N 1.04 1.54 -0.34 -1.28 0.00 -1.89 -3.05 119.26 115.27 3m1i h ALA 165 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m1i h ALA 165 Cb 1.31 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3m1i h ALA 165 CO 0.17 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.17 3m1i n GLU 166 N -4.46 2.93 0.00 0.00 1.02 -1.26 -4.80 120.64 114.07 3m1i n GLU 166 Ca 0.11 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 3m1i n GLU 166 Cb 0.14 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3m1i n GLU 166 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m1i n GLY 167 N 0.28 0.63 3.78 0.62 0.00 -1.16 -5.08 105.19 104.27 3m1i n GLY 167 Ca 0.15 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3m1i n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m1i s GLU 168 N 0.00 3.07 0.14 1.61 2.02 -1.26 -4.64 118.70 119.64 3m1i s GLU 168 Ca 0.00 1.41 -0.33 0.00 0.02 0.00 0.00 54.97 56.06 3m1i s GLU 168 Cb 0.00 -1.99 -0.13 0.00 0.10 0.00 0.00 34.13 32.11 3m1i s GLU 168 CO 0.00 -1.04 1.66 0.00 0.02 0.00 0.00 175.26 175.90 3m1i n ALA 169 N -2.01 1.65 -2.39 5.21 0.00 -1.26 -4.76 120.51 116.96 3m1i n ALA 169 Ca 0.10 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.85 3m1i n ALA 169 Cb 0.52 -2.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.44 3m1i n ALA 169 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3m1i s GLU 170 N 1.46 0.66 0.15 0.00 -1.05 -0.77 -4.84 118.70 114.31 3m1i s GLU 170 Ca 0.80 -1.11 -0.19 0.00 -0.15 0.00 0.00 54.97 54.32 3m1i s GLU 170 Cb -0.63 -0.10 -0.07 0.00 -0.44 0.00 0.00 34.13 32.88 3m1i s GLU 170 CO 0.38 -0.03 0.63 0.00 0.95 0.00 0.00 175.26 177.20 3m1i s ALA 171 N -2.97 3.52 0.03 -0.84 0.00 -1.24 -0.45 121.76 119.80 3m1i s ALA 171 Ca 0.03 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.98 3m1i s ALA 171 Cb 0.01 -2.69 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 3m1i s ALA 171 CO -0.04 0.38 0.13 -0.06 0.00 0.00 0.00 175.76 176.17 3m1i s PHE 172 N -1.34 0.12 -0.35 0.00 0.08 0.31 -4.98 117.98 111.83 3m1i s PHE 172 Ca 0.36 -0.35 -0.17 0.00 0.12 0.00 0.00 56.93 56.89 3m1i s PHE 172 Cb -0.18 -0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.17 3m1i s PHE 172 CO 0.20 -0.36 0.44 0.99 -0.10 0.00 0.00 175.22 176.40 3m1i s THR 173 N -2.25 5.09 0.12 0.64 2.01 -1.26 0.73 115.64 120.72 3m1i s THR 173 Ca -0.08 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.14 3m1i s THR 173 Cb -0.03 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3m1i s THR 173 CO -0.03 -0.17 0.20 -0.36 -0.69 0.00 0.00 174.62 173.57 3m1i s PHE 174 N 2.22 3.36 0.03 4.92 0.08 -0.25 -1.29 117.98 127.04 3m1i s PHE 174 Ca 0.15 0.10 0.07 0.00 0.12 0.00 0.00 56.93 57.38 3m1i s PHE 174 Cb -0.16 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.63 3m1i s PHE 174 CO 0.13 0.53 -0.21 0.00 -0.10 0.00 0.00 175.22 175.57 3m1i s ALA 175 N -1.64 1.74 -0.07 5.36 0.00 0.30 -1.86 121.76 125.59 3m1i s ALA 175 Ca 0.33 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.31 3m1i s ALA 175 Cb -0.11 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.65 3m1i s ALA 175 CO 0.26 0.40 -0.16 -1.50 0.00 0.00 0.00 175.76 174.76 3m1i s ILE 176 N -0.70 1.40 -0.01 0.00 2.07 0.19 0.03 121.20 124.17 3m1i s ILE 176 Ca 0.08 -0.65 0.07 0.00 -1.41 0.00 0.00 60.65 58.74 3m1i s ILE 176 Cb -0.09 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.25 3m1i s ILE 176 CO 0.01 0.41 -0.23 -0.60 -1.91 0.00 0.00 174.94 172.62 3m1i s ARG 177 N 0.47 