#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shl h TYR 58 N 0.00 0.00 -4.14 4.78 0.99 -1.97 -3.46 116.97 113.17 1shl h TYR 58 Ca 0.00 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 60.06 1shl h TYR 58 Cb 0.00 0.00 -0.25 0.00 1.00 0.00 0.00 36.73 37.48 1shl h TYR 58 CO 0.00 0.00 -0.87 1.14 -0.00 0.00 0.00 178.16 178.43 1shl s GLN 59 N -3.14 1.58 0.27 4.88 0.00 -1.26 -1.12 119.66 120.87 1shl s GLN 59 Ca 0.08 -1.16 -0.30 0.00 -0.00 0.00 0.00 55.36 53.97 1shl s GLN 59 Cb 0.13 -1.85 -0.13 0.00 0.00 0.00 0.00 33.01 31.15 1shl s GLN 59 CO 0.66 0.46 1.42 0.66 0.00 0.00 0.00 175.29 178.50 1shl n TYR 60 N 1.48 2.30 -2.31 9.60 4.01 -0.14 -4.82 117.16 127.28 1shl n TYR 60 Ca -0.17 0.42 -0.43 0.00 -0.16 0.00 0.00 57.90 57.56 1shl n TYR 60 Cb 0.53 -2.48 -0.02 0.00 -0.31 0.00 0.00 39.34 37.06 1shl n TYR 60 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1shl s ASN 61 N 0.22 6.48 0.00 7.72 2.47 -1.26 -4.84 114.94 125.73 1shl s ASN 61 Ca 0.65 1.20 0.21 0.00 0.42 0.00 0.00 52.86 55.34 1shl s ASN 61 Cb -0.61 -2.54 0.53 0.00 -1.45 0.00 0.00 41.25 37.18 1shl s ASN 61 CO 0.52 -1.24 1.45 0.23 -3.72 0.00 0.00 177.10 174.33 1shl n MET 62 N 7.65 2.27 -2.06 0.43 2.81 -1.26 -4.81 117.12 122.14 1shl n MET 62 Ca 0.16 -1.93 -0.42 0.00 -1.81 0.00 0.00 57.70 53.70 1shl n MET 62 Cb 0.47 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1shl n MET 62 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1shl n ASN 63 N 1.12 4.31 -4.27 7.83 2.85 -1.26 -4.86 115.26 120.99 1shl n ASN 63 Ca 0.19 -2.88 -0.15 0.00 -0.11 0.00 0.00 54.58 51.63 1shl n ASN 63 Cb 0.51 -1.68 -0.10 0.00 1.24 0.00 0.00 39.78 39.75 1shl n ASN 63 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1shl s PHE 64 N 3.33 1.36 0.10 1.20 0.40 -1.26 -5.05 117.98 118.06 1shl s PHE 64 Ca 0.49 -1.19 -0.22 0.00 -0.60 0.00 0.00 56.93 55.40 1shl s PHE 64 Cb 0.10 -0.76 -0.13 0.00 0.51 0.00 0.00 43.02 42.73 1shl s PHE 64 CO -0.03 -0.38 1.74 0.93 0.70 0.00 0.00 175.22 178.18 1shl h GLU 65 N 2.52 0.03 -6.11 0.44 5.08 -1.71 -3.44 114.58 111.39 1shl h GLU 65 Ca -0.37 -0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.39 1shl h GLU 65 Cb 1.24 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 1shl h GLU 65 CO 0.60 0.02 -0.74 -1.59 -1.00 0.00 0.00 179.01 176.29 1shl s LYS 66 N -6.19 1.67 0.08 2.33 -2.85 -1.01 -5.04 119.74 108.73 1shl s LYS 66 Ca -0.13 -1.78 -0.21 0.00 -1.00 0.00 0.00 55.97 52.85 1shl s LYS 66 Cb 0.07 -1.70 -0.11 0.00 -2.06 0.00 0.00 37.83 34.03 1shl s LYS 66 CO 0.67 0.29 1.60 1.25 0.10 0.00 0.00 175.35 179.25 1shl h LEU 67 N 2.25 0.23 0.00 2.77 6.46 -1.86 -2.06 115.31 123.10 1shl h LEU 67 Ca -0.40 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1shl h LEU 67 Cb 1.26 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1shl h LEU 67 CO 0.62 0.36 0.00 0.61 -0.62 0.00 0.00 178.44 179.41 1shl n GLY 68 N -0.62 0.47 3.83 3.75 0.00 -1.26 -0.44 105.19 110.92 1shl n GLY 68 Ca -0.05 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1shl n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1shl s LYS 69 N -1.51 4.18 -0.26 1.61 2.47 -1.25 -1.33 119.74 123.65 1shl s LYS 69 Ca 0.00 0.96 -0.03 0.00 -1.56 0.00 0.00 55.97 55.33 1shl s LYS 69 Cb 0.00 -2.38 0.09 0.00 -1.46 0.00 0.00 37.83 34.08 1shl s LYS 69 CO 0.00 0.10 0.11 0.00 0.16 0.00 0.00 175.35 175.72 1shl s ILE 71 N 2.00 4.58 -0.25 0.00 1.01 -0.82 -2.01 121.20 125.71 1shl s ILE 71 Ca 0.07 1.62 0.01 0.00 0.00 0.00 0.00 60.65 62.35 1shl s ILE 71 Cb -0.16 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.25 1shl s ILE 71 CO -0.27 0.45 -0.10 -0.63 0.00 0.00 0.00 174.94 174.39 1shl s ILE 72 N -0.60 2.43 -0.31 2.92 1.01 0.44 -1.25 121.20 125.83 1shl s ILE 72 Ca 0.36 -1.35 -0.19 0.00 0.00 0.00 0.00 60.65 59.48 1shl s ILE 72 Cb -0.21 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1shl s ILE 72 CO 0.24 0.11 0.56 -0.63 0.00 0.00 0.00 174.94 175.22 1shl s ILE 73 N 1.20 4.99 -0.69 2.92 -1.09 -0.68 -0.14 121.20 127.72 1shl s ILE 73 Ca -0.04 0.67 0.05 0.00 -2.23 0.00 0.00 60.65 59.10 1shl s ILE 73 Cb -0.18 -3.95 0.21 0.00 -1.58 0.00 0.00 42.46 36.96 1shl s ILE 73 CO -0.06 -0.12 0.63 -3.20 -1.23 0.00 0.00 174.94 170.96 1shl n ASN 74 N 5.77 3.43 -4.60 3.58 4.05 0.93 -1.12 115.26 127.30 1shl n ASN 74 Ca -0.03 -3.32 -0.43 0.00 0.45 0.00 0.00 54.58 51.25 1shl n ASN 74 Cb 0.49 -0.73 -0.02 0.00 1.23 0.00 0.00 39.78 40.75 1shl n ASN 74 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1shl s ASN 75 N -1.91 6.63 -0.14 1.20 0.01 -0.27 -2.48 114.94 117.99 1shl s ASN 75 Ca 0.32 0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 52.87 1shl s ASN 75 Cb 0.04 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 1shl s ASN 75 CO -0.10 -1.22 -0.17 1.17 -1.51 0.00 0.00 177.10 175.28 1shl n LYS 76 N 7.73 0.30 -4.39 -0.60 4.81 -1.26 -4.42 118.16 120.33 1shl n LYS 76 Ca 0.11 0.12 -0.34 0.00 -0.87 0.00 0.00 58.31 57.33 1shl n LYS 76 Cb 0.49 -1.05 -0.10 0.00 0.02 0.00 0.00 35.03 34.39 1shl n LYS 76 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1shl s ASN 77 N -6.05 5.09 0.05 3.14 0.01 -1.26 -2.32 114.94 113.61 1shl s ASN 77 Ca -0.19 0.06 0.07 0.00 -0.71 0.00 0.00 52.86 52.10 1shl s ASN 77 Cb 0.07 -1.52 -0.03 0.00 0.41 0.00 0.00 41.25 40.18 1shl s ASN 77 CO 0.25 0.32 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.60 1shl s PHE 78 N -0.54 1.80 -0.06 2.20 0.40 -1.26 -4.63 117.98 115.89 1shl s PHE 78 Ca 0.09 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 55.75 1shl s PHE 78 Cb -0.12 -1.07 -0.07 0.00 0.51 0.00 0.00 43.02 42.27 1shl s PHE 78 CO 0.02 0.10 2.01 -0.51 0.70 0.00 0.00 175.22 177.54 1shl s ASP 79 N -1.22 6.16 0.00 1.36 1.01 -0.72 -4.84 116.67 118.41 1shl s ASP 79 Ca 0.07 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.69 1shl s ASP 79 Cb -0.09 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1shl s ASP 79 CO 0.02 -1.33 0.00 0.29 0.21 0.00 0.00 175.17 174.36 1shl n LYS 80 N 7.89 0.00 0.00 8.23 4.01 -1.26 -1.34 118.16 135.70 1shl n LYS 80 Ca 0.23 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.03 1shl n LYS 80 Cb 0.43 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.95 1shl n LYS 80 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1shl n VAL 81 N -2.62 0.00 -0.14 -0.18 0.31 -1.26 -0.90 118.33 113.53 1shl n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1shl n VAL 81 Cb 0.00 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1shl n VAL 81 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1shl n THR 82 N -0.27 0.00 -3.97 2.52 -2.24 -0.45 -5.03 114.28 104.85 1shl n THR 82 Ca 0.00 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1shl