#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n20 s ARG 55 N 0.00 2.46 1.05 6.28 1.81 -1.26 -5.04 118.95 124.24 1n20 s ARG 55 Ca 0.00 -0.82 -0.12 0.00 -1.72 0.00 0.00 55.73 53.07 1n20 s ARG 55 Cb 0.00 -2.44 0.22 0.00 -0.45 0.00 0.00 34.95 32.28 1n20 s ARG 55 CO 0.00 -0.32 1.07 1.03 -0.68 0.00 0.00 175.30 176.40 1n20 s ARG 56 N 1.35 -0.02 -0.01 3.54 3.00 -1.25 -5.05 118.95 120.51 1n20 s ARG 56 Ca 0.02 0.93 -0.06 0.00 0.00 0.00 0.00 55.73 56.62 1n20 s ARG 56 Cb -0.15 -1.65 0.00 0.00 0.00 0.00 0.00 34.95 33.15 1n20 s ARG 56 CO -0.10 -3.15 0.11 0.45 0.00 0.00 0.00 175.30 172.61 1n20 s SER 57 N -2.82 0.03 0.00 0.23 0.15 -1.26 -4.62 113.70 105.40 1n20 s SER 57 Ca 0.67 -0.15 0.24 0.00 0.70 0.00 0.00 55.95 57.41 1n20 s SER 57 Cb -0.23 0.20 0.33 0.00 -1.71 0.00 0.00 66.02 64.62 1n20 s SER 57 CO 0.61 -0.29 1.30 0.61 1.20 0.00 0.00 173.24 176.67 1n20 n GLY 58 N 1.81 -0.66 3.70 9.45 0.00 -1.26 -4.89 105.19 113.34 1n20 n GLY 58 Ca -0.21 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1n20 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n20 n ASN 59 N -0.83 -2.99 -4.78 1.61 5.15 -1.26 -4.93 115.26 107.22 1n20 n ASN 59 Ca 0.08 -0.92 -0.39 0.00 -0.60 0.00 0.00 54.58 52.75 1n20 n ASN 59 Cb 0.37 -3.71 -0.06 0.00 -0.53 0.00 0.00 39.78 35.85 1n20 n ASN 59 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1n20 s TYR 60 N -3.63 3.82 0.21 1.20 4.12 -1.26 -4.97 117.35 116.84 1n20 s TYR 60 Ca 0.22 1.43 -0.20 0.00 0.02 0.00 0.00 57.07 58.53 1n20 s TYR 60 Cb -0.07 -2.65 -0.08 0.00 -1.52 0.00 0.00 41.96 37.64 1n20 s TYR 60 CO 0.84 0.49 0.71 -0.65 0.02 0.00 0.00 175.55 176.97 1n20 s GLN 61 N -0.88 4.26 1.05 -0.62 -1.52 -1.26 -5.05 119.66 115.64 1n20 s GLN 61 Ca 0.33 0.87 -0.11 0.00 -1.95 0.00 0.00 55.36 54.50 1n20 s GLN 61 Cb -0.21 -2.93 0.22 0.00 -0.22 0.00 0.00 33.01 29.87 1n20 s GLN 61 CO 0.22 0.42 1.08 -1.25 -0.25 0.00 0.00 175.29 175.51 1n20 s PRO 62 N -1.87 -0.00 0.34 2.91 0.04 -1.26 -4.77 135.00 130.39 1n20 s PRO 62 Ca 0.42 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1n20 s PRO 62 Cb -0.17 -1.64 -0.12 0.00 0.04 0.00 0.00 34.50 32.62 1n20 s PRO 62 CO 0.21 -3.20 1.47 0.00 0.04 0.00 0.00 177.00 175.52 1n20 n ALA 63 N -4.59 2.12 -0.04 8.56 0.00 -1.26 -4.94 120.51 120.37 1n20 n ALA 63 Ca 0.07 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1n20 n ALA 63 Cb 0.53 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.51 1n20 n ALA 63 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1n20 h LEU 64 N 3.41 0.21 -8.38 0.00 3.38 -1.91 -3.41 115.31 108.61 1n20 h LEU 64 Ca -0.48 -0.50 -0.68 0.00 0.09 0.00 0.00 57.88 56.30 1n20 h LEU 64 Cb 1.25 -0.06 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 1n20 h LEU 64 CO 0.68 0.66 -0.59 0.26 0.09 0.00 0.00 178.44 179.54 1n20 s TRP 65 N -4.23 3.19 0.85 1.13 0.51 -1.26 -5.09 118.94 114.04 1n20 s TRP 65 Ca -0.15 -0.98 -0.08 0.00 -2.12 0.00 