#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8i h GLY 42 N 0.00 0.48 -5.17 0.00 0.00 -1.97 -3.43 103.07 92.99 1x8i h GLY 42 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 1x8i h GLY 42 CO 0.00 0.17 -0.30 -0.29 0.00 0.00 0.00 176.54 176.12 1x8i s MET 43 N -5.42 0.45 0.13 4.80 -2.45 -1.26 -1.12 119.30 114.43 1x8i s MET 43 Ca -0.08 0.40 0.07 0.00 -1.25 0.00 0.00 55.69 54.82 1x8i s MET 43 Cb 0.18 0.22 -0.04 0.00 1.25 0.00 0.00 34.83 36.43 1x8i s MET 43 CO 0.72 -0.07 -0.15 -1.54 1.05 0.00 0.00 175.02 175.03 1x8i s SER 44 N -0.03 2.17 -0.10 1.11 1.04 -0.57 -4.99 113.70 112.33 1x8i s SER 44 Ca -0.02 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.57 1x8i s SER 44 Cb -0.03 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.04 1x8i s SER 44 CO 0.01 -0.11 0.04 -0.22 0.98 0.00 0.00 173.24 173.93 1x8i s LEU 45 N -2.49 0.53 -0.01 2.42 2.96 -1.26 -1.33 118.68 119.51 1x8i s LEU 45 Ca 0.10 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1x8i s LEU 45 Cb -0.05 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.28 1x8i s LEU 45 CO 0.04 -0.25 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.85 1x8i s THR 46 N 2.03 0.59 0.15 3.68 2.01 -0.44 -4.97 115.64 118.70 1x8i s THR 46 Ca 0.04 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.40 1x8i s THR 46 Cb -0.14 -0.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.79 1x8i s THR 46 CO -0.06 0.16 1.35 -1.58 -0.69 0.00 0.00 174.62 173.80 1x8i s GLN 47 N -0.20 4.35 -0.28 4.92 0.74 -1.26 -0.44 119.66 127.50 1x8i s GLN 47 Ca 0.03 2.06 -0.13 0.00 0.05 0.00 0.00 55.36 57.37 1x8i s GLN 47 Cb -0.03 -3.22 -0.12 0.00 1.10 0.00 0.00 33.01 30.73 1x8i s GLN 47 CO -0.00 -0.35 -0.35 1.55 -0.55 0.00 0.00 175.29 175.59 1x8i n VAL 48 N 3.31 1.53 -3.51 1.34 3.14 0.05 -4.88 118.33 119.31 1x8i n VAL 48 Ca 0.09 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1x8i n VAL 48 Cb 0.43 -1.84 -0.03 0.00 -1.06 0.00 0.00 33.84 31.33 1x8i n VAL 48 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1x8i s SER 49 N -7.43 -1.16 1.47 6.55 0.15 -0.93 -5.05 113.70 107.30 1x8i s SER 49 Ca -0.39 1.35 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1x8i s SER 49 Cb 0.14 2.22 0.00 0.00 -1.71 0.00 0.00 66.02 66.68 1x8i s SER 49 CO 0.50 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1x8i n GLY 50 N 5.42 3.76 0.08 9.45 0.00 -1.26 -1.15 105.19 121.48 1x8i n GLY 50 Ca -0.09 0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.26 1x8i n GLY 50 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x8i n PRO 51 N 14.00 1.06 -3.39 1.61 -0.04 -1.26 -4.78 135.00 142.21 1x8i n PRO 51 Ca 0.00 -0.15 -0.39 0.00 -0.04 0.00 0.00 63.50 62.91 1x8i n PRO 51 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 1x8i n PRO 51 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x8i s VAL 52 N -2.04 5.17 0.11 0.52 1.01 -0.30 -0.79 120.40 124.08 1x8i s VAL 52 Ca 0.45 0.50 0.10 0.00 0.00 0.00 0.00 61.98 63.03 1x8i s VAL 52 Cb 0.22 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1x8i s VAL 52 CO 0.37 0.12 -0.25 -0.31 0.00 0.00 0.00 175.10 175.03 1x8i s TYR 53 N 2.07 2.15 -0.13 5.22 1.51 0.08 -0.77 117.35 127.48 1x8i s TYR 53 Ca 0.15 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 1x8i s TYR 53 Cb -0.16 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1x8i s TYR 53 CO 0.10 0.28 -0.01 0.54 -1.11 0.00 0.00 175.55 175.35 1x8i s VAL 54 N -1.06 4.14 -0.23 0.71 0.11 0.42 -1.25 120.40 123.24 1x8i s VAL 54 Ca 0.11 -0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 58.76 1x8i s VAL 54 Cb -0.10 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.92 1x8i s VAL 54 CO 0.05 0.54 0.23 -0.69 -3.33 0.00 0.00 175.10 171.90 1x8i s VAL 55 N -0.19 5.31 -0.35 2.04 1.01 1.00 -1.32 120.40 127.90 1x8i s VAL 55 Ca 0.04 0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 1x8i s VAL 55 Cb -0.13 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1x8i s VAL 55 CO 0.02 0.32 0.15 -0.70 0.00 0.00 0.00 175.10 174.89 1x8i s GLU 56 N 1.14 2.80 -0.49 2.72 2.12 -0.44 -1.16 118.70 125.39 1x8i s GLU 56 Ca 0.11 -1.08 -0.12 0.00 0.36 0.00 0.00 54.97 54.24 1x8i s GLU 56 Cb -0.14 -3.58 0.11 0.00 0.26 0.00 0.00 34.13 30.78 1x8i s GLU 56 CO 0.05 -0.65 0.39 0.34 -0.54 0.00 0.00 175.26 174.86 1x8i s ASP 57 N 1.49 5.91 0.00 -1.70 2.15 0.15 -1.51 116.67 123.17 1x8i s ASP 57 Ca 0.01 -1.74 0.29 0.00 0.43 0.00 0.00 52.55 51.54 1x8i s ASP 57 Cb -0.19 -2.10 1.49 0.00 -0.30 0.00 0.00 42.92 41.83 1x8i s ASP 57 CO 0.05 -0.72 1.99 0.59 -0.17 0.00 0.00 175.17 176.91 1x8i n ASN 58 N 5.06 0.65 -4.77 -0.34 3.02 -0.28 -1.24 115.26 117.36 1x8i n ASN 58 Ca -0.11 -1.24 -0.37 0.00 -0.03 0.00 0.00 54.58 52.83 1x8i n ASN 58 Cb 0.41 -0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 1x8i n ASN 58 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1x8i s TYR 59 N -1.99 2.89 0.00 3.10 1.51 -1.25 -4.54 117.35 117.06 1x8i s TYR 59 Ca 0.43 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 58.01 1x8i s TYR 59 Cb 0.21 -3.41 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 1x8i s TYR 59 CO 0.35 -1.55 0.00 0.66 -1.11 0.00 0.00 175.55 173.90 1x8i n TYR 60 N -0.39 0.00 -3.01 2.71 4.01 -1.26 -3.79 117.16 115.43 1x8i n TYR 60 Ca 0.07 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.40 1x8i n TYR 60 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 1x8i n TYR 60 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1x8i s VAL 67 N 0.00 4.95 0.09 -0.72 1.01 -1.26 -4.99 120.40 119.48 1x8i s VAL 67 Ca 0.00 1.38 -0.36 0.00 0.00 0.00 0.00 61.98 63.00 1x8i s VAL 67 Cb 0.00 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 1x8i s VAL 67 CO 0.00 0.06 1.14 1.67 0.00 0.00 0.00 175.10 177.97 1x8i n GLN 68 N 5.25 0.69 -4.24 2.72 7.27 -1.25 -4.94 117.38 122.89 1x8i n GLN 68 Ca 0.01 0.25 -0.17 0.00 0.07 0.00 0.00 57.00 57.16 1x8i n GLN 68 Cb 0.49 -1.75 -0.14 0.00 2.41 0.00 0.00 30.24 31.25 1x8i n GLN 68 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1x8i s GLU 69 N -0.02 0.64 -0.06 3.69 4.04 -0.38 -4.43 118.70 122.18 1x8i s GLU 69 Ca 0.82 -0.47 0.03 0.00 0.04 0.00 0.00 54.97 55.39 1x8i s GLU 69 Cb -1.03 -0.58 -0.02 0.00 0.02 0.00 0.00 34.13 32.53 1x8i s GLU 69 CO 0.52 0.15 -0.16 -0.80 -1.84 0.00 0.00 175.26 173.13 1x8i s ASN 70 N -0.68 3.90 0.40 0.83 0.01 -0.27 -0.68 114.94 118.45 1x8i s ASN 70 Ca -0.00 -0.25 0.05 0.00 -0.71 0.00 0.00 52.86 51.94 1x8i s ASN 70 Cb -0.05 -0.93 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 1x8i s ASN 70 CO 0.00 0.31 0.18 -0.44 -1.51 0.00 0.00 177.10 175.65 1x8i s SER 71 N -0.52 2.55 0.17 -1.22 0.01 -0.31 -4.55 113.70 109.84 1x8i s SER 71 Ca 0.07 -1.74 0.09 0.00 1.31 0.00 0.00 55.95 55.67 1x8i s SER 71 Cb -0.12 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.66 1x8i s SER 71 CO 0.01 -1.01 -0.18 -0.04 0.41 0.00 0.00 173.24 172.43 1x8i s MET 72 N -3.59 1.29 -0.02 12.44 1.00 -0.33 -0.00 119.30 130.08 1x8i s MET 72 Ca 0.27 -1.43 0.01 0.00 0.00 0.00 0.00 55.69 54.55 1x8i s MET 72 Cb 0.02 -1.33 0.01 0.00 0.00 0.00 0.00 34.83 33.52 1x8i s MET 72 CO 0.19 0.27 -0.05 0.08 0.00 0.00 0.00 175.02 175.51 1x8i s VAL 73 N -2.13 0.44 -0.20 -6.03 1.01 -0.38 -0.44 120.40 112.67 1x8i s VAL 73 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1x8i s VAL 73 Cb -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.93 1x8i s VAL 73 CO 0.07 0.16 -0.15 -0.47 0.00 0.00 0.00 175.10 174.71 1x8i s TYR 74 N 0.34 2.89 -0.59 5.22 6.14 -0.00 -0.74 117.35 130.61 1x8i s TYR 74 Ca -0.04 -1.60 -0.20 0.00 0.64 0.00 0.00 57.07 55.87 1x8i s TYR 74 Cb -0.08 -1.97 0.08 0.00 0.42 0.00 0.00 41.96 40.42 1x8i s TYR 74 CO -0.00 -0.77 0.78 -0.06 0.64 0.00 0.00 175.55 176.14 1x8i s PHE 75 N 1.30 2.90 0.68 4.97 0.08 0.03 -1.51 117.98 126.43 1x8i s PHE 75 Ca 0.03 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.40 1x8i s PHE 75 Cb -0.14 -4.01 0.11 0.00 -0.57 0.00 0.00 43.02 38.41 1x8i s PHE 75 CO -0.10 -1.35 0.93 0.20 -0.10 0.00 0.00 175.22 174.81 1x8i s GLY 76 N 3.42 1.76 0.21 4.36 0.00 -0.17 -4.75 107.32 112.15 1x8i s GLY 76 Ca 0.16 -1.