n THR 82 Cb 0.01 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 1shl n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shl n GLY 83 N 0.38 -0.40 3.25 3.38 0.00 -0.08 -4.96 105.19 106.76 1shl n GLY 83 Ca 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1shl n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1shl s MET 84 N -6.66 3.16 0.71 1.61 -1.94 -1.26 -5.12 119.30 109.80 1shl s MET 84 Ca 0.13 -0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 53.22 1shl s MET 84 Cb -0.06 -2.54 0.02 0.00 2.01 0.00 0.00 34.83 34.27 1shl s MET 84 CO 0.91 0.05 1.07 0.20 -0.01 0.00 0.00 175.02 177.24 1shl s GLY 85 N 0.70 1.70 0.10 -0.03 0.00 -1.26 -4.45 107.32 104.08 1shl s GLY 85 Ca -0.08 0.16 -0.35 0.00 0.00 0.00 0.00 44.72 44.45 1shl s GLY 85 CO 0.01 0.48 1.57 -0.62 0.00 0.00 0.00 173.10 174.54 1shl n VAL 86 N -3.17 0.09 -2.59 1.40 0.31 -1.26 -4.80 118.33 108.30 1shl n VAL 86 Ca 0.08 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.97 1shl n VAL 86 Cb 0.53 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1shl n VAL 86 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1shl n ARG 87 N 3.70 3.68 -1.69 5.55 1.74 -0.98 -5.01 116.66 123.65 1shl n ARG 87 Ca 0.18 -3.76 -0.43 0.00 -0.77 0.00 0.00 57.85 53.07 1shl n ARG 87 Cb 0.26 -2.88 -0.01 0.00 -1.02 0.00 0.00 32.46 28.81 1shl n ARG 87 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1shl n ASN 88 N 3.87 2.75 0.00 0.55 3.02 -1.26 -2.30 115.26 121.89 1shl n ASN 88 Ca 0.37 1.19 0.00 0.00 -0.03 0.00 0.00 54.58 56.11 1shl n ASN 88 Cb 0.37 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1shl n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1shl n GLY 89 N 1.10 2.30 0.34 7.41 0.00 -1.26 -4.87 105.19 110.21 1shl n GLY 89 Ca 0.06 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.31 1shl n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shl h THR 90 N 0.00 0.00 0.13 2.61 1.03 -1.83 -1.12 112.91 113.74 1shl h THR 90 Ca 0.00 -0.03 -0.24 0.00 -0.01 0.00 0.00 66.41 66.13 1shl h THR 90 Cb 0.00 1.03 0.03 0.00 -1.07 0.00 0.00 68.15 68.13 1shl h THR 90 CO 0.00 0.00 -1.03 0.44 -0.01 0.00 0.00 175.52 174.92 1shl h ASP 91 N 0.00 0.67 -0.64 0.00 3.32 -1.90 -0.09 116.42 117.78 1shl h ASP 91 Ca -0.00 -0.88 0.02 0.00 0.02 0.00 0.00 57.03 56.19 1shl h ASP 91 Cb 0.03 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1shl h ASP 91 CO 0.00 1.49 0.43 0.50 -1.72 0.00 0.00 179.24 179.93 1shl h LYS 92 N -0.05 0.79 0.87 3.56 3.64 -1.81 -0.72 116.57 122.85 1shl h LYS 92 Ca -0.17 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1shl h LYS 92 Cb 1.77 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 33.42 1shl h LYS 92 CO 0.20 0.52 -0.42 -0.44 -2.27 0.00 0.00 179.45 177.04 1shl h ASP 93 N 0.81 -0.99 -0.72 4.20 3.32 -1.15 -1.94 116.42 119.94 1shl h ASP 93 Ca 0.25 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.34 1shl h ASP 93 Cb 0.00 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1shl h ASP 93 CO -0.06 -0.66 0.48 0.00 -1.72 0.00 0.00 179.24 177.27 1shl h ALA 94 N -1.19 1.50 -0.39 3.45 0.00 -0.87 -0.09 119.26 121.65 1shl h ALA 94 Ca -0.12 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1shl h ALA 94 Cb 0.90 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1shl h ALA 94 CO 0.20 0.46 -0.13 1.49 0.00 0.00 0.00 179.25 181.27 1shl h GLU 95 N 0.96 0.78 -0.32 0.00 4.81 -1.18 -0.31 114.58 119.33 1shl h GLU 95 Ca 0.27 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1shl h GLU 95 Cb -0.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1shl h GLU 95 CO -0.06 0.93 0.13 0.00 -0.73 0.00 0.00 179.01 179.28 1shl h ALA 96 N 0.83 0.38 -0.60 2.92 0.00 -0.61 -2.15 119.26 120.02 1shl h ALA 96 Ca 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1shl h ALA 96 Cb 0.66 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1shl h ALA 96 CO 0.05 -0.27 0.25 -0.07 0.00 0.00 0.00 179.25 179.21 1shl h LEU 97 N 0.27 0.82 0.23 0.00 3.38 -0.97 -2.16 115.31 116.88 1shl h LEU 97 Ca 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1shl h LEU 97 Cb 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1shl h LEU 97 CO -0.13 0.76 -0.20 0.15 0.09 0.00 0.00 178.44 179.11 1shl h PHE 98 N 0.83 -0.51 -0.81 1.13 3.57 -0.83 -0.26 116.94 120.06 1shl h PHE 98 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1shl h PHE 98 Cb 0.18 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1shl h PHE 98 CO 0.01 -0.30 0.47 -0.22 -2.23 0.00 0.00 178.31 176.04 1shl h LYS 99 N -0.44 1.12 0.12 1.11 3.64 -1.36 -0.94 116.57 119.81 1shl h LYS 99 Ca -0.01 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1shl h LYS 99 Cb 0.40 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1shl h LYS 99 CO -0.03 0.81 -0.06 0.00 -2.27 0.00 0.00 179.45 177.90 1shl h PHE 101 N -0.44 0.02 -0.51 0.00 -1.00 -1.00 -1.37 116.94 112.65 1shl h PHE 101 Ca -0.02 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.63 1shl h PHE 101 Cb 0.36 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1shl h PHE 101 CO 0.02 0.58 -0.18 -0.09 -1.61 0.00 0.00 178.31 177.04 1shl h ARG 102 N 0.01 1.01 -0.05 1.51 9.65 -1.16 -1.65 114.38 123.71 1shl h ARG 102 Ca -0.01 -0.41 -0.09 0.00 -1.10 0.00 0.00 59.98 58.37 1shl h ARG 102 Cb 1.01 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 1shl h ARG 102 CO 0.08 1.09 -0.39 1.03 2.80 0.00 0.00 179.97 184.58 1shl h SER 103 N 0.88 0.10 -0.02 -3.80 0.87 -0.94 -1.81 113.55 108.83 1shl h SER 103 Ca 0.12 -0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 1shl h SER 103 Cb 0.75 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1shl h SER 103 CO 0.06 0.49 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.66 1shl h LEU 104 N 0.09 0.29 0.00 2.23 3.38 -0.93 -3.47 115.31 116.89 1shl h LEU 104 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1shl h LEU 104 Cb 0.73 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1shl h LEU 104 CO 0.05 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.63 1shl n GLY 105 N -0.84 1.19 3.82 0.83 0.00 -0.68 -5.00 105.19 104.51 1shl n GLY 105 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1shl n GLY 105 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1shl s PHE 106 N -1.62 3.32 -0.84 1.61 0.40 -0.67 -4.13 117.98 116.05 1shl s PHE 106 Ca 0.00 1.59 -0.22 0.00 -0.60 0.00 0.00 56.93 57.70 1shl s PHE 106 Cb 0.00 -2.84 0.08 0.00 0.51 0.00 0.00 43.02 40.77 1shl s PHE 106 CO 0.00 -0.09 1.18 -0.51 0.70 0.00 0.00 175.22 176.50 1shl s ASP 107 N -2.17 6.39 -0.04 1.36 1.01 -0.44 -4.46 116.67 118.32 1shl s ASP 107 Ca 0.61 -1.35 -0.16 0.00 0.71 0.00 0.00 52.55 52.36 1shl