#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6g n ASP 18 N 0.00 2.21 0.02 -1.43 8.00 -1.26 -3.19 116.55 120.90 1u6g n ASP 18 Ca 0.00 -0.11 0.06 0.00 0.71 0.00 0.00 54.79 55.45 1u6g n ASP 18 Cb 0.00 1.43 0.27 0.00 -0.02 0.00 0.00 41.12 42.80 1u6g n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u6g n GLN 19 N -1.79 0.03 0.00 -1.24 10.64 -1.26 -3.31 117.38 120.46 1u6g n GLN 19 Ca -0.01 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.50 1u6g n GLN 19 Cb 0.27 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 1u6g n GLN 19 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.06 175.67 1u6g n ILE 20 N -1.63 0.00 0.24 -0.39 -5.35 -1.26 -4.72 119.36 106.26 1u6g n ILE 20 Ca 0.02 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.59 1u6g n ILE 20 Cb 0.13 -0.85 0.28 0.00 -1.74 0.00 0.00 39.64 37.47 1u6g n ILE 20 CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 1u6g h TRP 21 N 0.00 0.00 0.00 4.28 -0.00 -1.54 0.19 115.95 118.88 1u6g h TRP 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1u6g h TRP 21 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.14 1u6g h TRP 21 CO 0.00 0.00 -0.15 -0.44 -0.00 0.00 0.00 178.44 177.85 1u6g h ASP 22 N 0.00 0.00 0.12 2.65 3.32 -1.84 -2.97 116.42 117.70 1u6g h ASP 22 Ca 0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1u6g h ASP 22 Cb 1.79 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.33 1u6g h ASP 22 CO -0.00 0.49 -0.15 -0.78 -1.72 0.00 0.00 179.24 177.08 1u6g h ASP 23 N -0.82 0.05 -0.61 6.45 3.58 -1.55 0.19 116.42 123.72 1u6g h ASP 23 Ca 0.00 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 1u6g h ASP 23 Cb 0.15 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1u6g h ASP 23 CO 0.00 0.21 0.08 0.25 -2.88 0.00 0.00 179.24 176.90 1u6g h LEU 24 N 0.05 1.00 -0.71 2.28 6.46 -0.85 -1.51 115.31 122.03 1u6g h LEU 24 Ca 0.01 -0.24 -0.14 0.00 -0.12 0.00 0.00 57.88 57.40 1u6g h LEU 24 Cb 0.30 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1u6g h LEU 24 CO 0.02 1.00 -0.55 -0.09 -0.62 0.00 0.00 178.44 178.20 1u6g h ARG 25 N 0.97 0.26 0.61 1.25 1.12 -0.99 0.46 114.38 118.06 1u6g h ARG 25 Ca 0.19 -0.16 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1u6g h ARG 25 Cb 0.44 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 1u6g h ARG 25 CO 0.01 0.74 -0.50 0.00 -3.11 0.00 0.00 179.97 177.11 1u6g h ALA 26 N 1.23 -1.19 -0.32 2.80 0.00 0.01 -0.55 119.26 121.23 1u6g h ALA 26 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1u6g h ALA 26 Cb 1.04 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 19.48 1u6g h ALA 26 CO 0.09 -1.20 0.08 0.78 0.00 0.00 0.00 179.25 178.99 1u6g h GLY 27 N -1.09 0.37 -0.22 0.00 0.00 -1.19 -1.26 103.07 99.69 1u6g h GLY 27 Ca -0.08 -0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.31 1u6g h GLY 27 CO -0.00 -0.00 -0.29 -2.22 0.00 0.00 0.00 176.54 174.03 1u6g h ILE 28 N 0.20 0.26 -0.71 2.60 1.08 -0.71 0.63 117.51 120.85 1u6g h ILE 28 Ca 0.15 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 1u6g h ILE 28 Cb 0.15 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.12 1u6g h ILE 28 CO -0.18 0.00 0.47 -0.61 -0.69 0.00 0.00 178.15 177.14 1u6g h GLN 29 N -0.18 0.85 -0.21 2.37 4.15 -0.40 -0.17 115.11 121.53 1u6g h GLN 29 Ca 0.21 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 1u6g h GLN 29 Cb 0.52 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1u6g h GLN 29 CO -0.58 0.56 -0.23 0.37 -1.93 0.00 0.00 178.83 177.02 1u6g h GLN 30 N 0.88 0.52 -0.19 1.69 4.15 0.24 -2.55 115.11 119.84 1u6g h GLN 30 Ca 0.28 -0.28 0.05 0.00 0.77 0.00 0.00 58.65 59.46 1u6g h GLN 30 Cb 0.03 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 1u6g h GLN 30 CO -0.08 0.87 0.13 0.28 -1.93 0.00 0.00 178.83 178.11 1u6g h VAL 31 N 0.20 0.93 -0.02 2.39 2.07 0.99 -1.90 116.25 120.91 1u6g h VAL 31 Ca 0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1u6g h VAL 31 Cb 0.79 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1u6g h VAL 31 CO 0.06 0.01 -0.05 -1.22 0.02 0.00 0.00 177.57 176.39 1u6g n TYR 32 N -4.49 0.00 -0.55 1.57 4.02 -0.15 -4.58 117.16 112.98 1u6g n TYR 32 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1u6g n TYR 32 Cb 0.24 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 1u6g n TYR 32 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1u6g n THR 33 N 0.13 0.00 -2.74 -0.72 -2.24 -0.71 -5.01 114.28 102.98 1u6g n THR 33 Ca 0.17 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.96 1u6g n THR 33 Cb 0.37 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.65 1u6g n THR 33 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u6g n ARG 34 N 0.00 1.29 -2.35 -0.78 3.00 -1.25 -4.98 116.66 111.58 1u6g n ARG 34 Ca 0.00 -3.04 -0.43 0.00 -0.01 0.00 0.00 57.85 54.37 1u6g n ARG 34 Cb 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 32.46 31.31 1u6g n ARG 34 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1u6g s GLN 35 N -2.72 3.97 0.65 5.56 -0.21 -1.25 -4.96 119.66 120.69 1u6g s GLN 35 Ca 0.28 1.44 -0.18 0.00 0.02 0.00 0.00 55.36 56.92 1u6g s GLN 35 Cb 0.34 -3.89 -0.13 0.00 1.00 0.00 0.00 33.01 30.33 1u6g s GLN 35 CO -0.07 -1.06 -0.13 -1.13 -2.12 0.00 0.00 175.29 170.78 1u6g n SER 36 N 7.55 -3.65 -4.62 5.90 3.41 -1.26 -4.83 113.62 116.13 1u6g n SER 36 Ca 0.15 0.55 -0.26 0.00 -0.26 0.00 0.00 58.87 59.05 1u6g n SER 36 Cb 0.46 -0.91 -0.10 0.00 -0.26 0.00 0.00 64.21 63.40 1u6g n SER 36 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1u6g s MET 37 N -1.55 1.98 -0.13 4.33 1.75 -1.26 -5.09 119.30 119.33 1u6g s MET 37 Ca 0.55 -1.95 -0.05 0.00 -1.25 0.00 0.00 55.69 52.99 1u6g s MET 37 Cb -0.40 -1.76 -0.04 0.00 2.84 0.00 0.00 34.83 35.47 1u6g s MET 37 CO 0.68 0.03 0.06 0.00 -0.65 0.00 0.00 175.02 175.14 1u6g s ALA 38 N -2.63 3.50 0.32 4.11 0.00 -1.26 -4.98 121.76 120.82 1u6g s ALA 38 Ca 0.35 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.66 1u6g s ALA 38 Cb 0.05 -1.78 0.94 0.00 0.00 0.00 0.00 23.12 22.33 1u6g s ALA 38 CO 0.18 0.45 1.61 0.87 0.00 0.00 0.00 175.76 178.87 1u6g h LYS 39 N 5.67 0.12 -0.61 0.00 1.79 -2.00 0.52 116.57 122.06 1u6g h LYS 39 Ca -0.47 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 57.95 1u6g h LYS 39 Cb 1.19 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 1u6g h LYS 39 CO 0.61 0.08 0.20 0.66 -1.08 0.00 0.00 179.45 179.92 1u6g h SER 40 N 0.12 0.88 0.19 0.86 4.64 -2.00 -2.92 113.55 115.33 1u6g h SER 40 Ca 0.67 -0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.66 1u6g h SER 40 Cb 1.51 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 1u6g h SER 40 CO -0.75 0.85 -0.45 -0.09 -0.87 0.00 0.00 176.83 175.52 1u6g h ARG 41 N 0.87 0.32 -0.20 4.77 9.65 -0.44 -1.53 114.38 127.83 1u6g h ARG 41 Ca 0.20 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1u6g h ARG 41 Cb 0.28 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1u6g h ARG 41 CO -0.01 0.72 0.12 -0.92 2.80 0.00 0.00 179.97 182.68 1u6g h TYR 42 N 0.26 0.27 -0.31 2.20 3.20 -0.96 -2.82 116.97 118.82 1u6g h TYR 42 Ca 0.02 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1u6g h TYR 42 Cb 0.91 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1u6g h TYR 42 CO 0.02 0.22 -0.03 1.98 -1.64 0.00 0.00 178.16 178.71 1u6g h MET 43 N 0.24 0.48 -0.73 1.82 4.05 -1.30 -2.57 114.93 116.93 1u6g h MET 43 Ca 0.07 -0.11 0.07 0.00 -0.28 0.00 0.00 59.70 59.46 1u6g h MET 43 Cb 0.03 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.70 1u6g h MET 43 CO -0.01 0.54 0.40 0.93 0.23 0.00 0.00 176.91 178.99 1u6g h GLU 44 N 0.46 0.69 -0.18 0.39 5.08 -1.03 0.24 114.58 120.24 1u6g h GLU 44 Ca 0.10 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1u6g h GLU 44 Cb 0.35 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1u6g h GLU 44 CO 0.01 0.46 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.82 1u6g h LEU 45 N 0.71 0.65 -0.11 1.33 3.38 -1.40 -1.23 115.31 118.64 1u6g h LEU 45 Ca 0.34 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1u6g h LEU 45 Cb 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1u6g h LEU 45 CO -0.22 1.09 0.01 0.22 0.09 0.00 0.00 178.44 179.63 1u6g h TYR 46 N 0.43 0.01 -0.57 1.13 3.20 -0.93 -2.10 116.97 118.15 1u6g h TYR 46 Ca -0.00 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1u6g h TYR 46 Cb 1.15 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 1u6g h TYR 46 CO 0.05 -0.00 0.17 1.15 -1.64 0.00 0.00 178.16 177.88 1u6g h THR 47 N 0.05 0.73 -0.61 1.81 2.02 -0.33 -0.09 112.91 116.49 1u6g h THR 47 Ca 0.05 -0.11 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1u6g h THR 47 Cb 0.05 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1u6g h THR 47 CO -0.08 0.06 0.40 0.45 0.37 0.00 0.00 175.52 176.72 1u6g h HIS 48 N 0.32 0.70 0.01 3.16 3.86 -0.57 0.11 115.15 122.75 1u6g h HIS 48 Ca 0.29 0.02 -0.22 0.00 -1.16 0.00 0.00 60.37 59.29 1u6g h HIS 48 Cb 0.38 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1u6g h HIS 48 CO -0.20 0.41 -0.96 0.28 0.86 0.00 0.00 177.93 178.32 1u6g h VAL 49 N 0.73 1.43 0.78 2.45 2.07 -0.81 -0.99 116.25 121.92 1u6g h VAL 49 Ca 0.24 -2.55 -0.03 0.00 0.82 0.00 0.00 66.70 65.18 1u6g h VAL 49 Cb 0.06 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1u6g h VAL 49 CO -0.06 0.76 -0.49 0.22 0.02 0.00 0.00 177.57 178.02 1u6g h TYR 50 N 0.19 -1.30 -0.41 1.57 3.20 0.26 -0.53 116.97 119.95 1u6g h TYR 50 Ca -0.08 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.81 1u6g h TYR 50 Cb 1.60 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 40.30 1u6g h TYR 50 CO 0.05 -0.72 0.21 -0.91 -1.64 0.00 0.00 178.16 175.15 1u6g h ASN 51 N -1.19 0.30 -0.04 -2.11 -0.26 -0.90 1.16 115.58 112.54 1u6g h ASN 51 Ca -0.11 0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1u6g h ASN 51 Cb 0.95 -0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 38.18 1u6g h ASN 51 CO 0.10 0.22 0.08 0.22 -1.06 0.00 0.00 177.43 176.99 1u6g h TYR 52 N 0.42 0.00 0.00 1.19 -0.00 -1.03 -2.59 116.97 114.97 1u6g h TYR 52 Ca 0.18 0.00 -0.39 0.00 -0.00 0.00 0.00 58.73 58.52 1u6g h TYR 52 Cb 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 36.73 36.74 1u6g h TYR 52 CO -0.10 0.00 -2.47 0.00 -0.00 0.00 0.00 178.16 175.59 1u6g n THR 54 N -3.23 3.20 0.00 0.00 -2.24 0.38 -5.01 114.28 107.39 1u6g n THR 54 Ca -0.45 -2.69 0.00 0.00 -2.27 0.00 0.00 64.05 58.65 1u6g n THR 54 Cb 1.00 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1u6g n THR 54 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1u6g n SER 55 N 0.54 0.00 0.00 3.42 7.64 -1.05 -4.86 113.62 119.31 1u6g n SER 55 Ca 0.45 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1u6g n SER 55 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1u6g n SER 55 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1u6g n VAL 84 N -0.02 0.00 0.16 0.44 0.24 -1.26 -5.16 118.33 112.73 1u6g n VAL 84 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1u6g n VAL 84 Cb 0.00 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.44 1u6g n VAL 84 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u6g n GLY 85 N -0.88 2.93 0.00 7.63 0.00 -1.26 -2.94 105.19 110.67 1u6g n GLY 85 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1u6g n GLY 85 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u6g n LEU 86 N -0.12 0.00 -0.06 0.99 7.94 -1.26 -4.71 117.00 119.78 1u6g n LEU 86 Ca 0.23 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 55.04 1u6g n LEU 86 Cb 0.94 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.81 1u6g n LEU 86 CO 0.23 0.00 0.22 -0.08 -1.11 0.00 0.00 177.39 176.65 1u6g h GLU 87 N 0.00 0.00 -0.65 1.96 4.22 -1.96 -1.33 114.58 116.81 1u6g h GLU 87 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.47 1u6g h GLU 87 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1u6g h GLU 87 CO 0.00 0.60 0.43 1.25 -2.18 0.00 0.00 179.01 179.11 1u6g h LEU 88 N -1.00 0.67 0.00 1.64 5.85 -1.87 -0.01 115.31 120.59 1u6g h LEU 88 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1u6g h LEU 88 Cb 0.61 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1u6g h LEU 88 CO -0.00 0.47 0.00 0.00 -0.34 0.00 0.00 178.44 178.56 1u6g n TYR 89 N -4.46 0.00 -0.33 1.25 9.36 -1.23 -1.54 117.16 120.21 1u6g n TYR 89 Ca 0.08 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.56 1u6g n TYR 89 Cb 0.12 -0.19 0.49 0.00 -0.63 0.00 0.00 39.34 39.13 1u6g n TYR 89 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1u6g n LYS 90 N -1.06 -0.07 -0.13 2.98 5.02 -0.50 0.19 118.16 124.59 1u6g n LYS 90 Ca 0.00 1.41 0.01 0.00 -2.02 0.00 0.00 58.31 57.71 1u6g n LYS 90 Cb 0.00 -2.44 0.28 0.00 -0.02 0.00 0.00 35.03 32.85 1u6g n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u6g h ARG 91 N 0.00 0.81 -0.13 1.97 3.08 -0.93 0.44 114.38 119.62 1u6g h ARG 91 Ca 0.76 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.63 1u6g h ARG 91 Cb 1.90 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.79 1u6g h ARG 91 CO -0.82 0.60 -0.31 -0.07 -1.07 0.00 0.00 179.97 178.29 1u6g h LEU 92 N 0.82 0.50 -0.69 3.04 3.38 0.32 -1.92 115.31 120.76 1u6g h LEU 92 Ca 0.21 -0.58 0.09 0.00 0.09 0.00 0.00 57.88 57.69 1u6g h LEU 92 Cb 0.02 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1u6g h LEU 92 CO -0.03 0.99 0.34 0.50 0.09 0.00 0.00 178.44 180.32 1u6g h LYS 93 N 0.04 0.56 0.90 1.13 3.64 0.01 -1.92 116.57 120.94 1u6g h LYS 93 Ca -0.00 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1u6g h LYS 93 Cb 0.92 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1u6g h LYS 93 CO 0.07 0.37 -0.43 0.93 -2.27 0.00 0.00 179.45 178.12 1u6g h GLU 94 N 0.58 -1.16 -1.27 1.90 3.07 -0.05 -1.63 114.58 116.02 1u6g h GLU 94 Ca 0.34 0.08 0.46 0.00 -0.50 0.00 0.00 59.36 59.73 1u6g h GLU 94 Cb 0.35 0.26 -0.15 0.00 -0.84 0.00 0.00 28.75 28.37 1u6g h GLU 94 CO -0.26 -0.77 0.79 0.34 -1.40 0.00 0.00 179.01 177.70 1u6g n PHE 95 N -5.27 0.82 0.01 4.33 7.35 -0.73 -0.23 117.46 123.74 1u6g n PHE 95 Ca -0.15 0.83 -0.12 0.00 -0.76 0.00 0.00 57.45 57.26 1u6g n PHE 95 Cb 0.48 -1.26 -0.09 0.00 0.35 0.00 0.00 39.48 38.96 1u6g n PHE 95 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1u6g h LEU 96 N 0.00 -0.09 -1.18 -2.13 4.07 -0.98 -3.08 115.31 111.92 1u6g h LEU 96 Ca 0.87 -0.51 0.04 0.00 0.08 0.00 0.00 57.88 58.36 1u6g h LEU 96 Cb 2.67 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 44.38 1u6g h LEU 96 CO -0.54 0.54 0.57 0.50 -1.08 0.00 0.00 178.44 178.42 1u6g h LYS 97 N -0.81 1.01 -1.43 1.13 3.64 0.19 -0.56 116.57 119.74 1u6g h LYS 97 Ca -0.01 -0.06 -0.37 0.00 -1.27 0.00 0.00 60.65 58.93 1u6g h LYS 97 Cb 0.60 -0.23 -0.16 0.00 -0.41 0.00 0.00 32.23 32.03 1u6g h LYS 97 CO 0.02 0.67 0.48 0.09 -2.27 0.00 0.00 179.45 178.44 1u6g n ASN 98 N -4.46 6.55 0.03 4.20 3.02 0.69 -2.39 115.26 122.90 1u6g n ASN 98 Ca 0.12 -3.17 0.00 0.00 -0.03 0.00 0.00 54.58 51.50 1u6g n ASN 98 Cb 0.13 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1u6g n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u6g n TYR 99 N 0.14 -0.52 -0.01 3.10 9.36 -0.36 -4.76 117.16 124.11 1u6g n TYR 99 Ca 0.35 0.09 -0.12 0.00 3.32 0.00 0.00 57.90 61.54 1u6g n TYR 99 Cb 0.61 0.52 -0.07 0.00 -0.63 0.00 0.00 39.34 39.77 1u6g n TYR 99 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1u6g h LEU 100 N 0.00 0.10 -0.74 2.98 3.38 -1.23 0.08 115.31 119.88 1u6g h LEU 100 Ca 0.00 -0.20 0.14 0.00 0.09 0.00 0.00 57.88 57.92 1u6g h LEU 100 Cb 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1u6g h LEU 100 CO 0.00 0.27 0.26 0.71 0.09 0.00 0.00 178.44 179.77 1u6g h THR 101 N -0.07 0.62 -0.02 0.22 1.35 -1.70 0.24 112.91 113.55 1u6g h THR 101 Ca 0.02 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1u6g h THR 101 Cb 0.21 0.20 -0.00 0.00 -1.73 0.00 0.00 68.15 66.83 1u6g h THR 101 CO -0.00 0.07 0.00 -1.13 -0.25 0.00 0.00 175.52 174.21 1u6g h ASN 102 N 0.39 0.03 -0.84 5.36 -0.73 -1.76 -2.99 115.58 115.04 1u6g h ASN 102 Ca 0.41 -0.28 0.18 0.00 1.87 0.00 0.00 56.30 58.47 1u6g h ASN 102 Cb 0.64 -0.01 -0.11 0.00 0.27 0.00 0.00 38.32 39.11 1u6g h ASN 102 CO -0.43 0.31 0.37 0.25 -0.37 0.00 0.00 177.43 177.56 1u6g h LEU 103 N -0.24 0.35 -1.49 0.34 5.85 0.10 0.90 115.31 121.12 1u6g h LEU 103 Ca 0.01 0.13 0.28 0.00 0.84 0.00 0.00 57.88 59.13 1u6g h LEU 103 Cb 0.29 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1u6g h LEU 103 CO 0.00 0.08 0.70 0.25 -0.34 0.00 0.00 178.44 179.13 1u6g h LEU 104 N 0.46 0.35 -2.24 2.25 5.85 -0.47 0.60 115.31 122.12 1u6g h LEU 104 Ca 0.49 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.29 1u6g h LEU 104 Cb 0.83 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1u6g h LEU 104 CO -0.45 0.06 0.04 0.11 -0.34 0.00 0.00 178.44 177.86 1u6g h LYS 105 N 0.31 0.00 0.00 1.25 1.57 -0.86 0.21 116.57 119.05 1u6g h LYS 105 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1u6g h LYS 105 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1u6g h LYS 105 CO -0.24 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.39 1u6g n ASP 106 N -4.14 0.01 0.00 0.86 9.92 0.21 -3.90 116.55 119.51 1u6g n ASP 106 Ca -0.02 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.74 1u6g n ASP 106 Cb 0.13 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1u6g n ASP 106 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u6g n GLY 107 N 0.63 0.55 0.31 0.44 0.00 -0.01 -4.81 105.19 102.31 1u6g n GLY 107 Ca 0.05 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.35 1u6g n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u6g n GLU 108 N -0.48 -0.04 -0.21 1.61 1.02 0.53 0.57 120.64 123.64 1u6g n GLU 108 Ca 0.00 1.00 0.07 0.00 -0.02 0.00 0.00 57.16 58.21 1u6g n GLU 108 Cb 0.00 -1.90 0.16 0.00 -0.02 0.00 0.00 31.44 29.69 1u6g n GLU 108 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1u6g n ASP 109 N -4.43 2.96 -4.82 1.62 8.00 -1.26 -5.01 116.55 113.61 1u6g n ASP 109 Ca 0.30 -2.66 -0.34 0.00 0.71 0.00 0.00 54.79 52.80 1u6g n ASP 109 Cb 1.11 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 41.79 1u6g n ASP 109 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1u6g s LEU 110 N -2.17 4.06 0.00 0.64 1.43 0.19 -5.03 118.68 117.81 1u6g s LEU 110 Ca 0.29 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1u6g s LEU 110 Cb 0.22 -4.27 0.00 0.00 0.03 0.00 0.00 46.19 42.17 1u6g s LEU 110 CO 0.07 -0.25 0.00 1.15 0.23 0.00 0.00 176.35 177.56 1u6g n MET 111 N -0.28 4.33 0.01 1.70 0.00 -1.26 -4.58 117.12 117.03 1u6g n MET 111 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1u6g n MET 111 Cb 0.53 -0.56 0.00 0.00 0.00 0.00 0.00 33.22 33.19 1u6g n MET 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1u6g n ASP 112 N -0.32 0.07 -0.60 3.17 8.00 -1.26 -4.69 116.55 120.92 1u6g n ASP 112 Ca 0.00 0.02 0.05 0.00 0.71 0.00 0.00 54.79 55.57 1u6g n ASP 112 Cb 0.00 -0.02 0.15 0.00 -0.02 0.00 0.00 41.12 41.23 1u6g n ASP 112 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u6g n GLU 113 N -2.59 2.88 -0.11 -1.24 4.71 -1.26 -4.27 120.64 118.76 1u6g n GLU 113 Ca 0.00 -2.07 -0.19 0.00 -0.01 0.00 0.00 57.16 54.89 1u6g n GLU 113 Cb 0.00 -1.29 -0.09 0.00 -1.01 0.00 0.00 31.44 29.04 1u6g n GLU 113 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1u6g n SER 114 N 0.33 2.05 -0.10 1.62 7.64 -1.26 -1.98 113.62 121.91 1u6g n SER 114 Ca 0.11 0.04 0.03 0.00 1.01 0.00 0.00 58.87 60.07 1u6g n SER 114 Cb 0.45 -0.47 0.35 0.00 -1.01 0.00 0.00 64.21 63.53 1u6g n SER 114 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1u6g h VAL 115 N -0.33 1.13 0.60 0.44 -1.51 -1.81 1.30 116.25 116.07 1u6g h VAL 115 Ca -0.52 -0.26 -0.03 0.00 -1.23 0.00 0.00 66.70 64.66 1u6g h VAL 115 Cb 1.65 0.31 0.01 0.00 -2.13 0.00 0.00 31.29 31.13 1u6g h VAL 115 CO -0.19 0.14 -0.29 -0.07 -1.23 0.00 0.00 177.57 175.93 1u6g h LEU 116 N 0.75 -0.68 -1.20 4.19 4.07 -1.74 2.25 115.31 122.94 1u6g h LEU 116 Ca 0.22 -0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.20 1u6g h LEU 116 Cb -0.04 0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 1u6g h LEU 116 CO -0.05 -0.44 0.55 0.50 -1.08 0.00 0.00 178.44 177.92 1u6g h LYS 117 N -0.88 1.02 0.03 1.13 3.11 -0.71 -0.88 116.57 119.38 1u6g h LYS 117 Ca -0.08 -0.06 -0.00 0.00 -2.81 0.00 0.00 60.65 57.69 1u6g h LYS 117 Cb 0.65 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1u6g h LYS 117 CO 0.14 0.67 -0.02 0.35 -2.81 0.00 0.00 179.45 177.78 1u6g h PHE 118 N 1.05 -0.04 -1.06 1.91 3.57 0.21 -2.05 116.94 120.53 1u6g h PHE 118 Ca 0.33 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 62.10 1u6g h PHE 118 Cb 0.01 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.67 1u6g h PHE 118 CO -0.00 -0.02 0.68 -0.92 -2.23 0.00 0.00 178.31 175.82 1u6g h TYR 119 N -0.07 0.62 0.00 0.41 5.03 0.38 0.21 116.97 123.56 1u6g h TYR 119 Ca -0.00 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 1u6g h TYR 119 Cb 0.03 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.14 1u6g h TYR 119 CO 0.12 0.04 -0.14 1.79 -1.32 0.00 0.00 178.16 178.66 1u6g h THR 120 N 0.36 1.61 -0.17 1.81 1.35 -1.25 -1.12 112.91 115.50 1u6g h THR 120 Ca 0.60 -1.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1u6g h THR 120 Cb 1.59 2.91 -0.01 0.00 -1.73 0.00 0.00 68.15 70.90 1u6g h THR 120 CO -0.29 0.53 0.11 -0.61 -0.25 0.00 0.00 175.52 175.01 1u6g h GLN 121 N -0.67 0.21 0.01 4.72 4.15 -0.58 -0.11 115.11 122.84 1u6g h GLN 121 Ca -0.02 -0.01 -0.24 0.00 0.77 0.00 0.00 58.65 59.14 1u6g h GLN 121 Cb 0.94 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.59 1u6g h GLN 121 CO 0.03 0.14 -1.00 1.96 -1.93 0.00 0.00 178.83 178.03 1u6g h GLN 122 N 0.22 0.51 0.22 1.69 1.08 -0.60 -3.13 115.11 115.10 1u6g h GLN 122 Ca 0.06 -0.56 -0.01 0.00 -1.45 0.00 0.00 58.65 56.69 1u6g h GLN 122 Cb -0.01 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1u6g h GLN 122 CO -0.01 1.19 -0.10 2.35 -0.95 0.00 0.00 178.83 181.31 1u6g h TRP 123 N 0.28 -0.27 -0.86 2.96 2.91 -0.07 -1.20 115.95 119.70 1u6g h TRP 123 Ca -0.10 -0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.09 1u6g h TRP 123 Cb 1.64 0.09 -0.11 0.00 -0.51 0.00 0.00 29.16 30.27 1u6g h TRP 123 CO 0.08 0.05 0.40 1.49 -1.03 0.00 0.00 178.44 179.43 1u6g h GLU 124 N -0.61 0.48 0.23 2.65 4.81 -1.17 -0.25 114.58 120.71 1u6g h GLU 124 Ca -0.03 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1u6g h GLU 124 Cb 0.44 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1u6g h GLU 124 CO 0.05 0.32 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.09 1u6g h ASP 125 N 0.49 -0.26 -0.81 1.04 3.45 -1.48 -3.01 116.42 115.84 1u6g h ASP 125 Ca 0.51 -0.25 0.15 0.00 0.43 0.00 0.00 57.03 57.87 1u6g h ASP 125 Cb 0.85 0.07 -0.06 0.00 -0.56 0.00 0.00 39.33 39.63 1u6g h ASP 125 CO -0.45 0.15 0.54 0.22 -1.57 0.00 0.00 179.24 178.13 1u6g h TYR 126 N -0.73 0.61 0.64 4.55 3.20 -0.62 -0.45 116.97 124.17 1u6g h TYR 126 Ca -0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1u6g h TYR 126 Cb 0.49 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.58 1u6g h TYR 126 CO 0.04 0.23 -0.31 0.00 -1.64 0.00 0.00 178.16 176.48 1u6g h ARG 127 N 0.52 -0.82 -0.27 1.82 3.08 -1.06 -1.46 114.38 116.18 1u6g h ARG 127 Ca 0.40 0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.57 1u6g h ARG 127 Cb 0.82 0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.99 1u6g h ARG 127 CO -0.15 -0.55 -0.13 0.35 -1.07 0.00 0.00 179.97 178.42 1u6g h PHE 128 N -0.89 -0.31 -0.64 3.04 3.57 -1.32 0.17 116.94 120.55 1u6g h PHE 128 Ca -0.09 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.55 1u6g h PHE 128 Cb 0.66 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 1u6g h PHE 128 CO 0.07 -0.20 0.23 0.77 -2.23 0.00 0.00 178.31 176.95 1u6g h SER 129 N -0.09 0.20 0.10 0.41 0.02 -1.12 0.46 113.55 113.52 1u6g h SER 129 Ca 0.14 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.08 1u6g h SER 129 Cb 0.31 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1u6g h SER 129 CO -0.33 0.11 -0.32 0.28 -1.14 0.00 0.00 176.83 175.42 1u6g h SER 130 N 0.39 0.34 -0.33 3.07 0.02 -0.47 0.12 113.55 116.70 1u6g h SER 130 Ca 0.33 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1u6g h SER 130 Cb 0.45 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1u6g h SER 130 CO -0.34 0.65 0.16 0.11 -1.14 0.00 0.00 176.83 176.27 1u6g h LYS 131 N 0.29 0.53 0.13 3.45 1.57 0.14 0.46 116.57 123.13 1u6g h LYS 131 Ca 0.04 -0.06 -0.30 0.00 -1.87 0.00 0.00 60.65 58.45 1u6g h LYS 131 Cb 0.72 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.95 1u6g h LYS 131 CO 0.05 0.43 -1.26 0.28 -0.57 0.00 0.00 179.45 178.38 1u6g h VAL 132 N 0.53 1.29 0.47 0.50 2.07 -0.33 -2.05 116.25 118.73 1u6g h VAL 132 Ca 0.13 -2.50 -0.02 0.00 0.82 0.00 0.00 66.70 65.13 1u6g h VAL 132 Cb 0.10 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1u6g h VAL 132 CO -0.01 0.76 -0.23 0.25 0.02 0.00 0.00 177.57 178.36 1u6g h LEU 133 N 0.26 -0.53 -1.59 2.57 5.85 -0.25 -0.65 115.31 120.98 1u6g h LEU 133 Ca -0.19 -0.01 0.32 0.00 0.84 0.00 0.00 57.88 58.84 1u6g h LEU 133 Cb 1.94 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 43.02 1u6g h LEU 133 CO 0.24 -0.34 0.77 -1.13 -0.34 0.00 0.00 178.44 177.64 1u6g h ASN 134 N -0.69 0.26 -0.19 1.25 -0.73 -0.16 0.36 115.58 115.69 1u6g h ASN 134 Ca -0.06 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 1u6g h ASN 134 Cb 0.51 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1u6g h ASN 134 CO 0.11 0.01 -0.02 1.23 -0.37 0.00 0.00 177.43 178.39 1u6g h GLY 135 N 0.21 0.37 0.87 1.57 0.00 -0.41 -3.14 103.07 102.54 1u6g h GLY 135 Ca 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 1u6g h GLY 135 CO -0.22 0.26 0.06 -2.22 0.00 0.00 0.00 176.54 174.42 1u6g h ILE 136 N 0.08 1.21 0.00 2.60 2.04 0.81 -3.12 117.51 121.13 1u6g h ILE 136 Ca 0.05 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1u6g h ILE 136 Cb 0.43 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1u6g h ILE 136 CO 0.01 0.22 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1u6g h ALA 138 N 2.15 -1.21 -0.10 0.00 0.00 -1.60 -1.87 119.26 116.63 1u6g h ALA 138 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1u6g h ALA 138 Cb 0.58 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1u6g h ALA 138 CO 0.00 -1.19 0.13 1.88 0.00 0.00 0.00 179.25 180.07 1u6g h TYR 139 N -1.06 0.00 -0.01 0.00 -1.99 -1.90 0.15 116.97 112.16 1u6g h TYR 139 Ca -0.08 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.46 1u6g h TYR 139 Cb 0.87 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 1u6g h TYR 139 CO -0.15 0.00 -0.81 1.25 -0.00 0.00 0.00 178.16 178.45 1u6g h LEU 140 N 0.00 0.21 0.12 3.88 7.12 -1.78 -2.95 115.31 121.91 1u6g h LEU 140 Ca 0.05 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.89 1u6g h LEU 140 Cb 0.32 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.38 1u6g h LEU 140 CO -0.00 0.93 -0.06 0.78 -0.13 0.00 0.00 178.44 179.96 1u6g h ASN 141 N 0.10 -0.13 0.03 1.25 -0.26 0.06 -3.41 115.58 113.22 1u6g h ASN 141 Ca -0.03 -0.37 -0.14 0.00 -0.56 0.00 0.00 56.30 55.19 1u6g h ASN 141 Cb 1.41 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.69 1u6g h ASN 141 CO 0.12 0.33 -0.76 0.03 -1.06 0.00 0.00 177.43 176.10 1u6g h ARG 142 N -0.64 0.06 0.00 0.81 3.08 -1.25 -3.41 114.38 113.03 1u6g h ARG 142 Ca -0.02 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1u6g h ARG 142 Cb 0.50 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 1u6g h ARG 142 CO 0.03 1.05 -0.01 0.45 -1.07 0.00 0.00 179.97 180.42 1u6g h HIS 143 N -0.85 0.00 0.00 3.04 3.86 -1.78 -3.33 115.15 116.09 1u6g h HIS 143 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1u6g h HIS 143 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1u6g h HIS 143 CO 0.18 0.18 0.00 0.91 0.86 0.00 0.00 177.93 180.06 1u6g n TRP 144 N -4.75 0.00 0.00 2.45 7.02 -1.25 -4.30 117.44 116.61 1u6g n TRP 144 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1u6g n TRP 144 Cb 0.09 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 1u6g n TRP 144 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 1u6g n VAL 145 N -0.00 0.00 -3.60 -0.99 0.24 -1.25 -5.02 118.33 107.71 1u6g n VAL 145 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1u6g n VAL 145 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1u6g n VAL 145 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1u6g s ARG 146 N 0.27 0.49 0.10 7.34 0.52 -1.25 -5.10 118.95 121.33 1u6g s ARG 146 Ca 0.00 0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 56.17 1u6g s ARG 146 Cb 0.00 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.74 1u6g s ARG 146 CO 0.00 -0.13 0.03 0.50 0.02 0.00 0.00 175.30 175.73 1u6g s ARG 147 N 1.93 0.83 0.00 3.54 6.06 -1.26 -4.81 118.95 125.24 1u6g s ARG 147 Ca -0.07 -1.35 0.00 0.00 -2.50 0.00 0.00 55.73 51.80 1u6g s ARG 147 Cb -0.06 0.24 0.00 0.00 0.06 0.00 0.00 34.95 35.19 1u6g s ARG 147 CO -0.18 -0.21 0.00 0.39 -2.50 0.00 0.00 175.30 172.80 1u6g n GLU 148 N -0.03 0.00 -1.16 5.12 -0.58 -1.26 -5.16 120.64 117.58 1u6g n GLU 148 Ca -0.08 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 1u6g n GLU 148 Cb 0.63 -2.16 0.21 0.00 -0.57 0.00 0.00 31.44 29.54 1u6g n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u6g n LYS 154 N -0.92 0.00 -2.60 0.00 4.81 -1.26 -5.20 118.16 112.99 1u6g n LYS 154 Ca 0.54 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.63 1u6g n LYS 154 Cb 1.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.63 1u6g n LYS 154 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u6g n GLY 155 N 2.04 5.87 3.05 3.14 0.00 -1.26 -4.95 105.19 113.09 1u6g n GLY 155 Ca 0.00 -2.65 -0.32 0.00 0.00 0.00 0.00 46.02 43.05 1u6g n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u6g s ILE 156 N -4.63 2.02 0.44 -0.61 1.01 -1.26 -5.05 121.20 113.13 1u6g s ILE 156 Ca 0.45 -1.47 0.07 0.00 0.00 0.00 0.00 60.65 59.71 1u6g s ILE 156 Cb 0.28 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1u6g s ILE 156 CO -0.18 0.02 0.34 -0.31 0.00 0.00 0.00 174.94 174.81 1u6g s TYR 157 N 1.19 2.44 -0.18 3.97 1.51 -1.26 -5.04 117.35 119.97 1u6g s TYR 157 Ca -0.07 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 1u6g s TYR 157 Cb -0.19 -2.07 -0.22 0.00 -0.11 0.00 0.00 41.96 39.38 1u6g s TYR 157 CO -0.06 -0.13 0.09 0.39 -1.11 0.00 0.00 175.55 174.73 1u6g n GLU 158 N -1.52 0.69 -0.05 -0.62 -0.58 -1.26 -2.90 120.64 114.40 1u6g n GLU 158 Ca 0.01 0.19 0.04 0.00 -0.42 0.00 0.00 57.16 56.99 1u6g n GLU 158 Cb 0.63 -1.61 0.41 0.00 -0.57 0.00 0.00 31.44 30.29 1u6g n GLU 158 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1u6g h ILE 159 N 0.03 1.09 0.05 -3.67 6.09 -1.93 2.05 117.51 121.22 1u6g h ILE 159 Ca -0.50 -0.21 -0.09 0.00 -1.37 0.00 0.00 64.86 62.69 1u6g h ILE 159 Cb 1.99 0.42 0.00 0.00 0.47 0.00 0.00 36.82 39.71 1u6g h ILE 159 CO 0.00 0.11 -0.43 0.22 -3.07 0.00 0.00 178.15 174.98 1u6g h TYR 160 N 0.61 0.19 -0.19 2.19 3.20 -1.89 -2.75 116.97 118.34 1u6g h TYR 160 Ca 0.19 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1u6g h TYR 160 Cb 0.01 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1u6g h TYR 160 CO -0.00 1.17 0.28 0.77 -1.64 0.00 0.00 178.16 178.74 1u6g h SER 161 N -0.77 0.00 0.25 -2.11 0.02 -1.16 1.25 113.55 111.04 1u6g h SER 161 Ca -0.09 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 1u6g h SER 161 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1u6g h SER 161 CO 0.03 0.00 -0.76 0.25 -1.14 0.00 0.00 176.83 175.21 1u6g h LEU 162 N 0.00 0.51 -0.12 5.07 7.12 0.34 -1.79 115.31 126.43 1u6g h LEU 162 Ca 0.09 -0.34 -0.10 0.00 0.13 0.00 0.00 57.88 57.65 1u6g h LEU 162 Cb 0.65 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1u6g h LEU 162 CO -0.00 1.09 -0.33 0.00 -0.13 0.00 0.00 178.44 179.07 1u6g h ALA 163 N 0.89 0.20 -0.27 1.25 0.00 0.17 -2.72 119.26 118.79 1u6g h ALA 163 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1u6g h ALA 163 Cb 1.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1u6g h ALA 163 CO 0.13 0.25 0.18 -0.07 0.00 0.00 0.00 179.25 179.74 1u6g h LEU 164 N 0.03 0.30 -0.87 0.00 3.38 -0.83 -2.32 115.31 115.01 1u6g h LEU 164 Ca -0.01 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1u6g h LEU 164 Cb 0.94 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1u6g h LEU 164 CO 0.07 0.22 0.57 0.58 0.09 0.00 0.00 178.44 179.97 1u6g h VAL 165 N 0.36 1.20 -0.18 1.22 2.07 -1.38 -1.86 116.25 117.70 1u6g h VAL 165 Ca 0.10 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1u6g h VAL 165 Cb -0.04 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 1u6g h VAL 165 CO -0.02 0.21 -0.50 0.71 0.02 0.00 0.00 177.57 177.98 1u6g h THR 166 N 1.16 1.32 -0.46 2.57 1.35 -1.36 -3.04 112.91 114.46 1u6g h THR 166 Ca 0.32 -1.74 -0.09 0.00 -0.55 0.00 0.00 66.41 64.35 1u6g h THR 166 Cb -0.11 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1u6g h THR 166 CO -0.08 0.54 -0.10 -0.25 -0.25 0.00 0.00 175.52 175.38 1u6g h TRP 167 N 0.38 0.91 0.00 4.73 2.91 -0.98 -0.35 115.95 123.56 1u6g h TRP 167 Ca 0.02 -0.17 0.00 0.00 1.13 0.00 0.00 58.89 59.87 1u6g h TRP 167 Cb 1.02 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 1u6g h TRP 167 CO 0.04 0.88 0.00 2.89 -1.03 0.00 0.00 178.44 181.22 1u6g n ARG 168 N -4.16 0.02 -1.14 2.65 1.85 -0.74 0.20 116.66 115.34 1u6g n ARG 168 Ca 0.02 0.41 -0.20 0.00 -1.00 0.00 0.00 57.85 57.08 1u6g n ARG 168 Cb 0.36 -1.54 0.19 0.00 -1.05 0.00 0.00 32.46 30.43 1u6g n ARG 168 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1u6g n ASP 169 N -1.57 3.91 0.00 2.89 10.43 -0.14 -1.99 116.55 130.07 1u6g n ASP 169 Ca 0.01 -3.46 0.00 0.00 2.57 0.00 0.00 54.79 53.91 1u6g n ASP 169 Cb 0.08 -0.81 0.00 0.00 1.84 0.00 0.00 41.12 42.23 1u6g n ASP 169 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1u6g h LEU 171 N 0.00 0.13 -2.33 0.00 6.46 -0.52 -3.14 115.31 115.92 1u6g h LEU 171 Ca 0.00 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1u6g h LEU 171 Cb 0.01 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1u6g h LEU 171 CO 0.00 0.82 0.00 -0.26 -0.62 0.00 0.00 178.44 178.38 1u6g h PHE 172 N -0.55 0.00 0.02 1.25 -1.00 -1.68 -2.82 116.94 112.15 1u6g h PHE 172 Ca -0.01 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1u6g h PHE 172 Cb 0.83 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.39 1u6g h PHE 172 CO 0.17 0.00 -0.01 0.00 -1.61 0.00 0.00 178.31 176.86 1u6g h ARG 173 N 0.00 -0.02 0.00 1.51 2.47 -1.84 -3.43 114.38 113.07 1u6g h ARG 173 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1u6g h ARG 173 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1u6g h ARG 173 CO 0.00 -0.01 -0.11 -1.35 0.56 0.00 0.00 179.97 179.06 1u6g h PRO 174 N -0.05 0.00 0.00 0.04 0.11 -1.61 -3.45 132.00 127.04 1u6g h PRO 174 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u6g h PRO 174 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1u6g h PRO 174 CO 0.00 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.68 1u6g n LEU 175 N -4.37 0.00 -0.10 2.35 0.00 -1.07 -2.81 117.00 111.01 1u6g n LEU 175 Ca -0.02 0.57 0.01 0.00 0.00 0.00 0.00 56.01 56.57 1u6g n LEU 175 Cb 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 43.42 43.44 1u6g n LEU 175 CO 0.02 -0.07 0.18 0.59 0.00 0.00 0.00 177.39 178.12 1u6g n ASN 176 N -1.21 -0.12 -1.09 1.96 4.13 -1.23 0.20 115.26 117.91 1u6g n ASN 176 Ca 0.00 0.48 0.02 0.00 1.68 0.00 0.00 54.58 56.76 1u6g n ASN 176 Cb 0.00 -0.14 0.24 0.00 -1.54 0.00 0.00 39.78 38.34 1u6g n ASN 176 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1u6g n LYS 177 N -4.45 2.51 0.00 3.52 3.00 -1.25 -4.68 118.16 116.82 1u6g n LYS 177 Ca 0.04 -2.99 0.00 0.00 -0.00 0.00 0.00 58.31 55.37 1u6g n LYS 177 Cb 0.13 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.30 1u6g n LYS 177 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1u6g n GLN 178 N -0.76 0.00 -0.15 1.64 7.27 0.54 -4.79 117.38 121.13 1u6g n GLN 178 Ca 0.28 0.00 0.26 0.00 0.07 0.00 0.00 57.00 57.61 1u6g n GLN 178 Cb 1.00 0.00 0.46 0.00 2.41 0.00 0.00 30.24 34.11 1u6g n GLN 178 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1u6g h VAL 179 N 0.00 0.05 0.16 1.69 2.07 -1.60 2.09 116.25 120.71 1u6g h VAL 179 Ca 0.00 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.21 1u6g h VAL 179 Cb 0.00 0.10 0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1u6g h VAL 179 CO 0.00 0.00 -1.31 0.74 0.02 0.00 0.00 177.57 177.02 1u6g h THR 180 N 0.00 1.29 -0.30 2.57 2.02 -1.82 -3.00 112.91 113.67 1u6g h THR 180 Ca 0.43 -2.53 -0.05 0.00 0.77 0.00 0.00 66.41 65.03 1u6g h THR 180 Cb 2.63 2.81 -0.01 0.00 -1.74 0.00 0.00 68.15 71.84 1u6g h THR 180 CO -0.00 0.77 0.01 0.78 0.37 0.00 0.00 175.52 177.44 1u6g h ASN 181 N 0.22 0.51 -0.92 4.18 4.21 0.30 -0.70 115.58 123.38 1u6g h ASN 181 Ca -0.21 -0.30 0.16 0.00 1.21 0.00 0.00 56.30 57.16 1u6g h ASN 181 Cb 1.99 -0.14 -0.08 0.00 -1.12 0.00 0.00 38.32 38.97 1u6g h ASN 181 CO 0.25 0.69 0.59 0.00 -1.29 0.00 0.00 177.43 177.67 1u6g h ALA 182 N 0.84 1.86 0.28 -0.83 0.00 -1.21 0.10 119.26 120.31 1u6g h ALA 182 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1u6g h ALA 182 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1u6g h ALA 182 CO 0.01 -0.14 -0.13 0.28 0.00 0.00 0.00 179.25 179.27 1u6g h VAL 183 N 0.67 0.73 -0.71 0.00 2.07 -1.27 -1.79 116.25 115.95 1u6g h VAL 183 Ca 0.48 -0.67 0.18 0.00 0.82 0.00 0.00 66.70 67.51 1u6g h VAL 183 Cb 0.83 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1u6g h VAL 183 CO -0.23 0.13 0.50 -0.07 0.02 0.00 0.00 177.57 177.91 1u6g h LEU 184 N -0.75 0.12 -0.11 2.57 3.38 -0.10 0.32 115.31 120.74 1u6g h LEU 184 Ca -0.04 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1u6g h LEU 184 Cb 0.50 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1u6g h LEU 184 CO 0.06 0.06 -0.68 0.11 0.09 0.00 0.00 178.44 178.08 1u6g h LYS 185 N 0.13 0.66 -0.55 1.13 1.79 -0.70 -0.80 116.57 118.23 1u6g h LYS 185 Ca 0.34 -0.56 -0.11 0.00 -2.18 0.00 0.00 60.65 58.14 1u6g h LYS 185 Cb 1.17 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1u6g h LYS 185 CO -0.05 1.18 -0.08 1.25 -1.08 0.00 0.00 179.45 180.67 1u6g h LEU 186 N 0.33 1.03 -0.61 2.94 5.85 -0.11 -0.42 115.31 124.31 1u6g h LEU 186 Ca -0.05 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1u6g h LEU 186 Cb 1.32 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1u6g h LEU 186 CO 0.14 1.13 0.26 0.40 -0.34 0.00 0.00 178.44 180.02 1u6g h ILE 187 N 0.91 1.23 -0.77 4.05 2.04 -0.42 -1.45 117.51 123.08 1u6g h ILE 187 Ca 0.15 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1u6g h ILE 187 Cb 0.65 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1u6g h ILE 187 CO 0.04 0.27 0.51 -0.08 0.00 0.00 0.00 178.15 178.89 1u6g h GLU 188 N 0.84 0.85 0.64 2.37 4.81 -0.62 -0.38 114.58 123.10 1u6g h GLU 188 Ca 0.20 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1u6g h GLU 188 Cb 0.18 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1u6g h GLU 188 CO -0.02 0.56 -0.38 0.87 -0.73 0.00 0.00 179.01 179.31 1u6g h LYS 189 N 0.88 -0.92 -0.43 1.92 1.79 -0.08 -1.25 116.57 118.48 1u6g h LYS 189 Ca 0.32 0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.91 1u6g h LYS 189 Cb 0.16 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1u6g h LYS 189 CO -0.10 -0.62 0.29 1.49 -1.08 0.00 0.00 179.45 179.43 1u6g h GLU 190 N -0.96 0.36 0.00 3.15 4.81 -0.77 0.22 114.58 121.39 1u6g h GLU 190 Ca -0.08 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1u6g h GLU 190 Cb 0.77 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1u6g h GLU 190 CO 0.09 0.24 -0.15 0.00 -0.73 0.00 0.00 179.01 178.46 1u6g h ARG 191 N 0.38 0.00 -0.63 1.92 3.08 -0.57 -1.95 114.38 116.60 1u6g h ARG 191 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1u6g h ARG 191 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1u6g h ARG 191 CO -0.04 0.15 0.00 0.09 -1.07 0.00 0.00 179.97 179.10 1u6g n ASN 192 N -3.31 3.89 0.00 7.04 3.02 0.57 -4.90 115.26 121.57 1u6g n ASN 192 Ca 0.00 -2.28 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 1u6g n ASN 192 Cb 0.38 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1u6g n ASN 192 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u6g n GLY 193 N 1.13 0.64 3.62 7.41 0.00 -0.73 -5.04 105.19 112.22 1u6g n GLY 193 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1u6g n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u6g s GLU 194 N -0.77 3.81 0.20 1.61 2.02 -0.06 -4.94 118.70 120.57 1u6g s GLU 194 Ca 0.00 1.15 -0.32 0.00 0.02 0.00 0.00 54.97 55.82 1u6g s GLU 194 Cb 0.00 -3.93 -0.12 0.00 0.10 0.00 0.00 34.13 30.18 1u6g s GLU 194 CO 0.00 -1.26 1.71 2.41 0.02 0.00 0.00 175.26 178.14 1u6g n THR 195 N 6.49 0.02 -4.39 3.63 -1.04 -1.26 -3.35 114.28 114.36 1u6g n THR 195 Ca 0.15 -0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.96 1u6g n THR 195 Cb 0.47 -1.94 -0.10 0.00 -1.82 0.00 0.00 70.33 66.94 1u6g n THR 195 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1u6g s ILE 196 N 1.21 1.62 -0.48 12.58 -4.36 -1.26 -4.96 121.20 125.54 1u6g s ILE 196 Ca 0.76 -2.14 -0.24 0.00 -0.26 0.00 0.00 60.65 58.77 1u6g s ILE 196 Cb -0.52 -2.31 0.03 0.00 1.25 0.00 0.00 42.46 40.90 1u6g s ILE 196 CO 0.33 -0.39 0.85 0.21 0.24 0.00 0.00 174.94 176.17 1u6g s ASN 197 N -3.39 6.40 0.51 4.36 3.84 -1.26 -4.89 114.94 120.51 1u6g s ASN 197 Ca 0.27 -0.16 0.32 0.00 0.21 0.00 0.00 52.86 53.51 1u6g s ASN 197 Cb 0.02 -2.41 1.35 0.00 -0.55 0.00 0.00 41.25 39.66 1u6g s ASN 197 CO 0.10 -1.03 1.95 0.71 -2.79 0.00 0.00 177.10 176.05 1u6g h THR 198 N 6.01 0.00 0.00 -5.21 1.35 -2.01 -2.96 112.91 110.09 1u6g h THR 198 Ca -0.25 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1u6g h THR 198 Cb 1.08 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1u6g h THR 198 CO 1.01 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.82 1u6g n ARG 199 N -2.94 0.01 0.19 4.72 1.74 -1.26 -1.27 116.66 117.84 1u6g n ARG 199 Ca 0.01 0.19 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1u6g n ARG 199 Cb 0.28 -1.52 0.21 0.00 -1.02 0.00 0.00 32.46 30.42 1u6g n ARG 199 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1u6g h LEU 200 N 0.00 0.00 0.00 0.55 3.38 -1.89 -2.89 115.31 114.46 1u6g h LEU 200 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1u6g h LEU 200 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1u6g h LEU 200 CO 0.00 0.30 -1.24 -0.38 0.09 0.00 0.00 178.44 177.21 1u6g n ILE 201 N -3.25 1.52 -0.05 1.22 5.41 -0.40 -3.99 119.36 119.81 1u6g n ILE 201 Ca 0.02 -0.02 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 1u6g n ILE 201 Cb 0.58 -2.07 -0.09 0.00 -0.71 0.00 0.00 39.64 37.35 1u6g n ILE 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1u6g h SER 202 N -1.00 -1.69 -0.81 4.38 0.02 -1.38 -1.20 113.55 111.87 1u6g h SER 202 Ca -0.33 0.21 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 1u6g h SER 202 Cb 1.23 0.67 -0.15 0.00 0.14 0.00 0.00 62.40 64.29 1u6g h SER 202 CO -0.20 -0.43 -0.24 1.23 -1.14 0.00 0.00 176.83 176.05 1u6g h GLY 203 N -0.49 0.46 0.04 -3.77 0.00 -1.73 -0.08 103.07 97.51 1u6g h GLY 203 Ca 0.04 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1u6g h GLY 203 CO -0.47 -0.29 -0.07 -2.08 0.00 0.00 0.00 176.54 173.63 1u6g h VAL 204 N -0.02 0.00 -0.78 4.60 2.07 -1.37 -1.82 116.25 118.92 1u6g h VAL 204 Ca 0.37 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.08 1u6g h VAL 204 Cb 0.60 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.23 1u6g h VAL 204 CO -0.84 0.00 0.07 0.58 0.02 0.00 0.00 177.57 177.40 1u6g h VAL 205 N -0.12 0.35 -0.57 2.57 2.07 -0.88 0.50 116.25 120.17 1u6g h VAL 205 Ca -0.01 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1u6g h VAL 205 Cb 0.11 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.04 1u6g h VAL 205 CO -0.02 0.03 0.38 1.56 0.02 0.00 0.00 177.57 179.53 1u6g h GLN 206 N 0.14 0.56 0.55 1.57 4.20 -0.89 -0.61 115.11 120.64 1u6g h GLN 206 Ca 0.44 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.09 1u6g h GLN 206 Cb 0.81 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.47 1u6g h GLN 206 CO -0.65 0.37 -0.26 1.03 -0.67 0.00 0.00 178.83 178.65 1u6g h SER 207 N 0.58 -0.62 -1.00 1.46 0.87 0.83 -2.39 113.55 113.28 1u6g h SER 207 Ca 0.24 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.96 1u6g h SER 207 Cb 0.22 0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.19 1u6g h SER 207 CO -0.07 -0.35 -0.42 -1.22 -0.53 0.00 0.00 176.83 174.24 1u6g n TYR 208 N -4.50 -0.05 -0.07 2.24 4.02 -0.51 -0.18 117.16 118.11 1u6g n TYR 208 Ca -0.09 1.23 -0.09 0.00 -0.01 0.00 0.00 57.90 58.94 1u6g n TYR 208 Cb 0.29 -0.82 -0.03 0.00 -0.02 0.00 0.00 39.34 38.76 1u6g n TYR 208 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1u6g h VAL 209 N 0.00 0.23 0.00 -0.72 2.07 -1.11 -1.04 116.25 115.68 1u6g h VAL 209 Ca 0.31 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 1u6g h VAL 209 Cb 0.56 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1u6g h VAL 209 CO -0.98 0.00 -0.10 -0.08 0.02 0.00 0.00 177.57 176.43 1u6g h GLU 210 N -0.33 0.00 -0.26 1.57 4.81 -0.06 -1.78 114.58 118.53 1u6g h GLU 210 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1u6g h GLU 210 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1u6g h GLU 210 CO -0.47 0.10 0.00 1.28 -0.73 0.00 0.00 179.01 179.19 1u6g n LEU 211 N -3.40 0.26 -4.54 1.64 7.99 0.74 -4.72 117.00 114.98 1u6g n LEU 211 Ca -0.01 -0.13 -0.43 0.00 -0.01 0.00 0.00 56.01 55.43 1u6g n LEU 211 Cb 0.27 -0.13 -0.07 0.00 -0.11 0.00 0.00 43.42 43.38 1u6g n LEU 211 CO 0.29 0.07 0.38 -0.83 -1.51 0.00 0.00 177.39 175.78 1u6g s GLY 212 N -0.76 1.73 0.00 -0.72 0.00 -0.67 -4.90 107.32 102.00 1u6g s GLY 212 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1u6g s GLY 212 CO 0.00 1.51 0.00 -0.10 0.00 0.00 0.00 173.10 174.51 1u6g n LEU 213 N 6.18 0.00 -0.82 0.66 7.94 -1.26 -4.83 117.00 124.86 1u6g n LEU 213 Ca -0.02 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.90 1u6g n LEU 213 Cb 0.48 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.42 1u6g n LEU 213 CO 0.52 0.00 -0.28 0.61 -1.11 0.00 0.00 177.39 177.13 1u6g n GLY 221 N 0.00 -3.39 0.06 -3.96 0.00 -1.26 -4.89 105.19 91.75 1u6g n GLY 221 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.93 1u6g n GLY 221 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u6g n PRO 222 N -2.35 -0.02 -2.83 1.61 -0.02 -1.26 -4.41 135.00 125.73 1u6g n PRO 222 Ca -0.01 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1u6g n PRO 222 Cb 0.28 -0.40 -0.04 0.00 -0.02 0.00 0.00 33.50 33.32 1u6g n PRO 222 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1u6g s THR 223 N -5.21 4.73 0.00 3.45 2.01 -1.26 -4.87 115.64 114.49 1u6g s THR 223 Ca -0.03 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.50 1u6g s THR 223 Cb 0.04 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1u6g s THR 223 CO 0.13 -0.23 0.54 0.18 -0.69 0.00 0.00 174.62 174.55 1u6g n LEU 224 N 6.30 0.95 0.06 4.42 4.77 -1.26 -4.72 117.00 127.51 1u6g n LEU 224 Ca 0.07 -0.95 -0.08 0.00 -0.03 0.00 0.00 56.01 55.02 1u6g n LEU 224 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1u6g n LEU 224 CO 0.51 0.24 0.51 0.74 -1.33 0.00 0.00 177.39 178.06 1u6g h THR 225 N 0.61 0.00 -0.59 -5.08 2.02 -1.94 0.30 112.91 108.23 1u6g h THR 225 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1u6g h THR 225 Cb 0.38 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.67 1u6g h THR 225 CO 0.00 0.00 -0.16 -0.37 0.37 0.00 0.00 175.52 175.36 1u6g h VAL 226 N -0.38 0.39 0.16 3.16 -1.51 -1.89 0.90 116.25 117.08 1u6g h VAL 226 Ca -0.00 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.47 1u6g h VAL 226 Cb 0.38 0.39 -0.04 0.00 -2.13 0.00 0.00 31.29 29.89 1u6g h VAL 226 CO -0.14 0.00 -0.47 0.22 -1.23 0.00 0.00 177.57 175.96 1u6g h TYR 227 N -0.02 -1.34 0.66 5.19 -0.00 -1.55 0.38 116.97 120.29 1u6g h TYR 227 Ca 0.28 0.03 -0.03 0.00 -0.00 0.00 0.00 58.73 59.02 1u6g h TYR 227 Cb 0.45 0.56 -0.01 0.00 -0.00 0.00 0.00 36.73 37.73 1u6g h TYR 227 CO -0.50 -0.54 -0.45 0.87 -0.00 0.00 0.00 178.16 177.55 1u6g h LYS 228 N -0.70 -1.01 -0.98 1.82 1.57 0.54 0.10 116.57 117.92 1u6g h LYS 228 Ca -0.01 0.07 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 1u6g h LYS 228 Cb 0.69 0.23 -0.09 0.00 0.08 0.00 0.00 32.23 33.14 1u6g h LYS 228 CO -0.23 -0.67 0.61 1.49 -0.57 0.00 0.00 179.45 180.09 1u6g h GLU 229 N -1.05 0.80 -0.02 3.15 4.81 0.82 -2.19 114.58 120.91 1u6g h GLU 229 Ca -0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1u6g h GLU 229 Cb 0.85 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1u6g h GLU 229 CO 0.06 0.53 -0.27 0.43 -0.73 0.00 0.00 179.01 179.03 1u6g n SER 230 N -4.65 1.95 0.14 1.04 7.64 0.12 -4.87 113.62 114.99 1u6g n SER 230 Ca 0.20 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1u6g n SER 230 Cb 0.47 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1u6g n SER 230 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1u6g n PHE 231 N 0.21 -2.73 -0.13 1.43 7.35 0.28 -4.86 117.46 119.01 1u6g n PHE 231 Ca 0.08 0.64 -0.06 0.00 -0.76 0.00 0.00 57.45 57.35 1u6g n PHE 231 Cb 0.40 1.35 0.00 0.00 0.35 0.00 0.00 39.48 41.58 1u6g n PHE 231 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1u6g h GLU 232 N 0.00 -0.18 -0.39 -4.13 4.81 -1.15 0.49 114.58 114.02 1u6g h GLU 232 Ca 0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1u6g h GLU 232 Cb 0.00 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.34 1u6g h GLU 232 CO 0.00 -0.12 -0.19 1.03 -0.73 0.00 0.00 179.01 179.00 1u6g h SER 233 N -0.19 -0.65 -0.17 1.04 0.87 -1.67 0.85 113.55 113.63 1u6g h SER 233 Ca 0.20 0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.76 1u6g h SER 233 Cb 0.50 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1u6g h SER 233 CO -0.54 -0.22 -0.39 1.56 -0.53 0.00 0.00 176.83 176.71 1u6g h GLN 234 N -0.12 0.70 0.06 2.24 7.50 -1.67 -2.13 115.11 121.69 1u6g h GLN 234 Ca 0.19 -0.36 0.03 0.00 0.50 0.00 0.00 58.65 59.01 1u6g h GLN 234 Cb 0.42 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.91 1u6g h GLN 234 CO -0.47 0.97 -0.31 0.35 -1.50 0.00 0.00 178.83 177.87 1u6g h PHE 235 N 0.58 -0.85 -0.40 2.96 3.57 0.18 0.34 116.94 123.31 1u6g h PHE 235 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1u6g h PHE 235 Cb 0.92 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1u6g h PHE 235 CO 0.05 -0.41 0.21 -0.07 -2.23 0.00 0.00 178.31 175.86 1u6g h LEU 236 N -0.50 0.51 -0.01 0.59 3.38 -0.92 -0.92 115.31 117.44 1u6g h LEU 236 Ca 0.05 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1u6g h LEU 236 Cb 0.56 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1u6g h LEU 236 CO -0.23 0.46 -0.32 0.00 0.09 0.00 0.00 178.44 178.44 1u6g h ALA 237 N 1.07 -0.47 -0.98 1.53 0.00 -1.06 0.74 119.26 120.08 1u6g h ALA 237 Ca 0.14 