1.86 0.43 3.50 3.52 -0.05 -1.26 118.95 127.42 3m1i s ARG 177 Ca -0.13 -0.87 0.06 0.00 -0.13 0.00 0.00 55.73 54.66 3m1i s ARG 177 Cb -0.15 -1.83 -0.05 0.00 -1.56 0.00 0.00 34.95 31.36 3m1i s ARG 177 CO 0.05 0.50 0.14 -0.06 -0.81 0.00 0.00 175.30 175.11 3m1i s PHE 178 N -0.59 2.42 0.46 5.12 0.08 -0.12 -0.89 117.98 124.47 3m1i s PHE 178 Ca 0.09 -0.67 0.13 0.00 0.12 0.00 0.00 56.93 56.60 3m1i s PHE 178 Cb -0.09 -1.87 1.08 0.00 -0.57 0.00 0.00 43.02 41.57 3m1i s PHE 178 CO -0.00 0.20 2.07 0.78 -0.10 0.00 0.00 175.22 178.17 3m1i h GLY 179 N 1.45 0.32 -2.75 4.36 0.00 -1.86 -3.46 103.07 101.12 3m1i h GLY 179 Ca -0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3m1i h GLY 179 CO 0.72 0.10 -0.07 -1.35 0.00 0.00 0.00 176.54 175.94 3m1i s SER 180 N -6.71 -0.19 0.39 0.19 1.04 -1.26 -5.01 113.70 102.16 3m1i s SER 180 Ca -0.07 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 55.91 3m1i s SER 180 Cb 0.18 0.52 0.80 0.00 0.10 0.00 0.00 66.02 67.63 3m1i s SER 180 CO 0.71 -0.97 2.01 0.50 0.98 0.00 0.00 173.24 176.47 3m1i h LYS 181 N 2.31 0.51 -0.49 4.02 3.64 -1.88 -2.23 116.57 122.44 3m1i h LYS 181 Ca -0.31 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3m1i h LYS 181 Cb 1.25 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 3m1i h LYS 181 CO 0.42 0.40 0.29 0.93 -2.27 0.00 0.00 179.45 179.22 3m1i h GLU 182 N 0.52 0.67 -0.30 1.90 5.08 -1.95 -1.54 114.58 118.96 3m1i h GLU 182 Ca 0.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3m1i h GLU 182 Cb 0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3m1i h GLU 182 CO -0.02 0.49 0.12 -0.91 -1.00 0.00 0.00 179.01 177.69 3m1i h ASN 183 N 0.66 0.42 -0.99 1.42 4.21 -1.88 -1.98 115.58 117.43 3m1i h ASN 183 Ca 0.18 -0.17 0.14 0.00 1.21 0.00 0.00 56.30 57.66 3m1i h ASN 183 Cb -0.00 -0.11 -0.09 0.00 -1.12 0.00 0.00 38.32 37.00 3m1i h ASN 183 CO -0.03 0.48 0.62 0.00 -1.29 0.00 0.00 177.43 177.20 3m1i h ALA 184 N 0.96 1.62 -0.03 -0.83 0.00 -1.18 0.18 119.26 119.97 3m1i h ALA 184 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m1i h ALA 184 Cb 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3m1i h ALA 184 CO -0.01 0.10 -0.00 -0.44 0.00 0.00 0.00 179.25 178.90 3m1i h ASP 185 N 0.88 0.05 -0.47 0.00 3.32 -1.10 -2.21 116.42 116.90 3m1i h ASP 185 Ca 0.52 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 57.26 3m1i h ASP 185 Cb 0.65 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3m1i h ASP 185 CO -0.29 0.38 0.23 0.50 -1.72 0.00 0.00 179.24 178.35 3m1i h LYS 186 N -0.29 0.45 -0.58 3.56 1.63 -1.11 -2.65 116.57 117.58 3m1i h LYS 186 Ca 0.01 -0.03 0.12 0.00 -0.85 0.00 0.00 60.65 59.90 3m1i h LYS 186 Cb 0.36 -0.10 -0.10 0.00 -0.60 0.00 0.00 32.23 31.79 3m1i h LYS 186 CO 0.00 0.30 -0.03 0.35 -3.45 0.00 0.00 179.45 176.62 3m1i h PHE 187 N 0.46 -0.09 -0.58 1.91 3.57 -0.89 -0.01 116.94 121.31 3m1i h PHE 187 Ca 0.20 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3m1i h PHE 187 Cb 0.11 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3m1i h PHE 187 CO -0.10 -0.17 0.35 -0.22 -2.23 0.00 0.00 178.31 175.94 3m1i h LYS 188 N 0.09 0.80 -0.41 1.11 3.64 -1.17 0.42 116.57 121.05 3m1i h LYS 188 Ca 0.30 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3m1i h LYS 188 Cb 0.47 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3m1i h LYS 188 CO -0.51 0.58 0.15 1.49 -2.27 0.00 0.00 179.45 178.89 3m1i h GLU 189 N 0.79 0.62 -0.31 1.90 4.81 -1.01 -0.53 114.58 120.84 3m1i h GLU 189 Ca 