#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7r n ARG 6 N 0.00 2.67 -4.05 9.51 1.74 -1.26 -5.00 116.66 120.27 3h7r n ARG 6 Ca 0.00 -2.54 -0.08 0.00 -0.77 0.00 0.00 57.85 54.46 3h7r n ARG 6 Cb 0.00 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.46 29.73 3h7r n ARG 6 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3h7r s PHE 7 N -2.31 0.50 -0.14 -1.55 -0.12 -1.26 -1.53 117.98 111.56 3h7r s PHE 7 Ca 0.34 -0.99 -0.02 0.00 -0.05 0.00 0.00 56.93 56.21 3h7r s PHE 7 Cb 0.26 -0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3h7r s PHE 7 CO 0.09 -0.45 -0.06 -0.06 -0.05 0.00 0.00 175.22 174.69 3h7r s PHE 8 N -3.93 2.98 -0.05 3.49 0.40 0.10 -4.86 117.98 116.10 3h7r s PHE 8 Ca 0.10 -0.31 -0.28 0.00 -0.60 0.00 0.00 56.93 55.84 3h7r s PHE 8 Cb 0.07 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.67 3h7r s PHE 8 CO -0.08 -0.01 0.92 -2.00 0.70 0.00 0.00 175.22 174.75 3h7r s GLU 9 N 0.17 4.48 0.65 0.44 2.12 -1.26 -0.78 118.70 124.51 3h7r s GLU 9 Ca -0.03 1.27 -0.08 0.00 0.36 0.00 0.00 54.97 56.48 3h7r s GLU 9 Cb -0.14 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.78 3h7r s GLU 9 CO 0.03 -0.12 0.99 -0.51 -0.54 0.00 0.00 175.26 175.12 3h7r s LEU 10 N 1.32 3.06 0.00 2.70 1.43 0.21 -4.94 118.68 122.46 3h7r s LEU 10 Ca 0.47 0.88 0.10 0.00 -1.03 0.00 0.00 54.13 54.55 3h7r s LEU 10 Cb -0.19 -3.68 0.43 0.00 0.03 0.00 0.00 46.19 42.78 3h7r s LEU 10 CO 0.22 -1.22 1.31 -0.46 0.23 0.00 0.00 176.35 176.43 3h7r n ASN 11 N -2.79 0.00 -0.01 2.29 0.23 -1.26 -0.87 115.26 112.84 3h7r n ASN 11 Ca 0.06 0.46 0.13 0.00 -0.53 0.00 0.00 54.58 54.70 3h7r n ASN 11 Cb 0.58 -0.48 0.41 0.00 -2.08 0.00 0.00 39.78 38.20 3h7r n ASN 11 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3h7r n THR 12 N -1.48 0.00 -0.01 5.53 -2.24 -1.26 -4.94 114.28 109.88 3h7r n THR 12 Ca 0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3h7r n THR 12 Cb 0.11 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3h7r n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h7r n GLY 13 N 1.48 0.92 3.78 3.38 0.00 -0.05 -5.07 105.19 109.64 3h7r n GLY 13 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3h7r n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7r s ALA 14 N -2.32 2.65 -0.31 4.61 0.00 -1.26 -4.70 121.76 120.43 3h7r s ALA 14 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 3h7r s ALA 14 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3h7r s ALA 14 CO 0.00 -0.89 0.21 0.15 0.00 0.00 0.00 175.76 175.22 3h7r s LYS 15 N -3.66 3.71 -0.37 0.00 -0.14 -1.26 -0.62 119.74 117.40 3h7r s LYS 15 Ca 0.69 -0.49 -0.15 0.00 -1.36 0.00 0.00 55.97 54.66 3h7r s LYS 15 Cb -0.21 -3.71 -0.00 0.00 -1.68 0.00 0.00 37.83 32.23 3h7r s LYS 15 CO 0.32 -0.31 0.34 -1.17 -0.76 0.00 0.00 175.35 173.77 3h7r s LEU 16 N 1.73 4.66 0.33 3.17 1.98 0.04 -4.92 118.68 125.66 3h7r s LEU 16 Ca 0.06 -0.48 -0.29 0.00 -2.89 0.00 0.00 54.13 50.53 3h7r s LEU 16 Cb -0.17 -2.27 -0.11 0.00 0.66 0.00 0.00 46.19 44.30 3h7r s LEU 16 CO 0.10 -0.38 1.54 -2.65 -1.89 0.00 0.00 176.35 173.07 3h7r n PRO 17 N 5.32 2.66 0.21 0.98 -0.02 -1.26 -0.72 135.00 142.17 3h7r n PRO 17 Ca -0.10 0.94 0.07 0.00 -2.02 0.00 0.00 63.50 62.39 3h7r n PRO 17 Cb 0.49 -2.70 0.46 0.00 -0.02 0.00 0.00 33.50 31.73 3h7r n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h7r s VAL 19 N -3.93 3.77 0.14 0.00 1.01 -1.26 -1.65 120.40 118.48 3h7r s VAL 19 Ca -0.01 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3h7r s VAL 19 Cb 0.12 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3h7r s VAL 19 CO 0.66 0.37 0.06 -0.83 0.00 0.00 0.00 175.10 175.36 3h7r s GLY 20 N 1.53 1.81 -0.24 4.51 0.00 -0.08 -4.33 107.32 110.51 3h7r s GLY 20 Ca 0.06 -1.21 -0.26 0.00 0.00 0.00 0.00 44.72 43.31 3h7r s GLY 20 CO -0.00 -1.21 0.90 -2.27 0.00 0.00 0.00 173.10 170.52 3h7r s LEU 21 N -2.77 4.08 0.07 0.66 2.96 0.38 -2.80 118.68 121.26 3h7r s LEU 21 Ca 0.28 1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 55.02 3h7r s LEU 21 Cb -0.10 -3.30 -0.06 0.00 0.50 0.00 0.00 46.19 43.22 3h7r s LEU 21 CO 0.21 -0.58 1.28 -0.83 -1.32 0.00 0.00 176.35 175.11 3h7r s GLY 22 N 1.32 2.20 0.00 7.98 0.00 -0.37 -0.81 107.32 117.63 3h7r s GLY 22 Ca 0.38 0.93 0.10 0.00 0.00 0.00 0.00 44.72 46.13 3h7r s GLY 22 CO 0.07 2.19 0.96 -1.30 0.00 0.00 0.00 173.10 175.03 3h7r n THR 23 N 4.03 0.34 -1.90 0.90 -2.24 -1.14 -4.41 114.28 109.86 3h7r n THR 23 Ca 0.10 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 3h7r n THR 23 Cb 0.45 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 3h7r n THR 23 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3h7r s TYR 24 N -0.90 2.75 -1.51 4.78 5.04 -1.26 -1.93 117.35 124.32 3h7r s TYR 24 Ca 0.15 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 3h7r s TYR 24 Cb 0.09 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.43 3h7r s TYR 24 CO 0.13 -3.76 0.00 0.00 -1.34 0.00 0.00 175.55 170.58 3h7r n ALA 25 N 4.70 -0.22 -2.75 3.97 0.00 -1.26 -5.00 120.51 119.94 3h7r n ALA 25 Ca 0.15 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 3h7r n ALA 25 Cb 0.39 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 3h7r n ALA 25 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h7r s MET 26 N -3.18 3.59 0.33 0.00 -1.94 -0.81 -4.99 119.30 112.30 3h7r s MET 26 Ca 0.00 -0.04 0.07 0.00 -1.71 0.00 0.00 55.69 54.01 3h7r s MET 26 Cb 0.00 -3.09 -0.02 0.00 2.01 0.00 0.00 34.83 33.73 3h7r s MET 26 CO 0.00 0.66 0.36 0.14 -0.01 0.00 0.00 175.02 176.17 3h7r s VAL 27 N -1.26 3.79 0.23 -6.03 -7.23 -1.26 -4.93 120.40 103.70 3h7r s VAL 27 Ca 0.26 -1.21 -0.07 0.00 -1.81 0.00 0.00 61.98 59.15 3h7r s VAL 27 Cb -0.13 -3.29 0.18 0.00 0.56 0.00 0.00 36.38 33.70 3h7r s VAL 27 CO 0.15 -0.17 1.75 0.00 -0.31 0.00 0.00 175.10 176.52 3h7r h ALA 28 N 1.11 0.96 -0.80 1.32 0.00 -1.94 -1.98 119.26 117.92 3h7r h ALA 28 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3h7r h ALA 28 Cb 1.25 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3h7r h ALA 28 CO 0.56 -0.15 0.51 1.79 0.00 0.00 0.00 179.25 181.97 3h7r h THR 29 N 0.49 1.21 -0.18 0.00 1.35 -1.96 -1.13 112.91 112.70 3h7r h THR 29 Ca 0.36 -0.41 -0.19 0.00 -0.55 0.00 0.00 66.41 65.62 3h7r h THR 29 Cb 0.47 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.94 3h7r h THR 29 CO -0.33 0.21 -0.64 0.00 -0.25 0.00 0.00 175.52 174.51 3h7r h ALA 30 N 1.48 0.53 -0.37 6.62 0.00 -1.71 -1.25 119.26 124.55 3h7r h ALA 30 Ca 0.29 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3h7r h ALA 30 Cb -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3h7r h ALA 30 CO -0.06 0.70 0.21 0.82 0.00 0.00 0.00 179.25 180.92 3h7r h ILE 31 N 0.48 1.14 -0.18 0.00 1.08 -0.94 -0.19 117.51 118.90 3h7r h ILE 31 Ca -0.01 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3h7r h ILE 31 Cb 1.23 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 3h7r h ILE 31 CO 0.13 0.14 0.11 -0.08 -0.69 0.00 0.00 178.15 177.76 3h7r h GLU 32 N 0.48 0.24 -0.84 2.37 4.22 -1.17 -2.05 114.58 117.82 3h7r h GLU 32 Ca 0.13 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.62 3h7r h GLU 32 Cb 0.05 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 3h7r h GLU 32 CO -0.02 0.20 0.51 1.96 -2.18 0.00 0.00 179.01 179.48 3h7r h GLN 33 N 0.21 0.89 -0.44 1.92 1.08 -1.04 -1.67 115.11 116.06 3h7r h GLN 33 Ca 0.06 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3h7r h GLN 33 Cb 0.02 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 3h7r h GLN 33 CO -0.01 0.59 0.28 0.00 -0.95 0.00 0.00 178.83 178.74 3h7r h ALA 34 N 1.41 0.56 -0.53 3.87 0.00 -0.66 -0.43 119.26 123.48 3h7r h ALA 34 Ca 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3h7r h ALA 34 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3h7r h ALA 34 CO -0.19 -0.02 0.09 0.82 0.00 0.00 0.00 179.25 179.95 3h7r h ILE 35 N 0.57 1.25 -0.97 0.00 2.04 -0.99 -1.33 117.51 118.08 3h7r h ILE 35 Ca 0.17 -0.95 0.08 0.00 1.00 0.00 0.00 64.86 65.15 3h7r h ILE 35 Cb -0.04 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 3h7r h ILE 35 CO -0.05 0.34 0.62 0.11 0.00 0.00 0.00 178.15 179.17 3h7r h LYS 36 N 0.77 1.06 0.00 2.37 1.79 -0.93 -2.02 116.57 119.61 3h7r h LYS 36 Ca 0.16 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 3h7r h LYS 36 Cb 0.41 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3h7r h LYS 36 CO 0.01 0.70 -0.18 0.82 -1.08 0.00 0.00 179.45 179.72 3h7r h ILE 37 N 1.09 0.46 0.00 1.86 2.04 -0.62 -3.46 117.51 118.88 3h7r h ILE 37 Ca 0.43 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3h7r h ILE 37 Cb 0.23 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3h7r h ILE 37 CO -0.19 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.74 3h7r n GLY 38 N 0.10 -0.53 3.75 5.37 0.00 -0.67 -5.00 105.19 108.21 3h7r n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3h7r n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h7r s TYR 39 N -0.46 3.23 0.00 1.61 1.51 -0.59 -4.90 117.35 117.75 3h7r s TYR 39 Ca 0.00 1.34 0.00 0.00 -1.01 0.00 0.00 57.07 57.40 3h7r s TYR 39 Cb 0.00 -3.59 0.00 0.00 -0.11 0.00 0.00 41.96 38.26 3h7r s TYR 39 CO 0.00 -1.71 0.27 0.54 -1.11 0.00 0.00 175.55 173.54 3h7r n ARG 40 N 1.86 0.02 -4.30 -0.62 5.12 -1.26 -4.40 116.66 113.09 3h7r n ARG 40 Ca 0.03 -0.30 -0.29 0.00 -1.93 0.00 0.00 57.85 55.36 3h7r n ARG 40 Cb 0.43 -0.63 -0.17 0.00 -1.16 0.00 0.00 32.46 30.93 3h7r n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3h7r s HIS 41 N -0.07 2.07 -0.16 -1.55 2.46 -1.26 0.38 115.29 117.17 3h7r s HIS 41 Ca 0.00 -1.05 0.00 0.00 0.47 0.00 0.00 55.06 54.48 3h7r s HIS 41 Cb 0.00 -1.50 0.03 0.00 -0.13 0.00 0.00 32.58 30.97 3h7r s HIS 41 CO 0.00 -0.56 -0.13 0.42 -2.47 0.00 0.00 174.74 172.01 3h7r s ILE 42 N 1.17 1.58 -0.50 0.89 -1.09 0.28 -0.47 121.20 123.06 3h7r s ILE 42 Ca -0.02 -0.72 -0.18 0.00 -2.23 0.00 0.00 60.65 57.49 3h7r s ILE 42 Cb -0.14 -1.53 0.06 0.00 -1.58 0.00 0.00 42.46 39.27 3h7r s ILE 42 CO -0.05 0.38 0.57 -0.62 -1.23 0.00 0.00 174.94 173.99 3h7r s ASP 43 N 1.47 6.21 0.42 3.58 2.15 0.01 -1.53 116.67 128.97 3h7r s ASP 43 Ca 0.03 -1.01 0.07 0.00 0.43 0.00 0.00 52.55 52.08 3h7r s ASP 43 Cb -0.14 -2.26 -0.03 0.00 -0.30 0.00 0.00 42.92 40.18 3h7r s ASP 43 CO -0.10 -0.83 0.28 0.00 -0.17 0.00 0.00 175.17 174.35 3h7r s ALA 45 N -2.54 -1.78 0.26 0.00 0.00 -1.26 -3.71 121.76 112.73 3h7r s ALA 45 Ca 0.44 1.76 -0.03 0.00 0.00 0.00 0.00 51.96 54.13 3h7r s ALA 45 Cb 0.00 -0.75 0.37 0.00 0.00 0.00 0.00 23.12 22.74 3h7r s ALA 45 CO 0.25 -0.35 1.89 0.66 0.00 0.00 0.00 175.76 178.21 3h7r h SER 46 N 4.23 1.05 0.40 0.00 4.64 -1.97 -2.07 113.55 119.84 3h7r h SER 46 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h7r h