s ASP 107 Cb -0.09 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1shl s ASP 107 CO 0.13 -1.40 0.44 -0.69 0.21 0.00 0.00 175.17 173.86 1shl s VAL 108 N 4.10 5.07 -0.04 -1.27 1.01 -1.26 -2.08 120.40 125.93 1shl s VAL 108 Ca 0.33 0.89 0.02 0.00 0.00 0.00 0.00 61.98 63.23 1shl s VAL 108 Cb -0.08 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1shl s VAL 108 CO -0.00 0.48 -0.10 -0.63 0.00 0.00 0.00 175.10 174.86 1shl s ILE 109 N -0.44 0.88 -0.15 2.22 1.01 -0.85 -4.98 121.20 118.88 1shl s ILE 109 Ca 0.24 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 1shl s ILE 109 Cb -0.16 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 1shl s ILE 109 CO 0.12 0.28 -0.01 -0.69 0.00 0.00 0.00 174.94 174.64 1shl s VAL 110 N 0.33 4.13 -0.08 2.92 1.01 -1.26 -0.42 120.40 127.02 1shl s VAL 110 Ca -0.06 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1shl s VAL 110 Cb -0.11 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1shl s VAL 110 CO 0.01 0.50 -0.23 -0.31 0.00 0.00 0.00 175.10 175.07 1shl s TYR 111 N 0.20 2.53 0.01 5.22 1.51 0.80 -4.96 117.35 122.65 1shl s TYR 111 Ca -0.00 -0.87 0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1shl s TYR 111 Cb -0.13 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1shl s TYR 111 CO 0.02 -0.31 -0.04 -0.80 -1.11 0.00 0.00 175.55 173.31 1shl s ASN 112 N 0.11 4.81 -1.53 2.29 -0.87 -1.26 -0.05 114.94 118.44 1shl s ASN 112 Ca -0.12 -0.10 -0.01 0.00 -1.57 0.00 0.00 52.86 51.06 1shl s ASN 112 Cb -0.16 -1.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.91 1shl s ASN 112 CO 0.06 0.28 0.04 0.47 -2.57 0.00 0.00 177.10 175.38 1shl n ASP 113 N 1.44 0.73 -4.77 -1.22 8.00 -1.03 -4.89 116.55 114.80 1shl n ASP 113 Ca -0.15 -1.27 -0.40 0.00 0.71 0.00 0.00 54.79 53.68 1shl n ASP 113 Cb 0.53 -1.66 -0.02 0.00 -0.02 0.00 0.00 41.12 39.94 1shl n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1shl s SER 115 N -0.58 4.51 0.22 0.00 1.04 -1.26 -0.39 113.70 117.23 1shl s SER 115 Ca 0.49 1.05 -0.08 0.00 0.48 0.00 0.00 55.95 57.89 1shl s SER 115 Cb -0.38 -1.70 0.28 0.00 0.10 0.00 0.00 66.02 64.32 1shl s SER 115 CO 0.51 -1.93 1.81 0.00 0.98 0.00 0.00 173.24 174.60 1shl h ALA 117 N 1.38 0.79 -0.51 0.00 0.00 -1.98 -2.21 119.26 116.73 1shl h ALA 117 Ca 0.32 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1shl h ALA 117 Cb 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1shl h ALA 117 CO -0.20 0.65 0.21 0.87 0.00 0.00 0.00 179.25 180.78 1shl h LYS 118 N 0.69 0.40 -0.71 0.00 1.79 -1.65 0.26 116.57 117.35 1shl h LYS 118 Ca 0.08 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1shl h LYS 118 Cb 0.81 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.33 1shl h LYS 118 CO 0.07 0.27 0.44 0.52 -1.08 0.00 0.00 179.45 179.66 1shl h MET 119 N 0.41 0.97 -0.17 3.15 2.86 -1.11 0.21 114.93 121.25 1shl h MET 119 Ca 0.24 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1shl h MET 119 Cb 0.22 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1shl h MET 119 CO -0.22 0.68 0.01 1.96 1.06 0.00 0.00 176.91 180.41 1shl h GLN 120 N 0.97 0.30 -0.19 1.72 1.08 -0.76 -2.78 115.11 115.45 1shl h GLN 120 Ca 0.26 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.33 1shl h GLN 120 Cb -0.04 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1shl h GLN 120 CO -0.05 0.49 -0.02 0.22 -0.95 0.00 0.00 178.83 178.53 1shl h ASP 121 N 0.06 0.35 -0.75 1.46 3.58 -0.29 -0.44 116.42 120.39 1shl h ASP 121 Ca 0.05 -0.33 0.10 0.00 0.42 0.00 0.00 57.03 57.27 1shl h ASP 121 Cb 0.35 -0.09 -0.12 0.00 1.72 0.00 0.00 39.33 41.19 1shl h ASP 121 CO 0.01 0.60 -0.47 -0.07 -2.88 0.00 0.00 179.24 176.42 1shl h LEU 122 N 0.10 -1.68 -0.60 2.28 4.07 -0.62 0.30 115.31 119.15 1shl h LEU 122 Ca 0.05 0.28 -0.15 0.00 0.08 0.00 0.00 57.88 58.14 1shl h LEU 122 Cb 0.43 0.77 -0.02 0.00 1.08 0.00 0.00 40.66 42.92 1shl h LEU 122 CO 0.01 -0.31 -0.69 -0.07 -1.08 0.00 0.00 178.44 176.31 1shl h LEU 123 N -0.14 0.09 0.07 1.67 4.07 -1.41 0.03 115.31 119.68 1shl h LEU 123 Ca 0.20 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1shl h LEU 123 Cb 0.54 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1shl h LEU 123 CO -0.80 0.75 -0.03 0.50 -1.08 0.00 0.00 178.44 177.77 1shl h LYS 124 N 0.05 -0.09 -0.63 1.13 3.64 -0.37 -1.70 116.57 118.60 1shl h LYS 124 Ca -0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1shl h LYS 124 Cb 1.22 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 1shl h LYS 124 CO 0.09 0.36 0.32 0.87 -2.27 0.00 0.00 179.45 178.83 1shl h LYS 125 N -0.57 0.58 -0.37 1.90 1.57 -0.46 -0.35 116.57 118.88 1shl h LYS 125 Ca -0.01 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1shl h LYS 125 Cb 0.49 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 1shl h LYS 125 CO 0.02 0.38 -0.17 0.00 -0.57 0.00 0.00 179.45 179.11 1shl h ALA 126 N 1.35 0.11 0.00 3.86 0.00 -0.97 -0.68 119.26 122.94 1shl h ALA 126 Ca 0.29 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1shl h ALA 126 Cb 0.22 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1shl h ALA 126 CO -0.20 -0.54 -0.27 0.66 0.00 0.00 0.00 179.25 178.90 1shl h SER 127 N -0.11 0.00 1.32 0.00 4.64 -0.75 -2.74 113.55 115.91 1shl h SER 127 Ca 0.18 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1shl h SER 127 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1shl h SER 127 CO -0.44 0.27 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.36 1shl h GLU 128 N 0.00 0.00 -7.12 4.77 5.08 0.37 -3.44 114.58 114.24 1shl h GLU 128 Ca -0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.89 1shl h GLU 128 Cb 0.49 0.00 0.21 0.00 0.50 0.00 0.00 28.75 29.95 1shl h GLU 128 CO 0.04 0.11 -0.05 0.39 -1.00 0.00 0.00 179.01 178.50 1shl n GLU 129 N -3.19 -1.86 -3.27 2.33 1.02 -0.59 -4.98 120.64 110.10 1shl n GLU 129 Ca 0.02 -0.50 -0.40 0.00 -0.02 0.00 0.00 57.16 56.25 1shl n GLU 129 Cb 0.44 -2.18 -0.08 0.00 -0.02 0.00 0.00 31.44 29.60 1shl n GLU 129 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1shl s ASP 130 N -2.41 6.35 -0.25 1.62 2.15 -1.26 -4.95 116.67 117.92 1shl s ASP 130 Ca 0.67 0.26 0.13 0.00 0.43 0.00 0.00 52.55 54.03 1shl s ASP 130 Cb -0.24 -2.26 0.58 0.00 -0.30 0.00 0.00 42.92 40.70 1shl s ASP 130 CO 0.64 -0.34 1.54 1.41 -0.17 0.00 0.00 175.17 178.24 1shl n HIS 131 N 5.58 1.38 -0.13 -5.34 8.25 -1.26 -4.68 115.22 119.02 1shl n HIS 131 Ca -0.05 -1.18 0.06 0.00 -0.26 0.00 0.00 57.72 56.29 1shl n HIS 131 Cb 0.50 -0.47 0.38 0.00 1.12 0.00 0.00 29.99 31.52 1shl n HIS 131 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1shl h THR 132 N 1.76 1.03 -0.24 1.59 2.02 -1.93 -2.68 112.91 114.46 1shl h THR 132 Ca 0.14 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1shl h THR 132 Cb 1.75 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1shl h THR 132 CO 0.41 0.12 0.00 0.59 0.37 0.00 0.00 175.52 177.01 1shl n ASN 133 N -4.47 2.69 -4.82 4.18 3.02 -1.26 -4.95 115.26 109.64 1shl n ASN 133 Ca 0.09 -1.87 -0.32 0.00 -0.03 0.00 0.00 54.58 52.45 1shl n ASN 133 Cb 0.21 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.17 1shl n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1shl s ALA 134 N -1.70 3.71 0.17 5.41 0.00 -1.01 -1.83 121.76 126.51 1shl s ALA 134 Ca 0.35 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.48 1shl s ALA 134 Cb 0.21 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.71 1shl s ALA 134 CO 0.30 0.74 1.40 0.00 0.00 0.00 0.00 175.76 178.19 1shl h ALA 135 N 3.69 0.57 -2.39 0.00 0.00 -0.39 -3.48 119.26 117.26 1shl h ALA 135 Ca -0.48 -0.74 0.12 0.00 0.00 0.00 0.00 54.91 53.81 1shl h ALA 135 Cb 1.