#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9r h VAL 3 N 0.00 0.29 -3.26 2.46 -1.51 -1.98 -3.42 116.25 108.83 1s9r h VAL 3 Ca 0.00 -0.74 -0.57 0.00 -1.23 0.00 0.00 66.70 64.16 1s9r h VAL 3 Cb 0.00 1.57 -0.06 0.00 -2.13 0.00 0.00 31.29 30.68 1s9r h VAL 3 CO 0.00 0.10 -0.06 -0.36 -1.23 0.00 0.00 177.57 176.03 1s9r s PHE 4 N -3.75 3.68 0.96 5.19 0.40 -1.26 -4.73 117.98 118.47 1s9r s PHE 4 Ca 0.00 1.14 -0.13 0.00 -0.60 0.00 0.00 56.93 57.34 1s9r s PHE 4 Cb 0.10 -2.55 0.17 0.00 0.51 0.00 0.00 43.02 41.25 1s9r s PHE 4 CO 0.58 0.39 1.14 0.16 0.70 0.00 0.00 175.22 178.20 1s9r s ASP 5 N -0.31 3.08 0.26 1.36 1.47 -1.26 -4.95 116.67 116.33 1s9r s ASP 5 Ca 0.29 0.90 -0.02 0.00 1.18 0.00 0.00 52.55 54.90 1s9r s ASP 5 Cb -0.18 -1.41 0.52 0.00 -0.34 0.00 0.00 42.92 41.51 1s9r s ASP 5 CO 0.16 -2.81 1.76 -1.28 0.68 0.00 0.00 175.17 173.68 1s9r h SER 6 N -1.68 0.50 1.62 2.11 0.87 -1.97 -2.86 113.55 112.14 1s9r h SER 6 Ca -0.50 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1s9r h SER 6 Cb 1.32 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1s9r h SER 6 CO 0.57 0.21 0.00 0.07 -0.53 0.00 0.00 176.83 177.15 1s9r h LYS 7 N 0.61 0.00 -6.35 2.24 2.10 -2.03 -3.45 116.57 109.69 1s9r h LYS 7 Ca 0.45 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.51 1s9r h LYS 7 Cb 0.64 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.99 1s9r h LYS 7 CO -0.36 0.00 1.06 0.34 -2.00 0.00 0.00 179.45 178.49 1s9r n PHE 8 N -3.05 2.37 -2.46 0.07 7.35 -1.08 -4.83 117.46 115.82 1s9r n PHE 8 Ca 0.03 -0.02 -0.03 0.00 -0.76 0.00 0.00 57.45 56.67 1s9r n PHE 8 Cb 0.44 -2.67 0.05 0.00 0.35 0.00 0.00 39.48 37.66 1s9r n PHE 8 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1s9r n LYS 9 N 6.05 1.68 0.00 -4.13 2.85 -1.26 -4.97 118.16 118.38 1s9r n LYS 9 Ca 0.21 -3.26 0.00 0.00 -1.05 0.00 0.00 58.31 54.21 1s9r n LYS 9 Cb 0.32 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1s9r n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1s9r n GLY 10 N -0.41 2.36 3.74 2.58 0.00 -1.26 -5.02 105.19 107.17 1s9r n GLY 10 Ca 0.15 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1s9r n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9r s ILE 11 N -2.07 2.30 -0.47 -0.61 -1.09 -1.26 -4.76 121.20 113.23 1s9r s ILE 11 Ca 0.00 0.23 0.06 0.00 -2.23 0.00 0.00 60.65 58.72 1s9r s ILE 11 Cb 0.00 -3.15 0.20 0.00 -1.58 0.00 0.00 42.46 37.93 1s9r s ILE 11 CO 0.00 0.03 0.66 1.57 -1.23 0.00 0.00 174.94 175.96 1s9r n HIS 12 N 2.95 -2.72 -3.85 3.97 -0.00 -0.33 -4.25 115.22 110.99 1s9r n HIS 12 Ca 0.11 -2.12 -0.30 0.00 0.46 0.00 0.00 57.72 55.86 1s9r n HIS 12 Cb 0.38 1.03 -0.15 0.00 -0.12 0.00 0.00 29.99 31.13 1s9r n HIS 12 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1s9r s VAL 13 N 0.43 1.48 -0.31 3.57 1.01 0.50 -0.82 120.40 126.25 1s9r s VAL 13 Ca 0.32 -1.86 0.12 0.00 0.00 0.00 0.00 61.98 60.55 1s9r s VAL 13 Cb 0.08 -2.10 0.29 0.00 0.00 0.00 0.00 36.38 34.65 1s9r s VAL 13 CO -0.13 -0.66 1.22 -1.22 0.00 0.00 0.00 175.10 174.30 1s9r n TYR 14 N 4.52 0.38 -3.83 5.22 4.02 -1.26 -0.79 117.16 125.41 1s9r n TYR 14 Ca 0.01 -0.73 -0.06 0.00 -0.01 0.00 0.00 57.90 57.11 1s9r n TYR 14 Cb 0.41 -0.14 0.01 0.00 -0.02 0.00 0.00 39.34 39.60 1s9r n TYR 14 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1s9r s SER 15 N -1.72 -0.09 0.00 7.72 1.04 -1.24 -3.65 113.70 115.77 1s9r s SER 15 Ca 0.25 -0.80 0.22 0.00 0.48 0.00 0.00 55.95 56.10 1s9r s SER 15 Cb 0.19 0.70 0.06 0.00 0.10 0.00 0.00 66.02 67.06 1s9r s SER 15 CO 0.07 -1.35 1.11 -0.62 0.98 0.00 0.00 173.24 173.44 1s9r n GLU 16 N -0.54 1.60 0.00 4.02 -0.58 -0.90 -4.64 120.64 119.60 1s9r n GLU 16 Ca -0.06 -1.28 0.00 0.00 -0.42 0.00 0.00 57.16 55.40 1s9r n GLU 16 Cb 0.60 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 1s9r n GLU 16 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1s9r n ILE 17 N 0.43 0.00 -1.41 -3.67 -5.35 -1.26 -4.43 119.36 103.66 1s9r n ILE 17 Ca 0.10 -0.16 -0.35 0.00 -0.27 0.00 0.00 62.75 62.07 1s9r n ILE 17 Cb 0.49 1.14 0.10 0.00 -1.74 0.00 0.00 39.64 39.62 1s9r n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s9r n GLY 18 N 0.26 0.17 3.68 3.28 0.00 -1.26 -1.53 105.19 109.78 1s9r n GLY 18 Ca 0.00 -0.32 -0.51 0.00 0.00 0.00 0.00 46.02 45.19 1s9r n GLY 18 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s9r n GLU 19 N -2.47 1.76 -2.33 1.61 2.13 -1.25 -4.38 120.64 115.70 1s9r n GLU 19 Ca 0.15 0.64 -0.42 0.00 0.66 0.00 0.00 57.16 58.19 1s9r n GLU 19 Cb 0.49 -2.41 -0.03 0.00 0.27 0.00 0.00 31.44 29.76 1s9r n GLU 19 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1s9r s LEU 20 N 3.33 4.36 -0.19 4.31 2.96 0.51 -0.51 118.68 133.45 1s9r s LEU 20 Ca 0.93 2.11 -0.08 0.00 -0.22 0.00 0.00 54.13 56.87 1s9r s LEU 20 Cb -0.84 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.18 1s9r s LEU 20 CO 0.55 -0.55 -0.24 -0.62 -1.32 0.00 0.00 176.35 174.16 1s9r n GLU 21 N 4.12 0.42 -4.15 1.98 1.02 0.04 -4.62 120.64 119.46 1s9r n GLU 21 Ca 0.10 0.17 -0.15 0.00 -0.02 0.00 0.00 57.16 57.26 1s9r n GLU 21 Cb 0.45 -1.22 -0.13 0.00 -0.02 0.00 0.00 31.44 30.51 1s9r n GLU 21 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1s9r s SER 22 N -6.61 0.76 -0.09 1.62 0.01 -1.12 -0.29 113.70 107.98 1s9r s SER 22 Ca -0.27 -0.26 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 1s9r s SER 22 Cb 0.10 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.32 1s9r s SER 22 CO 0.36 -0.02 0.30 0.54 0.41 0.00 0.00 173.24 174.83 1s9r s VAL 23 N -0.56 0.02 -0.19 3.43 0.11 -0.49 -0.48 120.40 122.24 1s9r s VAL 23 Ca -0.02 -0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.78 1s9r s VAL 23 Cb -0.05 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1s9r s VAL 23 CO 0.00 -0.08 0.17 -0.22 -3.33 0.00 0.00 175.10 171.63 1s9r s LEU 24 N -0.27 4.23 0.31 2.54 2.96 0.17 -0.97 118.68 127.65 1s9r s LEU 24 Ca -0.04 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1s9r s LEU 24 Cb -0.03 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1s9r s LEU 24 CO 0.01 0.17 0.12 0.68 -1.32 0.00 0.00 176.35 176.02 1s9r s VAL 25 N 0.31 0.56 -0.18 1.68 -7.23 -0.39 -1.30 120.40 113.85 1s9r s VAL 25 Ca 0.10 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.22 1s9r s VAL 25 Cb -0.11 -2.56 0.09 0.00 0.56 0.00 0.00 36.38 34.36 1s9r s VAL 25 CO -0.00 0.00 0.35 -2.28 -0.31 0.00 0.00 175.10 172.85 1s9r s HIS 26 N -3.53 -0.65 0.10 2.82 2.46 -1.26 -0.70 115.29 114.53 1s9r s HIS 26 Ca 0.34 1.17 -0.31 0.00 0.47 0.00 0.00 55.06 56.73 1s9r s HIS 26 Cb 0.06 0.11 -0.07 0.00 -0.13 0.00 0.00 32.58 32.55 1s9r s HIS 26 CO 0.16 -0.48 1.28 -2.00 -2.47 0.00 0.00 174.74 171.22 1s9r s GLU 27 N 2.52 4.39 0.13 2.88 2.12 -1.26 -4.26 118.70 125.22 1s9r s GLU 27 Ca 0.02 1.91 -0.31 0.00 0.36 0.00 0.00 54.97 56.94 1s9r s GLU 27 Cb -0.13 -3.29 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 1s9r s GLU 27 CO -0.12 -0.31 1.73 -1.25 -0.54 0.00 0.00 175.26 174.77 1s9r s PRO 28 N 0.93 4.16 0.00 4.30 0.04 -1.26 -4.90 135.00 138.28 1s9r s PRO 28 Ca 0.60 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.14 1s9r s PRO 28 Cb -0.33 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1s9r s PRO 28 CO 0.30 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1s9r n GLY 29 N 4.07 1.59 0.30 0.56 0.00 -1.26 -4.83 105.19 105.62 1s9r n GLY 29 Ca 0.16 -1.85 0.20 0.00 0.00 0.00 0.00 46.02 44.54 1s9r n GLY 29 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1s9r h ARG 30 N 0.00 0.00 -0.34 1.61 9.65 -1.91 -2.72 114.38 120.67 1s9r h ARG 30 Ca 0.00 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1s9r h ARG 30 Cb 0.00 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1s9r h ARG 30 CO 0.00 0.00 0.23 1.05 2.80 0.00 0.00 179.97 184.05 1s9r h GLU 31 N 0.00 0.18 0.00 0.20 9.09 -1.81 0.38 114.58 122.61 1s9r h GLU 31 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1s9r h GLU 31 Cb 0.02 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.08 1s9r h GLU 31 CO 0.00 0.12 0.00 0.44 0.05 0.00 0.00 179.01 179.62 1s9r n ILE 32 N -4.47 0.02 1.00 -1.06 -5.35 -1.03 -2.95 119.36 105.52 1s9r n ILE 32 Ca 0.04 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.65 1s9r n ILE 32 Cb 0.28 -0.51 0.59 0.00 -1.74 0.00 0.00 39.64 38.26 1s9r n ILE 32 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s9r n ASP 33 N -1.40 0.00 -0.98 7.28 8.00 0.12 -3.31 116.55 126.26 1s9r n ASP 33 Ca 0.10 0.34 0.08 0.00 0.71 0.00 0.00 54.79 56.02 1s9r n ASP 33 Cb 0.29 -0.44 0.23 0.00 -0.02 0.00 0.00 41.12 41.19 1s9r n ASP 33 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1s9r n TYR 34 N -1.44 0.71 -2.50 1.24 0.53 -1.15 -4.90 117.16 109.65 1s9r n TYR 34 Ca 0.08 -0.50 -0.43 0.00 -1.02 0.00 0.00 57.90 56.03 1s9r n TYR 34 Cb 0.28 -0.02 -0.02 0.00 -1.03 0.00 0.00 39.34 38.55 1s9r n TYR 34 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1s9r s ILE 35 N -1.02 4.37 0.28 -0.72 1.01 -1.21 -5.00 121.20 118.92 1s9r s ILE 35 Ca 0.35 1.64 0.08 0.00 0.00 0.00 0.00 60.65 62.72 1s9r s ILE 35 Cb 0.19 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1s9r s ILE 35 CO 0.24 -0.24 0.12 0.42 0.00 0.00 0.00 174.94 175.48 1s9r s THR 36 N 3.60 3.79 0.23 2.92 -4.23 -1.26 -4.99 115.64 115.70 1s9r s THR 36 Ca 0.51 -1.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 1s9r s THR 36 Cb -0.18 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 70.73 1s9r s THR 36 CO 0.14 -0.32 1.77 -0.65 -0.54 0.00 0.00 174.62 175.02 1s9r h PRO 37 N 1.63 0.54 0.00 3.99 0.11 -2.02 -2.11 132.00 134.14 1s9r h PRO 37 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1s9r h PRO 37 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1s9r h PRO 37 CO 0.61 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1s9r h ALA 38 N 1.46 1.00 -0.43 -0.75 0.00 -2.02 -3.18 119.26 115.34 1s9r h ALA 38 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1s9r h ALA 38 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1s9r h ALA 38 CO -0.30 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.49 1s9r n ARG 39 N -2.97 3.61 -0.05 0.00 1.74 -0.80 -4.69 116.66 113.50 1s9r n ARG 39 Ca 0.01 -2.85 -0.10 0.00 -0.77 0.00 0.00 57.85 54.14 1s9r n ARG 39 Cb 0.28 -1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 1s9r n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1s9r h LEU 40 N 2.88 0.25 -0.60 0.55 3.38 -1.53 0.15 115.31 120.39 1s9r h LEU 40 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1s9r h LEU 40 Cb 1.51 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.17 1s9r h LEU 40 CO 0.27 0.19 0.06 0.44 0.09 0.00 0.00 178.44 179.48 1s9r h ASP 41 N 0.29 0.98 -0.71 -0.43 3.32 -1.84 -1.55 116.42 116.50 1s9r h ASP 41 Ca 0.08 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 1s9r h ASP 41 Cb -0.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1s9r h ASP 41 CO -0.02 1.02 0.25 -0.08 -1.72 0.00 0.00 179.24 178.69 1s9r h GLU 42 N 0.92 1.08 -0.00 3.56 4.81 -1.81 -2.90 114.58 120.23 1s9r h GLU 42 Ca 0.18 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1s9r h GLU 42 Cb 0.48 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1s9r h GLU 42 CO 0.02 0.92 -0.09 1.28 -0.73 0.00 0.00 179.01 180.40 1s9r n LEU 43 N -4.32 0.50 -1.22 1.64 4.77 0.01 -4.88 117.00 113.50 1s9r n LEU 43 Ca 0.05 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 1s9r n LEU 43 Cb 0.20 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1s9r n LEU 43 CO 0.41 0.09 0.05 0.18 -1.33 0.00 0.00 177.39 176.79 1s9r n LEU 44 N -0.88 -2.23 -4.34 2.23 4.77 -0.69 -4.76 117.00 111.09 1s9r n LEU 44 Ca 0.16 -0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.72 1s9r n LEU 44 Cb 0.27 -1.15 -0.14 0.00 -2.33 0.00 0.00 43.42 40.06 1s9r n LEU 44 CO 0.23 0.14 -0.56 -0.36 -1.33 0.00 0.00 177.39 175.51 1s9r s PHE 45 N -2.99 2.23 -0.15 -1.77 0.40 -0.67 -4.77 117.98 110.26 1s9r s PHE 45 Ca 0.13 -0.40 0.15 0.00 -0.60 0.00 0.00 56.93 56.21 1s9r s PHE 45 Cb -0.06 -1.29 0.05 0.00 0.51 0.00 0.00 43.02 42.23 1s9r s PHE 45 CO 0.17 0.19 1.43 0.66 0.70 0.00 0.00 175.22 178.36 1s9r h SER 46 N 4.51 0.00 -5.03 1.36 4.64 -1.52 -3.39 113.55 114.11 1s9r h SER 46 Ca -0.47 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.98 1s9r h SER 46 Cb 1.15 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.14 1s9r h SER 46 CO 0.42 0.52 0.45 0.00 -0.87 0.00 0.00 176.83 177.36 1s9r s ALA 47 N -2.95 -1.69 0.22 5.18 0.00 -1.25 -5.08 121.76 116.20 1s9r s ALA 47 Ca 0.04 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1s9r s ALA 47 Cb 0.08 0.59 -0.08 0.00 0.00 0.00 0.00 23.12 23.70 1s9r s ALA 47 CO 0.75 -0.89 1.03 0.42 0.00 0.00 0.00 175.76 177.07 1s9r s ILE 48 N -3.30 3.89 0.25 0.00 1.01 -1.26 -4.75 121.20 117.05 1s9r s ILE 48 Ca 0.09 1.78 -0.14 0.00 0.00 0.00 0.00 60.65 62.37 1s9r s ILE 48 Cb -0.01 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 1s9r s ILE 48 CO -0.03 0.37 0.65 -0.76 0.00 0.00 0.00 174.94 175.18 1s9r s LEU 49 N -0.89 4.18 -0.45 2.97 1.02 -1.26 -5.02 118.68 119.23 1s9r s LEU 49 Ca 0.45 1.16 -0.27 0.00 0.02 0.00 0.00 54.13 55.50 1s9r s LEU 49 Cb -0.28 -3.76 0.03 0.00 0.02 0.00 0.00 46.19 42.19 1s9r s LEU 49 CO 0.35 -0.08 1.00 -0.70 0.02 0.00 0.00 176.35 176.95 1s9r s GLU 50 N -2.61 3.64 0.12 1.70 -6.30 -1.26 -4.92 118.70 109.07 1s9r s GLU 50 Ca 0.48 0.37 -0.19 0.00 -2.50 0.00 0.00 54.97 53.13 1s9r s GLU 50 Cb -0.12 -3.90 -0.05 0.00 0.00 0.00 0.00 34.13 30.05 1s9r s GLU 50 CO 0.19 -1.25 1.70 0.77 0.02 0.00 0.00 175.26 176.70 1s9r h SER 51 N 9.05 0.34 -0.38 -1.70 0.02 -1.95 -0.46 113.55 118.46 1s9r h SER 51 Ca -0.23 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1s9r h SER 51 Cb 1.07 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1s9r h SER 51 CO 1.06 0.34 0.25 0.45 -1.14 0.00 0.00 176.83 177.79 1s9r h HIS 52 N 0.30 0.46 -0.25 3.45 3.86 -1.99 -1.71 115.15 119.28 1s9r h HIS 52 Ca 0.09 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 1s9r h HIS 52 Cb 0.09 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1s9r h HIS 52 CO -0.03 0.29 -0.35 -0.44 0.86 0.00 0.00 177.93 178.26 1s9r h ASP 53 N 0.50 0.57 -0.76 2.45 3.45 -1.95 -2.03 116.42 118.65 1s9r h ASP 53 Ca 0.14 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.35 1s9r h ASP 53 Cb -0.04 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.54 1s9r h ASP 53 CO -0.04 0.88 0.39 0.00 -1.57 0.00 0.00 179.24 178.89 1s9r h ALA 54 N 1.16 1.23 -0.30 3.45 0.00 -0.67 -0.43 119.26 123.70 1s9r h ALA 54 Ca 0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1s9r