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.03 1x8i s GLY 76 CO 0.09 -1.30 1.54 0.00 0.00 0.00 0.00 173.10 173.43 1x8i h ALA 77 N -0.33 0.77 0.00 3.20 0.00 -1.98 -3.25 119.26 117.67 1x8i h ALA 77 Ca -0.35 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1x8i h ALA 77 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1x8i h ALA 77 CO 0.40 0.68 -1.71 1.63 0.00 0.00 0.00 179.25 180.25 1x8i n LYS 78 N -3.97 0.56 -3.34 0.00 5.02 -1.26 -5.08 118.16 110.10 1x8i n LYS 78 Ca -0.03 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1x8i n LYS 78 Cb 0.58 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 1x8i n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x8i n GLY 79 N 1.36 -1.49 3.64 0.72 0.00 -1.23 -4.35 105.19 103.84 1x8i n GLY 79 Ca -0.02 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 1x8i n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x8i s VAL 80 N -2.53 4.25 -0.16 1.61 1.01 0.27 -1.00 120.40 123.84 1x8i s VAL 80 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1x8i s VAL 80 Cb 0.00 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 1x8i s VAL 80 CO 0.00 0.57 -0.05 -0.89 0.00 0.00 0.00 175.10 174.72 1x8i s THR 81 N -0.49 3.63 -0.15 3.92 2.01 -0.57 -0.93 115.64 123.05 1x8i s THR 81 Ca 0.09 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1x8i s THR 81 Cb -0.12 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1x8i s THR 81 CO 0.02 0.48 0.05 -0.69 -0.69 0.00 0.00 174.62 173.80 1x8i s VAL 82 N 0.61 4.74 -0.40 3.82 1.01 -0.30 -0.82 120.40 129.05 1x8i s VAL 82 Ca -0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 1x8i s VAL 82 Cb -0.15 -3.09 0.09 0.00 0.00 0.00 0.00 36.38 33.23 1x8i s VAL 82 CO 0.03 0.51 0.20 -0.69 0.00 0.00 0.00 175.10 175.15 1x8i s VAL 83 N -0.08 3.67 0.00 2.92 1.01 0.42 -0.71 120.40 127.63 1x8i s VAL 83 Ca 0.06 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1x8i s VAL 83 Cb -0.12 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1x8i s VAL 83 CO 0.01 -0.52 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1x8i n GLY 84 N 4.75 1.31 0.07 4.51 0.00 0.28 -1.19 105.19 114.91 1x8i n GLY 84 Ca -0.08 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.86 1x8i n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8i n ALA 85 N 2.94 2.68 -0.75 4.61 0.00 -0.22 -4.77 120.51 125.00 1x8i n ALA 85 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 53.44 53.32 1x8i n ALA 85 Cb 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1x8i n ALA 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x8i n THR 86 N -1.11 0.00 -0.16 0.00 -2.24 -1.25 -3.48 114.28 106.04 1x8i n THR 86 Ca 0.14 0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1x8i n THR 86 Cb 0.27 -0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.09 1x8i n THR 86 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1x8i h TRP 87 N -0.71 0.72 -4.36 4.78 -0.00 -1.75 -0.32 115.95 114.32 1x8i h TRP 87 Ca -0.02 -0.05 -0.22 0.00 -0.00 0.00 0.00 58.89 58.60 1x8i h TRP 87 Cb 0.70 -0.21 -0.13 0.00 -0.00 0.00 0.00 29.16 29.51 1x8i h TRP 87 CO -0.66 0.61 -0.46 0.95 -0.00 0.00 0.00 178.44 178.88 1x8i s THR 88 N -5.55 0.00 0.32 1.49 -4.23 -1.26 -4.09 115.64 102.32 1x8i s THR 88 Ca -0.13 -1.83 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1x8i s THR 88 Cb 0.11 -2.44 0.30 0.00 1.34 0.00 0.00 72.50 71.81 1x8i s THR 88 CO 0.77 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 176.08 1x8i h PRO 89 N 2.46 0.84 -0.41 3.99 0.11 -1.78 -0.31 132.00 136.90 1x8i h PRO 89 Ca -0.32 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 1x8i h PRO 89 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1x8i h PRO 89 CO 0.46 0.56 -0.23 -0.44 -0.21 0.00 0.00 178.00 178.14 1x8i h ASP 90 N 0.87 0.92 0.11 -2.05 3.32 -1.94 -0.87 116.42 116.78 1x8i h ASP 90 Ca 0.43 -0.41 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1x8i h ASP 90 Cb 0.47 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1x8i h ASP 90 CO -0.19 1.13 -0.35 0.71 -1.72 0.00 0.00 179.24 178.82 1x8i h THR 91 N 0.71 1.29 -0.62 0.35 1.35 -1.84 -1.59 112.91 112.56 1x8i h THR 91 Ca 0.09 -1.41 -0.04 0.00 -0.55 0.00 0.00 66.41 64.50 1x8i h THR 91 Cb 0.80 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.74 1x8i h THR 91 CO 0.07 0.43 0.22 0.00 -0.25 0.00 0.00 175.52 175.99 1x8i h ALA 92 N 1.34 0.81 -0.72 6.62 0.00 -0.89 -0.82 119.26 125.61 1x8i h ALA 92 Ca 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1x8i h ALA 92 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1x8i h ALA 92 CO 0.06 0.45 0.26 -0.09 0.00 0.00 0.00 179.25 179.93 1x8i h ARG 93 N 0.88 1.08 -0.61 0.00 2.43 -0.84 0.13 114.38 117.45 1x8i h ARG 93 Ca 0.20 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1x8i h ARG 93 Cb 0.24 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1x8i h ARG 93 CO -0.01 0.90 0.33 0.93 -1.51 0.00 0.00 179.97 180.60 1x8i h GLU 94 N 1.05 0.86 -0.56 0.20 4.39 -0.81 -1.90 114.58 117.81 1x8i h GLU 94 Ca 0.24 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1x8i h GLU 94 Cb 0.24 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1x8i h GLU 94 CO -0.02 0.66 0.32 1.25 -1.16 0.00 0.00 179.01 180.07 1x8i h LEU 95 N 0.83 0.68 -1.08 1.33 5.85 -0.74 -2.84 115.31 119.34 1x8i h LEU 95 Ca 0.21 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.94 1x8i h LEU 95 Cb 0.06 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 1x8i h LEU 95 CO -0.03 0.56 0.62 -0.74 -0.34 0.00 0.00 178.44 178.51 1x8i h HIS 96 N 0.75 1.12 -0.79 1.25 2.76 -0.47 -1.09 115.15 118.68 1x8i h HIS 96 Ca 0.20 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1x8i h HIS 96 Cb 0.01 -0.36 -0.04 0.00 1.55 0.00 0.00 27.41 28.57 1x8i h HIS 96 CO -0.02 0.55 0.47 0.87 -1.30 0.00 0.00 177.93 178.50 1x8i h LYS 97 N 1.07 1.08 -0.48 5.26 1.57 -1.14 -1.12 116.57 122.82 1x8i h LYS 97 Ca 0.43 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1x8i h LYS 97 Cb 0.25 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1x8i h LYS 97 CO -0.18 0.77 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.21 1x8i h LEU 98 N 1.08 0.97 -0.42 2.94 3.38 -1.09 -3.05 115.31 119.13 1x8i h LEU 98 Ca 0.28 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1x8i h LEU 98 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1x8i h LEU 98 CO -0.05 1.13 0.27 0.40 0.09 0.00 0.00 178.44 180.28 1x8i h ILE 99 N 0.83 1.09 0.00 1.22 2.04 -0.66 -2.01 117.51 120.03 1x8i h ILE 99 Ca 0.11 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1x8i h ILE 99 Cb 0.76 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1x8i h ILE 99 CO 0.06 0.10 -0.03 0.11 0.00 0.00 0.00 178.15 178.39 1x8i h LYS 100 N 0.55 0.00 0.00 2.37 1.57 -1.19 -0.03 116.57 119.83 1x8i h LYS 100 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1x8i h LYS 100 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1x8i h LYS 100 CO -0.05 0.03 0.00 0.54 -0.57 0.00 0.00 179.45 179.40 1x8i n ARG 102 N -3.24 0.15 -0.13 3.15 1.74 -0.76 -4.02 116.66 113.56 1x8i n ARG 102 Ca -0.02 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.04 1x8i n ARG 102 Cb 0.19 -1.69 -0.11 0.00 -1.02 0.00 0.00 32.46 29.82 1x8i n ARG 102 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1x8i n VAL 103 N -1.96 1.46 -3.80 1.55 0.31 -0.19 -5.04 118.33 110.66 1x8i n VAL 103 Ca 0.06 -0.53 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 1x8i n VAL 103 Cb 0.36 -1.47 -0.10 0.00 -0.91 0.00 0.00 33.84 31.72 1x8i n VAL 103 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1x8i s SER 104 N -6.61 -0.18 0.00 4.52 0.15 -0.23 -5.02 113.70 106.33 1x8i s SER 104 Ca -0.35 0.21 0.28 0.00 0.70 0.00 0.00 55.95 56.79 1x8i s SER 104 Cb 0.10 0.39 1.01 0.00 -1.71 0.00 0.00 66.02 65.80 1x8i s