SER 46 Cb 1.15 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3h7r h SER 46 CO 0.18 0.70 0.00 -0.29 -0.87 0.00 0.00 176.83 176.54 3h7r h ILE 47 N 1.21 0.00 0.00 0.95 6.09 -1.96 -1.81 117.51 121.99 3h7r h ILE 47 Ca 0.41 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 3h7r h ILE 47 Cb 0.09 1.08 0.00 0.00 0.47 0.00 0.00 36.82 38.46 3h7r h ILE 47 CO -0.15 0.00 0.00 1.88 -3.07 0.00 0.00 178.15 176.81 3h7r h TYR 48 N 0.00 0.00 0.00 2.19 0.05 -1.78 -3.46 116.97 113.96 3h7r h TYR 48 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3h7r h TYR 48 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3h7r h TYR 48 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 3h7r n GLY 49 N 0.16 0.50 0.04 3.88 0.00 -0.68 -4.75 105.19 104.33 3h7r n GLY 49 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3h7r n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h7r n ASN 50 N -0.11 1.81 -0.11 1.61 6.94 -1.26 -4.76 115.26 119.39 3h7r n ASN 50 Ca 0.00 -2.17 -0.02 0.00 -0.02 0.00 0.00 54.58 52.36 3h7r n ASN 50 Cb 0.06 -0.11 0.21 0.00 -2.36 0.00 0.00 39.78 37.57 3h7r n ASN 50 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3h7r h GLU 51 N 0.00 0.77 -0.57 -3.83 5.08 -1.87 -0.79 114.58 113.37 3h7r h GLU 51 Ca 0.00 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3h7r h GLU 51 Cb 0.71 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3h7r h GLU 51 CO 0.00 0.72 0.18 -0.22 -1.00 0.00 0.00 179.01 178.68 3h7r h LYS 52 N 0.74 0.89 -0.74 2.33 3.64 -1.86 0.56 116.57 122.13 3h7r h LYS 52 Ca 0.16 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3h7r h LYS 52 Cb 0.31 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3h7r h LYS 52 CO 0.00 0.80 0.43 0.93 -2.27 0.00 0.00 179.45 179.35 3h7r h GLU 53 N 0.80 1.01 -0.66 1.90 5.08 -1.74 -2.27 114.58 118.70 3h7r h GLU 53 Ca 0.18 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3h7r h GLU 53 Cb 0.29 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3h7r h GLU 53 CO -0.01 0.73 0.30 0.82 -1.00 0.00 0.00 179.01 179.85 3h7r h ILE 54 N 1.01 1.23 -0.84 3.13 2.04 -0.77 -2.67 117.51 120.64 3h7r h ILE 54 Ca 0.26 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3h7r h ILE 54 Cb -0.01 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 3h7r h ILE 54 CO -0.05 0.27 0.55 1.23 0.00 0.00 0.00 178.15 180.15 3h7r h GLY 55 N 0.92 1.18 1.01 5.37 0.00 -0.45 0.00 103.07 111.10 3h7r h GLY 55 Ca 0.22 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3h7r h GLY 55 CO -0.03 0.36 0.42 -1.33 0.00 0.00 0.00 176.54 175.96 3h7r h GLY 56 N 1.04 1.12 0.85 4.60 0.00 -1.10 -0.18 103.07 109.40 3h7r h GLY 56 Ca 0.33 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3h7r h GLY 56 CO -0.10 0.48 0.05 -2.08 0.00 0.00 0.00 176.54 174.90 3h7r h VAL 57 N 1.04 1.19 -0.70 4.60 2.07 -0.99 -2.41 116.25 121.05 3h7r h VAL 57 Ca 0.27 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3h7r h VAL 57 Cb 0.03 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3h7r h VAL 57 CO -0.04 0.18 0.31 -0.07 0.02 0.00 0.00 177.57 177.97 3h7r h LEU 58 N 0.08 0.93 -0.62 2.57 3.38 -0.81 -1.19 115.31 119.65 3h7r h LEU 58 Ca 0.05 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3h7r h LEU 58 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3h7r h LEU 58 CO -0.00 0.82 0.40 0.50 0.09 0.00 0.00 178.44 180.25 3h7r h LYS 59 N 0.98 0.78 -0.09 1.13 3.64 -1.00 -0.34 116.57 121.67 3h7r h LYS 59 Ca 0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3h7r h LYS 59 Cb 0.16 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3h7r h LYS 59 CO -0.03 0.52 0.00 -0.22 -2.27 0.00 0.00 179.45 177.46 3h7r h LYS 60 N 0.81 0.16 -0.28 1.90 3.64 -1.09 0.23 116.57 121.93 3h7r h LYS 60 Ca 0.24 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 3h7r h LYS 60 Cb -0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3h7r h LYS 60 CO -0.07 0.41 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.15 3h7r h LEU 61 N -0.12 0.59 -0.20 5.20 3.38 -1.05 -0.28 115.31 122.84 3h7r h LEU 61 Ca 0.03 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 3h7r h LEU 61 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h7r h LEU 61 CO 0.00 0.86 -0.44 0.40 0.09 0.00 0.00 178.44 179.35 3h7r h ILE 62 N 0.50 1.32 -0.80 1.22 2.04 -1.10 -0.53 117.51 120.16 3h7r h ILE 62 Ca 0.06 -1.67 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 3h7r h ILE 62 Cb 0.77 1.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 3h7r h ILE 62 CO 0.06 0.52 0.50 1.23 0.00 0.00 0.00 178.15 180.46 3h7r h GLY 63 N 0.34 1.15 1.48 5.37 0.00 -0.73 -1.98 103.07 108.70 3h7r h GLY 63 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3h7r h GLY 63 CO 0.10 0.45 -0.01 1.22 0.00 0.00 0.00 176.54 178.30 3h7r n ASP 64 N -4.39 0.03 -0.10 0.19 8.00 -0.14 -4.92 116.55 115.22 3h7r n ASP 64 Ca 0.09 -0.24 -0.01 0.00 0.71 0.00 0.00 54.79 55.33 3h7r n ASP 64 Cb 0.05 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.90 3h7r n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h7r n GLY 65 N 1.26 0.51 0.14 0.44 0.00 -0.74 -4.93 105.19 101.86 3h7r n GLY 65 Ca 0.15 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 3h7r n GLY 65 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h7r h PHE 66 N 0.00 0.40 -3.93 1.61 3.57 -1.33 -3.44 116.94 113.82 3h7r h PHE 66 Ca -0.03 -0.05 -0.28 0.00 3.53 0.00 0.00 57.97 61.14 3h7r h PHE 66 Cb 0.17 -0.11 -0.20 0.00 2.79 0.00 0.00 35.95 38.60 3h7r h PHE 66 CO 0.09 0.50 -0.73 0.14 -2.23 0.00 0.00 178.31 176.08 3h7r s VAL 67 N -5.20 0.62 0.34 1.41 -7.23 -1.17 -5.05 120.40 104.13 3h7r s VAL 67 Ca -0.14 -1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 58.69 3h7r s VAL 67 Cb 0.07 -0.85 -0.06 0.00 0.56 0.00 0.00 36.38 36.10 3h7r s VAL 67 CO 0.73 -0.46 0.66 -0.54 -0.31 0.00 0.00 175.10 175.18 3h7r s LYS 68 N -2.01 3.73 0.28 4.82 1.02 -1.26 -4.09 119.74 122.22 3h7r s LYS 68 Ca -0.05 0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.23 3h7r s LYS 68 Cb -0.07 -2.52 0.67 0.00 -0.52 0.00 0.00 37.83 35.39 3h7r s LYS 68 CO -0.00 0.10 1.72 -0.09 -0.92 0.00 0.00 175.35 176.15 3h7r h ARG 69 N 1.56 0.46 0.00 1.68 9.65 -1.95 -0.32 114.38 125.45 3h7r h ARG 69 Ca -0.47 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3h7r h ARG 69 Cb 1.19 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3h7r h ARG 69 CO 0.65 0.30 0.00 1.05 2.80 0.00 0.00 179.97 184.77 3h7r h GLU 70 N 0.47 0.00 0.00 0.20 4.11 -2.03 -1.64 114.58 115.69 3h7r h GLU 70 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 3h7r h GLU 70 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3h7r h GLU 70 CO -0.48 0.00 -0.13 0.39 0.07 0.00 0.00 179.01 178.86 3h7r n GLU 71 N -2.54 0.08 -4.09 1.06 1.02 -0.13 -4.86 120.64 111.18 3h7r n GLU 71 Ca -0.00 0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 3h7r n GLU 71 Cb 0.15 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 3h7r n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3h7r s LEU 72 N -3.44 3.89 -0.31 -4.62 1.43 -0.62 -4.82 118.68 110.19 3h7r s LEU 72 Ca 0.12 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3h7r s LEU 72 Cb 0.17 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 44.12 3h7r s LEU 72 CO 0.59 0.25 -0.00 0.12 0.23 0.00 0.00 176.35 177.53 3h7r s PHE 73 N -1.25 3.42 -0.23 0.29 5.36 0.16 -4.96 117.98 120.77 3h7r s PHE 73 Ca 0.25 -2.37 -0.06 0.00 -0.96 0.00 0.00 56.93 53.78 3h7r s PHE 73 Cb -0.12 -2.37 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 3h7r s PHE 73 CO 0.16 -0.89 0.04 0.42 -1.46 0.00 0.00 175.22 173.50 3h7r s ILE 74 N 1.10 4.17 -0.09 3.12 1.01 -1.26 -0.56 121.20 128.68 3h7r s ILE 74 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3h7r s ILE 74 Cb -0.20 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3h7r s ILE 74 CO -0.04 0.38 0.02 -0.89 0.00 0.00 0.00 174.94 174.40 3h7r s THR 75 N 1.37 4.44 0.38 2.92 2.01 -0.59 -0.50 115.64 125.68 3h7r s THR 75 Ca 0.05 -0.19 0.04 0.00 0.31 0.00 0.00 61.69 61.89 3h7r s THR 75 Cb -0.15 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 3h7r s THR 75 CO 0.02 0.60 0.15 -0.55 -0.69 0.00 0.00 174.62 174.15 3h7r s SER 76 N -0.83 2.51 0.00 3.53 0.15 -0.42 -0.48 113.70 118.16 3h7r s SER 76 Ca 0.13 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 55.12 3h7r s SER 76 Cb -0.11 0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3h7r s SER 76 CO 0.02 -0.93 -0.02 -0.54 1.20 0.00 0.00 173.24 172.98 3h7r s LYS 77 N -3.70 0.14 -0.30 5.44 1.02 -1.24 -1.44 119.74 119.65 3h7r s LYS 77 Ca 0.27 -0.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 3h7r s LYS 77 Cb 0.03 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.28 3h7r s LYS 77 CO 0.16 0.01 0.97 -1.17 -0.92 0.00 0.00 175.35 174.41 3h7r s LEU 78 N -0.30 4.01 0.68 3.17 2.96 0.45 -3.75 118.68 125.89 3h7r s LEU 78 Ca -0.02 0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 3h7r s LEU 78 Cb -0.02 -3.38 0.00 0.00 0.50 0.00 0.00 46.19 43.29 3h7r s LEU 78 CO -0.00 -0.77 1.06 0.86 -1.32 0.00 0.00 176.35 176.18 3h7r s TRP 79 N 3.36 3.08 0.28 5.38 -0.11 -1.26 -1.99 118.94 127.68 3h7r s TRP 79 Ca 0.41 1.44 0.36 0.00 1.22 0.00 0.00 56.10 59.53 3h7r s TRP 79 Cb -0.13 -2.91 1.64 0.00 -1.50 0.00 0.00 33.47 30.58 3h7r s TRP 79 CO 0.13 -1.22 2.09 0.77 -4.62 0.00 0.00 176.95 174.11 3h7r h SER 80 N -0.50 0.00 0.83 5.86 0.02 -1.91 -1.80 113.55 116.04 3h7r h SER 80 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3h7r h SER 80 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3h7r h SER 80 CO 0.57 0.02 0.00 -0.46 -1.14 0.00 0.00 176.83 175.82 3h7r n ASN 81 N -3.14 0.00 -1.10 3.07 6.94 -1.26 -0.89 115.26 118.87 3h7r n ASN 81 Ca -0.01 0.34 -0.04 0.00 -0.02 0.00 0.00 54.58 54.86 3h7r n ASN 81 Cb 0.24 -0.45 0.19 0.00 -2.36 0.00 0.00 39.78 37.40 3h7r n ASN 81 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3h7r n ASP 82 N -1.45 2.53 0.21 0.53 8.00 -0.68 -3.85 116.55 121.85 3h7r n ASP 82 Ca 0.08 -3.83 0.07 0.00 0.71 0.00 0.00 54.79 51.83 3h7r n ASP 82 Cb 0.29 -0.60 0.44 0.00 -0.02 0.00 0.00 41.12 41.24 3h7r n ASP 82 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3h7r h HIS 83 N 1.11 0.00 -4.00 1.24 3.86 -1.68 -3.15 115.15 112.53 3h7r h HIS 83 Ca 0.18 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.86 3h7r h HIS 83 Cb 1.45 0.00 0.10 0.00 1.06 0.00 0.00 27.41 30.02 3h7r h HIS 83 CO 0.97 0.30 0.58 -0.51 0.86 0.00 0.00 177.93 180.12 3h7r s LEU 84 N -7.22 4.02 0.37 2.43 1.43 -1.26 -4.35 118.68 114.10 3h7r s LEU 84 Ca -0.01 2.61 0.09 0.00 -1.03 0.00 0.00 54.13 55.79 3h7r s LEU 84 Cb 0.12 -4.14 0.84 0.00 0.03 0.00 0.00 46.19 43.04 3h7r s LEU 84 CO 0.66 -1.15 1.92 -0.65 0.23 0.00 0.00 