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1shl h ALA 135 CO 0.66 0.97 0.47 0.00 0.00 0.00 0.00 179.25 181.35 1shl s PHE 137 N -2.90 0.36 -0.10 0.00 5.36 -0.76 -3.94 117.98 116.00 1shl s PHE 137 Ca 0.18 -0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 55.63 1shl s PHE 137 Cb -0.02 -0.24 0.05 0.00 -0.34 0.00 0.00 43.02 42.46 1shl s PHE 137 CO 0.05 -0.14 0.24 0.00 -1.46 0.00 0.00 175.22 173.90 1shl s ALA 138 N -1.29 -0.54 -0.08 11.12 0.00 -0.66 0.09 121.76 130.40 1shl s ALA 138 Ca -0.13 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.84 1shl s ALA 138 Cb -0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1shl s ALA 138 CO -0.01 -0.21 -0.19 0.00 0.00 0.00 0.00 175.76 175.36 1shl s ILE 140 N -0.04 2.89 -0.20 0.00 1.01 -0.38 -0.39 121.20 124.09 1shl s ILE 140 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1shl s ILE 140 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1shl s ILE 140 CO 0.04 0.52 -0.14 -0.76 0.00 0.00 0.00 174.94 174.61 1shl s LEU 141 N 0.44 2.45 -0.29 2.97 1.43 0.79 -1.69 118.68 124.78 1shl s LEU 141 Ca -0.11 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1shl s LEU 141 Cb -0.16 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.56 1shl s LEU 141 CO 0.05 -0.02 -0.05 -0.76 0.23 0.00 0.00 176.35 175.81 1shl s LEU 142 N 1.35 3.89 0.00 1.79 1.43 -0.27 -0.48 118.68 126.38 1shl s LEU 142 Ca 0.05 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 1shl s LEU 142 Cb -0.14 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1shl s LEU 142 CO -0.09 -0.26 0.00 -0.24 0.23 0.00 0.00 176.35 175.99 1shl n SER 143 N 4.41 0.00 -4.85 2.29 2.88 -1.04 -1.11 113.62 116.20 1shl n SER 143 Ca -0.09 -0.65 -0.36 0.00 -1.33 0.00 0.00 58.87 56.45 1shl n SER 143 Cb 0.42 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 1shl n SER 143 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1shl s HIS 144 N -6.85 3.64 0.01 0.66 3.76 -1.26 -3.34 115.29 111.91 1shl s HIS 144 Ca 0.00 0.98 0.01 0.00 -0.15 0.00 0.00 55.06 55.90 1shl s HIS 144 Cb 0.00 -2.30 -0.01 0.00 1.11 0.00 0.00 32.58 31.38 1shl s HIS 144 CO 0.00 0.51 -0.04 0.20 -0.85 0.00 0.00 174.74 174.56 1shl s GLY 145 N -1.56 0.26 0.00 -2.22 0.00 -0.26 -1.74 107.32 101.79 1shl s GLY 145 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.72 1shl s GLY 145 CO 0.18 -0.33 0.00 1.18 0.00 0.00 0.00 173.10 174.13 1shl n GLU 146 N 2.52 0.00 -0.01 2.90 1.02 -1.08 -4.27 120.64 121.72 1shl n GLU 146 Ca -0.16 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.96 1shl n GLU 146 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.98 1shl n GLU 146 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1shl n GLU 147 N -0.03 0.06 -1.61 3.49 -0.58 -1.26 -4.87 120.64 115.85 1shl n GLU 147 Ca 0.00 0.02 -0.04 0.00 -0.42 0.00 0.00 57.16 56.72 1shl n GLU 147 Cb 0.00 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1shl n GLU 147 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1shl n ASN 148 N -2.68 -0.66 -3.71 1.62 6.94 -1.26 -5.11 115.26 110.39 1shl n ASN 148 Ca -0.05 -2.06 -0.12 0.00 -0.02 0.00 0.00 54.58 52.34 1shl n ASN 148 Cb 0.55 0.26 -0.10 0.00 -2.36 0.00 0.00 39.78 38.12 1shl n ASN 148 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1shl s VAL 149 N -0.22 -0.01 0.29 3.53 0.11 -1.26 -1.18 120.40 121.65 1shl s VAL 149 Ca 0.09 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1shl s VAL 149 Cb 0.19 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 1shl s VAL 149 CO -0.06 0.02 0.35 -0.63 -3.33 0.00 0.00 175.10 171.45 1shl s ILE 150 N 0.74 4.44 -0.15 7.04 -1.09 0.20 -2.63 121.20 129.75 1shl s ILE 150 Ca -0.04 -1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 57.16 1shl s ILE 150 Cb -0.05 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1shl s ILE 150 CO -0.05 -0.25 0.14 -0.31 -1.23 0.00 0.00 174.94 173.23 1shl s TYR 151 N -2.13 3.54 0.51 3.97 1.51 -0.71 0.06 117.35 124.10 1shl s TYR 151 Ca 0.38 0.47 0.01 0.00 -1.01 0.00 0.00 57.07 56.92 1shl s TYR 151 Cb -0.08 -2.02 0.10 0.00 -0.11 0.00 0.00 41.96 39.85 1shl s TYR 151 CO 0.28 0.59 0.71 0.41 -1.11 0.00 0.00 175.55 176.43 1shl n GLY 152 N 2.50 0.82 0.33 0.71 0.00 -1.26 -4.66 105.19 103.62 1shl n GLY 152 Ca -0.19 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.70 1shl n GLY 152 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1shl h LYS 153 N 0.00 -0.38 -1.16 1.61 3.64 -0.97 -3.28 116.57 116.02 1shl h LYS 153 Ca -0.23 0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 58.90 1shl h LYS 153 Cb 0.88 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 32.64 1shl h LYS 153 CO 0.26 -0.26 0.35 -0.40 -2.27 0.00 0.00 179.45 177.13 1shl n ASP 154 N -4.57 4.32 0.00 4.20 5.75 -1.26 -1.76 116.55 123.23 1shl n ASP 154 Ca -0.04 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 51.87 1shl n ASP 154 Cb 0.26 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 1shl n ASP 154 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1shl n GLY 155 N -0.11 0.43 3.41 6.12 0.00 -1.24 -4.85 105.19 108.96 1shl n GLY 155 Ca 0.29 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1shl n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1shl s VAL 156 N -0.98 2.34 -0.07 1.61 -7.23 -1.26 -5.67 120.40 109.14 1shl s VAL 156 Ca 0.00 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.32 1shl s VAL 156 Cb 0.00 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.90 1shl s VAL 156 CO 0.00 0.04 0.18 -0.89 -0.31 0.00 0.00 175.10 174.13 1shl s THR 157 N -1.21 -0.02 0.17 5.32 2.01 0.11 -4.89 115.64 117.13 1shl s THR 157 Ca 0.16 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1shl s THR 157 Cb -0.10 