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.21 1u6g h ALA 237 Cb 0.07 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1u6g h ALA 237 CO -0.02 -0.84 0.61 0.22 0.00 0.00 0.00 179.25 179.23 1u6g h ASP 238 N -0.47 0.75 -0.20 0.00 3.58 -0.77 -0.12 116.42 119.20 1u6g h ASP 238 Ca 0.06 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1u6g h ASP 238 Cb 0.56 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1u6g h ASP 238 CO -0.27 0.31 0.01 0.74 -2.88 0.00 0.00 179.24 177.15 1u6g h THR 239 N 0.76 1.25 -0.02 2.25 2.02 0.75 0.30 112.91 120.22 1u6g h THR 239 Ca 0.54 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1u6g h THR 239 Cb 0.83 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 1u6g h THR 239 CO -0.31 0.26 -0.39 -0.33 0.37 0.00 0.00 175.52 175.11 1u6g h GLU 240 N 0.11 -0.52 -0.42 6.66 5.08 0.22 -1.59 114.58 124.13 1u6g h GLU 240 Ca 0.06 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1u6g h GLU 240 Cb 0.38 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1u6g h GLU 240 CO 0.01 -0.35 0.13 0.07 -1.00 0.00 0.00 179.01 177.87 1u6g h ARG 241 N -0.54 0.64 -0.23 2.33 0.11 -1.29 0.77 114.38 116.18 1u6g h ARG 241 Ca 0.05 -0.14 0.06 0.00 0.10 0.00 0.00 59.98 60.06 1u6g h ARG 241 Cb 0.63 -0.09 -0.07 0.00 1.11 0.00 0.00 29.97 31.54 1u6g h ARG 241 CO -0.31 0.64 -0.26 0.35 0.10 0.00 0.00 179.97 180.48 1u6g h PHE 242 N 0.53 -0.69 -0.01 4.08 3.04 0.04 0.51 116.94 124.43 1u6g h PHE 242 Ca 0.13 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.97 1u6g h PHE 242 Cb 0.26 0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 1u6g h PHE 242 CO 0.01 -0.33 -0.70 1.88 -2.02 0.00 0.00 178.31 177.14 1u6g h TYR 243 N -0.27 0.11 -0.91 0.41 0.99 -1.26 -1.50 116.97 114.54 1u6g h TYR 243 Ca 0.13 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.83 1u6g h TYR 243 Cb 0.48 -0.02 -0.05 0.00 1.00 0.00 0.00 36.73 38.14 1u6g h TYR 243 CO -0.40 0.75 0.60 1.15 -0.00 0.00 0.00 178.16 180.26 1u6g h THR 244 N 0.05 1.21 -0.06 -2.88 2.02 -0.10 -0.76 112.91 112.38 1u6g h THR 244 Ca -0.01 -0.41 -0.23 0.00 0.77 0.00 0.00 66.41 66.52 1u6g h THR 244 Cb 1.24 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1u6g h THR 244 CO 0.10 0.22 -0.88 0.03 0.37 0.00 0.00 175.52 175.35 1u6g h ARG 245 N 1.21 0.63 -0.25 6.66 3.08 -0.74 -2.69 114.38 122.27 1u6g h ARG 245 Ca 0.34 -0.59 -0.15 0.00 0.07 0.00 0.00 59.98 59.65 1u6g h ARG 245 Cb -0.11 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1u6g h ARG 245 CO -0.08 1.20 -0.45 1.49 -1.07 0.00 0.00 179.97 181.05 1u6g h GLU 246 N 0.39 0.65 0.07 0.04 4.81 -1.01 -2.95 114.58 116.58 1u6g h GLU 246 Ca -0.08 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1u6g h GLU 246 Cb 1.51 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.91 1u6g h GLU 246 CO 0.17 0.97 -0.03 0.66 -0.73 0.00 0.00 179.01 180.04 1u6g h SER 247 N 0.52 -0.08 0.10 1.04 4.64 -1.20 -1.69 113.55 116.89 1u6g h SER 247 Ca 0.03 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1u6g h SER 247 Cb 0.99 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1u6g h SER 247 CO 0.09 0.53 0.00 0.71 -0.87 0.00 0.00 176.83 177.29 1u6g h THR 248 N -0.74 0.00 0.03 2.95 1.35 -1.56 -0.89 112.91 114.05 1u6g h THR 248 Ca -0.01 -0.04 -0.34 0.00 -0.55 0.00 0.00 66.41 65.46 1u6g h THR 248 Cb 0.59 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 67.77 1u6g h THR 248 CO 0.02 0.00 -2.05 -0.62 -0.25 0.00 0.00 175.52 172.61 1u6g n GLU 249 N -2.67 0.68 -0.09 4.72 -0.58 -1.11 -3.54 120.64 118.04 1u6g n GLU 249 Ca -0.02 0.20 -0.14 0.00 -0.42 0.00 0.00 57.16 56.78 1u6g n GLU 249 Cb 0.08 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.24 1u6g n GLU 249 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1u6g h PHE 250 N 0.02 1.12 -0.42 -0.32 3.57 -0.74 -2.76 116.94 117.40 1u6g h PHE 250 Ca -0.42 -0.38 -0.06 0.00 3.53 0.00 0.00 57.97 60.64 1u6g h PHE 250 Cb 2.05 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 40.55 1u6g h PHE 250 CO 0.03 1.21 0.00 -0.07 -2.23 0.00 0.00 178.31 177.25 1u6g h LEU 251 N 0.71 0.65 -0.45 0.59 3.38 -1.36 0.79 115.31 119.62 1u6g h LEU 251 Ca 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1u6g h LEU 251 Cb 1.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1u6g h LEU 251 CO 0.11 0.72 0.00 -0.61 0.09 0.00 0.00 178.44 178.75 1u6g h GLN 252 N 0.64 0.00 -0.02 1.13 4.15 -1.59 -3.26 115.11 116.18 1u6g h GLN 252 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1u6g h GLN 252 Cb 0.40 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1u6g h GLN 252 CO 0.01 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.95 1u6g n GLN 253 N -2.50 0.15 -3.92 1.69 1.13 -0.61 -5.06 117.38 108.26 1u6g n GLN 253 Ca 0.03 -0.85 -0.09 0.00 -1.94 0.00 0.00 57.00 54.15 1u6g n GLN 253 Cb 0.36 -1.04 -0.09 0.00 0.11 0.00 0.00 30.24 29.58 1u6g n GLN 253 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1u6g s ASN 254 N -0.36 0.16 0.36 1.08 -0.87 0.27 -5.03 114.94 110.54 1u6g s ASN 254 Ca 0.03 -0.53 -0.28 0.00 -1.57 0.00 0.00 52.86 50.51 1u6g s ASN 254 Cb 0.02 0.24 -0.10 0.00 -0.02 0.00 0.00 41.25 41.39 1u6g s ASN 254 CO 0.02 -0.54 1.35 -2.84 -2.57 0.00 0.00 177.10 172.53 1u6g s PRO 255 N -2.73 4.22 0.45 -0.60 0.02 -1.26 -4.65 135.00 130.45 1u6g s PRO 255 Ca -0.04 2.29 0.17 0.00 0.02 0.00 0.00 61.00 63.44 1u6g s PRO 255 Cb -0.00 -2.99 1.11 0.00 0.02 0.00 0.00 34.50 32.64 1u6g s PRO 255 CO -0.05 -0.33 1.95 0.28 -0.33 0.00 0.00 177.00 178.52 1u6g h VAL 256 N 2.91 0.81 -0.51 3.83 2.07 -1.95 0.55 116.25 123.95 1u6g h VAL 256 Ca -0.50 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.00 1u6g h VAL 256 Cb 1.23 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1u6g h VAL 256 CO 0.65 0.06 0.35 0.71 0.02 0.00 0.00 177.57 179.35 1u6g h THR 257 N 0.33 0.91 0.09 2.57 1.35 -2.00 -0.96 112.91 115.20 1u6g h THR 257 Ca 0.32 -0.11 -0.25 0.00 -0.55 0.00 0.00 66.41 65.82 1u6g h THR 257 Cb 0.80 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1u6g h THR 257 CO -0.08 0.06 -1.15 -0.33 -0.25 0.00 0.00 175.52 173.76 1u6g h GLU 258 N 0.33 0.23 -0.19 4.72 4.39 -1.25 -3.01 114.58 119.79 1u6g h GLU 258 Ca 0.23 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 1u6g h GLU 258 Cb 0.49 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1u6g h GLU 258 CO -0.05 1.15 -0.21 -0.92 -1.16 0.00 0.00 179.01 177.82 1u6g h TYR 259 N 0.08 0.37 -0.43 4.33 3.20 -1.01 -2.33 116.97 121.17 1u6g h TYR 259 Ca -0.10 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 1u6g h TYR 259 Cb 1.87 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 40.03 1u6g h TYR 259 CO 0.05 0.53 0.05 0.52 -1.64 0.00 0.00 178.16 177.68 1u6g h MET 260 N 0.31 0.73 -0.10 1.82 2.86 -1.25 -0.20 114.93 119.11 1u6g h MET 260 Ca 0.05 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1u6g h MET 260 Cb 0.55 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1u6g h MET 260 CO 0.04 0.78 0.04 0.87 1.06 0.00 0.00 176.91 179.69 1u6g h LYS 261 N 0.59 0.09 0.25 1.72 1.79 -1.35 -2.77 116.57 116.88 1u6g h LYS 261 Ca 0.13 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1u6g h LYS 261 Cb 0.41 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1u6g h LYS 261 CO 0.01 0.06 -0.12 -0.22 -1.08 0.00 0.00 179.45 178.10 1u6g h LYS 262 N 0.10 -0.32 -1.00 3.15 3.64 -1.22 -2.46 116.57 118.45 1u6g h LYS 262 Ca 0.04 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.63 1u6g h LYS 262 Cb 0.01 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 31.80 1u6g h LYS 262 CO -0.03 -0.19 0.61 0.00 -2.27 0.00 0.00 179.45 177.57 1u6g h ALA 263 N 0.38 1.68 -0.12 5.00 0.00 -1.02 0.40 119.26 125.58 1u6g h ALA 263 Ca -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u6g h ALA 263 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1u6g h ALA 263 CO 0.06 -0.05 0.07 1.49 0.00 0.00 0.00 179.25 180.81 1u6g h GLU 264 N 0.76 0.17 0.69 0.00 4.81 -1.36 -1.74 114.58 117.92 1u6g h GLU 264 Ca 0.57 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.76 1u6g h GLU 264 Cb 0.89 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 1u6g h GLU 264 CO -0.37 0.17 -0.39 0.00 -0.73 0.00 0.00 179.01 177.69 1u6g h ALA 265 N 0.98 -1.03 -0.43 2.92 0.00 0.01 -2.31 119.26 119.41 1u6g h ALA 265 Ca 0.04 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1u6g h ALA 265 Cb 0.05 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.22 1u6g h ALA 265 CO -0.01 -1.09 -0.26 0.00 0.00 0.00 0.00 179.25 177.89 1u6g h ARG 266 N -1.01 -0.17 -0.86 0.00 2.47 -0.36 0.12 114.38 114.57 1u6g h ARG 266 Ca -0.09 0.01 0.21 0.00 -1.26 0.00 0.00 59.98 58.85 1u6g h ARG 266 Cb 0.80 0.04 -0.12 0.00 -1.65 0.00 0.00 29.97 29.04 1u6g h ARG 266 CO 0.11 -0.11 0.32 -0.07 0.56 0.00 0.00 179.97 180.77 1u6g h LEU 267 N -0.18 0.20 -0.21 3.04 3.38 -1.18 0.19 115.31 120.55 1u6g h LEU 267 Ca 0.20 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1u6g h LEU 267 Cb 0.49 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1u6g h LEU 267 CO -0.53 -0.03 -0.02 0.25 0.09 0.00 0.00 178.44 178.19 1u6g h LEU 268 N 0.34 0.39 -0.43 1.67 6.46 -0.42 -2.93 115.31 120.39 1u6g h LEU 268 Ca 0.52 -0.34 0.04 0.00 -0.12 0.00 0.00 57.88 57.99 1u6g h LEU 268 Cb 0.98 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 40.76 1u6g h LEU 268 CO -0.54 0.63 0.20 -0.33 -0.62 0.00 0.00 178.44 177.78 1u6g h GLU 269 N 0.14 0.39 0.00 1.25 5.08 0.13 -0.39 114.58 121.18 1u6g h GLU 269 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1u6g h GLU 269 Cb 0.45 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1u6g h GLU 269 CO 0.02 0.26 0.00 0.39 -1.00 0.00 0.00 179.01 178.67 1u6g n GLU 270 N -4.94 0.04 0.07 2.33 -0.58 0.45 -1.67 120.64 116.34 1u6g n GLU 270 Ca 0.03 0.41 -0.07 0.00 -0.42 0.00 0.00 57.16 57.11 1u6g n GLU 270 Cb 0.12 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.36 1u6g n GLU 270 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1u6g h GLN 271 N 0.00 -0.27 -0.02 3.49 4.20 -0.87 -3.22 115.11 118.42 1u6g h GLN 271 Ca 0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.73 1u6g h GLN 271 Cb 0.13 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1u6g h GLN 271 CO 0.00 -0.05 0.02 0.07 -0.67 0.00 0.00 178.83 178.20 1u6g h ARG 272 N -1.03 0.00 0.00 1.46 0.11 -1.44 -0.76 114.38 112.72 1u6g h ARG 272 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1u6g h ARG 272 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1u6g h ARG 272 CO 0.05 0.00 0.00 0.54 0.10 0.00 0.00 179.97 180.66 1u6g n ARG 273 N -4.48 0.36 0.00 0.08 1.74 -0.67 -0.06 116.66 113.62 1u6g n ARG 273 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1u6g n ARG 273 Cb 0.11 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1u6g n ARG 273 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u6g n VAL 274 N -0.61 0.00 -0.12 1.55 0.31 -0.36 -4.17 118.33 114.92 1u6g n VAL 274 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 1u6g n VAL 274 Cb 0.01 -0.22 0.09 0.00 -0.91 0.00 0.00 33.84 32.81 1u6g n VAL 274 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1u6g h GLN 275 N 0.00 0.86 0.00 5.55 4.20 -1.15 -2.32 115.11 122.25 1u6g h GLN 275 Ca 0.00 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 1u6g h GLN 275 Cb 0.41 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1u6g h GLN 275 CO 0.00 0.93 -0.27 0.28 -0.67 0.00 0.00 178.83 179.10 1u6g h VAL 276 N 0.77 1.44 0.00 -0.54 2.07 -0.72 -3.43 116.25 115.84 1u6g h VAL 276 Ca 0.12 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1u6g h VAL 276 Cb 0.63 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1u6g h VAL 276 CO 0.04 0.49 -0.01 0.00 0.02 0.00 0.00 177.57 178.11 1u6g n TYR 277 N -4.59 0.00 -4.29 1.57 0.18 -1.25 -4.95 117.16 103.84 1u6g n TYR 277 Ca -0.14 -0.37 -0.28 0.00 1.88 0.00 0.00 57.90 59.00 1u6g n TYR 277 Cb 0.48 -0.04 -0.06 0.00 -0.38 0.00 0.00 39.34 39.34 1u6g n TYR 277 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1u6g s LEU 278 N -0.77 2.73 0.33 -3.48 1.43 -0.87 -4.03 118.68 114.02 1u6g s LEU 278 Ca 0.01 -1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 51.58 1u6g s LEU 278 Cb 0.01 -1.11 -0.10 0.00 0.03 0.00 0.00 46.19 45.02 1u6g s LEU 278 CO 0.00 -0.79 0.86 -2.28 0.23 0.00 0.00 176.35 174.37 1u6g s HIS 279 N -2.74 3.53 0.51 0.29 5.65 -1.26 -4.73 115.29 116.55 1u6g s HIS 279 Ca 0.28 1.55 0.25 0.00 0.25 0.00 0.00 55.06 57.39 1u6g s HIS 279 Cb 0.02 -2.77 1.36 0.00 -1.18 0.00 0.00 32.58 30.01 1u6g s HIS 279 CO 0.16 0.14 1.96 1.05 -0.65 0.00 0.00 174.74 177.40 1u6g h GLU 280 N 2.76 0.07 -0.60 2.88 4.11 -1.97 -2.41 114.58 119.42 1u6g h GLU 280 Ca -0.48 -0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.06 1u6g h GLU 280 Cb 1.19 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.30 1u6g h GLU 280 CO 0.64 0.05 -0.29 1.03 0.07 0.00 0.00 179.01 180.51 1u6g h SER 281 N 0.07 -1.00 0.00 3.06 0.87 -1.98 -1.78 113.55 112.80 1u6g h SER 281 Ca 0.31 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 1u6g h SER 281 Cb 1.14 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1u6g h SER 281 CO -0.03 -0.28 0.00 0.35 -0.53 0.00 0.00 176.83 176.34 1u6g n THR 282 N -5.44 0.52 0.01 2.23 -2.24 -0.91 -4.41 114.28 104.04 1u6g n THR 282 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.82 1u6g n THR 282 Cb 0.35 -0.73 -0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1u6g n THR 282 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1u6g h GLN 283 N 0.22 -0.06 -4.89 -0.78 4.20 -1.50 -3.24 115.11 109.06 1u6g h GLN 283 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 1u6g h GLN 283 Cb 0.69 0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.35 1u6g h GLN 283 CO 0.00 -0.04 1.82 -0.40 -0.67 0.00 0.00 178.83 179.54 1u6g n ASP 284 N -2.68 5.03 0.00 1.46 5.68 -1.26 -2.62 116.55 122.16 1u6g n ASP 284 Ca -0.01 -2.97 0.00 0.00 -0.50 0.00 0.00 54.79 51.32 1u6g n ASP 284 Cb 0.02 -1.62 0.00 0.00 -1.14 0.00 0.00 41.12 38.38 1u6g n ASP 284 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1u6g n GLU 285 N 6.31 0.00 -0.12 0.11 4.07 -1.26 -4.76 120.64 124.99 1u6g n GLU 285 Ca 0.42 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.40 1u6g n GLU 285 Cb 0.43 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.80 1u6g n GLU 285 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1u6g h LEU 286 N 0.00 0.97 0.77 4.31 6.46 -1.55 0.15 115.31 126.43 1u6g h LEU 286 Ca 0.00 -0.43 -0.04 0.00 -0.12 0.00 0.00 57.88 57.30 1u6g h LEU 286 Cb 0.00 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 39.67 1u6g h LEU 286 CO 0.00 1.22 -0.37 0.00 -0.62 0.00 0.00 178.44 178.66 1u6g h ALA 287 N 0.83 -1.04 -0.23 1.25 0.00 -1.78 0.68 119.26 118.97 1u6g h ALA 287 Ca 0.07 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1u6g h ALA 287 Cb 0.93 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1u6g h ALA 287 CO 0.09 -1.03 -0.24 0.00 0.00 0.00 0.00 179.25 178.07 1u6g h ARG 288 N -1.14 -0.24 -0.56 0.00 2.47 -1.81 -1.09 114.38 112.01 1u6g h ARG 288 Ca -0.11 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.67 1u6g h ARG 288 Cb 0.81 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.14 1u6g h ARG 288 CO 0.17 -0.16 0.31 -0.22 0.56 0.00 0.00 179.97 180.64 1u6g h LYS 289 N -0.25 0.59 -0.68 0.04 1.63 -0.66 0.15 116.57 117.40 1u6g h LYS 289 Ca 0.13 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 1u6g h LYS 289 Cb 0.45 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1u6g h LYS 289 CO -0.38 0.39 0.34 0.00 -3.45 0.00 0.00 179.45 176.35 1u6g h GLU 291 N 0.94 0.77 -0.35 0.00 5.08 -0.85 0.66 114.58 120.83 1u6g h GLU 291 Ca 0.23 -0.33 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1u6g h GLU 291 Cb 0.10 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 1u6g h GLU 291 CO -0.03 0.95 -0.20 0.37 -1.00 0.00 0.00 179.01 179.10 1u6g h GLN 292 N 0.57 -0.15 0.00 2.33 4.15 -0.20 0.84 115.11 122.65 1u6g h GLN 292 Ca 0.08 0.01 -0.25 0.00 0.77 0.00 0.00 58.65 59.27 1u6g h GLN 292 Cb 0.72 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 1u6g h GLN 292 CO 0.05 -0.10 -1.33 -0.24 -1.93 0.00 0.00 178.83 175.28 1u6g h VAL 293 N -0.15 1.27 0.00 2.39 3.04 -0.98 -3.14 116.25 118.67 1u6g h VAL 293 Ca 0.18 -3.04 -0.21 0.00 -1.01 0.00 0.00 66.70 62.62 1u6g h VAL 293 Cb 0.43 2.62 -0.03 0.00 -2.01 0.00 0.00 31.29 32.30 1u6g h VAL 293 CO -0.44 0.72 -1.20 -0.07 -1.01 0.00 0.00 177.57 175.57 1u6g h LEU 294 N 0.00 0.00 0.00 3.16 3.38 0.66 -3.42 115.31 119.08 1u6g h LEU 294 Ca -0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1u6g h LEU 294 Cb 1.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.61 1u6g h LEU 294 CO 0.10 0.83 -1.41 -0.38 0.09 0.00 0.00 178.44 177.67 1u6g n ILE 295 N -3.15 0.41 1.38 1.22 5.41 0.29 -4.84 119.36 120.08 1u6g n ILE 295 Ca -0.06 -0.14 0.13 0.00 1.00 0.00 0.00 62.75 63.68 1u6g n ILE 295 Cb 0.92 -0.97 0.43 0.00 -0.71 0.00 0.00 39.64 39.31 1u6g n ILE 295 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1u6g n GLU 296 N -2.87 1.58 -0.07 0.38 0.28 -1.05 -3.42 120.64 115.47 1u6g n GLU 296 Ca -0.13 -1.00 0.12 0.00 -0.16 0.00 0.00 57.16 55.99 1u6g n GLU 296 Cb 0.63 -1.48 0.14 0.00 1.43 0.00 0.00 31.44 32.16 1u6g n GLU 296 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1u6g n LYS 297 N 0.16 2.32 -0.63 3.44 0.00 -1.24 -3.96 118.16 118.25 1u6g n LYS 297 Ca 0.17 -2.02 0.05 0.00 0.00 0.00 0.00 58.31 56.51 1u6g n LYS 297 Cb 0.39 -1.47 0.21 0.00 0.00 0.00 0.00 35.03 34.16 1u6g n LYS 297 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1u6g n HIS 298 N 1.36 0.06 0.12 5.64 8.25 -1.22 -4.76 115.22 124.66 1u6g n HIS 298 Ca 0.15 -1.51 -0.00 0.00 -0.26 0.00 0.00 57.72 56.10 1u6g n HIS 298 Cb 0.59 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 1u6g n HIS 298 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u6g h LEU 299 N 1.02 0.00 0.00 2.41 3.38 -1.69 -0.21 115.31 120.22 1u6g h LEU 299 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1u6g h LEU 299 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1u6g h LEU 299 CO 0.02 0.64 -0.36 1.21 0.09 0.00 0.00 178.44 180.03 1u6g n GLU 300 N -3.25 0.27 0.03 1.13 2.13 -1.26 0.52 120.64 120.21 1u6g n GLU 300 Ca 0.01 0.14 -0.19 0.00 0.66 0.00 0.00 57.16 57.78 1u6g n GLU 300 Cb 0.79 -1.73 -0.14 0.00 0.27 0.00 0.00 31.44 30.63 1u6g n GLU 300 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1u6g h ILE 301 N 0.00 0.84 -0.37 6.31 5.03 -1.91 -0.84 117.51 126.56 1u6g h ILE 301 Ca 0.00 -2.53 -0.13 0.00 -0.12 0.00 0.00 64.86 62.08 1u6g h ILE 301 Cb 0.74 2.61 -0.01 0.00 -3.03 0.00 0.00 36.82 37.13 1u6g h ILE 301 CO 0.00 0.82 -0.28 -0.26 -0.68 0.00 0.00 178.15 177.74 1u6g h PHE 302 N 0.07 1.01 0.73 1.37 0.05 -0.86 -2.41 116.94 116.91 1u6g h PHE 302 Ca -0.35 -0.28 -0.04 0.00 3.82 0.00 0.00 57.97 61.12 1u6g h PHE 302 Cb 2.04 -0.22 0.01 0.00 2.00 0.00 0.00 35.95 39.78 1u6g h PHE 302 CO 0.07 1.07 -0.35 0.45 -0.18 0.00 0.00 178.31 179.37 1u6g h HIS 303 N 0.65 -0.92 -0.88 -0.55 3.86 0.04 0.17 115.15 117.52 1u6g h HIS 303 Ca 0.07 -0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.47 1u6g h HIS 303 Cb 0.86 0.30 -0.06 0.00 1.06 0.00 0.00 27.41 29.57 1u6g h HIS 303 CO 0.06 -0.57 0.60 0.00 0.86 0.00 0.00 177.93 178.88 1u6g h THR 304 N -1.10 0.65 -0.00 2.45 1.03 -1.22 0.11 112.91 114.83 1u6g h THR 304 Ca -0.10 -0.10 -0.17 0.00 -0.01 0.00 0.00 66.41 66.03 1u6g h THR 304 Cb 0.76 0.33 -0.02 0.00 -1.07 0.00 0.00 68.15 68.14 1u6g h THR 304 CO 0.17 0.05 -0.78 -0.08 -0.01 0.00 0.00 175.52 174.87 1u6g h GLU 305 N 0.30 0.05 -0.98 0.00 4.57 -1.18 -3.02 114.58 114.31 1u6g h GLU 305 Ca 0.45 -0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.78 1u6g h GLU 305 Cb 1.29 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.80 1u6g h GLU 305 CO -0.13 0.81 0.61 0.35 -1.18 0.00 0.00 179.01 179.47 1u6g h PHE 306 N 0.03 0.89 0.00 0.92 3.57 0.21 0.15 116.94 122.70 1u6g h PHE 306 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1u6g h PHE 306 Cb 1.38 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1u6g h PHE 306 CO 0.01 0.21 0.00 1.04 -2.23 0.00 0.00 178.31 177.34 1u6g n GLN 307 N -4.67 0.00 -0.37 1.11 1.13 -1.14 -2.96 117.38 110.48 1u6g n GLN 307 Ca 0.22 0.45 0.28 0.00 -1.94 0.00 0.00 57.00 56.01 1u6g n GLN 307 Cb 0.61 -1.41 0.54 0.00 0.11 0.00 0.00 30.24 30.10 1u6g n GLN 307 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1u6g h ASN 308 N 0.00 0.40 0.00 1.08 2.35 -1.45 2.53 115.58 120.50 1u6g h ASN 308 Ca 0.00 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1u6g h ASN 308 Cb 0.00 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1u6g h ASN 308 CO 0.00 -0.07 0.00 0.18 -1.65 0.00 0.00 177.43 175.89 1u6g n LEU 309 N -4.78 0.05 0.00 1.61 4.77 0.47 -0.16 117.00 118.95 1u6g n LEU 309 Ca 0.31 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1u6g n LEU 309 Cb 1.09 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 1u6g n LEU 309 CO 0.19 0.01 -0.22 0.18 -1.33 0.00 0.00 177.39 176.22 1u6g n LEU 310 N -0.42 1.29 -0.02 2.23 4.77 0.81 -4.09 117.00 121.57 1u6g n LEU 310 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1u6g n LEU 310 Cb 0.01 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.69 1u6g n LEU 310 CO 0.00 0.21 1.18 0.44 -1.33 0.00 0.00 177.39 177.88 1u6g h ASP 311 N 0.00 0.20 -3.14 -1.43 3.32 0.39 -3.30 116.42 112.46 1u6g h ASP 311 Ca 0.00 0.01 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1u6g h ASP 311 Cb 0.44 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 39.61 1u6g h ASP 311 CO 0.00 0.11 -0.86 0.00 -1.72 0.00 0.00 179.24 176.77 1u6g s ALA 312 N -5.22 2.29 0.00 3.45 0.00 0.77 -5.02 121.76 118.03 1u6g s ALA 312 Ca -0.06 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1u6g s ALA 312 Cb 0.19 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1u6g s ALA 312 CO 0.74 -0.18 0.31 -0.25 0.00 0.00 0.00 175.76 176.38 1u6g n ASP 313 N 4.32 0.83 -4.51 0.00 10.43 -1.24 -4.35 116.55 122.02 1u6g n ASP 313 Ca -0.20 -1.04 -0.43 0.00 2.57 0.00 0.00 54.79 55.68 1u6g n ASP 313 Cb 0.51 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.30 1u6g n ASP 313 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1u6g n LYS 314 N 1.69 3.28 -0.37 -1.24 5.02 -1.26 -4.85 118.16 120.42 1u6g n LYS 314 Ca 0.00 -3.53 0.04 0.00 -2.02 0.00 0.00 58.31 52.80 1u6g n LYS 314 Cb 0.09 -3.29 0.19 0.00 -0.02 0.00 0.00 35.03 31.99 1u6g n LYS 314 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u6g n ASN 315 N 7.09 2.94 -0.04 4.39 3.02 -1.26 -3.94 115.26 127.46 1u6g n ASN 315 Ca 0.44 -2.34 0.00 0.00 -0.03 0.00 0.00 54.58 52.65 1u6g n ASN 315 Cb 0.44 -0.