h ALA 54 Cb 0.82 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1s9r h ALA 54 CO 0.07 0.60 -0.41 0.00 0.00 0.00 0.00 179.25 179.51 1s9r h ARG 55 N 1.09 0.72 -0.71 0.00 3.08 -1.01 -1.14 114.38 116.42 1s9r h ARG 55 Ca 0.27 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1s9r h ARG 55 Cb 0.08 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1s9r h ARG 55 CO -0.04 1.00 0.19 0.87 -1.07 0.00 0.00 179.97 180.92 1s9r h LYS 56 N 0.59 1.12 -0.64 0.04 1.57 -1.01 -0.66 116.57 117.59 1s9r h LYS 56 Ca 0.05 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1s9r h LYS 56 Cb 0.95 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1s9r h LYS 56 CO 0.09 0.97 0.27 0.93 -0.57 0.00 0.00 179.45 181.14 1s9r h GLU 57 N 1.07 0.95 -0.51 3.15 5.08 -0.86 -2.11 114.58 121.35 1s9r h GLU 57 Ca 0.23 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1s9r h GLU 57 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1s9r h GLU 57 CO -0.00 0.79 0.13 1.25 -1.00 0.00 0.00 179.01 180.18 1s9r h HIS 58 N 0.89 0.79 -0.33 4.33 2.76 -0.78 -1.42 115.15 121.39 1s9r h HIS 58 Ca 0.21 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 1s9r h HIS 58 Cb 0.18 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 1s9r h HIS 58 CO 0.01 0.66 -0.04 0.87 -1.30 0.00 0.00 177.93 178.13 1s9r h LYS 59 N 0.75 0.53 -0.35 5.26 1.57 -0.78 -0.65 116.57 122.89 1s9r h LYS 59 Ca 0.17 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1s9r h LYS 59 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1s9r h LYS 59 CO -0.00 0.58 -0.34 1.96 -0.57 0.00 0.00 179.45 181.09 1s9r h GLN 60 N 0.50 0.79 0.05 3.15 1.08 -0.63 0.18 115.11 120.23 1s9r h GLN 60 Ca 0.10 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1s9r h GLN 60 Cb 0.39 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1s9r h GLN 60 CO 0.02 1.01 -0.05 0.35 -0.95 0.00 0.00 178.83 179.21 1s9r h PHE 61 N 0.66 -0.12 -0.94 2.96 -0.00 -0.61 -0.52 116.94 118.36 1s9r h PHE 61 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 58.05 1s9r h PHE 61 Cb 0.88 0.05 -0.05 0.00 -0.00 0.00 0.00 35.95 36.83 1s9r h PHE 61 CO 0.05 -0.08 0.62 0.28 -0.00 0.00 0.00 178.31 179.18 1s9r h VAL 62 N -0.11 1.24 -0.85 1.41 2.07 -1.00 -1.54 116.25 117.47 1s9r h VAL 62 Ca 0.00 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1s9r h VAL 62 Cb 0.11 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.69 1s9r h VAL 62 CO -0.01 0.24 0.44 0.00 0.02 0.00 0.00 177.57 178.26 1s9r h ALA 63 N 1.34 1.09 -0.61 1.67 0.00 -0.32 -0.05 119.26 122.39 1s9r h ALA 63 Ca 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1s9r h ALA 63 Cb -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.28 1s9r h ALA 63 CO -0.07 0.63 0.27 1.49 0.00 0.00 0.00 179.25 181.56 1s9r h GLU 64 N 1.20 0.89 -0.38 0.00 4.57 -0.59 -1.29 114.58 118.98 1s9r h GLU 64 Ca 0.30 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1s9r h GLU 64 Cb 0.07 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 1s9r h GLU 64 CO -0.04 0.73 0.23 -0.07 -1.18 0.00 0.00 179.01 178.68 1s9r h LEU 65 N 0.84 0.46 -1.47 1.64 3.38 -0.55 -2.79 115.31 116.81 1s9r h LEU 65 Ca 0.21 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1s9r h LEU 65 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1s9r h LEU 65 CO -0.02 0.37 -0.27 0.11 0.09 0.00 0.00 178.44 178.72 1s9r h LYS 66 N 0.50 0.00 0.00 1.13 1.57 -0.78 -1.02 116.57 117.97 1s9r h LYS 66 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1s9r h LYS 66 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1s9r h LYS 66 CO -0.03 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 1s9r n ALA 67 N -2.45 1.76 -1.15 3.86 0.00 -0.51 -2.33 120.51 119.69 1s9r n ALA 67 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.39 1s9r n ALA 67 Cb 0.33 -1.34 0.26 0.00 0.00 0.00 0.00 19.45 18.69 1s9r n ALA 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s9r n ASN 68 N -1.92 3.99 -3.59 0.00 3.02 -0.40 -4.95 115.26 111.41 1s9r n ASN 68 Ca 0.03 -3.35 -0.22 0.00 -0.03 0.00 0.00 54.58 51.02 1s9r n ASN 68 Cb 0.23 -0.69 0.07 0.00 -0.61 0.00 0.00 39.78 38.78 1s9r n ASN 68 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s9r n ASP 69 N -0.56 -3.85 -4.55 6.41 2.03 -0.99 -5.00 116.55 110.05 1s9r n ASP 69 Ca 0.37 -0.64 -0.34 0.00 0.52 0.00 0.00 54.79 54.70 1s9r n ASP 69 Cb 1.23 -4.79 -0.11 0.00 -0.72 0.00 0.00 41.12 36.73 1s9r n ASP 69 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1s9r s ILE 70 N -3.38 3.90 -0.57 5.18 1.01 -1.15 -4.85 121.20 121.33 1s9r s ILE 70 Ca 0.30 -0.38 -0.28 0.00 0.00 0.00 0.00 60.65 60.29 1s9r s ILE 70 Cb -0.14 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.70 1s9r s ILE 70 CO 0.75 0.54 1.22 0.21 0.00 0.00 0.00 174.94 177.67 1s9r s ASN 71 N -0.15 6.42 -0.24 3.58 3.04 0.60 -4.36 114.94 123.82 1s9r s ASN 71 Ca 0.03 0.17 -0.14 0.00 0.04 0.00 0.00 52.86 52.96 1s9r s ASN 71 Cb -0.13 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1s9r s ASN 71 CO 0.02 -1.50 0.30 -0.69 -3.04 0.00 0.00 177.10 172.20 1s9r s VAL 72 N 5.08 5.25 -0.23 -5.21 1.01 -1.26 -1.40 120.40 123.65 1s9r s VAL 72 Ca 0.45 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.84 1s9r s VAL 72 Cb -0.08 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1s9r s VAL 72 CO 0.26 0.26 0.04 -0.69 0.00 0.00 0.00 175.10 174.96 1s9r s VAL 73 N 1.46 4.17 -0.04 2.92 1.01 -0.15 -4.97 120.40 124.80 1s9r s VAL 73 Ca 0.14 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 1s9r s VAL 73 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1s9r s VAL 73 CO 0.08 0.38 0.75 -0.70 0.00 0.00 0.00 175.10 175.61 1s9r s GLU 74 N 1.32 4.46 0.22 2.72 2.56 -1.26 -1.26 118.70 127.46 1s9r s GLU 74 Ca 0.05 0.98 -0.07 0.00 0.00 0.00 0.00 54.97 55.92 1s9r s GLU 74 Cb -0.15 -3.44 0.35 0.00 2.00 0.00 0.00 34.13 32.90 1s9r s GLU 74 CO 0.02 0.08 1.73 1.25 -0.56 0.00 0.00 175.26 177.78 1s9r h LEU 75 N 6.63 0.21 -0.49 2.70 5.85 -1.31 -1.15 115.31 127.75 1s9r h LEU 75 Ca -0.41 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1s9r h LEU 75 Cb 1.20 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1s9r h LEU 75 CO 0.75 0.11 0.23 0.40 -0.34 0.00 0.00 178.44 179.58 1s9r h ILE 76 N 0.40 0.92 -0.30 4.05 2.04 -1.94 -0.42 117.51 122.27 1s9r h ILE 76 Ca 0.35 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.94 1s9r h ILE 76 Cb 0.49 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1s9r h ILE 76 CO -0.36 0.08 -0.29 0.44 0.00 0.00 0.00 178.15 178.02 1s9r h ASP 77 N 0.45 0.63 -0.54 1.72 3.32 -1.77 0.23 116.42 120.47 1s9r h ASP 77 Ca 0.22 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1s9r h ASP 77 Cb 0.16 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1s9r h ASP 77 CO -0.18 0.89 0.16 0.25 -1.72 0.00 0.00 179.24 178.65 1s9r h LEU 78 N 0.53 0.79 -0.26 1.55 5.85 -0.81 -0.10 115.31 122.86 1s9r h LEU 78 Ca 0.07 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 1s9r h LEU 78 Cb 0.77 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1s9r h LEU 78 CO 0.06 0.79 -0.18 0.58 -0.34 0.00 0.00 178.44 179.35 1s9r h VAL 79 N 0.74 1.31 -0.73 1.05 2.07 -0.80 -1.37 116.25 118.52 1s9r h VAL 79 Ca 0.17 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 1s9r h VAL 79 Cb 0.29 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1s9r h VAL 79 CO -0.00 0.41 0.29 0.00 0.02 0.00 0.00 177.57 178.29 1s9r h ALA 80 N 0.71 0.95 -0.67 1.67 0.00 -0.85 0.17 119.26 121.22 1s9r h ALA 80 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1s9r h ALA 80 Cb 0.72 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1s9r h ALA 80 CO 0.05 0.57 0.38 1.49 0.00 0.00 0.00 179.25 181.74 1s9r h GLU 81 N 1.04 0.92 -0.51 0.00 4.81 -0.94 -0.79 114.58 119.11 1s9r h GLU 81 Ca 0.24 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1s9r h GLU 81 Cb 0.21 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1s9r h GLU 81 CO -0.02 0.68 0.12 1.15 -0.73 0.00 0.00 179.01 180.21 1s9r h THR 82 N 0.91 1.24 -0.57 0.32 2.02 -0.84 -2.81 112.91 113.19 1s9r h THR 82 Ca 0.24 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 1s9r h THR 82 Cb 0.02 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1s9r h THR 82 CO -0.04 0.31 0.29 0.22 0.37 0.00 0.00 175.52 176.68 1s9r h TYR 83 N 0.71 0.79 0.00 3.16 3.20 -0.25 -0.84 116.97 123.75 1s9r h TYR 83 Ca 0.16 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1s9r h TYR 83 Cb 0.34 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1s9r h TYR 83 CO 0.02 0.59 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.63 1s9r h ASP 84 N 0.76 0.00 0.10 -2.11 3.32 -1.01 -1.97 116.42 115.50 1s9r h ASP 84 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1s9r h ASP 84 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1s9r h ASP 84 CO -0.03 0.07 -1.02 0.18 -1.72 0.00 0.00 179.24 176.73 1s9r n LEU 85 N -3.71 0.83 -4.81 1.55 4.77 -0.92 -5.01 117.00 109.71 1s9r n LEU 85 Ca -0.02 -0.36 -0.32 0.00 -0.03 0.00 0.00 56.01 55.28 1s9r n LEU 85 Cb 0.17 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1s9r n LEU 85 CO 0.29 0.20 0.71 0.00 -1.33 0.00 0.00 177.39 177.26 1s9r s ALA 86 N -3.05 2.71 0.69 -1.18 0.00 -0.37 -5.03 121.76 115.53 1s9r s ALA 86 Ca 0.07 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 1s9r s ALA 86 Cb 0.16 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 20.10 1s9r s ALA 86 CO 0.85 -1.02 1.15 -1.54 0.00 0.00 0.00 175.76 175.20 1s9r s SER 87 N -3.29 4.69 0.46 0.00 1.04 -1.26 -4.75 113.70 110.60 1s9r s SER 87 Ca 0.61 2.14 0.13 0.00 0.48 0.00 0.00 55.95 59.31 1s9r s SER 87 Cb -0.15 -2.57 1.07 0.00 0.10 0.00 0.00 66.02 64.47 1s9r s SER 87 CO 0.46 -1.92 2.05 -0.61 0.98 0.00 0.00 173.24 174.21 1s9r h GLN 88 N -0.15 0.30 -0.76 4.02 5.75 -1.96 -0.10 115.11 122.23 1s9r h GLN 88 Ca -0.47 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 57.97 1s9r h GLN 88 Cb 1.27 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1s9r h GLN 88 CO 0.52 0.20 0.31 0.93 -2.65 0.00 0.00 178.83 178.15 1s9r h GLU 89 N 0.31 1.11 -0.11 1.69 3.07 -1.99 -0.35 114.58 118.32 1s9r h GLU 89 Ca 0.16 -0.19 -0.22 0.00 -0.50 0.00 0.00 59.36 58.61 1s9r h GLU 89 Cb 0.24 -0.19 0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1s9r h GLU 89 CO -0.03 0.89 -0.80 0.00 -1.40 0.00 0.00 179.01 177.66 1s9r h ALA 90 N 1.25 0.37 -0.70 3.43 0.00 -1.43 -1.83 119.26 120.34 1s9r h ALA 90 Ca 0.25 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1s9r h ALA 90 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1s9r h ALA 90 CO -0.02 0.71 0.28 0.87 0.00 0.00 0.00 179.25 181.09 1s9r h LYS 91 N 0.44 1.05 -0.29 0.00 1.57 -0.86 -1.99 116.57 116.49 1s9r h LYS 91 Ca -0.06 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1s9r h LYS 91 Cb 1.42 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1s9r h LYS 91 CO 0.16 0.86 -0.36 -0.44 -0.57 0.00 0.00 179.45 179.10 1s9r h ASP 92 N 1.00 0.69 0.79 0.86 3.32 -1.00 -3.05 116.42 119.03 1s9r h ASP 92 Ca 0.23 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 1s9r h ASP 92 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1s9r h ASP 92 CO -0.02 0.99 -0.39 0.50 -1.72 0.00 0.00 179.24 178.60 1s9r h LYS 93 N 0.55 0.00 -0.41 3.56 3.64 -1.15 -2.12 116.57 120.64 1s9r h LYS 93 Ca 0.05 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1s9r h LYS 93 Cb 0.88 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 1s9r h LYS 93 CO 0.08 0.39 0.11 1.25 -2.27 0.00 0.00 179.45 179.00 1s9r h LEU 94 N 0.00 0.61 -0.21 5.20 5.85 -1.25 -0.62 115.31 124.89 1s9r h LEU 94 Ca -0.00 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1s9r h LEU 94 Cb 0.89 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1s9r h LEU 94 CO 0.05 0.68 0.03 0.40 -0.34 0.00 0.00 178.44 179.26 1s9r h ILE 95 N 0.52 1.23 -0.82 4.05 1.08 -1.50 -1.44 117.51 120.62 1s9r h ILE 95 Ca 0.13 -0.76 -0.02 0.00 -0.39 0.00 0.00 64.86 63.81 1s9r h ILE 95 Cb 0.30 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 1s9r h ILE 95 CO 0.00 0.24 0.42 -0.33 -0.69 0.00 0.00 178.15 177.79 1s9r h GLU 96 N 0.15 1.15 -0.00 2.37 4.39 -1.23 -1.55 114.58 119.87 1s9r h GLU 96 Ca 0.06 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 1s9r h GLU 96 Cb 0.33 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1s9r h GLU 96 CO 0.01 0.86 -0.63 0.93 -1.16 0.00 0.00 179.01 179.02 1s9r h GLU 97 N 1.15 0.01 -0.48 2.33 5.08 -1.02 -1.39 114.58 120.26 1s9r h GLU 97 Ca 0.29 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1s9r h GLU 97 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1s9r h GLU 97 CO -0.04 0.63 0.16 0.35 -1.00 0.00 0.00 179.01 179.11 1s9r h PHE 98 N 0.00 0.76 -0.46 4.33 3.57 -0.80 -1.06 116.94 123.29 1s9r h PHE 98 Ca -0.01 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 1s9r h PHE 98 Cb 1.11 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1s9r h PHE 98 CO 0.00 0.66 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.51 1s9r h LEU 99 N 0.64 0.94 -1.32 0.59 3.38 -0.96 -2.59 115.31 115.99 1s9r h LEU 99 Ca 0.16 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1s9r h LEU 99 Cb 0.