SER 104 CO 0.57 -0.27 1.73 0.54 1.20 0.00 0.00 173.24 177.01 1x8i n ARG 105 N 2.06 0.62 -2.56 5.44 1.74 -1.26 -4.15 116.66 118.54 1x8i n ARG 105 Ca -0.18 -0.27 -0.38 0.00 -0.77 0.00 0.00 57.85 56.25 1x8i n ARG 105 Cb 0.57 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 1x8i n ARG 105 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x8i s LYS 106 N -2.57 4.35 0.68 5.56 -0.14 -1.26 -4.98 119.74 121.38 1x8i s LYS 106 Ca 0.25 1.56 -0.17 0.00 -1.36 0.00 0.00 55.97 56.24 1x8i s LYS 106 Cb 0.19 -2.75 -0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1x8i s LYS 106 CO 0.52 0.01 1.11 -0.35 -0.76 0.00 0.00 175.35 175.88 1x8i n PRO 108 N 0.35 0.77 -2.55 -1.68 -0.04 -1.26 -4.60 135.00 125.98 1x8i n PRO 108 Ca 0.03 0.32 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 1x8i n PRO 108 Cb 0.48 -2.35 -0.02 0.00 -0.04 0.00 0.00 33.50 31.57 1x8i n PRO 108 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x8i s VAL 109 N -1.63 4.21 -0.04 0.52 1.01 -1.26 -0.57 120.40 122.65 1x8i s VAL 109 Ca 0.78 1.29 -0.13 0.00 0.00 0.00 0.00 61.98 63.92 1x8i s VAL 109 Cb -0.37 -4.47 -0.32 0.00 0.00 0.00 0.00 36.38 31.23 1x8i s VAL 109 CO 0.46 -0.82 0.73 -0.07 0.00 0.00 0.00 175.10 175.40 1x8i h LEU 110 N 11.11 0.65 -7.00 3.92 3.38 -1.38 -3.36 115.31 122.63 1x8i h LEU 110 Ca -0.23 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 56.79 1x8i h LEU 110 Cb 1.07 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.45 1x8i h LEU 110 CO 1.09 1.76 0.25 -1.83 0.09 0.00 0.00 178.44 179.81 1x8i s GLU 111 N -2.57 1.10 -0.05 1.13 1.03 -1.22 -1.20 118.70 116.91 1x8i s GLU 111 Ca -0.15 -0.11 0.02 0.00 0.03 0.00 0.00 54.97 54.77 1x8i s GLU 111 Cb 0.05 0.51 0.01 0.00 -0.80 0.00 0.00 34.13 33.90 1x8i s GLU 111 CO 0.87 -0.42 -0.11 0.08 -1.33 0.00 0.00 175.26 174.35 1x8i s VAL 112 N -2.45 1.00 -0.18 1.83 1.01 0.11 -1.15 120.40 120.57 1x8i s VAL 112 Ca -0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1x8i s VAL 112 Cb -0.01 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1x8i s VAL 112 CO -0.02 0.31 0.21 -0.63 0.00 0.00 0.00 175.10 174.98 1x8i s ILE 113 N 0.47 5.36 -0.50 2.22 1.01 0.11 -0.75 121.20 129.12 1x8i s ILE 113 Ca -0.09 0.37 -0.21 0.00 0.00 0.00 0.00 60.65 60.72 1x8i s ILE 113 Cb -0.13 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1x8i s ILE 113 CO 0.02 0.41 0.71 0.20 0.00 0.00 0.00 174.94 176.28 1x8i s ASN 114 N 0.43 6.28 0.29 3.58 0.02 -0.23 -0.56 114.94 124.75 1x8i s ASN 114 Ca 0.12 -0.63 0.26 0.00 -1.02 0.00 0.00 52.86 51.59 1x8i s ASN 114 Cb -0.12 -2.33 0.84 0.00 0.02 0.00 0.00 41.25 39.66 1x8i s ASN 114 CO 0.01 -0.95 1.75 0.71 0.02 0.00 0.00 177.10 178.64 1x8i h THR 115 N 5.91 0.00 -3.11 1.60 1.35 -1.87 -3.43 112.91 113.35 1x8i h THR 115 Ca -0.27 -0.48 -0.14 0.00 -0.55 0.00 0.00 66.41 64.97 1x8i h THR 115 Cb 1.09 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 68.89 1x8i h THR 115 CO 0.98 0.00 -0.03 -0.46 -0.25 0.00 0.00 175.52 175.76 1x8i n ASN 116 N -2.45 -0.99 -0.57 5.36 0.23 -1.26 -1.53 115.26 114.06 1x8i n ASN 116 Ca 0.04 -2.14 0.13 0.00 -0.53 0.00 0.00 54.58 52.07 1x8i n ASN 116 Cb 0.38 1.78 0.43 0.00 -2.08 0.00 0.00 39.78 40.29 1x8i n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x8i n TYR 117 N -0.36 0.10 -1.85 -2.53 4.11 -1.26 -4.51 117.16 110.86 1x8i n TYR 117 Ca -0.01 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.90 57.55 1x8i n TYR 117 Cb 0.37 0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.79 1x8i n TYR 117 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 1x8i s HIS 118 N -1.90 3.04 0.31 -3.48 3.76 -1.26 -4.77 115.29 110.98 1x8i s HIS 118 Ca 0.35 0.88 0.01 0.00 -0.15 0.00 0.00 55.06 56.14 1x8i s HIS 118 Cb 0.20 -3.33 0.50 0.00 1.11 0.00 0.00 32.58 31.06 1x8i s HIS 118 CO 0.31 -1.62 1.89 1.79 -0.85 0.00 0.00 174.74 176.26 1x8i h THR 119 N -0.95 1.20 0.00 1.30 1.35 -1.92 -0.20 112.91 113.69 1x8i h THR 119 Ca -0.46 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1x8i h THR 119 Cb 1.30 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1x8i h THR 119 CO 0.65 0.25 0.00 -2.24 -0.25 0.00 0.00 175.52 173.93 1x8i h ASP 120 N 0.78 0.00 0.00 5.36 2.03 -1.85 -0.10 116.42 122.64 1x8i h ASP 120 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1x8i h ASP 120 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1x8i h ASP 120 CO -0.02 0.00 -1.05 0.54 -1.03 0.00 0.00 179.24 177.68 1x8i n ARG 121 N -2.73 1.67 0.00 4.15 5.12 -1.01 -3.80 116.66 120.05 1x8i n ARG 121 Ca 0.03 -0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1x8i n ARG 121 Cb 0.38 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 1x8i n ARG 121 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x8i n ALA 122 N -1.59 1.24 0.08 7.54 0.00 -0.12 -1.05 120.51 126.60 1x8i n ALA 122 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.28 1x8i n ALA 122 Cb 0.27 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.17 1x8i n ALA 122 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1x8i h GLY 123 N 0.00 0.39 1.55 0.00 0.00 -0.69 -2.14 103.07 102.19 1x8i h GLY 123 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1x8i h GLY 123 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.32 1x8i n GLY 124 N -1.31 -0.81 0.37 4.60 0.00 -0.16 -3.22 105.19 104.66 1x8i n GLY 124 Ca 0.01 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1x8i n GLY 124 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x8i h ASN 125 N 0.00 0.94 -0.91 1.61 2.35 -1.65 -1.01 115.58 116.91 1x8i h ASN 125 Ca 0.00 0.03 0.15 0.00 -0.55 0.00 0.00 56.30 55.93 1x8i h ASN 125 Cb 0.15 -0.16 -0.09 0.00 0.05 0.00 0.00 38.32 38.26 1x8i h ASN 125 CO 0.00 0.54 0.51 0.00 -1.65 0.00 0.00 177.43 176.84 1x8i h ALA 126 N 1.52 1.40 -0.07 -0.83 0.00 -1.85 -0.70 119.26 118.73 1x8i h ALA 126 Ca 0.46 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.38 1x8i h ALA 126 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1x8i h ALA 126 CO -0.22 -0.01 -0.17 -0.92 0.00 0.00 0.00 179.25 177.93 1x8i h TYR 127 N 0.73 0.31 -0.79 0.00 3.20 -1.49 -1.86 116.97 117.07 1x8i h TYR 127 Ca 0.49 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 1x8i h TYR 127 Cb 0.66 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1x8i h TYR 127 CO -0.05 0.78 0.42 -1.49 -1.64 0.00 0.00 178.16 176.17 1x8i h TRP 128 N -0.24 1.10 -0.76 -3.82 4.06 -1.19 -1.74 115.95 113.35 1x8i h TRP 128 Ca -0.00 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.87 1x8i h TRP 128 Cb 0.77 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.55 1x8i h TRP 128 CO 0.12 0.78 0.30 0.87 -3.56 0.00 0.00 178.44 176.94 1x8i h LYS 129 N 1.10 1.14 -0.44 0.49 1.57 -1.17 -1.63 116.57 117.63 1x8i h LYS 129 Ca 0.28 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1x8i h LYS 129 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1x8i h LYS 129 CO -0.04 0.93 0.29 0.77 -0.57 0.00 0.00 179.45 180.83 1x8i h SER 130 N 1.10 0.49 -0.50 0.86 0.02 -0.48 0.06 113.55 115.10 1x8i h SER 130 Ca 0.25 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1x8i h SER 130 Cb 0.