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.07 1shl s THR 157 CO 0.07 0.02 1.02 -2.16 -0.69 0.00 0.00 174.62 172.88 1shl s PRO 158 N 0.50 4.69 0.21 4.92 0.04 -1.26 0.60 135.00 144.70 1shl s PRO 158 Ca -0.03 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.45 1shl s PRO 158 Cb -0.05 -3.31 0.25 0.00 0.04 0.00 0.00 34.50 31.43 1shl s PRO 158 CO -0.02 0.22 1.63 0.82 0.04 0.00 0.00 177.00 179.68 1shl h ILE 159 N 3.72 0.38 -0.98 0.56 1.08 -1.47 -2.18 117.51 118.63 1shl h ILE 159 Ca -0.44 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1shl h ILE 159 Cb 1.21 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 1shl h ILE 159 CO 0.71 0.00 0.64 0.07 -0.69 0.00 0.00 178.15 178.89 1shl h LYS 160 N 0.02 1.25 -0.37 2.37 2.10 -1.87 -1.73 116.57 118.34 1shl h LYS 160 Ca 0.31 -0.07 0.05 0.00 -2.00 0.00 0.00 60.65 58.93 1shl h LYS 160 Cb 0.48 -0.28 -0.02 0.00 -0.90 0.00 0.00 32.23 31.51 1shl h LYS 160 CO -0.63 0.82 0.25 -0.44 -2.00 0.00 0.00 179.45 177.45 1shl h ASP 161 N 1.28 0.27 -0.27 7.07 3.32 -1.78 0.02 116.42 126.33 1shl h ASP 161 Ca 0.37 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 1shl h ASP 161 Cb -0.08 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1shl h ASP 161 CO -0.10 0.18 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.42 1shl h LEU 162 N 0.31 0.67 0.00 1.55 3.38 -1.35 -3.21 115.31 116.65 1shl h LEU 162 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1shl h LEU 162 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1shl h LEU 162 CO -0.03 0.81 -0.92 0.35 0.09 0.00 0.00 178.44 178.73 1shl n THR 163 N -4.17 0.36 -0.15 0.22 -2.24 -0.58 -4.23 114.28 103.48 1shl n THR 163 Ca 0.01 -0.35 0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1shl n THR 163 Cb 0.35 -0.08 0.54 0.00 -2.10 0.00 0.00 70.33 69.05 1shl n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shl h ALA 164 N 2.35 2.22 0.00 6.98 0.00 -1.03 -0.88 119.26 128.89 1shl h ALA 164 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1shl h ALA 164 Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1shl h ALA 164 CO 0.00 -0.43 0.00 0.45 0.00 0.00 0.00 179.25 179.27 1shl h HIS 165 N 0.33 0.00 -0.50 0.00 3.86 -1.75 -3.08 115.15 114.01 1shl h HIS 165 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1shl h HIS 165 Cb 0.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1shl h HIS 165 CO -0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 1shl n PHE 166 N -2.50 0.91 -0.42 2.45 3.72 -0.34 -4.13 117.46 117.15 1shl n PHE 166 Ca 0.02 -0.58 -0.27 0.00 -0.05 0.00 0.00 57.45 56.57 1shl n PHE 166 Cb 0.28 -0.12 0.24 0.00 -0.94 0.00 0.00 39.48 38.95 1shl n PHE 166 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1shl n ARG 167 N 0.79 -3.29 0.33 -1.08 5.12 -1.17 -4.67 116.66 112.69 1shl n ARG 167 Ca 0.19 -0.96 0.15 0.00 -1.93 0.00 0.00 57.85 55.30 1shl n ARG 167 Cb 0.65 -1.84 0.78 0.00 -1.16 0.00 0.00 32.46 30.89 1shl n ARG 167 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1shl h GLY 168 N -2.99 0.00 0.00 -0.13 0.00 -1.92 -3.25 103.07 94.78 1shl h GLY 168 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1shl h GLY 168 CO 0.31 0.00 -0.32 2.09 0.00 0.00 0.00 176.54 178.62 1shl n ASP 169 N -2.85 1.50 0.23 0.19 5.75 -1.26 -4.68 116.55 115.44 1shl n ASP 169 Ca -0.02 0.00 0.16 0.00 -0.01 0.00 0.00 54.79 54.92 1shl n ASP 169 Cb 0.40 0.11 0.75 0.00 -1.03 0.00 0.00 41.12 41.35 1shl n ASP 169 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1shl h ARG 170 N 0.00 0.00 -2.13 0.11 3.08 -1.84 -3.09 114.38 110.51 1shl h ARG 170 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1shl h ARG 170 Cb 0.32 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.96 1shl h ARG 170 CO 0.00 0.00 -0.93 0.00 -1.07 0.00 0.00 179.97 177.97 1shl h LYS 172 N 3.09 0.00 0.00 0.00 1.57 -1.81 0.22 116.57 119.64 1shl h LYS 172 Ca 0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1shl h LYS 172 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1shl h LYS 172 CO 0.65 0.00 -0.52 1.79 -0.57 0.00 0.00 179.45 180.81 1shl h THR 173 N 0.00 1.03 -0.01 -0.16 1.35 -1.92 -3.12 112.91 110.08 1shl h THR 173 Ca 0.35 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1shl h THR 173 Cb 1.78 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 1shl h THR 173 CO -0.00 0.50 -0.24 0.18 -0.25 0.00 0.00 175.52 175.71 1shl n LEU 174 N -3.44 1.21 -4.60 3.87 4.77 0.76 -4.51 117.00 115.05 1shl n LEU 174 Ca 0.00 -0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.22 1shl n LEU 174 Cb 0.64 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1shl n LEU 174 CO 0.40 0.22 0.56 -0.11 -1.33 0.00 0.00 177.39 177.13 1shl n LEU 175 N -0.45 2.49 0.00 2.23 0.00 -1.13 -1.45 117.00 118.70 1shl n LEU 175 Ca 0.13 1.03 0.00 0.00 0.00 0.00 0.00 56.01 57.16 1shl n LEU 175 Cb 0.36 -1.34 0.00 0.00 0.00 0.00 0.00 43.42 42.44 1shl n LEU 175 CO 0.25 -1.56 0.00 -0.62 0.00 0.00 0.00 177.39 175.46 1shl n GLU 176 N 0.15 -0.41 -5.06 1.96 -0.58 -1.26 -4.97 120.64 110.47 1shl n GLU 176 Ca 0.10 0.10 -0.32 0.00 -0.42 0.00 0.00 57.16 56.62 1shl n GLU 176 Cb 0.39 -4.28 -0.14 0.00 -0.57 0.00 0.00 31.44 26.83 1shl n GLU 176 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1shl s LYS 177 N -1.04 2.45 0.12 3.49 1.02 -0.53 -4.96 119.74 120.30 1shl s LYS 177 Ca 0.00 -0.79 -0.34 0.00 0.02 0.00 0.00 55.97 54.86 1shl s LYS 177 Cb 0.00 -2.26 -0.14 0.00 -0.52 0.00 0.00 37.83 34.91 1shl s LYS 177 CO 0.00 0.55 1.60 -0.35 -0.92 0.00 0.00 175.35 176.23 1shl n PRO 178 N 2.51 2.08 -3.77 -1.68 -0.04 -1.26 -4.85 135.00 127.99 1shl n PRO 178 Ca -0.17 0.75 -0.37 0.00 -0.04 0.00 0.00 63.50 63.67 1shl n PRO 178 Cb 0.52 -2.52 -0.13 0.00 -0.04 0.00 0.00 33.50 31.33 1shl n PRO 178 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1shl s LYS 179 N 1.33 3.18 -0.19 0.54 3.01 0.40 -1.84 119.74 126.18 1shl s LYS 179 Ca 0.81 -0.80 -0.08 0.00 -1.01 0.00 0.00 55.97 54.89 1shl s LYS 179 Cb -0.70 -3.34 -0.04 0.00 -1.01 0.00 0.00 37.83 32.74 1shl s LYS 179 CO 0.40 -0.39 0.09 -0.51 0.51 0.00 0.00 175.35 175.45 1shl s LEU 180 N 1.51 3.96 -0.20 3.17 2.01 0.11 -1.76 118.68 127.49 1shl s LEU 180 Ca 0.03 0.14 0.01 0.00 0.01 0.00 0.00 54.13 54.32 1shl s LEU 180 Cb -0.17 -2.01 0.03 0.00 0.01 0.00 0.00 46.19 44.05 1shl s LEU 180 CO 0.02 0.18 -0.17 -0.36 1.01 0.00 0.00 176.35 177.03 1shl s PHE 181 N 0.37 2.83 -0.39 0.29 0.40 0.25 0.25 117.98 121.97 1shl s PHE 181 Ca 0.05 -1.78 -0.07 0.00 -0.60 0.00 0.00 56.93 54.53 1shl s PHE 181 Cb -0.12 -1.88 0.08 0.00 0.51 0.00 0.00 43.02 41.61 1shl s PHE 181 CO -0.01 -0.81 0.20 -0.06 0.70 0.00 0.00 175.22 175.24 1shl s PHE 182 N 1.27 3.37 -0.15 0.36 