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.96 1u6g n ASN 315 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1u6g n GLU 316 N 0.36 0.67 -0.10 3.52 -0.58 -1.26 -3.76 120.64 119.48 1u6g n GLU 316 Ca 0.13 -0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.69 1u6g n GLU 316 Cb 0.61 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.87 1u6g n GLU 316 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1u6g h ASP 317 N 0.00 0.86 -0.98 1.62 3.45 -1.98 -2.27 116.42 117.13 1u6g h ASP 317 Ca -0.26 -0.47 0.15 0.00 0.43 0.00 0.00 57.03 56.88 1u6g h ASP 317 Cb 1.62 -0.24 -0.09 0.00 -0.56 0.00 0.00 39.33 40.06 1u6g h ASP 317 CO 0.02 1.16 0.61 -0.07 -1.57 0.00 0.00 179.24 179.39 1u6g h LEU 318 N 0.58 0.79 -0.54 1.55 3.38 -1.70 0.73 115.31 120.10 1u6g h LEU 318 Ca 0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1u6g h LEU 318 Cb 0.93 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1u6g h LEU 318 CO 0.08 0.37 0.32 1.23 0.09 0.00 0.00 178.44 180.53 1u6g h GLY 319 N 0.82 0.79 0.81 0.83 0.00 -1.51 -0.51 103.07 104.30 1u6g h GLY 319 Ca 0.51 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 1u6g h GLY 319 CO -0.28 0.32 -0.10 -0.09 0.00 0.00 0.00 176.54 176.39 1u6g h ARG 320 N 0.72 -0.26 -0.93 4.80 2.43 0.63 0.26 114.38 122.03 1u6g h ARG 320 Ca 0.19 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.54 1u6g h ARG 320 Cb 0.00 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 1u6g h ARG 320 CO -0.03 -0.03 0.59 1.98 -1.51 0.00 0.00 179.97 180.97 1u6g h MET 321 N -0.46 0.66 0.61 0.20 4.05 -0.06 0.23 114.93 120.16 1u6g h MET 321 Ca -0.03 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.32 1u6g h MET 321 Cb 0.35 -0.15 0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1u6g h MET 321 CO 0.05 0.44 -0.29 -0.92 0.23 0.00 0.00 176.91 176.41 1u6g h TYR 322 N 0.68 -0.76 -0.07 1.39 3.20 -0.58 0.16 116.97 121.00 1u6g h TYR 322 Ca 0.48 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.36 1u6g h TYR 322 Cb 0.82 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1u6g h TYR 322 CO -0.00 -0.45 0.08 -0.91 -1.64 0.00 0.00 178.16 175.24 1u6g h ASN 323 N -0.88 0.00 0.00 -2.11 4.21 0.70 0.64 115.58 118.14 1u6g h ASN 323 Ca -0.08 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 1u6g h ASN 323 Cb 0.65 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1u6g h ASN 323 CO 0.14 0.00 -0.07 -0.07 -1.29 0.00 0.00 177.43 176.13 1u6g h LEU 324 N 0.00 0.00 -1.68 1.61 3.38 -0.07 -3.32 115.31 115.22 1u6g h LEU 324 Ca 0.03 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 1u6g h LEU 324 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1u6g h LEU 324 CO -0.00 0.96 -0.16 0.58 0.09 0.00 0.00 178.44 179.91 1u6g h VAL 325 N -1.00 0.62 0.00 1.22 2.07 -0.48 -1.66 116.25 117.02 1u6g h VAL 325 Ca -0.02 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1u6g h VAL 325 Cb 0.89 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1u6g h VAL 325 CO -0.01 0.16 0.00 -0.24 0.02 0.00 0.00 177.57 177.50 1u6g n SER 326 N -3.62 0.00 -0.05 0.57 2.88 0.20 -0.34 113.62 113.26 1u6g n SER 326 Ca -0.01 -0.06 0.05 0.00 -1.33 0.00 0.00 58.87 57.52 1u6g n SER 326 Cb 0.29 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 1u6g n SER 326 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1u6g n ARG 327 N -0.78 3.26 -4.11 -1.46 1.74 -0.63 -4.97 116.66 109.72 1u6g n ARG 327 Ca 0.01 -0.13 -0.35 0.00 -0.77 0.00 0.00 57.85 56.61 1u6g n ARG 327 Cb 0.00 -1.02 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 1u6g n ARG 327 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1u6g s ILE 328 N -1.88 4.75 0.09 0.55 -1.09 0.54 -5.05 121.20 119.11 1u6g s ILE 328 Ca 0.05 -0.06 -0.31 0.00 -2.23 0.00 0.00 60.65 58.10 1u6g s ILE 328 Cb 0.08 -3.08 -0.10 0.00 -1.58 0.00 0.00 42.46 37.78 1u6g s ILE 328 CO 0.40 0.54 1.89 1.67 -1.23 0.00 0.00 174.94 178.21 1u6g n GLN 329 N 2.80 2.81 -0.61 2.79 7.27 -1.26 -1.11 117.38 130.08 1u6g n GLN 329 Ca -0.18 1.03 0.00 0.00 0.07 0.00 0.00 57.00 57.92 1u6g n GLN 329 Cb 0.53 -2.94 0.00 0.00 2.41 0.00 0.00 30.24 30.24 1u6g n GLN 329 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1u6g n ASP 330 N 6.35 -0.18 -0.05 1.69 8.00 -1.26 -4.80 116.55 126.30 1u6g n ASP 330 Ca 0.19 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.71 1u6g n ASP 330 Cb 0.38 -2.07 0.36 0.00 -0.02 0.00 0.00 41.12 39.77 1u6g n ASP 330 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1u6g h GLY 331 N 0.00 0.69 0.90 0.44 0.00 -1.36 -1.53 103.07 102.21 1u6g h GLY 331 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1u6g h GLY 331 CO 0.00 0.27 0.00 -0.10 0.00 0.00 0.00 176.54 176.71 1u6g n LEU 332 N -4.43 0.00 0.09 3.11 7.94 -1.26 -3.98 117.00 118.46 1u6g n LEU 332 Ca 0.04 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.90 1u6g n LEU 332 Cb 0.08 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.02 1u6g n LEU 332 CO 0.36 0.00 0.24 1.23 -1.11 0.00 0.00 177.39 178.11 1u6g h GLY 333 N 2.87 -0.25 1.29 -3.96 0.00 -1.65 -3.25 103.07 98.12 1u6g h GLY 333 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1u6g h GLY 333 CO 0.00 -0.09 0.35 0.83 0.00 0.00 0.00 176.54 177.63 1u6g h GLU 334 N -0.44 0.00 -0.18 4.80 4.39 -1.77 0.21 114.58 121.59 1u6g h GLU 334 Ca -0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1u6g h GLU 334 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1u6g h GLU 334 CO 0.04 0.00 -0.10 -0.07 -1.16 0.00 0.00 179.01 177.72 1u6g h LEU 335 N 0.00 0.40 -0.02 1.33 4.07 -1.77 -1.83 115.31 117.49 1u6g h LEU 335 Ca 0.01 -0.42 0.02 0.00 0.08 0.00 0.00 57.88 57.58 1u6g h LEU 335 Cb 0.71 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 1u6g h LEU 335 CO -0.00 0.73 -0.11 0.11 -1.08 0.00 0.00 178.44 178.09 1u6g h LYS 336 N 0.07 -0.17 -0.09 1.13 1.57 -0.62 -1.31 116.57 117.16 1u6g h LYS 336 Ca 0.04 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1u6g h LYS 336 Cb 0.58 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1u6g h LYS 336 CO 0.03 -0.11 -0.47 0.87 -0.57 0.00 0.00 179.45 179.20 1u6g h LYS 337 N -0.17 -0.54 -0.90 3.15 1.57 -1.43 -0.95 116.57 117.30 1u6g h LYS 337 Ca 0.05 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.04 1u6g h LYS 337 Cb 0.24 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1u6g h LYS 337 CO -0.13 -0.36 0.58 -0.07 -0.57 0.00 0.00 179.45 178.90 1u6g h LEU 338 N -0.56 0.55 0.20 2.94 4.07 -1.13 -2.10 115.31 119.28 1u6g h LEU 338 Ca 0.05 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1u6g h LEU 338 Cb 0.67 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1u6g h LEU 338 CO -0.39 0.25 -0.10 0.25 -1.08 0.00 0.00 178.44 177.37 1u6g h LEU 339 N 0.56 -0.23 -0.31 1.67 5.85 -0.02 -1.17 115.31 121.66 1u6g h LEU 339 Ca 0.47 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1u6g h LEU 339 Cb 0.94 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 1u6g h LEU 339 CO -0.21 0.16 -0.36 -0.08 -0.34 0.00 0.00 178.44 177.61 1u6g h GLU 340 N -0.65 -0.32 -0.75 1.25 4.81 -0.83 0.11 114.58 118.20 1u6g h GLU 340 Ca -0.03 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1u6g h GLU 340 Cb 0.47 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 1u6g h GLU 340 CO 0.05 -0.21 0.36 1.15 -0.73 0.00 0.00 179.01 179.62 1u6g h THR 341 N -0.33 0.78 0.20 0.32 2.02 -1.39 -1.76 112.91 112.74 1u6g h THR 341 Ca 0.14 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1u6g h THR 341 Cb 0.56 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1u6g h THR 341 CO -0.49 0.10 -0.09 -0.74 0.37 0.00 0.00 175.52 174.67 1u6g h HIS 342 N 0.57 -0.25 -0.65 3.16 -0.00 0.36 -1.59 115.15 116.75 1u6g h HIS 342 Ca 0.39 -0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.94 1u6g h HIS 342 Cb 0.48 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.94 1u6g h HIS 342 CO -0.12 -0.15 0.52 0.97 -0.00 0.00 0.00 177.93 179.15 1u6g h ILE 343 N -0.28 0.54 0.46 6.26 6.09 -0.86 0.39 117.51 130.12 1u6g h ILE 343 Ca -0.03 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.44 1u6g h ILE 343 Cb 0.20 0.63 0.00 0.00 0.47 0.00 0.00 36.82 38.12 1u6g h ILE 343 CO 0.04 0.00 -0.22 -0.74 -3.07 0.00 0.00 178.15 174.16 1u6g h HIS 344 N 0.00 -0.58 -0.84 2.19 2.76 -1.20 -1.36 115.15 116.12 1u6g h HIS 344 Ca 0.31 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.56 1u6g h HIS 344 Cb 1.34 0.19 -0.07 0.00 1.55 0.00 0.00 27.41 30.42 1u6g h HIS 344 CO 0.00 -0.36 0.49 -0.91 -1.30 0.00 0.00 177.93 175.85 1u6g h ASN 345 N -0.88 0.70 -0.41 3.26 2.35 -0.30 0.26 115.58 120.56 1u6g h ASN 345 Ca -0.06 0.05 0.12 0.00 -0.55 0.00 0.00 56.30 55.85 1u6g h ASN 345 Cb 0.48 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1u6g h ASN 345 CO 0.10 0.39 0.32 -0.61 -1.65 0.00 0.00 177.43 175.99 1u6g h GLN 346 N 0.81 0.00 0.17 0.81 5.75 -0.23 -0.77 115.11 121.65 1u6g h GLN 346 Ca 0.41 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.62 1u6g h GLN 346 Cb 0.38 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.94 1u6g h GLN 346 CO -0.25 0.00 -1.36 0.78 -2.65 0.00 0.00 178.83 175.35 1u6g h GLY 347 N 0.00 0.42 1.32 2.39 0.00 0.67 -3.15 103.07 104.71 1u6g h GLY 347 Ca 0.20 -1.08 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 1u6g h GLY 347 CO -0.00 0.95 0.30 1.41 0.00 0.00 0.00 176.54 179.20 1u6g h LEU 348 N -0.11 0.80 0.58 3.11 3.38 -0.30 -2.88 115.31 119.88 1u6g h LEU 348 Ca -0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1u6g h LEU 348 Cb 1.91 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.46 1u6g h LEU 348 CO 0.17 0.68 -0.28 0.00 0.09 0.00 0.00 178.44 179.09 1u6g h ALA 349 N 1.45 -0.78 -0.83 1.53 0.00 -1.31 -0.26 119.26 119.06 1u6g h ALA 349 Ca 0.22 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1u6g h ALA 349 Cb 0.09 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 1u6g h ALA 349 CO -0.03 -0.88 -0.36 0.00 0.00 0.00 0.00 179.25 177.98 1u6g h ALA 350 N -0.56 0.10 -0.63 0.00 0.00 -1.48 0.13 119.26 116.82 1u6g h ALA 350 Ca -0.08 0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1u6g h ALA 350 Cb 0.64 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1u6g h ALA 350 CO 0.13 -0.63 0.17 0.82 0.00 0.00 0.00 179.25 179.74 1u6g h ILE 351 N -0.06 1.25 -0.11 0.00 2.04 -1.46 -3.06 117.51 116.12 1u6g h ILE 351 Ca 0.31 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1u6g h ILE 351 Cb 0.58 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1u6g h ILE 351 CO -0.86 0.34 -0.22 -0.33 0.00 0.00 0.00 178.15 177.08 1u6g h GLU 352 N 0.93 -0.27 0.00 2.37 4.39 0.11 -0.45 114.58 121.65 1u6g h GLU 352 Ca 0.20 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1u6g h GLU 352 Cb 0.34 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1u6g h GLU 352 CO -0.00 -0.18 0.00 1.63 -1.16 0.00 0.00 179.01 179.30 1u6g n LYS 353 N -5.35 0.03 -0.02 2.33 5.02 -0.29 -0.77 118.16 119.12 1u6g n LYS 353 Ca -0.03 0.18 0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1u6g n LYS 353 Cb 0.26 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.01 1u6g n LYS 353 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u6g n GLY 355 N 1.30 1.99 0.09 0.00 0.00 0.05 -2.89 105.19 105.74 1u6g n GLY 355 Ca 0.16 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1u6g n GLY 355 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u6g h GLU 356 N 0.00 0.18 -0.72 1.61 4.39 -1.94 -3.31 114.58 114.78 1u6g h GLU 356 Ca 0.00 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.71 1u6g h GLU 356 Cb 0.00 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.55 1u6g h GLU 356 CO 0.00 0.48 -0.40 0.00 -1.16 0.00 0.00 179.01 177.94 1u6g n ALA 357 N -2.32 -0.38 -0.40 3.43 0.00 -1.18 0.16 120.51 119.81 1u6g n ALA 357 Ca -0.06 0.64 0.32 0.00 0.00 0.00 0.00 53.44 54.34 1u6g n ALA 357 Cb 0.23 -0.15 0.61 0.00 0.00 0.00 0.00 19.45 20.14 1u6g n ALA 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u6g h ALA 358 N 0.50 2.61 0.00 0.00 0.00 -1.62 0.52 119.26 121.27 1u6g h ALA 358 Ca 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1u6g h ALA 358 Cb 0.33 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1u6g h ALA 358 CO -0.69 -1.15 -0.08 1.25 0.00 0.00 0.00 179.25 178.59 1u6g h LEU 359 N 0.18 0.00 -2.03 0.00 5.85 0.13 -3.17 115.31 116.27 1u6g h LEU 359 Ca 0.73 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.45 1u6g h LEU 359 Cb 2.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.25 1u6g h LEU 359 CO -0.35 0.08 -0.21 -3.20 -0.34 0.00 0.00 178.44 174.42 1u6g n ASN 360 N -3.47 0.68 -3.98 1.25 5.15 0.15 -4.94 115.26 110.10 1u6g n ASN 360 Ca -0.02 -1.92 -0.31 0.00 -0.60 0.00 0.00 54.58 51.74 1u6g n ASN 360 Cb 0.21 -0.16 -0.14 0.00 -0.53 0.00 0.00 39.78 39.16 1u6g n ASN 360 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1u6g s ASP 361 N -1.06 4.52 0.21 1.20 -1.08 0.77 -4.98 116.67 116.25 1u6g s ASP 361 Ca 0.06 -2.74 -0.09 0.00 -0.52 0.00 0.00 52.55 49.26 1u6g s ASP 361 Cb 0.05 -1.65 0.24 0.00 -1.46 0.00 0.00 42.92 40.09 1u6g s ASP 361 CO 0.01 -0.29 1.81 -0.65 0.52 0.00 0.00 175.17 176.57 1u6g h PRO 362 N 6.89 0.69 -0.40 4.34 0.11 -1.87 -1.62 132.00 140.14 1u6g h PRO 362 Ca -0.07 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.05 1u6g h PRO 362 Cb 0.94 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.85 1u6g h PRO 362 CO 0.64 0.46 0.14 -0.22 -0.21 0.00 0.00 178.00 178.81 1u6g h LYS 363 N 0.71 0.29 0.69 1.05 3.64 -1.92 0.15 116.57 121.18 1u6g h LYS 363 Ca 0.30 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1u6g h LYS 363 Cb 0.17 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1u6g h LYS 363 CO -0.17 0.19 -0.48 1.98 -2.27 0.00 0.00 179.45 178.70 1u6g h MET 364 N 0.30 -1.08 0.04 1.90 4.05 -1.85 0.88 114.93 119.17 1u6g h MET 364 Ca 0.18 0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1u6g h MET 364 Cb 0.16 0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.17 1u6g h MET 364 CO -0.19 -0.72 -0.35 -0.92 0.23 0.00 0.00 176.91 174.97 1u6g h TYR 365 N -1.12 -1.01 -0.52 1.39 5.03 -0.99 0.16 116.97 119.92 1u6g h TYR 365 Ca -0.09 0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.28 1u6g h TYR 365 Cb 0.92 0.44 -0.03 0.00 1.55 0.00 0.00 36.73 39.61 1u6g h TYR 365 CO -0.15 -0.38 0.34 0.28 -1.32 0.00 0.00 178.16 176.93 1u6g h VAL 366 N -0.46 1.06 -0.03 1.81 2.07 -0.73 -1.13 116.25 118.83 1u6g h VAL 366 Ca 0.00 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1u6g h VAL 366 Cb 0.48 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1u6g h VAL 366 CO -0.21 0.11 -0.56 1.56 0.02 0.00 0.00 177.57 178.49 1u6g h GLN 367 N 0.58 0.09 -0.10 1.57 1.08 -0.37 -0.36 115.11 117.61 1u6g h GLN 367 Ca 0.21 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1u6g h GLN 367 Cb 0.10 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1u6g h GLN 367 CO -0.05 0.63 -0.00 1.15 -0.95 0.00 0.00 178.83 179.60 1u6g h THR 368 N 0.07 1.26 -0.12 -0.54 2.02 0.57 0.15 112.91 116.32 1u6g h THR 368 Ca -0.00 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1u6g h THR 368 Cb 1.01 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1u6g h THR 368 CO 0.08 0.24 0.07 0.58 0.37 0.00 0.00 175.52 176.85 1u6g h VAL 369 N -0.11 1.09 -0.53 3.16 2.07 -1.39 -1.52 116.25 119.01 1u6g h VAL 369 Ca 0.03 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1u6g h VAL 369 Cb 0.37 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1u6g h VAL 369 CO 0.01 0.09 0.11 -0.07 0.02 0.00 0.00 177.57 177.73 1u6g h LEU 370 N 0.10 0.01 -0.01 2.57 3.38 -0.95 -1.17 115.31 119.25 1u6g h LEU 370 Ca 0.04 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1u6g h LEU 370 Cb 0.08 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1u6g h LEU 370 CO -0.01 0.03 -0.05 0.44 0.09 0.00 0.00 178.44 178.94 1u6g h ASP 371 N 0.25 -0.16 0.03 -0.43 3.32 -0.30 0.58 116.42 119.72 1u6g h ASP 371 Ca 0.27 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.36 1u6g h ASP 371 Cb 0.37 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 1u6g h ASP 371 CO -0.35 -0.08 -0.37 0.58 -1.72 0.00 0.00 179.24 177.30 1u6g h VAL 372 N -0.09 0.00 -0.19 -1.35 2.07 -0.47 -2.08 116.25 114.13 1u6g h VAL 372 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1u6g h VAL 372 Cb 0.13 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.84 1u6g h VAL 372 CO -0.07 0.00 -0.16 -0.74 0.02 0.00 0.00 177.57 176.62 1u6g h HIS 373 N -0.48 -0.41 0.00 1.57 -0.00 -1.17 -1.94 115.15 112.73 1u6g h HIS 373 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1u6g h HIS 373 Cb 0.50 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1u6g h HIS 373 CO -0.45 -0.23 0.20 0.87 -0.00 0.00 0.00 177.93 178.32 1u6g h LYS 374 N -0.17 0.00 0.00 5.26 6.56 -0.53 -0.07 116.57 127.62 1u6g h LYS 374 Ca 0.12 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 1u6g h LYS 374 Cb 0.35 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1u6g h LYS 374 CO -0.30 0.00 -0.10 -0.22 -2.06 0.00 0.00 179.45 176.77 1u6g h LYS 375 N 0.00 0.00 0.00 3.15 3.64 -0.66 -3.32 116.57 119.38 1u6g h LYS 375 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u6g h LYS 375 Cb 0.41 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1u6g h LYS 375 CO 0.00 0.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.01 1u6g n TYR 376 N -4.73 0.44 0.04 1.91 4.02 -0.98 -2.55 117.16 115.32 1u6g n TYR 376 Ca -0.03 0.16 -0.03 0.00 -0.01 0.00 0.00 57.90 57.99 1u6g n TYR 376 Cb 0.12 -0.76 -0.01 0.00 -0.02 0.00 0.00 39.34 38.67 1u6g n TYR 376 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 1u6g h ASN 377 N 0.00 -0.14 0.00 7.72 -0.00 -1.17 -0.07 115.58 121.92 1u6g h ASN 377 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1u6g h ASN 377 Cb 0.39 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.75 1u6g h ASN 377 CO 0.00 0.16 0.09 0.00 -0.00 0.00 0.00 177.43 177.68 1u6g n ALA 378 N -2.49 0.87 0.03 1.57 0.00 -1.23 0.93 120.51 120.19 1u6g n ALA 378 Ca -0.02 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.27 1u6g n ALA 378 Cb 0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 1u6g n ALA 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u6g h LEU 379 N 0.00 0.47 -0.76 0.00 7.12 -1.48 -3.09 115.31 117.58 1u6g h LEU 379 Ca 0.00 -0.89 -0.12 0.00 0.13 0.00 0.00 57.88 57.00 1u6g h LEU 379 Cb 0.17 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 1u6g h LEU 379 CO 0.00 1.78 -0.56 0.58 -0.13 0.00 0.00 178.44 180.11 1u6g h VAL 380 N 0.08 1.26 0.54 1.05 2.07 0.26 -2.69 116.25 118.82 1u6g h VAL 380 Ca -0.38 -2.00 -0.03 0.00 0.82 0.00 0.00 66.70 65.12 1u6g h VAL 380 Cb 2.06 2.12 0.01 0.00 -1.52 0.00 0.00 31.29 33.95 1u6g h VAL 380 CO 0.13 0.54 -0.26 0.24 0.02 0.00 0.00 177.57 178.24 1u6g h MET 381 N 0.00 -0.70 0.00 1.57 2.86 -0.89 -1.54 114.93 116.23 1u6g h MET 381 Ca -0.01 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1u6g h MET 381 Cb 1.07 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1u6g h MET 381 CO 0.07 -0.43 0.00 -1.13 1.06 0.00 0.00 176.91 176.48 1u6g n SER 382 N -5.27 0.00 -0.35 1.22 3.41 -1.17 -1.85 113.62 109.62 1u6g n SER 382 Ca -0.10 0.20 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1u6g n SER 382 Cb 0.30 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.23 1u6g n SER 382 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6g n ALA 383 N -0.71 -0.33 -0.96 7.33 0.00 -1.02 -0.85 120.51 123.98 1u6g n ALA 383 Ca 0.00 0.81 -0.23 0.00 0.00 0.00 0.00 53.44 54.02 1u6g n ALA 383 Cb 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 19.45 19.31 1u6g n ALA 383 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1u6g n PHE 384 N -5.19 2.59 -3.58 0.00 3.72 -1.14 -4.24 117.46 109.62 1u6g n PHE 384 Ca 0.05 -1.97 -0.24 0.00 -0.05 0.00 0.00 57.45 55.24 1u6g n PHE 384 Cb 0.29 -0.98 -0.05 0.00 -0.94 0.00 0.00 39.48 37.80 1u6g n PHE 384 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1u6g n ASN 385 N -0.74 -1.41 -1.94 4.37 4.05 -0.03 -0.24 115.26 119.32 1u6g n ASN 385 Ca 0.50 -0.52 -0.19 0.00 0.45 0.00 0.00 54.58 54.83 1u6g n ASN 385 Cb 1.19 -1.28 -0.05 0.00 1.23 0.00 0.00 39.78 40.88 1u6g n ASN 385 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1u6g n ASN 386 N -1.92 -5.13 -4.68 1.20 5.15 -0.59 -4.87 115.26 104.41 1u6g n ASN 386 Ca 0.07 0.27 -0.46 0.00 -0.60 0.00 0.00 54.58 53.85 1u6g n ASN 386 Cb 0.44 -4.44 -0.04 0.00 -0.53 0.00 0.00 39.78 35.21 1u6g n ASN 386 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1u6g n ASP 387 N -1.51 3.52 -0.22 1.20 -0.08 0.67 -4.83 116.55 115.30 1u6g n ASP 387 Ca -0.20 1.00 0.02 0.00 -1.51 0.00 0.00 54.79 54.10 1u6g n ASP 387 Cb 0.64 -1.43 0.13 0.00 2.34 0.00 0.00 41.12 42.80 1u6g n ASP 387 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u6g h ALA 388 N 8.33 0.82 -0.92 -1.67 0.00 -1.89 0.16 119.26 124.08 1u6g h ALA 388 Ca -0.47 0.13 0.22 0.00 0.00 0.00 0.00 54.91 54.79 1u6g h ALA 388 Cb 1.26 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 1u6g h ALA 388 CO 0.93 -0.29 0.61 0.78 0.00 0.00 0.00 179.25 181.29 1u6g h GLY 389 N 0.30 0.85 1.15 0.00 0.00 -1.98 -0.35 103.07 103.05 1u6g h GLY 389 Ca 0.35 -0.18 -0.33 0.00 0.00 0.00 0.00 47.33 47.17 1u6g h GLY 389 CO -0.42 -0.02 -1.50 0.74 0.00 0.00 0.00 176.54 175.34 1u6g h PHE 390 N 0.38 0.92 -0.95 5.60 -1.00 -1.11 -3.09 116.94 117.68 1u6g h PHE 390 Ca 0.48 -0.67 0.20 0.00 2.81 0.00 0.00 57.97 60.79 1u6g h PHE 390 Cb 1.26 -0.04 -0.08 0.00 3.61 0.00 0.00 35.95 40.70 1u6g h PHE 390 CO -0.00 1.58 0.61 0.28 -1.61 0.00 0.00 178.31 179.17 1u6g h VAL 391 N 0.11 0.69 -0.29 -0.55 2.07 0.12 0.12 116.25 118.52 1u6g h VAL 391 Ca -0.27 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1u6g h VAL 391 Cb 2.13 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1u6g h VAL 391 CO 0.25 0.10 0.19 0.00 0.02 0.00 0.00 177.57 178.13 1u6g h ALA 392 N 1.62 0.37 0.20 1.67 0.00 -1.08 -0.60 119.26 121.44 1u6g h ALA 392 Ca 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1u6g h ALA 392 Cb 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1u6g h ALA 392 CO -0.26 -0.16 -0.27 0.00 0.00 0.00 0.00 179.25 178.57 1u6g h ALA 393 N 1.10 -0.52 -0.08 0.00 0.00 -0.70 0.29 119.26 119.35 1u6g h ALA 393 Ca 0.11 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1u6g h ALA 393 Cb -0.04 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1u6g h ALA 393 CO -0.02 -0.83 -0.42 1.25 0.00 0.00 0.00 179.25 179.23 1u6g h LEU 394 N -0.53 -1.29 0.09 0.00 5.85 -1.23 0.20 115.31 118.40 1u6g h LEU 394 Ca 0.01 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1u6g h LEU 394 Cb 0.52 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1u6g h LEU 394 CO -0.10 -0.44 -0.42 0.44 -0.34 0.00 0.00 178.44 177.58 1u6g h ASP 395 N -0.52 -1.26 -0.80 1.25 3.45 -0.89 0.23 116.42 117.87 1u6g h ASP 395 Ca 0.06 0.13 0.19 0.00 0.43 0.00 0.00 57.03 57.85 1u6g h ASP 395 Cb 0.63 0.47 -0.14 0.00 -0.56 0.00 0.00 39.33 39.73 1u6g h ASP 395 CO -0.37 -0.44 0.07 0.11 -1.57 0.00 0.00 179.24 177.04 1u6g h LYS 396 N -0.60 0.13 -0.26 3.56 1.57 -0.65 0.47 116.57 120.79 1u6g h LYS 396 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1u6g h LYS 396 Cb 0.60 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1u6g h LYS 396 CO -0.23 0.09 0.10 0.00 -0.57 0.00 0.00 179.45 178.83 1u6g h ALA 397 N 1.74 0.34 -0.52 3.86 0.00 -0.23 0.07 119.26 124.52 1u6g h ALA 397 Ca 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1u6g h ALA 397 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1u6g h ALA 397 CO -0.67 -0.05 0.19 0.00 0.00 0.00 0.00 179.25 178.71 1u6g h GLY 399 N 0.70 1.03 0.90 0.00 0.00 0.05 -1.26 103.07 104.48 1u6g h GLY 399 Ca 0.17 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1u6g h GLY 399 CO -0.01 0.31 -0.30 3.21 0.00 0.00 0.00 176.54 179.75 1u6g h ARG 400 N 0.91 -0.82 -0.01 4.80 3.08 -0.43 -3.25 114.38 118.65 1u6g h ARG 400 Ca 0.28 0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.21 1u6g h ARG 400 Cb -0.02 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1u6g h ARG 400 CO -0.09 -0.51 -0.78 0.27 -1.07 0.00 0.00 179.97 177.78 1u6g h PHE 401 N -0.96 0.20 -0.37 3.04 -5.15 -1.15 -2.66 116.94 109.90 1u6g h PHE 401 Ca -0.09 -0.10 0.00 0.00 -0.20 0.00 0.00 57.97 57.59 1u6g h PHE 401 Cb 0.68 -0.03 -0.02 0.00 0.22 0.00 0.00 35.95 36.81 1u6g h PHE 401 CO -0.01 0.86 0.24 0.82 -2.00 0.00 0.00 178.31 178.22 1u6g h ILE 402 N 0.08 1.09 0.00 0.88 2.04 -1.34 -3.09 117.51 117.18 1u6g h ILE 402 Ca -0.02 -0.17 -0.29 0.00 1.00 0.00 0.00 64.86 65.37 1u6g h ILE 402 Cb 1.37 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1u6g h ILE 402 CO 0.11 0.09 -1.89 0.59 0.00 0.00 0.00 178.15 177.05 1u6g n ASN 403 N -4.48 0.58 -3.67 1.72 3.02 -1.23 -4.79 115.26 106.42 1u6g n ASN 403 Ca 0.02 0.27 -0.30 0.00 -0.03 0.00 0.00 54.58 54.55 1u6g n ASN 403 Cb 0.06 0.34 -0.15 0.00 -0.61 0.00 0.00 39.78 39.42 1u6g n ASN 403 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1u6g s ASN 404 N -5.83 3.87 0.04 6.41 0.01 -1.00 -4.60 114.94 113.84 1u6g s ASN 404 Ca -0.06 -1.57 0.00 0.00 -0.71 0.00 0.00 52.86 50.52 1u6g s ASN 404 Cb 0.08 -0.71 -0.00 0.00 0.41 0.00 0.00 41.25 41.02 1u6g s ASN 404 CO 0.83 -0.42 0.05 -0.46 -1.51 0.00 0.00 177.10 175.59 1u6g n ASN 405 N 4.92 -0.14 0.21 -1.22 2.04 -1.24 -4.52 115.26 115.31 1u6g n ASN 405 Ca -0.03 -1.27 0.14 0.00 -0.44 0.00 0.00 54.58 52.99 1u6g n ASN 405 Cb 0.42 0.28 0.77 0.00 -2.53 0.00 0.00 39.78 38.71 1u6g n ASN 405 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1u6g h ALA 406 N 1.33 1.92 0.00 -2.53 0.00 -1.90 0.32 119.26 118.40 1u6g h ALA 406 Ca -0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1u6g h ALA 406 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1u6g h ALA 406 CO 0.05 -0.20 -0.24 0.28 0.00 0.00 0.00 179.25 179.14 1u6g h VAL 407 N 0.00 1.57 -0.95 0.00 2.07 -1.93 -3.06 116.25 113.94 1u6g h VAL 407 Ca 0.07 -2.27 0.05 0.00 0.82 0.00 0.00 66.70 65.36 1u6g h VAL 407 Cb 0.32 3.06 -0.06 0.00 -1.52 0.00 0.00 31.29 33.09 1u6g h VAL 407 CO -0.00 0.53 0.62 0.71 0.02 0.00 0.00 177.57 179.45 1u6g h THR 408 N -1.00 1.13 0.21 2.57 1.35 -1.72 -1.81 112.91 113.64 1u6g h THR 408 Ca -0.07 -0.40 0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1u6g h THR 408 Cb 1.03 -0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 1u6g h THR 408 CO -0.04 0.21 -0.28 0.50 -0.25 0.00 0.00 175.52 175.66 1u6g h LYS 409 N 1.16 -0.53 0.00 4.72 3.64 -0.46 -1.41 116.57 123.69 1u6g h LYS 409 Ca 0.39 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.78 1u6g h LYS 409 Cb 0.07 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1u6g h LYS 409 CO -0.13 -0.35 -0.12 0.00 -2.27 0.00 0.00 179.45 176.58 1u6g h MET 410 N -0.55 0.00 -0.02 1.90 -0.00 -1.37 -0.99 114.93 113.90 1u6g h MET 410 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1u6g h MET 410 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 1u6g h MET 410 CO -0.11 0.12 0.00 0.00 -0.00 0.00 0.00 176.91 176.92 1u6g n ALA 411 N -2.17 2.61 -1.36 -3.00 0.00 -0.71 -4.91 120.51 110.97 1u6g n ALA 411 Ca 0.00 -0.36 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 1u6g n ALA 411 Cb 0.35 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 1u6g n ALA 411 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1u6g n GLN 412 N -0.21 -1.49 -3.64 0.00 6.02 -0.38 -4.93 117.38 112.75 1u6g n GLN 412 Ca 0.20 0.88 -0.03 0.00 -0.01 0.00 0.00 57.00 58.04 1u6g n GLN 412 Cb 0.27 -5.15 -0.05 0.00 1.02 0.00 0.00 30.24 26.32 1u6g n GLN 412 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1u6g s SER 413 N -2.27 -1.06 0.59 1.08 0.15 -0.93 -5.02 113.70 106.24 1u6g s SER 413 Ca 0.00 1.52 0.29 0.00 0.70 0.00 0.00 55.95 58.46 1u6g s SER 413 Cb 0.00 1.97 1.47 0.00 -1.71 0.00 0.00 66.02 67.75 1u6g s SER 413 CO 0.00 -0.22 1.89 0.28 1.20 0.00 0.00 173.24 176.39 1u6g h SER 414 N 7.63 0.00 0.01 5.45 0.02 -1.81 -0.77 113.55 124.08 1u6g h SER 414 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1u6g h SER 414 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1u6g h SER 414 CO 0.12 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.61 1u6g n SER 415 N -3.75 0.00 0.08 3.07 7.64 -1.26 -1.82 113.62 117.59 