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1x8i h SER 130 CO -0.02 0.35 0.00 2.30 -1.14 0.00 0.00 176.83 178.32 1x8i n ILE 131 N -4.47 0.91 -0.49 3.27 -5.35 -0.86 -4.94 119.36 107.43 1x8i n ILE 131 Ca 0.04 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.78 1x8i n ILE 131 Cb 0.07 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 1x8i n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x8i n GLY 133 N 1.17 0.75 3.77 3.28 0.00 0.01 -4.99 105.19 109.17 1x8i n GLY 133 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1x8i n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8i s ALA 134 N -2.76 3.25 0.41 4.61 0.00 -0.64 -4.95 121.76 121.68 1x8i s ALA 134 Ca 0.00 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 1x8i s ALA 134 Cb 0.00 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 1x8i s ALA 134 CO 0.00 0.10 1.12 0.15 0.00 0.00 0.00 175.76 177.12 1x8i s LYS 135 N -1.82 4.06 -0.21 0.00 1.02 -0.34 -4.05 119.74 118.40 1x8i s LYS 135 Ca 0.48 1.69 -0.05 0.00 0.02 0.00 0.00 55.97 58.12 1x8i s LYS 135 Cb -0.22 -2.59 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1x8i s LYS 135 CO 0.28 -0.28 -0.01 0.08 -0.92 0.00 0.00 175.35 174.51 1x8i s VAL 136 N -1.53 3.85 -0.06 3.17 1.01 -1.26 -0.71 120.40 124.87 1x8i s VAL 136 Ca 0.58 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.27 1x8i s VAL 136 Cb -0.27 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 1x8i s VAL 136 CO 0.33 0.42 -0.24 -0.69 0.00 0.00 0.00 175.10 174.93 1x8i s VAL 137 N 1.13 1.96 0.31 2.92 1.01 0.08 -1.13 120.40 126.68 1x8i s VAL 137 Ca 0.02 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1x8i s VAL 137 Cb -0.14 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1x8i s VAL 137 CO 0.01 0.54 0.67 -0.94 0.00 0.00 0.00 175.10 175.39 1x8i s SER 138 N -0.04 -0.02 0.75 3.32 1.04 -0.54 -1.07 113.70 117.14 1x8i s SER 138 Ca -0.06 -0.94 -0.11 0.00 0.48 0.00 0.00 55.95 55.32 1x8i s SER 138 Cb -0.14 0.74 0.04 0.00 0.10 0.00 0.00 66.02 66.76 1x8i s SER 138 CO 0.04 -1.42 1.08 0.42 0.98 0.00 0.00 173.24 174.35 1x8i s THR 139 N -3.33 3.55 0.22 2.02 -4.23 -1.26 -0.55 115.64 112.06 1x8i s THR 139 Ca 0.17 0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1x8i s THR 139 Cb -0.04 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.84 1x8i s THR 139 CO 0.10 -0.66 1.85 -0.09 -0.54 0.00 0.00 174.62 175.28 1x8i h ARG 140 N -0.98 0.86 -0.60 3.99 9.65 -1.22 -1.82 114.38 124.26 1x8i h ARG 140 Ca -0.44 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.39 1x8i h ARG 140 Cb 1.23 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.58 1x8i h ARG 140 CO 0.55 0.57 0.39 0.37 2.80 0.00 0.00 179.97 184.65 1x8i h GLN 141 N 0.89 0.77 -0.64 0.20 4.15 -1.94 -0.54 115.11 118.01 1x8i h GLN 141 Ca 0.31 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1x8i h GLN 141 Cb 0.08 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1x8i h GLN 141 CO -0.14 0.51 0.25 1.15 -1.93 0.00 0.00 178.83 178.68 1x8i h THR 142 N 0.80 1.24 -0.56 2.39 2.02 -1.80 -1.62 112.91 115.38 1x8i h THR 142 Ca 0.22 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.59 1x8i h THR 142 Cb -0.08 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1x8i h THR 142 CO -0.05 0.29 0.11 -0.09 0.37 0.00 0.00 175.52 176.15 1x8i h ARG 143 N 0.90 0.92 -0.29 6.66 1.12 -0.94 0.36 114.38 123.12 1x8i h ARG 143 Ca 0.21 -0.24 -0.11 0.00 -1.11 0.00 0.00 59.98 58.73 1x8i h ARG 143 Cb 0.21 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 1x8i h ARG 143 CO -0.02 0.88 -0.24 -0.44 -3.11 0.00 0.00 179.97 177.04 1x8i h ASP 144 N 0.82 0.73 -0.74 -3.80 3.32 -0.96 -1.58 116.42 114.21 1x8i h ASP 144 Ca 0.17 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1x8i h ASP 144 Cb 0.39 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1x8i h ASP 144 CO 0.01 1.03 0.35 -0.07 -1.72 0.00 0.00 179.24 178.83 1x8i h LEU 145 N 0.43 0.99 -0.62 1.55 3.38 -1.20 -2.57 115.31 117.27 1x8i h LEU 145 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1x8i h LEU 145 Cb 0.80 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1x8i h LEU 145 CO 0.06 0.84 0.37 -0.03 0.09 0.00 0.00 178.44 179.78 1x8i h MET 146 N 1.07 0.85 -0.43 1.13 4.05 -0.68 0.29 114.93 121.21 1x8i h MET 146 Ca 0.26 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.61 1x8i h MET 146 Cb 0.13 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 1x8i h MET 146 CO -0.03 0.61 0.28 -0.22 0.23 0.00 0.00 176.91 177.78 1x8i h LYS 147 N 0.84 0.55 0.07 0.39 1.63 -1.04 -1.19 116.57 117.82 1x8i h LYS 147 Ca 0.22 -0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 59.71 1x8i h LYS 147 Cb -0.02 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 1x8i h LYS 147 CO -0.04 0.36 -1.41 0.66 -3.45 0.00 0.00 179.45 175.57 1x8i h SER 148 N 0.57 0.23 -0.10 4.20 4.64 -1.30 -3.39 113.55 118.40 1x8i h SER 148 Ca 0.16 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1x8i h SER 148 Cb -0.05 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1x8i h SER 148 CO -0.05 1.26 0.00 0.47 -0.87 0.00 0.00 176.83 177.64 1x8i n ASP 149 N -3.36 2.04 0.01 4.97 9.92 1.00 -4.71 116.55 126.41 1x8i n ASP 149 Ca -0.12 -1.72 -0.11 0.00 -0.53 0.00 0.00 54.79 52.31 1x8i n ASP 149 Cb 1.02 -0.06 -0.05 0.00 -0.64 0.00 0.00 41.12 41.38 1x8i n ASP 149 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 1x8i h TRP 150 N 0.85 0.03 -0.95 1.24 2.91 -1.34 -1.71 115.95 116.98 1x8i h TRP 150 Ca 0.00 0.00 0.12 0.00 1.13 0.00 0.00 58.89 60.15 1x8i h TRP 150 Cb 0.46 -0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 29.02 1x8i h TRP 150 CO 0.06 0.01 0.58 0.00 -1.03 0.00 0.00 178.44 178.06 1x8i h ALA 151 N 1.06 1.43 -0.28 2.65 0.00 -1.84 -1.17 119.26 121.10 1x8i h ALA 151 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1x8i h ALA 151 Cb 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1x8i h ALA 151 CO -0.05 0.14 -0.00 1.49 0.00 0.00 0.00 179.25 180.84 1x8i h GLU 152 N 0.90 0.49 -0.28 0.00 4.81 -1.70 -1.32 114.58 117.47 1x8i h GLU 152 Ca 0.48 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.44 1x8i h GLU 152 Cb 0.51 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1x8i h GLU 152 CO -0.28 0.65 -0.30 0.97 -0.73 0.00 0.00 179.01 179.32 1x8i h ILE 153 N 0.28 1.28 -0.28 2.32 6.09 -0.96 -0.33 117.51 125.91 1x8i h ILE 153 Ca 0.08 -1.39 -0.01 0.00 -1.37 0.00 0.00 64.86 62.17 1x8i h ILE 153 Cb 0.43 1.38 -0.01 0.00 0.47 0.00 0.00 36.82 39.09 1x8i h ILE 153 CO 0.01 0.45 0.14 0.58 -3.07 0.00 0.00 178.15 176.26 1x8i h VAL 154 N 0.51 1.14 -0.67 2.19 2.07 -1.17 0.13 116.25 120.46 1x8i h VAL 154 Ca 0.06 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1x8i h VAL 154 Cb 0.77 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1x8i h VAL 154 CO 0.06 0.14 0.20 0.00 0.02 0.00 0.00 177.57 177.99 1x8i h ALA 155 N 1.00 0.88 -0.64 1.67 0.00 -1.11 -1.39 119.26 119.67 1x8i h ALA 155 Ca 0.10 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1x8i h ALA 155 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1x8i h ALA 155 CO -0.01 0.56 0.11 0.35 0.00 0.00 0.00 179.25 180.26 1x8i h PHE 156 N 0.98 1.09 -0.65 0.00 3.57 -0.86 -1.92 116.94 119.16 1x8i h PHE 156 Ca 0.21 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1x8i h PHE 156 Cb 0.31 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1x8i h PHE 156 CO 0.02 0.92 0.14 1.15 -2.23 0.00 0.00 178.31 178.31 1x8i h THR 157 N 0.98 1.26 0.00 4.41 2.02 -0.40 -2.74 112.91 118.44 1x8i h THR 157 Ca 0.20 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 1x8i h THR 157 Cb 0.41 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1x8i h THR 157 CO 0.01 0.37 -0.05 0.03 0.37 0.00 0.00 175.52 176.24 1x8i h ARG 158 N 0.98 0.00 -0.34 6.66 3.08 -0.94 -0.45 114.38 123.37 1x8i h ARG 158 Ca 0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1x8i h ARG 158 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1x8i h ARG 158 CO 0.01 0.05 0.21 -0.22 -1.07 0.00 0.00 179.97 178.95 1x8i h LYS 159 N 0.00 0.46 0.00 0.04 3.64 -1.03 -2.16 116.57 117.52 1x8i h LYS 159 Ca -0.00 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1x8i h LYS 159 Cb 0.66 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1x8i h LYS 159 CO 0.01 0.35 -0.97 0.78 -2.27 0.00 0.00 179.45 177.34 1x8i h GLY 160 N 0.44 0.00 -6.19 5.01 0.00 -1.55 -3.40 103.07 97.39 1x8i h GLY 160 Ca 0.12 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 1x8i h GLY 160 CO -0.02 0.00 -0.89 1.04 0.00 0.00 0.00 176.54 176.67 1x8i n LEU 161 N -3.05 1.43 0.15 3.11 4.77 -0.20 -4.98 117.00 118.23 1x8i n LEU 161 Ca -0.04 -4.93 0.16 0.00 -0.03 0.00 0.00 56.01 51.18 1x8i n LEU 161 Cb 0.78 0.11 0.74 0.00 -2.33 0.00 0.00 43.42 42.73 1x8i n LEU 161 CO 0.42 2.02 1.14 1.55 -1.33 0.00 0.00 177.39 181.19 1x8i h PRO 162 N 4.36 0.00 0.00 3.23 0.13 -1.62 -0.75 132.00 137.36 1x8i h PRO 162 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1x8i h PRO 162 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1x8i h PRO 162 CO 0.59 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.41 1x8i h GLU 163 N 0.00 0.00 -6.68 0.86 9.09 -1.94 -3.44 114.58 112.47 1x8i h GLU 163 Ca 0.12 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.01 1x8i h GLU 163 Cb 0.56 0.00 0.05 0.00 -1.65 0.00 0.00 28.75 27.70 1x8i h GLU 163 CO -0.00 0.00 0.78 -0.47 0.05 0.00 0.00 179.01 179.36 1x8i s TYR 164 N -3.78 3.08 0.51 2.06 5.04 -0.29 -4.98 117.35 119.00 1x8i s TYR 164 Ca -0.01 0.94 -0.21 0.00 -2.44 0.00 0.00 57.07 55.35 1x8i s TYR 164 Cb 0.10 -3.81 -0.06 0.00 0.35 0.00 0.00 41.96 38.54 1x8i s TYR 164 CO 0.45 -2.75 1.15 -1.25 -1.34 0.00 0.00 175.55 171.81 1x8i s PRO 165 N 0.21 3.49 -1.27 4.97 0.04 -1.26 -4.90 135.00 136.28 1x8i s PRO 165 Ca 0.62 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 63.16 1x8i s PRO 165 Cb -0.41 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.00 1x8i s PRO 165 CO 0.38 -0.76 1.86 -3.47 0.04 0.00 0.00 177.00 175.06 1x8i n ASP 166 N -1.01 4.27 -4.71 6.66 2.03 -1.26 -4.97 116.55 117.56 1x8i n ASP 166 Ca 0.10 -2.85 -0.42 0.00 0.52 0.00 0.00 54.79 52.14 1x8i n ASP 166 Cb 0.50 -1.70 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 1x8i n ASP 166 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x8i s LEU 167 N 5.17 4.37 0.67 -2.67 1.43 -1.26 -5.02 118.68 121.37 1x8i s LEU 167 Ca 0.56 1.90 -0.16 0.00 -1.03 0.00 0.00 54.13 55.40 1x8i s LEU 167 Cb 0.05 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1x8i s LEU 167 CO 0.07 -0.40 1.20 -2.16 0.23 0.00 0.00 176.35 175.28 1x8i s PRO 168 N 1.05 2.55 0.20 1.29 0.04 -1.26 -4.95 135.00 133.92 1x8i s PRO 168 Ca 0.57 1.74 -0.32 0.00 0.04 0.00 0.00 61.00 63.03 1x8i s PRO 168 Cb -0.27 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 1x8i s PRO 168 CO 0.29 -1.52 1.71 -1.17 0.04 0.00 0.00 177.00 176.34 1x8i s LEU 169 N -4.70 4.37 -0.25 -3.56 2.96 -1.26 -4.99 118.68 111.25 1x8i s LEU 169 Ca 0.75 2.84 -0.03 0.00 -0.22 0.00 0.00 54.13 57.47 1x8i s LEU 169 Cb -0.29 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 42.89 1x8i s LEU 169 CO 0.40 -0.96 0.08 -0.69 -1.32 0.00 0.00 176.35 173.86 1x8i s VAL 170 N 1.17 0.48 0.43 1.68 1.01 -1.26 -5.08 120.40 118.82 1x8i s VAL 170 Ca 0.74 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1x8i s VAL 170 Cb -0.49 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 1x8i s VAL 170 CO 0.32 -0.48 0.85 -0.76 0.00 0.00 0.00 175.10 175.03 1x8i s LEU 171 N 1.85 3.83 0.30 3.92 1.43 -1.26 -4.90 118.68 123.85 1x8i s LEU 171 Ca 0.05 1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 54.23 1x8i s LEU 171 Cb -0.17 -4.24 -0.13 0.00 0.03 0.00 0.00 46.19 41.68 1x8i s LEU 171 CO -0.20 -0.41 1.19 -2.65 0.23 0.00 0.00 176.35 174.51 1x8i n PRO 172 N -1.12 1.78 0.00 1.29 -0.02 -1.26 -4.92 135.00 130.75 1x8i n PRO 172 Ca 0.04 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1x8i n PRO 172 Cb 0.54 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.93 1x8i n PRO 172 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1x8i n ASN 173 N 1.15 2.18 -3.93 2.55 0.23 -0.29 -4.86 115.26 112.29 1x8i n ASN 173 Ca 0.08 -1.59 -0.29 0.00 -0.53 0.00 0.00 54.58 52.25 1x8i n ASN 173 Cb 0.33 0.23 -0.16 0.00 -2.08 0.00 0.00 39.78 38.10 1x8i n ASN 173 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1x8i s VAL 174 N -1.82 1.30 -0.09 3.53 1.01 -0.51 -4.95 120.40 118.87 1x8i s VAL 174 Ca 0.19 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1x8i s VAL 174 Cb 0.15 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1x8i s VAL 174 CO 0.34 0.17 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 1x8i s VAL 175 N 1.55 1.46 -0.13 2.92 1.01 -1.26 -1.47 120.40 124.48 1x8i s VAL 175 Ca 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1x8i s VAL 175 Cb -0.15 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1x8i s VAL 175 CO -0.08 0.43 -0.02 -1.00 0.00 0.00 0.00 175.10 174.43 1x8i s HIS 176 N 0.76 3.07 -0.72 5.22 3.76 0.29 -4.82 115.29 122.85 1x8i s HIS 176 Ca -0.12 -0.09 0.26 0.00 -0.15 0.00 0.00 55.06 54.96 1x8i s HIS 176 Cb -0.16 -1.90 0.67 0.00 1.11 0.00 0.00 32.58 32.31 1x8i s HIS 176 CO 0.02 0.16 1.63 -0.25 -0.85 0.00 0.00 174.74 175.45 1x8i n ASP 177 N 3.02 0.74 -0.07 1.40 8.00 -1.26 -0.68 116.55 127.69 1x8i n ASP 177 Ca -0.18 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1x8i n ASP 177 Cb 0.53 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 1x8i n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x8i n GLY 178 N 1.33 5.66 3.75 0.44 0.00 -1.26 -4.89 105.19 110.22 1x8i n GLY 178 Ca 0.05 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1x8i n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x8i s ASP 179 N 0.89 4.33 0.16 1.61 1.01 -1.26 -4.93 116.67 118.47 1x8i s ASP 179 Ca 0.00 1.92 -0.18 0.00 0.71 0.00 0.00 52.55 55.00 1x8i s ASP 179 Cb 0.00 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.44 1x8i s ASP 179 CO 0.00 -2.16 0.49 0.72 0.21 0.00 0.00 175.17 174.43 1x8i s PHE 180 N -2.76 -0.25 0.16 4.23 -0.71 -0.43 -5.03 117.98 113.19 1x8i s PHE 180 Ca 0.63 -0.05 0.06 0.00 -1.04 0.00 0.00 56.93 56.54 1x8i s PHE 180 Cb -0.19 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1x8i s PHE 180 CO 0.54 -0.81 -0.13 0.95 -1.34 0.00 0.00 175.22 174.43 1x8i s THR 181 N -3.81 1.46 0.31 -4.49 -4.23 -1.26 0.00 115.64 103.62 1x8i s THR 181 Ca 0.05 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1x8i s THR 181 Cb 0.00 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 1x8i s THR 181 CO -0.09 -0.58 0.11 -0.76 -0.54 0.00 0.00 174.62 172.76 1x8i s LEU 182 N -3.01 1.82 -1.25 4.79 1.43 0.61 -4.86 118.68 118.21 1x8i s LEU 182 Ca 0.17 -1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 51.77 1x8i s LEU 182 Cb -0.01 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.19 1x8i s LEU 182 CO 0.04 -0.79 0.94 0.00 0.23 0.00 0.00 176.35 176.77 1x8i n GLN 183 N -0.63 -6.30 -3.97 1.70 1.13 -1.26 -1.84 117.38 106.20 1x8i n GLN 183 Ca -0.01 0.79 -0.30 0.00 -1.94 0.00 0.00 57.00 55.53 1x8i n GLN 183 Cb 0.66 -5.69 0.01 0.00 0.11 0.00 0.00 30.24 25.32 1x8i n GLN 183 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1x8i n GLU 184 N -4.25 -4.54 -0.75 -1.09 -0.58 -1.26 -1.92 120.64 106.24 1x8i n GLU 184 Ca -0.26 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1x8i n GLU 184 Cb 0.66 -5.22 0.00 0.00 -0.57 0.00 0.00 31.44 26.31 1x8i n GLU 184 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x8i n GLY 185 N -1.64 0.80 0.11 0.62 0.00 -0.77 -4.92 105.19 99.40 1x8i n GLY 185 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1x8i n GLY 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x8i n LYS 186 N -2.22 0.36 -3.86 1.61 4.76 -0.81 -4.65 118.16 113.35 1x8i n LYS 186 Ca 0.00 -0.22 -0.28 0.00 -2.87 0.00 0.00 58.31 54.94 1x8i n LYS 186 Cb 0.00 -1.50 -0.16 0.00 -1.84 0.00 0.00 35.03 31.53 1x8i n LYS 186 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1x8i s VAL 187 N -2.80 1.01 -0.22 -0.18 1.01 -1.00 -4.10 120.40 114.12 1x8i s VAL 187 Ca 0.16 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1x8i s VAL 187 Cb 0.18 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.37 1x8i s VAL 187 CO 0.64 0.06 -0.11 -0.13 0.00 0.00 0.00 175.10 175.57 1x8i s ARG 188 N 1.67 2.14 -0.18 2.72 0.52 0.11 -0.28 118.95 125.64 1x8i s ARG 188 Ca 0.00 -1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 54.12 1x8i s ARG 188 Cb -0.16 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1x8i s ARG 188 CO -0.07 -0.47 0.06 0.00 0.02 0.00 0.00 175.30 174.84 1x8i s ALA 189 N 1.29 3.42 0.04 2.13 0.00 0.10 -0.43 121.76 128.32 1x8i s ALA 189 Ca -0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1x8i