176.35 177.36 3h7r h PRO 85 N 2.03 0.64 -0.03 1.29 0.11 -1.87 0.62 132.00 134.79 3h7r h PRO 85 Ca -0.50 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3h7r h PRO 85 Cb 1.27 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3h7r h PRO 85 CO 0.60 0.42 -0.27 0.93 -0.21 0.00 0.00 178.00 179.47 3h7r h GLU 86 N 0.66 0.04 0.00 1.05 5.08 -1.94 -3.22 114.58 116.26 3h7r h GLU 86 Ca 0.37 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.52 3h7r h GLU 86 Cb 0.53 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3h7r h GLU 86 CO -0.14 0.32 -1.27 -0.44 -1.00 0.00 0.00 179.01 176.48 3h7r h ASP 87 N 0.04 0.00 -0.00 1.42 3.32 -1.16 -3.38 116.42 116.66 3h7r h ASP 87 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3h7r h ASP 87 Cb 0.50 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.01 3h7r h ASP 87 CO 0.04 0.73 -0.30 0.58 -1.72 0.00 0.00 179.24 178.57 3h7r h VAL 88 N 0.00 0.34 0.00 -1.35 2.07 -1.34 -0.24 116.25 115.73 3h7r h VAL 88 Ca -0.14 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 3h7r h VAL 88 Cb 1.69 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3h7r h VAL 88 CO 0.07 0.00 -0.28 1.55 0.02 0.00 0.00 177.57 178.93 3h7r h PRO 89 N -0.44 0.00 -0.28 1.57 0.13 -1.75 -2.29 132.00 128.94 3h7r h PRO 89 Ca 0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 3h7r h PRO 89 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 3h7r h PRO 89 CO -0.26 0.28 -0.33 0.87 -0.23 0.00 0.00 178.00 178.33 3h7r h LYS 90 N 0.00 0.61 -0.22 0.86 1.57 -1.56 -1.06 116.57 116.77 3h7r h LYS 90 Ca -0.00 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 3h7r h LYS 90 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3h7r h LYS 90 CO 0.04 0.86 0.03 0.00 -0.57 0.00 0.00 179.45 179.81 3h7r h ALA 91 N 1.12 0.29 -0.68 3.86 0.00 -0.63 -1.97 119.26 121.26 3h7r h ALA 91 Ca 0.06 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3h7r h ALA 91 Cb 0.82 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3h7r h ALA 91 CO 0.07 -0.03 0.13 1.25 0.00 0.00 0.00 179.25 180.67 3h7r h LEU 92 N 0.16 1.06 -0.65 0.00 5.85 -1.31 -1.89 115.31 118.53 3h7r h LEU 92 Ca 0.07 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.62 3h7r h LEU 92 Cb 0.33 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3h7r h LEU 92 CO 0.01 1.04 0.30 -0.08 -0.34 0.00 0.00 178.44 179.36 3h7r h GLU 93 N 1.03 0.51 -0.54 1.25 4.57 -1.06 0.94 114.58 121.27 3h7r h GLU 93 Ca 0.21 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3h7r h GLU 93 Cb 0.41 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3h7r h GLU 93 CO 0.01 0.34 0.13 -0.22 -1.18 0.00 0.00 179.01 178.08 3h7r h LYS 94 N 0.52 0.88 -0.61 1.92 3.64 -1.09 -0.73 116.57 121.09 3h7r h LYS 94 Ca 0.32 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3h7r h LYS 94 Cb 0.34 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3h7r h LYS 94 CO -0.27 0.83 0.40 1.15 -2.27 0.00 0.00 179.45 179.29 3h7r h THR 95 N 0.77 1.13 -0.47 1.00 2.02 -0.70 -0.51 112.91 116.15 3h7r h THR 95 Ca 0.17 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 3h7r h THR 95 Cb 0.35 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3h7r h THR 95 CO 0.00 0.15 -0.13 -0.07 0.37 0.00 0.00 175.52 175.84 3h7r h LEU 96 N 0.81 0.89 -0.29 2.58 3.38 -0.55 0.62 115.31 122.74 3h7r h LEU 96 Ca 0.23 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3h7r h LEU 96 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3h7r h LEU 96 CO -0.06 1.02 0.17 1.56 0.09 0.00 0.00 178.44 181.21 3h7r h GLN 97 N 0.79 0.40 -0.31 1.13 4.20 -0.87 -0.03 115.11 120.43 3h7r h GLN 97 Ca 0.12 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 3h7r h GLN 97 Cb 0.65 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3h7r h GLN 97 CO 0.05 0.34 0.04 -0.44 -0.67 0.00 0.00 178.83 178.14 3h7r h ASP 98 N 0.36 0.50 0.88 1.46 3.32 -0.85 -2.67 116.42 119.42 3h7r h ASP 98 Ca 0.10 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3h7r h ASP 98 Cb 0.04 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3h7r h ASP 98 CO -0.02 0.64 0.00 0.18 -1.72 0.00 0.00 179.24 178.33 3h7r n LEU 99 N -4.61 0.17 -3.21 1.55 4.77 0.19 -3.58 117.00 112.29 3h7r n LEU 99 Ca -0.02 0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 56.26 3h7r n LEU 99 Cb 0.22 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 3h7r n LEU 99 CO 0.38 -0.16 0.15 0.00 -1.33 0.00 0.00 177.39 176.43 3h7r n GLN 100 N -1.67 -6.49 -4.31 3.23 6.02 -0.06 -4.29 117.38 109.81 3h7r n GLN 100 Ca 0.05 0.81 -0.17 0.00 -0.01 0.00 0.00 57.00 57.69 3h7r n GLN 100 Cb 0.29 -5.66 -0.10 0.00 1.02 0.00 0.00 30.24 25.79 3h7r n GLN 100 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3h7r s ILE 101 N -3.25 1.25 -0.36 5.09 -4.36 -1.02 -4.86 121.20 113.69 3h7r s ILE 101 Ca 0.46 -2.08 0.23 0.00 -0.26 0.00 0.00 60.65 59.00 3h7r s ILE 101 Cb -0.20 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 3h7r s ILE 101 CO 0.57 -0.51 1.06 0.47 0.24 0.00 0.00 174.94 176.76 3h7r n ASP 102 N -0.35 0.73 -3.62 4.36 8.00 -1.26 -4.59 116.55 119.82 3h7r n ASP 102 Ca -0.07 0.18 -0.14 0.00 0.71 0.00 0.00 54.79 55.47 3h7r n ASP 102 Cb 0.62 0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 42.20 3h7r n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3h7r s TYR 103 N -3.31 -0.35 0.12 1.24 -0.85 -1.26 -4.77 117.35 108.16 3h7r s TYR 103 Ca 0.01 0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.93 3h7r s TYR 103 Cb 0.11 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 3h7r s TYR 103 CO 0.79 -0.60 0.30 0.14 -1.52 0.00 0.00 175.55 174.66 3h7r s VAL 104 N -2.35 5.28 0.18 -3.49 -7.23 -0.40 -5.00 120.40 107.40 3h7r s VAL 104 Ca -0.06 -0.27 0.15 0.00 -1.81 0.00 0.00 61.98 59.98 3h7r s VAL 104 Cb -0.01 -3.66 0.05 0.00 0.56 0.00 0.00 36.38 33.33 3h7r s VAL 104 CO -0.01 0.03 1.64 0.44 -0.31 0.00 0.00 175.10 176.89 3h7r h ASP 105 N 2.72 0.00 -3.31 4.85 3.32 -1.12 -0.73 116.42 122.16 3h7r h ASP 105 Ca -0.46 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.46 3h7r h ASP 105 Cb 1.17 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.45 3h7r h ASP 105 CO 0.73 0.51 -0.32 -0.22 -1.72 0.00 0.00 179.24 178.22 3h7r s LEU 106 N -7.20 0.05 -0.10 1.55 2.96 -1.00 -1.72 118.68 113.22 3h7r s LEU 106 Ca -0.00 0.83 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 3h7r s LEU 106 Cb 0.11 1.25 0.01 0.00 0.50 0.00 0.00 46.19 48.07 3h7r s LEU 106 CO 0.73 -0.18 -0.15 -0.47 -1.32 0.00 0.00 176.35 174.95 3h7r s TYR 107 N 1.25 1.92 0.02 5.38 5.04 -0.49 -1.31 117.35 129.16 3h7r s TYR 107 Ca -0.09 -0.86 0.07 0.00 -2.44 0.00 0.00 57.07 53.76 3h7r s TYR 107 Cb -0.08 -1.38 -0.03 0.00 0.35 0.00 0.00 41.96 40.82 3h7r s TYR 107 CO -0.11 -0.44 -0.21 -0.51 -1.34 0.00 0.00 175.55 172.94 3h7r s LEU 108 N 0.88 2.40 -0.19 6.97 1.43 -0.52 -1.20 118.68 128.45 3h7r s LEU 108 Ca -0.09 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 3h7r s LEU 108 Cb -0.15 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3h7r s LEU 108 CO 0.00 0.28 1.59 -0.63 0.23 0.00 0.00 176.35 177.82 3h7r s ILE 109 N -0.81 3.73 0.17 -0.59 1.01 -0.54 -0.41 121.20 123.76 3h7r s ILE 109 Ca 0.12 0.84 -0.10 0.00 0.00 0.00 0.00 60.65 61.52 3h7r s ILE 109 Cb -0.10 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.71 3h7r s ILE 109 CO 0.03 -0.25 1.61 -0.74 0.00 0.00 0.00 174.94 175.59 3h7r h HIS 110 N 10.32 1.16 -3.64 3.97 2.76 -1.68 0.17 115.15 128.21 3h7r h HIS 110 Ca -0.34 -0.23 -0.15 0.00 -2.20 0.00 0.00 60.37 57.45 3h7r h HIS 110 Cb 1.15 -0.29 -0.21 0.00 1.55 0.00 0.00 27.41 29.61 3h7r h HIS 110 CO 0.90 1.05 -0.55 -1.58 -1.30 0.00 0.00 177.93 176.45 3h7r s TRP 111 N -4.91 0.10 -1.26 5.26 0.52 -1.26 -4.25 118.94 113.15 3h7r s TRP 111 Ca -0.12 -0.24 0.21 0.00 0.02 0.00 0.00 56.10 55.97 3h7r s TRP 111 Cb 0.13 -0.09 0.98 0.00 -1.15 0.00 0.00 33.47 33.35 3h7r s TRP 111 CO 0.86 -0.26 1.66 -0.35 0.02 0.00 0.00 176.95 178.89 3h7r n PRO 112 N 1.51 0.18 -3.78 4.98 -0.04 -1.26 -4.74 135.00 131.85 3h7r n PRO 112 Ca -0.23 0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 62.97 3h7r n PRO 112 Cb 0.55 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 3h7r n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h7r s ALA 113 N -2.74 3.81 0.22 0.55 0.00 -1.26 -4.80 121.76 117.54 3h7r s ALA 113 Ca 0.16 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.63 3h7r s ALA 113 Cb 0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 3h7r s ALA 113 CO 0.34 0.53 0.16 -1.54 0.00 0.00 0.00 175.76 175.25 3h7r s SER 114 N -0.85 5.47 0.17 0.00 1.04 -1.26 -4.69 113.70 113.58 3h7r s SER 114 Ca 0.16 -0.22 0.07 0.00 0.48 0.00 0.00 55.95 56.44 3h7r s SER 114 Cb -0.13 -1.39 -0.04 0.00 0.10 0.00 0.00 66.02 64.56 3h7r s SER 114 CO 0.05 0.01 -0.14 -0.76 0.98 0.00 0.00 173.24 173.38 3h7r s LEU 115 N -3.55 2.51 0.51 2.42 1.43 -0.07 -2.07 118.68 119.87 3h7r s LEU 115 Ca 0.32 -0.97 -0.23 0.00 -1.03 0.00 0.00 54.13 52.22 3h7r s LEU 115 Cb -0.09 -0.59 -0.06 0.00 0.03 0.00 0.00 46.19 45.48 3h7r s LEU 115 CO 0.24 -0.19 1.38 0.29 0.23 0.00 0.00 176.35 178.30 3h7r n LYS 116 N -0.12 1.91 -0.29 1.70 5.02 -0.02 -4.26 118.16 122.11 3h7r n LYS 116 Ca -0.10 0.69 0.10 0.00 -2.02 0.00 0.00 58.31 56.99 3h7r n LYS 116 Cb 0.60 -2.59 0.34 0.00 -0.02 0.00 0.00 35.03 33.36 3h7r n LYS 116 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3h7r h LYS 117 N 1.78 0.75 0.00 1.97 1.63 -1.93 -1.71 116.57 119.07 3h7r h LYS 117 Ca -0.51 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 3h7r h LYS 117 Cb 1.29 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 3h7r h LYS 117 CO 0.59 0.50 0.00 1.05 -3.45 0.00 0.00 179.45 178.13 3h7r h GLU 118 N 0.77 0.00 -6.71 1.90 4.11 -1.90 -3.45 114.58 109.31 3h7r h GLU 118 Ca 0.46 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 59.43 3h7r h GLU 118 Cb 0.64 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.92 3h7r h GLU 118 CO -0.22 0.00 -0.09 -1.54 0.07 0.00 0.00 179.01 177.23 3h7r s SER 119 N -4.56 5.81 0.09 3.06 1.04 -0.64 -5.03 113.70 113.46 3h7r s SER 119 Ca 0.02 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.72 3h7r s SER 119 Cb 0.09 -1.50 0.00 0.00 0.10 0.00 0.00 66.02 64.71 3h7r s SER 119 CO 0.39 -0.72 0.00 -0.11 0.98 0.00 0.00 173.24 173.77 3h7r n LEU 120 N -2.09 0.32 -4.80 2.42 7.94 -1.26 -4.74 117.00 114.78 3h7r n LEU 120 Ca 0.02 0.14 -0.36 0.00 -1.11 0.00 0.00 56.01 54.69 3h7r n LEU 120 Cb 0.58 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.44 3h7r n LEU 120 CO 0.47 -0.64 0.48 -0.04 -1.11 0.00 0.00 177.39 176.56 3h7r s MET 121 N -1.49 4.36 -0.01 1.96 -1.94 -1.26 -4.85 119.30 116.06 3h7r s MET 121 Ca 0.00 1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 54.68 3h7r s MET 121 Cb 0.00 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.91 3h7r s MET 121 CO 0.00 0.37 1.36 -1.25 -0.01 0.00 0.00 175.02 175.49 3h7r s PRO 122 N -1.96 4.30 0.10 2.03 0.04 -1.26 -5.01 135.00 133.24 3h7r s PRO 122 Ca 0.45 1.91 0.03 0.00 0.04 0.00 0.00 61.00 63.42 3h7r s PRO 122 Cb -0.17 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 3h7r s PRO 122 CO 0.22 -0.55 -0.08 0.95 0.04 0.00 0.00 177.00 177.58 3h7r s THR 123 N 2.33 0.84 0.23 1.26 -4.23 -1.26 -4.93 115.64 109.88 3h7r s THR 123 Ca 0.62 -1.81 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 3h7r s THR 123 Cb -0.30 -1.54 0.19 0.00 1.34 0.00 0.00 72.50 72.19 3h7r s THR 123 CO 0.26 -0.73 1.85 -0.65 -0.54 0.00 0.00 174.62 174.81 3h7r h PRO 124 N 3.22 0.89 0.00 3.99 0.11 -1.93 -1.60 132.00 136.67 3h7r h PRO 124 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3h7r h PRO 124 Cb 1.