0.21 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 3m1i h GLU 189 Cb -0.01 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3m1i h GLU 189 CO -0.04 0.59 -0.33 0.93 -0.73 0.00 0.00 179.01 179.43 3m1i h GLU 190 N 0.52 0.68 -0.47 1.92 4.39 -0.62 -0.34 114.58 120.66 3m1i h GLU 190 Ca 0.13 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 3m1i h GLU 190 Cb 0.21 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3m1i h GLU 190 CO -0.01 0.92 0.15 0.35 -1.16 0.00 0.00 179.01 179.26 3m1i h PHE 191 N 0.57 0.74 -0.24 4.33 3.57 0.23 -0.63 116.94 125.51 3m1i h PHE 191 Ca 0.06 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3m1i h PHE 191 Cb 0.85 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 3m1i h PHE 191 CO 0.04 0.66 -0.22 0.93 -2.23 0.00 0.00 178.31 177.48 3m1i h GLU 192 N 0.62 0.57 -0.87 1.11 5.08 -1.07 -1.47 114.58 118.56 3m1i h GLU 192 Ca 0.15 -0.30 0.22 0.00 -1.00 0.00 0.00 59.36 58.44 3m1i h GLU 192 Cb 0.26 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.38 3m1i h GLU 192 CO -0.01 0.89 0.27 0.87 -1.00 0.00 0.00 179.01 180.03 3m1i h LYS 193 N 0.28 0.25 -0.02 2.33 1.57 -1.01 -1.92 116.57 118.05 3m1i h LYS 193 Ca 0.04 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3m1i h LYS 193 Cb 0.77 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3m1i h LYS 193 CO 0.06 0.17 -0.62 0.00 -0.57 0.00 0.00 179.45 178.48 3m1i h ALA 194 N 1.74 0.93 -0.55 3.86 0.00 -0.83 -2.03 119.26 122.38 3m1i h ALA 194 Ca 0.54 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3m1i h ALA 194 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3m1i h ALA 194 CO -0.61 0.77 0.08 1.96 0.00 0.00 0.00 179.25 181.45 3m1i h GLN 195 N 0.05 0.92 -0.42 0.00 4.20 -0.74 -0.98 115.11 118.14 3m1i h GLN 195 Ca -0.01 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.46 3m1i h GLN 195 Cb 1.11 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 3m1i h GLN 195 CO 0.09 0.89 0.27 0.93 -0.67 0.00 0.00 178.83 180.34 3m1i h GLU 196 N 0.81 0.54 -0.34 1.46 4.39 -1.24 0.29 114.58 120.49 3m1i h GLU 196 Ca 0.17 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.87 3m1i h GLU 196 Cb 0.42 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 3m1i h GLU 196 CO 0.01 0.36 0.14 0.82 -1.16 0.00 0.00 179.01 179.18 3m1i h ILE 197 N 0.56 0.94 -0.09 3.13 2.04 -1.16 -2.15 117.51 120.78 3m1i h ILE 197 Ca 0.16 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 3m1i h ILE 197 Cb -0.05 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3m1i h ILE 197 CO -0.04 0.06 -0.28 0.78 0.00 0.00 0.00 178.15 178.67 3m1i h ASN 198 N 0.30 0.15 0.19 1.72 2.35 -0.92 -3.03 115.58 116.36 3m1i h ASN 198 Ca 0.15 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3m1i h ASN 198 Cb 0.10 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3m1i h ASN 198 CO -0.13 0.44 -0.09 0.50 -1.65 0.00 0.00 177.43 176.49 3m1i h LYS 199 N 0.14 -0.25 -1.91 0.81 3.64 -0.75 -3.31 116.57 114.94 3m1i h LYS 199 Ca 0.02 0.02 -0.38 0.00 -1.27 0.00 0.00 60.65 59.04 3m1i h LYS 199 Cb 0.57 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.31 3m1i h LYS 199 CO 0.04 0.12 0.22 1.63 -2.27 0.00 0.00 179.45 179.20 3m1i n LYS 200 N -4.95 2.14 0.00 1.90 5.02 -0.83 -5.10 118.16 116.35 3m1i n LYS 200 Ca -0.07 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 3m1i n LYS 200 Cb 0.25 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3m1i n LYS 200 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88