1u6g n SER 415 Ca 0.09 0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.91 1u6g n SER 415 Cb 0.70 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 1u6g n SER 415 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1u6g h LYS 416 N 0.00 0.07 0.56 1.43 1.63 -1.50 -3.18 116.57 115.58 1u6g h LYS 416 Ca 0.00 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.68 1u6g h LYS 416 Cb 0.01 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1u6g h LYS 416 CO 0.00 0.97 -0.27 1.03 -3.45 0.00 0.00 179.45 177.72 1u6g h SER 417 N 0.03 -0.64 -0.99 4.20 0.87 -1.60 -1.87 113.55 113.55 1u6g h SER 417 Ca -0.03 -0.04 0.16 0.00 -1.23 0.00 0.00 61.79 60.66 1u6g h SER 417 Cb 1.65 0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 63.69 1u6g h SER 417 CO 0.13 -0.34 0.62 1.55 -0.53 0.00 0.00 176.83 178.26 1u6g h PRO 418 N -0.93 0.79 -0.45 2.24 0.13 -1.74 -0.73 132.00 131.31 1u6g h PRO 418 Ca -0.08 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.97 1u6g h PRO 418 Cb 0.64 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1u6g h PRO 418 CO 0.13 0.52 0.14 1.49 -0.23 0.00 0.00 178.00 180.05 1u6g h GLU 419 N 0.82 0.70 0.01 0.86 4.81 -1.50 -1.13 114.58 119.15 1u6g h GLU 419 Ca 0.53 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1u6g h GLU 419 Cb 0.76 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1u6g h GLU 419 CO -0.31 0.68 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.54 1u6g h LEU 420 N 0.59 -0.10 -0.73 1.64 3.38 -0.36 0.26 115.31 120.00 1u6g h LEU 420 Ca 0.15 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.27 1u6g h LEU 420 Cb 0.27 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1u6g h LEU 420 CO -0.00 -0.05 0.24 0.25 0.09 0.00 0.00 178.44 178.96 1u6g h LEU 421 N -0.07 0.15 -0.56 1.67 6.46 -0.99 0.13 115.31 122.11 1u6g h LEU 421 Ca 0.01 0.12 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1u6g h LEU 421 Cb 0.08 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 1u6g h LEU 421 CO -0.03 0.04 0.12 0.00 -0.62 0.00 0.00 178.44 177.95 1u6g h ALA 422 N 1.56 0.74 -0.14 1.25 0.00 -0.35 -2.58 119.26 119.74 1u6g h ALA 422 Ca 0.40 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1u6g h ALA 422 Cb 0.64 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1u6g h ALA 422 CO -0.44 0.46 0.08 0.00 0.00 0.00 0.00 179.25 179.36 1u6g h ARG 423 N 0.81 0.19 -0.70 0.00 3.08 0.16 -2.61 114.38 115.30 1u6g h ARG 423 Ca 0.17 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.34 1u6g h ARG 423 Cb 0.37 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 1u6g h ARG 423 CO 0.01 0.17 0.24 -0.92 -1.07 0.00 0.00 179.97 178.40 1u6g h TYR 424 N 0.15 0.41 -0.54 3.04 5.03 -0.73 0.40 116.97 124.73 1u6g h TYR 424 Ca 0.05 0.04 0.09 0.00 2.58 0.00 0.00 58.73 61.49 1u6g h TYR 424 Cb 0.03 -0.08 -0.07 0.00 1.55 0.00 0.00 36.73 38.16 1u6g h TYR 424 CO -0.05 0.03 0.14 0.00 -1.32 0.00 0.00 178.16 176.96 1u6g h ASP 426 N 0.29 -0.14 -0.32 0.00 3.58 -0.60 -0.95 116.42 118.29 1u6g h ASP 426 Ca 0.28 0.06 0.07 0.00 0.42 0.00 0.00 57.03 57.85 1u6g h ASP 426 Cb 0.36 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.46 1u6g h ASP 426 CO -0.33 -0.04 -0.12 0.28 -2.88 0.00 0.00 179.24 176.15 1u6g h SER 427 N 0.04 -0.41 -0.49 2.28 0.02 -0.45 -1.37 113.55 113.17 1u6g h SER 427 Ca 0.11 0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.21 1u6g h SER 427 Cb 0.16 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1u6g h SER 427 CO -0.21 -0.15 0.33 -0.07 -1.14 0.00 0.00 176.83 175.58 1u6g h LEU 428 N -0.06 0.44 -0.77 5.07 3.38 -0.70 -2.63 115.31 120.05 1u6g h LEU 428 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1u6g h LEU 428 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1u6g h LEU 428 CO -0.36 0.30 -0.21 0.18 0.09 0.00 0.00 178.44 178.44 1u6g n LEU 429 N -4.47 1.41 -4.85 1.67 7.99 -0.42 -4.91 117.00 113.42 1u6g n LEU 429 Ca 0.06 -0.44 -0.29 0.00 -0.01 0.00 0.00 56.01 55.33 1u6g n LEU 429 Cb 0.18 -0.07 0.16 0.00 -0.11 0.00 0.00 43.42 43.58 1u6g n LEU 429 CO 0.35 0.25 0.79 -0.54 -1.51 0.00 0.00 177.39 176.73 1u6g s LYS 430 N -2.35 0.81 -0.76 3.23 1.02 -0.61 0.74 119.74 121.82 1u6g s LYS 430 Ca 0.27 -0.09 -0.25 0.00 0.02 0.00 0.00 55.97 55.92 1u6g s LYS 430 Cb 0.20 -1.84 0.05 0.00 -0.52 0.00 0.00 37.83 35.72 1u6g s LYS 430 CO 0.47 -2.35 1.22 0.21 -0.92 0.00 0.00 175.35 173.98 1u6g s LYS 431 N -5.62 3.24 0.20 1.68 2.36 -1.07 -3.84 119.74 116.69 1u6g s LYS 431 Ca 0.69 -0.55 0.05 0.00 -2.55 0.00 0.00 55.97 53.60 1u6g s LYS 431 Cb -0.09 -4.36 -0.05 0.00 -1.05 0.00 0.00 37.83 32.28 1u6g s LYS 431 CO 0.53 -2.06 -0.06 -1.21 1.55 0.00 0.00 175.35 174.09 1u6g s GLU 437 N 5.11 1.23 0.09 4.03 2.02 -1.26 -4.94 118.70 124.99 1u6g s GLU 437 Ca 0.33 -1.58 -0.05 0.00 0.02 0.00 0.00 54.97 53.69 1u6g s GLU 437 Cb -0.09 -0.71 0.12 0.00 0.10 0.00 0.00 34.13 33.55 1u6g s GLU 437 CO 0.10 0.01 0.56 -1.91 0.02 0.00 0.00 175.26 174.04 1u6g n GLU 438 N -0.33 -0.06 -0.27 1.61 4.07 -1.26 -4.33 120.64 120.07 1u6g n GLU 438 Ca -0.08 0.56 -0.04 0.00 -0.06 0.00 0.00 57.16 57.55 1u6g n GLU 438 Cb 0.62 -0.83 0.07 0.00 -0.06 0.00 0.00 31.44 31.24 1u6g n GLU 438 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1u6g h ALA 439 N 0.60 0.96 -0.08 4.31 0.00 -2.04 -0.85 119.26 122.16 1u6g h ALA 439 Ca 0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1u6g h ALA 439 Cb 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1u6g h ALA 439 CO -0.36 0.31 -0.04 0.93 0.00 0.00 0.00 179.25 180.08 1u6g h GLU 440 N 0.96 0.16 -0.30 0.00 3.07 -1.98 -2.42 114.58 114.06 1u6g h GLU 440 Ca 0.28 -0.07 0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1u6g h GLU 440 Cb -0.05 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1u6g h GLU 440 CO -0.09 0.53 0.09 1.25 -1.40 0.00 0.00 179.01 179.39 1u6g h LEU 441 N -0.21 0.07 -0.31 1.33 5.85 -1.75 22.44 115.31 142.73 1u6g h LEU 441 Ca 0.02 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1u6g h LEU 441 Cb 0.48 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1u6g h LEU 441 CO 0.01 0.08 -0.17 -0.08 -0.34 0.00 0.00 178.44 177.94 1u6g h GLU 442 N 0.21 0.66 0.40 1.25 4.57 -1.23 0.48 114.58 120.90 1u6g h GLU 442 Ca 0.14 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 1u6g h GLU 442 Cb 0.12 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1u6g h GLU 442 CO -0.15 0.89 -0.19 0.22 -1.18 0.00 0.00 179.01 178.59 1u6g h ASP 443 N 0.41 -0.45 -0.40 1.04 3.58 -1.20 0.22 116.42 119.62 1u6g h ASP 443 Ca 0.07 -0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.49 1u6g h ASP 443 Cb 0.70 0.12 -0.08 0.00 1.72 0.00 0.00 39.33 41.78 1u6g h ASP 443 CO 0.05 -0.02 -0.17 0.74 -2.88 0.00 0.00 179.24 176.96 1u6g h THR 444 N -1.00 0.47 -0.65 2.25 2.02 5.28 2.60 112.91 123.88 1u6g h THR 444 Ca -0.05 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.23 1u6g h THR 444 Cb 0.53 0.47 -0.12 0.00 -1.74 0.00 0.00 68.15 67.30 1u6g h THR 444 CO 0.09 0.00 -0.37 -0.07 0.37 0.00 0.00 175.52 175.54 1u6g h LEU 445 N -0.09 -1.29 -1.17 2.58 4.07 -0.06 0.23 115.31 119.58 1u6g h LEU 445 Ca 0.20 0.24 0.10 0.00 0.08 0.00 0.00 57.88 58.50 1u6g h LEU 445 Cb 0.39 0.63 -0.07 0.00 1.08 0.00 0.00 40.66 42.69 1u6g h LEU 445 CO -0.46 -0.31 0.59 0.78 -1.08 0.00 0.00 178.44 177.96 1u6g h ASN 446 N -0.16 0.83 -0.49 -0.43 2.35 0.75 -0.54 115.58 117.90 1u6g h ASN 446 Ca 0.23 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1u6g h ASN 446 Cb 0.56 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1u6g h ASN 446 CO -0.73 0.49 0.02 1.56 -1.65 0.00 0.00 177.43 177.13 1u6g h GLN 447 N 0.92 0.90 -0.59 0.81 4.20 0.36 -2.54 115.11 119.17 1u6g h GLN 447 Ca 0.42 -0.25 0.07 0.00 0.06 0.00 0.00 58.65 58.95 1u6g h GLN 447 Cb 0.39 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 1u6g h GLN 447 CO -0.18 0.88 0.28 0.28 -0.67 0.00 0.00 178.83 179.42 1u6g h VAL 448 N 0.84 0.88 0.00 -0.54 2.07 0.55 0.26 116.25 120.32 1u6g h VAL 448 Ca 0.16 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1u6g h VAL 448 Cb 0.46 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1u6g h VAL 448 CO 0.02 0.09 -0.06 0.24 0.02 0.00 0.00 177.57 177.89 1u6g h MET 449 N 0.51 0.00 0.17 1.57 2.86 -1.04 -1.63 114.93 117.38 1u6g h MET 449 Ca 0.28 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1u6g h MET 449 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1u6g h MET 449 CO -0.22 0.06 -0.08 0.28 1.06 0.00 0.00 176.91 178.00 1u6g h VAL 450 N 0.00 0.92 -0.14 -2.22 2.07 -0.28 -3.08 116.25 113.53 1u6g h VAL 450 Ca -0.00 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.62 1u6g h VAL 450 Cb 0.20 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 1u6g h VAL 450 CO 0.01 0.20 -0.38 0.58 0.02 0.00 0.00 177.57 178.00 1u6g h VAL 451 N -0.73 0.20 -0.92 2.57 2.07 -0.82 -2.22 116.25 116.41 1u6g h VAL 451 Ca -0.02 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.73 1u6g h VAL 451 Cb 0.51 0.20 -0.17 0.00 -1.52 0.00 0.00 31.29 30.31 1u6g h VAL 451 CO 0.04 0.00 -0.06 0.33 0.02 0.00 0.00 177.57 177.90 1u6g n PHE 452 N -5.43 0.51 -0.33 1.57 7.35 -0.66 0.04 117.46 120.52 1u6g n PHE 452 Ca -0.04 1.11 0.15 0.00 -0.76 0.00 0.00 57.45 57.92 1u6g n PHE 452 Cb 0.35 -1.14 0.31 0.00 0.35 0.00 0.00 39.48 39.35 1u6g n PHE 452 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1u6g h LYS 453 N 0.00 0.05 0.00 -4.13 1.63 -1.30 0.31 116.57 113.12 1u6g h LYS 453 Ca 0.52 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1u6g h LYS 453 Cb 1.00 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1u6g h LYS 453 CO -0.89 0.03 0.00 1.88 -3.45 0.00 0.00 179.45 177.03 1u6g h TYR 454 N 0.05 0.00 -3.47 1.91 -1.99 -0.50 -3.46 116.97 109.51 1u6g h TYR 454 Ca 0.60 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.81 1u6g h TYR 454 Cb 1.28 0.00 0.06 0.00 2.00 0.00 0.00 36.73 40.08 1u6g h TYR 454 CO -0.40 0.00 0.76 0.42 -0.00 0.00 0.00 178.16 178.94 1u6g s ILE 455 N -3.29 2.56 -0.16 -2.88 1.09 0.11 -4.77 121.20 113.85 1u6g s ILE 455 Ca 0.06 0.49 0.13 0.00 -1.10 0.00 0.00 60.65 60.23 1u6g s ILE 455 Cb 0.06 -3.31 -0.24 0.00 -1.06 0.00 0.00 42.46 37.91 1u6g s ILE 455 CO 0.64 0.09 0.21 -1.84 -0.10 0.00 0.00 174.94 173.94 1u6g n GLU 456 N 2.01 0.67 -2.32 2.79 0.28 -1.26 -4.45 120.64 118.37 1u6g n GLU 456 Ca 0.06 0.11 -0.41 0.00 -0.16 0.00 0.00 57.16 56.75 1u6g n GLU 456 Cb 0.40 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.67 1u6g n GLU 456 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1u6g n ASP 457 N -2.93 6.88 0.27 -1.84 10.43 -1.26 -4.17 116.55 123.93 1u6g n ASP 457 Ca -0.30 -3.25 0.11 0.00 2.57 0.00 0.00 54.79 53.92 1u6g n ASP 457 Cb 1.11 -1.36 0.73 0.00 1.84 0.00 0.00 41.12 43.44 1u6g n ASP 457 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1u6g h LYS 458 N 4.98 0.00 -0.77 -1.24 1.57 -1.47 -2.32 116.57 117.32 1u6g h LYS 458 Ca 0.52 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1u6g h LYS 458 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1u6g h LYS 458 CO 1.46 0.08 0.30 0.38 -0.57 0.00 0.00 179.45 181.10 1u6g h ASP 459 N 0.00 1.07 -0.31 0.86 2.03 -1.71 -2.12 116.42 116.24 1u6g h ASP 459 Ca -0.00 -0.17 0.05 0.00 -0.73 0.00 0.00 57.03 56.18 1u6g h ASP 459 Cb 0.18 -0.28 -0.04 0.00 -0.83 0.00 0.00 39.33 38.36 1u6g h ASP 459 CO 0.01 0.95 0.03 0.58 -1.03 0.00 0.00 179.24 179.78 1u6g h VAL 460 N 1.13 0.81 -0.49 4.15 2.07 -1.72 0.23 116.25 122.44 1u6g h VAL 460 Ca 0.26 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.78 1u6g h VAL 460 Cb 0.22 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1u6g h VAL 460 CO -0.02 0.02 0.23 0.15 0.02 0.00 0.00 177.57 177.98 1u6g h PHE 461 N 0.13 0.43 -0.24 1.57 3.57 -1.52 -2.08 116.94 118.79 1u6g h PHE 461 Ca 0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1u6g h PHE 461 Cb 0.18 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1u6g h PHE 461 CO -0.20 0.20 0.15 1.96 -2.23 0.00 0.00 178.31 178.19 1u6g h GLN 462 N 0.46 0.30 0.12 1.11 4.20 -0.57 0.57 115.11 121.30 1u6g h GLN 462 Ca 0.22 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1u6g h GLN 462 Cb 0.14 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1u6g h GLN 462 CO -0.16 0.20 -0.20 -0.22 -0.67 0.00 0.00 178.83 177.78 1u6g h LYS 463 N 0.31 -0.37 -0.63 1.46 1.63 -0.29 -1.98 116.57 116.70 1u6g h LYS 463 Ca 0.09 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1u6g h LYS 463 Cb -0.02 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1u6g h LYS 463 CO -0.03 -0.25 0.35 0.74 -3.45 0.00 0.00 179.45 176.81 1u6g h PHE 464 N -0.38 0.87 -0.70 1.91 -1.00 -1.23 0.29 116.94 116.69 1u6g h PHE 464 Ca 0.02 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.82 1u6g h PHE 464 Cb 0.40 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1u6g h PHE 464 CO -0.19 0.62 0.46 -0.92 -1.61 0.00 0.00 178.31 176.67 1u6g h TYR 465 N 0.86 0.82 0.04 -0.55 5.03 -0.66 0.24 116.97 122.76 1u6g h TYR 465 Ca 0.22 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.43 1u6g h TYR 465 Cb 0.04 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.06 1u6g h TYR 465 CO -0.01 0.48 -0.50 0.00 -1.32 0.00 0.00 178.16 176.81 1u6g h ALA 466 N 1.59 -0.00 -0.76 1.82 0.00 -0.95 -1.35 119.26 119.61 1u6g h ALA 466 Ca 0.28 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1u6g h ALA 466 Cb 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1u6g h ALA 466 CO -0.08 0.24 0.50 -0.22 0.00 0.00 0.00 179.25 179.70 1u6g h LYS 467 N -0.41 0.60 0.04 0.00 1.63 0.17 0.14 116.57 118.74 1u6g h LYS 467 Ca -0.07 -0.04 -0.31 0.00 -0.85 0.00 0.00 60.65 59.38 1u6g h LYS 467 Cb 1.29 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.75 1u6g h LYS 467 CO 0.10 0.40 -1.73 0.52 -3.45 0.00 0.00 179.45 175.28 1u6g h MET 468 N 0.62 0.09 -0.42 1.90 2.86 -0.60 -3.10 114.93 116.29 1u6g h MET 468 Ca 0.36 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1u6g h MET 468 Cb 0.56 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 1u6g h MET 468 CO -0.13 0.76 -0.09 1.25 1.06 0.00 0.00 176.91 179.76 1u6g h LEU 469 N 0.03 0.71 -0.18 1.22 7.12 -0.86 -2.47 115.31 120.88 1u6g h LEU 469 Ca -0.30 -0.20 -0.04 0.00 0.13 0.00 0.00 57.88 57.47 1u6g h LEU 469 Cb 2.01 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 41.94 1u6g h LEU 469 CO 0.09 0.83 -0.03 0.00 -0.13 0.00 0.00 178.44 179.20 1u6g h ALA 470 N 1.24 0.24 0.00 1.25 0.00 -0.83 -0.82 119.26 120.34 1u6g h ALA 470 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u6g h ALA 470 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1u6g h ALA 470 CO 0.03 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.45 1u6g n LYS 471 N -4.67 0.11 -0.05 0.00 4.81 -1.07 -2.60 118.16 114.69 1u6g n LYS 471 Ca -0.05 0.54 -0.02 0.00 -0.87 0.00 0.00 58.31 57.91 1u6g n LYS 471 Cb 0.26 -1.81 -0.01 0.00 0.02 0.00 0.00 35.03 33.49 1u6g n LYS 471 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u6g h ARG 472 N 0.00 0.00 -1.31 1.64 3.08 -0.86 -3.21 114.38 113.72 1u6g h ARG 472 Ca 0.00 0.00 0.46 0.00 0.07 0.00 0.00 59.98 60.51 1u6g h ARG 472 Cb 0.09 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.00 1u6g h ARG 472 CO 0.00 0.00 0.83 1.28 -1.07 0.00 0.00 179.97 181.01 1u6g n LEU 473 N -4.27 0.21 0.00 3.04 4.77 -0.40 -3.19 117.00 117.15 1u6g n LEU 473 Ca -0.04 1.34 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 1u6g n LEU 473 Cb 0.14 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1u6g n LEU 473 CO 0.06 -1.46 0.00 0.52 -1.33 0.00 0.00 177.39 175.18 1u6g n VAL 474 N -4.65 0.00 0.00 4.08 0.31 -1.12 -4.96 118.33 111.99 1u6g n VAL 474 Ca 0.39 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1u6g n VAL 474 Cb 1.49 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.38 1u6g n VAL 474 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1u6g n HIS 475 N -0.08 0.00 -3.82 3.52 8.25 -1.19 -5.05 115.22 116.85 1u6g n HIS 475 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1u6g n HIS 475 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1u6g n HIS 475 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1u6g s GLN 476 N 0.00 0.73 0.00 -0.41 -0.21 -1.26 -4.90 119.66 113.61 1u6g s GLN 476 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.76 1u6g s GLN 476 Cb 0.00 0.30 0.00 0.00 1.00 0.00 0.00 33.01 34.31 1u6g s GLN 476 CO 0.00 -0.22 0.00 0.09 -2.12 0.00 0.00 175.29 173.04 1u6g n ASN 477 N 0.62 -1.05 -4.43 5.90 4.13 -1.26 -4.88 115.26 114.29 1u6g n ASN 477 Ca -0.19 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.74 1u6g n ASN 477 Cb 0.59 -0.29 -0.13 0.00 -1.54 0.00 0.00 39.78 38.41 1u6g n ASN 477 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1u6g s SER 478 N -2.48 4.29 0.95 6.41 0.01 -1.26 -2.58 113.70 119.03 1u6g s SER 478 Ca 0.00 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 1u6g s SER 478 Cb 0.00 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.66 1u6g s SER 478 CO 0.00 0.19 0.14 0.00 0.41 0.00 0.00 173.24 173.98 1u6g n ALA 479 N 3.37 -0.15 -1.54 1.44 0.00 0.23 -4.29 120.51 119.58 1u6g n ALA 479 Ca -0.18 -0.19 -0.44 0.00 0.00 0.00 0.00 53.44 52.63 1u6g n ALA 479 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1u6g n ALA 479 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u6g n SER 480 N -3.08 0.50 0.00 0.00 2.88 -1.26 -4.74 113.62 107.92 1u6g n SER 480 Ca 0.02 1.12 0.02 0.00 -1.33 0.00 0.00 58.87 58.70 1u6g n SER 480 Cb 0.06 -1.21 0.12 0.00 -0.75 0.00 0.00 64.21 62.44 1u6g n SER 480 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1u6g n ASP 481 N 1.31 0.00 0.05 -3.46 9.92 -1.26 -2.87 116.55 120.24 1u6g n ASP 481 Ca 0.11 0.04 -0.02 0.00 -0.53 0.00 0.00 54.79 54.39 1u6g n ASP 481 Cb 0.32 -0.14 -0.01 0.00 -0.64 0.00 0.00 41.12 40.65 1u6g n ASP 481 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1u6g h ASP 482 N 0.00 -0.13 -0.61 -2.24 3.45 -1.99 -2.08 116.42 112.82 1u6g h ASP 482 Ca 0.00 0.00 0.13 0.00 0.43 0.00 0.00 57.03 57.59 1u6g h ASP 482 Cb 0.02 0.03 -0.11 0.00 -0.56 0.00 0.00 39.33 38.72 1u6g h ASP 482 CO 0.00 0.04 -0.04 0.00 -1.57 0.00 0.00 179.24 177.67 1u6g h ALA 483 N -1.67 0.55 -0.47 3.45 0.00 -1.89 0.64 119.26 119.87 1u6g h ALA 483 Ca -0.02 0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1u6g h ALA 483 Cb 0.12 0.36 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1u6g h ALA 483 CO 0.03 -0.41 -0.18 1.49 0.00 0.00 0.00 179.25 180.18 1u6g h GLU 484 N 0.08 -0.08 -0.12 0.00 4.57 -1.66 0.32 114.58 117.69 1u6g h GLU 484 Ca 0.31 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 1u6g h GLU 484 Cb 0.50 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1u6g h GLU 484 CO -0.55 -0.05 0.03 0.00 -1.18 0.00 0.00 179.01 177.26 1u6g h ALA 485 N 1.29 0.15 -0.62 2.92 0.00 0.05 -2.58 119.26 120.48 1u6g h ALA 485 Ca 0.23 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1u6g h ALA 485 Cb 0.43 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1u6g h ALA 485 CO -0.53 -0.22 0.42 1.03 0.00 0.00 0.00 179.25 179.95 1u6g h SER 486 N -0.01 0.26 1.45 0.00 0.87 0.11 0.37 113.55 116.61 1u6g h SER 486 Ca 0.04 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.52 1u6g h SER 486 Cb 0.24 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1u6g h SER 486 CO -0.00 0.15 -0.40 -0.03 -0.53 0.00 0.00 176.83 176.01 1u6g h MET 487 N 0.28 0.00 -0.08 2.24 -1.53 -0.18 -2.48 114.93 113.19 1u6g h MET 487 Ca 0.30 0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.36 1u6g h MET 487 Cb 0.77 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.83 1u6g h MET 487 CO -0.07 0.40 -0.72 0.82 0.14 0.00 0.00 176.91 177.48 1u6g h ILE 488 N 0.00 1.33 -0.78 1.77 1.08 0.00 -2.36 117.51 118.55 1u6g h ILE 488 Ca -0.00 -2.01 0.07 0.00 -0.39 0.00 0.00 64.86 62.53 1u6g h ILE 488 Cb 1.24 2.25 -0.06 0.00 -3.07 0.00 0.00 36.82 37.17 1u6g h ILE 488 CO 0.05 0.61 0.45 0.28 -0.69 0.00 0.00 178.15 178.86 1u6g h SER 489 N 0.26 0.67 0.09 1.72 0.02 -0.78 0.98 113.55 116.51 1u6g h SER 489 Ca -0.07 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1u6g h SER 489 Cb 1.38 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1u6g h SER 489 CO 0.15 0.42 -0.20 0.11 -1.14 0.00 0.00 176.83 176.17 1u6g h LYS 490 N 0.80 0.22 0.08 3.45 1.57 -1.34 -2.80 116.57 118.55 1u6g h LYS 490 Ca 0.35 -0.06 -0.26 0.00 -1.87 0.00 0.00 60.65 58.81 1u6g h LYS 490 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1u6g h LYS 490 CO -0.20 0.42 -1.26 -0.07 -0.57 0.00 0.00 179.45 177.77 1u6g h LEU 491 N 0.20 0.25 -1.38 2.94 3.38 -0.68 -3.02 115.31 117.00 1u6g h LEU 491 Ca 0.04 -0.29 0.25 0.00 0.09 0.00 0.00 57.88 57.96 1u6g h LEU 491 Cb 0.47 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.06 1u6g h LEU 491 CO 0.03 1.24 0.65 0.11 0.09 0.00 0.00 178.44 180.56 1u6g h LYS 492 N 0.04 0.41 0.11 1.13 1.57 -0.58 -0.25 116.57 119.00 1u6g h LYS 492 Ca -0.13 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.41 1u6g h LYS 492 Cb 1.92 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 34.14 1u6g h LYS 492 CO 0.16 0.27 -1.07 0.37 -0.57 0.00 0.00 179.45 178.62 1u6g h GLN 493 N 0.43 0.24 0.03 3.15 4.15 -1.54 -3.41 115.11 118.15 1u6g h GLN 493 Ca 0.56 -0.41 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1u6g h GLN 493 Cb 1.38 0.15 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1u6g h GLN 493 CO -0.27 1.19 -0.02 0.00 -1.93 0.00 0.00 178.83 177.81 1u6g h ALA 494 N -0.02 -0.09 -2.05 3.38 0.00 -1.34 -3.47 119.26 115.68 1u6g h ALA 494 Ca -0.22 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.25 1u6g h ALA 494 Cb 1.64 0.02 0.22 0.00 0.00 0.00 0.00 17.79 19.67 1u6g h ALA 494 CO 0.08 -0.09 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 1u6g n GLY 496 N 1.25 -1.93 0.00 0.00 0.00 -1.26 -4.66 105.19 98.59 1u6g n GLY 496 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1u6g n GLY 496 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u6g n PHE 497 N 0.00 0.00 0.02 1.61 7.35 -1.26 -4.19 117.46 120.98 1u6g n PHE 497 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1u6g n PHE 497 Cb 0.00 0.00 0.44 0.00 0.35 0.00 0.00 39.48 40.27 1u6g n PHE 497 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1u6g h GLU 498 N 0.00 0.50 0.32 -4.13 9.09 -1.99 0.19 114.58 118.57 1u6g h GLU 498 Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.36 1u6g h GLU 498 Cb 0.69 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1u6g h GLU 498 CO 0.00 0.33 -0.16 -0.92 0.05 0.00 0.00 179.01 178.32 1u6g h TYR 499 N 0.52 -0.40 -0.86 2.06 3.20 -1.96 -2.50 116.97 117.02 1u6g h TYR 499 Ca 0.14 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.21 1u6g h TYR 499 Cb -0.05 0.13 -0.12 0.00 1.54 0.00 0.00 36.73 38.23 1u6g h TYR 499 CO -0.00 -0.18 0.33 1.15 -1.64 0.00 0.00 178.16 177.82 1u6g h THR 500 N -1.08 0.46 -0.47 1.81 2.02 -1.66 0.09 112.91 114.08 1u6g h THR 500 Ca -0.04 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1u6g h THR 500 Cb 0.41 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1u6g h THR 500 CO 0.07 0.06 0.17 0.28 0.37 0.00 0.00 175.52 176.48 1u6g h SER 501 N 0.35 0.67 -0.90 4.18 0.02 -0.69 -0.74 113.55 116.45 1u6g h SER 501 Ca 0.53 -0.19 0.17 0.00 -0.84 0.00 0.00 61.79 61.46 1u6g h SER 501 Cb 0.99 -0.18 -0.10 0.00 0.14 0.00 0.00 62.40 63.25 1u6g h SER 501 CO -0.54 0.68 0.48 0.11 -1.14 0.00 0.00 176.83 176.43 1u6g h LYS 502 N 0.63 0.62 -0.30 3.45 1.57 -0.52 0.71 116.57 122.74 1u6g h LYS 502 Ca 0.16 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1u6g h LYS 502 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1u6g h LYS 502 CO -0.01 0.41 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.03 1u6g h LEU 503 N 0.64 0.67 -0.69 2.94 -0.00 -0.93 -3.17 115.31 114.77 1u6g h LEU 503 Ca 0.51 -0.43 0.13 0.00 -0.00 0.00 0.00 57.88 58.09 1u6g h LEU 503 Cb 0.78 -0.19 -0.09 0.00 -0.00 0.00 0.00 40.66 41.16 1u6g h LEU 503 CO -0.39 0.96 0.24 1.56 -0.00 0.00 0.00 178.44 180.80 1u6g h GLN 504 N 0.40 0.37 -0.07 1.13 1.08 0.60 0.77 115.11 119.39 1u6g h GLN 504 Ca 0.06 -0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.26 1u6g h GLN 504 Cb 0.72 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1u6g h GLN 504 CO 0.05 0.24 0.06 0.00 -0.95 0.00 0.00 178.83 178.24 1u6g h ARG 505 N 0.38 0.00 -0.04 1.46 3.08 -1.23 0.92 114.38 118.95 1u6g h ARG 505 Ca 0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.36 1u6g h ARG 505 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1u6g h ARG 505 CO -0.40 0.00 -0.22 0.52 -1.07 0.00 0.00 179.97 178.80 1u6g h MET 506 N 0.00 0.22 -0.76 0.04 2.86 -0.89 -2.81 114.93 113.59 1u6g h MET 506 Ca 0.03 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1u6g h MET 506 Cb 0.16 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1u6g h MET 506 CO -0.00 0.84 0.42 0.74 1.06 0.00 0.00 176.91 179.97 1u6g h PHE 507 N -0.35 1.02 0.36 -0.22 -1.00 -0.75 -2.57 116.94 113.43 1u6g h PHE 507 Ca -0.02 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1u6g h PHE 507 Cb 0.88 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1u6g h PHE 507 CO 0.14 0.70 -0.44 0.37 -1.61 0.00 0.00 178.31 177.47 1u6g h GLN 508 N 1.05 -0.81 -0.34 1.51 4.15 -0.86 -2.04 115.11 117.77 1u6g h GLN 508 Ca 0.27 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.82 1u6g h GLN 508 Cb 0.01 0.18 -0.08 0.00 0.21 0.00 0.00 27.48 27.81 1u6g h GLN 508 CO -0.04 -0.54 -0.23 -0.44 -1.93 0.00 0.00 178.83 175.65 