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3h7r h PRO 124 CO 0.59 0.59 0.00 0.93 -0.21 0.00 0.00 178.00 179.90 3h7r h GLU 125 N 0.91 0.00 -0.01 1.05 4.39 -1.98 -2.62 114.58 116.33 3h7r h GLU 125 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3h7r h GLU 125 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3h7r h GLU 125 CO -0.16 0.00 -0.29 -1.33 -1.16 0.00 0.00 179.01 176.07 3h7r n MET 126 N -2.66 1.02 -2.22 2.33 2.81 -0.62 -4.93 117.12 112.85 3h7r n MET 126 Ca 0.01 -0.68 -0.41 0.00 -1.81 0.00 0.00 57.70 54.82 3h7r n MET 126 Cb 0.28 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.27 3h7r n MET 126 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3h7r s LEU 127 N -2.45 4.46 0.31 4.03 1.43 -0.99 -0.84 118.68 124.63 3h7r s LEU 127 Ca 0.24 2.53 0.05 0.00 -1.03 0.00 0.00 54.13 55.91 3h7r s LEU 127 Cb 0.19 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 3h7r s LEU 127 CO 0.52 -0.44 0.02 0.42 0.23 0.00 0.00 176.35 177.10 3h7r s THR 128 N -0.89 1.33 -0.16 5.49 -4.23 -0.88 -4.80 115.64 111.51 3h7r s THR 128 Ca 0.49 -2.03 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 3h7r s THR 128 Cb -0.37 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 3h7r s THR 128 CO 0.47 -0.11 1.27 -0.75 -0.54 0.00 0.00 174.62 174.97 3h7r s LYS 129 N -3.84 4.23 0.80 3.99 2.20 -1.26 -4.30 119.74 121.56 3h7r s LYS 129 Ca 0.34 1.68 -0.11 0.00 -0.36 0.00 0.00 55.97 57.51 3h7r s LYS 129 Cb 0.07 -3.76 0.07 0.00 -1.51 0.00 0.00 37.83 32.70 3h7r s LYS 129 CO 0.14 -0.70 1.10 -1.25 -0.36 0.00 0.00 175.35 174.28 3h7r s PRO 130 N 3.47 2.08 -0.43 4.03 0.04 -1.26 -4.93 135.00 137.99 3h7r s PRO 130 Ca 0.55 0.65 0.06 0.00 0.04 0.00 0.00 61.00 62.30 3h7r s PRO 130 Cb -0.22 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.60 3h7r s PRO 130 CO 0.15 -1.63 0.50 -3.47 0.04 0.00 0.00 177.00 172.59 3h7r n ASP 131 N -3.44 -1.11 0.15 6.66 2.03 -1.26 -5.00 116.55 114.57 3h7r n ASP 131 Ca 0.07 -2.62 0.02 0.00 0.52 0.00 0.00 54.79 52.78 3h7r n ASP 131 Cb 0.56 0.07 0.39 0.00 -0.72 0.00 0.00 41.12 41.42 3h7r n ASP 131 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3h7r h ILE 132 N 3.97 1.20 -0.35 5.18 1.08 -1.95 -1.84 117.51 124.79 3h7r h ILE 132 Ca 0.15 -0.92 0.04 0.00 -0.39 0.00 0.00 64.86 63.74 3h7r h ILE 132 Cb 0.95 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 36.03 3h7r h ILE 132 CO 0.32 0.27 0.14 0.74 -0.69 0.00 0.00 178.15 178.93 3h7r h THR 133 N 0.14 0.92 -0.46 -0.27 2.02 -1.98 0.33 112.91 113.60 3h7r h THR 133 Ca 0.03 -0.10 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 3h7r h THR 133 Cb 0.46 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3h7r h THR 133 CO 0.03 0.05 -0.24 0.28 0.37 0.00 0.00 175.52 176.02 3h7r h SER 134 N 0.30 1.00 -0.39 4.18 0.02 -1.83 -1.18 113.55 115.65 3h7r h SER 134 Ca 0.16 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3h7r h SER 134 Cb 0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3h7r h SER 134 CO -0.15 1.18 0.11 0.74 -1.14 0.00 0.00 176.83 177.58 3h7r h THR 135 N 0.83 1.22 -0.81 -2.27 2.02 -1.01 -2.34 112.91 110.55 3h7r h THR 135 Ca 0.10 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 3h7r h THR 135 Cb 0.82 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3h7r h THR 135 CO 0.07 0.26 0.40 -0.25 0.37 0.00 0.00 175.52 176.37 3h7r h TRP 136 N 0.49 1.15 -0.76 3.16 2.91 -0.25 -1.14 115.95 121.52 3h7r h TRP 136 Ca 0.13 -0.05 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 3h7r h TRP 136 Cb 0.28 -0.36 -0.04 0.00 -0.51 0.00 0.00 29.16 28.53 3h7r h TRP 136 CO 0.01 0.83 0.47 0.87 -1.03 0.00 0.00 178.44 179.59 3h7r h LYS 137 N 1.15 1.03 -0.47 2.65 1.57 -0.93 0.21 116.57 121.78 3h7r h LYS 137 Ca 0.28 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3h7r h LYS 137 Cb 0.10 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3h7r h LYS 137 CO -0.04 0.72 -0.09 0.00 -0.57 0.00 0.00 179.45 179.47 3h7r h ALA 138 N 1.46 0.97 -0.67 3.86 0.00 -0.88 -1.88 119.26 122.12 3h7r h ALA 138 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h7r h ALA 138 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3h7r h ALA 138 CO -0.05 0.61 0.36 0.52 0.00 0.00 0.00 179.25 180.69 3h7r h MET 139 N 0.76 0.93 -0.70 0.00 2.86 -0.25 -2.38 114.93 116.14 3h7r h MET 139 Ca 0.13 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3h7r h MET 139 Cb 0.58 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3h7r h MET 139 CO 0.04 0.70 0.46 0.93 1.06 0.00 0.00 176.91 180.10 3h7r h GLU 140 N 0.91 0.81 -0.43 1.72 5.08 -0.26 -1.38 114.58 121.04 3h7r h GLU 140 Ca 0.23 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3h7r h GLU 140 Cb 0.05 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3h7r h GLU 140 CO -0.04 0.54 0.00 0.00 -1.00 0.00 0.00 179.01 178.51 3h7r h ALA 141 N 1.59 1.21 -0.44 3.43 0.00 -0.85 0.16 119.26 124.36 3h7r h ALA 141 Ca 0.28 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3h7r h ALA 141 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h7r h ALA 141 CO -0.08 0.52 -0.12 -0.07 0.00 0.00 0.00 179.25 179.50 3h7r h LEU 142 N 0.65 0.79 -0.23 0.00 3.38 -0.95 -1.92 115.31 117.04 3h7r h LEU 142 Ca 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3h7r h LEU 142 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3h7r h LEU 142 CO 0.02 0.93 0.04 0.22 0.09 0.00 0.00 178.44 179.73 3h7r h TYR 143 N 0.72 0.40 0.00 1.13 3.20 -0.94 -0.91 116.97 120.57 3h7r h TYR 143 Ca 0.12 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3h7r h TYR 143 Cb 0.61 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 3h7r h TYR 143 CO 0.03 0.50 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.51 3h7r h ASP 144 N 0.18 0.00 -0.44 -2.11 3.32 -0.73 -1.87 116.42 114.77 3h7r h ASP 144 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3h7r h ASP 144 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3h7r h ASP 144 CO 0.00 0.10 0.00 -1.20 -1.72 0.00 0.00 179.24 176.43 3h7r n SER 145 N -3.89 3.42 -0.19 6.45 7.64 -0.74 -4.97 113.62 121.34 3h7r n SER 145 Ca -0.02 -1.98 -0.03 0.00 1.01 0.00 0.00 58.87 57.85 3h7r n SER 145 Cb 0.20 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 3h7r n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h7r n GLY 146 N 1.51 0.50 0.15 0.23 0.00 -0.70 -4.87 105.19 102.01 3h7r n GLY 146 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3h7r n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h7r h LYS 147 N 0.41 0.09 -3.99 1.61 1.79 -1.43 -3.40 116.57 111.64 3h7r h LYS 147 Ca -0.05 -0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.81 3h7r h LYS 147 Cb 0.48 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 30.75 3h7r h LYS 147 CO 0.08 0.65 -0.78 0.00 -1.08 0.00 0.00 179.45 178.31 3h7r s ALA 148 N -3.73 1.40 0.09 3.86 0.00 -1.08 -1.27 121.76 121.04 3h7r s ALA 148 Ca -0.02 -0.87 0.32 0.00 0.00 0.00 0.00 51.96 51.38 3h7r s ALA 148 Cb 0.13 -1.19 1.27 0.00 0.00 0.00 0.00 23.12 23.32 3h7r s ALA 148 CO 0.77 -0.98 1.95 0.00 0.00 0.00 0.00 175.76 177.50 3h7r h ARG 149 N 8.13 0.00 -3.68 0.00 3.08 -1.24 -3.35 114.38 117.32 3h7r h ARG 149 Ca -0.20 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.69 3h7r h ARG 149 Cb 1.11 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.94 3h7r h ARG 149 CO 0.38 0.04 -0.58 0.00 -1.07 0.00 0.00 179.97 178.73 3h7r s ALA 150 N -3.66 -0.15 0.10 0.04 0.00 -0.70 -4.98 121.76 112.40 3h7r s ALA 150 Ca 0.01 -0.24 0.08 0.00 0.00 0.00 0.00 51.96 51.82 3h7r s ALA 150 Cb 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3h7r s ALA 150 CO 0.56 -0.17 -0.21 0.96 0.00 0.00 0.00 175.76 176.91 3h7r s ILE 151 N -1.19 1.72 0.00 0.00 -4.36 -1.26 -1.40 121.20 114.71 3h7r s ILE 151 Ca -0.13 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 3h7r s ILE 151 Cb -0.07 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 42.08 3h7r s ILE 151 CO 0.00 -0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.76 3h7r n GLY 152 N 1.16 1.90 3.36 6.27 0.00 -0.34 -0.81 105.19 116.73 3h7r n GLY 152 Ca -0.19 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 3h7r n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h7r s VAL 153 N -2.93 0.84 -0.02 1.61 -7.23 -0.20 -1.46 120.40 111.01 3h7r s VAL 153 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 3h7r s VAL 153 Cb 0.00 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3h7r s VAL 153 CO 0.00 -0.05 0.09 -0.55 -0.31 0.00 0.00 175.10 174.28 3h7r s SER 154 N -3.37 -0.02 -1.48 4.85 0.15 0.05 -1.11 113.70 112.76 3h7r s SER 154 Ca 0.36 0.00 -0.01 0.00 0.70 0.00 0.00 55.95 57.00 3h7r s SER 154 Cb 0.08 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 3h7r s SER 154 CO 0.14 -0.15 0.15 0.59 1.20 0.00 0.00 173.24 175.16 3h7r n ASN 155 N 2.46 -5.30 -4.64 5.45 3.02 -0.43 -4.01 115.26 111.80 3h7r n ASN 155 Ca -0.16 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 53.93 3h7r n ASN 155 Cb 0.58 -4.31 -0.09 0.00 -0.61 0.00 0.00 39.78 35.34 3h7r n ASN 155 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3h7r s PHE 156 N -2.95 3.29 1.11 3.10 0.40 -1.26 -4.55 117.98 117.13 3h7r s PHE 156 Ca 0.07 0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 56.59 3h7r s PHE 156 Cb -0.03 -2.39 0.25 0.00 0.51 0.00 0.00 43.02 41.36 3h7r s PHE 156 CO 0.09 -0.05 1.05 -1.54 0.70 0.00 0.00 175.22 175.48 3h7r s SER 157 N 1.31 1.38 0.23 1.36 1.04 -1.26 -4.65 113.70 113.11 3h7r s SER 157 Ca 0.11 1.67 -0.06 0.00 0.48 0.00 0.00 55.95 58.15 3h7r s SER 157 Cb -0.15 -2.37 0.39 0.00 0.10 0.00 0.00 66.02 64.00 3h7r s SER 157 CO 0.07 -3.98 1.75 0.28 0.98 0.00 0.00 173.24 172.34 3h7r h SER 158 N -2.47 0.32 -0.21 7.02 0.02 -1.94 0.83 113.55 117.11 3h7r h SER 158 Ca -0.57 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 