0.40 0.47 -0.73 117.98 122.97 1shl s PHE 182 Ca 0.01 -1.73 -0.02 0.00 -0.60 0.00 0.00 56.93 54.59 1shl s PHE 182 Cb -0.15 -2.81 -0.02 0.00 0.51 0.00 0.00 43.02 40.55 1shl s PHE 182 CO -0.10 -0.85 -0.09 0.42 0.70 0.00 0.00 175.22 175.29 1shl s ILE 183 N 1.34 3.32 -0.56 0.64 1.01 0.10 -0.15 121.20 126.91 1shl s ILE 183 Ca 0.02 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1shl s ILE 183 Cb -0.22 -2.43 0.14 0.00 0.01 0.00 0.00 42.46 39.96 1shl s ILE 183 CO 0.01 0.50 0.32 -1.58 0.00 0.00 0.00 174.94 174.19 1shl s GLN 184 N 0.57 2.02 -0.03 2.79 2.00 0.36 -1.57 119.66 125.81 1shl s GLN 184 Ca -0.06 -2.75 -0.01 0.00 -2.00 0.00 0.00 55.36 50.54 1shl s GLN 184 Cb -0.15 -3.20 -0.04 0.00 0.80 0.00 0.00 33.01 30.42 1shl s GLN 184 CO 0.03 -1.17 0.04 0.00 -0.50 0.00 0.00 175.29 173.69 1shl s ALA 185 N -0.55 3.45 -0.37 1.58 0.00 -1.12 -2.49 121.76 122.27 1shl s ALA 185 Ca 0.20 -0.85 0.13 0.00 0.00 0.00 0.00 51.96 51.43 1shl s ALA 185 Cb -0.19 -1.52 0.38 0.00 0.00 0.00 0.00 23.12 21.78 1shl s ALA 185 CO -0.05 0.65 0.84 0.00 0.00 0.00 0.00 175.76 177.20 1shl n ILE 213 N 0.17 0.00 -2.46 0.00 -5.35 -1.26 -1.11 119.36 109.35 1shl n ILE 213 Ca 0.18 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.66 1shl n ILE 213 Cb 0.71 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1shl n ILE 213 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1shl n PRO 214 N 1.18 3.27 -4.21 6.28 -0.04 -1.26 -4.79 135.00 135.43 1shl n PRO 214 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1shl n PRO 214 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1shl n PRO 214 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1shl s VAL 215 N 1.51 0.41 0.00 0.52 1.01 -1.26 -5.16 120.40 117.43 1shl s VAL 215 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.02 1shl s VAL 215 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1shl s VAL 215 CO 0.00 -0.39 0.00 -0.62 0.00 0.00 0.00 175.10 174.09 1shl n GLU 216 N -0.21 0.00 -1.61 2.72 1.02 -1.26 -5.02 120.64 116.28 1shl n GLU 216 Ca -0.05 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.63 1shl n GLU 216 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.03 1shl n GLU 216 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1shl n ALA 217 N -1.50 -0.11 -1.44 0.62 0.00 -1.26 -2.98 120.51 113.83 1shl n ALA 217 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 1shl n ALA 217 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 1shl n ALA 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1shl n ASP 218 N 1.74 -3.75 -4.90 0.00 8.00 -0.40 -4.94 116.55 112.30 1shl n ASP 218 Ca 0.12 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.46 1shl n ASP 218 Cb 0.29 -2.21 -0.04 0.00 -0.02 0.00 0.00 41.12 39.13 1shl n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1shl s PHE 219 N -2.33 3.49 -0.05 1.24 0.40 -1.16 -0.45 117.98 119.13 1shl s PHE 219 Ca 0.00 0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 1shl s PHE 219 Cb 0.00 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.79 1shl s PHE 219 CO 0.00 0.60 0.10 -1.17 0.70 0.00 0.00 175.22 175.45 1shl s LEU 220 N -2.35 1.12 -0.11 -0.37 0.20 -0.72 -1.64 118.68 114.81 1shl s LEU 220 Ca 0.32 0.20 0.02 0.00 0.69 0.00 0.00 54.13 55.37 1shl s LEU 220 Cb -0.13 0.25 -0.01 0.00 -0.43 0.00 0.00 46.19 45.88 1shl s LEU 220 CO 0.25 -0.10 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.67 1shl s PHE 221 N 0.77 2.70 -0.34 5.38 0.40 -0.06 -0.59 117.98 126.24 1shl s PHE 221 Ca -0.06 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.48 1shl s PHE 221 Cb -0.08 -1.77 0.06 0.00 0.51 0.00 0.00 43.02 41.74 1shl s PHE 221 CO -0.03 -0.26 0.10 0.00 0.70 0.00 0.00 175.22 175.73 1shl s ALA 222 N 0.25 2.99 -0.13 5.36 0.00 0.10 -1.13 121.76 129.20 1shl s ALA 222 Ca -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1shl s ALA 222 Cb -0.16 -2.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1shl s ALA 222 CO 0.06 -1.43 -0.14 -0.47 0.00 0.00 0.00 175.76 173.78 1shl s TYR 223 N 1.29 2.78 0.10 0.00 5.04 -1.11 -0.72 117.35 124.73 1shl s TYR 223 Ca -0.01 -0.69 0.03 0.00 -2.44 0.00 0.00 57.07 53.96 1shl s TYR 223 Cb -0.21 -1.83 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 1shl s TYR 223 CO -0.00 -0.24 -0.08 0.45 -1.34 0.00 0.00 175.55 174.34 1shl s SER 224 N 0.35 1.27 0.02 4.32 0.15 -0.61 -0.80 113.70 118.40 1shl s SER 224 Ca -0.12 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 55.62 1shl s SER 224 Cb -0.16 0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 1shl s SER 224 CO 0.06 -0.38 -0.05 0.42 1.20 0.00 0.00 173.24 174.50 1shl s THR 225 N -3.12 0.30 0.00 6.45 -4.23 -1.26 -2.81 115.64 110.98 1shl s THR 225 Ca 0.09 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1shl s THR 225 Cb 0.02 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.50 1shl s THR 225 CO -0.02 -0.28 0.00 0.52 -0.54 0.00 0.00 174.62 174.30 1shl n VAL 226 N 2.01 0.00 0.00 2.29 0.31 -1.26 -4.75 118.33 116.93 1shl n VAL 226 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1shl n VAL 226 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1shl n VAL 226 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1shl n ARG 237 N 0.00 0.00 -2.62 5.55 1.85 -1.26 -5.07 116.66 115.11 1shl n ARG 237 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.62 1shl n ARG 237 Cb 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 32.46 31.52 1shl n ARG 237 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1shl s GLY 238 N -0.36 1.75 0.49 2.89 0.00 -1.26 -4.85 107.32 105.98 1shl s GLY 238 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.71 1shl s GLY 238 CO 0.00 -1.22 0.61 -1.14 0.00 0.00 0.00 173.10 171.35 1shl n SER 239 N -2.83 -0.60 -0.34 1.64 3.41 -1.26 -4.67 113.62 108.97 1shl n SER 239 Ca 0.16 0.85 0.05 0.00 -0.26 0.00 0.00 58.87 59.67 1shl n SER 239 Cb 0.61 -1.18 0.20 0.00 -0.26 0.00 0.00 64.21 63.58 1shl n SER 239 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 1shl h TRP 240 N 0.66 1.04 0.67 7.33 6.55 -1.99 -1.03 115.95 129.19 1shl h TRP 240 Ca -0.43 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.41 1shl h TRP 240 Cb 1.39 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 29.35 1shl h TRP 240 CO 0.35 0.44 -0.48 0.35 -1.05 0.00 0.00 178.44 178.05 1shl h PHE 241 N 0.94 -1.29 0.13 0.49 3.57 -1.95 -1.28 116.94 117.55 1shl h PHE 241 Ca 0.45 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.96 1shl h PHE 241 Cb 0.39 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1shl h PHE 241 CO -0.03 -0.69 -0.33 0.28 -2.23 0.00 0.00 178.31 175.31 1shl h VAL 242 N -1.10 0.29 -0.97 1.41 2.07 -1.84 