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1s9r h LEU 99 CO -0.01 1.11 -0.04 -0.33 0.09 0.00 0.00 178.44 179.27 1s9r h GLU 100 N 0.76 0.41 -0.55 1.13 5.08 -1.16 -2.73 114.58 117.53 1s9r h GLU 100 Ca 0.11 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1s9r h GLU 100 Cb 0.73 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1s9r h GLU 100 CO 0.06 0.47 0.00 -0.25 -1.00 0.00 0.00 179.01 178.29 1s9r n ASP 101 N -4.29 4.94 -4.75 1.42 8.00 -0.41 -4.99 116.55 116.47 1s9r n ASP 101 Ca 0.01 -2.70 -0.37 0.00 0.71 0.00 0.00 54.79 52.43 1s9r n ASP 101 Cb 0.24 -0.60 0.04 0.00 -0.02 0.00 0.00 41.12 40.78 1s9r n ASP 101 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1s9r s SER 102 N -1.03 5.26 -0.08 -2.24 0.15 -0.99 -4.91 113.70 109.86 1s9r s SER 102 Ca 0.50 2.58 0.01 0.00 0.70 0.00 0.00 55.95 59.73 1s9r s SER 102 Cb 0.36 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1s9r s SER 102 CO 0.19 -1.56 -0.08 -0.70 1.20 0.00 0.00 173.24 172.29 1s9r s GLU 103 N -3.07 1.39 0.83 5.44 2.56 -1.26 -3.49 118.70 121.10 1s9r s GLU 103 Ca 0.74 -0.25 -0.11 0.00 0.00 0.00 0.00 54.97 55.35 1s9r s GLU 103 Cb -0.36 -1.35 0.09 0.00 2.00 0.00 0.00 34.13 34.51 1s9r s GLU 103 CO 0.41 -0.14 1.10 -2.14 -0.56 0.00 0.00 175.26 173.92 1s9r s PRO 104 N 1.26 1.78 0.25 4.30 0.02 -1.26 -0.04 135.00 141.31 1s9r s PRO 104 Ca -0.04 1.20 -0.31 0.00 0.02 0.00 0.00 61.00 61.88 1s9r s PRO 104 Cb -0.14 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 1s9r s PRO 104 CO -0.03 -1.99 1.59 0.08 -0.33 0.00 0.00 177.00 176.32 1s9r s VAL 105 N -2.84 2.25 0.13 3.83 1.01 -1.23 -4.88 120.40 118.67 1s9r s VAL 105 Ca 0.63 0.20 -0.27 0.00 0.00 0.00 0.00 61.98 62.54 1s9r s VAL 105 Cb -0.19 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 1s9r s VAL 105 CO 0.57 0.03 0.82 -0.76 0.00 0.00 0.00 175.10 175.76 1s9r s LEU 106 N 0.06 4.55 0.80 3.92 1.43 -1.26 -5.05 118.68 123.12 1s9r s LEU 106 Ca 0.66 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 1s9r s LEU 106 Cb -0.46 -3.37 0.07 0.00 0.03 0.00 0.00 46.19 42.46 1s9r s LEU 106 CO 0.42 0.11 1.09 -0.94 0.23 0.00 0.00 176.35 177.26 1s9r s SER 107 N -0.66 4.29 0.28 2.29 1.04 -1.26 -4.76 113.70 114.91 1s9r s SER 107 Ca 0.39 1.79 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 1s9r s SER 107 Cb -0.23 -2.47 0.40 0.00 0.10 0.00 0.00 66.02 63.82 1s9r s SER 107 CO 0.27 -2.17 1.92 -0.33 0.98 0.00 0.00 173.24 173.91 1s9r h GLU 108 N -1.22 1.06 -0.28 4.02 4.39 -1.99 0.10 114.58 120.67 1s9r h GLU 108 Ca -0.44 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.15 1s9r h GLU 108 Cb 1.24 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 1s9r h GLU 108 CO 0.51 0.76 0.17 1.49 -1.16 0.00 0.00 179.01 180.78 1s9r h GLU 109 N 1.08 0.38 0.00 2.33 4.81 -2.01 -2.46 114.58 118.71 1s9r h GLU 109 Ca 0.28 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1s9r h GLU 109 Cb -0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1s9r h GLU 109 CO -0.05 0.30 -0.39 0.45 -0.73 0.00 0.00 179.01 178.58 1s9r h HIS 110 N 0.36 0.00 -0.80 0.92 3.86 -1.80 -2.18 115.15 115.51 1s9r h HIS 110 Ca 0.10 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1s9r h HIS 110 Cb 0.01 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1s9r h HIS 110 CO -0.04 0.39 0.42 -0.22 0.86 0.00 0.00 177.93 179.34 1s9r h LYS 111 N 0.00 1.12 -0.29 2.45 3.64 -0.61 0.35 116.57 123.24 1s9r h LYS 111 Ca -0.00 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1s9r h LYS 111 Cb 0.73 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1s9r h LYS 111 CO 0.05 0.84 -0.26 0.28 -2.27 0.00 0.00 179.45 178.09 1s9r h VAL 112 N 1.11 1.30 -0.65 2.00 2.07 -1.13 -1.33 116.25 119.62 1s9r h VAL 112 Ca 0.28 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 1s9r h VAL 112 Cb 0.06 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1s9r h VAL 112 CO -0.04 0.46 0.13 0.58 0.02 0.00 0.00 177.57 178.71 1s9r h VAL 113 N 0.44 1.26 -0.32 2.57 2.07 -1.19 -0.86 116.25 120.22 1s9r h VAL 113 Ca 0.05 -0.99 -0.16 0.00 0.82 0.00 0.00 66.70 66.42 1s9r h VAL 113 Cb 0.83 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1s9r h VAL 113 CO 0.07 0.37 -0.42 0.58 0.02 0.00 0.00 177.57 178.19 1s9r h VAL 114 N 0.98 1.28 -0.55 2.57 2.07 -0.92 -1.81 116.25 119.88 1s9r h VAL 114 Ca 0.20 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.16 1s9r h VAL 114 Cb 0.41 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1s9r h VAL 114 CO 0.01 0.52 0.29 -0.09 0.02 0.00 0.00 177.57 178.32 1s9r h ARG 115 N 0.63 0.54 -0.48 1.57 2.43 -1.03 0.59 114.38 118.63 1s9r h ARG 115 Ca 0.04 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1s9r h ARG 115 Cb 1.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1s9r h ARG 115 CO 0.10 0.36 0.13 -0.91 -1.51 0.00 0.00 179.97 178.13 1s9r h ASN 116 N 0.56 0.66 -0.36 -3.80 -0.26 -1.01 -0.44 115.58 110.93 1s9r h ASN 116 Ca 0.24 -0.10 -0.15 0.00 -0.56 0.00 0.00 56.30 55.72 1s9r h ASN 116 Cb 0.13 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1s9r h ASN 116 CO -0.15 0.65 -0.36 0.15 -1.06 0.00 0.00 177.43 176.66 1s9r h PHE 117 N 0.70 1.08 -0.38 1.19 3.57 -0.45 -1.77 116.94 120.88 1s9r h PHE 117 Ca 0.16 -0.31 -0.16 0.00 3.53 0.00 0.00 57.97 61.18 1s9r h PHE 117 Cb 0.25 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1s9r h PHE 117 CO 0.01 1.13 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.76 1s9r h LEU 118 N 0.75 1.01 -1.52 0.59 3.38 -0.56 -3.00 115.31 115.96 1s9r h LEU 118 Ca 0.07 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1s9r h LEU 118 Cb 0.94 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1s9r h LEU 118 CO 0.09 1.27 -0.13 0.11 0.09 0.00 0.00 178.44 179.87 1s9r h LYS 119 N 0.77 0.15 0.00 1.13 1.57 -0.92 -2.31 116.57 116.96 1s9r h LYS 119 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s9r h LYS 119 Cb 0.99 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1s9r h LYS 119 CO 0.10 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 1s9r n ALA 120 N -2.50 2.02 -1.82 3.86 0.00 -0.68 -4.81 120.51 116.59 1s9r n ALA 120 Ca -0.01 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1s9r n ALA 120 Cb 0.25 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1s9r n ALA 120 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s9r s LYS 121 N -3.01 4.18 0.43 0.00 -0.14 -0.87 -4.90 119.74 115.43 1s9r s LYS 121 Ca 0.11 2.47 0.24 0.00 -1.36 0.00 0.00 55.97 57.42 1s9r s LYS 121 Cb 0.14 -3.07 0.64 0.00 -1.68 0.00 0.00 37.83 33.87 1s9r s LYS 121 CO 0.42 -0.58 1.71 0.87 -0.76 0.00 0.00 175.35 177.00 1s9r h LYS 122 N 5.37 0.00 -4.79 1.68 1.79 -1.90 -3.46 116.57 115.25 1s9r h LYS 122 Ca -0.46 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.71 1s9r h LYS 122 Cb 1.22 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.67 1s9r h LYS 122 CO 0.82 0.17 -0.74 0.95 -1.08 0.00 0.00 179.45 179.57 1s9r s THR 123 N -3.37 0.74 0.35 -0.16 -4.23 -1.26 -5.03 115.64 102.68 1s9r s THR 123 Ca 0.03 -1.36 0.07 0.00 -1.18 0.00 0.00 61.69 59.25 1s9r s THR 123 Cb 0.08 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 73.05 1s9r s THR 123 CO 0.65 -0.46 1.85 0.77 -0.54 0.00 0.00 174.62 176.89 1s9r h SER 124 N 4.04 0.35 -0.59 3.99 4.64 -1.92 -2.27 113.55 121.79 1s9r h SER 124 Ca -0.37 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1s9r h SER 124 Cb 1.19 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1s9r h SER 124 CO 0.47 0.51 0.14 -0.09 -0.87 0.00 0.00 176.83 176.99 1s9r h ARG 125 N 0.34 0.98 -0.62 4.77 2.43 -1.93 -0.40 114.38 119.95 1s9r h ARG 125 Ca 0.06 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1s9r h ARG 125 Cb 0.45 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1s9r h ARG 125 CO 0.03 0.88 0.06 0.93 -1.51 0.00 0.00 179.97 180.36 1s9r h GLU 126 N 0.93 1.04 -0.07 0.20 5.08 -1.90 0.11 114.58 119.97 1s9r h GLU 126 Ca 0.20 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1s9r h GLU 126 Cb 0.35 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1s9r h GLU 126 CO 0.00 0.98 0.01 1.25 -1.00 0.00 0.00 179.01 180.25 1s9r h LEU 127 N 0.97 0.00 -0.46 1.33 5.85 -0.79 -1.60 115.31 120.61 1s9r h LEU 127 Ca 0.19 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1s9r h LEU 127 Cb 0.47 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1s9r h LEU 127 CO 0.02 0.01 0.18 0.58 -0.34 0.00 0.00 178.44 178.89 1s9r h VAL 128 N 0.04 1.21 -0.48 1.05 2.07 -0.76 -2.20 116.25 117.17 1s9r h VAL 128 Ca 0.03 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 66.95 1s9r h VAL 128 Cb 0.02 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1s9r h VAL 128 CO -0.04 0.24 0.20 -0.33 0.02 0.00 0.00 177.57 177.66 1s9r h GLU 129 N 0.61 0.38 -0.05 1.57 5.08 -0.66 -1.65 114.58 119.86 1s9r h GLU 129 Ca 0.15 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1s9r h GLU 129 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1s9r h GLU 129 CO -0.01 0.25 -0.52 0.97 -1.00 0.00 0.00 179.01 178.70 1s9r h ILE 130 N 0.39 1.37 -0.53 3.13 6.09 -1.16 -0.10 117.51 126.70 1s9r h ILE 130 Ca 0.22 -1.80 -0.07 0.00 -1.37 0.00 0.00 64.86 61.84 1s9r h ILE 130 Cb 0.20 1.91 -0.02 0.00 0.47 0.00 0.00 36.82 39.38 1s9r h ILE 130 CO -0.20 0.52 0.03 0.24 -3.07 0.00 0.00 178.15 175.67 1s9r h MET 131 N 0.10 0.88 -0.17 2.19 2.86 -0.87 -2.30 114.93 117.63 1s9r h MET 131 Ca 0.00 -0.23 -0.21 0.00 -2.06 0.00 0.00 59.70 57.19 1s9r h MET 131 Cb 0.96 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.52 1s9r h MET 131 CO 0.07 0.86 -0.72 0.52 1.06 0.00 0.00 176.91 178.70 1s9r h MET 132 N 0.82 0.79 -0.38 1.72 2.86 -1.07 -3.36 114.93 116.31 1s9r h MET 132 Ca 0.16 -0.62 -0.09 0.00 -2.06 0.00 0.00 59.70 57.09 1s9r h MET 132 Cb 0.45 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1s9r h MET 132 CO 0.02 1.24 -0.14 0.00 1.06 0.00 0.00 176.91 179.09 1s9r h ALA 133 N 0.56 1.05 0.00 6.32 0.00 -0.81 -2.38 119.26 124.01 1s9r h ALA 133 Ca -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1s9r h ALA 133 Cb 1.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1s9r h ALA 133 CO 0.15 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1s9r n GLY 134 N -0.46 1.69 2.82 0.00 0.00 -0.88 -3.96 105.19 104.39 1s9r n GLY 134 Ca 0.01 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 43.86 1s9r n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9r s ILE 135 N -2.24 0.20 0.42 -0.61 1.01 0.12 -4.85 121.20 115.25 1s9r s ILE 135 Ca 0.00 0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.81 1s9r s ILE 135 Cb 0.00 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.18 1s9r s ILE 135 CO 0.00 0.16 0.54 0.42 0.00 0.00 0.00 174.94 176.06 1s9r s THR 136 N 1.07 2.99 0.37 2.92 -4.23 -1.26 -0.91 115.64 116.59 1s9r s THR 136 Ca -0.09 -1.04 0.18 0.00 -1.18 0.00 0.00 61.69 59.56 1s9r s THR 136 Cb -0.14 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.87 1s9r s THR 136 CO -0.02 -0.00 1.92 0.07 -0.54 0.00 0.00 174.62 176.05 1s9r h LYS 137 N 0.69 0.00 -0.46 3.99 2.10 -1.09 -2.28 116.57 119.53 1s9r h LYS 137 Ca -0.40 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.13 1s9r h LYS 137 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1s9r h LYS 137 CO 0.47 0.26 -0.15 1.88 -2.00 0.00 0.00 179.45 179.90 1s9r h TYR 138 N 0.00 1.04 -0.83 0.07 -1.99 -1.82 0.98 116.97 114.43 1s9r h TYR 138 Ca -0.00 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1s9r h TYR 138 Cb 0.53 -0.25 -0.04 0.00 2.00 0.00 0.00 36.73 38.97 1s9r h TYR 138 CO 0.00 1.02 0.52 -0.44 -0.00 0.00 0.00 178.16 179.26 1s9r h ASP 139 N 0.76 0.97 1.65 3.88 3.32 -1.80 -2.75 116.42 122.44 1s9r h ASP 139 Ca 0.11 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1s9r h ASP 139 Cb 0.71 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1s9r h ASP 139 CO 0.05 0.73 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.08 1s9r h LEU 140 N 1.13 0.00 0.06 1.55 3.38 -1.25 -3.48 115.31 116.69 1s9r h LEU 140 Ca 0.30 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 1s9r h LEU 140 Cb -0.08 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.71 1s9r h LEU 140 CO -0.06 0.01 -0.29 0.61 0.09 0.00 0.00 178.44 178.80 1s9r n GLY 141 N 1.19 0.13 3.47 0.83 0.00 0.27 -5.04 105.19 106.04 1s9r n GLY 141 Ca 0.04 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 1s9r n GLY 141 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s9r s ILE 142 N -2.87 1.88 0.07 -0.61 -4.36 -0.80 -5.05 121.20 109.45 1s9r s ILE 142 Ca 0.16 -2.16 -0.11 0.00 -0.26 0.00 0.00 60.65 58.28 1s9r s ILE 142 Cb -0.07 -2.52 -0.06 0.00 1.25 0.00 0.00 42.46 41.06 1s9r s ILE 142 CO 0.20 -0.27 0.42 -1.61 0.24 0.00 0.00 174.94 173.92 1s9r s GLU 143 N -3.68 3.82 0.14 0.37 0.41 -1.26 -4.62 118.70 113.88 1s9r s GLU 143 Ca 0.31 0.27 -0.23 0.00 -0.41 0.00 0.00 54.97 54.90 1s9r s GLU 143 Cb 0.03 -3.03 0.07 0.00 -1.78 0.00 0.00 34.13 29.42 1s9r s GLU 143 CO 0.14 0.57 0.59 0.00 -0.49 0.00 0.00 175.26 176.07 1s9r s ALA 144 N -1.35 -1.57 0.20 5.21 0.00 -1.26 -5.04 121.76 117.95 1s9r s ALA 144 Ca 0.32 0.53 0.16 0.00 0.00 0.00 0.00 51.96 52.97 1s9r s ALA 144 Cb -0.15 0.80 0.56 0.00 0.00 0.00 0.00 23.12 24.34 1s9r s ALA 144 CO 0.17 -0.73 1.69 -0.44 0.00 0.00 0.00 175.76 176.46 1s9r h ASP 145 N 2.11 0.00 -3.56 0.00 3.32 -2.00 -3.44 116.42 112.86 1s9r h ASP 145 Ca -0.33 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.15 1s9r h ASP 145 Cb 1.29 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.65 1s9r h ASP 145 CO 0.39 0.46 -0.80 -1.00 -1.72 0.00 0.00 179.24 176.56 1s9r s HIS 146 N -3.60 1.95 0.11 4.55 3.76 -1.26 -5.06 115.29 115.74 1s9r s HIS 146 Ca -0.00 -0.43 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 1s9r s HIS 146 Cb 0.11 -0.99 -0.14 0.00 1.11 0.00 0.00 32.58 32.68 1s9r s HIS 146 CO 0.71 0.36 1.26 0.93 -0.85 0.00 0.00 174.74 177.15 1s9r h GLU 147 N 3.38 0.43 -5.34 1.40 5.08 -1.98 -3.43 114.58 114.11 1s9r h GLU 147 Ca -0.44 -0.49 -0.63 0.00 -1.00 0.00 0.00 59.36 56.80 1s9r h GLU 147 Cb 1.20 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 30.46 1s9r h GLU 147 CO 0.48 1.15 -0.00 -0.51 -1.00 0.00 0.00 179.01 179.13 1s9r s LEU 148 N -7.69 4.18 -0.03 1.33 1.43 -1.26 -0.55 118.68 116.09 1s9r s LEU 148 Ca -0.06 0.28 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 1s9r s LEU 148 Cb 0.08 -2.66 -0.29 0.00 0.03 0.00 0.00 46.19 43.36 1s9r s LEU 148 CO 0.88 -0.40 0.75 0.40 0.23 0.00 0.00 176.35 178.21 1s9r h ILE 149 N 5.52 1.03 -3.40 -0.59 1.08 -1.29 -3.45 117.51 116.40 1s9r h ILE 149 Ca -0.28 -2.66 -0.42 0.00 -0.39 0.00 0.00 64.86 61.11 1s9r h ILE 149 Cb 1.13 2.73 -0.35 0.00 -3.07 0.00 0.00 36.82 37.26 1s9r h ILE 149 CO 0.75 0.82 -0.77 -0.69 -0.69 0.00 0.00 178.15 177.57 1s9r s VAL 150 N -2.60 0.55 0.74 1.67 1.01 -0.88 -4.29 120.40 116.61 1s9r s VAL 150 Ca -0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 1s9r s VAL 150 Cb 0.06 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1s9r s VAL 150 CO 0.85 0.24 1.13 -1.81 0.00 0.00 0.00 175.10 175.51 1s9r s ASP 151 N 1.16 4.42 0.90 3.32 1.01 0.94 -0.70 116.67 127.72 1s9r s ASP 151 Ca -0.07 2.07 -0.12 0.00 0.71 0.00 0.00 52.55 55.14 1s9r s ASP 151 Cb -0.14 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.37 1s9r s ASP 151 CO -0.01 -2.10 1.11 -2.16 0.21 0.00 0.00 175.17 172.22 1s9r s PRO 152 N -4.33 1.21 -0.76 8.23 0.04 -1.25 -4.11 135.00 134.02 1s9r s PRO 152 Ca 0.67 0.54 0.03 0.00 0.04 0.00 0.00 61.00 62.28 1s9r s PRO 152 Cb -0.22 -1.83 0.21 0.00 0.04 0.00 0.00 34.50 32.71 1s9r s PRO 152 CO 0.48 -2.20 0.70 -1.33 0.04 0.00 0.00 177.00 174.69 1s9r n MET 153 N -3.81 2.39 0.31 4.56 2.81 -0.89 -4.90 117.12 117.58 1s9r n MET 153 Ca 0.06 -4.55 0.20 0.00 -1.81 0.00 0.00 57.70 51.60 1s9r n MET 153 Cb 0.57 -2.32 1.04 0.00 -0.71 0.00 0.00 33.22 31.80 1s9r n MET 153 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1s9r h PRO 154 N 5.17 0.00 -0.15 0.03 0.13 -1.84 -2.44 132.00 132.90 