3h7r h SER 158 Cb 1.32 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 3h7r h SER 158 CO 0.48 0.16 -0.01 0.50 -1.14 0.00 0.00 176.83 176.82 3h7r h LYS 159 N 0.48 0.39 -0.33 3.45 3.64 -1.92 -0.19 116.57 122.08 3h7r h LYS 159 Ca 0.38 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3h7r h LYS 159 Cb 0.51 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3h7r h LYS 159 CO -0.35 0.59 -0.20 0.87 -2.27 0.00 0.00 179.45 178.08 3h7r h LYS 160 N 0.14 0.62 -0.37 1.90 1.57 -1.79 0.50 116.57 119.15 3h7r h LYS 160 Ca 0.06 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3h7r h LYS 160 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3h7r h LYS 160 CO 0.01 0.79 0.04 1.25 -0.57 0.00 0.00 179.45 180.97 3h7r h LEU 161 N 0.55 0.61 -0.77 2.94 5.85 -0.74 -1.52 115.31 122.24 3h7r h LEU 161 Ca 0.08 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.54 3h7r h LEU 161 Cb 0.66 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3h7r h LEU 161 CO 0.05 0.74 0.50 0.74 -0.34 0.00 0.00 178.44 180.13 3h7r h THR 162 N 0.46 1.17 -0.62 1.05 2.02 -0.62 0.05 112.91 116.44 3h7r h THR 162 Ca 0.11 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.86 3h7r h THR 162 Cb 0.40 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.85 3h7r h THR 162 CO 0.01 0.19 0.08 0.44 0.37 0.00 0.00 175.52 176.61 3h7r h ASP 163 N 1.01 0.98 -0.31 4.18 3.32 -0.71 -1.05 116.42 123.85 3h7r h ASP 163 Ca 0.29 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3h7r h ASP 163 Cb -0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3h7r h ASP 163 CO -0.07 0.99 0.03 0.25 -1.72 0.00 0.00 179.24 178.72 3h7r h LEU 164 N 0.96 0.51 -1.61 1.55 5.85 -0.89 -2.93 115.31 118.75 3h7r h LEU 164 Ca 0.19 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3h7r h LEU 164 Cb 0.44 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3h7r h LEU 164 CO 0.01 0.66 0.32 -0.07 -0.34 0.00 0.00 178.44 179.02 3h7r h LEU 165 N 0.34 0.43 -1.36 2.25 3.38 -0.52 -0.01 115.31 119.82 3h7r h LEU 165 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h7r h LEU 165 Cb 0.38 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3h7r h LEU 165 CO 0.01 0.30 0.00 0.78 0.09 0.00 0.00 178.44 179.62 3h7r h ASN 166 N 0.50 0.00 0.00 -0.43 2.35 -1.01 -3.25 115.58 113.73 3h7r h ASN 166 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3h7r h ASN 166 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3h7r h ASN 166 CO -0.05 0.00 -0.72 1.33 -1.65 0.00 0.00 177.43 176.34 3h7r n VAL 167 N -2.91 0.00 -2.52 2.81 0.24 -0.50 -5.06 118.33 110.40 3h7r n VAL 167 Ca 0.01 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.64 3h7r n VAL 167 Cb 0.28 0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 33.35 3h7r n VAL 167 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h7r s ALA 168 N -2.00 3.39 -0.16 2.33 0.00 -0.14 -4.97 121.76 120.23 3h7r s ALA 168 Ca 0.01 0.85 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 3h7r s ALA 168 Cb 0.05 -3.31 -0.24 0.00 0.00 0.00 0.00 23.12 19.62 3h7r s ALA 168 CO 0.30 -0.11 0.62 -0.09 0.00 0.00 0.00 175.76 176.47 3h7r h ARG 169 N 4.00 0.00 -5.52 0.00 2.43 -1.91 -3.44 114.38 109.94 3h7r h ARG 169 Ca -0.46 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.08 3h7r h ARG 169 Cb 1.21 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.63 3h7r h ARG 169 CO 0.68 1.00 0.17 0.08 -1.51 0.00 0.00 179.97 180.38 3h7r s VAL 170 N -2.26 4.89 0.18 0.20 1.01 -1.26 -5.04 120.40 118.12 3h7r s VAL 170 Ca -0.22 0.70 -0.32 0.00 0.00 0.00 0.00 61.98 62.15 3h7r s VAL 170 Cb -0.01 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 3h7r s VAL 170 CO 0.66 -0.27 1.61 -0.89 0.00 0.00 0.00 175.10 176.21 3h7r s THR 171 N 2.72 2.45 0.21 3.92 2.01 -1.26 -4.93 115.64 120.76 3h7r s THR 171 Ca 0.25 0.32 -0.32 0.00 0.31 0.00 0.00 61.69 62.26 3h7r s THR 171 Cb -0.14 -3.21 -0.14 0.00 0.01 0.00 0.00 72.50 69.01 3h7r s THR 171 CO 0.14 0.03 1.32 -2.65 -0.69 0.00 0.00 174.62 172.76 3h7r n PRO 172 N 3.93 1.70 0.06 4.92 -0.02 -1.26 -4.88 135.00 139.45 3h7r n PRO 172 Ca 0.14 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 62.13 3h7r n PRO 172 Cb 0.38 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 3h7r n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h7r h ALA 173 N 3.93 0.33 -3.10 3.55 0.00 -1.33 -3.42 119.26 119.22 3h7r h ALA 173 Ca -0.44 -0.97 -0.17 0.00 0.00 0.00 0.00 54.91 53.33 3h7r h ALA 173 Cb 1.30 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.82 3h7r h ALA 173 CO 0.74 1.21 -0.50 0.08 0.00 0.00 0.00 179.25 180.78 3h7r s VAL 174 N -2.68 0.03 -0.26 0.00 1.01 -1.26 -1.41 120.40 115.83 3h7r s VAL 174 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3h7r s VAL 174 Cb 0.09 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 36.21 3h7r s VAL 174 CO 0.84 -0.14 -0.07 0.21 0.00 0.00 0.00 175.10 175.93 3h7r s ASN 175 N -0.47 4.20 -0.29 3.32 2.47 -0.34 -1.03 114.94 122.79 3h7r s ASN 175 Ca -0.06 -1.36 -0.18 0.00 0.42 0.00 0.00 52.86 51.68 3h7r s ASN 175 Cb -0.04 -1.38 -0.02 0.00 -1.45 0.00 0.00 41.25 38.36 3h7r s ASN 175 CO 0.01 -0.23 0.51 -1.58 -3.72 0.00 0.00 177.10 172.09 3h7r s GLN 176 N 1.23 3.93 0.05 0.43 0.74 -0.27 -2.00 119.66 123.77 3h7r s GLN 176 Ca -0.06 0.17 -0.00 0.00 0.05 0.00 0.00 55.36 55.52 3h7r s GLN 176 Cb -0.19 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.18 3h7r s GLN 176 CO -0.06 -0.44 -0.04 0.14 -0.55 0.00 0.00 175.29 174.34 3h7r s VAL 177 N 2.34 0.30 0.17 1.34 -7.23 0.02 -1.32 120.40 116.02 3h7r s VAL 177 Ca 0.20 -1.64 -0.33 0.00 -1.81 0.00 0.00 61.98 58.41 3h7r s VAL 177 Cb -0.15 -1.28 -0.13 0.00 0.56 0.00 0.00 36.38 35.37 3h7r s VAL 177 CO 0.11 -0.86 1.67 1.21 -0.31 0.00 0.00 175.10 176.92 3h7r n GLU 178 N 0.41 2.47 -3.65 4.82 2.13 -1.26 -0.82 120.64 124.73 3h7r n GLU 178 Ca -0.16 0.89 -0.06 0.00 0.66 0.00 0.00 57.16 58.49 3h7r n GLU 178 Cb 0.60 -2.71 -0.07 0.00 0.27 0.00 0.00 31.44 29.53 3h7r n GLU 178 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3h7r s HIS 180 N 1.97 0.03 0.64 0.00 -3.43 -1.02 -4.00 115.29 109.48 3h7r s HIS 180 Ca -0.08 -0.45 0.42 0.00 -0.80 0.00 0.00 55.06 54.14 3h7r s HIS 180 Cb -0.08 0.71 2.30 0.00 -1.43 0.00 0.00 32.58 34.08 3h7r s HIS 180 CO -0.18 -1.00 2.35 -1.35 -2.00 0.00 0.00 174.74 172.56 3h7r h PRO 181 N 2.00 0.00 -0.00 -0.38 0.11 -1.89 -0.68 132.00 131.16 3h7r h PRO 181 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3h7r h PRO 181 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3h7r h PRO 181 CO 0.34 0.00 -0.43 0.28 -0.21 0.00 0.00 178.00 177.99 3h7r n VAL 182 N -3.24 0.00 -3.19 3.15 0.31 -1.26 -4.55 118.33 109.55 3h7r n VAL 182 Ca -0.03 -0.07 -0.17 0.00 -0.01 0.00 0.00 64.34 64.06 3h7r n VAL 182 Cb 0.08 0.42 -0.06 0.00 -0.91 0.00 0.00 33.84 33.37 3h7r n VAL 182 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3h7r s TRP 183 N -2.75 -0.18 -0.41 3.52 -0.11 -0.27 -0.72 118.94 118.02 3h7r s TRP 183 Ca 0.17 -1.32 0.23 0.00 1.22 0.00 0.00 56.10 56.41 3h7r s TRP 183 Cb 0.18 -0.37 0.25 0.00 -1.50 0.00 0.00 33.47 32.02 3h7r s TRP 183 CO 0.62 -1.01 1.37 1.96 -4.62 0.00 0.00 176.95 175.27 3h7r h GLN 184 N 5.89 0.00 -5.41 5.86 4.20 -1.79 -2.70 115.11 121.17 3h7r h GLN 184 Ca 0.14 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.48 3h7r h GLN 184 Cb 1.02 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.92 3h7r h GLN 184 CO 0.21 0.00 -0.63 1.04 -0.67 0.00 0.00 178.83 178.78 3h7r n GLN 185 N -2.75 -7.23 0.04 1.46 1.13 -1.26 -4.88 117.38 103.89 3h7r n GLN 185 Ca 0.02 0.78 -0.11 0.00 -1.94 0.00 0.00 57.00 55.76 3h7r n GLN 185 Cb 0.52 -5.65 -0.04 0.00 0.11 0.00 0.00 30.24 25.17 3h7r n GLN 185 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3h7r h GLN 186 N -2.43 -0.20 -0.77 -1.09 4.15 -2.00 -0.76 115.11 112.01 3h7r h GLN 186 Ca -0.53 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 58.89 3h7r h GLN 186 Cb 1.34 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 29.04 3h7r h GLN 186 CO 0.52 -0.13 0.42 0.78 -1.93 0.00 0.00 178.83 178.49 3h7r h GLY 187 N -0.20 1.15 1.68 2.39 0.00 -2.00 -2.30 103.07 103.78 3h7r h GLY 187 Ca 0.06 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.73 3h7r h GLY 187 CO -0.16 0.50 -0.51 -2.00 0.00 0.00 0.00 176.54 174.38 3h7r h LEU 188 N 1.07 0.38 -0.31 3.11 5.85 -1.88 -1.92 115.31 121.61 3h7r h LEU 188 Ca 0.27 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3h7r h LEU 188 Cb 0.04 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3h7r h LEU 188 CO -0.04 0.82 0.07 0.45 -0.34 0.00 0.00 178.44 179.40 3h7r h HIS 189 N 0.27 0.12 -0.51 1.25 3.86 -0.73 0.27 115.15 119.69 3h7r h HIS 189 Ca 0.01 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 3h7r h HIS 189 Cb 0.99 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.40 3h7r h HIS 189 CO 0.03 0.04 0.23 0.93 0.86 0.00 0.00 177.93 180.01 3h7r h GLU 190 N 0.19 0.43 0.10 2.45 5.08 -0.99 0.42 114.58 122.26 3h7r h GLU 190 Ca 0.14 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3h7r h GLU 190 Cb 0.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3h7r h GLU 190 CO -0.18 0.29 -0.05 1.25 -1.00 0.00 0.00 179.01 179.32 3h7r h LEU 191 N 0.45 -0.11 -0.35 1.33 5.85 -1.07 -1.93 115.31 119.48 3h7r h LEU 191 Ca 0.23 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3h7r h LEU 191 Cb 0.19 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3h7r h LEU 191 CO -0.19 0.21 0.04 0.00 -0.34 0.00 0.00 178.44 178.15 3h7r h LYS 193 N 0.15 0.48 0.00 0.00 3.64 -0.88 -0.40 116.57 119.56 3h7r h LYS 193 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 3h7r h LYS 193 Cb 0.21 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3h7r h LYS 193 CO -0.25 0.32 -0.12 0.66 -2.27 0.00 0.00 179.45 177.78 3h7r h SER 194 N 0.49 0.00 -0.04 4.20 4.64 -0.58 -2.60 113.55 119.66 3h7r h SER 194 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3h7r h SER 194 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3h7r h SER 194 CO -0.23 0.12 0.00 0.29 -0.87 0.00 0.00 176.83 176.15 3h7r n LYS 195 N -3.52 1.66 -1.37 4.77 4.76 -0.81 -4.98 118.16 118.67 3h7r n LYS 195 Ca -0.01 -1.65 -0.07 0.00 -2.87 0.00 0.00 58.31 53.71 3h7r n LYS 195 Cb 0.27 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3h7r n LYS 195 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h7r n GLY 196 N 1.07 0.76 3.77 0.72 0.00 -0.51 -5.02 105.19 105.97 3h7r n GLY 196 Ca 0.11 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 3h7r n GLY 196 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h7r s VAL 197 N -2.27 5.21 0.01 1.61 1.01 -0.28 -4.26 120.40 121.43 3h7r s VAL 197 Ca 0.00 0.71 -0.28 0.00 0.00 0.00 