0.00 56.10 52.77 1n20 s TRP 65 Cb 0.03 -2.31 0.18 0.00 -0.81 0.00 0.00 33.47 30.57 1n20 s TRP 65 CO 0.72 -0.59 1.17 0.16 -0.51 0.00 0.00 176.95 177.90 1n20 s ASP 66 N 1.51 3.61 0.26 2.95 1.47 -1.26 -4.86 116.67 120.34 1n20 s ASP 66 Ca 0.02 -0.17 -0.02 0.00 1.18 0.00 0.00 52.55 53.56 1n20 s ASP 66 Cb -0.18 0.02 0.47 0.00 -0.34 0.00 0.00 42.92 42.90 1n20 s ASP 66 CO 0.04 -2.38 1.79 -1.28 0.68 0.00 0.00 175.17 174.01 1n20 h SER 67 N -1.12 0.61 0.22 2.11 0.87 -1.98 -2.10 113.55 112.16 1n20 h SER 67 Ca -0.39 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1n20 h SER 67 Cb 1.24 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1n20 h SER 67 CO 0.36 0.31 -0.10 0.78 -0.53 0.00 0.00 176.83 177.64 1n20 h ASN 68 N 0.71 -0.25 -0.14 6.23 2.35 -1.99 -1.15 115.58 121.34 1n20 h ASN 68 Ca 0.44 -0.04 0.05 0.00 -0.55 0.00 0.00 56.30 56.19 1n20 h ASN 68 Cb 0.52 0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 1n20 h ASN 68 CO -0.31 -0.12 -0.28 0.22 -1.65 0.00 0.00 177.43 175.29 1n20 h TYR 69 N -0.36 -0.77 -0.44 1.19 3.20 -1.83 0.13 116.97 118.08 1n20 h TYR 69 Ca -0.03 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1n20 h TYR 69 Cb 0.28 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1n20 h TYR 69 CO -0.04 -0.36 0.22 0.82 -1.64 0.00 0.00 178.16 177.15 1n20 h ILE 70 N -0.35 0.96 -0.93 1.81 2.04 -1.31 -2.40 117.51 117.33 1n20 h ILE 70 Ca 0.10 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1n20 h ILE 70 Cb 0.51 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1n20 h ILE 70 CO -0.34 0.08 0.57 1.56 0.00 0.00 0.00 178.15 180.02 1n20 h GLN 71 N 0.43 1.26 -0.49 2.37 4.20 -0.68 -2.58 115.11 119.62 1n20 h GLN 71 Ca 0.19 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1n20 h GLN 71 Cb 0.11 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.62 1n20 h GLN 71 CO -0.14 0.87 0.00 -1.13 -0.67 0.00 0.00 178.83 177.76 1n20 n SER 72 N -4.38 1.27 -4.74 1.46 3.41 -0.01 -4.88 113.62 105.75 1n20 n SER 72 Ca 0.10 -2.08 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 1n20 n SER 72 Cb 0.05 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.68 1n20 n SER 72 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n20 s LEU 73 N -0.79 4.43 -0.02 1.04 1.43 -0.97 -5.01 118.68 118.78 1n20 s LEU 73 Ca 0.10 2.42 -0.00 0.00 -1.03 0.00 0.00 54.13 55.62 1n20 s LEU 73 Cb 0.06 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.69 1n20 s LEU 73 CO 0.05 -0.50 0.03 0.21 0.23 0.00 0.00 176.35 176.37 1n20 s ASN 74 N 0.16 0.05 -0.07 2.29 2.47 -1.26 -5.10 114.94 113.48 1n20 s ASN 74 Ca 0.55 0.05 -0.07 0.00 0.42 0.00 0.00 52.86 53.80 1n20 s ASN 74 Cb -0.36 -0.04 0.02 0.00 -1.45 0.00 0.00 41.25 39.41 1n20 s ASN 74 CO 0.40 -0.11 0.20 0.28 -3.72 0.00 0.00 177.10 174.15 1n20 s THR 75 N 0.87 0.01 -2.13 -5.21 -1.32 -1.26 -5.05 115.64 101.55 1n20 s THR 75 Ca -0.07 -0.10 0.22 0.00 -1.21 0.00 0.00 61.69 60.53 1n20 