1s9r h PRO 154 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1s9r h PRO 154 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1s9r h PRO 154 CO 0.82 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.70 1s9r n ASN 155 N -3.29 1.33 -0.14 1.44 3.02 -1.26 -4.31 115.26 112.04 1s9r n ASN 155 Ca -0.02 -1.70 0.21 0.00 -0.03 0.00 0.00 54.58 53.04 1s9r n ASN 155 Cb 0.12 -0.10 0.62 0.00 -0.61 0.00 0.00 39.78 39.81 1s9r n ASN 155 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1s9r h LEU 156 N 1.71 0.18 -0.53 3.41 3.38 -1.83 -0.36 115.31 121.27 1s9r h LEU 156 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1s9r h LEU 156 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1s9r h LEU 156 CO 0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1s9r n TYR 157 N -4.40 0.33 -2.63 1.13 0.18 -1.26 -3.33 117.16 107.17 1s9r n TYR 157 Ca 0.15 0.16 -0.43 0.00 1.88 0.00 0.00 57.90 59.66 1s9r n TYR 157 Cb 0.70 -0.75 0.01 0.00 -0.38 0.00 0.00 39.34 38.91 1s9r n TYR 157 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1s9r n PHE 158 N -1.82 2.99 0.44 -3.48 3.01 -0.15 -4.41 117.46 114.04 1s9r n PHE 158 Ca 0.00 -2.82 0.05 0.00 1.01 0.00 0.00 57.45 55.69 1s9r n PHE 158 Cb 0.07 -1.75 0.24 0.00 -0.01 0.00 0.00 39.48 38.03 1s9r n PHE 158 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1s9r n THR 159 N 2.79 0.88 0.26 4.37 -2.24 -1.11 -2.63 114.28 116.60 1s9r n THR 159 Ca 0.35 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.45 1s9r n THR 159 Cb 0.36 -1.06 0.69 0.00 -2.10 0.00 0.00 70.33 68.22 1s9r n THR 159 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1s9r h ARG 160 N 0.00 0.00 0.07 -0.78 9.65 -1.30 -3.39 114.38 118.62 1s9r h ARG 160 Ca 0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1s9r h ARG 160 Cb 0.11 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 1s9r h ARG 160 CO 0.00 0.11 -1.99 -0.25 2.80 0.00 0.00 179.97 180.64 1s9r n ASP 161 N -3.93 1.62 -0.07 -3.80 8.00 -1.08 -3.80 116.55 113.49 1s9r n ASP 161 Ca -0.02 0.22 -0.01 0.00 0.71 0.00 0.00 54.79 55.68 1s9r n ASP 161 Cb 0.20 -0.47 0.24 0.00 -0.02 0.00 0.00 41.12 41.08 1s9r n ASP 161 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1s9r h PRO 162 N 0.04 0.68 -3.48 -0.24 0.11 -1.80 -0.21 132.00 127.11 1s9r h PRO 162 Ca -0.41 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 65.47 1s9r h PRO 162 Cb 2.03 -0.10 -0.16 0.00 0.11 0.00 0.00 31.00 32.88 1s9r h PRO 162 CO 0.06 0.65 -0.29 -0.59 -0.21 0.00 0.00 178.00 177.63 1s9r s PHE 163 N -5.10 -0.03 -0.03 0.65 -0.12 -1.26 -1.41 117.98 110.68 1s9r s PHE 163 Ca -0.09 -0.21 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 1s9r s PHE 163 Cb 0.15 0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.59 1s9r s PHE 163 CO 0.78 -0.52 -0.16 0.00 -0.05 0.00 0.00 175.22 175.28 1s9r s ALA 164 N -2.98 1.38 0.06 1.99 0.00 -0.17 -4.79 121.76 117.25 1s9r s ALA 164 Ca -0.02 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 1s9r s ALA 164 Cb 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1s9r s ALA 164 CO -0.06 0.27 1.18 -1.12 0.00 0.00 0.00 175.76 176.03 1s9r s SER 165 N -0.04 7.10 -0.37 0.00 0.01 -1.26 -1.08 113.70 118.06 1s9r s SER 165 Ca -0.01 1.99 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1s9r s SER 165 Cb -0.10 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.68 1s9r s SER 165 CO 0.01 -0.45 0.19 -0.69 0.41 0.00 0.00 173.24 172.72 1s9r s VAL 166 N 1.02 0.73 0.00 3.43 1.01 0.18 -4.91 120.40 121.86 1s9r s VAL 166 Ca 0.58 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1s9r s VAL 166 Cb -0.29 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1s9r s VAL 166 CO 0.29 -0.88 0.00 0.61 0.00 0.00 0.00 175.10 175.13 1s9r n GLY 167 N 4.10 3.20 0.81 4.51 0.00 0.03 -1.60 105.19 116.24 1s9r n GLY 167 Ca 0.07 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1s9r n GLY 167 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s9r n ASN 168 N 9.27 3.68 -3.00 1.61 6.94 -1.26 -0.37 115.26 132.13 1s9r n ASN 168 Ca 0.00 -2.90 -0.12 0.00 -0.02 0.00 0.00 54.58 51.55 1s9r n ASN 168 Cb 0.00 -0.50 -0.02 0.00 -2.36 0.00 0.00 39.78 36.90 1s9r n ASN 168 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s9r n GLY 169 N -0.44 3.82 3.14 4.83 0.00 -0.63 -4.28 105.19 111.63 1s9r n GLY 169 Ca 0.20 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1s9r n GLY 169 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s9r s VAL 170 N -1.59 0.11 -0.21 1.61 -7.23 -0.62 -0.65 120.40 111.83 1s9r s VAL 170 Ca 0.02 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 1s9r s VAL 170 Cb -0.00 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.18 1s9r s VAL 170 CO 0.01 -0.49 -0.06 0.42 -0.31 0.00 0.00 175.10 174.67 1s9r s THR 171 N -2.19 3.27 -0.24 5.32 -4.23 -0.24 -0.34 115.64 116.98 1s9r s THR 171 Ca -0.08 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 59.82 1s9r s THR 171 Cb -0.03 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1s9r s THR 171 CO -0.02 0.44 0.09 -0.63 -0.54 0.00 0.00 174.62 173.96 1s9r s ILE 172 N 1.32 4.56 0.35 2.99 1.01 -0.81 -1.00 121.20 129.62 1s9r s ILE 172 Ca 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1s9r s ILE 172 Cb -0.14 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 1s9r s ILE 172 CO -0.03 0.35 0.68 -1.00 0.00 0.00 0.00 174.94 174.94 1s9r s HIS 173 N 1.36 3.47 -0.46 3.97 3.76 -0.50 -2.39 115.29 124.51 1s9r s HIS 173 Ca 0.05 0.88 -0.16 0.00 -0.15 0.00 0.00 55.06 55.68 1s9r s HIS 173 Cb -0.15 -2.30 0.05 0.00 1.11 0.00 0.00 32.58 31.30 1s9r s HIS 173 CO 0.04 0.02 0.41 -0.47 -0.85 0.00 0.00 174.74 173.90 1s9r s TYR 174 N -2.23 3.21 0.70 1.40 5.04 -1.26 -4.17 117.35 120.03 1s9r s TYR 174 Ca 0.48 -0.75 -0.11 0.00 -2.44 0.00 0.00 57.07 54.26 1s9r s TYR 174 Cb -0.10 -3.08 0.02 0.00 0.35 0.00 0.00 41.96 39.14 1s9r s TYR 174 CO 0.30 -0.78 1.07 -1.64 -1.34 0.00 0.00 175.55 173.17 1s9r s MET 175 N 1.84 2.79 0.09 4.97 -1.94 -1.26 -1.58 119.30 124.22 1s9r s MET 175 Ca 0.07 0.36 -0.16 0.00 -1.71 0.00 0.00 55.69 54.24 1s9r s MET 175 Cb -0.22 -2.05 -0.07 0.00 2.01 0.00 0.00 34.83 34.50 1s9r s MET 175 CO 0.09 -1.03 1.48 -0.09 -0.01 0.00 0.00 175.02 175.45 1s9r h ARG 176 N -0.62 0.59 -6.53 2.03 9.65 -1.84 -3.45 114.38 114.22 1s9r h ARG 176 Ca -0.45 -0.24 -0.68 0.00 -1.10 0.00 0.00 59.98 57.51 1s9r h ARG 176 Cb 1.26 -0.03 -0.21 0.00 -1.39 0.00 0.00 29.97 29.61 1s9r h ARG 176 CO 0.63 0.80 -0.78 0.71 2.80 0.00 0.00 179.97 184.14 1s9r s TYR 177 N -4.69 2.62 0.32 2.20 1.51 -1.26 -5.02 117.35 113.04 1s9r s TYR 177 Ca -0.13 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 1s9r s TYR 177 Cb 0.08 -1.48 0.60 0.00 -0.11 0.00 0.00 41.96 41.05 1s9r s TYR 177 CO 0.79 0.29 1.93 -0.22 -1.11 0.00 0.00 175.55 177.23 1s9r h LYS 178 N 4.47 0.91 -0.44 -0.62 1.63 -1.97 0.34 116.57 120.88 1s9r h LYS 178 Ca -0.48 -0.05 0.13 0.00 -0.85 0.00 0.00 60.65 59.39 1s9r h LYS 178 Cb 1.16 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.56 1s9r h LYS 178 CO 0.49 0.60 0.34 -0.24 -3.45 0.00 0.00 179.45 177.19 1s9r h VAL 179 N 0.94 0.69 0.00 2.00 3.04 -1.95 -2.53 116.25 118.43 1s9r h VAL 179 Ca 0.35 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.70 1s9r h VAL 179 Cb 0.19 0.76 -0.07 0.00 -2.01 0.00 0.00 31.29 30.16 1s9r h VAL 179 CO -0.12 0.00 -2.30 0.54 -1.01 0.00 0.00 177.57 174.68 1s9r n ARG 180 N -4.27 0.90 -0.32 4.17 1.74 -0.44 -4.39 116.66 114.05 1s9r n ARG 180 Ca 0.08 -0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.33 1s9r n ARG 180 Cb 0.54 -1.49 0.43 0.00 -1.02 0.00 0.00 32.46 30.92 1s9r n ARG 180 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1s9r h GLN 181 N 0.00 0.53 -0.12 5.56 4.20 -0.56 0.48 115.11 125.21 1s9r h GLN 181 Ca -0.51 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.20 1s9r h GLN 181 Cb 2.16 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.81 1s9r h GLN 181 CO 0.02 0.35 0.11 0.00 -0.67 0.00 0.00 178.83 178.65 1s9r h ARG 182 N 0.55 0.00 0.00 1.46 3.08 -1.72 -1.55 114.38 116.20 1s9r h ARG 182 Ca 0.57 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.59 1s9r h ARG 182 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1s9r h ARG 182 CO -0.32 0.00 -0.10 0.93 -1.07 0.00 0.00 179.97 179.41 1s9r h GLU 183 N 0.00 0.00 0.00 0.04 5.08 -1.14 -2.86 114.58 115.70 1s9r h GLU 183 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1s9r h GLU 183 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1s9r h GLU 183 CO -0.00 0.10 0.00 0.25 -1.00 0.00 0.00 179.01 178.36 1s9r n THR 184 N -3.36 0.97 -0.22 1.13 -2.24 -0.58 -2.29 114.28 107.69 1s9r n THR 184 Ca -0.01 0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 62.00 1s9r n THR 184 Cb 0.29 -1.09 0.08 0.00 -2.10 0.00 0.00 70.33 67.52 1s9r n THR 184 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1s9r h LEU 185 N 0.00 0.56 -0.63 3.22 5.85 -1.68 -1.33 115.31 121.30 1s9r h LEU 185 Ca 0.00 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 1s9r h LEU 185 Cb 0.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1s9r h LEU 185 CO 0.00 0.38 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.83 1s9r h PHE 186 N 0.69 0.77 0.01 1.25 -1.00 -1.69 -1.92 116.94 115.05 1s9r h PHE 186 Ca 0.27 -0.22 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 1s9r h PHE 186 Cb 0.12 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.51 1s9r h PHE 186 CO -0.07 0.93 -0.00 0.77 -1.61 0.00 0.00 178.31 178.33 1s9r h SER 187 N 0.54 -0.01 -0.70 2.17 0.02 -1.53 -1.86 113.55 112.17 1s9r h SER 187 Ca 0.05 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1s9r h SER 187 Cb 0.90 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1s9r h SER 187 CO 0.08 0.06 0.45 0.03 -1.14 0.00 0.00 176.83 176.31 1s9r h ARG 188 N -0.08 0.87 -0.20 3.45 3.08 -1.21 -2.42 114.38 117.87 1s9r h ARG 188 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1s9r h ARG 188 Cb 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1s9r h ARG 188 CO 0.00 0.58 0.13 0.35 -1.07 0.00 0.00 179.97 179.96 1s9r h PHE 189 N 0.90 0.25 -0.19 3.04 3.57 -1.13 -0.69 116.94 122.69 1s9r h PHE 189 Ca 0.27 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 1s9r h PHE 189 Cb -0.04 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1s9r h PHE 189 CO -0.03 0.16 -0.55 -0.39 -2.23 0.00 0.00 178.31 175.26 1s9r h VAL 190 N 0.27 1.32 0.00 1.41 -1.51 -1.27 -2.29 116.25 114.17 1s9r h VAL 190 Ca 0.07 -1.80 -0.07 0.00 -1.23 0.00 0.00 66.70 63.68 1s9r h VAL 190 Cb -0.03 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 1s9r h VAL 190 CO -0.02 0.56 -0.32 -0.26 -1.23 0.00 0.00 177.57 176.31 1s9r h PHE 191 N 0.45 0.00 0.00 5.19 -1.00 -1.32 -1.50 116.94 118.76 1s9r h PHE 191 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1s9r h PHE 191 Cb 1.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1s9r h PHE 191 CO 0.05 0.32 -0.50 0.43 -1.61 0.00 0.00 178.31 177.00 1s9r n SER 192 N -3.35 0.62 0.00 2.17 7.64 -0.28 -3.44 113.62 116.99 1s9r n SER 192 Ca 0.01 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1s9r n SER 192 Cb 0.54 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1s9r n SER 192 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1s9r n ASN 193 N -1.96 2.53 -4.71 6.43 3.02 -0.88 -4.91 115.26 114.79 1s9r n ASN 193 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 1s9r n ASN 193 Cb 0.41 0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 1s9r n ASN 193 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1s9r s HIS 194 N -1.27 3.42 0.43 3.10 2.46 -0.57 -4.84 115.29 118.02 1s9r s HIS 194 Ca 0.00 1.36 0.20 0.00 0.47 0.00 0.00 55.06 57.09 1s9r s HIS 194 Cb 0.00 -3.36 1.14 0.00 -0.13 0.00 0.00 32.58 30.23 1s9r s HIS 194 CO 0.00 -1.03 1.84 -1.00 -2.47 0.00 0.00 174.74 172.08 1s9r h PRO 195 N 6.96 0.35 -0.00 2.88 0.13 -1.96 0.14 132.00 140.50 1s9r h PRO 195 Ca -0.40 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1s9r h PRO 195 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1s9r h PRO 195 CO 0.82 0.23 -0.07 1.63 -0.23 0.00 0.00 178.00 180.37 1s9r n LYS 196 N -4.50 0.53 0.00 0.86 5.02 -1.26 -3.98 118.16 114.83 1s9r n LYS 196 Ca 0.21 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1s9r n LYS 196 Cb 0.78 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1s9r n LYS 196 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s9r n LEU 197 N -1.13 0.00 0.14 -0.35 4.77 -0.24 -4.25 117.00 115.93 1s9r n LEU 197 Ca 0.14 -0.10 0.17 0.00 -0.03 0.00 0.00 56.01 56.18 1s9r n LEU 197 Cb 0.26 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.10 1s9r n LEU 197 CO 0.24 0.00 1.15 -0.29 -1.33 0.00 0.00 177.39 177.16 1s9r h ILE 198 N 0.00 0.64 -0.20 -0.08 2.10 -0.82 -0.92 117.51 118.23 1s9r h ILE 198 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1s9r h ILE 198 Cb 0.00 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.55 1s9r h ILE 198 CO 0.00 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.66 1s9r n ASN 199 N -4.12 1.61 -4.71 2.19 3.02 -1.26 -4.89 115.26 107.11 1s9r n ASN 199 Ca 0.04 -1.77 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 1s9r n ASN 199 Cb 0.40 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 1s9r n ASN 199 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1s9r s THR 200 N -1.74 3.89 0.32 3.41 2.01 -0.35 -5.00 115.64 118.19 1s9r s THR 200 Ca 0.29 1.33 -0.26 0.00 0.31 0.00 0.00 61.69 63.36 1s9r s THR 200 Cb 0.16 -3.85 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 1s9r s THR 200 CO 0.23 0.07 0.97 -2.16 -0.69 0.00 0.00 174.62 173.04 1s9r s PRO 201 N 1.46 4.55 -0.20 4.92 0.04 -1.26 -4.89 135.00 139.63 1s9r s PRO 201 Ca 0.60 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.96 1s9r s PRO 201 Cb -0.30 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1s9r s PRO 201 CO 0.28 0.23 0.13 -1.58 0.04 0.00 0.00 177.00 176.10 1s9r s TRP 202 N -1.53 3.41 -1.90 0.56 0.52 -1.26 -1.59 118.94 117.15 1s9r s TRP 202 Ca 0.50 0.33 0.21 0.00 0.02 0.00 0.00 56.10 57.15 1s9r s TRP 202 Cb -0.21 -2.15 -0.01 0.00 -1.15 0.00 0.00 33.47 29.94 1s9r s TRP 202 CO 0.27 0.29 1.03 0.66 0.02 0.00 0.00 176.95 179.22 1s9r n TYR 203 N 3.49 0.00 -3.61 -1.98 0.53 0.54 -4.94 117.16 111.19 1s9r n TYR 203 Ca -0.16 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.57 1s9r n TYR 203 Cb 0.52 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.77 1s9r n TYR 203 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 1s9r s TYR 204 N -2.35 -0.45 0.06 -0.72 5.04 -1.25 -4.73 117.35 112.96 1s9r s TYR 204 Ca 0.17 0.67 -0.07 0.00 -2.44 0.00 0.00 57.07 55.41 1s9r s TYR 204 Cb 0.17 0.30 -0.01 0.00 0.35 0.00 0.00 41.96 42.77 1s9r s TYR 204 CO 0.54 -0.56 0.13 0.16 -1.34 0.00 0.00 175.55 174.48 1s9r s ASP 205 N -1.48 0.18 0.62 4.32 -4.77 -1.00 -1.92 116.67 112.62 1s9r s ASP 205 Ca -0.10 -0.64 0.38 0.00 -3.30 0.00 0.00 52.55 48.90 1s9r s ASP 205 Cb -0.02 0.28 2.10 0.00 -1.09 0.00 0.00 42.92 44.19 1s9r s ASP 205 CO 0.05 -0.63 2.18 -0.65 0.70 0.00 0.00 175.17 176.81 1s9r h PRO 206 N 3.13 0.00 0.00 2.11 0.11 -1.69 -2.61 132.00 133.05 1s9r h PRO 206 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1s9r h PRO 206 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s9r h PRO 206 CO 0.55 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 1s9r n SER 207 N -2.92 0.00 0.17 -2.05 3.41 -1.26 -3.24 113.62 107.73 1s9r n SER 207 Ca -0.03 0.39 0.14 0.00 -0.26 0.00 0.00 58.87 59.11 1s9r n SER 207 Cb 0.13 -0.46 0.49 0.00 -0.26 0.00 0.00 64.21 64.12 1s9r n SER 207 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1s9r h LEU 208 N 0.00 0.00 0.51 1.04 3.38 -1.87 -3.47 115.31 114.90 1s9r h LEU 208 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1s9r h LEU 208 Cb 0.32 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1s9r h LEU 208 CO 0.00 0.00 -0.18 0.29 0.09 0.00 0.00 178.44 178.64 1s9r n LYS 209 N -2.55 -1.70 -4.61 1.13 4.76 -1.20 -4.96 118.16 109.03 1s9r n LYS 209 Ca 0.03 0.78 -0.34 0.00 -2.87 0.00 0.00 58.31 55.91 1s9r n LYS 209 Cb 0.32 -5.10 -0.12 0.00 -1.84 0.00 0.00 35.03 28.29 1s9r n LYS 209 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1s9r s LEU 210 N -2.29 3.11 0.08 -0.35 1.43 -1.26 -5.09 118.68 114.30 1s9r s LEU 210 Ca 0.00 -0.09 -0.31 0.00 -1.03 0.00 0.00 54.13 52.70 1s9r s LEU 210 Cb 0.00 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 1s9r s LEU 210 CO 0.00 0.29 1.24 -0.55 0.23 0.00 0.00 176.35 177.56 1s9r s SER 211 N -0.38 7.03 -0.17 2.29 0.15 -1.26 -4.43 113.70 116.92 1s9r s SER 211 Ca 0.05 2.09 -0.25 0.00 0.70 0.00 0.00 55.95 58.54 1s9r s SER 211 Cb -0.12 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.67 1s9r s SER 211 CO 0.02 -0.51 0.66 -0.51 1.20 0.00 0.00 173.24 174.10 1s9r s ILE 212 N 1.04 0.00 0.05 6.45 2.07 -0.61 -2.49 121.20 127.71 1s9r s ILE 212 Ca 0.60 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.82 1s9r s ILE 212 Cb -0.31 -0.94 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 1s9r s ILE 212 CO 0.30 -0.01 -0.05 -1.61 -1.91 0.00 0.00 174.94 171.65 1s9r s GLU 213 N -0.25 0.58 0.50 3.50 2.02 -1.26 -4.05 118.70 119.75 1s9r s GLU 213 Ca -0.04 -1.03 0.16 0.00 0.02 0.00 0.00 54.97 54.08 1s9r s GLU 213 Cb -0.03 -0.01 1.22 0.00 0.10 0.00 0.00 34.13 35.41 1s9r s GLU 213 CO 0.04 -0.04 2.11 0.78 0.02 0.00 0.00 175.26 178.17 1s9r h GLY 214 N 3.69 0.00 2.00 -1.39 0.00 -1.12 -1.79 103.07 104.45 1s9r h GLY 214 Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1s9r h GLY 214 CO 0.55 0.00 -0.00 -1.33 0.00 0.00 0.00 176.54 175.76 1s9r h GLY 215 N 0.15 0.00 1.25 4.60 0.00 -1.84 -1.00 103.07 106.23 1s9r h GLY 215 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s9r h GLY 215 CO 0.01 0.00 -0.46 1.22 0.00 0.00 0.00 176.54 177.31 1s9r n ASP 216 N -3.14 0.53 -4.72 0.19 8.00 -0.67 -2.29 116.55 114.44 1s9r n ASP 216 Ca -0.03 0.05 -0.37 0.00 0.71 0.00 0.00 54.79 55.16 1s9r n ASP 216 Cb 0.10 0.06 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 1s9r n ASP 216 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s9r s VAL 217 N -3.07 5.30 0.02 2.53 1.01 -0.38 -0.62 120.40 125.19 1s9r s VAL 217 Ca 0.09 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.66 1s9r s VAL 217 Cb 0.16 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1s9r s VAL 217 CO 0.68 0.37 -0.12 -0.36 0.00 0.00 0.00 175.10 175.68 1s9r s PHE 218 N 0.58 1.02 -0.48 5.22 0.40 0.47 -5.01 117.98 120.19 1s9r s PHE 218 Ca 0.16 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1s9r s PHE 218 Cb -0.13 -0.62 0.13 0.00 0.51 0.00 0.00 43.02 42.90 1s9r s PHE 218 CO 0.04 0.00 0.28 0.42 0.70 0.00 0.00 175.22 176.67 1s9r s ILE 219 N -0.72 3.43 0.12 0.64 -1.09 -1.26 -1.56 121.20 120.76 1s9r s ILE 219 Ca 0.01 -2.35 -0.11 0.00 -2.23 0.00 0.00 60.65 55.97 1s9r s ILE 219 Cb -0.07 -3.31 -0.13 0.00 -1.58 0.00 0.00 42.46 37.37 1s9r s ILE 219 CO 0.01 -0.75 1.35 1.88 -1.23 0.00 0.00 174.94 176.19 1s9r h TYR 220 N 7.72 1.02 -1.94 3.97 0.99 -1.52 -2.40 116.97 124.80 1s9r h TYR 220 Ca -0.10 -0.43 0.00 0.00 2.00 0.00 0.00 58.73 60.21 1s9r h TYR 220 Cb 1.02 -0.17 -0.00 0.00 1.00 0.00 0.00 36.73 38.58 1s9r h TYR 220 CO 0.60 1.25 0.04 0.27 -0.00 0.00 0.00 178.16 180.32 1s9r n ASN 221 N -3.94 -0.20 0.29 3.88 0.23 -1.10 -4.49 115.26 109.93 1s9r n ASN 221 Ca -0.06 -1.13 0.17 0.00 -0.53 0.00 0.00 54.58 53.03 1s9r n ASN 221 Cb 0.71 0.33 0.88 0.00 -2.08 0.00 0.00 39.78 39.62 1s9r n ASN 221 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1s9r h ASN 222 N 0.19 0.00 0.05 0.53 4.21 -1.93 -3.18 115.58 115.44 1s9r h ASN 222 Ca -0.03 0.00 -0.37 0.00 1.21 0.00 0.00 56.30 57.11 1s9r h ASN 222 Cb 0.12 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.25 1s9r h ASN 222 CO 0.04 0.05 -2.33 0.47 -1.29 0.00 0.00 177.43 174.36 1s9r n ASP 223 N -3.32 0.62 -4.14 5.81 8.00 -1.26 -4.12 116.55 118.15 1s9r n ASP 223 Ca -0.02 0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1s9r n ASP 223 Cb 0.20 0.50 -0.16 0.00 -0.02 0.00 0.00 41.12 41.64 1s9r n ASP 223 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s9r s THR 224 N -2.51 1.94 0.06 -3.53 2.01 -1.20 -0.16 115.64 112.24 1s9r s THR 224 Ca -0.16 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.89 1s9r s THR 224 Cb 0.07 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1s9r s THR 224 CO 0.77 0.53 0.30 -0.76 -0.69 0.00 0.00 174.62 174.77 1s9r s LEU 225 N 0.90 4.34 -0.11 4.42 1.43 -0.32 -1.40 118.68 127.94 1s9r s LEU 225 Ca -0.06 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1s9r s LEU 225 Cb -0.15 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.17 1s9r s LEU 225 CO -0.03 0.18 -0.11 -0.69 0.23 0.00 0.00 176.35 175.93 1s9r s VAL 226 N -1.44 1.22 -0.06 -1.59 1.01 -0.60 -0.41 120.40 118.54 1s9r s VAL 226 Ca 0.33 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1s9r s VAL 226 Cb -0.13 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1s9r s VAL 226 CO 0.20 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.85 1s9r s VAL 227 N 1.41 1.35 0.47 2.92 1.01 -0.20 -0.39 120.40 126.97 1s9r s VAL 227 Ca 0.01 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 1s9r s VAL 227 Cb -0.13 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 1s9r s VAL 227 CO -0.06 0.40 0.95 -0.83 0.00 0.00 0.00 175.10 175.56 1s9r s GLY 228 N 0.38 2.20 -0.35 4.51 0.00 0.21 -1.21 107.32 113.06 1s9r s GLY 228 Ca -0.11 0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1s9r s GLY 228 CO 0.04 0.51 0.08 0.14 0.00 0.00 0.00 173.10 173.87 1s9r s VAL 229 N -2.41 2.72 0.00 1.40 1.01 -0.36 -4.65 120.40 118.11 1s9r s VAL 229 Ca 0.60 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1s9r s VAL 229 Cb -0.10 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1s9r s VAL 229 CO 0.23 -0.49 0.00 -1.54 0.00 0.00 0.00 175.10 173.31 1s9r n SER 230 N 4.44 0.33 0.30 3.32 3.41 -0.21 -1.29 113.62 123.93 1s9r n SER 230 Ca -0.03 -0.81 0.19 0.00 -0.26 0.00 0.00 58.87 57.97 1s9r n SER 230 Cb 0.42 0.00 0.88 0.00 -0.26 0.00 0.00 64.21 65.24 1s9r n SER 230 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1s9r h GLU 231 N 0.00 0.00 0.00 4.33 4.22 -1.78 -3.23 114.58 118.12 1s9r h GLU 231 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1s9r h GLU 231 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s9r h GLU 231 CO 0.00 0.01 -1.37 0.54 -2.18 0.00 0.00 179.01 176.01 1s9r n ARG 232 N -3.10 0.65 -4.51 1.92 5.12 -1.16 -4.99 116.66 110.59 1s9r n ARG 232 Ca -0.01 -0.08 -0.26 0.00 -1.93 0.00 0.00 57.85 55.57 1s9r n ARG 232 Cb 0.22 -1.22 -0.17 0.00 -1.16 0.00 0.00 32.46 30.14 1s9r n ARG 232 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1s9r s THR 233 N -2.64 1.20 0.13 0.55 2.01 -1.22 -3.37 115.64 112.31 1s9r s THR 233 Ca -0.03 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 1s9r s THR 233 Cb 0.07 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 1s9r s THR 233 CO 0.43 0.38 0.33 -1.81 -0.69 0.00 0.00 174.62 173.26 1s9r s ASP 234 N 0.82 6.44 0.24 3.53 1.01 -1.04 -1.05 116.67 126.63 1s9r s ASP 234 Ca -0.11 0.48 -0.05 0.00 0.71 0.00 0.00 52.55 53.57 1s9r s ASP 234 Cb -0.15 -2.04 0.33 0.00 1.01 0.00 0.00 42.92 42.07 1s9r s ASP 234 CO 0.02 0.07 1.85 0.25 0.21 0.00 0.00 175.17 177.56 1s9r h LEU 235 N 2.77 0.82 -1.97 1.23 5.85 -1.92 -0.65 115.31 121.44 1s9r h LEU 235 Ca -0.46 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1s9r h LEU 235 Cb 1.17 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1s9r h LEU 235 CO 0.73 0.52 0.21 0.06 -0.34 0.00 0.00 178.44 179.62 1s9r h GLN 236 N 0.95 0.04 -0.14 1.25 3.07 -1.96 -0.62 115.11 117.70 1s9r h GLN 236 Ca 0.37 -0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.92 1s9r h GLN 236 Cb 0.19 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.74 1s9r h GLN 236 CO -0.18 0.03 -0.69 1.15 0.09 0.00 0.00 178.83 179.23 1s9r h THR 237 N 0.04 1.33 -0.62 1.86 2.02 -1.41 -2.38 112.91 113.75 1s9r h THR 237 Ca 0.14 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.28 1s9r h THR 237 Cb 0.52 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 1s9r h THR 237 CO -0.01 0.61 0.19 0.58 0.37 0.00 0.00 175.52 177.26 1s9r h VAL 238 N 0.40 1.23 -0.96 3.16 2.07 -0.78 -0.58 116.25 120.79 1s9r h VAL 238 Ca -0.02 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1s9r h VAL 238 Cb 1.27 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 1s9r h VAL 238 CO 0.13 0.31 0.59 0.74 0.02 0.00 0.00 177.57 179.36 1s9r h THR 239 N 0.91 1.26 -0.44 2.57 2.02 -1.12 0.44 112.91 118.55 1s9r h THR 239 Ca 0.20 -0.55 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 1s9r h THR 239 Cb 0.27 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1s9r h THR 239 CO -0.01 0.27 -0.27 0.25 0.37 0.00 0.00 175.52 176.14 1s9r h LEU 240 N 1.32 0.99 -0.74 2.58 5.85 -0.94 -2.16 115.31 122.22 1s9r h LEU 240 Ca 0.35 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1s9r h LEU 240 Cb -0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 1s9r h LEU 240 CO -0.07 1.20 0.47 0.25 -0.34 0.00 0.00 178.44 179.96 1s9r h LEU 241 N 0.79 0.86 -0.39 2.25 5.85 -0.51 -0.21 115.31 123.95 1s9r h LEU 241 Ca 0.09 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1s9r h LEU 241 Cb 0.85 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1s9r h LEU 241 CO 0.08 0.64 0.24 0.00 -0.34 0.00 0.00 178.44 179.06 1s9r h ALA 242 N 1.26 0.49 -0.60 1.25 0.00 -0.72 -0.34 119.26 120.59 1s9r h ALA 242 Ca 0.27 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1s9r h ALA 242 Cb -0.09 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1s9r h ALA 242 CO -0.06 -0.08 0.34 -0.22 0.00 0.00 0.00 179.25 179.23 1s9r h LYS 243 N 0.49 0.62 -0.62 0.00 3.64 -0.98 -1.29 116.57 118.43 1s9r h LYS 243 Ca 0.15 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1s9r h LYS 243 Cb -0.02 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1s9r h LYS 243 CO -0.05 0.41 0.12 -0.91 -2.27 0.00 0.00 179.45 176.75 1s9r h ASN 244 N 0.64 0.95 -0.27 4.20 2.35 -0.59 -1.75 115.58 121.12 1s9r h ASN 244 Ca 0.26 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1s9r h ASN 244 Cb 0.13 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1s9r h ASN 244 CO -0.15 0.93 -0.29 0.40 -1.65 0.00 0.00 177.43 176.67 1s9r h ILE 245 N 0.95 1.28 -0.37 2.81 2.04 -0.65 -2.20 117.51 121.36 1s9r h ILE 245 Ca 0.20 -1.43 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 1s9r h ILE 245 Cb 0.38 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1s9r h ILE 245 CO 0.01 0.47 -0.13 0.58 0.00 0.00 0.00 178.15 179.08 1s9r h VAL 246 N 0.66 1.25 0.00 1.67 2.07 -0.99 -2.51 116.25 118.40 1s9r h VAL 246 Ca 0.08 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1s9r h VAL 246 Cb 0.82 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1s9r h VAL 246 CO 0.07 0.39 -0.24 0.00 0.02 0.00 0.00 177.57 177.81 1s9r h ALA 247 N 1.25 1.21 -1.85 1.67 0.00 -1.12 -3.39 119.26 117.02 1s9r h ALA 247 Ca 0.10 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 54.17 1s9r h ALA 247 Cb 0.58 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.20 1s9r h ALA 247 CO 0.04 0.30 0.47 1.21 0.00 0.00 0.00 179.25 181.26 1s9r s ASN 248 N -6.38 6.31 0.03 0.00 3.84 -0.85 -4.89 114.94 112.99 1s9r s ASN 248 Ca -0.02 -0.49 0.14 0.00 0.21 0.00 0.00 52.86 52.70 1s9r s ASN 248 Cb 0.12 -2.41 0.60 0.00 -0.55 0.00 0.00 41.25 39.02 1s9r s ASN 248 CO 0.64 -1.18 1.45 0.29 -2.79 0.00 0.00 177.10 175.51 1s9r n LYS 249 N 7.25 0.02 0.00 0.43 4.76 -1.26 -2.12 118.16 127.24 1s9r n LYS 249 Ca -0.00 0.29 0.11 0.00 -2.87 0.00 0.00 58.31 55.84 1s9r n LYS 249 Cb 0.47 -1.54 0.06 0.00 -1.84 0.00 0.00 35.03 32.18 1s9r n LYS 249 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1s9r n GLU 250 N -1.57 0.03 -2.88 1.97 4.71 -1.26 -4.90 120.64 116.74 1s9r n GLU 250 Ca 0.03 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.76 1s9r n GLU 250 Cb 0.16 -1.51 -0.04 0.00 -1.01 0.00 0.00 31.44 29.04 1s9r n GLU 250 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1s9r n GLU 252 N 5.15 2.30 -2.00 0.00 -0.58 -1.26 -4.97 120.64 119.29 1s9r n GLU 252 Ca 0.04 -1.95 -0.37 0.00 -0.42 0.00 0.00 57.16 54.46 1s9r n GLU 252 Cb 0.49 -1.48 0.03 0.00 -0.57 0.00 0.00 31.44 29.90 1s9r n GLU 252 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1s9r s PHE 253 N -1.65 2.44 -0.13 -0.32 0.40 -1.26 -4.77 117.98 112.69 1s9r s PHE 253 Ca 0.36 1.48 0.07 0.00 -0.60 0.00 0.00 56.93 58.24 1s9r s PHE 253 Cb 0.21 -3.55 -0.09 0.00 0.51 0.00 0.00 43.02 40.10 1s9r s PHE 253 CO 0.30 -2.27 0.20 1.63 0.70 0.00 0.00 175.22 175.79 1s9r n LYS 254 N -1.26 2.01 -3.70 0.44 5.02 0.77 -4.83 118.16 116.60 1s9r n LYS 254 Ca 0.12 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.23 1s9r n LYS 254 Cb 0.48 -1.03 -0.09 0.00 -0.02 0.00 0.00 35.03 34.38 1s9r n LYS 254 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1s9r s ARG 255 N -2.15 0.66 -0.09 1.97 3.52 -0.55 -0.83 118.95 121.48 1s9r s ARG 255 Ca -0.01 0.32 0.04 0.00 -0.13 0.00 0.00 55.73 55.95 1s9r s ARG 255 Cb 0.05 0.31 -0.00 0.00 -1.56 0.00 0.00 34.95 33.74 1s9r s ARG 255 CO 0.28 -0.14 -0.23 0.42 -0.81 0.00 0.00 175.30 174.82 1s9r s ILE 256 N -0.47 1.94 -0.22 4.11 1.01 -0.81 -1.17 121.20 125.59 1s9r s ILE 256 Ca -0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 1s9r s ILE 256 Cb -0.03 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1s9r s ILE 256 CO 0.03 0.53 0.04 -0.69 0.00 0.00 0.00 174.94 174.85 1s9r s VAL 257 N 0.29 4.18 -0.15 2.92 1.01 0.46 -0.72 120.40 128.39 1s9r s VAL 257 Ca -0.16 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1s9r s VAL 257 Cb -0.17 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1s9r s VAL 257 CO 0.07 0.39 0.28 0.00 0.00 0.00 0.00 175.10 175.84 1s9r s ALA 258 N 1.24 3.63 -0.20 5.51 0.00 0.39 -1.03 121.76 131.30 1s9r s ALA 258 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1s9r s ALA 258 Cb -0.15 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.67 1s9r s ALA 258 CO 0.02 0.18 -0.16 0.42 0.00 0.00 0.00 175.76 176.22 1s9r s ILE 259 N 0.18 2.04 0.16 0.00 1.01 -0.35 -1.38 121.20 122.87 1s9r s ILE 259 Ca 0.16 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1s9r s ILE 259 Cb -0.13 -1.96 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 1s9r s ILE 259 CO 0.04 0.33 1.22 0.21 0.00 0.00 0.00 174.94 176.74 1s9r s ASN 260 N 1.25 7.05 0.24 3.58 2.47 0.20 -1.22 114.94 128.52 1s9r s ASN 260 Ca 0.00 2.22 0.03 0.00 0.42 0.00 0.00 52.86 55.53 1s9r s ASN 260 Cb -0.15 -2.60 -0.05 0.00 -1.45 0.00 0.00 41.25 36.99 1s9r s ASN 260 CO -0.10 -0.41 0.03 0.68 -3.72 0.00 0.00 177.10 173.57 1s9r s VAL 261 N 0.18 0.91 0.37 -5.21 -7.23 -0.41 -3.55 120.40 105.47 1s9r s VAL 261 Ca 0.55 -2.