0.00 61.98 62.41 3h7r s VAL 197 Cb 0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3h7r s VAL 197 CO 0.00 0.44 0.89 -2.28 0.00 0.00 0.00 175.10 174.15 3h7r s HIS 198 N -0.02 3.68 -0.14 5.22 2.46 -0.50 -3.96 115.29 122.03 3h7r s HIS 198 Ca 0.21 1.59 -0.17 0.00 0.47 0.00 0.00 55.06 57.16 3h7r s HIS 198 Cb -0.14 -3.00 -0.04 0.00 -0.13 0.00 0.00 32.58 29.26 3h7r s HIS 198 CO 0.08 0.09 0.43 -1.17 -2.47 0.00 0.00 174.74 171.70 3h7r s LEU 199 N 0.65 4.25 -0.13 8.88 0.20 -1.26 -1.20 118.68 130.06 3h7r s LEU 199 Ca 0.46 0.71 0.02 0.00 0.69 0.00 0.00 54.13 56.01 3h7r s LEU 199 Cb -0.21 -2.61 0.00 0.00 -0.43 0.00 0.00 46.19 42.95 3h7r s LEU 199 CO 0.25 0.01 -0.20 -0.55 -0.29 0.00 0.00 176.35 175.57 3h7r s SER 200 N 0.66 3.34 -0.44 3.68 0.15 -0.85 -3.18 113.70 117.06 3h7r s SER 200 Ca 0.23 -0.53 -0.22 0.00 0.70 0.00 0.00 55.95 56.14 3h7r s SER 200 Cb -0.15 -1.48 0.02 0.00 -1.71 0.00 0.00 66.02 62.70 3h7r s SER 200 CO 0.09 0.11 0.69 -0.83 1.20 0.00 0.00 173.24 174.50 3h7r s GLY 201 N 0.65 1.67 0.51 9.45 0.00 0.54 -0.80 107.32 119.35 3h7r s GLY 201 Ca -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.46 3h7r s GLY 201 CO 0.02 1.62 0.80 -2.52 0.00 0.00 0.00 173.10 173.02 3h7r s TYR 202 N 2.98 3.35 -1.41 1.90 -0.85 -0.00 -2.39 117.35 120.93 3h7r s TYR 202 Ca 0.25 0.59 -0.01 0.00 -0.52 0.00 0.00 57.07 57.38 3h7r s TYR 202 Cb -0.13 -2.47 0.00 0.00 0.38 0.00 0.00 41.96 39.74 3h7r s TYR 202 CO 0.20 -0.51 0.38 0.43 -1.52 0.00 0.00 175.55 174.53 3h7r n SER 203 N -2.33 -0.32 0.11 -0.18 7.64 -1.26 -1.94 113.62 115.34 3h7r n SER 203 Ca 0.02 -1.04 0.11 0.00 1.01 0.00 0.00 58.87 58.97 3h7r n SER 203 Cb 0.57 -2.87 0.46 0.00 -1.01 0.00 0.00 64.21 61.36 3h7r n SER 203 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3h7r n PRO 204 N -4.42 0.17 -0.22 1.43 -0.04 -1.26 -1.43 135.00 129.23 3h7r n PRO 204 Ca -0.31 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 3h7r n PRO 204 Cb 0.68 -1.81 0.22 0.00 -0.04 0.00 0.00 33.50 32.55 3h7r n PRO 204 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3h7r n LEU 205 N -2.12 3.38 0.00 1.53 4.77 -1.26 -4.68 117.00 118.61 3h7r n LEU 205 Ca 0.02 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.31 3h7r n LEU 205 Cb 0.22 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3h7r n LEU 205 CO 0.19 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3h7r n GLY 206 N 1.28 0.90 0.00 -0.72 0.00 -0.51 -4.33 105.19 101.81 3h7r n GLY 206 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3h7r n GLY 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h7r n SER 207 N 0.00 0.00 -0.98 1.61 3.41 -1.25 -3.52 113.62 112.89 3h7r n SER 207 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 3h7r n SER 207 Cb 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.19 3h7r n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h7r n GLN 208 N -2.12 2.23 -1.61 4.33 6.02 -1.26 -4.29 117.38 120.68 3h7r n GLN 208 Ca 0.00 -1.91 -0.43 0.00 -0.01 0.00 0.00 57.00 54.64 3h7r n GLN 208 Cb 0.00 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 3h7r n GLN 208 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3h7r n SER 209 N 1.06 1.44 -4.72 1.08 7.64 -1.26 -4.92 113.62 113.93 3h7r n SER 209 Ca 0.18 1.13 -0.32 0.00 1.01 0.00 0.00 58.87 60.87 3h7r n SER 209 Cb 0.45 -1.33 0.11 0.00 -1.01 0.00 0.00 64.21 62.43 3h7r n SER 209 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3h7r s LYS 210 N -1.74 1.86 0.00 1.43 2.20 -1.26 -3.79 119.74 118.44 3h7r s LYS 210 Ca 0.60 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3h7r s LYS 210 Cb -0.63 -1.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3h7r s LYS 210 CO 0.59 -1.99 0.00 0.41 -0.36 0.00 0.00 175.35 174.00 3h7r n GLY 211 N -0.26 0.51 3.53 5.54 0.00 -1.26 -4.13 105.19 109.12 3h7r n GLY 211 Ca 0.11 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 3h7r n GLY 211 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h7r n GLU 212 N -1.85 -4.81 -0.24 1.61 1.02 -1.25 -4.85 120.64 110.27 3h7r n GLU 212 Ca 0.00 0.64 0.14 0.00 -0.02 0.00 0.00 57.16 57.91 3h7r n GLU 212 Cb 0.24 -5.47 0.42 0.00 -0.02 0.00 0.00 31.44 26.62 3h7r n GLU 212 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3h7r h VAL 213 N -1.60 0.80 0.00 2.62 2.07 -1.72 -1.18 116.25 117.24 3h7r h VAL 213 Ca -0.52 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3h7r h VAL 213 Cb 1.35 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3h7r h VAL 213 CO 0.60 0.11 0.04 0.08 0.02 0.00 0.00 177.57 178.42 3h7r h ARG 214 N 0.59 0.00 0.00 1.57 0.11 -1.74 -1.38 114.38 113.53 3h7r h ARG 214 Ca 0.44 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.51 3h7r h ARG 214 Cb 0.81 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.89 3h7r h ARG 214 CO -0.19 0.00 -0.04 -0.07 0.10 0.00 0.00 179.97 179.77 3h7r h LEU 215 N 0.00 0.00 -2.43 0.08 3.38 -1.51 0.13 115.31 114.97 3h7r h LEU 215 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h7r h LEU 215 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3h7r h LEU 215 CO 0.00 0.04 -0.02 0.11 0.09 0.00 0.00 178.44 178.67 3h7r h LYS 216 N 0.00 0.00 0.00 1.13 1.57 -1.45 0.80 116.57 118.62 3h7r h LYS 216 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3h7r h LYS 216 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3h7r h LYS 216 CO 0.01 0.02 -1.57 0.28 -0.57 0.00 0.00 179.45 177.61 3h7r n VAL 217 N -3.23 1.51 0.29 0.50 0.31 -0.24 -3.90 118.33 113.56 3h7r n VAL 217 Ca -0.02 -0.06 0.18 0.00 -0.01 0.00 0.00 64.34 64.43 3h7r n VAL 217 Cb 0.15 -2.17 0.75 0.00 -0.91 0.00 0.00 33.84 31.66 3h7r n VAL 217 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3h7r h LEU 218 N -1.00 0.00 -2.84 7.52 3.38 -1.05 -2.71 115.31 118.61 3h7r h LEU 218 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3h7r h LEU 218 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3h7r h LEU 218 CO -0.16 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.16 3h7r n GLN 219 N -3.10 1.08 -1.78 1.13 6.02 0.27 -4.74 117.38 116.26 3h7r n GLN 219 Ca 0.00 -2.43 -0.41 0.00 -0.01 0.00 0.00 57.00 54.15 3h7r n GLN 219 Cb 0.28 -1.30 -0.00 0.00 1.02 0.00 0.00 30.24 30.24 3h7r n GLN 219 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3h7r s ASN 220 N -2.61 6.32 0.31 1.08 3.84 -1.02 -4.83 114.94 118.04 3h7r s ASN 220 Ca 0.28 3.06 -0.00 0.00 0.21 0.00 0.00 52.86 56.41 3h7r s ASN 220 Cb 0.26 -2.66 0.52 0.00 -0.55 0.00 0.00 41.25 38.81 3h7r s ASN 220 CO -0.00 -0.90 1.97 -0.65 -2.79 0.00 0.00 177.10 174.73 3h7r h PRO 221 N 3.25 1.00 -0.10 0.43 0.11 -1.92 0.23 132.00 135.00 3h7r h PRO 221 Ca -0.50 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 3h7r h PRO 221 Cb 1.24 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3h7r h PRO 221 CO 0.66 0.66 -0.12 0.82 -0.21 0.00 0.00 178.00 179.82 3h7r h ILE 222 N 1.03 1.37 -0.70 4.15 2.04 -1.96 -0.85 117.51 122.59 3h7r h ILE 222 Ca 0.30 -1.30 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3h7r h ILE 222 Cb -0.06 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 3h7r h ILE 222 CO -0.07 0.37 0.38 0.58 0.00 0.00 0.00 178.15 179.40 3h7r h VAL 223 N -0.15 0.91 -0.59 1.67 2.07 -1.82 -0.91 116.25 117.43 3h7r h VAL 223 Ca 0.01 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3h7r h VAL 223 Cb 0.65 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3h7r h VAL 223 CO 0.03 0.12 0.22 0.74 0.02 0.00 0.00 177.57 178.70 3h7r h THR 224 N 0.67 1.23 -0.39 2.57 2.02 -0.87 -0.82 112.91 117.32 3h7r h THR 224 Ca 0.33 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3h7r h THR 224 Cb 0.28 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3h7r h THR 224 CO -0.22 0.29 0.23 -0.08 0.37 0.00 0.00 175.52 176.10 3h7r h GLU 225 N 0.82 0.52 -0.53 6.66 4.81 -0.59 -1.24 114.58 125.03 3h7r h GLU 225 Ca 0.19 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3h7r h GLU 225 Cb 0.23 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3h7r h GLU 225 CO -0.01 0.39 0.04 0.28 -0.73 0.00 0.00 179.01 178.98 3h7r h VAL 226 N 0.51 1.26 -0.40 0.32 2.07 -1.02 -1.11 116.25 117.88 3h7r h VAL 226 Ca 0.14 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.66 3h7r h VAL 226 Cb 0.00 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3h7r h VAL 226 CO -0.03 0.37 0.21 0.00 0.02 0.00 0.00 177.57 178.14 3h7r h ALA 227 N 0.97 0.49 -0.39 1.67 0.00 -1.01 -1.34 119.26 119.65 3h7r h ALA 227 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3h7r h ALA 227 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3h7r h ALA 227 CO 0.02 -0.14 0.22 1.49 0.00 0.00 0.00 179.25 180.84 3h7r h GLU 228 N 0.43 0.54 -0.03 0.00 4.57 -0.97 -0.85 114.58 118.26 3h7r h GLU 228 Ca 0.16 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3h7r h GLU 228 Cb 0.05 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3h7r h GLU 228 CO -0.10 0.42 -0.31 0.87 -1.18 0.00 0.00 179.01 178.71 3h7r h LYS 229 N 0.50 0.05 -0.01 1.92 1.57 -0.87 -3.08 116.57 116.65 3h7r h LYS 229 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3h7r h LYS 229 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3h7r h LYS 229 CO -0.02 0.36 -0.63 1.28 -0.57 0.00 0.00 179.45 179.86 3h7r n LEU 230 N -4.16 1.45 -2.01 2.94 4.77 -0.53 -4.98 117.00 114.47 3h7r n LEU 230 Ca -0.02 -0.55 -0.13 0.00 -0.03 0.00 0.00 56.01 55.27 3h7r n LEU 230 Cb 0.36 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3h7r n LEU 230 CO 0.38 0.29 0.05 0.61 -1.33 0.00 0.00 177.39 177.40 3h7r n GLY 231 N 1.44 0.02 3.44 -0.72 0.00 -0.41 -5.04 105.19 103.92 3h7r n GLY 231 Ca 0.08 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3h7r n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h7r s LYS 232 N -5.40 1.59 0.75 1.61 -0.14 -0.70 -5.05 119.74 112.40 3h7r s LYS 232 Ca 0.23 -1.82 -0.11 0.00 -1.36 0.00 0.00 55.97 52.91 3h7r s LYS 232 Cb -0.10 -1.18 0.04 0.00 -1.68 0.00 0.00 37.83 34.91 3h7r s LYS 232 CO 0.29 0.02 1.10 0.95 -0.76 0.00 0.00 175.35 176.95 3h7r s THR 233 N -3.00 3.23 0.31 2.17 -4.23 -1.26 -4.40 115.64 108.45 3h7r s THR 233 Ca 0.30 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 61.27 3h7r s THR 233 Cb 0.04 -3.28 0.07 0.00 1.34 0.00 0.00 72.50 70.68 3h7r s THR 233 CO 0.13 -0.52 1.75 0.71 -0.54 0.00 0.00 174.62 176.15 3h7r h THR 234 N -0.87 1.27 -0.32 3.99 1.35 -1.88 -1.49 112.91 114.96 3h7r h THR 234 Ca -0.46 -1.29 -0.01 0.00 -0.55 0.00 0.00 66.41 64.11 3h7r h THR 234 Cb 1.26 1.47 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 3h7r h THR 234 CO 0.62 0.39 0.18 0.00 -0.25 0.00 0.00 175.52 176.46 3h7r h ALA 235 N 1.40 0.41 -0.69 6.62 0.00 -1.93 0.16 119.26 125.23 3h7r h ALA 235 Ca 0.04 