s THR 75 Cb -0.10 -0.32 0.57 0.00 -1.51 0.00 0.00 72.50 71.14 1n20 s THR 75 CO -0.03 -0.05 1.75 -0.81 -2.21 0.00 0.00 174.62 173.27 1n20 n PRO 76 N 2.73 1.28 -1.42 7.08 -0.04 -1.26 -4.59 135.00 138.78 1n20 n PRO 76 Ca -0.14 -0.41 -0.26 0.00 -0.04 0.00 0.00 63.50 62.65 1n20 n PRO 76 Cb 0.58 -1.37 -0.08 0.00 -0.04 0.00 0.00 33.50 32.59 1n20 n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1n20 n TYR 77 N -0.41 1.37 -0.65 0.54 4.02 -1.26 -3.63 117.16 117.15 1n20 n TYR 77 Ca 0.17 -2.05 0.00 0.00 -0.01 0.00 0.00 57.90 56.01 1n20 n TYR 77 Cb 0.18 -1.60 0.00 0.00 -0.02 0.00 0.00 39.34 37.89 1n20 n TYR 77 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1n20 n THR 78 N 1.68 0.25 -3.17 -0.72 5.66 -1.26 -4.61 114.28 112.11 1n20 n THR 78 Ca 0.52 -0.30 -0.34 0.00 -3.05 0.00 0.00 64.05 60.87 1n20 n THR 78 Cb 0.58 1.06 -0.06 0.00 -1.55 0.00 0.00 70.33 70.36 1n20 n THR 78 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1n20 s GLU 79 N -0.25 4.10 0.21 1.09 2.02 -1.24 -5.01 118.70 119.62 1n20 s GLU 79 Ca 0.00 0.71 -0.10 0.00 0.02 0.00 0.00 54.97 55.60 1n20 s GLU 79 Cb 0.00 -2.72 0.28 0.00 0.10 0.00 0.00 34.13 31.79 1n20 s GLU 79 CO 0.00 0.32 1.69 0.93 0.02 0.00 0.00 175.26 178.22 1n20 h GLU 80 N 2.99 0.20 -0.95 1.61 5.08 -1.98 -1.73 114.58 119.81 1n20 h GLU 80 Ca -0.48 -0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.14 1n20 h GLU 80 Cb 1.19 -0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.25 1n20 h GLU 80 CO 0.66 0.14 0.44 -0.09 -1.00 0.00 0.00 179.01 179.15 1n20 h ARG 81 N 0.21 0.30 -0.18 2.33 2.43 -1.99 0.48 114.38 117.96 1n20 h ARG 81 Ca 0.31 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.32 1n20 h ARG 81 Cb 0.47 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1n20 h ARG 81 CO -0.43 0.20 -0.47 0.45 -1.51 0.00 0.00 179.97 178.21 1n20 h HIS 82 N 0.31 0.57 -0.13 2.20 3.86 -1.71 -2.78 115.15 117.47 1n20 h HIS 82 Ca 0.65 -0.18 -0.14 0.00 -1.16 0.00 0.00 60.37 59.54 1n20 h HIS 82 Cb 1.38 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1n20 h HIS 82 CO -0.11 0.86 -0.51 -0.07 0.86 0.00 0.00 177.93 178.95 1n20 h LEU 83 N 0.38 0.38 0.18 2.43 3.38 -0.03 -2.32 115.31 119.72 1n20 h LEU 83 Ca 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1n20 h LEU 83 Cb 0.97 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1n20 h LEU 83 CO 0.09 0.83 -0.09 0.44 0.09 0.00 0.00 178.44 179.80 1n20 h ASP 84 N 0.28 -0.21 -0.86 -0.43 3.32 -0.85 -2.39 116.42 115.27 1n20 h ASP 84 Ca 0.01 -0.25 0.09 0.00 0.02 0.00 0.00 57.03 56.90 1n20 h ASP 84 Cb 1.00 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1n20 h ASP 84 CO 0.09 0.16 0.51 -0.09 -1.72 0.00 0.00 179.24 178.18 1n20 h ARG 85 N -0.61 0.85 -0.42 3.56 9.65 -1.52 -0.40 114.38 125.48 1n20 h ARG 85 Ca -0.03 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.87 1n20 h ARG 85 Cb 0.45 -0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 