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.43 1s9r s VAL 261 Cb -0.33 -2.45 -0.11 0.00 0.56 0.00 0.00 36.38 34.05 1s9r s VAL 261 CO 0.35 -0.22 1.28 -2.65 -0.31 0.00 0.00 175.10 173.56 1s9r n PRO 262 N -0.45 2.06 -1.57 4.82 -0.02 -1.26 -4.72 135.00 133.86 1s9r n PRO 262 Ca -0.04 0.73 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 1s9r n PRO 262 Cb 0.65 -2.35 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 1s9r n PRO 262 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s9r n LYS 263 N 0.36 2.47 -2.87 -0.52 4.76 -1.26 -4.53 118.16 116.57 1s9r n LYS 263 Ca 0.05 -2.58 -0.40 0.00 -2.87 0.00 0.00 58.31 52.51 1s9r n LYS 263 Cb 0.37 -2.16 -0.05 0.00 -1.84 0.00 0.00 35.03 31.35 1s9r n LYS 263 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1s9r s TRP 264 N -2.20 3.79 0.47 2.13 0.52 -1.26 -4.72 118.94 117.68 1s9r s TRP 264 Ca 0.57 1.64 0.20 0.00 0.02 0.00 0.00 56.10 58.54 1s9r s TRP 264 Cb 0.39 -2.92 1.27 0.00 -1.15 0.00 0.00 33.47 31.06 1s9r s TRP 264 CO -0.26 0.27 2.07 1.79 0.02 0.00 0.00 176.95 180.84 1s9r h THR 265 N 3.98 0.88 -0.01 2.01 1.35 -1.97 -2.65 112.91 116.49 1s9r h THR 265 Ca -0.44 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1s9r h THR 265 Cb 1.21 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1s9r h THR 265 CO 0.71 0.12 -0.49 -0.46 -0.25 0.00 0.00 175.52 175.14 1s9r n ASN 266 N -4.09 1.57 -3.46 5.36 6.94 -1.26 -4.40 115.26 115.91 1s9r n ASN 266 Ca -0.02 -1.23 -0.27 0.00 -0.02 0.00 0.00 54.58 53.04 1s9r n ASN 266 Cb 0.20 0.45 -0.10 0.00 -2.36 0.00 0.00 39.78 37.97 1s9r n ASN 266 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1s9r n LEU 267 N -0.45 0.66 -0.27 -4.53 4.77 -1.00 -4.95 117.00 111.23 1s9r n LEU 267 Ca 0.09 -4.68 0.12 0.00 -0.03 0.00 0.00 56.01 51.51 1s9r n LEU 267 Cb 0.41 0.21 0.16 0.00 -2.33 0.00 0.00 43.42 41.88 1s9r n LEU 267 CO 0.30 1.90 0.42 1.15 -1.33 0.00 0.00 177.39 179.82 1s9r n MET 268 N 2.23 0.76 -4.24 3.23 0.00 -1.20 -3.98 117.12 113.92 1s9r n MET 268 Ca 0.26 -0.55 -0.17 0.00 0.00 0.00 0.00 57.70 57.25 1s9r n MET 268 Cb 0.46 -1.49 -0.11 0.00 0.00 0.00 0.00 33.22 32.08 1s9r n MET 268 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1s9r s HIS 269 N -2.62 1.34 0.39 3.17 3.76 -1.26 -2.99 115.29 117.09 1s9r s HIS 269 Ca 0.19 -0.60 0.15 0.00 -0.15 0.00 0.00 55.06 54.64 1s9r s HIS 269 Cb 0.18 -0.70 1.01 0.00 1.11 0.00 0.00 32.58 34.18 1s9r s HIS 269 CO 0.60 0.12 1.84 1.25 -0.85 0.00 0.00 174.74 177.71 1s9r h LEU 270 N 3.36 0.49 0.00 0.89 5.85 -1.88 -1.08 115.31 122.94 1s9r h LEU 270 Ca -0.39 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1s9r h LEU 270 Cb 1.20 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1s9r h LEU 270 CO 0.54 0.19 0.00 -0.90 -0.34 0.00 0.00 178.44 177.93 1s9r n ASP 271 N -4.56 0.00 -1.05 1.25 5.75 -0.97 -0.77 116.55 116.21 1s9r n ASP 271 Ca 0.20 -0.69 0.11 0.00 -0.01 0.00 0.00 54.79 54.40 1s9r n ASP 271 Cb 0.67 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.93 1s9r n ASP 271 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1s9r n THR 272 N -0.88 0.37 0.00 2.12 -2.24 -0.41 -3.72 114.28 109.53 1s9r n THR 272 Ca 0.10 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1s9r n THR 272 Cb 0.05 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1s9r n THR 272 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1s9r n TRP 273 N 1.38 0.00 -3.66 4.78 7.02 0.06 -4.63 117.44 122.39 1s9r n TRP 273 Ca 0.17 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.59 1s9r n TRP 273 Cb 0.58 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.40 1s9r n TRP 273 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1s9r s LEU 274 N -2.93 -0.79 0.11 -0.99 2.96 -0.39 -1.71 118.68 114.93 1s9r s LEU 274 Ca 0.00 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.26 1s9r s LEU 274 Cb 0.00 1.97 -0.04 0.00 0.50 0.00 0.00 46.19 48.62 1s9r s LEU 274 CO 0.00 -0.22 -0.09 0.42 -1.32 0.00 0.00 176.35 175.13 1s9r s THR 275 N 2.18 0.93 -0.21 3.68 -4.23 -0.26 -4.25 115.64 113.48 1s9r s THR 275 Ca -0.07 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1s9r s THR 275 Cb -0.09 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 72.18 1s9r s THR 275 CO -0.17 -0.68 -0.00 -0.32 -0.54 0.00 0.00 174.62 172.90 1s9r s MET 276 N -3.28 3.55 0.00 3.99 1.75 -1.26 -0.88 119.30 123.17 1s9r s MET 276 Ca 0.10 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 1s9r s MET 276 Cb 0.00 -3.09 -0.00 0.00 2.84 0.00 0.00 34.83 34.58 1s9r s MET 276 CO -0.01 -0.08 0.09 1.28 -0.65 0.00 0.00 175.02 175.65 1s9r n LEU 277 N 4.50 0.16 0.00 4.11 4.77 -0.36 -4.77 117.00 125.41 1s9r n LEU 277 Ca -0.17 -0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 55.11 1s9r n LEU 277 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1s9r n LEU 277 CO 0.31 0.04 0.28 -0.67 -1.33 0.00 0.00 177.39 176.02 1s9r n ASP 278 N -0.86 -1.66 -0.07 -1.43 -0.08 -1.12 -1.61 116.55 109.71 1s9r n ASP 278 Ca 0.00 -2.82 0.10 0.00 -1.51 0.00 0.00 54.79 50.56 1s9r n ASP 278 Cb 0.01 2.96 0.47 0.00 2.34 0.00 0.00 41.12 46.90 1s9r n ASP 278 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1s9r h LYS 279 N 0.00 0.45 0.00 -0.67 1.57 -1.97 -3.07 116.57 112.88 1s9r h LYS 279 Ca -0.29 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1s9r h LYS 279 Cb 1.21 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.35 1s9r h LYS 279 CO 0.39 0.30 -0.51 -0.40 -0.57 0.00 0.00 179.45 178.66 1s9r n ASP 280 N -4.47 0.68 -4.36 0.86 5.68 -1.26 -5.02 116.55 108.67 1s9r n ASP 280 Ca 0.08 -2.29 -0.32 0.00 -0.50 0.00 0.00 54.79 51.76 1s9r n ASP 280 Cb 0.28 -0.28 -0.15 0.00 -1.14 0.00 0.00 41.12 39.84 1s9r n ASP 280 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1s9r s LYS 281 N -0.68 2.46 0.04 0.11 1.02 -1.16 -0.49 119.74 121.03 1s9r s LYS 281 Ca 0.14 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1s9r s LYS 281 Cb 0.14 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1s9r s LYS 281 CO -0.03 0.50 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.76 1s9r s PHE 282 N -0.44 0.70 -0.11 3.18 0.40 0.07 -1.22 117.98 120.56 1s9r s PHE 282 Ca 0.05 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1s9r s PHE 282 Cb -0.12 -0.42 -0.00 0.00 0.51 0.00 0.00 43.02 42.99 1s9r s PHE 282 CO 0.01 -0.06 -0.21 -1.17 0.70 0.00 0.00 175.22 174.49 1s9r s LEU 283 N -1.38 2.22 0.07 -0.37 2.96 -0.05 -0.29 118.68 121.84 1s9r s LEU 283 Ca -0.07 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 1s9r s LEU 283 Cb -0.09 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 1s9r s LEU 283 CO 0.00 0.14 0.11 -0.72 -1.32 0.00 0.00 176.35 174.57 1s9r s TYR 284 N 0.44 0.26 -0.21 5.38 -0.85 -0.50 -1.10 117.35 120.77 1s9r s TYR 284 Ca -0.15 -0.69 -0.11 0.00 -0.52 0.00 0.00 57.07 55.59 1s9r s TYR 284 Cb -0.17 -0.17 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 1s9r s TYR 284 CO 0.06 -0.46 0.19 0.45 -1.52 0.00 0.00 175.55 174.28 1s9r s SER 285 N -2.70 6.22 0.54 -0.18 0.15 -0.70 -1.25 113.70 115.79 1s9r s SER 285 Ca 0.03 0.24 0.36 0.00 0.70 0.00 0.00 55.95 57.28 1s9r s SER 285 Cb 0.04 -2.12 1.84 0.00 -1.71 0.00 0.00 66.02 64.07 1s9r s SER 285 CO -0.09 0.09 2.10 -0.65 1.20 0.00 0.00 173.24 175.89 1s9r h PRO 286 N 7.14 0.00 -0.15 5.44 0.11 -1.91 -1.95 132.00 140.68 1s9r h PRO 286 Ca -0.39 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.76 1s9r h PRO 286 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1s9r h PRO 286 CO 0.71 0.00 0.16 0.82 -0.21 0.00 0.00 178.00 179.48 1s9r h ILE 287 N 0.00 0.54 -0.01 4.15 2.04 -1.95 -0.69 117.51 121.58 1s9r h ILE 287 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1s9r h ILE 287 Cb 0.15 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1s9r h ILE 287 CO 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.15 1s9r n ALA 288 N -2.37 2.61 -0.22 1.87 0.00 -0.73 -4.53 120.51 117.13 1s9r n ALA 288 Ca 0.01 -0.38 0.02 0.00 0.00 0.00 0.00 53.44 53.09 1s9r n ALA 288 Cb 0.28 -1.26 0.11 0.00 0.00 0.00 0.00 19.45 18.58 1s9r n ALA 288 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1s9r h ASN 289 N 1.70 -0.36 -0.08 0.00 2.35 -1.29 0.02 115.58 117.92 1s9r h ASN 289 Ca 0.00 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1s9r h ASN 289 Cb 0.36 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1s9r h ASN 289 CO 0.00 -0.15 0.00 0.47 -1.65 0.00 0.00 177.43 176.10 1s9r n ASP 290 N -5.33 1.34 -0.08 5.81 8.00 -1.26 -3.95 116.55 121.07 1s9r n ASP 290 Ca 0.10 -1.54 -0.09 0.00 0.71 0.00 0.00 54.79 53.97 1s9r n ASP 290 Cb 0.39 -0.05 -0.12 0.00 -0.02 0.00 0.00 41.12 41.32 1s9r n ASP 290 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1s9r n VAL 291 N 0.07 1.12 -1.62 2.53 0.31 -0.10 -4.99 118.33 115.66 1s9r n VAL 291 Ca 0.18 -0.65 -0.47 0.00 -0.01 0.00 0.00 64.34 63.39 1s9r n VAL 291 Cb 0.30 -0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 32.54 1s9r n VAL 291 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1s9r n PHE 292 N -2.67 1.72 -3.71 3.52 0.99 -0.66 -4.67 117.46 111.99 1s9r n PHE 292 Ca -0.28 0.56 -0.14 0.00 -0.00 0.00 0.00 57.45 57.59 1s9r n PHE 292 Cb 1.01 -2.37 -0.08 0.00 -1.00 0.00 0.00 39.48 37.04 1s9r n PHE 292 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1s9r s LYS 293 N -0.38 0.72 0.10 -1.08 2.20 -1.23 -4.97 119.74 115.09 1s9r s LYS 293 Ca 0.71 0.05 0.06 0.00 -0.36 0.00 0.00 55.97 56.43 1s9r s LYS 293 Cb -0.75 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 1s9r s LYS 293 CO 0.51 -0.19 -0.16 -0.06 -0.36 0.00 0.00 175.35 175.09 1s9r s PHE 294 N -1.00 1.43 0.02 4.03 0.40 -1.26 -0.62 117.98 120.97 1s9r s PHE 294 Ca -0.10 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 1s9r s PHE 294 Cb -0.04 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.70 1s9r s PHE 294 CO 0.05 0.13 -0.05 -1.58 0.70 0.00 0.00 175.22 174.46 1s9r s TRP 295 N -1.55 0.46 0.01 0.36 0.51 -0.48 -1.40 118.94 116.84 1s9r s TRP 295 Ca 0.04 -0.31 0.04 0.00 -2.12 0.00 0.00 56.10 53.75 1s9r s TRP 295 Cb -0.08 -0.29 -0.03 0.00 -0.81 0.00 0.00 33.47 32.26 1s9r s TRP 295 CO 0.03 -0.07 -0.08 -0.51 -0.51 0.00 0.00 176.95 175.82 1s9r s ASP 296 N -0.90 4.55 -0.13 2.95 1.01 0.55 -0.46 116.67 124.23 1s9r s ASP 296 Ca -0.06 -0.18 0.02 0.00 0.71 0.00 0.00 52.55 53.04 1s9r s ASP 296 Cb -0.06 -1.03 -0.00 0.00 1.01 0.00 0.00 42.92 42.84 1s9r s ASP 296 CO -0.00 0.28 -0.19 -0.31 0.21 0.00 0.00 175.17 175.16 1s9r s TYR 297 N -1.00 2.70 -0.43 4.23 1.51 0.10 -0.94 117.35 123.52 1s9r s TYR 297 Ca 0.17 -1.00 -0.19 0.00 -1.01 0.00 0.00 57.07 55.04 1s9r s TYR 297 Cb -0.11 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1s9r s TYR 297 CO 0.08 -0.42 0.55 0.34 -1.11 0.00 0.00 175.55 174.98 1s9r s ASP 298 N 0.56 6.26 0.00 2.29 -1.08 -1.26 -1.92 116.67 121.52 1s9r s ASP 298 Ca -0.11 -0.50 0.19 0.00 -0.52 0.00 0.00 52.55 51.61 1s9r s ASP 298 Cb -0.16 -2.27 0.60 0.00 -1.46 0.00 0.00 42.92 39.62 1s9r s ASP 298 CO 0.04 -0.69 1.46 0.18 0.52 0.00 0.00 175.17 176.68 1s9r n LEU 299 N 5.95 2.03 -0.01 -1.34 4.77 -0.01 -3.07 117.00 125.32 1s9r n LEU 299 Ca -0.04 -0.90 -0.05 0.00 -0.03 0.00 0.00 56.01 54.98 1s9r n LEU 299 Cb 0.48 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1s9r n LEU 299 CO 0.50 0.45 -0.44 0.52 -1.33 0.00 0.00 177.39 177.09 1s9r n VAL 300 N 0.57 0.97 -1.42 4.08 0.31 -1.25 -4.83 118.33 116.76 1s9r n VAL 300 Ca 0.16 0.15 0.03 0.00 -0.01 0.00 0.00 64.34 64.67 1s9r n VAL 300 Cb 0.37 -1.74 0.20 0.00 -0.91 0.00 0.00 33.84 31.76 1s9r n VAL 300 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1s9r n ASN 301 N -3.63 2.24 -1.27 4.52 3.02 -1.26 -4.62 115.26 114.26 1s9r n ASN 301 Ca -0.09 -3.67 0.09 0.00 -0.03 0.00 0.00 54.58 50.87 1s9r n ASN 301 Cb 0.35 -0.55 0.30 0.00 -0.61 0.00 0.00 39.78 39.26 1s9r n ASN 301 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s9r n GLY 302 N -1.12 3.00 4.57 7.41 0.00 -1.18 -5.05 105.19 112.82 1s9r n GLY 302 Ca 0.24 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1s9r n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9r n GLY 303 N 0.70 -2.16 0.23 -0.02 0.00 -1.26 -3.55 105.19 99.12 1s9r n GLY 303 Ca 0.22 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.89 1s9r n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9r h ALA 304 N -0.00 0.99 -2.11 4.61 0.00 -1.97 -3.35 119.26 117.44 1s9r h ALA 304 Ca 0.00 -0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.17 1s9r h ALA 304 Cb 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.36 1s9r h ALA 304 CO 0.00 0.22 -0.85 0.39 0.00 0.00 0.00 179.25 179.01 1s9r n GLU 305 N -3.30 1.73 -1.70 0.00 1.02 -1.26 -4.58 120.64 112.55 1s9r n GLU 305 Ca 0.01 -4.00 -0.43 0.00 -0.02 0.00 0.00 57.16 52.71 1s9r n GLU 305 Cb 0.43 -1.79 -0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1s9r n GLU 305 