0.33 116.25 116.44 1shl h VAL 242 Ca -0.09 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.65 1shl h VAL 242 Cb 0.91 0.29 -0.12 0.00 -1.52 0.00 0.00 31.29 30.85 1shl h VAL 242 CO 0.05 0.00 0.55 -0.61 0.02 0.00 0.00 177.57 177.57 1shl h GLN 243 N -0.56 0.58 -0.06 1.57 4.15 -1.18 0.85 115.11 120.46 1shl h GLN 243 Ca 0.03 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.38 1shl h GLN 243 Cb 0.59 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1shl h GLN 243 CO -0.19 0.38 -0.10 0.00 -1.93 0.00 0.00 178.83 176.99 1shl h ALA 244 N 1.69 0.09 -0.86 3.38 0.00 -0.61 -2.44 119.26 120.51 1shl h ALA 244 Ca 0.60 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1shl h ALA 244 Cb 1.06 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1shl h ALA 244 CO -0.45 -0.05 0.53 1.25 0.00 0.00 0.00 179.25 180.53 1shl h LEU 245 N -0.32 0.85 -0.21 0.00 5.85 0.17 -1.32 115.31 120.33 1shl h LEU 245 Ca 0.00 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1shl h LEU 245 Cb 0.66 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1shl h LEU 245 CO 0.02 0.55 -0.21 0.00 -0.34 0.00 0.00 178.44 178.46 1shl h SER 247 N 0.20 0.06 -0.54 0.00 0.87 -1.11 0.51 113.55 113.54 1shl h SER 247 Ca 0.03 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1shl h SER 247 Cb 0.76 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1shl h SER 247 CO 0.05 0.21 0.25 0.40 -0.53 0.00 0.00 176.83 177.22 1shl h ILE 248 N -0.11 1.21 -0.48 2.23 1.08 -1.34 -2.79 117.51 117.30 1shl h ILE 248 Ca 0.01 -0.60 -0.12 0.00 -0.39 0.00 0.00 64.86 63.76 1shl h ILE 248 Cb 0.18 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1shl h ILE 248 CO -0.00 0.24 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.44 1shl h LEU 249 N 0.73 0.98 -2.21 1.44 3.38 -1.32 0.37 115.31 118.68 1shl h LEU 249 Ca 0.18 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1shl h LEU 249 Cb 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1shl h LEU 249 CO -0.02 1.14 0.08 -0.08 0.09 0.00 0.00 178.44 179.65 1shl h GLU 250 N 0.84 0.00 0.00 1.13 4.57 -0.80 -0.35 114.58 119.97 1shl h GLU 250 Ca 0.12 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.99 1shl h GLU 250 Cb 0.75 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.29 1shl h GLU 250 CO 0.06 0.00 -2.17 -1.91 -1.18 0.00 0.00 179.01 173.82 1shl n GLU 251 N -4.12 0.61 0.00 1.92 4.07 -0.96 -4.72 120.64 117.43 1shl n GLU 251 Ca -0.01 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 1shl n GLU 251 Cb 0.19 -1.41 0.00 0.00 -0.06 0.00 0.00 31.44 30.16 1shl n GLU 251 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1shl n HIS 252 N -3.05 0.00 0.07 4.31 8.25 0.12 -4.77 115.22 120.15 1shl n HIS 252 Ca -0.35 -0.11 0.04 0.00 -0.26 0.00 0.00 57.72 57.04 1shl n HIS 252 Cb 0.90 -0.01 0.21 0.00 1.12 0.00 0.00 29.99 32.21 1shl n HIS 252 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1shl n GLY 253 N -0.11 -0.57 0.04 -1.41 0.00 -0.14 -1.34 105.19 101.66 1shl n GLY 253 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1shl n GLY 253 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1shl n LYS 254 N -1.73 3.64 0.00 1.61 5.02 -1.26 -3.97 118.16 121.47 1shl n LYS 254 Ca -0.01 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1shl n LYS 254 Cb 0.10 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1shl n LYS 254 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1shl n ASP 255 N -1.03 3.42 -4.82 4.39 5.75 -0.45 -4.74 116.55 119.08 1shl n ASP 255 Ca 0.02 -0.10 -0.28 0.00 -0.01 0.00 0.00 54.79 54.42 1shl n ASP 255 Cb 0.15 0.88 -0.05 0.00 -1.03 0.00 0.00 41.12 41.07 1shl n ASP 255 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1shl s LEU 256 N -2.44 3.92 0.46 -2.12 1.43 -0.53 -5.10 118.68 114.30 1shl s LEU 256 Ca 0.00 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 1shl s LEU 256 Cb 0.00 -2.55 -0.10 0.00 0.03 0.00 0.00 46.19 43.57 1shl s LEU 256 CO 0.00 0.11 0.99 -0.70 0.23 0.00 0.00 176.35 176.99 1shl s GLU 257 N -2.80 4.03 0.28 1.70 -6.30 -1.26 -4.66 118.70 109.69 1shl s GLU 257 Ca 0.31 1.23 0.00 0.00 -2.50 0.00 0.00 54.97 54.01 1shl s GLU 257 Cb -0.11 -2.14 0.65 0.00 0.00 0.00 0.00 34.13 32.53 1shl s GLU 257 CO 0.24 -0.22 1.64 0.97 0.02 0.00 0.00 175.26 177.91 1shl h ILE 258 N 1.74 0.30 0.00 -3.70 6.09 -1.32 0.14 117.51 120.76 1shl h ILE 258 Ca -0.49 -0.06 -0.08 0.00 -1.37 0.00 0.00 64.86 62.86 1shl h ILE 258 Cb 1.20 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 1shl h ILE 258 CO 0.60 0.03 -0.40 0.24 -3.07 0.00 0.00 178.15 175.56 1shl h MET 259 N 0.17 0.00 -0.33 2.19 2.86 -1.93 -1.21 114.93 116.69 1shl h MET 259 Ca 0.53 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 58.05 1shl h MET 259 Cb 1.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1shl h MET 259 CO -0.68 0.40 -0.24 1.96 1.06 0.00 0.00 176.91 179.41 1shl h GLN 260 N 0.00 0.74 0.27 1.72 4.20 -1.11 -1.26 115.11 119.67 1shl h GLN 260 Ca -0.00 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.35 1shl h GLN 260 Cb 0.73 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1shl h GLN 260 CO 0.05 0.97 -0.25 0.82 -0.67 0.00 0.00 178.83 179.76 1shl h ILE 261 N 0.51 0.47 -0.33 2.54 1.08 -1.00 -2.33 117.51 118.44 1shl h ILE 261 Ca 0.06 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.44 1shl h ILE 261 Cb 0.79 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 1shl h ILE 261 CO 0.06 0.00 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.26 1shl h LEU 262 N -0.54 0.61 -0.76 1.44 3.38 -1.24 -0.48 115.31 117.72 1shl h LEU 262 Ca -0.01 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1shl h LEU 262 Cb 0.50 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1shl h LEU 262 CO -0.04 0.81 0.50 0.74 0.09 0.00 0.00 178.44 180.54 1shl h THR 263 N 0.55 1.18 -0.48 0.22 2.02 -1.20 0.85 112.91 116.05 1shl h THR 263 Ca 0.09 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 1shl h THR 263 Cb 0.63 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1shl h THR 263 CO 0.04 0.19 -0.04 0.03 0.37 0.00 0.00 175.52 176.11 1shl h ARG 264 N 1.02 0.83 0.03 6.66 3.08 -0.82 -1.35 114.38 123.84 1shl h ARG 264 Ca 0.28 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1shl h ARG 264 Cb -0.10 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 1shl h ARG 264 CO -0.07 0.86 -0.03 0.28 -1.07 0.00 0.00 179.97 179.95 1shl h VAL 265 N 0.77 0.94 -0.24 2.04 2.07 -0.58 -0.58 116.25 120.68 1shl h VAL 265 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 1shl h VAL 265 Cb 0.52 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 1shl h VAL 265 CO 0.03 0.00 -0.35 0.78 0.02 0.00 0.00 177.57 