1n20 h ARG 85 CO 0.04 0.56 0.08 -0.22 2.80 0.00 0.00 179.97 183.23 1n20 h LYS 86 N 0.87 0.20 -0.80 0.20 3.64 -1.34 0.14 116.57 119.49 1n20 h LYS 86 Ca 0.40 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1n20 h LYS 86 Cb 0.32 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 1n20 h LYS 86 CO -0.23 0.13 0.43 0.00 -2.27 0.00 0.00 179.45 177.52 1n20 h ALA 87 N 1.32 1.02 -0.47 5.00 0.00 -0.60 -0.74 119.26 124.79 1n20 h ALA 87 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1n20 h ALA 87 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1n20 h ALA 87 CO -0.27 0.54 0.15 0.93 0.00 0.00 0.00 179.25 180.60 1n20 h GLU 88 N 1.11 0.73 -0.87 0.00 5.08 -0.27 -2.32 114.58 118.05 1n20 h GLU 88 Ca 0.28 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1n20 h GLU 88 Cb 0.04 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1n20 h GLU 88 CO -0.04 0.69 0.46 -0.07 -1.00 0.00 0.00 179.01 179.05 1n20 h LEU 89 N 0.63 1.09 -1.38 1.33 3.38 -0.28 -0.95 115.31 119.13 1n20 h LEU 89 Ca 0.15 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1n20 h LEU 89 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1n20 h LEU 89 CO -0.01 0.88 -0.30 0.40 0.09 0.00 0.00 178.44 179.51 1n20 h ILE 90 N 1.22 1.22 -0.03 1.22 2.04 -0.98 0.13 117.51 122.33 1n20 h ILE 90 Ca 0.30 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1n20 h ILE 90 Cb 0.05 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1n20 h ILE 90 CO -0.05 0.30 -0.02 0.58 0.00 0.00 0.00 178.15 178.97 1n20 h VAL 91 N 0.01 1.33 -0.32 1.67 2.07 -0.69 -2.02 116.25 118.30 1n20 h VAL 91 Ca -0.00 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1n20 h VAL 91 Cb 0.54 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1n20 h VAL 91 CO 0.04 0.27 0.11 1.56 0.02 0.00 0.00 177.57 179.57 1n20 h GLN 92 N -0.33 0.48 0.00 1.57 1.08 -0.86 -2.89 115.11 114.16 1n20 h GLN 92 Ca 0.01 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1n20 h GLN 92 Cb 0.45 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1n20 h GLN 92 CO 0.00 0.50 -0.24 0.28 -0.95 0.00 0.00 178.83 178.43 1n20 h VAL 93 N 0.36 0.92 -0.36 -0.54 2.07 -0.80 -2.30 116.25 115.59 1n20 h VAL 93 Ca 0.10 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1n20 h VAL 93 Cb 0.21 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1n20 h VAL 93 CO -0.01 0.24 0.04 -0.09 0.02 0.00 0.00 177.57 177.77 1n20 h ARG 94 N 0.00 0.61 -0.22 1.57 2.43 -1.16 -1.92 114.38 115.69 1n20 h ARG 94 Ca -0.00 -0.17 0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1n20 h ARG 94 Cb 0.51 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1n20 h ARG 94 CO 0.03 0.69 -0.33 0.82 -1.51 0.00 0.00 179.97 179.67 1n20 h ILE 95 N 0.44 0.26 -0.54 1.20 2.04 -1.26 -1.28 117.51 118.37 1n20 h ILE 95 Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1n20 h ILE 95 Cb 0.38 0.26 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1n20 