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1s9r n PRO 306 N 0.96 2.23 -4.04 3.49 -0.04 -1.23 -4.99 135.00 131.38 1s9r n PRO 306 Ca 0.26 0.79 -0.27 0.00 -0.04 0.00 0.00 63.50 64.24 1s9r n PRO 306 Cb 0.48 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.45 1s9r n PRO 306 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1s9r s GLN 307 N -1.23 3.04 0.05 0.54 -1.52 -1.26 -4.81 119.66 114.46 1s9r s GLN 307 Ca 0.60 -0.77 -0.31 0.00 -1.95 0.00 0.00 55.36 52.94 1s9r s GLN 307 Cb -0.57 -2.74 -0.06 0.00 -0.22 0.00 0.00 33.01 29.41 1s9r s GLN 307 CO 0.56 0.51 1.40 -1.25 -0.25 0.00 0.00 175.29 176.26 1s9r s PRO 308 N -3.04 4.30 -0.20 2.91 0.04 -1.26 -4.58 135.00 133.17 1s9r s PRO 308 Ca 0.32 2.01 -0.03 0.00 0.04 0.00 0.00 61.00 63.34 1s9r s PRO 308 Cb -0.11 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 1s9r s PRO 308 CO 0.25 -0.52 -0.08 0.08 0.04 0.00 0.00 177.00 176.77 1s9r s VAL 309 N 1.91 3.11 0.20 -0.36 1.01 -0.12 -4.89 120.40 121.25 1s9r s VAL 309 Ca 0.64 -0.59 -0.32 0.00 0.00 0.00 0.00 61.98 61.71 1s9r s VAL 309 Cb -0.33 -2.39 -0.15 0.00 0.00 0.00 0.00 36.38 33.51 1s9r s VAL 309 CO 0.28 0.45 1.26 -0.62 0.00 0.00 0.00 175.10 176.48 1s9r n GLU 310 N 4.63 1.51 -4.06 2.72 1.02 -1.26 -0.33 120.64 124.87 1s9r n GLU 310 Ca -0.19 0.54 -0.32 0.00 -0.02 0.00 0.00 57.16 57.17 1s9r n GLU 310 Cb 0.51 -2.10 -0.15 0.00 -0.02 0.00 0.00 31.44 29.68 1s9r n GLU 310 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1s9r s ASN 311 N 0.13 4.43 -0.01 1.62 3.84 -0.49 -4.82 114.94 119.65 1s9r s ASN 311 Ca 0.72 -1.42 0.09 0.00 0.21 0.00 0.00 52.86 52.45 1s9r s ASN 311 Cb -0.77 -1.53 0.25 0.00 -0.55 0.00 0.00 41.25 38.65 1s9r s ASN 311 CO 0.51 -0.20 1.19 0.61 -2.79 0.00 0.00 177.10 176.42 1s9r n GLY 312 N 4.44 0.43 3.76 1.21 0.00 -1.26 -4.08 105.19 109.69 1s9r n GLY 312 Ca -0.13 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1s9r n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s9r s LEU 313 N -1.00 3.50 0.82 0.99 1.43 -1.26 -5.00 118.68 118.15 1s9r s LEU 313 Ca 0.19 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1s9r s LEU 313 Cb 0.10 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.83 1s9r s LEU 313 CO 0.12 -1.63 1.09 -2.16 0.23 0.00 0.00 176.35 174.00 1s9r s PRO 314 N -3.77 1.89 0.23 1.29 0.04 -1.26 -4.67 135.00 128.75 1s9r s PRO 314 Ca 0.71 0.77 -0.09 0.00 0.04 0.00 0.00 61.00 62.44 1s9r s PRO 314 Cb -0.24 -1.89 0.37 0.00 0.04 0.00 0.00 34.50 32.79 1s9r s PRO 314 CO 0.38 -1.79 1.64 1.25 0.04 0.00 0.00 177.00 178.52 1s9r h LEU 315 N -1.22 -0.35 -0.46 -3.56 5.85 -1.96 0.15 115.31 113.76 1s9r h LEU 315 Ca -0.47 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1s9r h LEU 315 Cb 1.27 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 42.58 1s9r h LEU 315 CO 0.57 -0.16 0.21 -0.08 -0.34 0.00 0.00 178.44 178.63 1s9r h GLU 316 N 0.10 0.40 -0.22 1.25 4.81 -1.98 0.39 114.58 119.32 1s9r h GLU 316 Ca 0.38 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 1s9r h GLU 316 Cb 0.64 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1s9r h GLU 316 CO -0.62 0.26 -0.39 0.78 -0.73 0.00 0.00 179.01 178.31 1s9r h GLY 317 N 0.41 0.55 0.86 1.92 0.00 -1.64 -1.28 103.07 103.89 1s9r h GLY 317 Ca 0.21 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1s9r h GLY 317 CO -0.18 0.49 0.06 -2.00 0.00 0.00 0.00 176.54 174.91 1s9r h LEU 318 N 0.42 0.28 -0.91 3.11 5.85 -0.47 -0.94 115.31 122.66 1s9r h LEU 318 Ca 0.04 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1s9r h LEU 318 Cb 0.87 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1s9r h LEU 318 CO 0.07 0.41 0.17 -0.07 -0.34 0.00 0.00 178.44 178.68 1s9r h LEU 319 N 0.13 0.91 -1.62 2.25 3.38 -0.81 -2.23 115.31 117.33 1s9r h LEU 319 Ca 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1s9r h LEU 319 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1s9r h LEU 319 CO -0.00 0.87 0.07 -0.61 0.09 0.00 0.00 178.44 178.86 1s9r h GLN 320 N 0.93 0.32 0.00 1.13 4.15 -0.98 -1.21 115.11 119.45 1s9r h GLN 320 Ca 0.20 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1s9r h GLN 320 Cb 0.31 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1s9r h GLN 320 CO -0.00 0.28 0.00 -1.13 -1.93 0.00 0.00 178.83 176.05 1s9r n SER 321 N -4.42 0.51 -0.11 -0.69 3.41 -0.38 -0.14 113.62 111.80 1s9r n SER 321 Ca 0.00 0.61 -0.25 0.00 -0.26 0.00 0.00 58.87 58.97 1s9r n SER 321 Cb 0.14 -0.72 -0.11 0.00 -0.26 0.00 0.00 64.21 63.25 1s9r n SER 321 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s9r n ILE 322 N -2.04 1.55 1.09 -1.33 5.41 -0.52 -4.57 119.36 118.95 1s9r n ILE 322 Ca 0.03 -0.33 0.12 0.00 1.00 0.00 0.00 62.75 63.57 1s9r n ILE 322 Cb 0.26 -1.85 0.19 0.00 -0.71 0.00 0.00 39.64 37.53 1s9r n ILE 322 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1s9r n ILE 323 N -4.09 0.00 -2.95 1.39 -5.35 -0.85 -4.97 119.36 102.54 1s9r n ILE 323 Ca -0.45 -0.09 -0.20 0.00 -0.27 0.00 0.00 62.75 61.74 1s9r n ILE 323 Cb 0.86 0.61 0.03 0.00 -1.74 0.00 0.00 39.64 39.40 1s9r n ILE 323 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1s9r n ASN 324 N -0.92 -5.67 -3.61 7.28 3.02 0.80 -4.98 115.26 111.19 1s9r n ASN 324 Ca 0.08 -0.26 -0.07 0.00 -0.03 0.00 0.00 54.58 54.30 1s9r n ASN 324 Cb 0.36 -4.49 -0.02 0.00 -0.61 0.00 0.00 39.78 35.02 1s9r n ASN 324 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1s9r s LYS 325 N -5.59 1.09 0.06 3.52 -2.85 -1.23 -5.07 119.74 109.67 1s9r s LYS 325 Ca 0.28 -0.51 -0.31 0.00 -1.00 0.00 0.00 55.97 54.44 1s9r s LYS 325 Cb -0.12 0.44 -0.07 0.00 -2.06 0.00 0.00 37.83 36.01 1s9r s LYS 325 CO 0.35 -0.49 1.48 0.21 0.10 0.00 0.00 175.35 177.00 1s9r s LYS 326 N -3.33 4.26 0.53 1.78 2.20 -1.26 -4.31 119.74 119.61 1s9r s LYS 326 Ca 0.07 2.12 -0.13 0.00 -0.36 0.00 0.00 55.97 57.67 1s9r s LYS 326 Cb -0.02 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 1s9r s LYS 326 CO -0.04 -0.59 0.96 -1.25 -0.36 0.00 0.00 175.35 174.06 1s9r s PRO 327 N 2.09 3.80 -0.22 4.03 0.04 -1.26 -4.97 135.00 138.51 1s9r s PRO 327 Ca 0.67 0.78 -0.07 0.00 0.04 0.00 0.00 61.00 62.42 1s9r s PRO 327 Cb -0.36 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1s9r s PRO 327 CO 0.29 -0.32 0.07 0.08 0.04 0.00 0.00 177.00 177.17 1s9r s VAL 328 N -2.75 4.55 -0.27 -0.36 1.01 0.35 -5.03 120.40 117.91 1s9r s VAL 328 Ca 0.56 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 1s9r s VAL 328 Cb -0.10 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1s9r s VAL 328 CO 0.38 0.38 0.04 -0.76 0.00 0.00 0.00 175.10 175.14 1s9r s LEU 329 N 1.12 3.52 -0.23 3.92 1.43 -1.26 -0.75 118.68 126.43 1s9r s LEU 329 Ca 0.04 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.49 1s9r s LEU 329 Cb -0.14 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1s9r s LEU 329 CO 0.03 -0.12 0.07 -0.63 0.23 0.00 0.00 176.35 175.93 1s9r s ILE 330 N 1.50 4.51 0.23 -0.59 1.01 0.61 -4.99 121.20 123.48 1s9r s ILE 330 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 1s9r s ILE 330 Cb -0.16 -3.09 -0.08 0.00 0.01 0.00 0.00 42.46 39.14 1s9r s ILE 330 CO 0.01 0.37 0.63 -2.16 0.00 0.00 0.00 174.94 173.79 1s9r s PRO 331 N 1.24 3.99 0.17 2.79 0.04 -1.26 -1.42 135.00 140.56 1s9r s PRO 331 Ca 0.05 0.55 -0.33 0.00 0.04 0.00 0.00 61.00 61.31 1s9r s PRO 331 Cb -0.14 -2.70 -0.15 0.00 0.04 0.00 0.00 34.50 31.55 1s9r s PRO 331 CO 0.04 0.33 1.33 -0.89 0.04 0.00 0.00 177.00 177.84 1s9r n ILE 332 N 0.19 0.60 -0.78 0.56 2.08 -0.38 -1.23 119.36 120.41 1s9r n ILE 332 Ca -0.01 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.15 1s9r n ILE 332 Cb 0.52 -1.13 0.00 0.00 -0.75 0.00 0.00 39.64 38.29 1s9r n ILE 332 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1s9r n ALA 333 N 2.10 0.00 0.00 -1.39 0.00 -1.26 -4.77 120.51 115.19 1s9r n ALA 333 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1s9r n ALA 333 Cb 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1s9r n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9r n GLY 334 N -2.00 -1.36 3.77 0.00 0.00 -0.36 -4.45 105.19 100.78 1s9r n GLY 334 Ca 0.00 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1s9r n GLY 334 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s9r s GLU 335 N -2.30 4.21 0.00 1.61 2.56 -1.26 -2.61 118.70 120.91 1s9r s GLU 335 Ca 0.00 2.32 0.00 0.00 0.00 0.00 0.00 54.97 57.29 1s9r s GLU 335 Cb 0.00 -2.98 0.00 0.00 2.00 0.00 0.00 34.13 33.15 1s9r s GLU 335 CO 0.00 -0.35 0.00 0.41 -0.56 0.00 0.00 175.26 174.76 1s9r n GLY 336 N 0.67 1.44 3.74 -1.50 0.00 -1.26 -5.02 105.19 103.26 1s9r n GLY 336 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1s9r n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9r s ALA 337 N -3.25 2.41 0.78 4.61 0.00 -1.07 -5.00 121.76 120.24 1s9r s ALA 337 Ca 0.00 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 1s9r s ALA 337 Cb 0.00 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1s9r s ALA 337 CO 0.00 -1.44 1.11 -1.54 0.00 0.00 0.00 175.76 173.89 1s9r s SER 338 N -1.59 4.70 0.25 0.00 1.04 -1.26 -4.87 113.70 111.96 1s9r s SER 338 Ca 0.79 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 58.34 1s9r s SER 338 Cb -0.33 -1.84 0.31 0.00 0.10 0.00 0.00 66.02 64.25 1s9r s SER 338 CO 0.38 -1.82 1.70 -0.61 0.98 0.00 0.00 173.24 173.87 1s9r h GLN 339 N -0.98 0.69 -0.62 4.02 5.75 -1.99 -1.29 115.11 120.69 1s9r h GLN 339 Ca -0.47 -0.24 0.03 0.00 -0.15 0.00 0.00 58.65 57.82 1s9r h GLN 339 Cb 1.28 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 1s9r h GLN 339 CO 0.62 0.81 0.38 0.52 -2.65 0.00 0.00 178.83 178.51 1s9r h MET 340 N 0.62 0.73 -0.48 1.69 2.86 -1.99 0.17 114.93 118.53 1s9r h MET 340 Ca 0.10 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1s9r h MET 340 Cb 0.62 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1s9r h MET 340 CO 0.04 0.48 0.22 0.93 1.06 0.00 0.00 176.91 179.64 1s9r h GLU 341 N 0.75 0.70 -0.58 1.72 5.08 -1.83 0.10 114.58 120.52 1s9r h GLU 341 Ca 0.25 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1s9r h GLU 341 Cb 0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1s9r h GLU 341 CO -0.10 0.60 0.01 0.82 -1.00 0.00 0.00 179.01 179.35 1s9r h ILE 342 N 0.63 1.26 -0.42 3.13 2.04 -0.78 -0.62 117.51 122.76 1s9r h ILE 342 Ca 0.16 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1s9r h ILE 342 Cb 0.14 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1s9r h ILE 342 CO -0.02 0.40 0.14 -0.33 0.00 0.00 0.00 178.15 178.34 1s9r h GLU 343 N 0.90 0.65 -0.21 2.37 5.08 -0.40 -0.54 114.58 122.43 1s9r h GLU 343 Ca 0.16 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1s9r h GLU 343 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1s9r h GLU 343 CO 0.03 0.63 0.02 0.00 -1.00 0.00 0.00 179.01 178.69 1s9r h ARG 344 N 0.54 0.37 -0.00 2.33 3.08 -0.62 -1.17 114.38 118.90 1s9r h ARG 344 Ca 0.14 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1s9r h ARG 344 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1s9r h ARG 344 CO -0.01 0.53 -0.76 0.93 -1.07 0.00 0.00 179.97 179.59 1s9r h GLU 345 N 0.15 0.03 -0.40 0.04 5.08 -1.12 -2.17 114.58 116.19 1s9r h GLU 345 Ca 0.06 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1s9r h GLU 345 Cb 0.36 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1s9r h GLU 345 CO 0.01 0.78 0.05 1.15 -1.00 0.00 0.00 179.01 180.00 1s9r h THR 346 N 0.02 1.25 -0.76 1.13 2.02 -1.10 0.13 112.91 115.59 1s9r h THR 346 Ca -0.01 -0.89 0.11 0.00 0.77 0.00 0.00 66.41 66.38 1s9r h THR 346 Cb 1.35 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.73 1s9r h THR 346 CO 0.10 0.31 0.39 -0.74 0.37 0.00 0.00 175.52 175.94 1s9r h HIS 347 N 0.51 0.69 -0.25 3.16 -0.00 -0.89 -0.95 115.15 117.42 1s9r h HIS 347 Ca 0.12 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.36 1s9r h HIS 347 Cb 0.39 -0.19 -0.07 0.00 -0.00 0.00 0.00 27.41 27.53 1s9r h HIS 347 CO 0.03 0.23 0.21 1.19 -0.00 0.00 0.00 177.93 179.59 1s9r n PHE 348 N -4.85 0.80 -3.92 5.26 3.01 -0.85 -4.81 117.46 112.11 1s9r n PHE 348 Ca 0.13 -1.44 -0.29 0.00 1.01 0.00 0.00 57.45 56.86 1s9r n PHE 348 Cb 0.31 -0.71 0.02 0.00 -0.01 0.00 0.00 39.48 39.09 1s9r n PHE 348 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1s9r n ASP 349 N 0.81 -3.61 0.14 4.37 9.92 -0.36 -4.85 116.55 122.98 1s9r n ASP 349 Ca 0.16 -0.83 0.10 0.00 -0.53 0.00 0.00 54.79 53.68 1s9r n ASP 349 Cb 0.57 -3.72 0.51 0.00 -0.64 0.00 0.00 41.12 37.84 1s9r n ASP 349 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s9r n GLY 350 N -1.66 -0.84 0.04 0.44 0.00 0.02 -1.34 105.19 101.85 1s9r n GLY 350 Ca -0.05 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1s9r n GLY 350 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s9r n THR 351 N -2.16 0.00 -1.36 2.61 -2.24 -1.26 -4.68 114.28 105.18 1s9r n THR 351 Ca -0.01 -0.02 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 1s9r n THR 351 Cb 0.04 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 1s9r n THR 351 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1s9r n ASN 352 N -1.36 6.25 -4.85 3.42 2.85 -0.45 -4.54 115.26 116.58 1s9r n ASN 352 Ca 0.06 -2.96 -0.32 0.00 -0.11 0.00 0.00 54.58 51.25 1s9r n ASN 352 Cb 0.34 -1.31 -0.06 0.00 1.24 0.00 0.00 39.78 39.99 1s9r n ASN 352 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1s9r s TYR 353 N -0.73 3.39 -0.26 1.20 1.51 -1.26 -1.63 117.35 119.57 1s9r s TYR 353 Ca 0.61 1.16 -0.12 0.00 -1.01 0.00 0.00 57.07 57.72 1s9r s TYR 353 Cb 0.35 -2.50 -0.05 0.00 -0.11 0.00 0.00 41.96 39.65 1s9r s TYR 353 CO -0.14 0.09 0.25 -1.17 -1.11 0.00 0.00 175.55 173.47 1s9r s LEU 354 N -3.05 4.05 -0.07 -1.29 2.96 -0.68 -4.42 118.68 116.18 1s9r s LEU 354 Ca 0.53 0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 54.33 1s9r s LEU 354 Cb -0.10 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1s9r s LEU 354 CO 0.19 -0.07 0.77 0.00 -1.32 0.00 0.00 176.35 175.92 1s9r s ALA 355 N 1.68 3.34 -0.86 5.97 0.00 -1.26 -0.63 121.76 129.99 1s9r s ALA 355 Ca 0.10 0.19 0.19 0.00 0.00 0.00 0.00 51.96 52.44 1s9r s ALA 355 Cb -0.15 -3.07 -0.22 0.00 0.00 0.00 0.00 23.12 19.68 1s9r s ALA 355 CO 0.09 -0.22 0.80 0.44 0.00 0.00 0.00 175.76 176.87 1s9r n ILE 356 N 3.97 0.00 -3.68 0.00 -5.35 0.43 -4.75 119.36 109.98 1s9r n ILE 356 Ca 0.01 -0.07 -0.04 0.00 -0.27 0.00 0.00 62.75 62.38 1s9r n ILE 356 Cb 0.51 0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 39.33 1s9r n ILE 356 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1s9r s ARG 357 N -2.86 1.00 -0.07 6.28 1.70 -1.22 -0.36 118.95 123.42 1s9r