s ALA 189 Cb -0.17 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1x8i s ALA 189 CO -0.07 0.19 0.19 -0.59 0.00 0.00 0.00 175.76 175.48 1x8i s PHE 190 N 0.33 0.06 -0.16 0.00 -0.71 -0.41 -1.31 117.98 115.78 1x8i s PHE 190 Ca 0.03 -0.30 -0.05 0.00 -1.04 0.00 0.00 56.93 55.58 1x8i s PHE 190 Cb -0.12 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 1x8i s PHE 190 CO 0.00 -0.44 0.01 -0.47 -1.34 0.00 0.00 175.22 172.98 1x8i s TYR 191 N -2.64 3.14 -0.08 3.49 5.04 -1.26 -0.74 117.35 124.29 1x8i s TYR 191 Ca -0.04 -0.08 0.12 0.00 -2.44 0.00 0.00 57.07 54.63 1x8i s TYR 191 Cb -0.01 -1.99 0.19 0.00 0.35 0.00 0.00 41.96 40.51 1x8i s TYR 191 CO -0.04 0.11 1.10 0.00 -1.34 0.00 0.00 175.55 175.38 1x8i n ALA 192 N 3.35 2.21 0.00 3.97 0.00 -1.26 -5.04 120.51 123.74 1x8i n ALA 192 Ca -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.20 1x8i n ALA 192 Cb 0.52 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1x8i n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x8i n GLY 193 N -0.89 1.79 3.79 0.00 0.00 -1.26 -4.58 105.19 104.04 1x8i n GLY 193 Ca 0.10 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 1x8i n GLY 193 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x8i s PRO 194 N -1.77 3.38 0.00 1.61 0.04 -1.25 -4.77 135.00 132.23 1x8i s PRO 194 Ca 0.00 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1x8i s PRO 194 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1x8i s PRO 194 CO 0.00 -0.78 0.00 0.00 0.04 0.00 0.00 177.00 176.26 1x8i n ALA 195 N -1.74 0.00 -0.21 8.56 0.00 -1.26 -4.10 120.51 121.76 1x8i n ALA 195 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 1x8i n ALA 195 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.12 1x8i n ALA 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1x8i h HIS 196 N 0.00 1.02 -3.07 0.00 -0.00 -1.89 0.34 115.15 111.54 1x8i h HIS 196 Ca 0.00 -0.07 -0.44 0.00 -0.00 0.00 0.00 60.37 59.86 1x8i h HIS 196 Cb 0.00 -0.31 -0.14 0.00 -0.00 0.00 0.00 27.41 26.96 1x8i h HIS 196 CO 0.00 0.78 -0.61 0.95 -0.00 0.00 0.00 177.93 179.05 1x8i s THR 197 N -5.43 1.04 0.47 6.26 -4.23 -1.26 -2.46 115.64 110.03 1x8i s THR 197 Ca -0.11 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.69 1x8i s THR 197 Cb 0.16 -2.75 0.32 0.00 1.34 0.00 0.00 72.50 71.57 1x8i s THR 197 CO 0.81 -0.01 2.14 -0.65 -0.54 0.00 0.00 174.62 176.37 1x8i h PRO 198 N 2.19 0.00 -0.00 3.99 0.11 -1.84 -3.34 132.00 133.11 1x8i h PRO 198 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1x8i h PRO 198 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1x8i h PRO 198 CO 0.67 0.08 -0.35 -0.40 -0.21 0.00 0.00 178.00 177.79 1x8i n ASP 199 N -3.67 0.66 -4.63 -2.05 5.75 -1.26 -3.93 116.55 107.42 1x8i n ASP 199 Ca -0.02 -0.83 -0.48 0.00 -0.01 0.00 0.00 54.79 53.45 1x8i n ASP 199 Cb 0.18 0.83 -0.04 0.00 -1.03 0.00 0.00 41.12 41.06 1x8i n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x8i n GLY 200 N 1.10 0.74 3.69 6.12 0.00 -1.25 -4.81 105.19 110.78 1x8i n GLY 200 Ca 0.02 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.44 1x8i n GLY 200 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x8i s ILE 201 N 0.49 3.42 0.08 -0.61 -4.36 -0.58 -4.67 121.20 114.97 1x8i s ILE 201 Ca 0.78 -1.79 0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1x8i s ILE 201 Cb -0.78 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 1x8i s ILE 201 CO 0.44 -0.31 0.14 -0.36 0.24 0.00 0.00 174.94 175.09 1x8i s PHE 202 N -2.34 3.34 -0.11 1.37 0.08 0.08 -4.53 117.98 115.88 1x8i s PHE 202 Ca 0.33 0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.55 1x8i s PHE 202 Cb -0.05 -1.68 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1x8i s PHE 202 CO 0.21 0.55 -0.15 0.08 -0.10 0.00 0.00 175.22 175.82 1x8i s VAL 203 N -1.46 1.47 -0.06 -0.44 1.01 0.29 -1.29 120.40 119.92 1x8i s VAL 203 Ca 0.32 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.73 1x8i s VAL 203 Cb -0.12 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1x8i s VAL 203 CO 0.25 0.44 -0.19 -0.47 0.00 0.00 0.00 175.10 175.13 1x8i s TYR 204 N 1.04 2.58 -0.51 5.22 5.04 0.43 -0.47 117.35 130.69 1x8i s TYR 204 Ca -0.06 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 1x8i s TYR 204 Cb -0.15 -1.63 0.13 0.00 0.35 0.00 0.00 41.96 40.67 1x8i s TYR 204 CO -0.02 -0.01 0.28 -0.06 -1.34 0.00 0.00 175.55 174.40 1x8i s PHE 205 N -0.43 3.43 0.33 4.97 0.40 -0.28 -0.72 117.98 125.69 1x8i s PHE 205 Ca 0.05 -2.86 0.03 0.00 -0.60 0.00 0.00 56.93 53.55 1x8i s PHE 205 Cb -0.12 -3.04 0.59 0.00 0.51 0.00 0.00 43.02 40.96 1x8i s PHE 205 CO 0.02 -0.85 1.91 -1.00 0.70 0.00 0.00 175.22 175.99 1x8i h PRO 209 N 7.13 0.65 -0.61 0.24 0.13 -1.86 0.30 132.00 137.98 1x8i h PRO 209 Ca -0.06 -0.11 -0.09 0.00 -0.87 0.00 0.00 66.00 64.87 1x8i h PRO 209 Cb 0.96 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1x8i h PRO 209 CO 0.67 0.58 0.02 -0.44 -0.23 0.00 0.00 178.00 178.60 1x8i h ASP 210 N 0.64 1.04 0.31 1.44 3.32 -1.95 -3.01 116.42 118.21 1x8i h ASP 210 Ca 0.15 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1x8i h ASP 210 Cb 0.21 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1x8i h ASP 210 CO -0.01 1.08 -0.76 -0.62 -1.72 0.00 0.00 179.24 177.21 1x8i n GLU 211 N -4.18 0.05 -3.62 3.56 4.71 -1.13 -4.98 120.64 115.04 1x8i n GLU 211 Ca 0.03 -0.00 -0.21 0.00 -0.01 0.00 0.00 57.16 56.97 1x8i n GLU 211 Cb 0.34 -1.51 0.06 0.00 -1.01 0.00 0.00 31.44 29.31 1x8i n GLU 211 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1x8i n GLN 215 N -1.57 -6.05 -4.67 3.49 6.02 0.07 -4.74 117.38 109.92 1x8i n GLN 215 Ca 0.04 0.73 -0.33 0.00 -0.01 0.00 0.00 57.00 57.43 1x8i n GLN 215 Cb 0.35 -5.57 -0.14 0.00 1.02 0.00 0.00 30.24 25.91 1x8i n GLN 215 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1x8i s VAL 216 N -3.46 3.31 -0.13 5.09 1.01 -1.05 -0.57 120.40 124.60 1x8i s VAL 216 Ca 0.17 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1x8i s VAL 216 Cb -0.08 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1x8i s VAL 216 CO 0.77 0.52 -0.11 -0.22 0.00 0.00 0.00 175.10 176.06 1x8i s LEU 217 N 0.28 2.82 -0.11 3.92 2.96 -0.27 -1.13 118.68 127.16 1x8i s LEU 217 Ca -0.08 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1x8i s LEU 217 Cb -0.15 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1x8i s LEU 217 CO 0.05 0.18 -0.12 -0.47 -1.32 0.00 0.00 176.35 174.66 1x8i s TYR 218 N 0.28 2.81 -0.20 5.38 5.04 0.38 -1.33 117.35 129.70 1x8i s TYR 218 Ca -0.08 -0.46 0.11 0.00 -2.44 0.00 0.00 57.07 54.20 1x8i s TYR 218 Cb -0.15 -1.79 0.23 0.00 0.35 0.00 0.00 41.96 40.59 1x8i s TYR 218 CO 0.05 -0.07 1.15 0.41 -1.34 0.00 0.00 175.55 175.76 1x8i n GLY 219 N 3.16 3.80 7.00 8.97 0.00 -1.26 -0.54 105.19 126.32 1x8i n GLY 219 Ca -0.18 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1x8i n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x8i n GLY 220 N -0.70 2.88 0.00 -0.02 0.00 -1.26 -1.46 105.19 104.63 1x8i n GLY 220 Ca 0.11 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.03 1x8i n GLY 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x8i h ILE 222 N 0.00 1.30 -4.11 0.00 2.04 -1.64 -3.44 117.51 111.65 1x8i h ILE 222 Ca 0.00 -1.58 -0.68 0.00 1.00 0.00 0.00 64.86 63.61 1x8i h ILE 222 Cb 0.17 1.54 -0.31 0.00 -0.74 0.00 0.00 36.82 37.48 1x8i h ILE 222 CO 0.00 0.50 -0.88 -0.76 0.00 0.00 0.00 178.15 177.01 1x8i s LEU 223 N -8.57 2.05 0.00 1.44 1.43 -1.23 -4.94 118.68 108.85 1x8i s LEU 223 Ca -0.08 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1x8i s LEU 223 Cb 0.12 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1x8i s LEU 223 CO 0.83 0.25 0.00 2.29 0.23 0.00 0.00 176.35 179.95 1x8i n LYS 224 N 2.87 -1.77 0.02 1.70 2.85 -1.26 -1.06 118.16 121.51 1x8i n LYS 224 Ca -0.17 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.87 1x8i n LYS 224 Cb 0.52 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.76 