178.05 1shl h ASN 266 N -0.06 -1.13 -0.62 0.57 4.21 -0.56 -1.85 115.58 116.14 1shl h ASN 266 Ca -0.00 0.17 0.05 0.00 1.21 0.00 0.00 56.30 57.74 1shl h ASN 266 Cb 0.06 0.49 -0.05 0.00 -1.12 0.00 0.00 38.32 37.70 1shl h ASN 266 CO -0.00 -0.36 0.34 -0.78 -1.29 0.00 0.00 177.43 175.34 1shl h ASP 267 N -0.36 0.50 -0.22 5.81 3.58 -1.14 -1.89 116.42 122.69 1shl h ASP 267 Ca 0.12 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1shl h ASP 267 Cb 0.56 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1shl h ASP 267 CO -0.44 0.33 0.14 -0.09 -2.88 0.00 0.00 179.24 176.30 1shl h ARG 268 N 0.64 0.28 -0.09 0.28 9.65 -0.50 -0.93 114.38 123.70 1shl h ARG 268 Ca 0.28 -0.02 -0.16 0.00 -1.10 0.00 0.00 59.98 58.98 1shl h ARG 268 Cb 0.17 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1shl h ARG 268 CO -0.17 0.18 -0.64 -0.39 2.80 0.00 0.00 179.97 181.75 1shl h VAL 269 N 0.29 1.37 -0.85 0.20 -1.51 -1.26 -2.80 116.25 111.69 1shl h VAL 269 Ca 0.08 -2.01 0.07 0.00 -1.23 0.00 0.00 66.70 63.61 1shl h VAL 269 Cb -0.02 2.00 -0.06 0.00 -2.13 0.00 0.00 31.29 31.08 1shl h VAL 269 CO -0.03 0.60 0.52 0.00 -1.23 0.00 0.00 177.57 177.44 1shl h ALA 270 N 1.07 1.19 -0.31 5.19 0.00 -1.08 -1.54 119.26 123.77 1shl h ALA 270 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1shl h ALA 270 Cb 1.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1shl h ALA 270 CO 0.11 0.23 0.24 0.00 0.00 0.00 0.00 179.25 179.83 1shl h ARG 271 N 0.93 0.00 0.00 0.00 3.08 -0.90 -2.84 114.38 114.65 1shl h ARG 271 Ca 0.38 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.33 1shl h ARG 271 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1shl h ARG 271 CO -0.19 0.00 -0.50 0.45 -1.07 0.00 0.00 179.97 178.66 1shl h HIS 272 N 0.00 0.00 0.00 3.04 3.86 -1.26 -3.52 115.15 117.28 1shl h HIS 272 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1shl h HIS 272 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1shl h HIS 272 CO 0.00 0.50 0.00 1.19 0.86 0.00 0.00 177.93 180.48 1shl n PHE 273 N -3.81 0.00 0.00 2.45 3.01 -1.08 -5.16 117.46 112.87 1shl n PHE 273 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1shl n PHE 273 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1shl n PHE 273 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1shl n GLN 287 N 0.00 0.00 -3.72 -1.08 -0.06 -1.26 -5.10 117.38 106.16 1shl n GLN 287 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.88 1shl n GLN 287 Cb 0.00 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.08 1shl n GLN 287 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1shl s ILE 288 N 0.00 -0.01 0.85 1.69 1.10 -1.26 -4.73 121.20 118.84 1shl s ILE 288 Ca 0.00 0.03 -0.10 0.00 -0.51 0.00 0.00 60.65 60.07 1shl s ILE 288 Cb 0.00 -0.57 0.11 0.00 0.15 0.00 0.00 42.46 42.14 1shl s ILE 288 CO 0.00 0.01 1.11 -2.84 -2.11 0.00 0.00 174.94 171.12 1shl s PRO 289 N 0.60 1.58 0.50 3.50 0.02 -1.26 -4.78 135.00 135.15 1shl s PRO 289 Ca -0.03 1.31 0.02 0.00 0.02 0.00 0.00 61.00 62.31 1shl s PRO 289 Cb -0.05 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.65 1shl s PRO 289 CO -0.04 -2.17 0.02 0.00 -0.33 0.00 0.00 177.00 174.48 1shl s VAL 291 N -2.91 0.35 -0.27 0.00 1.01 -1.26 -2.74 120.40 114.58 1shl s VAL 291 Ca 0.09 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 1shl s VAL 291 Cb 0.02 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1shl s VAL 291 CO 0.05 0.23 0.16 -0.69 0.00 0.00 0.00 175.10 174.85 1shl s VAL 292 N 1.66 5.08 -0.12 2.92 1.01 -0.29 -4.99 120.40 125.68 1shl s VAL 292 Ca -0.00 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1shl s VAL 292 Cb -0.13 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1shl s VAL 292 CO -0.04 0.27 -0.18 -0.55 0.00 0.00 0.00 175.10 174.59 1shl s SER 293 N 1.73 2.73 -0.10 3.32 0.15 -1.26 -0.88 113.70 119.38 1shl s SER 293 Ca 0.07 -0.50 0.15 0.00 0.70 0.00 0.00 55.95 56.36 1shl s SER 293 Cb -0.16 -1.24 0.25 0.00 -1.71 0.00 0.00 66.02 63.15 1shl s SER 293 CO 0.09 0.05 1.14 0.23 1.20 0.00 0.00 173.24 175.96 1shl n MET 294 N 4.08 1.79 -1.81 5.44 2.81 -0.65 -5.05 117.12 123.73 1shl n MET 294 Ca -0.20 -2.36 -0.37 0.00 -1.81 0.00 0.00 57.70 52.96 1shl n MET 294 Cb 0.51 -1.41 0.05 0.00 -0.71 0.00 0.00 33.22 31.66 1shl n MET 294 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1shl s LEU 295 N -2.44 3.72 0.00 4.03 1.43 -1.23 -1.27 118.68 122.92 1shl s LEU 295 Ca 0.26 2.64 0.08 0.00 -1.03 0.00 0.00 54.13 56.08 1shl s LEU 295 Cb 0.22 -4.46 0.04 0.00 0.03 0.00 0.00 46.19 42.02 1shl s LEU 295 CO 0.03 -1.73 0.66 0.35 0.23 0.00 0.00 176.35 175.89 1shl n THR 296 N -1.44 0.00 -4.14 5.49 -2.24 -1.26 -4.83 114.28 105.86 1shl n THR 296 Ca 0.13 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1shl n THR 296 Cb 0.47 1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 69.76 1shl n THR 296 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1shl s LYS 297 N -0.84 1.51 0.31 -0.78 -0.14 -1.26 -5.02 119.74 113.52 1shl s LYS 297 Ca 0.08 -1.61 -0.23 0.00 -1.36 0.00 0.00 55.97 52.85 1shl s LYS 297 Cb 0.06 0.36 -0.10 0.00 -1.68 0.00 0.00 37.83 36.48 1shl s LYS 297 CO 0.13 -0.57 0.88 -1.21 -0.76 0.00 0.00 175.35 173.82 1shl s GLU 298 N -3.81 4.44 -0.21 1.68 2.02 -0.28 -4.77 118.70 117.77 1shl s GLU 298 Ca 0.33 1.16 -0.00 0.00 0.02 0.00 0.00 54.97 56.48 1shl s GLU 298 Cb 0.03 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.53 1shl s GLU 298 CO 0.15 0.28 -0.14 -1.17 0.02 0.00 0.00 175.26 174.39 1shl s LEU 299 N -2.18 2.56 -0.01 1.80 2.96 -1.26 -0.97 118.68 121.59 1shl s LEU 299 Ca 0.50 -0.72 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 1shl s LEU 299 Cb -0.17 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1shl s LEU 299 CO 0.22 -0.04 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.69 1shl s TYR 300 N 1.31 1.79 -0.19 5.38 2.02 -1.26 -0.70 117.35 125.70 1shl s TYR 300 Ca 0.03 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1shl s TYR 300 Cb -0.15 -1.14 0.23 0.00 -0.40 0.00 0.00 41.96 40.50 1shl s TYR 300 CO -0.09 -0.02 1.50 1.19 -1.57 0.00 0.00 175.55 176.56 1shl n PHE 301 N 2.50 1.16 -3.91 2.71 3.72 -1.25 -4.89 117.46 117.49 1shl n PHE 301 Ca -0.15 -1.18 -0.10 0.00 -0.05 0.00 0.00 57.45 55.96 1shl n PHE 301 Cb 0.53 -0.59 -0.01 0.00 -0.94 0.00 0.00 39.48 38.47 1shl n PHE 301 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1shl s SER 302 N 0.24 0.26 0.00 4.37 1.04 -1.26 -4.89 113.70 113.46 1shl s SER 302 Ca 0.22 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1shl s SER 302 Cb 0.18 0.76 0.00 0.00 0.10 0.00 0.00 66.02 67.07 1shl s SER 302 CO 0.03 -1.50 0.00 0.00 0.98 0.00 0.00 173.24 172.75