h ILE 95 CO 0.01 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.15 1n20 h LEU 96 N -0.35 -0.11 -2.12 1.44 3.38 -1.32 -0.01 115.31 116.21 1n20 h LEU 96 Ca 0.12 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1n20 h LEU 96 Cb 0.55 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1n20 h LEU 96 CO -0.41 -0.03 -0.05 0.25 0.09 0.00 0.00 178.44 178.28 1n20 h LEU 97 N 0.18 0.00 -3.78 1.67 5.85 -0.52 -2.89 115.31 115.83 1n20 h LEU 97 Ca 0.28 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.70 1n20 h LEU 97 Cb 0.42 0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.27 1n20 h LEU 97 CO -0.41 0.05 0.35 0.29 -0.34 0.00 0.00 178.44 178.39 1n20 n LYS 98 N -4.07 3.18 -3.96 1.25 5.02 -0.03 -4.98 118.16 114.57 1n20 n LYS 98 Ca -0.03 -3.07 -0.30 0.00 -2.02 0.00 0.00 58.31 52.89 1n20 n LYS 98 Cb 0.14 -2.18 -0.04 0.00 -0.02 0.00 0.00 35.03 32.93 1n20 n LYS 98 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1n20 s GLU 99 N -3.10 3.30 -0.00 1.97 2.02 -1.09 -5.02 118.70 116.77 1n20 s GLU 99 Ca 0.55 -0.54 -0.34 0.00 0.02 0.00 0.00 54.97 54.65 1n20 s GLU 99 Cb 0.45 -2.94 -0.13 0.00 0.10 0.00 0.00 34.13 31.61 1n20 s GLU 99 CO 0.12 0.58 1.75 1.63 0.02 0.00 0.00 175.26 179.35 1n20 n LYS 100 N 0.15 2.08 -3.71 1.61 4.76 -1.26 -4.91 118.16 116.88 1n20 n LYS 100 Ca -0.06 0.76 -0.14 0.00 -2.87 0.00 0.00 58.31 56.00 1n20 n LYS 100 Cb 0.52 -2.56 -0.08 0.00 -1.84 0.00 0.00 35.03 31.07 1n20 n LYS 100 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1n20 s MET 101 N 2.79 0.80 0.27 1.97 1.75 -1.26 -5.14 119.30 120.48 1n20 s MET 101 Ca 0.88 -0.22 -0.29 0.00 -1.25 0.00 0.00 55.69 54.81 1n20 s MET 101 Cb -0.71 0.36 -0.09 0.00 2.84 0.00 0.00 34.83 37.22 1n20 s MET 101 CO 0.47 -0.24 1.17 -1.21 -0.65 0.00 0.00 175.02 174.56 1n20 s GLU 102 N -1.74 4.55 0.22 4.11 0.41 -1.26 -4.83 118.70 120.15 1n20 s GLU 102 Ca -0.10 1.91 -0.15 0.00 -0.41 0.00 0.00 54.97 56.22 1n20 s GLU 102 Cb -0.03 -3.17 0.25 0.00 -1.78 0.00 0.00 34.13 29.40 1n20 s GLU 102 CO 0.02 0.06 1.43 -2.30 -0.49 0.00 0.00 175.26 173.99 1n20 n PRO 103 N 1.39 -0.20 0.08 0.39 -0.02 -1.26 0.44 135.00 135.81 1n20 n PRO 103 Ca 0.00 1.42 0.09 0.00 -2.02 0.00 0.00 63.50 63.00 1n20 n PRO 103 Cb 0.44 -2.12 0.55 0.00 -0.02 0.00 0.00 33.50 32.35 1n20 n PRO 103 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1n20 h VAL 104 N 0.00 0.98 -0.09 -1.45 3.04 -1.98 -0.05 116.25 116.70 1n20 h VAL 104 Ca 0.34 -0.09 -0.18 0.00 -1.01 0.00 0.00 66.70 65.76 1n20 h VAL 104 Cb 0.57 0.70 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1n20 h VAL 104 CO -0.92 0.05 -0.70 1.56 -1.01 0.00 0.00 177.57 176.54 1n20 h GLN 105 N 0.26 0.41 0.10 4.17 4.20 -0.38 -1.95 115.11 121.92 1n20 h GLN 105 Ca 0.14 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1n20 h GLN 105 Cb 0.22 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1n20 h GLN 105 CO -0.03 