1u6g h ASP 509 N -0.84 -0.75 -0.83 -0.69 3.45 -1.30 0.37 116.42 115.83 1u6g h ASP 509 Ca -0.03 0.15 0.19 0.00 0.43 0.00 0.00 57.03 57.77 1u6g h ASP 509 Cb 0.77 0.38 -0.12 0.00 -0.56 0.00 0.00 39.33 39.80 1u6g h ASP 509 CO -0.11 -0.26 0.31 0.40 -1.57 0.00 0.00 179.24 178.01 1u6g h ILE 510 N -0.18 0.52 0.09 0.35 1.08 -1.19 2.12 117.51 120.29 1u6g h ILE 510 Ca 0.17 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1u6g h ILE 510 Cb 0.45 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1u6g h ILE 510 CO -0.45 0.07 -0.04 1.23 -0.69 0.00 0.00 178.15 178.27 1u6g h GLY 511 N 0.38 -0.12 0.42 5.37 0.00 -0.33 0.51 103.07 109.29 1u6g h GLY 511 Ca 0.49 0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.95 1u6g h GLY 511 CO -0.50 -0.05 0.14 -2.08 0.00 0.00 0.00 176.54 174.05 1u6g h VAL 512 N -0.41 0.76 -0.69 4.60 2.07 0.20 0.12 116.25 122.90 1u6g h VAL 512 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1u6g h VAL 512 Cb 0.35 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1u6g h VAL 512 CO 0.02 0.05 0.39 -1.28 0.02 0.00 0.00 177.57 176.77 1u6g h SER 513 N 0.29 0.85 0.09 0.57 0.87 0.35 -0.04 113.55 116.52 1u6g h SER 513 Ca 0.25 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1u6g h SER 513 Cb 0.31 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1u6g h SER 513 CO -0.30 0.67 -0.12 0.50 -0.53 0.00 0.00 176.83 177.06 1u6g h LYS 514 N 0.96 -0.24 -0.41 2.24 3.11 0.15 -0.83 116.57 121.55 1u6g h LYS 514 Ca 0.25 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 58.03 1u6g h LYS 514 Cb 0.01 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 1u6g h LYS 514 CO -0.04 -0.16 -0.06 0.22 -2.81 0.00 0.00 179.45 176.60 1u6g h ASP 515 N -0.25 0.66 -0.86 4.20 3.58 -0.90 -2.40 116.42 120.45 1u6g h ASP 515 Ca 0.01 -0.17 0.06 0.00 0.42 0.00 0.00 57.03 57.35 1u6g h ASP 515 Cb 0.25 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.07 1u6g h ASP 515 CO -0.05 0.77 0.54 0.25 -2.88 0.00 0.00 179.24 177.87 1u6g h LEU 516 N 0.63 0.86 -0.53 2.28 6.46 -0.46 -1.91 115.31 122.65 1u6g h LEU 516 Ca 0.12 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1u6g h LEU 516 Cb 0.48 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 1u6g h LEU 516 CO 0.03 0.56 0.05 0.78 -0.62 0.00 0.00 178.44 179.23 1u6g h ASN 517 N 1.00 0.88 0.58 1.25 2.35 -0.68 -2.41 115.58 118.55 1u6g h ASN 517 Ca 0.37 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1u6g h ASN 517 Cb 0.14 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1u6g h ASN 517 CO -0.16 0.94 0.00 -0.33 -1.65 0.00 0.00 177.43 176.23 1u6g h GLU 518 N 0.78 0.00 0.05 0.81 5.08 -1.00 0.25 114.58 120.55 1u6g h GLU 518 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1u6g h GLU 518 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1u6g h GLU 518 CO 0.02 0.00 -0.02 1.96 -1.00 0.00 0.00 179.01 179.96 1u6g h GLN 519 N 0.00 -0.07 -0.68 2.33 4.20 -0.95 -3.23 115.11 116.72 1u6g h GLN 519 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u6g h GLN 519 Cb 0.29 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1u6g h GLN 519 CO 0.00 0.45 0.42 0.35 -0.67 0.00 0.00 178.83 179.38 1u6g h PHE 520 N -0.96 0.87 -0.79 2.96 3.57 -1.10 -0.74 116.94 120.75 1u6g h PHE 520 Ca -0.01 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.63 1u6g h PHE 520 Cb 0.54 -0.29 -0.09 0.00 2.79 0.00 0.00 35.95 38.90 1u6g h PHE 520 CO 0.13 0.57 0.39 0.87 -2.23 0.00 0.00 178.31 178.04 1u6g h LYS 521 N 0.93 0.58 0.22 1.11 1.79 -0.60 -2.34 116.57 118.25 1u6g h LYS 521 Ca 0.25 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 1u6g h LYS 521 Cb -0.06 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 1u6g h LYS 521 CO -0.05 0.38 -0.11 0.87 -1.08 0.00 0.00 179.45 179.47 1u6g h LYS 522 N 0.59 -0.28 -1.45 3.15 1.57 -1.19 -3.01 116.57 115.95 1u6g h LYS 522 Ca 0.42 0.02 0.42 0.00 -1.87 0.00 0.00 60.65 59.64 1u6g h LYS 522 Cb 0.55 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 1u6g h LYS 522 CO -0.34 0.09 1.31 1.58 -0.57 0.00 0.00 179.45 181.53 1u6g n HIS 523 N -5.02 0.00 0.03 -1.35 -0.00 -0.56 0.23 115.22 108.55 1u6g n HIS 523 Ca -0.09 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.94 1u6g n HIS 523 Cb 0.26 -0.36 -0.14 0.00 -0.12 0.00 0.00 29.99 29.63 1u6g n HIS 523 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1u6g h LEU 524 N 0.00 0.28 -0.53 0.27 4.07 -1.35 -3.31 115.31 114.73 1u6g h LEU 524 Ca 0.69 -0.45 -0.06 0.00 0.08 0.00 0.00 57.88 58.15 1u6g h LEU 524 Cb 3.31 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 44.94 1u6g h LEU 524 CO -0.01 1.38 0.12 0.74 -1.08 0.00 0.00 178.44 179.59 1u6g h THR 525 N 0.05 1.25 0.00 0.22 2.02 0.31 -2.44 112.91 114.31 1u6g h THR 525 Ca -0.27 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1u6g h THR 525 Cb 2.00 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1u6g h THR 525 CO 0.13 0.33 0.00 -3.20 0.37 0.00 0.00 175.52 173.14 1u6g n ASN 526 N -4.41 1.73 0.00 4.18 4.05 0.48 -4.84 115.26 116.45 1u6g n ASN 526 Ca 0.02 -1.56 0.00 0.00 0.45 0.00 0.00 54.58 53.49 1u6g n ASN 526 Cb 0.24 -0.39 0.00 0.00 1.23 0.00 0.00 39.78 40.86 1u6g n ASN 526 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1u6g n SER 527 N 0.41 0.00 -4.57 1.20 3.41 -0.92 -5.00 113.62 108.16 1u6g n SER 527 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 1u6g n SER 527 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1u6g n SER 527 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1u6g s GLU 528 N -0.90 2.46 0.98 4.33 1.03 -1.26 -4.82 118.70 120.53 1u6g s GLU 528 Ca 0.00 1.58 -0.12 0.00 0.03 0.00 0.00 54.97 56.46 1u6g s GLU 528 Cb 0.00 -4.50 0.12 0.00 -0.80 0.00 0.00 34.13 28.95 1u6g s GLU 528 CO 0.00 -2.86 0.77 -2.30 -1.33 0.00 0.00 175.26 169.53 1u6g n PRO 529 N 8.93 -0.75 -3.69 -4.83 -0.02 -1.26 -4.94 135.00 128.45 1u6g n PRO 529 Ca 0.34 -0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.41 1u6g n PRO 529 Cb 0.51 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.87 1u6g n PRO 529 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u6g s LEU 530 N -4.26 4.19 0.00 2.45 1.43 -1.26 -5.00 118.68 116.23 1u6g s LEU 530 Ca 0.63 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1u6g s LEU 530 Cb -0.22 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1u6g s LEU 530 CO 0.63 -0.13 0.52 -0.90 0.23 0.00 0.00 176.35 176.70 1u6g n ASP 531 N -1.29 1.39 -3.61 2.29 3.85 -1.26 -4.80 116.55 113.12 1u6g n ASP 531 Ca -0.06 -1.39 0.04 0.00 -0.71 0.00 0.00 54.79 52.66 1u6g n ASP 531 Cb 0.56 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.98 1u6g n ASP 531 CO 0.00 0.00 0.00 -1.48 -1.01 0.00 0.00 177.20 174.71 1u6g s LEU 532 N 0.00 -0.01 -0.52 -2.12 0.05 -1.26 -5.10 118.68 109.72 1u6g s LEU 532 Ca 0.00 -0.04 -0.21 0.00 0.05 0.00 0.00 54.13 53.93 1u6g s LEU 532 Cb 0.00 1.09 0.05 0.00 -2.05 0.00 0.00 46.19 45.28 1u6g s LEU 532 CO 0.00 -0.07 0.76 -0.62 -0.55 0.00 0.00 176.35 175.87 1u6g s ASP 533 N -3.09 6.28 0.01 1.48 2.15 -1.26 -5.03 116.67 117.20 1u6g s ASP 533 Ca 0.17 -0.63 -0.00 0.00 0.43 0.00 0.00 52.55 52.51 1u6g s ASP 533 Cb 0.06 -2.36 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1u6g s ASP 533 CO -0.06 -1.03 0.10 0.12 -0.17 0.00 0.00 175.17 174.14 1u6g s PHE 534 N 3.21 3.33 -0.10 -5.34 5.36 -1.26 -5.03 117.98 118.14 1u6g s PHE 534 Ca 0.22 0.22 -0.22 0.00 -0.96 0.00 0.00 56.93 56.20 1u6g s PHE 534 Cb -0.16 -1.74 0.05 0.00 -0.34 0.00 0.00 43.02 40.83 1u6g s PHE 534 CO 0.16 0.57 0.53 0.45 -1.46 0.00 0.00 175.22 175.46 1u6g s SER 535 N -1.86 -0.50 0.27 6.13 0.15 -1.26 -5.03 113.70 111.59 1u6g s SER 535 Ca 0.25 0.71 0.02 0.00 0.70 0.00 0.00 55.95 57.62 1u6g s SER 535 Cb -0.12 0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1u6g s SER 535 CO 0.16 -0.39 0.13 -0.51 1.20 0.00 0.00 173.24 173.83 1u6g s ILE 536 N -0.62 0.35 -0.13 6.45 2.07 -1.26 -5.11 121.20 122.95 1u6g s ILE 536 Ca -0.07 -2.00 -0.03 0.00 -1.41 0.00 0.00 60.65 57.14 1u6g s ILE 536 Cb -0.03 -2.56 0.05 0.00 0.13 0.00 0.00 42.46 40.05 1u6g s ILE 536 CO 0.05 0.00 0.04 -1.10 -1.91 0.00 0.00 174.94 172.02 1u6g s GLN 537 N -3.96 0.37 -0.28 3.50 -1.52 -1.26 -4.87 119.66 111.64 1u6g s GLN 537 Ca 0.37 -0.05 -0.10 0.00 -1.95 0.00 0.00 55.36 53.63 1u6g s GLN 537 Cb 0.06 -1.44 -0.04 0.00 -0.22 0.00 0.00 33.01 31.37 1u6g s GLN 537 CO 0.15 -0.50 0.17 0.08 -0.25 0.00 0.00 175.29 174.94 1u6g s VAL 538 N 2.01 5.04 -0.09 1.09 1.01 -1.26 -5.06 120.40 123.15 1u6g s VAL 538 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1u6g s VAL 538 Cb -0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1u6g s VAL 538 CO -0.07 0.23 -0.17 -0.76 0.00 0.00 0.00 175.10 174.34 1u6g s LEU 539 N 1.71 2.55 -0.08 3.92 1.43 -1.26 -4.62 118.68 122.33 1u6g s LEU 539 Ca 0.07 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 1u6g s LEU 539 Cb -0.16 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1u6g s LEU 539 CO 0.09 0.24 1.89 -0.94 0.23 0.00 0.00 176.35 177.86 1u6g s SER 540 N -0.13 6.29 0.29 2.29 1.04 -1.26 -4.86 113.70 117.36 1u6g s SER 540 Ca -0.02 2.24 0.02 0.00 0.48 0.00 0.00 55.95 58.66 1u6g s SER 540 Cb -0.14 -2.53 0.73 0.00 0.10 0.00 0.00 66.02 64.18 1u6g s SER 540 CO 0.04 -1.24 1.61 0.28 0.98 0.00 0.00 173.24 174.90 1u6g h SER 541 N 11.28 -0.22 -0.70 7.02 0.02 -1.97 -1.74 113.55 127.24 1u6g h SER 541 Ca -0.43 0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1u6g h SER 541 Cb 1.21 0.37 -0.03 0.00 0.14 0.00 0.00 62.40 64.08 1u6g h SER 541 CO 0.96 -0.26 0.31 1.23 -1.14 0.00 0.00 176.83 177.94 1u6g h GLY 542 N 0.10 1.13 1.34 -3.77 0.00 -1.97 -3.20 103.07 96.70 1u6g h GLY 542 Ca 0.57 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1u6g h GLY 542 CO -0.77 0.54 -0.12 1.44 0.00 0.00 0.00 176.54 177.63 1u6g n SER 543 N -4.31 0.26 -4.50 0.19 7.64 -0.66 -4.88 113.62 107.37 1u6g n SER 543 Ca 0.07 -0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.50 1u6g n SER 543 Cb 0.16 -0.18 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1u6g n SER 543 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1u6g s TRP 544 N -2.72 2.59 -0.51 1.43 0.52 -1.19 -4.83 118.94 114.23 1u6g s TRP 544 Ca 0.22 -0.23 0.25 0.00 0.02 0.00 0.00 56.10 56.35 1u6g s TRP 544 Cb 0.19 -1.41 0.95 0.00 -1.15 0.00 0.00 33.47 32.06 1u6g s TRP 544 CO 0.52 0.35 1.74 -1.00 0.02 0.00 0.00 176.95 178.59 1u6g h PRO 545 N 3.98 0.00 -7.04 4.98 0.13 -1.89 -3.46 132.00 128.70 1u6g h PRO 545 Ca -0.49 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 1u6g h PRO 545 Cb 1.16 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.43 1u6g h PRO 545 CO 0.48 0.00 0.64 -0.06 -0.23 0.00 0.00 178.00 178.83 1u6g s PHE 546 N -3.28 2.28 -0.04 1.56 2.99 -1.26 -5.04 117.98 115.19 1u6g s PHE 546 Ca 0.06 1.33 0.02 0.00 0.00 0.00 0.00 56.93 58.34 1u6g s PHE 546 Cb 0.10 -3.86 0.01 0.00 0.00 0.00 0.00 43.02 39.27 1u6g s PHE 546 CO 0.45 -3.02 -0.07 -1.14 -0.00 0.00 0.00 175.22 171.45 1u6g s GLN 547 N -2.82 0.94 0.79 0.44 0.74 -1.26 -5.06 119.66 113.43 1u6g s GLN 547 Ca 0.70 -0.20 -0.11 0.00 0.05 0.00 0.00 55.36 55.80 1u6g s GLN 547 Cb -0.42 -0.89 0.07 0.00 1.10 0.00 0.00 33.01 32.87 1u6g s GLN 547 CO 0.51 -0.00 1.09 -1.14 -0.55 0.00 0.00 175.29 175.19 1u6g s GLN 548 N 0.62 2.13 0.00 1.67 -0.44 -1.26 -4.96 119.66 117.42 1u6g s GLN 548 Ca -0.09 0.93 0.00 0.00 -2.50 0.00 0.00 55.36 53.70 1u6g s GLN 548 Cb -0.12 -1.90 0.00 0.00 -1.64 0.00 0.00 33.01 29.35 1u6g s GLN 548 CO 0.01 -1.66 0.00 -1.13 0.50 0.00 0.00 175.29 173.01 1u6g n SER 549 N -3.51 3.04 0.00 6.67 3.41 -1.26 -5.09 113.62 116.88 1u6g n SER 549 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1u6g n SER 549 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1u6g n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6g n THR 551 N 0.00 2.12 -3.58 0.00 -2.24 -1.26 -4.97 114.28 104.36 1u6g n THR 551 Ca 0.00 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.23 1u6g n THR 551 Cb 0.00 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.36 1u6g n THR 551 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1u6g s PHE 552 N -1.36 -1.04 -0.25 4.78 5.36 -1.26 -4.40 117.98 119.81 1u6g s PHE 552 Ca 0.64 1.71 -0.29 0.00 -0.96 0.00 0.00 56.93 58.03 1u6g s PHE 552 Cb -0.59 0.45 -0.01 0.00 -0.34 0.00 0.00 43.02 42.52 1u6g s PHE 552 CO 0.57 -0.60 1.44 0.00 -1.46 0.00 0.00 175.22 175.17 1u6g s ALA 553 N 2.71 3.35 -0.19 11.12 0.00 -0.64 -4.97 121.76 133.15 1u6g s ALA 553 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1u6g s ALA 553 Cb -0.13 -3.80 -0.01 0.00 0.00 0.00 0.00 23.12 19.19 1u6g s ALA 553 CO -0.16 -1.81 1.20 -1.17 0.00 0.00 0.00 175.76 173.83 1u6g s LEU 554 N 4.67 4.14 0.71 0.00 2.96 -1.26 -4.69 118.68 125.21 1u6g s LEU 554 Ca 0.63 1.58 -0.16 0.00 -0.22 0.00 0.00 54.13 55.95 1u6g s LEU 554 Cb -0.21 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1u6g s LEU 554 CO 0.25 -0.76 0.42 -0.81 -1.32 0.00 0.00 176.35 174.14 1u6g n PRO 555 N 6.58 0.28 0.05 0.98 -0.04 -1.26 -4.83 135.00 136.75 1u6g n PRO 555 Ca 0.13 0.13 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1u6g n PRO 555 Cb 0.45 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.12 1u6g n PRO 555 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1u6g h SER 556 N -0.33 -0.04 0.00 3.54 0.02 -1.99 -3.10 113.55 111.66 1u6g h SER 556 Ca -0.45 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1u6g h SER 556 Cb 1.36 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1u6g h SER 556 CO 0.42 0.05 0.13 -1.84 -1.14 0.00 0.00 176.83 174.44 1u6g n GLU 557 N -5.07 0.00 -0.05 3.45 0.00 -1.26 -0.77 120.64 116.94 1u6g n GLU 557 Ca -0.08 0.09 -0.06 0.00 0.00 0.00 0.00 57.16 57.11 1u6g n GLU 557 Cb 0.08 -1.63 -0.06 0.00 0.00 0.00 0.00 31.44 29.83 1u6g n GLU 557 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1u6g n LEU 558 N -0.92 1.35 -0.58 -1.84 4.77 -1.17 -4.70 117.00 113.90 1u6g n LEU 558 Ca 0.00 -0.03 0.44 0.00 -0.03 0.00 0.00 56.01 56.39 1u6g n LEU 558 Cb 0.13 -0.06 0.68 0.00 -2.33 0.00 0.00 43.42 41.83 1u6g n LEU 558 CO 0.00 0.43 1.24 1.21 -1.33 0.00 0.00 177.39 178.94 1u6g n GLU 559 N -2.55 0.00 0.02 3.23 4.07 0.05 0.82 120.64 126.28 1u6g n GLU 559 Ca -0.17 0.91 -0.19 0.00 -0.06 0.00 0.00 57.16 57.65 1u6g n GLU 559 Cb 0.75 -2.10 -0.09 0.00 -0.06 0.00 0.00 31.44 29.94 1u6g n GLU 559 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1u6g h ARG 560 N 0.00 0.74 -0.47 5.31 2.43 -1.84 -2.31 114.38 118.23 1u6g h ARG 560 Ca 0.78 -0.71 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1u6g h ARG 560 Cb 3.15 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 32.87 1u6g h ARG 560 CO -0.01 1.30 -0.07 0.77 -1.51 0.00 0.00 179.97 180.45 1u6g h SER 561 N 0.44 0.81 0.00 -3.80 0.02 0.10 -0.48 113.55 110.64 1u6g h SER 561 Ca -0.10 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1u6g h SER 561 Cb 1.58 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1u6g h SER 561 CO 0.19 0.92 0.00 0.00 -1.14 0.00 0.00 176.83 176.80 1u6g n TYR 562 N -4.17 0.00 -0.24 3.45 4.19 -0.83 -1.51 117.16 118.05 1u6g n TYR 562 Ca 0.02 0.00 0.04 0.00 3.31 0.00 0.00 57.90 61.26 1u6g n TYR 562 Cb 0.35 -0.27 0.16 0.00 0.49 0.00 0.00 39.34 40.07 1u6g n TYR 562 CO 0.00 0.00 0.00 1.96 0.91 0.00 0.00 176.86 179.73 1u6g h GLN 563 N 0.00 0.39 -0.95 2.98 4.20 -1.47 0.89 115.11 121.15 1u6g h GLN 563 Ca 0.00 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.80 1u6g h GLN 563 Cb 0.00 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.62 1u6g h GLN 563 CO 0.00 0.26 0.61 -0.09 -0.67 0.00 0.00 178.83 178.94 1u6g h ARG 564 N 0.41 0.90 0.00 1.46 9.65 -1.13 -0.76 114.38 124.91 1u6g h ARG 564 Ca 0.38 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.21 1u6g h ARG 564 Cb 0.56 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1u6g h ARG 564 CO -0.39 0.60 -0.00 0.35 2.80 0.00 0.00 179.97 183.32 1u6g h PHE 565 N 0.93 -0.01 -0.82 2.20 3.57 0.07 -3.03 116.94 119.85 1u6g h PHE 565 Ca 0.46 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.08 1u6g h PHE 565 Cb 0.48 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.08 1u6g h PHE 565 CO -0.00 0.86 -0.41 1.15 -2.23 0.00 0.00 178.31 177.68 1u6g h THR 566 N -0.96 0.06 -0.31 4.41 2.02 -0.59 0.35 112.91 117.88 1u6g h THR 566 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1u6g h THR 566 Cb 0.87 0.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 1u6g h THR 566 CO 0.00 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 175.77 1u6g h ALA 567 N 1.04 0.14 -0.12 6.16 0.00 -1.27 0.36 119.26 125.57 1u6g h ALA 567 Ca 0.27 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.33 1u6g h ALA 567 Cb 0.56 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1u6g h ALA 567 CO -0.85 -0.51 -0.13 0.35 0.00 0.00 0.00 179.25 178.10 1u6g h PHE 568 N -0.07 -0.34 -0.80 0.00 3.57 -0.37 -0.73 116.94 118.22 1u6g h PHE 568 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1u6g h PHE 568 Cb 0.30 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 1u6g h PHE 568 CO -0.33 -0.20 0.52 -0.92 -2.23 0.00 0.00 178.31 175.15 1u6g h TYR 569 N -0.17 1.01 0.00 0.41 3.20 -0.06 0.48 116.97 121.84 1u6g h TYR 569 Ca 0.09 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 1u6g h TYR 569 Cb 0.29 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1u6g h TYR 569 CO -0.25 0.64 -0.25 0.00 -1.64 0.00 0.00 178.16 176.67 1u6g h ALA 570 N 1.49 1.39 0.00 1.82 0.00 -0.33 0.47 119.26 124.10 1u6g h ALA 570 Ca 0.29 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1u6g h ALA 570 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1u6g h ALA 570 CO -0.06 0.31 -0.44 0.66 0.00 0.00 0.00 179.25 179.72 1u6g h SER 571 N 0.00 0.00 0.14 0.00 4.64 0.52 -3.26 113.55 115.59 1u6g h SER 571 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1u6g h SER 571 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1u6g h SER 571 CO 0.03 0.35 -1.66 -0.09 -0.87 0.00 0.00 176.83 174.59 1u6g h ARG 572 N 0.00 0.30 -3.59 4.77 9.65 0.06 -3.43 114.38 122.14 1u6g h ARG 572 Ca -0.01 -0.52 -0.60 0.00 -1.10 0.00 0.00 59.98 57.75 1u6g h ARG 572 Cb 1.28 0.19 -0.40 0.00 -1.39 0.00 0.00 29.97 29.65 1u6g h ARG 572 CO 0.04 1.25 -0.75 -1.01 2.80 0.00 0.00 179.97 182.31 1u6g s HIS 573 N -2.53 2.07 0.06 2.20 3.76 0.15 -5.02 115.29 115.98 1u6g s HIS 573 Ca -0.19 -2.08 -0.35 0.00 -0.15 0.00 0.00 55.06 52.29 1u6g s HIS 573 Cb 0.05 -1.93 -0.20 0.00 1.11 0.00 0.00 32.58 31.61 1u6g s HIS 573 CO 0.80 -0.87 1.57 1.03 -0.85 0.00 0.00 174.74 176.42 1u6g h SER 574 N 7.71 -0.92 0.21 1.40 0.87 -1.81 -2.93 113.55 118.08 1u6g h SER 574 Ca -0.09 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1u6g h SER 574 Cb 1.00 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1u6g h SER 574 CO 0.48 -0.65 0.00 0.61 -0.53 0.00 0.00 176.83 176.74 1u6g n GLY 575 N -1.50 -0.69 3.99 5.77 0.00 -1.26 -4.81 105.19 106.68 1u6g n GLY 575 Ca -0.15 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1u6g n GLY 575 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u6g s ARG 576 N -2.91 2.20 -0.21 1.61 0.52 -1.11 -5.13 118.95 113.92 1u6g s ARG 576 Ca 0.04 -1.01 -0.21 0.00 -0.52 0.00 0.00 55.73 54.03 1u6g s ARG 576 Cb 0.04 -2.45 0.06 0.00 0.52 0.00 0.00 34.95 33.12 1u6g s ARG 576 CO 0.12 -0.99 0.60 0.21 0.02 0.00 0.00 175.30 175.26 1u6g s LYS 577 N -4.88 0.71 -0.10 3.54 2.47 -1.26 -4.96 119.74 115.27 1u6g s LYS 577 Ca 0.61 0.79 -0.05 0.00 -1.56 0.00 0.00 55.97 55.76 1u6g s LYS 577 Cb -0.08 0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 36.60 1u6g s LYS 577 CO 0.40 -0.10 0.11 -0.51 0.16 0.00 0.00 175.35 175.42 1u6g s LEU 578 N 0.22 4.20 -0.30 5.43 1.43 -1.26 -5.07 118.68 123.33 1u6g s LEU 578 Ca -0.01 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1u6g s LEU 578 Cb -0.04 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.21 1u6g s LEU 578 CO 0.01 0.39 0.03 0.28 0.23 0.00 0.00 176.35 177.30 1u6g s THR 579 N -1.02 1.55 0.27 5.49 -1.32 -1.26 -5.11 115.64 114.24 1u6g s THR 579 Ca 0.16 -1.66 -0.30 0.00 -1.21 0.00 0.00 61.69 58.68 1u6g s THR 579 Cb -0.12 -2.05 -0.10 0.00 -1.51 0.00 0.00 72.50 68.72 1u6g s THR 579 CO 0.05 -0.47 1.37 0.26 -2.21 0.00 0.00 174.62 173.62 1u6g s TRP 580 N 1.31 3.07 -0.45 9.09 0.52 -1.26 -4.98 118.94 126.24 1u6g s TRP 580 Ca 0.05 1.20 -0.04 0.00 0.02 0.00 0.00 56.10 57.34 1u6g s TRP 580 Cb -0.18 -3.73 0.12 0.00 -1.15 0.00 0.00 33.47 28.53 1u6g s TRP 580 CO -0.13 -2.24 0.26 -0.51 0.02 0.00 0.00 176.95 174.35 1u6g s LEU 581 N -0.84 5.31 0.14 2.99 1.43 -1.26 -4.78 118.68 121.67 1u6g s LEU 581 Ca 0.55 -2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 51.47 1u6g s LEU 581 Cb -0.40 -1.85 -0.08 0.00 0.03 0.00 0.00 46.19 43.88 1u6g s LEU 581 CO 0.46 -0.53 1.31 1.88 0.23 0.00 0.00 176.35 179.70 1u6g h TYR 582 N 7.92 0.51 0.00 0.29 -1.99 -1.94 -3.06 116.97 118.70 1u6g h TYR 582 Ca -0.12 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1u6g h TYR 582 Cb 1.03 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.71 1u6g h TYR 582 CO 0.59 1.11 0.04 0.00 -0.00 0.00 0.00 178.16 179.90 1u6g n GLN 583 N -3.70 0.09 -2.04 4.88 0.00 -1.26 -1.08 117.38 114.27 1u6g n GLN 583 Ca -0.06 0.58 -0.11 0.00 0.00 0.00 0.00 57.00 57.41 1u6g n GLN 583 Cb 0.84 -1.83 0.05 0.00 0.00 0.00 0.00 30.24 29.30 1u6g n GLN 583 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1u6g n LEU 584 N -1.97 3.32 -3.80 2.61 4.77 -1.16 -5.02 117.00 115.75 1u6g n LEU 584 Ca -0.01 -3.90 -0.13 0.00 -0.03 0.00 0.00 56.01 51.94 1u6g n LEU 584 Cb 0.06 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 40.93 1u6g n LEU 584 CO 0.06 1.57 -0.16 -0.94 -1.33 0.00 0.00 177.39 176.59 1u6g s SER 585 N -3.49 -0.19 0.08 -1.43 1.04 -0.24 -4.89 113.70 104.58 1u6g s SER 585 Ca 0.41 0.38 0.01 0.00 0.48 0.00 0.00 55.95 57.22 1u6g s SER 585 Cb 0.38 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.86 1u6g s SER 585 CO -0.02 -0.08 0.02 2.29 0.98 0.00 0.00 173.24 176.44 1u6g n LYS 586 N 3.17 0.99 -3.93 4.02 0.00 -1.26 -0.12 118.16 121.02 1u6g n LYS 586 Ca -0.15 -0.63 -0.01 0.00 -0.00 0.00 0.00 58.31 57.53 1u6g n LYS 586 Cb 0.58 0.32 0.02 0.00 -0.00 0.00 0.00 35.03 35.94 1u6g n LYS 586 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1u6g s GLY 587 N -1.46 0.02 -0.18 2.58 0.00 0.10 -4.80 107.32 103.59 1u6g s GLY 587 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 1u6g s GLY 587 CO 0.02 3.93 -0.06 -0.54 0.00 0.00 0.00 173.10 176.46 1u6g s GLU 588 N -2.08 3.50 0.04 2.90 2.02 -1.26 -0.31 118.70 123.51 1u6g s GLU 588 Ca 0.25 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.69 1u6g s GLU 588 Cb -0.02 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.27 1u6g s GLU 588 CO 0.03 0.06 -0.05 -1.17 0.02 0.00 0.00 175.26 174.15 1u6g s LEU 589 N 0.81 3.27 -0.02 1.80 2.96 -0.81 -4.94 118.68 121.75 1u6g s LEU 589 Ca -0.02 -0.18 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1u6g s LEU 589 Cb -0.15 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1u6g s LEU 589 CO 0.02 0.23 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.40 1u6g s VAL 590 N -1.13 2.69 -0.58 1.68 1.01 -1.26 -0.49 120.40 122.32 1u6g s VAL 590 Ca 0.21 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1u6g s VAL 590 Cb -0.11 -2.04 0.15 0.00 0.00 0.00 0.00 36.38 34.37 1u6g s VAL 590 CO 0.12 0.52 0.39 0.42 0.00 0.00 0.00 175.10 176.55 1u6g s THR 591 N -0.75 3.57 -0.84 3.92 -4.23 -0.22 -4.96 115.64 112.14 1u6g s THR 591 Ca 0.12 -2.82 -0.03 0.00 -1.18 0.00 0.00 61.69 57.78 1u6g s THR 591 Cb -0.10 -3.36 0.22 0.00 1.34 0.00 0.00 72.50 70.60 1u6g s THR 591 CO 0.01 -0.84 2.28 -0.46 -0.54 0.00 0.00 174.62 175.07 1u6g n ASN 592 N 3.66 7.26 0.00 3.99 6.94 -1.26 -3.86 115.26 131.98 1u6g n ASN 592 Ca 0.06 -3.51 0.00 0.00 -0.02 0.00 0.00 54.58 51.11 1u6g n ASN 592 Cb 0.38 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 1u6g n ASN 592 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u6g s PHE 594 N 0.00 2.10 0.13 0.00 2.99 -1.26 -4.72 117.98 117.22 1u6g s PHE 594 Ca 0.00 -0.85 -0.27 0.00 0.00 0.00 0.00 56.93 55.81 1u6g s PHE 594 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 43.02 41.30 1u6g s PHE 594 CO 0.00 0.29 1.60 1.57 -0.00 0.00 0.00 175.22 178.68 1u6g h LYS 595 N 1.48 -0.44 -6.26 0.44 2.10 -1.95 -3.40 116.57 108.54 1u6g h LYS 595 Ca -0.44 0.03 -0.63 0.00 -2.00 0.00 0.00 60.65 57.62 1u6g h LYS 595 Cb 1.29 0.10 -0.10 0.00 -0.90 0.00 0.00 32.23 32.62 1u6g h LYS 595 CO 0.76 -0.29 -0.62 -0.80 -2.00 0.00 0.00 179.45 176.50 1u6g s ASN 596 N -4.89 5.26 -0.18 7.07 0.02 -1.26 -5.11 114.94 115.85 1u6g s ASN 596 Ca -0.15 -0.14 -0.06 0.00 -1.02 0.00 0.00 52.86 51.49 1u6g s ASN 596 Cb 0.10 -1.32 -0.03 0.00 0.02 0.00 0.00 41.25 40.02 1u6g s ASN 596 CO 0.65 0.14 0.02 0.00 0.02 0.00 0.00 177.10 177.94 1u6g s ARG 597 N -2.57 3.80 0.24 -0.60 1.04 -1.26 -4.85 118.95 114.76 1u6g s ARG 597 Ca 0.28 -0.44 0.04 0.00 -1.04 0.00 0.00 55.73 54.57 1u6g s ARG 597 Cb -0.11 -3.11 -0.05 0.00 -2.04 0.00 0.00 34.95 29.63 1u6g s ARG 597 CO 0.21 0.19 -0.00 0.71 -0.04 0.00 0.00 175.30 176.36 1u6g s TYR 598 N 0.56 1.59 -0.30 5.89 1.51 -1.25 -4.90 117.35 120.45 1u6g s TYR 598 Ca 0.01 -0.92 -0.09 0.00 -1.01 0.00 0.00 57.07 55.06 1u6g s TYR 598 Cb -0.13 -0.92 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1u6g s TYR 598 CO 0.02 -0.03 0.12 0.99 -1.11 0.00 0.00 175.55 175.54 1u6g s THR 599 N -3.40 4.42 -0.17 -0.71 2.01 -0.91 -1.06 115.64 115.82 1u6g s THR 599 Ca 0.29 -0.43 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1u6g s THR 599 Cb 0.06 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 1u6g s THR 599 CO 0.09 0.12 -0.12 -1.48 -0.69 0.00 0.00 174.62 172.54 1u6g s LEU 600 N 1.59 2.65 0.19 4.42 2.34 0.36 -2.22 118.68 128.01 1u6g s LEU 600 Ca 0.04 -0.41 -0.30 0.00 0.06 0.00 0.00 54.13 53.52 1u6g s LEU 600 Cb -0.17 -1.62 -0.09 0.00 -0.56 0.00 0.00 46.19 43.75 1u6g s LEU 600 CO 0.05 0.07 1.40 -1.10 -1.06 0.00 0.00 176.35 175.71 1u6g s GLN 601 N 0.89 4.31 -0.11 1.48 -1.52 -0.56 -1.93 119.66 122.23 1u6g s GLN 601 Ca -0.03 2.17 -0.10 0.00 -1.95 0.00 0.00 55.36 55.46 1u6g s GLN 601 Cb -0.15 -3.17 0.03 0.00 -0.22 0.00 0.00 33.01 29.50 1u6g s GLN 601 CO -0.00 -0.39 0.30 0.00 -0.25 0.00 0.00 175.29 174.95 1u6g s ALA 602 N 0.40 -0.73 0.74 6.09 0.00 0.57 -1.98 121.76 126.86 1u6g s ALA 602 Ca 0.61 0.86 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 1u6g s ALA 602 Cb -0.39 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.27 1u6g s ALA 602 CO 0.37 -0.15 1.18 -1.54 0.00 0.00 0.00 175.76 175.63 1u6g s SER 603 N 0.25 4.22 0.15 0.00 1.04 -1.26 -0.72 113.70 117.38 1u6g s SER 603 Ca -0.01 2.27 -0.22 0.00 0.48 0.00 0.00 55.95 58.47 1u6g s SER 603 Cb -0.03 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.54 1u6g s SER 603 CO -0.00 -2.24 1.63 0.74 0.98 0.00 0.00 173.24 174.35 1u6g h THR 604 N -0.42 0.39 -0.69 2.02 2.02 -0.72 -1.69 112.91 113.82 1u6g h THR 604 Ca -0.47 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.84 1u6g h THR 604 Cb 1.28 0.39 -0.13 0.00 -1.74 0.00 0.00 68.15 67.95 1u6g h THR 604 CO 0.50 0.00 -0.26 -0.26 0.37 0.00 0.00 175.52 175.87 1u6g h PHE 605 N -0.25 -0.65 -0.58 3.16 0.05 -1.82 0.25 116.94 117.09 1u6g h PHE 605 Ca 0.14 0.07 0.06 0.00 3.82 0.00 0.00 57.97 62.06 1u6g h PHE 605 Cb 0.46 0.39 -0.06 0.00 2.00 0.00 0.00 35.95 38.74 1u6g h PHE 605 CO -0.39 -0.35 0.28 1.96 -0.18 0.00 0.00 178.31 179.63 1u6g h GLN 606 N -0.07 0.51 -0.67 1.51 4.20 -1.68 -1.46 115.11 117.45 1u6g h GLN 606 Ca 0.30 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1u6g h GLN 606 Cb 0.55 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1u6g h GLN 606 CO -0.74 0.34 0.32 0.52 -0.67 0.00 0.00 178.83 178.60 1u6g h MET 607 N 0.53 0.97 -0.81 1.46 2.86 -0.09 0.10 114.93 119.95 1u6g h MET 607 Ca 0.27 -0.15 0.19 0.00 -2.06 0.00 0.00 59.70 57.96 1u6g h MET 607 Cb 0.22 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1u6g h MET 607 CO -0.21 0.77 0.55 0.00 1.06 0.00 0.00 176.91 179.09 1u6g h ALA 608 N 1.15 2.35 0.00 6.32 0.00 0.38 -1.01 119.26 128.44 1u6g h ALA 608 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1u6g h ALA 608 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1u6g h ALA 608 CO -0.03 -0.59 -0.04 0.82 0.00 0.00 0.00 179.25 179.41 1u6g h ILE 609 N 0.27 0.00 -0.83 0.00 2.04 -0.56 -3.37 117.51 115.07 1u6g h ILE 609 Ca 0.41 -0.16 0.18 0.00 1.00 0.00 0.00 64.86 66.29 1u6g h ILE 609 Cb 1.18 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.10 1u6g h ILE 609 CO -0.11 0.00 -0.16 0.18 0.00 0.00 0.00 178.15 178.06 1u6g n LEU 610 N -2.53 -0.26 0.18 1.44 4.77 0.24 0.11 117.00 120.95 1u6g n LEU 610 Ca -0.01 1.42 0.18 0.00 -0.03 0.00 0.00 56.01 57.58 1u6g n LEU 610 Cb 0.02 -0.45 0.75 0.00 -2.33 0.00 0.00 43.42 41.42 1u6g n LEU 610 CO 0.01 -1.38 1.16 -0.07 -1.33 0.00 0.00 177.39 175.78 1u6g h LEU 611 N 0.00 0.00 -0.91 2.23 3.38 -1.38 0.19 115.31 118.83 1u6g h LEU 611 Ca 0.42 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.28 1u6g h LEU 611 Cb 0.