s ARG 357 Ca 0.06 -0.52 -0.33 0.00 -0.47 0.00 0.00 55.73 54.47 1s9r s ARG 357 Cb 0.14 0.37 -0.11 0.00 -0.57 0.00 0.00 34.95 34.78 1s9r s ARG 357 CO 0.80 -0.46 1.92 -2.30 -1.08 0.00 0.00 175.30 174.18 1s9r n PRO 358 N -0.41 2.32 -1.23 3.89 -0.02 -0.58 -1.66 135.00 137.30 1s9r n PRO 358 Ca -0.07 0.85 -0.06 0.00 -2.02 0.00 0.00 63.50 62.20 1s9r n PRO 358 Cb 0.61 -2.73 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 1s9r n PRO 358 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9r n GLY 359 N 4.50 0.76 2.79 -1.23 0.00 -0.63 -4.97 105.19 106.40 1s9r n GLY 359 Ca 0.22 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 1s9r n GLY 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s9r s VAL 360 N -2.21 0.41 0.13 1.61 1.01 -0.67 -1.34 120.40 119.35 1s9r s VAL 360 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.11 1s9r s VAL 360 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1s9r s VAL 360 CO 0.00 0.26 -0.12 0.68 0.00 0.00 0.00 175.10 175.92 1s9r s VAL 361 N 1.86 1.18 -0.00 2.92 -7.23 0.05 -0.43 120.40 118.75 1s9r s VAL 361 Ca 0.03 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.46 1s9r s VAL 361 Cb -0.12 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1s9r s VAL 361 CO -0.05 -0.57 -0.26 -0.63 -0.31 0.00 0.00 175.10 173.28 1s9r s ILE 362 N -2.64 2.05 0.05 -0.62 1.01 0.19 -0.32 121.20 120.92 1s9r s ILE 362 Ca 0.11 -1.17 -0.28 0.00 0.00 0.00 0.00 60.65 59.31 1s9r s ILE 362 Cb -0.02 -1.72 0.09 0.00 0.01 0.00 0.00 42.46 40.83 1s9r s ILE 362 CO 0.02 0.52 1.09 -0.83 0.00 0.00 0.00 174.94 175.74 1s9r s GLY 363 N -0.76 -0.33 0.47 6.18 0.00 -1.22 -1.69 107.32 109.97 1s9r s GLY 363 Ca 0.10 0.53 -0.24 0.00 0.00 0.00 0.00 44.72 45.11 1s9r s GLY 363 CO -0.00 0.12 1.36 -0.19 0.00 0.00 0.00 173.10 174.39 1s9r s TYR 364 N -2.89 2.52 0.36 1.90 4.12 -1.26 -2.44 117.35 119.67 1s9r s TYR 364 Ca 0.12 1.35 0.29 0.00 0.02 0.00 0.00 57.07 58.85 1s9r s TYR 364 Cb 0.01 -3.79 1.47 0.00 -1.52 0.00 0.00 41.96 38.12 1s9r s TYR 364 CO -0.02 -2.63 2.06 0.66 0.02 0.00 0.00 175.55 175.64 1s9r h SER 365 N 2.15 0.00 0.12 2.29 4.64 -1.22 -3.29 113.55 118.24 1s9r h SER 365 Ca -0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1s9r h SER 365 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1s9r h SER 365 CO 0.60 0.11 -0.12 0.08 -0.87 0.00 0.00 176.83 176.63 1s9r h ARG 366 N 0.00 0.00 -3.84 4.77 0.11 -1.91 -3.28 114.38 110.23 1s9r h ARG 366 Ca -0.00 0.00 -0.74 0.00 0.10 0.00 0.00 59.98 59.34 1s9r h ARG 366 Cb 0.38 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.34 1s9r h ARG 366 CO 0.01 0.12 2.37 0.09 0.10 0.00 0.00 179.97 182.66 1s9r n ASN 367 N -4.39 4.68 -0.04 0.08 3.02 -1.24 -4.77 115.26 112.61 1s9r n ASN 367 Ca -0.03 -3.00 -0.00 0.00 -0.03 0.00 0.00 54.58 51.52 1s9r n ASN 367 Cb 0.19 -1.56 0.29 0.00 -0.61 0.00 0.00 39.78 38.09 1s9r n ASN 367 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1s9r h GLU 368 N 5.99 0.61 -0.12 3.52 4.11 -1.88 -1.40 114.58 125.39 1s9r h GLU 368 Ca 0.45 -0.11 -0.16 0.00 0.07 0.00 0.00 59.36 59.61 1s9r h GLU 368 Cb 0.66 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1s9r h GLU 368 CO 1.69 0.57 -0.62 0.87 0.07 0.00 0.00 179.01 181.59 1s9r h LYS 369 N 0.59 0.42 -0.33 1.06 1.57 -1.88 -1.16 116.57 116.84 1s9r h LYS 369 Ca 0.13 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1s9r h LYS 369 Cb 0.26 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1s9r h LYS 369 CO -0.00 0.91 -0.36 1.15 -0.57 0.00 0.00 179.45 180.58 1s9r h THR 370 N 0.31 1.28 -0.81 -0.16 2.02 -1.73 -1.41 112.91 112.41 1s9r h THR 370 Ca -0.01 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.62 1s9r h THR 370 Cb 1.16 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.94 1s9r h THR 370 CO 0.11 0.50 0.39 0.78 0.37 0.00 0.00 175.52 177.67 1s9r h ASN 371 N 0.63 1.06 -0.55 4.18 2.35 -1.10 0.12 115.58 122.28 1s9r h ASN 371 Ca 0.06 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1s9r h ASN 371 Cb 0.90 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1s9r h ASN 371 CO 0.08 0.89 -0.08 0.00 -1.65 0.00 0.00 177.43 176.68 1s9r h ALA 372 N 1.27 0.80 -0.66 -0.83 0.00 -1.03 -1.69 119.26 117.12 1s9r h ALA 372 Ca 0.28 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1s9r h ALA 372 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1s9r h ALA 372 CO -0.04 0.67 0.13 0.00 0.00 0.00 0.00 179.25 180.01 1s9r h ALA 373 N 0.97 0.88 -0.06 0.00 0.00 -0.56 -0.48 119.26 120.01 1s9r h ALA 373 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s9r h ALA 373 Cb 0.64 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s9r h ALA 373 CO 0.04 0.63 0.03 -0.07 0.00 0.00 0.00 179.25 179.88 1s9r h LEU 374 N 1.01 0.08 -1.22 0.00 3.38 -0.87 -2.01 115.31 115.68 1s9r h LEU 374 Ca 0.20 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1s9r h LEU 374 Cb 0.41 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1s9r h LEU 374 CO 0.01 0.16 0.54 -0.33 0.09 0.00 0.00 178.44 178.91 1s9r h GLU 375 N -0.01 0.97 0.00 1.13 4.39 -1.02 -0.48 114.58 119.56 1s9r h GLU 375 Ca 0.02 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1s9r h GLU 375 Cb 0.10 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1s9r h GLU 375 CO -0.00 0.64 -0.16 0.00 -1.16 0.00 0.00 179.01 178.32 1s9r h ALA 376 N 1.53 1.11 -0.10 3.43 0.00 -0.90 -1.81 119.26 122.52 1s9r h ALA 376 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s9r h ALA 376 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1s9r h ALA 376 CO -0.10 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1s9r n ALA 377 N -2.23 2.54 -0.88 0.00 0.00 -0.57 -4.92 120.51 114.46 1s9r n ALA 377 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1s9r n ALA 377 Cb 0.34 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1s9r n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9r n GLY 378 N 1.15 0.76 3.51 0.00 0.00 -0.68 -5.07 105.19 104.86 1s9r n GLY 378 Ca 0.18 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1s9r n GLY 378 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s9r s ILE 379 N -2.00 4.11 -0.03 -0.61 1.01 -0.30 -4.97 121.20 118.41 1s9r s ILE 379 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1s9r s ILE 379 Cb 0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1s9r s ILE 379 CO 0.00 0.46 1.18 -0.75 0.00 0.00 0.00 174.94 175.83 1s9r s LYS 380 N 0.62 4.38 -0.16 2.79 2.20 -0.45 -3.21 119.74 125.92 1s9r s LYS 380 Ca -0.00 1.67 -0.05 0.00 -0.36 0.00 0.00 55.97 57.23 1s9r s LYS 380 Cb -0.14 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1s9r s LYS 380 CO 0.02 -0.39 -0.01 0.08 -0.36 0.00 0.00 175.35 174.70 1s9r s VAL 381 N 1.94 4.17 -0.71 4.02 1.01 -1.26 -0.77 120.40 128.80 1s9r s VAL 381 Ca 0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1s9r s VAL 381 Cb -0.25 -2.84 0.18 0.00 0.00 0.00 0.00 36.38 33.47 1s9r s VAL 381 CO 0.23 0.49 0.55 -0.76 0.00 0.00 0.00 175.10 175.61 1s9r s LEU 382 N 0.31 5.39 0.55 3.92 1.43 0.57 -4.96 118.68 125.89 1s9r s LEU 382 Ca -0.01 -3.10 -0.16 0.00 -1.03 0.00 0.00 54.13 49.83 1s9r s LEU 382 Cb -0.14 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 1s9r s LEU 382 CO 0.02 -0.33 1.02 -2.16 0.23 0.00 0.00 176.35 175.14 1s9r s PRO 383 N -0.42 3.63 0.04 1.29 0.04 -1.26 -3.37 135.00 134.95 1s9r s PRO 383 Ca 0.20 1.08 -0.04 0.00 0.04 0.00 0.00 61.00 62.29 1s9r s PRO 383 Cb -0.16 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1s9r s PRO 383 CO -0.06 -0.54 0.05 -0.59 0.04 0.00 0.00 177.00 175.89 1s9r s PHE 384 N -2.53 0.27 -0.17 0.56 -0.12 -1.02 -4.87 117.98 110.10 1s9r s PHE 384 Ca 0.61 -0.61 -0.29 0.00 -0.05 0.00 0.00 56.93 56.59 1s9r s PHE 384 Cb -0.13 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.05 1s9r s PHE 384 CO 0.34 -0.33 1.17 -1.01 -0.05 0.00 0.00 175.22 175.35 1s9r s HIS 385 N -2.58 3.07 -0.21 3.49 3.76 -1.26 -0.65 115.29 120.91 1s9r s HIS 385 Ca -0.05 1.20 0.21 0.00 -0.15 0.00 0.00 55.06 56.27 1s9r s HIS 385 Cb -0.01 -3.41 0.45 0.00 1.11 0.00 0.00 32.58 30.72 1s9r s HIS 385 CO -0.05 -1.21 1.19 0.41 -0.85 0.00 0.00 174.74 174.23 1s9r n GLY 386 N 3.47 1.61 0.34 -2.22 0.00 -1.26 -4.67 105.19 102.46 1s9r n GLY 386 Ca 0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 1s9r n GLY 386 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s9r h ASN 387 N 1.90 1.00 -0.11 1.61 2.35 -1.97 0.34 115.58 120.71 1s9r h ASN 387 Ca -0.23 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 1s9r h ASN 387 Cb 1.40 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 1s9r h ASN 387 CO 0.08 0.70 -0.07 1.56 -1.65 0.00 0.00 177.43 178.05 1s9r h GLN 388 N 1.17 0.25 -0.83 0.81 1.08 -1.92 -2.93 115.11 112.74 1s9r h GLN 388 Ca 0.35 -0.11 0.11 0.00 -1.45 0.00 0.00 58.65 57.54 1s9r h GLN 388 Cb -0.05 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 1s9r h GLN 388 CO -0.10 0.61 0.54 -0.07 -0.95 0.00 0.00 178.83 178.86 1s9r h LEU 389 N -0.12 0.68 -2.41 1.46 3.38 -1.79 -1.27 115.31 115.24 1s9r h LEU 389 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1s9r h LEU 389 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1s9r h LEU 389 CO 0.02 0.39 -0.03 0.77 0.09 0.00 0.00 178.44 179.68 1s9r h SER 390 N 0.75 0.00 0.53 -0.43 4.64 -0.74 -2.26 113.55 116.03 1s9r h SER 390 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1s9r h SER 390 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1s9r h SER 390 CO -0.16 0.03 0.00 -0.07 -0.87 0.00 0.00 176.83 175.76 1s9r h LEU 391 N 0.00 0.00 0.00 5.97 3.38 -1.21 -0.94 115.31 122.52 1s9r h LEU 391 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s9r h LEU 391 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1s9r h LEU 391 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1s9r n GLY 392 N -0.46 -0.96 2.79 0.83 0.00 -0.85 -1.38 105.19 105.16 1s9r n GLY 392 Ca -0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1s9r n GLY 392 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1s9r n MET 393 N -0.94 -4.96 -3.62 1.61 2.81 -0.36 -4.82 117.12 106.84 1s9r n MET 393 Ca 0.20 0.56 -0.12 0.00 -1.81 0.00 0.00 57.70 56.53 1s9r n MET 393 Cb 0.09 -4.77 -0.05 0.00 -0.71 0.00 0.00 33.22 27.78 1s9r n MET 393 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1s9r s GLY 394 N -3.53 -0.34 0.00 3.03 0.00 -1.26 -4.95 107.32 100.28 1s9r s GLY 394 Ca 0.22 0.29 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1s9r s GLY 394 CO 0.49 0.02 0.00 -2.01 0.00 0.00 0.00 173.10 171.60 1s9r n ASN 395 N 0.22 1.35 -0.36 1.64 2.85 -1.26 -4.38 115.26 115.31 1s9r n ASN 395 Ca -0.18 -0.35 0.05 0.00 -0.11 0.00 0.00 54.58 53.99 1s9r n ASN 395 Cb 0.61 0.00 0.22 0.00 1.24 0.00 0.00 39.78 41.85 1s9r n ASN 395 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s9r h ALA 396 N 0.52 1.48 -0.72 5.20 0.00 -1.81 -1.56 119.26 122.36 1s9r h ALA 396 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1s9r h ALA 396 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1s9r h ALA 396 CO 0.00 0.32 0.41 -0.09 0.00 0.00 0.00 179.25 179.89 1s9r h ARG 397 N 1.07 1.00 0.00 0.00 2.43 -1.52 -1.77 114.38 115.59 1s9r h ARG 397 Ca 0.46 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1s9r h ARG 397 Cb 0.33 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1s9r h ARG 397 CO -0.21 0.73 -0.10 0.00 -1.51 0.00 0.00 179.97 178.88 1s9r n MET 399 N -3.60 3.18 -3.85 0.00 2.81 -0.68 -1.83 117.12 113.15 1s9r n MET 399 Ca -0.02 -2.02 -0.11 0.00 -1.81 0.00 0.00 57.70 53.74 1s9r n MET 399 Cb 0.23 -1.82 -0.09 0.00 -0.71 0.00 0.00 33.22 30.82 1s9r n MET 399 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1s9r s SER 400 N -0.67 -0.01 -0.27 7.83 1.04 -0.93 -4.50 113.70 116.19 1s9r s SER 400 Ca 0.36 -0.20 -0.01 0.00 0.48 0.00 0.00 55.95 56.58 1s9r s SER 400 Cb 0.25 0.24 0.08 0.00 0.10 0.00 0.00 66.02 66.70 1s9r s SER 400 CO 0.14 -0.43 0.07 -0.32 0.98 0.00 0.00 173.24 173.68 1s9r s MET 401 N -1.67 0.74 0.30 4.02 1.75 -0.42 -3.13 119.30 120.89 1s9r s MET 401 Ca -0.12 -0.84 -0.29 0.00 -1.25 0.00 0.00 55.69 53.19 1s9r s MET 401 Cb -0.06 -2.03 -0.13 0.00 2.84 0.00 0.00 34.83 35.46 1s9r s MET 401 CO 0.01 -0.85 1.36 -2.30 -0.65 0.00 0.00 175.02 172.59 1s9r n PRO 402 N 4.92 2.16 -0.06 4.11 -0.02 -1.26 -0.65 135.00 144.20 1s9r n PRO 402 Ca -0.05 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.14 1s9r n PRO 402 Cb 0.44 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 1s9r n PRO 402 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1s9r n LEU 403 N 1.35 0.00 -3.65 2.45 4.77 0.37 -4.52 117.00 117.77 1s9r n LEU 403 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 1s9r n LEU 403 Cb 0.35 0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1s9r n LEU 403 CO 0.63 0.28 0.33 -0.94 -1.33 0.00 0.00 177.39 176.35 1s9r s SER 404 N -4.42 -0.71 0.05 -1.43 1.04 -1.01 -1.19 113.70 106.03 1s9r s SER 404 Ca -0.06 1.32 0.04 0.00 0.48 0.00 0.00 55.95 57.73 1s9r s SER 404 Cb 0.04 1.30 -0.03 0.00 0.10 0.00 0.00 66.02 67.44 1s9r s SER 404 CO 0.51 -0.23 -0.13 -0.13 0.98 0.00 0.00 173.24 174.25 1s9r s ARG 405 N 0.60 0.78 0.57 4.02 0.52 -0.00 -0.78 118.95 124.65 1s9r s ARG 405 Ca -0.02 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.17 1s9r s ARG 405 Cb -0.05 -0.74 -0.05 0.00 0.52 0.00 0.00 34.95 34.64 1s9r s ARG 405 CO -0.03 0.17 1.10 0.21 0.02 0.00 0.00 175.30 176.77 1s9r s LYS 406 N -1.50 3.29 0.55 3.54 2.20 0.34 -4.76 119.74 123.39 1s9r s LYS 406 Ca -0.02 1.47 -0.21 0.00 -0.36 0.00 0.00 55.97 56.85 1s9r s LYS 406 Cb -0.09 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 1s9r s LYS 406 CO 0.02 -0.87 1.32 -0.51 -0.36 0.00 0.00 175.35 174.95 1s9r s ASP 407 N -2.11 5.31 0.03 1.43 1.01 -1.26 -3.93 116.67 117.14 1s9r s ASP 407 Ca 0.69 2.67 -0.16 0.00 0.71 0.00 0.00 52.55 56.47 1s9r s ASP 407 Cb -0.21 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.03 1s9r s ASP 407 CO 0.30 -1.54 0.45 -0.69 0.21 0.00 0.00 175.17 173.91 1s9r s VAL 408 N -1.36 4.95 -0.79 -1.27 1.01 -1.26 -4.77 120.40 116.91 1s9r s VAL 408 Ca 0.72 0.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 1s9r s VAL 408 Cb -0.38 -3.76 0.19 0.00 0.00 0.00 0.00 36.38 32.43 1s9r s VAL 408 CO 0.45 0.55 0.79 -0.54 0.00 0.00 0.00 175.10 176.34 1s9r s LYS 409 N -1.16 3.49 0.00 2.72 1.02 -1.26 -5.14 119.74 119.41 1s9r s LYS 409 Ca 0.26 -2.18 0.09 0.00 0.02 0.00 0.00 55.97 54.16 1s9r s LYS 409 Cb -0.17 -4.48 0.55 0.00 -0.52 0.00 0.00 37.83 33.21 1s9r s LYS 409 CO 0.15 -1.39 1.00 0.91 -0.92 0.00 0.00 175.35 175.10