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3h7r h ALA 235 Cb 0.68 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3h7r h ALA 235 CO 0.05 -0.06 0.39 1.96 0.00 0.00 0.00 179.25 181.60 3h7r h GLN 236 N 0.40 0.71 -0.35 0.00 4.20 -1.80 -1.16 115.11 117.10 3h7r h GLN 236 Ca 0.11 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 3h7r h GLN 236 Cb 0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3h7r h GLN 236 CO -0.02 0.47 -0.04 0.28 -0.67 0.00 0.00 178.83 178.85 3h7r h VAL 237 N 0.73 1.27 -0.74 -0.54 2.07 -1.02 0.32 116.25 118.35 3h7r h VAL 237 Ca 0.30 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.81 3h7r h VAL 237 Cb 0.17 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3h7r h VAL 237 CO -0.17 0.35 0.44 0.00 0.02 0.00 0.00 177.57 178.21 3h7r h ALA 238 N 0.84 1.00 -0.13 1.67 0.00 -0.65 0.15 119.26 122.13 3h7r h ALA 238 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3h7r h ALA 238 Cb 0.52 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3h7r h ALA 238 CO 0.03 0.17 -0.20 -0.07 0.00 0.00 0.00 179.25 179.18 3h7r h LEU 239 N 0.83 0.40 -0.98 0.00 3.38 -1.07 -2.37 115.31 115.51 3h7r h LEU 239 Ca 0.32 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3h7r h LEU 239 Cb 0.13 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3h7r h LEU 239 CO -0.16 0.85 0.44 -0.09 0.09 0.00 0.00 178.44 179.57 3h7r h ARG 240 N -0.03 1.17 -0.60 1.13 9.65 -0.75 -1.66 114.38 123.28 3h7r h ARG 240 Ca 0.01 -0.14 0.09 0.00 -1.10 0.00 0.00 59.98 58.84 3h7r h ARG 240 Cb 0.76 -0.23 -0.07 0.00 -1.39 0.00 0.00 29.97 29.05 3h7r h ARG 240 CO 0.05 0.86 0.25 2.35 2.80 0.00 0.00 179.97 186.27 3h7r h TRP 241 N 1.17 0.43 -0.31 2.20 7.01 -0.63 -0.73 115.95 125.09 3h7r h TRP 241 Ca 0.29 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.30 3h7r h TRP 241 Cb 0.04 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 3h7r h TRP 241 CO 0.01 0.13 0.11 0.78 -2.79 0.00 0.00 178.44 176.68 3h7r h GLY 242 N 0.44 0.50 0.81 2.65 0.00 -0.83 -1.38 103.07 105.26 3h7r h GLY 242 Ca 0.30 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3h7r h GLY 242 CO -0.28 0.27 0.42 1.41 0.00 0.00 0.00 176.54 178.35 3h7r h LEU 243 N 0.34 0.66 -1.57 3.11 3.38 -0.98 -1.87 115.31 118.38 3h7r h LEU 243 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3h7r h LEU 243 Cb 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3h7r h LEU 243 CO -0.01 0.45 -0.06 1.56 0.09 0.00 0.00 178.44 180.47 3h7r h GLN 244 N 0.80 0.00 -0.00 1.13 4.20 -0.93 -1.19 115.11 119.12 3h7r h GLN 244 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3h7r h GLN 244 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3h7r h GLN 244 CO -0.13 0.06 -0.11 2.41 -0.67 0.00 0.00 178.83 180.39 3h7r n THR 245 N -3.21 0.00 -0.41 -0.54 -1.04 -0.54 -4.95 114.28 103.59 3h7r n THR 245 Ca -0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3h7r n THR 245 Cb 0.30 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 3h7r n THR 245 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h7r n GLY 246 N 1.37 0.92 3.37 3.41 0.00 -0.45 -5.08 105.19 108.74 3h7r n GLY 246 Ca 0.11 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 3h7r n GLY 246 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3h7r s HIS 247 N -2.00 2.03 0.79 1.61 -3.43 -1.13 -4.73 115.29 108.43 3h7r s HIS 247 Ca 0.00 -0.42 -0.11 0.00 -0.80 0.00 0.00 55.06 53.73 3h7r s HIS 247 Cb 0.00 -1.00 0.07 0.00 -1.43 0.00 0.00 32.58 30.22 3h7r s HIS 247 CO 0.00 0.41 1.09 -1.54 -2.00 0.00 0.00 174.74 172.70 3h7r s SER 248 N -2.69 4.35 0.00 7.38 1.04 -1.19 -3.77 113.70 118.83 3h7r s SER 248 Ca 0.18 1.71 0.05 0.00 0.48 0.00 0.00 55.95 58.37 3h7r s SER 248 Cb -0.07 -2.42 -0.01 0.00 0.10 0.00 0.00 66.02 63.62 3h7r s SER 248 CO 0.08 -2.11 -0.15 0.68 0.98 0.00 0.00 173.24 172.72 3h7r s VAL 249 N -2.93 1.20 -0.49 5.02 -7.23 -0.66 -0.34 120.40 114.97 3h7r s VAL 249 Ca 0.61 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 60.07 3h7r s VAL 249 Cb -0.17 -1.02 0.39 0.00 0.56 0.00 0.00 36.38 36.14 3h7r s VAL 249 CO 0.56 0.25 1.08 0.18 -0.31 0.00 0.00 175.10 176.86 3h7r n LEU 250 N 2.46 4.70 -4.76 1.32 4.77 -1.00 -0.91 117.00 123.57 3h7r n LEU 250 Ca -0.15 -5.36 -0.41 0.00 -0.03 0.00 0.00 56.01 50.06 3h7r n LEU 250 Cb 0.55 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3h7r n LEU 250 CO 0.24 2.27 1.11 -2.16 -1.33 0.00 0.00 177.39 177.51 3h7r s PRO 251 N -3.53 4.21 -0.13 3.23 0.04 -1.12 -2.89 135.00 134.80 3h7r s PRO 251 Ca 0.48 2.42 -0.04 0.00 0.04 0.00 0.00 61.00 63.90 3h7r s PRO 251 Cb 0.36 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 3h7r s PRO 251 CO -0.18 -0.43 0.02 0.21 0.04 0.00 0.00 177.00 176.66 3h7r s LYS 252 N -1.36 3.49 -0.16 4.56 2.36 -1.26 -1.23 119.74 126.14 3h7r s LYS 252 Ca 0.55 -0.39 -0.15 0.00 -2.55 0.00 0.00 55.97 53.43 3h7r s LYS 252 Cb -0.44 -2.99 0.04 0.00 -1.05 0.00 0.00 37.83 33.39 3h7r s LYS 252 CO 0.53 0.47 0.43 0.45 1.55 0.00 0.00 175.35 178.79 3h7r s SER 253 N -0.23 -0.45 0.00 1.43 0.15 -1.26 -4.97 113.70 108.37 3h7r s SER 253 Ca 0.06 0.85 0.28 0.00 0.70 0.00 0.00 55.95 57.84 3h7r s SER 253 Cb -0.12 0.87 1.10 0.00 -1.71 0.00 0.00 66.02 66.15 3h7r s SER 253 CO 0.02 -0.17 1.81 -1.20 1.20 0.00 0.00 173.24 174.90 3h7r n SER 254 N 2.76 0.22 -4.66 5.45 7.64 -1.26 -4.81 113.62 118.97 3h7r n SER 254 Ca -0.14 0.02 -0.36 0.00 1.01 0.00 0.00 58.87 59.41 3h7r n SER 254 Cb 0.57 -0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.47 3h7r n SER 254 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3h7r s SER 255 N -2.84 6.00 0.24 6.43 0.15 -1.26 -4.87 113.70 117.55 3h7r s SER 255 Ca 0.18 0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 3h7r s SER 255 Cb 0.19 -2.07 0.38 0.00 -1.71 0.00 0.00 66.02 62.82 3h7r s SER 255 CO 0.55 0.10 1.79 1.23 1.20 0.00 0.00 173.24 178.11 3h7r h GLY 256 N 7.22 1.19 0.97 9.45 0.00 -1.96 0.98 103.07 120.92 3h7r h GLY 256 Ca -0.38 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 46.69 3h7r h GLY 256 CO 0.68 0.07 0.26 0.00 0.00 0.00 0.00 176.54 177.55 3h7r h ALA 257 N 1.46 0.51 -0.14 3.60 0.00 -2.00 -1.57 119.26 121.13 3h7r h ALA 257 Ca 0.38 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 3h7r h ALA 257 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h7r h ALA 257 CO -0.27 -0.05 -0.56 0.00 0.00 0.00 0.00 179.25 178.37 3h7r h ARG 258 N 0.53 0.41 -0.40 0.00 3.08 -1.84 -1.48 114.38 114.68 3h7r h ARG 258 Ca 0.15 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.99 3h7r h ARG 258 Cb -0.04 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3h7r h ARG 258 CO -0.05 0.86 0.14 -0.07 -1.07 0.00 0.00 179.97 179.78 3h7r h LEU 259 N 0.31 0.14 -0.15 3.04 3.38 -0.58 0.31 115.31 121.77 3h7r h LEU 259 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h7r h LEU 259 Cb 1.07 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3h7r h LEU 259 CO 0.10 0.12 0.09 0.50 0.09 0.00 0.00 178.44 179.33 3h7r h LYS 260 N 0.29 0.20 -0.81 1.13 3.11 -1.17 -3.02 116.57 116.31 3h7r h LYS 260 Ca 0.18 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 3h7r h LYS 260 Cb 0.17 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.32 3h7r h LYS 260 CO -0.19 0.19 0.51 0.93 -2.81 0.00 0.00 179.45 178.08 3h7r h GLU 261 N 0.16 1.08 0.00 1.90 5.08 -0.87 -2.52 114.58 119.40 3h7r h GLU 261 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3h7r h GLU 261 Cb 0.04 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3h7r h GLU 261 CO -0.01 0.73 0.00 -0.91 -1.00 0.00 0.00 179.01 177.82 3h7r h ASN 262 N 1.10 0.00 1.03 1.42 2.35 -0.82 -1.91 115.58 118.75 3h7r h ASN 262 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3h7r h ASN 262 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 3h7r h ASN 262 CO -0.06 0.00 -0.32 0.18 -1.65 0.00 0.00 177.43 175.58 3h7r n LEU 263 N -2.52 0.61 -3.62 1.61 4.77 -0.95 -4.59 117.00 112.31 3h7r n LEU 263 Ca 0.02 0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.94 3h7r n LEU 263 Cb 0.27 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3h7r n LEU 263 CO 0.23 -0.06 2.71 -0.67 -1.33 0.00 0.00 177.39 178.27 3h7r n ASP 264 N -1.98 5.74 -0.51 -1.43 -0.08 -0.72 -4.34 116.55 113.23 3h7r n ASP 264 Ca 0.05 -2.85 0.02 0.00 -1.51 0.00 0.00 54.79 50.50 3h7r n ASP 264 Cb 0.41 -1.57 0.03 0.00 2.34 0.00 0.00 41.12 42.33 3h7r n ASP 264 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3h7r n VAL 265 N 4.07 0.41 -0.04 5.18 0.24 -1.26 -4.88 118.33 122.05 3h7r n VAL 265 Ca 0.58 -0.60 -0.04 0.00 -2.04 0.00 0.00 64.34 62.24 3h7r n VAL 265 Cb 0.33 0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 33.04 3h7r n VAL 265 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3h7r n PHE 266 N -0.26 0.00 1.19 6.34 3.01 -1.26 -4.75 117.46 121.73 3h7r n PHE 266 Ca 0.04 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.62 3h7r n PHE 266 Cb 0.73 -0.32 0.38 0.00 -0.01 0.00 0.00 39.48 40.26 3h7r n PHE 266 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3h7r n ASP 267 N -2.43 1.89 -4.06 4.37 8.00 -1.26 -4.87 116.55 118.18 3h7r n ASP 267 Ca -0.12 -1.70 -0.10 0.00 0.71 0.00 0.00 54.79 53.58 3h7r n ASP 267 Cb 0.69 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.63 3h7r n ASP 267 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 3h7r s TRP 268 N -1.83 0.64 0.19 1.24 1.48 -1.26 -5.18 118.94 114.21 3h7r s TRP 268 Ca 0.34 -0.96 -0.06 0.00 -1.06 0.00 0.00 56.10 54.37 3h7r s TRP 268 Cb 0.19 -0.13 -0.02 0.00 -1.16 0.00 0.00 33.47 32.34 3h7r s TRP 268 CO 0.29 -0.79 0.23 -1.54 -4.06 0.00 0.00 176.95 171.08 3h7r s SER 269 N -3.05 0.10 -0.30 -2.66 1.04 -1.26 -4.96 113.70 102.60 3h7r s SER 269 Ca 0.26 -1.11 -0.18 0.00 0.48 0.00 0.00 55.95 55.40 3h7r s SER 269 Cb 0.03 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 3h7r s SER 269 CO 0.07 -0.90 0.52 -0.63 0.98 0.00 0.00 173.24 173.28 3h7r s ILE 270 N -4.05 5.04 0.69 -1.02 1.01 -1.26 -5.07 121.20 116.53 3h7r s ILE 270 Ca 0.26 0.63 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 3h7r s ILE 270 Cb 0.04 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.63 3h7r s ILE 270 CO 0.06 -0.06 1.17 -2.16 0.00 0.00 0.00 174.94 173.95 3h7r s PRO 271 N 2.37 2.48 0.35 2.79 0.04 -1.26 -4.64 135.00 137.13 3h7r s PRO 271 Ca 0.20 1.64 0.06 0.00 0.04 0.00 0.00 61.00 62.94 3h7r s PRO 271 Cb -0.15 -1.89 0.72 0.00 0.04 0.00 0.00 34.50 33.22 3h7r s PRO 271 CO 0.11 -1.55 1.95 1.49 0.04 0.00 0.00 177.00 179.04 3h7r h GLU 272 N -0.02 0.76 0.00 4.56 4.57 -1.97 0.13 114.58 122.60 3h7r h GLU 272 Ca -0.48 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.62 3h7r h GLU 272 Cb 1.28 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3h7r h GLU 272 