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1u6g h LEU 611 CO -0.84 0.00 -0.40 1.56 0.09 0.00 0.00 178.44 178.86 1u6g h GLN 612 N 0.00 0.30 -1.51 1.13 1.08 0.65 -2.94 115.11 113.83 1u6g h GLN 612 Ca 0.13 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1u6g h GLN 612 Cb 0.98 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1u6g h GLN 612 CO -0.00 0.66 0.00 0.66 -0.95 0.00 0.00 178.83 179.19 1u6g n TYR 613 N -4.04 0.00 -0.30 2.96 4.01 0.66 -2.62 117.16 117.83 1u6g n TYR 613 Ca -0.01 -0.32 0.06 0.00 -0.16 0.00 0.00 57.90 57.46 1u6g n TYR 613 Cb 0.48 -0.21 0.17 0.00 -0.31 0.00 0.00 39.34 39.47 1u6g n TYR 613 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1u6g n ASN 614 N 0.85 3.10 0.00 7.72 5.03 -1.11 -4.80 115.26 126.05 1u6g n ASN 614 Ca 0.00 -2.16 0.00 0.00 0.87 0.00 0.00 54.58 53.29 1u6g n ASN 614 Cb 0.29 -0.28 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1u6g n ASN 614 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1u6g n THR 615 N 0.38 0.03 -2.93 3.41 -2.24 -1.08 -5.13 114.28 106.72 1u6g n THR 615 Ca 0.13 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1u6g n THR 615 Cb 0.50 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1u6g n THR 615 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u6g n GLU 616 N -2.54 2.68 -0.00 -0.78 1.02 -1.26 -5.11 120.64 114.65 1u6g n GLU 616 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1u6g n GLU 616 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1u6g n GLU 616 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1u6g n ASP 617 N -0.82 4.82 -4.76 1.62 -0.08 -1.26 -4.71 116.55 111.36 1u6g n ASP 617 Ca 0.00 -0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 1u6g n ASP 617 Cb 0.00 0.43 -0.05 0.00 2.34 0.00 0.00 41.12 43.83 1u6g n ASP 617 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u6g s ALA 618 N -2.00 3.44 -0.19 -1.67 0.00 -1.26 -0.96 121.76 119.11 1u6g s ALA 618 Ca -0.00 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.37 1u6g s ALA 618 Cb 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 22.05 1u6g s ALA 618 CO 0.01 0.28 0.47 0.71 0.00 0.00 0.00 175.76 177.22 1u6g s TYR 619 N -2.15 -0.66 0.57 0.00 4.12 0.60 -4.95 117.35 114.88 1u6g s TYR 619 Ca 0.32 1.42 -0.18 0.00 0.02 0.00 0.00 57.07 58.65 1u6g s TYR 619 Cb -0.08 0.31 -0.05 0.00 -1.52 0.00 0.00 41.96 40.63 1u6g s TYR 619 CO 0.23 -0.36 1.09 0.95 0.02 0.00 0.00 175.55 177.48 1u6g s THR 620 N 1.24 3.44 0.51 -0.71 -4.23 -1.26 -0.38 115.64 114.25 1u6g s THR 620 Ca -0.08 0.80 0.28 0.00 -1.18 0.00 0.00 61.69 61.51 1u6g s THR 620 Cb -0.07 -3.30 0.45 0.00 1.34 0.00 0.00 72.50 70.92 1u6g s THR 620 CO -0.12 -0.28 1.91 0.58 -0.54 0.00 0.00 174.62 176.17 1u6g h VAL 621 N 0.88 0.61 0.15 2.29 2.07 -0.98 0.83 116.25 122.11 1u6g h VAL 621 Ca -0.49 -0.03 -0.30 0.00 0.82 0.00 0.00 66.70 66.70 1u6g h VAL 621 Cb 1.24 0.53 0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1u6g h VAL 621 CO 0.57 0.01 -1.30 -0.61 0.02 0.00 0.00 177.57 176.26 1u6g h GLN 622 N 0.08 0.56 -0.04 1.57 5.75 -1.78 -2.26 115.11 118.99 1u6g h GLN 622 Ca 0.40 -0.81 0.01 0.00 -0.15 0.00 0.00 58.65 58.10 1u6g h GLN 622 Cb 1.47 0.28 -0.00 0.00 1.07 0.00 0.00 27.48 30.29 1u6g h GLN 622 CO -0.04 1.37 0.21 1.96 -2.65 0.00 0.00 178.83 179.68 1u6g h GLN 623 N 0.22 0.00 0.00 1.69 4.20 -1.14 -2.41 115.11 117.68 1u6g h GLN 623 Ca -0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 1u6g h GLN 623 Cb 1.98 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1u6g h GLN 623 CO 0.24 0.00 -0.85 1.28 -0.67 0.00 0.00 178.83 178.84 1u6g n LEU 624 N -3.09 1.86 0.14 1.46 4.32 -1.00 -3.27 117.00 117.42 1u6g n LEU 624 Ca -0.02 0.51 0.03 0.00 -0.02 0.00 0.00 56.01 56.51 1u6g n LEU 624 Cb 0.28 -0.84 0.18 0.00 -1.62 0.00 0.00 43.42 41.42 1u6g n LEU 624 CO 0.18 -0.28 0.74 0.41 -1.22 0.00 0.00 177.39 177.21 1u6g n THR 625 N -4.53 0.39 -0.12 -5.08 -1.04 -0.85 0.62 114.28 103.67 1u6g n THR 625 Ca -0.14 0.71 -0.25 0.00 -2.04 0.00 0.00 64.05 62.33 1u6g n THR 625 Cb 0.42 -1.71 -0.11 0.00 -1.82 0.00 0.00 70.33 67.11 1u6g n THR 625 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1u6g n ASP 626 N -1.82 1.93 0.30 8.00 8.00 -0.93 -3.92 116.55 128.11 1u6g n ASP 626 Ca -0.00 0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 1u6g n ASP 626 Cb 0.48 -0.86 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 1u6g n ASP 626 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1u6g h SER 627 N -0.89 -0.65 0.81 -2.24 4.64 0.20 -3.12 113.55 112.31 1u6g h SER 627 Ca -0.54 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1u6g h SER 627 Cb 1.53 0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1u6g h SER 627 CO -0.29 -0.40 0.00 0.35 -0.87 0.00 0.00 176.83 175.61 1u6g n THR 628 N -4.42 0.76 -1.18 2.95 -2.24 -0.82 -4.82 114.28 104.51 1u6g n THR 628 Ca -0.10 0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1u6g n THR 628 Cb 0.30 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.53 1u6g n THR 628 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u6g n GLN 629 N -1.98 -1.70 -2.83 -0.78 1.13 -1.18 -1.61 117.38 108.42 1u6g n GLN 629 Ca 0.03 0.73 -0.42 0.00 -1.94 0.00 0.00 57.00 55.40 1u6g n GLN 629 Cb 0.26 -4.99 -0.04 0.00 0.11 0.00 0.00 30.24 25.57 1u6g n GLN 629 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1u6g s ILE 630 N -1.66 4.70 0.08 5.09 1.01 -1.26 -4.38 121.20 124.77 1u6g s ILE 630 Ca 0.00 1.40 -0.25 0.00 0.00 0.00 0.00 60.65 61.79 1u6g s ILE 630 Cb 0.00 -4.24 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 1u6g s ILE 630 CO 0.00 -0.32 0.59 1.17 0.00 0.00 0.00 174.94 176.38 1u6g n LYS 631 N 6.43 0.00 -0.04 2.79 4.81 -1.26 -4.39 118.16 126.50 1u6g n LYS 631 Ca 0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.36 1u6g n LYS 631 Cb 0.48 -0.93 -0.09 0.00 0.02 0.00 0.00 35.03 34.50 1u6g n LYS 631 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1u6g h MET 632 N 1.47 0.29 -0.81 1.64 2.86 -1.94 12.38 114.93 130.82 1u6g h MET 632 Ca -0.29 -0.21 0.33 0.00 -2.06 0.00 0.00 59.70 57.47 1u6g h MET 632 Cb 1.08 0.04 -0.14 0.00 0.06 0.00 0.00 31.60 32.64 1u6g h MET 632 CO 0.46 0.84 0.45 -0.25 1.06 0.00 0.00 176.91 179.47 1u6g n ASP 633 N -4.50 0.26 -0.09 1.22 9.92 -1.26 0.15 116.55 122.25 1u6g n ASP 633 Ca -0.08 1.28 -0.13 0.00 -0.53 0.00 0.00 54.79 55.33 1u6g n ASP 633 Cb 0.45 -0.62 -0.08 0.00 -0.64 0.00 0.00 41.12 40.23 1u6g n ASP 633 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u6g n ILE 634 N -4.72 1.00 -0.09 0.53 0.13 -0.92 -4.46 119.36 110.82 1u6g n ILE 634 Ca 0.30 -0.36 0.26 0.00 -1.10 0.00 0.00 62.75 61.85 1u6g n ILE 634 Cb 1.03 -1.20 0.72 0.00 -0.84 0.00 0.00 39.64 39.35 1u6g n ILE 634 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 1u6g h LEU 635 N -0.09 0.00 -0.01 9.51 7.12 2.95 0.12 115.31 134.91 1u6g h LEU 635 Ca -0.40 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.61 1u6g h LEU 635 Cb 1.57 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.70 1u6g h LEU 635 CO -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 178.44 178.21 1u6g h ALA 636 N 1.48 0.02 -0.80 1.25 0.00 -0.46 -2.93 119.26 117.82 1u6g h ALA 636 Ca 0.35 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1u6g h ALA 636 Cb 1.57 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 1u6g h ALA 636 CO -0.00 -0.23 0.38 1.96 0.00 0.00 0.00 179.25 181.36 1u6g h GLN 637 N -0.44 0.54 0.06 0.00 4.20 -0.97 -1.87 115.11 116.63 1u6g h GLN 637 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1u6g h GLN 637 Cb 0.50 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1u6g h GLN 637 CO 0.00 0.36 -0.03 0.28 -0.67 0.00 0.00 178.83 178.77 1u6g h VAL 638 N 0.56 0.99 -0.78 -0.54 2.07 -1.51 -2.66 116.25 114.39 1u6g h VAL 638 Ca 0.44 -0.18 0.16 0.00 0.82 0.00 0.00 66.70 67.93 1u6g h VAL 638 Cb 0.62 1.11 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 1u6g h VAL 638 CO -0.37 0.05 0.28 -0.07 0.02 0.00 0.00 177.57 177.48 1u6g h LEU 639 N -0.16 0.21 -1.45 2.57 3.38 -1.18 0.20 115.31 118.87 1u6g h LEU 639 Ca -0.01 0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1u6g h LEU 639 Cb 0.14 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1u6g h LEU 639 CO 0.01 0.05 0.49 -0.61 0.09 0.00 0.00 178.44 178.47 1u6g h GLN 640 N 0.39 0.58 -0.01 1.13 4.15 -1.02 0.33 115.11 120.65 1u6g h GLN 640 Ca 0.44 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 1u6g h GLN 640 Cb 0.72 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1u6g h GLN 640 CO -0.46 0.38 -0.03 0.82 -1.93 0.00 0.00 178.83 177.61 1u6g h ILE 641 N 0.60 1.46 -0.20 2.39 1.08 -0.50 -1.12 117.51 121.22 1u6g h ILE 641 Ca 0.35 -1.42 0.06 0.00 -0.39 0.00 0.00 64.86 63.46 1u6g h ILE 641 Cb 0.57 2.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 1u6g h ILE 641 CO -0.13 0.38 0.19 -0.07 -0.69 0.00 0.00 178.15 177.83 1u6g h LEU 642 N -0.53 0.00 0.00 1.44 4.07 0.19 0.76 115.31 121.24 1u6g h LEU 642 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1u6g h LEU 642 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1u6g h LEU 642 CO 0.01 0.00 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.15 1u6g h LEU 643 N 0.00 0.00 -1.79 1.67 3.38 -0.32 -2.85 115.31 115.39 1u6g h LEU 643 Ca 0.09 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.29 1u6g h LEU 643 Cb 0.48 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 1u6g h LEU 643 CO -0.00 0.57 0.59 0.50 0.09 0.00 0.00 178.44 180.19 1u6g h LYS 644 N -0.98 0.17 -0.09 1.13 3.64 -0.86 0.70 116.57 120.27 1u6g h LYS 644 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1u6g h LYS 644 Cb 0.15 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1u6g h LYS 644 CO 0.00 0.11 -0.00 0.66 -2.27 0.00 0.00 179.45 177.95 1u6g h SER 645 N 0.17 0.15 0.00 4.20 4.64 0.43 -3.49 113.55 119.66 1u6g h SER 645 Ca 0.42 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1u6g h SER 645 Cb 1.40 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1u6g h SER 645 CO -0.08 0.44 0.00 1.17 -0.87 0.00 0.00 176.83 177.49 1u6g n LYS 646 N -4.82 0.00 0.00 4.77 4.81 0.24 -5.01 118.16 118.14 1u6g n LYS 646 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1u6g n LYS 646 Cb 0.20 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.25 1u6g n LYS 646 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1u6g n LEU 647 N 0.00 0.00 -4.07 3.14 4.32 -1.09 -4.94 117.00 114.36 1u6g n LEU 647 Ca 0.00 -0.08 -0.14 0.00 -0.02 0.00 0.00 56.01 55.77 1u6g n LEU 647 Cb 0.00 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 1u6g n LEU 647 CO 0.00 0.00 -0.41 -0.76 -1.22 0.00 0.00 177.39 175.00 1u6g s LEU 648 N -0.35 2.25 0.04 2.23 1.43 -1.14 -1.96 118.68 121.18 1u6g s LEU 648 Ca 0.00 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1u6g s LEU 648 Cb 0.00 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.99 1u6g s LEU 648 CO 0.00 -0.18 -0.06 -0.69 0.23 0.00 0.00 176.35 175.65 1u6g s VAL 649 N -1.31 0.44 0.00 -1.59 1.01 -0.73 -4.47 120.40 113.76 1u6g s VAL 649 Ca -0.09 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1u6g s VAL 649 Cb -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1u6g s VAL 649 CO 0.01 -0.51 0.00 0.18 0.00 0.00 0.00 175.10 174.78 1u6g n LEU 650 N 1.23 0.00 0.00 3.92 4.77 -1.26 -1.30 117.00 124.35 1u6g n LEU 650 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1u6g n LEU 650 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1u6g n LEU 650 CO 0.22 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.66 1u6g n GLU 651 N 0.00 0.00 -0.25 3.23 4.71 -1.26 -3.77 120.64 123.30 1u6g n GLU 651 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1u6g n GLU 651 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.45 1u6g n GLU 651 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1u6g n ASP 652 N -1.64 -1.03 -0.05 1.62 5.75 -1.26 -5.01 116.55 114.93 1u6g n ASP 652 Ca 0.00 -0.05 -0.08 0.00 -0.01 0.00 0.00 54.79 54.65 1u6g n ASP 652 Cb 0.00 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 39.85 1u6g n ASP 652 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1u6g n GLU 653 N 0.47 0.38 -1.67 0.11 4.07 -1.26 -4.98 120.64 117.74 1u6g n GLU 653 Ca 0.01 0.15 -0.53 0.00 -0.06 0.00 0.00 57.16 56.73 1u6g n GLU 653 Cb 0.03 -1.15 -0.06 0.00 -0.06 0.00 0.00 31.44 30.20 1u6g n GLU 653 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1u6g n ASN 654 N -4.14 2.53 -4.39 4.31 6.94 -1.26 -4.90 115.26 114.35 1u6g n ASN 654 Ca -0.13 1.06 -0.45 0.00 -0.02 0.00 0.00 54.58 55.04 1u6g n ASN 654 Cb 0.41 -1.23 -0.01 0.00 -2.36 0.00 0.00 39.78 36.60 1u6g n ASN 654 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u6g s ALA 655 N 2.74 4.29 -0.36 -2.53 0.00 -1.26 -4.71 121.76 119.94 1u6g s ALA 655 Ca 0.92 -3.52 0.09 0.00 0.00 0.00 0.00 51.96 49.45 1u6g s ALA 655 Cb -0.92 -3.79 0.66 0.00 0.00 0.00 0.00 23.12 19.07 1u6g s ALA 655 CO 0.56 -2.47 1.67 0.09 0.00 0.00 0.00 175.76 175.61 1u6g n ASN 656 N 4.20 4.55 -0.36 0.00 3.02 -1.26 -4.54 115.26 120.87 1u6g n ASN 656 Ca 0.27 -3.05 0.08 0.00 -0.03 0.00 0.00 54.58 51.85 1u6g n ASN 656 Cb 0.42 -0.72 0.26 0.00 -0.61 0.00 0.00 39.78 39.14 1u6g n ASN 656 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1u6g h VAL 657 N 2.44 0.88 -1.30 2.41 2.07 -1.99 -2.67 116.25 118.09 1u6g h VAL 657 Ca 0.22 -0.32 0.38 0.00 0.82 0.00 0.00 66.70 67.80 1u6g h VAL 657 Cb 2.13 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1u6g h VAL 657 CO 0.65 0.17 1.08 -0.78 0.02 0.00 0.00 177.57 178.70 1u6g h ASP 658 N 0.94 0.00 -2.28 0.57 1.82 -1.94 -3.08 116.42 112.45 1u6g h ASP 658 Ca 0.51 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.62 1u6g h ASP 658 Cb 0.58 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.23 1u6g h ASP 658 CO -0.28 0.00 -0.88 -1.61 -1.61 0.00 0.00 179.24 174.85 1u6g s GLU 659 N -4.75 0.79 0.37 0.28 2.02 -1.01 -5.13 118.70 111.28 1u6g s GLU 659 Ca -0.04 -1.71 0.05 0.00 0.02 0.00 0.00 54.97 53.29 1u6g s GLU 659 Cb 0.21 -1.22 -0.06 0.00 0.10 0.00 0.00 34.13 33.16 1u6g s GLU 659 CO 0.71 -1.32 0.04 0.08 0.02 0.00 0.00 175.26 174.79 1u6g s VAL 660 N 0.52 1.47 -0.71 2.63 1.01 -1.17 -5.02 120.40 119.14 1u6g s VAL 660 Ca 0.27 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.28 1u6g s VAL 660 Cb -0.05 -2.81 0.35 0.00 0.00 0.00 0.00 36.38 33.86 1u6g s VAL 660 CO -0.12 0.00 1.34 1.21 0.00 0.00 0.00 175.10 177.53 1u6g n GLU 661 N -0.84 3.82 -1.52 2.72 4.07 -1.26 -5.03 120.64 122.60 1u6g n GLU 661 Ca -0.04 -4.59 -0.40 0.00 -0.06 0.00 0.00 57.16 52.06 1u6g n GLU 661 Cb 0.67 -2.31 -0.08 0.00 -0.06 0.00 0.00 31.44 29.66 1u6g n GLU 661 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1u6g n LEU 662 N -0.27 1.55 -4.95 4.31 4.32 -1.26 -4.93 117.00 115.76 1u6g n LEU 662 Ca 0.39 -0.14 -0.23 0.00 -0.02 0.00 0.00 56.01 56.01 1u6g n LEU 662 Cb 0.39 -1.30 -0.00 0.00 -1.62 0.00 0.00 43.42 40.88 1u6g n LEU 662 CO 0.41 -1.16 0.21 -0.54 -1.22 0.00 0.00 177.39 175.09 1u6g s LYS 663 N 8.30 3.32 0.33 3.23 1.02 -1.26 -4.97 119.74 129.71 1u6g s LYS 663 Ca 1.14 -0.43 0.12 0.00 0.02 0.00 0.00 55.97 56.81 1u6g s LYS 663 Cb -0.66 -2.63 1.03 0.00 -0.52 0.00 0.00 37.83 35.04 1u6g s LYS 663 CO 0.37 -0.00 1.62 -1.35 -0.92 0.00 0.00 175.35 175.07 1u6g h PRO 664 N 0.63 0.13 -0.06 -1.68 0.11 -1.93 0.33 132.00 129.54 1u6g h PRO 664 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u6g h PRO 664 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u6g h PRO 664 CO 0.59 0.09 0.04 -0.44 -0.21 0.00 0.00 178.00 178.07 1u6g h ASP 665 N 0.14 0.07 -1.46 -2.05 3.32 -1.97 -2.78 116.42 111.69 1u6g h ASP 665 Ca 0.71 -0.02 -0.63 0.00 0.02 0.00 0.00 57.03 57.11 1u6g h ASP 665 Cb 1.66 -0.02 0.14 0.00 0.22 0.00 0.00 39.33 41.33 1u6g h ASP 665 CO -0.73 0.07 -0.81 0.35 -1.72 0.00 0.00 179.24 176.39 1u6g n THR 666 N -5.04 1.03 -4.00 0.35 -2.24 0.11 -4.54 114.28 99.96 1u6g n THR 666 Ca -0.06 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 1u6g n THR 666 Cb 0.04 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1u6g n THR 666 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u6g s LEU 667 N 3.90 4.09 -0.18 3.22 1.43 -1.26 -1.41 118.68 128.46 1u6g s LEU 667 Ca 0.60 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1u6g s LEU 667 Cb -0.72 -2.57 0.05 0.00 0.03 0.00 0.00 46.19 42.98 1u6g s LEU 667 CO 0.60 0.22 -0.05 -0.63 0.23 0.00 0.00 176.35 176.72 1u6g s ILE 668 N -1.35 1.17 0.07 -0.59 -1.09 0.49 -4.24 121.20 115.65 1u6g s ILE 668 Ca 0.29 -0.75 0.08 0.00 -2.23 0.00 0.00 60.65 58.03 1u6g s ILE 668 Cb -0.12 -1.38 -0.03 0.00 -1.58 0.00 0.00 42.46 39.34 1u6g s ILE 668 CO 0.21 0.06 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.26 1u6g s LYS 669 N 1.60 1.98 0.38 2.79 1.02 -0.42 -0.29 119.74 126.79 1u6g s LYS 669 Ca -0.01 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.67 1u6g s LYS 669 Cb -0.16 -2.16 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 1u6g s LYS 669 CO -0.07 0.52 1.34 -1.17 -0.92 0.00 0.00 175.35 175.05 1u6g s LEU 670 N -1.67 4.28 -0.18 3.17 2.96 -0.13 -1.77 118.68 125.33 1u6g s LEU 670 Ca 0.16 2.75 -0.05 0.00 -0.22 0.00 0.00 54.13 56.77 1u6g s LEU 670 Cb -0.11 -3.80 -0.03 0.00 0.50 0.00 0.00 46.19 42.76 1u6g s LEU 670 CO 0.07 -0.79 -0.01 -0.47 -1.32 0.00 0.00 176.35 173.83 1u6g s TYR 671 N -1.20 3.06 0.02 5.38 6.14 -0.83 -4.83 117.35 125.09 1u6g s TYR 671 Ca 0.54 -0.34 -0.11 0.00 0.64 0.00 0.00 57.07 57.80 1u6g s TYR 671 Cb -0.40 -2.04 -0.05 0.00 0.42 0.00 0.00 41.96 39.88 1u6g s TYR 671 CO 0.53 -0.13 0.35 -0.51 0.64 0.00 0.00 175.55 176.44 1u6g s LEU 672 N 0.71 4.40 0.00 6.97 1.02 -1.26 -4.85 118.68 125.67 1u6g s LEU 672 Ca -0.00 0.78 0.00 0.00 0.02 0.00 0.00 54.13 54.93 1u6g s LEU 672 Cb -0.14 -2.69 0.00 0.00 0.02 0.00 0.00 46.19 43.37 1u6g s LEU 672 CO 0.02 0.26 0.00 0.61 0.02 0.00 0.00 176.35 177.27 1u6g n GLY 673 N 1.37 0.37 1.21 -3.19 0.00 -1.26 -5.06 105.19 98.63 1u6g n GLY 673 Ca -0.12 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 1u6g n GLY 673 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u6g n TYR 674 N 0.00 -1.46 -3.82 1.61 4.19 -1.26 -4.45 117.16 111.98 1u6g n TYR 674 Ca 0.00 0.10 0.00 0.00 3.31 0.00 0.00 57.90 61.32 1u6g n TYR 674 Cb 0.00 -0.61 0.01 0.00 0.49 0.00 0.00 39.34 39.22 1u6g n TYR 674 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1u6g s LYS 675 N -0.53 0.67 0.28 2.98 2.47 -1.26 -5.03 119.74 119.32 1u6g s LYS 675 Ca 0.19 -0.41 -0.28 0.00 -1.56 0.00 0.00 55.97 53.92 1u6g s LYS 675 Cb -0.15 0.20 -0.14 0.00 -1.46 0.00 0.00 37.83 36.28 1u6g s LYS 675 CO 0.28 -0.31 0.91 -1.71 0.16 0.00 0.00 175.35 174.68 1u6g n ASN 676 N -0.84 0.81 0.27 1.43 4.05 -1.26 -4.81 115.26 114.90 1u6g n ASN 676 Ca -0.03 1.16 0.11 0.00 0.45 0.00 0.00 54.58 56.27 1u6g n ASN 676 Cb 0.60 -1.23 0.74 0.00 1.23 0.00 0.00 39.78 41.12 1u6g n ASN 676 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 1u6g h LYS 677 N 1.78 0.00 -7.51 1.20 1.57 -2.02 -3.42 116.57 108.17 1u6g h LYS 677 Ca -0.38 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.92 1u6g h LYS 677 Cb 1.36 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.76 1u6g h LYS 677 CO 0.60 0.06 0.40 0.15 -0.57 0.00 0.00 179.45 180.08 1u6g s LYS 678 N -4.65 2.43 0.00 3.15 1.02 -1.26 -5.01 119.74 115.41 1u6g s LYS 678 Ca -0.04 0.39 0.22 0.00 0.02 0.00 0.00 55.97 56.55 1u6g s LYS 678 Cb 0.15 -1.98 -0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1u6g s LYS 678 CO 0.61 -1.33 1.03 1.28 -0.92 0.00 0.00 175.35 176.03 1u6g n LEU 679 N -3.19 1.82 -3.79 3.17 4.77 -1.26 -4.77 117.00 113.75 1u6g n LEU 679 Ca 0.07 -0.71 -0.30 0.00 -0.03 0.00 0.00 56.01 55.04 1u6g n LEU 679 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1u6g n LEU 679 CO 0.57 0.35 -0.31 -0.60 -1.33 0.00 0.00 177.39 176.08 1u6g s ARG 680 N -2.52 1.04 -0.24 3.23 3.52 -1.26 -2.14 118.95 120.58 1u6g s ARG 680 Ca 0.16 -1.51 -0.10 0.00 -0.13 0.00 0.00 55.73 54.16 1u6g s ARG 680 Cb 0.17 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 31.17 1u6g s ARG 680 CO 0.61 -1.03 0.15 0.08 -0.81 0.00 0.00 175.30 174.30 1u6g s VAL 681 N 1.11 5.22 -0.63 7.11 1.01 -0.94 -4.97 120.40 128.30 1u6g s VAL 681 Ca 0.12 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 1u6g s VAL 681 Cb -0.20 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 32.88 1u6g s VAL 681 CO -0.15 0.34 0.70 0.21 0.00 0.00 0.00 175.10 176.20 1u6g s ASN 682 N 1.13 6.29 0.00 3.32 3.04 -1.26 -1.49 114.94 125.97 1u6g s ASN 682 Ca 0.07 -1.72 0.31 0.00 0.04 0.00 0.00 52.86 51.55 1u6g s ASN 682 Cb -0.14 -2.28 1.59 0.00 -1.54 0.00 0.00 41.25 38.89 1u6g s ASN 682 CO 0.05 -0.98 2.07 2.30 -3.04 0.00 0.00 177.10 177.50 1u6g n ILE 683 N 5.27 0.00 -3.10 -5.21 -5.35 -0.84 -4.73 119.36 105.40 1u6g n ILE 683 Ca -0.05 -0.03 -0.43 0.00 -0.27 0.00 0.00 62.75 61.97 1u6g n ILE 683 Cb 0.43 -0.36 -0.07 0.00 -1.74 0.00 0.00 39.64 37.90 1u6g n ILE 683 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1u6g s ASN 684 N -2.29 6.35 0.04 7.28 2.47 -1.22 -4.87 114.94 122.69 1u6g s ASN 684 Ca 0.37 -0.23 -0.04 0.00 0.42 0.00 0.00 52.86 53.37 1u6g s ASN 684 Cb 0.21 -2.32 -0.02 0.00 -1.45 0.00 0.00 41.25 37.67 1u6g s ASN 684 CO 0.42 -0.75 0.06 0.68 -3.72 0.00 0.00 177.10 173.79 1u6g s VAL 685 N 2.82 0.14 0.21 -5.21 -7.23 -1.26 -5.01 120.40 104.86 1u6g s VAL 685 Ca 0.23 -1.15 -0.32 0.00 -1.81 0.00 0.00 61.98 58.93 1u6g s VAL 685 Cb -0.14 -0.87 -0.14 0.00 0.56 0.00 0.00 36.38 35.79 1u6g s VAL 685 CO 0.18 -0.63 1.45 -2.65 -0.31 0.00 0.00 175.10 173.14 1u6g n PRO 686 N 0.82 2.01 -2.27 4.82 -0.02 -1.26 -4.91 135.00 134.19 1u6g n PRO 686 Ca -0.19 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.62 1u6g n PRO 686 Cb 0.58 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1u6g