1x8i n LYS 224 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1x8i h GLU 225 N 0.00 0.29 -6.09 -1.58 5.08 -1.91 -3.42 114.58 106.95 1x8i h GLU 225 Ca 0.00 -0.50 -0.62 0.00 -1.00 0.00 0.00 59.36 57.24 1x8i h GLU 225 Cb 0.00 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1x8i h GLU 225 CO 0.00 1.24 -0.55 0.15 -1.00 0.00 0.00 179.01 178.85 1x8i s LYS 226 N -2.55 3.10 0.27 2.33 1.02 -1.26 -4.94 119.74 117.72 1x8i s LYS 226 Ca -0.20 -0.63 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1x8i s LYS 226 Cb 0.06 -2.83 0.61 0.00 -0.52 0.00 0.00 37.83 35.15 1x8i s LYS 226 CO 0.79 0.56 1.64 1.25 -0.92 0.00 0.00 175.35 178.67 1x8i h LEU 231 N 3.00 -0.16 0.00 3.17 5.85 -1.96 -3.47 115.31 121.74 1x8i h LEU 231 Ca -0.46 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1x8i h LEU 231 Cb 1.17 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1x8i h LEU 231 CO 0.69 -0.18 0.00 0.61 -0.34 0.00 0.00 178.44 179.22 1x8i n GLY 232 N -1.40 -0.74 3.60 3.75 0.00 -1.26 -4.79 105.19 104.34 1x8i n GLY 232 Ca 0.19 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 1x8i n GLY 232 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x8i s ASN 233 N -4.00 6.02 -0.06 1.61 3.84 -1.26 -4.96 114.94 116.14 1x8i s ASN 233 Ca 0.00 0.01 0.17 0.00 0.21 0.00 0.00 52.86 53.25 1x8i s ASN 233 Cb 0.00 -2.11 0.56 0.00 -0.55 0.00 0.00 41.25 39.15 1x8i s ASN 233 CO 0.00 -0.03 1.48 0.18 -2.79 0.00 0.00 177.10 175.94 1x8i n LEU 234 N 4.90 3.94 0.26 3.21 4.77 -1.26 -4.64 117.00 128.18 1x8i n LEU 234 Ca -0.14 -2.26 0.11 0.00 -0.03 0.00 0.00 56.01 53.68 1x8i n LEU 234 Cb 0.52 -0.45 0.70 0.00 -2.33 0.00 0.00 43.42 41.86 1x8i n LEU 234 CO 0.33 0.82 1.00 0.28 -1.33 0.00 0.00 177.39 178.50 1x8i h SER 235 N 3.30 0.00 -0.21 -1.43 0.02 -1.93 -2.02 113.55 111.28 1x8i h SER 235 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x8i h SER 235 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x8i h SER 235 CO 0.10 0.09 0.00 0.49 -1.14 0.00 0.00 176.83 176.38 1x8i n PHE 236 N -4.00 0.27 -2.66 3.45 3.72 -1.26 -5.06 117.46 111.92 1x8i n PHE 236 Ca -0.02 -0.20 -0.29 0.00 -0.05 0.00 0.00 57.45 56.89 1x8i n PHE 236 Cb 0.18 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1x8i n PHE 236 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x8i s ALA 237 N -1.19 3.37 -0.66 4.37 0.00 -0.76 -4.27 121.76 122.62 1x8i s ALA 237 Ca 0.24 -0.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 1x8i s ALA 237 Cb 0.15 -2.65 0.17 0.00 0.00 0.00 0.00 23.12 20.78 1x8i s ALA 237 CO 0.21 -0.26 0.55 0.34 0.00 0.00 0.00 175.76 176.60 1x8i s ASP 238 N -3.80 5.99 0.22 0.00 -1.08 0.11 -4.97 116.67 113.13 1x8i s ASP 238 Ca 0.49 -2.50 -0.08 0.00 -0.52 0.00 0.00 52.55 49.94 1x8i s ASP 238 Cb -0.10 -2.05 0.18 0.00 -1.46 0.00 0.00 42.92 39.49 1x8i s ASP 238 CO 0.41 -0.56 1.83 0.58 0.52 0.00 0.00 175.17 177.95 1x8i h VAL 239 N 5.34 1.25 -0.28 1.11 2.07 -1.93 -0.93 116.25 122.88 1x8i h VAL 239 Ca -0.04 -0.67 -0.16 0.00 0.82 0.00 0.00 66.70 66.66 1x8i h VAL 239 Cb 1.02 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1x8i h VAL 239 CO 0.79 0.29 -0.45 0.11 0.02 0.00 0.00 177.57 178.33 1x8i h LYS 240 N 1.17 0.73 0.00 1.57 1.57 -1.94 -3.10 116.57 116.58 1x8i h LYS 240 Ca 0.29 -0.41 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1x8i h LYS 240 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1x8i h LYS 240 CO -0.04 1.03 -0.32 0.00 -0.57 0.00 0.00 179.45 179.54 1x8i h ALA 241 N 0.91 1.00 -0.20 3.86 0.00 -1.80 -3.37 119.26 119.66 1x8i h ALA 241 Ca 0.04 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.70 1x8i h ALA 241 Cb 1.01 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1x8i h ALA 241 CO 0.10 0.40 -0.38 -0.92 0.00 0.00 0.00 179.25 178.45 1x8i h TYR 242 N 0.00 -1.08 0.00 0.00 5.03 -1.09 0.10 116.97 119.93 1x8i h TYR 242 Ca -0.00 0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.29 1x8i h TYR 242 Cb 0.85 0.50 -0.01 0.00 1.55 0.00 0.00 36.73 39.63 1x8i h TYR 242 CO 0.00 -0.44 -0.30 -1.00 -1.32 0.00 0.00 178.16 175.10 1x8i h PRO 243 N -0.41 0.00 -0.53 1.82 0.13 -1.75 -1.60 132.00 129.66 1x8i h PRO 243 Ca 0.10 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.15 1x8i h PRO 243 Cb 0.59 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 1x8i h PRO 243 CO -0.43 0.30 0.01 1.96 -0.23 0.00 0.00 178.00 179.61 1x8i h GLN 244 N 0.00 0.89 -0.34 0.86 4.20 -1.27 -0.31 115.11 119.14 1x8i h GLN 244 Ca -0.00 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.42 1x8i h GLN 244 Cb 0.62 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1x8i h GLN 244 CO 0.04 0.88 0.07 1.15 -0.67 0.00 0.00 178.83 180.29 1x8i h THR 245 N 0.82 1.23 -0.24 -0.54 2.02 -0.20 -0.59 112.91 115.41 1x8i h THR 245 Ca 0.16 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1x8i h THR 245 Cb 0.48 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1x8i h THR 245 CO 0.02 0.27 0.07 -0.07 0.37 0.00 0.00 175.52 176.19 1x8i h LEU 246 N 0.40 0.30 -0.18 2.58 3.38 -1.18 -1.55 115.31 119.06 1x8i h LEU 246 Ca 0.11 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.84 1x8i h LEU 246 Cb 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1x8i h LEU 246 CO 0.00 0.30 -0.95 -0.33 0.09 0.00 0.00 178.44 177.55 1x8i h GLU 247 N 0.33 0.20 -0.68 1.13 4.39 -0.83 -1.17 114.58 117.95 1x8i h GLU 247 Ca 0.08 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1x8i h GLU 247 Cb 0.11 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1x8i h GLU 247 CO -0.01 1.01 0.43 0.00 -1.16 0.00 0.00 179.01 179.28 1x8i h ARG 248 N 0.10 0.91 0.28 2.33 3.08 -0.84 -0.99 114.38 119.25 1x8i h ARG 248 Ca -0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1x8i h ARG 248 Cb 1.61 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 1x8i h ARG 248 CO 0.15 0.63 -0.16 1.25 -1.07 0.00 0.00 179.97 180.77 1x8i h LEU 249 N 0.92 -0.39 -1.69 3.04 5.85 -1.17 -2.86 115.31 119.02 1x8i h LEU 249 Ca 0.25 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1x8i h LEU 249 Cb -0.06 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1x8i h LEU 249 CO -0.05 -0.26 0.25 0.11 -0.34 0.00 0.00 178.44 178.15 1x8i h LYS 250 N -0.42 0.39 0.00 1.25 1.57 -1.00 -1.61 116.57 116.75 1x8i h LYS 250 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1x8i h LYS 250 Cb 0.34 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1x8i h LYS 250 CO 0.04 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 1x8i h ALA 251 N 1.78 1.00 0.00 3.86 0.00 -0.95 -2.18 119.26 122.77 1x8i h ALA 251 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x8i h ALA 251 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1x8i h ALA 251 CO -0.04 0.00 0.00 0.52 0.00 0.00 0.00 179.25 179.73 1x8i h MET 252 N 0.00 0.00 -6.12 0.00 2.86 -1.19 -3.47 114.93 107.01 1x8i h MET 252 Ca 0.00 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.20 1x8i h MET 252 Cb 0.41 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.10 1x8i h MET 252 CO 0.00 0.00 -0.78 1.63 1.06 0.00 0.00 176.91 178.82 1x8i n LYS 253 N -3.04 -5.69 -2.17 1.72 5.02 -0.82 -4.93 118.16 108.24 1x8i n LYS 253 Ca 0.00 0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 1x8i n LYS 253 Cb 0.28 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 29.81 1x8i n LYS 253 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x8i s LEU 254 N -7.00 4.39 -0.18 -0.35 1.43 -1.26 -4.95 118.68 110.76 1x8i s LEU 254 Ca 0.36 2.41 -0.28 0.00 -1.03 0.00 0.00 54.13 55.59 1x8i s LEU 254 Cb -0.18 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 1x8i s LEU 254 CO 0.80 -0.60 2.19 -2.65 0.23 0.00 0.00 176.35 176.32 1x8i n PRO 255 N 3.15 2.09 -4.23 1.29 -0.02 -1.26 -4.97 135.00 131.05 1x8i n PRO 255 Ca 0.09 0.61 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 1x8i n PRO 255 Cb 0.42 -3.21 -0.17 0.00 -0.02 0.00 0.00 33.50 30.52 1x8i n PRO 255 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1x8i