CO 0.52 0.50 -0.17 0.38 -1.18 0.00 0.00 179.01 179.06 3h7r h ASP 273 N 0.78 0.00 0.24 1.04 2.03 -2.01 -0.57 116.42 117.94 3h7r h ASP 273 Ca 0.33 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 56.29 3h7r h ASP 273 Cb 0.29 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.77 3h7r h ASP 273 CO -0.12 0.17 -1.85 -0.07 -1.03 0.00 0.00 179.24 176.35 3h7r h LEU 274 N 0.00 0.37 -1.16 0.15 3.38 -1.60 -3.38 115.31 113.08 3h7r h LEU 274 Ca -0.00 -0.73 0.03 0.00 0.09 0.00 0.00 57.88 57.26 3h7r h LEU 274 Cb 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3h7r h LEU 274 CO 0.02 1.65 0.57 0.15 0.09 0.00 0.00 178.44 180.92 3h7r h PHE 275 N 0.06 1.07 0.00 1.13 3.57 -0.33 -1.75 116.94 120.69 3h7r h PHE 275 Ca -0.36 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.12 3h7r h PHE 275 Cb 2.04 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 3h7r h PHE 275 CO 0.07 0.64 -0.18 0.00 -2.23 0.00 0.00 178.31 176.61 3h7r h THR 276 N 1.12 0.73 0.00 4.41 1.03 -1.30 -2.89 112.91 116.01 3h7r h THR 276 Ca 0.34 -0.73 -0.01 0.00 -0.01 0.00 0.00 66.41 66.00 3h7r h THR 276 Cb -0.04 1.45 -0.00 0.00 -1.07 0.00 0.00 68.15 68.49 3h7r h THR 276 CO -0.09 0.17 -0.04 0.11 -0.01 0.00 0.00 175.52 175.66 3h7r h LYS 277 N 0.00 0.00 0.00 0.00 1.57 -1.48 -2.39 116.57 114.27 3h7r h LYS 277 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h7r h LYS 277 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3h7r h LYS 277 CO 0.02 0.04 0.00 0.74 -0.57 0.00 0.00 179.45 179.69 3h7r h PHE 278 N 0.00 0.00 0.00 -1.35 -1.00 -1.63 -2.78 116.94 110.18 3h7r h PHE 278 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3h7r h PHE 278 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 3h7r h PHE 278 CO 0.00 0.00 0.00 0.77 -1.61 0.00 0.00 178.31 177.47 3h7r h SER 279 N 0.00 0.00 -0.47 2.17 0.02 -1.65 -2.86 113.55 110.76 3h7r h SER 279 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h7r h SER 279 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3h7r h SER 279 CO 0.00 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 172.49 3h7r n ASN 280 N -2.50 3.30 -4.71 3.07 5.15 -1.05 -4.94 115.26 113.58 3h7r n ASN 280 Ca 0.01 -1.97 -0.42 0.00 -0.60 0.00 0.00 54.58 51.60 3h7r n ASN 280 Cb 0.19 -0.31 -0.03 0.00 -0.53 0.00 0.00 39.78 39.11 3h7r n ASN 280 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h7r s ILE 281 N -1.39 4.45 0.42 -1.44 1.01 -1.08 -5.00 121.20 118.18 3h7r s ILE 281 Ca 0.40 1.76 -0.26 0.00 0.00 0.00 0.00 60.65 62.54 3h7r s ILE 281 Cb 0.22 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 3h7r s ILE 281 CO 0.31 0.12 1.47 -2.65 0.00 0.00 0.00 174.94 174.18 3h7r n PRO 282 N 4.07 2.45 -4.10 2.79 -0.02 -1.26 -4.95 135.00 133.98 3h7r n PRO 282 Ca 0.08 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 62.08 3h7r n PRO 282 Cb 0.48 -2.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.21 3h7r n PRO 282 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h7r s GLN 283 N -2.32 3.64 -0.23 -0.52 -1.52 -1.26 -4.69 119.66 112.77 3h7r s GLN 283 Ca 0.58 -0.34 -0.21 0.00 -1.95 0.00 0.00 55.36 53.44 3h7r s GLN 283 Cb -0.46 -3.09 0.06 0.00 -0.22 0.00 0.00 33.01 29.30 3h7r s GLN 283 CO 0.60 0.45 0.60 -2.00 -0.25 0.00 0.00 175.29 174.69 3h7r s GLU 284 N -0.15 0.69 -0.18 2.91 2.12 0.10 -5.02 118.70 119.17 3h7r s GLU 284 Ca 0.07 0.84 -0.12 0.00 0.36 0.00 0.00 54.97 56.12 3h7r s GLU 284 Cb -0.12 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.55 3h7r s GLU 284 CO 0.01 -0.09 0.20 0.21 -0.54 0.00 0.00 175.26 175.06 3h7r s LYS 285 N 0.36 4.19 -0.10 4.30 2.20 -1.26 -4.24 119.74 125.20 3h7r s LYS 285 Ca -0.00 -0.07 0.07 0.00 -0.36 0.00 0.00 55.97 55.61 3h7r s LYS 285 Cb -0.04 -3.41 -0.24 0.00 -1.51 0.00 0.00 37.83 32.63 3h7r s LYS 285 CO 0.00 0.29 0.45 1.19 -0.36 0.00 0.00 175.35 176.92 3h7r n PHE 286 N 3.48 0.88 -3.26 4.03 3.72 -1.26 -4.65 117.46 120.40 3h7r n PHE 286 Ca -0.14 0.27 -0.46 0.00 -0.05 0.00 0.00 57.45 57.06 3h7r n PHE 286 Cb 0.52 -1.14 -0.03 0.00 -0.94 0.00 0.00 39.48 37.88 3h7r n PHE 286 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h7r n ARG 288 N 4.83 0.45 -3.36 0.00 1.74 -1.26 -4.98 116.66 114.08 3h7r n ARG 288 Ca 0.05 0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.92 3h7r n ARG 288 Cb 0.45 -1.67 0.06 0.00 -1.02 0.00 0.00 32.46 30.28 3h7r n ARG 288 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h7r n ALA 289 N -2.01 -1.15 0.20 7.54 0.00 -1.26 -4.87 120.51 118.95 3h7r n ALA 289 Ca 0.01 0.36 0.15 0.00 0.00 0.00 0.00 53.44 53.95 3h7r n ALA 289 Cb 0.50 -4.83 0.77 0.00 0.00 0.00 0.00 19.45 15.88 3h7r n ALA 289 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3h7r h THR 290 N -2.18 0.68 0.00 0.00 1.35 -1.93 -1.62 112.91 109.20 3h7r h THR 290 Ca -0.54 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3h7r h THR 290 Cb 1.36 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3h7r h THR 290 CO 0.54 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.19 3h7r n GLU 291 N -4.12 0.17 -0.31 4.72 4.71 -1.26 -2.50 120.64 122.05 3h7r n GLU 291 Ca 0.01 0.35 0.11 0.00 -0.01 0.00 0.00 57.16 57.62 3h7r n GLU 291 Cb 0.27 -1.80 0.28 0.00 -1.01 0.00 0.00 31.44 29.18 3h7r n GLU 291 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3h7r n PHE 292 N -2.12 0.81 -4.17 -0.32 3.01 -0.61 -4.40 117.46 109.66 3h7r n PHE 292 Ca 0.03 -0.45 -0.16 0.00 1.01 0.00 0.00 57.45 57.88 3h7r n PHE 292 Cb 0.26 -0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.60 3h7r n PHE 292 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h7r s ALA 293 N -1.08 0.85 -0.28 4.37 0.00 -1.04 -4.53 121.76 120.05 3h7r s ALA 293 Ca 0.43 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 3h7r s ALA 293 Cb 0.23 -0.07 0.08 0.00 0.00 0.00 0.00 23.12 23.37 3h7r s ALA 293 CO 0.30 0.10 0.74 -1.58 0.00 0.00 0.00 175.76 175.33 3h7r s HIS 294 N -1.07 -0.87 0.38 0.00 2.46 -0.44 -4.88 115.29 110.86 3h7r s HIS 294 Ca -0.04 1.92 0.27 0.00 0.47 0.00 0.00 55.06 57.68 3h7r s HIS 294 Cb -0.09 0.42 1.36 0.00 -0.13 0.00 0.00 32.58 34.15 3h7r s HIS 294 CO 0.01 -0.42 2.03 0.93 -2.47 0.00 0.00 174.74 174.82 3h7r h GLU 295 N 5.76 0.00 0.00 2.88 5.08 -1.71 -1.35 114.58 125.24 3h7r h GLU 295 Ca -0.29 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.75 3h7r h GLU 295 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 3h7r h GLU 295 CO 0.10 0.14 -2.09 2.41 -1.00 0.00 0.00 179.01 178.57 3h7r n THR 296 N -3.61 1.08 0.90 1.13 -1.04 -1.26 -4.78 114.28 106.69 3h7r n THR 296 Ca -0.02 -0.31 0.09 0.00 -2.04 0.00 0.00 64.05 61.77 3h7r n THR 296 Cb 0.27 -1.59 -0.10 0.00 -1.82 0.00 0.00 70.33 67.08 3h7r n THR 296 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3h7r n HIS 297 N -3.64 0.00 -2.54 -1.42 8.25 -1.24 -4.99 115.22 109.64 3h7r n HIS 297 Ca -0.37 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.82 3h7r n HIS 297 Cb 0.80 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.92 3h7r n HIS 297 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3h7r s GLY 298 N -2.77 1.55 -0.08 -1.41 0.00 -0.51 -4.67 107.32 99.43 3h7r s GLY 298 Ca 0.08 -0.59 -0.12 0.00 0.00 0.00 0.00 44.72 44.09 3h7r s GLY 298 CO 0.77 -0.38 0.45 -2.75 0.00 0.00 0.00 173.10 171.19 3h7r h PHE 299 N 0.07 -0.18 -3.01 1.90 3.57 -1.83 -3.43 116.94 114.03 3h7r h PHE 299 Ca -0.46 -0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.48 3h7r h PHE 299 Cb 1.23 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 3h7r h PHE 299 CO 0.54 0.08 0.77 0.71 -2.23 0.00 0.00 178.31 178.18 3h7r s TYR 300 N -2.53 3.03 -0.07 0.41 1.51 -1.26 -4.92 117.35 113.52 3h7r s TYR 300 Ca -0.07 1.08 0.13 0.00 -1.01 0.00 0.00 57.07 57.20 3h7r s TYR 300 Cb -0.00 -3.49 -0.08 0.00 -0.11 0.00 0.00 41.96 38.27 3h7r s TYR 300 CO 0.25 -1.66 1.19 0.87 -1.11 0.00 0.00 175.55 175.08 3h7r h LYS 301 N 7.72 0.00 -4.13 -0.62 1.79 -1.83 -1.16 116.57 118.34 3h7r h LYS 301 Ca -0.33 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.01 3h7r h LYS 301 Cb 1.15 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.66 3h7r h LYS 301 CO 0.90 0.58 -0.56 0.95 -1.08 0.00 0.00 179.45 180.25 3h7r s THR 302 N -2.85 0.16 0.37 -0.16 -4.23 -1.26 -2.18 115.64 105.49 3h7r s THR 302 Ca 0.01 -1.63 0.17 0.00 -1.18 0.00 0.00 61.69 59.06 3h7r s THR 302 Cb 0.08 -1.62 0.16 0.00 1.34 0.00 0.00 72.50 72.47 3h7r s THR 302 CO 0.79 -0.73 1.90 0.16 -0.54 0.00 0.00 174.62 176.19 3h7r h ILE 303 N 2.93 1.03 -0.62 2.99 3.07 -1.90 -2.25 117.51 122.76 3h7r h ILE 303 Ca -0.34 -1.03 -0.03 0.00 1.55 0.00 0.00 64.86 65.01 3h7r h ILE 303 Cb 1.18 1.58 -0.03 0.00 -0.27 0.00 0.00 36.82 39.28 3h7r h ILE 303 CO 0.60 0.28 0.27 -0.33 -1.05 0.00 0.00 178.15 177.92 3h7r h GLU 304 N 0.00 0.89 -0.24 0.16 3.07 -1.96 -0.68 114.58 115.82 3h7r h GLU 304 Ca -0.00 -0.13 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 3h7r h GLU 304 Cb 0.56 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3h7r h GLU 304 CO 0.04 0.71 0.06 0.93 -1.40 0.00 0.00 179.01 179.35 3h7r h GLU 305 N 0.88 0.38 -0.81 2.33 5.08 -1.85 0.16 114.58 120.75 3h7r h GLU 305 Ca 0.21 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3h7r h GLU 305 Cb 0.13 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3h7r h GLU 305 CO -0.02 0.48 0.51 1.25 -1.00 0.00 0.00 179.01 180.22 3h7r h LEU 306 N 0.21 0.83 -1.12 1.33 6.46 -0.83 -1.81 115.31 120.37 3h7r h LEU 306 Ca 0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3h7r h LEU 306 Cb 0.27 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3h7r h LEU 306 CO 0.00 0.57 0.00 0.79 -0.62 0.00 0.00 178.44 179.18 3h7r n TRP 307 N -4.60 0.19 -4.13 1.25 7.02 -0.32 -4.76 117.44 112.08 3h7r n TRP 307 Ca 0.10 -0.09 -0.31 0.00 -1.02 0.00 0.00 57.50 56.17 3h7r n TRP 307 Cb 0.11 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.96 3h7r n TRP 307 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3h7r n ASP 308 N 0.34 -1.53 0.00 -0.99 8.00 -0.38 -1.06 116.55 120.92 3h7r n ASP 308 Ca 0.17 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3h7r n ASP 308 Cb 0.34 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 3h7r n ASP 308 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h7r n GLY 309 N -1.77 1.58 2.67 0.44 0.00 0.41 -4.94 105.19 103.59 3h7r n GLY 309 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3h7r n GLY 309 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h7r n GLU 310 N -2.00 3.52 0.00 1.61 1.02 -0.23 -5.07 120.64 119.49 3h7r n GLU 310 Ca 0.00 -3.00 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 3h7r n GLU 310 Cb 0.00 -2.99 0.00 0.00 -0.02 0.00 0.00 31.44 28.43 3h7r n GLU 310 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82