n PRO 686 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1u6g s MET 687 N 0.02 4.18 0.02 -0.52 -1.94 -1.26 -4.94 119.30 114.86 1u6g s MET 687 Ca 0.72 1.92 -0.11 0.00 -1.71 0.00 0.00 55.69 56.51 1u6g s MET 687 Cb -0.68 -2.82 -0.06 0.00 2.01 0.00 0.00 34.83 33.29 1u6g s MET 687 CO 0.46 -0.24 1.17 -0.22 -0.01 0.00 0.00 175.02 176.18 1u6g h LYS 688 N 2.92 -0.36 0.00 2.03 3.11 -1.95 -2.42 116.57 119.90 1u6g h LYS 688 Ca -0.49 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1u6g h LYS 688 Cb 1.23 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.54 1u6g h LYS 688 CO 0.64 -0.24 0.30 0.00 -2.81 0.00 0.00 179.45 177.34 1u6g h THR 689 N -0.37 0.00 -0.58 1.00 1.03 -2.01 -2.79 112.91 109.20 1u6g h THR 689 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 66.41 66.45 1u6g h THR 689 Cb 0.29 0.65 -0.10 0.00 -1.07 0.00 0.00 68.15 67.92 1u6g h THR 689 CO 0.04 0.00 -0.47 -0.08 -0.01 0.00 0.00 175.52 174.99 1u6g h GLU 690 N 0.00 -0.24 0.55 0.00 4.81 -1.81 0.91 114.58 118.81 1u6g h GLU 690 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1u6g h GLU 690 Cb 0.59 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1u6g h GLU 690 CO 0.00 -0.16 -0.32 1.96 -0.73 0.00 0.00 179.01 179.76 1u6g h GLN 691 N -0.25 -0.80 -0.65 1.92 4.20 -1.63 -0.56 115.11 117.35 1u6g h GLN 691 Ca 0.16 0.05 0.19 0.00 0.06 0.00 0.00 58.65 59.11 1u6g h GLN 691 Cb 0.56 0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1u6g h GLN 691 CO -0.69 -0.53 0.50 -0.22 -0.67 0.00 0.00 178.83 177.22 1u6g h LYS 692 N -0.83 0.00 0.06 1.46 1.63 -1.63 0.21 116.57 117.47 1u6g h LYS 692 Ca -0.07 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.47 1u6g h LYS 692 Cb 0.67 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1u6g h LYS 692 CO 0.08 0.00 -1.07 0.37 -3.45 0.00 0.00 179.45 175.38 1u6g h GLN 693 N 0.00 0.62 -0.37 1.90 5.75 -0.21 -2.95 115.11 119.84 1u6g h GLN 693 Ca 0.31 -0.74 -0.06 0.00 -0.15 0.00 0.00 58.65 58.00 1u6g h GLN 693 Cb 1.30 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 30.07 1u6g h GLN 693 CO -0.00 1.32 -0.01 0.93 -2.65 0.00 0.00 178.83 178.42 1u6g h GLU 694 N 0.24 0.67 0.00 1.69 5.08 0.88 -2.79 114.58 120.36 1u6g h GLU 694 Ca -0.15 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1u6g h GLU 694 Cb 1.74 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1u6g h GLU 694 CO 0.21 0.77 0.00 1.04 -1.00 0.00 0.00 179.01 180.03 1u6g n GLN 695 N -4.47 0.00 -0.48 2.33 6.02 0.24 -1.09 117.38 119.93 1u6g n GLN 695 Ca -0.01 0.50 0.39 0.00 -0.01 0.00 0.00 57.00 57.87 1u6g n GLN 695 Cb 0.29 -1.30 0.68 0.00 1.02 0.00 0.00 30.24 30.93 1u6g n GLN 695 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1u6g h GLU 696 N 0.00 0.07 0.06 -1.09 4.81 -1.62 0.24 114.58 117.06 1u6g h GLU 696 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1u6g h GLU 696 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1u6g h GLU 696 CO 0.00 0.05 -0.03 1.15 -0.73 0.00 0.00 179.01 179.45 1u6g h THR 697 N 0.08 1.21 0.00 0.32 2.02 -1.13 -1.59 112.91 113.82 1u6g h THR 697 Ca 0.81 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1u6g h THR 697 Cb 2.73 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 70.99 1u6g h THR 697 CO -0.30 0.25 -0.11 0.71 0.37 0.00 0.00 175.52 176.43 1u6g h THR 698 N -0.54 0.73 0.37 3.16 1.35 0.11 0.11 112.91 118.20 1u6g h THR 698 Ca -0.01 -0.44 -0.02 0.00 -0.55 0.00 0.00 66.41 65.39 1u6g h THR 698 Cb 0.47 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1u6g h THR 698 CO 0.01 0.11 -0.18 0.45 -0.25 0.00 0.00 175.52 175.66 1u6g h HIS 699 N 0.00 -0.47 -0.93 4.73 -0.00 -1.34 -0.03 115.15 117.12 1u6g h HIS 699 Ca -0.00 -0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.54 1u6g h HIS 699 Cb 0.26 0.15 -0.17 0.00 -0.00 0.00 0.00 27.41 27.65 1u6g h HIS 699 CO 0.00 -0.15 -0.25 0.87 -0.00 0.00 0.00 177.93 178.40 1u6g h LYS 700 N -0.98 -0.01 -0.22 2.45 1.57 -0.27 0.70 116.57 119.82 1u6g h LYS 700 Ca -0.05 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1u6g h LYS 700 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1u6g h LYS 700 CO 0.08 -0.00 -0.10 -0.97 -0.57 0.00 0.00 179.45 177.89 1u6g h ASN 701 N -0.01 -0.35 -0.52 0.86 -0.00 -0.71 -0.91 115.58 113.95 1u6g h ASN 701 Ca 0.43 0.08 0.06 0.00 -0.00 0.00 0.00 56.30 56.87 1u6g h ASN 701 Cb 0.67 0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 39.15 1u6g h ASN 701 CO -0.95 -0.13 0.35 0.40 -0.00 0.00 0.00 177.43 177.09 1u6g h ILE 702 N -0.08 0.98 -0.66 2.57 2.04 0.23 -0.77 117.51 121.82 1u6g h ILE 702 Ca 0.12 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1u6g h ILE 702 Cb 0.25 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1u6g h ILE 702 CO -0.27 0.08 0.41 -0.08 0.00 0.00 0.00 178.15 178.30 1u6g h GLU 703 N 0.46 0.79 0.64 2.37 4.57 0.48 -1.69 114.58 122.20 1u6g h GLU 703 Ca 0.22 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1u6g h GLU 703 Cb 0.29 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1u6g h GLU 703 CO -0.06 0.52 -0.31 1.49 -1.18 0.00 0.00 179.01 179.47 1u6g h GLU 704 N 0.81 -0.83 -1.01 1.92 4.57 -0.80 -3.14 114.58 116.11 1u6g h GLU 704 Ca 0.27 0.06 0.25 0.00 -1.18 0.00 0.00 59.36 58.75 1u6g h GLU 704 Cb 0.01 0.19 -0.12 0.00 -0.16 0.00 0.00 28.75 28.67 1u6g h GLU 704 CO -0.10 -0.51 0.61 -0.44 -1.18 0.00 0.00 179.01 177.38 1u6g h ASP 705 N -1.11 0.65 -0.08 1.04 3.32 -1.29 -1.11 116.42 117.84 1u6g h ASP 705 Ca -0.09 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1u6g h ASP 705 Cb 0.70 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.23 1u6g h ASP 705 CO 0.14 0.10 -0.21 0.03 -1.72 0.00 0.00 179.24 177.58 1u6g h ARG 706 N 0.56 -0.29 -0.51 3.56 -0.00 -1.26 1.01 114.38 117.45 1u6g h ARG 706 Ca 0.64 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 60.12 1u6g h ARG 706 Cb 1.26 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 31.27 1u6g h ARG 706 CO -0.45 -0.19 0.23 0.87 0.00 0.00 0.00 179.97 180.42 1u6g h LYS 707 N -0.30 0.75 -0.59 0.04 1.57 -1.21 0.34 116.57 117.17 1u6g h LYS 707 Ca 0.09 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1u6g h LYS 707 Cb 0.42 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1u6g h LYS 707 CO -0.25 0.64 0.31 -0.07 -0.57 0.00 0.00 179.45 179.51 1u6g h LEU 708 N 0.68 0.73 -0.32 2.94 3.38 -0.82 -0.90 115.31 121.00 1u6g h LEU 708 Ca 0.17 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1u6g h LEU 708 Cb 0.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1u6g h LEU 708 CO -0.02 0.60 -0.53 -0.07 0.09 0.00 0.00 178.44 178.52 1u6g h LEU 709 N 0.83 0.97 0.69 1.67 3.38 0.18 -2.67 115.31 120.37 1u6g h LEU 709 Ca 0.21 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1u6g h LEU 709 Cb 0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1u6g h LEU 709 CO -0.03 1.31 -0.44 0.40 0.09 0.00 0.00 178.44 179.77 1u6g h ILE 710 N 0.68 0.12 -0.67 1.22 2.04 0.45 -2.49 117.51 118.85 1u6g h ILE 710 Ca 0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.01 1u6g h ILE 710 Cb 1.13 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.24 1u6g h ILE 710 CO 0.12 0.00 0.19 1.56 0.00 0.00 0.00 178.15 180.02 1u6g h GLN 711 N -1.07 0.32 -1.00 2.37 4.20 -1.25 0.30 115.11 118.98 1u6g h GLN 711 Ca -0.09 -0.02 0.23 0.00 0.06 0.00 0.00 58.65 58.83 1u6g h GLN 711 Cb 0.87 -0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.48 1u6g h GLN 711 CO 0.08 0.21 0.63 0.00 -0.67 0.00 0.00 178.83 179.08 1u6g h ALA 712 N 1.52 2.03 0.10 3.87 0.00 -1.22 0.37 119.26 125.93 1u6g h ALA 712 Ca 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1u6g h ALA 712 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1u6g h ALA 712 CO -0.42 -0.42 -0.05 0.00 0.00 0.00 0.00 179.25 178.37 1u6g h ALA 713 N 1.64 -0.14 -0.81 0.00 0.00 -0.10 -2.48 119.26 117.36 1u6g h ALA 713 Ca 0.57 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.36 1u6g h ALA 713 Cb 1.26 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 1u6g h ALA 713 CO -0.32 -0.19 -0.39 0.82 0.00 0.00 0.00 179.25 179.16 1u6g h ILE 714 N -0.91 0.06 0.00 0.00 1.08 0.11 -1.34 117.51 116.52 1u6g h ILE 714 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1u6g h ILE 714 Cb 0.54 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1u6g h ILE 714 CO 0.02 0.00 0.00 0.52 -0.69 0.00 0.00 178.15 178.00 1u6g n VAL 715 N -5.44 0.00 0.02 1.67 0.31 0.11 -1.14 118.33 113.86 1u6g n VAL 715 Ca 0.06 1.45 0.22 0.00 -0.01 0.00 0.00 64.34 66.07 1u6g n VAL 715 Cb 0.37 -2.32 0.63 0.00 -0.91 0.00 0.00 33.84 31.61 1u6g n VAL 715 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 1u6g h ARG 716 N 0.00 0.00 0.03 5.55 0.11 -1.25 0.29 114.38 119.11 1u6g h ARG 716 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1u6g h ARG 716 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1u6g h ARG 716 CO 0.00 0.00 -0.02 0.82 0.10 0.00 0.00 179.97 180.87 1u6g h ILE 717 N 0.00 1.37 0.00 0.08 2.04 -0.82 -3.13 117.51 117.04 1u6g h ILE 717 Ca 0.27 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.41 1u6g h ILE 717 Cb 1.69 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 1u6g h ILE 717 CO -0.00 0.41 0.00 0.23 0.00 0.00 0.00 178.15 178.79 1u6g n MET 718 N -4.74 0.16 0.12 2.37 2.81 0.28 -1.62 117.12 116.51 1u6g n MET 718 Ca -0.08 0.42 0.12 0.00 -1.81 0.00 0.00 57.70 56.35 1u6g n MET 718 Cb 0.35 -1.83 0.25 0.00 -0.71 0.00 0.00 33.22 31.28 1u6g n MET 718 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1u6g h LYS 719 N 0.00 0.00 0.00 0.03 3.64 -0.59 -3.32 116.57 116.32 1u6g h LYS 719 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u6g h LYS 719 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1u6g h LYS 719 CO 0.00 0.00 -0.06 -0.12 -2.27 0.00 0.00 179.45 177.00 1u6g n MET 720 N -2.47 1.34 -3.98 1.90 1.56 -0.64 -4.89 117.12 109.95 1u6g n MET 720 Ca 0.04 -2.19 -0.08 0.00 -0.27 0.00 0.00 57.70 55.20 1u6g n MET 720 Cb 0.47 -1.29 -0.09 0.00 2.15 0.00 0.00 33.22 34.46 1u6g n MET 720 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1u6g s ARG 721 N -2.21 0.73 -0.04 2.12 1.81 -1.06 -5.07 118.95 115.24 1u6g s ARG 721 Ca 0.23 -1.10 0.09 0.00 -1.72 0.00 0.00 55.73 53.23 1u6g s ARG 721 Cb 0.20 0.28 -0.13 0.00 -0.45 0.00 0.00 34.95 34.85 1u6g s ARG 721 CO 0.02 -0.19 0.14 1.63 -0.68 0.00 0.00 175.30 176.22 1u6g n LYS 722 N 0.02 1.15 -3.82 3.54 5.02 -1.26 -4.64 118.16 118.18 1u6g n LYS 722 Ca -0.14 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 55.97 1u6g n LYS 722 Cb 0.62 -1.22 -0.11 0.00 -0.02 0.00 0.00 35.03 34.30 1u6g n LYS 722 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1u6g s VAL 723 N -2.48 0.03 0.11 -0.18 1.01 -1.26 -0.82 120.40 116.81 1u6g s VAL 723 Ca -0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 1u6g s VAL 723 Cb 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.07 1u6g s VAL 723 CO 0.37 -0.13 0.30 -0.76 0.00 0.00 0.00 175.10 174.88 1u6g s LEU 724 N -0.44 0.91 -0.01 3.92 1.43 -0.81 -4.99 118.68 118.69 1u6g s LEU 724 Ca -0.05 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1u6g s LEU 724 Cb -0.04 1.43 -0.04 0.00 0.03 0.00 0.00 46.19 47.57 1u6g s LEU 724 CO 0.01 -0.80 0.23 -0.54 0.23 0.00 0.00 176.35 175.47 1u6g s LYS 725 N -3.84 3.52 0.03 1.70 1.02 -1.26 -0.35 119.74 120.56 1u6g s LYS 725 Ca 0.05 -0.17 -0.07 0.00 0.02 0.00 0.00 55.97 55.81 1u6g s LYS 725 Cb 0.03 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1u6g s LYS 725 CO -0.10 0.67 0.58 1.58 -0.92 0.00 0.00 175.35 177.15 1u6g n HIS 726 N 1.12 -0.10 0.10 3.18 -0.00 -0.78 0.50 115.22 119.25 1u6g n HIS 726 Ca -0.12 0.27 -0.13 0.00 -0.00 0.00 0.00 57.72 57.74 1u6g n HIS 726 Cb 0.53 -0.38 -0.06 0.00 -0.00 0.00 0.00 29.99 30.08 1u6g n HIS 726 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1u6g h GLN 727 N 0.00 -0.53 -0.77 1.57 7.50 -1.95 -1.29 115.11 119.64 1u6g h GLN 727 Ca 0.03 0.04 0.08 0.00 0.50 0.00 0.00 58.65 59.30 1u6g h GLN 727 Cb 0.09 0.12 -0.10 0.00 0.05 0.00 0.00 27.48 27.64 1u6g h GLN 727 CO -0.21 -0.36 -0.42 1.04 -1.50 0.00 0.00 178.83 177.39 1u6g n GLN 728 N -5.43 -0.31 0.03 1.46 1.13 0.18 -0.67 117.38 113.77 1u6g n GLN 728 Ca -0.06 1.16 -0.12 0.00 -1.94 0.00 0.00 57.00 56.04 1u6g n GLN 728 Cb 0.34 -1.71 -0.07 0.00 0.11 0.00 0.00 30.24 28.92 1u6g n GLN 728 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1u6g h LEU 729 N 0.00 -0.02 -1.04 1.08 5.85 -0.78 -2.59 115.31 117.81 1u6g h LEU 729 Ca 0.15 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1u6g h LEU 729 Cb 0.34 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 1u6g h LEU 729 CO -0.73 -0.01 0.62 -0.07 -0.34 0.00 0.00 178.44 177.92 1u6g h LEU 730 N 0.00 0.87 -0.38 2.25 3.38 0.26 0.30 115.31 121.99 1u6g h LEU 730 Ca 0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1u6g h LEU 730 Cb 0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1u6g h LEU 730 CO -0.02 0.43 0.17 1.23 0.09 0.00 0.00 178.44 180.34 1u6g h GLY 731 N 0.91 0.60 0.68 0.83 0.00 -0.86 -2.17 103.07 103.07 1u6g h GLY 731 Ca 0.51 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1u6g h GLY 731 CO -0.28 0.30 -0.47 0.83 0.00 0.00 0.00 176.54 176.92 1u6g h GLU 732 N 0.47 -1.05 -0.93 4.80 4.39 -0.77 -1.51 114.58 119.98 1u6g h GLU 732 Ca 0.13 0.07 0.25 0.00 0.34 0.00 0.00 59.36 60.15 1u6g h GLU 732 Cb 0.15 0.24 -0.17 0.00 -0.10 0.00 0.00 28.75 28.87 1u6g h GLU 732 CO -0.01 -0.70 0.05 0.28 -1.16 0.00 0.00 179.01 177.46 1u6g h VAL 733 N -1.09 0.12 0.82 3.13 2.07 -0.92 -0.56 116.25 119.81 1u6g h VAL 733 Ca -0.09 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1u6g h VAL 733 Cb 0.89 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1u6g h VAL 733 CO 0.06 0.01 -0.39 -0.07 0.02 0.00 0.00 177.57 177.20 1u6g h LEU 734 N 0.05 -0.93 -0.92 2.57 3.38 -1.16 -1.93 115.31 116.37 1u6g h LEU 734 Ca 0.56 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.75 1u6g h LEU 734 Cb 1.12 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.94 1u6g h LEU 734 CO -0.84 -0.59 -0.20 0.41 0.09 0.00 0.00 178.44 177.31 1u6g n THR 735 N -5.40 -0.38 0.26 0.22 -1.04 -0.27 0.31 114.28 107.98 1u6g n THR 735 Ca -0.14 2.09 -0.10 0.00 -2.04 0.00 0.00 64.05 63.86 1u6g n THR 735 Cb 0.43 -2.91 -0.05 0.00 -1.82 0.00 0.00 70.33 65.99 1u6g n THR 735 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1u6g h GLN 736 N 0.00 -0.65 0.00 -2.82 4.20 -1.40 -3.24 115.11 111.20 1u6g h GLN 736 Ca 0.45 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.21 1u6g h GLN 736 Cb 0.73 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1u6g h GLN 736 CO -0.93 -0.43 0.00 1.28 -0.67 0.00 0.00 178.83 178.07 1u6g n LEU 737 N -4.37 0.54 -0.22 1.46 4.32 -0.45 -3.69 117.00 114.58 1u6g n LEU 737 Ca -0.08 0.74 0.02 0.00 -0.02 0.00 0.00 56.01 56.66 1u6g n LEU 737 Cb 0.27 -0.78 0.12 0.00 -1.62 0.00 0.00 43.42 41.40 1u6g n LEU 737 CO 0.20 -0.88 0.83 0.77 -1.22 0.00 0.00 177.39 177.09 1u6g h SER 738 N 0.00 -0.31 0.03 -1.43 4.64 -0.17 0.10 113.55 116.40 1u6g h SER 738 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1u6g h SER 738 Cb 0.05 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1u6g h SER 738 CO 0.00 -0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.28 1u6g n SER 739 N -5.31 0.26 -0.06 4.97 3.41 -1.24 -3.10 113.62 112.56 1u6g n SER 739 Ca 0.11 0.62 -0.12 0.00 -0.26 0.00 0.00 58.87 59.22 1u6g n SER 739 Cb 0.39 -0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1u6g n SER 739 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u6g n ARG 740 N -1.85 0.26 -3.74 4.33 5.12 -0.30 -4.84 116.66 115.65 1u6g n ARG 740 Ca -0.01 0.10 -0.02 0.00 -1.93 0.00 0.00 57.85 55.99 1u6g n ARG 740 Cb 0.02 -1.00 -0.01 0.00 -1.16 0.00 0.00 32.46 30.31 1u6g n ARG 740 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1u6g s PHE 741 N -2.22 -0.09 -0.76 -1.55 -0.12 -0.13 -1.45 117.98 111.65 1u6g s PHE 741 Ca -0.17 -0.18 -0.08 0.00 -0.05 0.00 0.00 56.93 56.46 1u6g s PHE 741 Cb 0.06 0.63 0.20 0.00 -0.63 0.00 0.00 43.02 43.27 1u6g s PHE 741 CO 0.22 -0.73 0.64 0.21 -0.05 0.00 0.00 175.22 175.52 1u6g s LYS 742 N -3.02 3.15 -0.22 1.99 2.36 -1.26 -3.58 119.74 119.16 1u6g s LYS 742 Ca 0.14 -2.61 -0.36 0.00 -2.55 0.00 0.00 55.97 50.59 1u6g s LYS 742 Cb -0.00 -4.09 -0.13 0.00 -1.05 0.00 0.00 37.83 32.56 1u6g s LYS 742 CO 0.01 -1.24 1.93 -2.30 1.55 0.00 0.00 175.35 175.31 1u6g n PRO 743 N 3.55 1.56 -1.72 4.03 -0.02 -1.26 -4.88 135.00 136.25 1u6g n PRO 743 Ca 0.12 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 1u6g n PRO 743 Cb 0.42 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1u6g n PRO 743 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1u6g n ARG 744 N 6.72 2.70 -0.24 -0.52 0.63 -1.26 -4.88 116.66 119.81 1u6g n ARG 744 Ca 0.29 0.97 0.03 0.00 -0.92 0.00 0.00 57.85 58.22 1u6g n ARG 744 Cb 0.23 -2.80 0.16 0.00 0.45 0.00 0.00 32.46 30.49 1u6g n ARG 744 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1u6g h VAL 745 N 3.72 0.74 -0.20 5.15 2.07 -2.01 -1.52 116.25 124.20 1u6g h VAL 745 Ca -0.44 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 66.97 1u6g h VAL 745 Cb 1.21 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1u6g h VAL 745 CO 0.93 0.09 0.19 -0.65 0.02 0.00 0.00 177.57 178.15 1u6g h PRO 746 N 0.49 0.00 0.07 1.57 0.11 -2.00 -1.68 132.00 130.55 1u6g h PRO 746 Ca 0.38 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.21 1u6g h PRO 746 Cb 0.50 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.64 1u6g h PRO 746 CO -0.34 0.00 -1.14 0.28 -0.21 0.00 0.00 178.00 176.58 1u6g h VAL 747 N 0.00 1.30 -0.07 3.15 2.07 -1.65 -1.72 116.25 119.34 1u6g h VAL 747 Ca 0.10 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.13 1u6g h VAL 747 Cb 0.48 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1u6g h VAL 747 CO -0.00 0.74 -0.31 0.40 0.02 0.00 0.00 177.57 178.41 1u6g h ILE 748 N 0.30 1.25 0.38 4.57 2.04 -1.21 -1.11 117.51 123.73 1u6g h ILE 748 Ca -0.15 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 1u6g h ILE 748 Cb 1.81 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1u6g h ILE 748 CO 0.22 0.35 -0.18 0.50 0.00 0.00 0.00 178.15 179.03 1u6g h LYS 749 N 0.12 -0.49 0.00 2.37 1.63 -1.32 0.14 116.57 119.01 1u6g h LYS 749 Ca 0.02 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1u6g h LYS 749 Cb 0.61 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1u6g h LYS 749 CO 0.04 -0.18 0.05 1.17 -3.45 0.00 0.00 179.45 177.08 1u6g n LYS 750 N -5.19 0.08 -0.09 1.90 4.81 -0.65 -0.87 118.16 118.15 1u6g n LYS 750 Ca -0.10 0.57 -0.17 0.00 -0.87 0.00 0.00 58.31 57.73 1u6g n LYS 750 Cb 0.28 -1.83 -0.10 0.00 0.02 0.00 0.00 35.03 33.40 1u6g n LYS 750 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1u6g h ILE 752 N -1.00 0.79 0.09 0.00 2.04 0.83 -1.92 117.51 118.34 1u6g h ILE 752 Ca -0.25 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1u6g h ILE 752 Cb 1.10 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1u6g h ILE 752 CO -0.15 0.10 -0.06 0.44 0.00 0.00 0.00 178.15 178.48 1u6g h ASP 753 N 0.55 -0.15 -1.42 1.72 3.32 -1.13 -2.48 116.42 116.83 1u6g h ASP 753 Ca 0.43 0.01 0.42 0.00 0.02 0.00 0.00 57.03 57.90 1u6g h ASP 753 Cb 0.84 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.36 1u6g h ASP 753 CO -0.17 -0.09 1.00 0.40 -1.72 0.00 0.00 179.24 178.66 1u6g h ILE 754 N -0.14 0.26 0.00 0.35 2.04 -1.35 1.57 117.51 120.25 1u6g h ILE 754 Ca -0.01 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 1u6g h ILE 754 Cb 0.11 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1u6g h ILE 754 CO 0.01 0.01 -0.47 -0.07 0.00 0.00 0.00 178.15 177.63 1u6g h LEU 755 N 0.05 0.00 -0.61 1.44 3.38 -1.14 0.91 115.31 119.34 1u6g h LEU 755 Ca 0.71 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.53 1u6g h LEU 755 Cb 2.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.41 1u6g h LEU 755 CO -0.10 0.47 -0.58 0.40 0.09 0.00 0.00 178.44 178.72 1u6g h ILE 756 N 0.00 1.36 -0.17 1.22 1.08 0.27 -0.68 117.51 120.59 1u6g h ILE 756 Ca -0.00 -1.89 -0.18 0.00 -0.39 0.00 0.00 64.86 62.39 1u6g h ILE 756 Cb 0.87 1.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1u6g h ILE 756 CO 0.06 0.57 -0.65 -0.08 -0.69 0.00 0.00 178.15 177.37 1u6g h GLU 757 N 0.27 0.63 -0.05 2.37 4.81 -0.89 -2.74 114.58 118.99 1u6g h GLU 757 Ca -0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1u6g h GLU 757 Cb 1.09 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1u6g h GLU 757 CO 0.10 1.07 0.00 1.63 -0.73 0.00 0.00 179.01 181.07 1u6g n LYS 758 N -3.93 1.12 -3.82 1.92 5.02 0.27 -4.92 118.16 113.82 1u6g n LYS 758 Ca -0.05 -0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 55.79 1u6g n LYS 758 Cb 0.67 -1.11 0.03 0.00 -0.02 0.00 0.00 35.03 34.60 1u6g n LYS 758 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u6g n GLU 759 N -0.40 -5.12 -0.01 1.97 1.02 -0.95 -4.89 120.64 112.25 1u6g n GLU 759 Ca 0.05 0.60 0.09 0.00 -0.02 0.00 0.00 57.16 57.87 1u6g n GLU 759 Cb 0.06 -5.29 -0.13 0.00 -0.02 0.00 0.00 31.44 26.06 1u6g n GLU 759 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1u6g n TYR 760 N -4.49 0.00 -4.04 -0.32 4.02 -0.30 -4.81 117.16 107.23 1u6g n TYR 760 Ca -0.13 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.68 1u6g n TYR 760 Cb 0.60 -0.37 -0.10 0.00 -0.02 0.00 0.00 39.34 39.45 1u6g n TYR 760 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1u6g s LEU 761 N -4.12 2.28 -0.07 7.72 1.43 -1.20 -1.81 118.68 122.91 1u6g s LEU 761 Ca -0.06 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.10 1u6g s LEU 761 Cb 0.11 0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.66 1u6g s LEU 761 CO 0.71 -0.56 0.24 -1.83 0.23 0.00 0.00 176.35 175.14 1u6g s GLU 762 N -3.44 0.36 0.72 1.70 -1.05 -0.81 -4.33 118.70 111.84 1u6g s GLU 762 Ca 0.02 0.17 -0.14 0.00 -0.15 0.00 0.00 54.97 54.87 1u6g s GLU 762 Cb 0.04 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.93 1u6g s GLU 762 CO -0.08 -0.06 1.16 1.03 0.95 0.00 0.00 175.26 178.25 1u6g s ARG 763 N -0.25 2.33 -0.76 -4.83 0.52 -1.26 -1.26 118.95 113.43 1u6g s ARG 763 Ca -0.04 1.57 -0.18 0.00 -0.52 0.00 0.00 55.73 56.56 1u6g s ARG 763 Cb -0.03 -1.88 0.14 0.00 0.52 0.00 0.00 34.95 33.70 1u6g s ARG 763 CO 0.01 -1.65 0.87 0.08 0.02 0.00 0.00 175.30 174.63 1u6g s VAL 764 N -2.22 4.96 0.16 3.52 1.01 -0.55 -4.74 120.40 122.55 1u6g s VAL 764 Ca 0.70 -1.52 -0.32 0.00 0.00 0.00 0.00 61.98 60.85 1u6g s VAL 764 Cb -0.25 -4.59 -0.17 0.00 0.00 0.00 0.00 36.38 31.37 1u6g s VAL 764 CO 0.45 -1.24 0.83 -0.90 0.00 0.00 0.00 175.10 174.24 1u6g n ASP 765 N 5.88 -0.16 0.00 3.32 5.75 -1.26 -0.19 116.55 129.90 1u6g n ASP 765 Ca 0.07 1.14 0.00 0.00 -0.01 0.00 0.00 54.79 56.00 1u6g n ASP 765 Cb 0.46 -1.04 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1u6g n ASP 765 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u6g n GLY 766 N 1.80 0.39 2.67 6.12 0.00 -1.26 -4.94 105.19 109.96 1u6g n GLY 766 Ca 0.17 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 1u6g n GLY 766 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u6g s GLU 767 N -2.18 0.14 0.72 1.61 2.56 0.74 -5.16 118.70 117.13 1u6g s GLU 767 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.97 54.69 1u6g s GLU 767 Cb 0.00 -0.01 0.03 0.00 2.00 0.00 0.00 34.13 36.16 1u6g s GLU 767 CO 0.00 -0.17 1.15 0.15 -0.56 0.00 0.00 175.26 175.83 1u6g s LYS 768 N 1.04 2.33 -1.09 4.30 1.02 -1.26 -3.33 119.74 122.75 1u6g s LYS 768 Ca 0.23 1.55 -0.03 0.00 0.02 0.00 0.00 55.97 57.73 1u6g s LYS 768 Cb 0.13 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.57 1u6g s LYS 768 CO -0.11 -1.64 0.45 -0.25 -0.92 0.00 0.00 175.35 172.88 1u6g n ASP 769 N -2.77 -4.81 -3.73 2.83 8.00 -1.26 -4.99 116.55 109.83 1u6g n ASP 769 Ca 0.12 -0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 1u6g n ASP 769 Cb 0.51 -3.65 -0.12 0.00 -0.02 0.00 0.00 41.12 37.84 1u6g n ASP 769 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u6g s THR 770 N -3.00 -0.02 0.13 -3.53 2.01 -1.21 -1.86 115.64 108.15 1u6g s THR 770 Ca 0.22 0.09 0.11 0.00 0.31 0.00 0.00 61.69 62.42 1u6g s THR 770 Cb -0.10 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1u6g s THR 770 CO 0.28 0.04 -0.27 -0.31 -0.69 0.00 0.00 174.62 173.67 1u6g s TYR 771 N 1.01 2.31 0.04 4.92 1.51 0.53 -1.48 117.35 126.19 1u6g s TYR 771 Ca -0.07 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.69 1u6g s TYR 771 Cb -0.08 -1.26 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1u6g s TYR 771 CO -0.08 0.33 -0.22 0.45 -1.11 0.00 0.00 175.55 174.92 1u6g s SER 772 N -2.01 2.60 0.03 2.29 0.15 -0.39 -1.92 113.70 114.45 1u6g s SER 772 Ca 0.14 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 55.96 1u6g s SER 772 Cb -0.10 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.94 1u6g s SER 772 CO 0.06 0.18 1.10 -0.47 1.20 0.00 0.00 173.24 175.31 1u6g s TYR 773 N -0.79 3.53 -0.44 3.44 6.04 -0.01 -1.93 117.35 127.20 1u6g s TYR 773 Ca 0.08 1.47 -0.14 0.00 0.04 0.00 0.00 57.07 58.53 1u6g s TYR 773 Cb -0.09 -3.29 0.05 0.00 -1.04 0.00 0.00 41.96 37.60 1u6g s TYR 773 CO 0.02 -0.72 0.33 -0.51 -1.54 0.00 0.00 175.55 173.13 1u6g s LEU 774 N 1.09 5.32 0.00 6.97 1.43 -0.75 -4.94 118.68 127.80 1u6g s LEU 774 Ca 0.56 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1u6g s LEU 774 Cb -0.25 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1u6g s LEU 774 CO 0.28 -0.55 0.40 0.00 0.23 0.00 0.00 176.35 176.71