s ILE 256 N 7.81 1.30 -0.20 4.25 1.01 -1.26 -4.56 121.20 129.55 1x8i s ILE 256 Ca 0.99 -0.50 0.17 0.00 0.00 0.00 0.00 60.65 61.31 1x8i s ILE 256 Cb -0.35 -1.23 -0.24 0.00 0.01 0.00 0.00 42.46 40.65 1x8i s ILE 256 CO 0.36 0.41 0.08 0.29 0.00 0.00 0.00 174.94 176.08 1x8i n LYS 257 N 4.46 0.69 -3.82 2.79 5.02 0.27 -4.64 118.16 122.92 1x8i n LYS 257 Ca -0.17 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 55.99 1x8i n LYS 257 Cb 0.51 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 1x8i n LYS 257 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1x8i s THR 258 N -2.50 -0.01 -0.09 -0.18 2.01 -0.96 -4.28 115.64 109.64 1x8i s THR 258 Ca -0.11 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1x8i s THR 258 Cb 0.06 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 72.48 1x8i s THR 258 CO 0.82 0.07 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.92 1x8i s VAL 259 N 0.73 2.44 -0.35 3.82 1.01 -0.19 -1.12 120.40 126.74 1x8i s VAL 259 Ca -0.06 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1x8i s VAL 259 Cb -0.09 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 1x8i s VAL 259 CO -0.02 0.55 0.22 -0.63 0.00 0.00 0.00 175.10 175.22 1x8i s ILE 260 N 0.13 4.97 0.42 2.22 -1.09 -0.44 -1.26 121.20 126.15 1x8i s ILE 260 Ca -0.10 -0.43 -0.25 0.00 -2.23 0.00 0.00 60.65 57.64 1x8i s ILE 260 Cb -0.16 -3.61 -0.08 0.00 -1.58 0.00 0.00 42.46 37.03 1x8i s ILE 260 CO 0.06 -0.06 1.19 -0.83 -1.23 0.00 0.00 174.94 174.07 1x8i s GLY 261 N 1.66 2.85 0.08 6.18 0.00 -0.51 -4.01 107.32 113.57 1x8i s GLY 261 Ca 0.05 1.00 0.27 0.00 0.00 0.00 0.00 44.72 46.04 1x8i s GLY 261 CO 0.09 1.50 1.77 0.61 0.00 0.00 0.00 173.10 177.07 1x8i n GLY 262 N 0.58 -1.54 3.28 0.20 0.00 -0.23 -4.54 105.19 102.95 1x8i n GLY 262 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1x8i n GLY 262 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x8i s HIS 263 N -3.05 1.08 0.00 1.61 3.76 -1.26 -1.11 115.29 116.32 1x8i s HIS 263 Ca 0.12 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 53.73 1x8i s HIS 263 Cb 0.16 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.41 1x8i s HIS 263 CO 0.59 -0.73 0.00 -0.25 -0.85 0.00 0.00 174.74 173.50 1x8i n ASP 264 N -0.43 -3.93 -4.70 1.40 8.00 -1.26 -4.33 116.55 111.30 1x8i n ASP 264 Ca 0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 1x8i n ASP 264 Cb 0.65 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 1x8i n ASP 264 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x8i s SER 265 N -4.00 6.72 0.13 -2.24 0.01 -1.26 -4.89 113.70 108.17 1x8i s SER 265 Ca 0.00 2.35 -0.15 0.00 1.31 0.00 0.00 55.95 59.46 1x8i s SER 265 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1x8i s SER 265 CO 0.00 -0.78 1.63 1.55 0.41 0.00 0.00 173.24 176.05 1x8i h PRO 266 N 7.70 0.66 -5.85 12.44 0.13 -1.83 -3.42 132.00 141.84 1x8i h PRO 266 Ca -0.41 -0.16 -0.60 0.00 -0.87 0.00 0.00 66.00 63.96 1x8i h PRO 266 Cb 1.20 -0.08 -0.10 0.00 0.13 0.00 0.00 31.00 32.14 1x8i h PRO 266 CO 0.91 0.68 0.46 -0.51 -0.23 0.00 0.00 178.00 179.31 1x8i s LEU 267 N -9.61 4.07 0.25 1.56 1.43 -1.26 -1.43 118.68 113.69 1x8i s LEU 267 Ca -0.13 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1x8i s LEU 267 Cb 0.10 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1x8i s LEU 267 CO 0.77 -0.65 0.23 -1.00 0.23 0.00 0.00 176.35 175.93 1x8i s HIS 289 N 3.05 1.26 0.25 0.29 3.76 -0.39 -5.01 115.29 118.51 1x8i s HIS 289 Ca 0.34 -1.40 0.00 0.00 -0.15 0.00 0.00 55.06 53.85 1x8i s HIS 289 Cb -0.14 -0.50 0.05 0.00 1.11 0.00 0.00 32.58 33.10 1x8i s HIS 289 CO 0.13 -0.78 0.35 0.41 -0.85 0.00 0.00 174.74 174.00 1x8i n GLY 290 N -0.41 0.77 0.35 -2.22 0.00 -1.26 -1.02 105.19 101.39 1x8i n GLY 290 Ca 0.03 -1.99 0.18 0.00 0.00 0.00 0.00 46.02 44.24 1x8i n GLY 290 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x8i h PRO 291 N 0.00 0.00 0.00 1.61 0.13 -1.82 -2.72 132.00 129.20 1x8i h PRO 291 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1x8i h PRO 291 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1x8i h PRO 291 CO 0.13 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.05 1x8i n GLU 292 N -3.79 0.08 -0.14 0.86 0.00 -1.26 -1.93 120.64 114.46 1x8i n GLU 292 Ca 0.03 0.32 0.10 0.00 0.00 0.00 0.00 57.16 57.60 1x8i n GLU 292 Cb 0.38 -1.65 0.43 0.00 0.00 0.00 0.00 31.44 30.60 1x8i n GLU 292 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1x8i h LEU 293 N 0.00 0.51 0.05 -1.84 5.85 -1.87 0.12 115.31 118.13 1x8i h LEU 293 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1x8i h LEU 293 Cb 0.30 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1x8i h LEU 293 CO 0.00 0.31 -0.07 0.40 -0.34 0.00 0.00 178.44 178.74 1x8i h ILE 294 N 0.57 0.84 -0.53 4.05 2.04 -1.64 -1.35 117.51 121.48 1x8i h ILE 294 Ca 0.31 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.13 1x8i h ILE 294 Cb 0.45 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1x8i h ILE 294 CO -0.10 0.00 0.18 0.44 0.00 0.00 0.00 178.15 178.67 1x8i h ASP 295 N -0.15 0.71 -0.05 1.72 3.32 -1.51 -0.87 116.42 119.60 1x8i h ASP 295 Ca 0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1x8i h ASP 295 Cb 0.15 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1x8i h ASP 295 CO -0.03 0.66 0.02 -0.74 -1.72 0.00 0.00 179.24 177.43 1x8i h HIS 296 N 0.76 0.03 -0.32 4.55 -0.00 -0.55 -1.92 115.15 117.71 1x8i h HIS 296 Ca 0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.39 1x8i h HIS 296 Cb 0.20 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1x8i h HIS 296 CO 0.01 0.02 -0.42 -0.92 -0.00 0.00 0.00 177.93 176.62 1x8i h TYR 297 N 0.04 1.04 -0.69 5.26 5.03 -1.10 -2.62 116.97 123.94 1x8i h TYR 297 Ca 0.02 -0.34 0.13 0.00 2.58 0.00 0.00 58.73 61.12 1x8i h TYR 297 Cb 0.01 -0.21 -0.09 0.00 1.55 0.00 0.00 36.73 37.99 1x8i h TYR 297 CO -0.09 1.15 0.23 1.49 -1.32 0.00 0.00 178.16 179.62 1x8i h GLU 298 N 0.63 0.37 -0.38 1.82 4.81 -1.04 -0.47 114.58 120.32 1x8i h GLU 298 Ca 0.04 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1x8i h GLU 298 Cb 1.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1x8i h GLU 298 CO 0.10 0.24 -0.22 0.00 -0.73 0.00 0.00 179.01 178.40 1x8i h ALA 299 N 1.51 0.90 -0.30 2.92 0.00 -1.22 -1.45 119.26 121.61 1x8i h ALA 299 Ca 0.37 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1x8i h ALA 299 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1x8i h ALA 299 CO -0.39 0.62 0.10 -0.07 0.00 0.00 0.00 179.25 179.51 1x8i h LEU 300 N 0.65 0.44 -1.07 0.00 3.38 -0.99 -2.75 115.31 114.98 1x8i h LEU 300 Ca 0.09 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1x8i h LEU 300 Cb 0.73 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1x8i h LEU 300 CO 0.06 0.53 -0.45 -0.29 0.09 0.00 0.00 178.44 178.38 1x8i h ILE 301 N 0.33 1.24 0.00 1.22 6.09 -0.92 -2.55 117.51 122.92 1x8i h ILE 301 Ca 0.10 -1.57 -0.03 0.00 -1.37 0.00 0.00 64.86 61.98 1x8i h ILE 301 Cb 0.24 1.87 -0.00 0.00 0.47 0.00 0.00 36.82 39.40 1x8i h ILE 301 CO -0.00 0.44 -0.16 0.11 -3.07 0.00 0.00 178.15 175.46 1x8i h LYS 302 N 0.00 0.00 0.00 2.19 1.57 -1.16 -2.67 116.57 116.50 1x8i h LYS 302 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x8i h LYS 302 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1x8i h LYS 302 CO 0.06 0.16 -0.53 0.00 -0.57 0.00 0.00 179.45 178.57 1x8i n ALA 303 N -2.18 3.09 -1.61 3.86 0.00 -1.01 -4.99 120.51 117.67 1x8i n ALA 303 Ca 0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 1x8i n ALA 303 Cb 0.42 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1x8i n ALA 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x8i s ALA 304 N -3.10 2.47 0.00 0.00 0.00 -0.99 -5.11 121.76 115.03 1x8i s ALA 304 Ca 0.08 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1x8i s ALA 304 Cb 0.15 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1x8i s ALA 304 CO 0.70 -1.25 0.00 -3.68 0.00 0.00 0.00 175.76 171.53