0.96 -0.05 1.96 -0.67 0.00 0.00 178.83 181.01 1n20 h GLN 106 N 0.29 -0.12 -0.88 1.46 4.20 -0.00 -1.18 115.11 118.88 1n20 h GLN 106 Ca -0.03 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.79 1n20 h GLN 106 Cb 1.27 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 29.02 1n20 h GLN 106 CO 0.12 0.05 0.57 -0.07 -0.67 0.00 0.00 178.83 178.83 1n20 h LEU 107 N -0.28 0.79 -0.63 1.46 3.38 -1.08 0.19 115.31 119.15 1n20 h LEU 107 Ca -0.01 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1n20 h LEU 107 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1n20 h LEU 107 CO 0.02 0.47 -0.37 -0.33 0.09 0.00 0.00 178.44 178.33 1n20 h GLU 108 N 0.88 0.66 -0.34 1.13 5.08 -1.07 -1.43 114.58 119.49 1n20 h GLU 108 Ca 0.40 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1n20 h GLU 108 Cb 0.39 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1n20 h GLU 108 CO -0.17 0.93 -0.18 1.25 -1.00 0.00 0.00 179.01 179.84 1n20 h LEU 109 N 0.55 0.76 -0.52 1.33 5.85 0.05 -1.06 115.31 122.27 1n20 h LEU 109 Ca 0.05 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1n20 h LEU 109 Cb 0.89 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1n20 h LEU 109 CO 0.08 1.00 0.35 0.40 -0.34 0.00 0.00 178.44 179.93 1n20 h ILE 110 N 0.51 1.14 -0.58 4.05 2.04 -0.91 -0.93 117.51 122.83 1n20 h ILE 110 Ca 0.07 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1n20 h ILE 110 Cb 0.73 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1n20 h ILE 110 CO 0.05 0.13 0.18 -0.74 0.00 0.00 0.00 178.15 177.77 1n20 h HIS 111 N 0.71 0.89 -0.16 1.37 2.76 -1.14 -0.93 115.15 118.66 1n20 h HIS 111 Ca 0.19 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1n20 h HIS 111 Cb -0.08 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 1n20 h HIS 111 CO -0.04 0.73 0.07 -0.44 -1.30 0.00 0.00 177.93 176.95 1n20 h ASP 112 N 0.85 0.22 -0.94 3.26 3.32 -0.51 -2.35 116.42 120.26 1n20 h ASP 112 Ca 0.19 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1n20 h ASP 112 Cb 0.25 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1n20 h ASP 112 CO -0.01 0.31 0.62 -0.07 -1.72 0.00 0.00 179.24 178.37 1n20 h LEU 113 N 0.11 1.08 0.24 1.55 3.38 -0.90 -2.34 115.31 118.43 1n20 h LEU 113 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1n20 h LEU 113 Cb 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1n20 h LEU 113 CO -0.01 0.78 -0.11 0.50 0.09 0.00 0.00 178.44 179.69 1n20 h LYS 114 N 1.27 -0.31 -0.01 1.13 3.64 -0.95 0.34 116.57 121.68 1n20 h LYS 114 Ca 0.35 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1n20 h LYS 114 Cb -0.14 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1n20 h LYS 114 CO -0.08 -0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.68 1n20 n TYR 115 N -5.16 0.01 0.79 1.91 4.02 -0.91 -1.88 117.16 115.94 1n20 n TYR 115 Ca -0.09 -0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.90 1n20 n TYR 115 Cb 0.20 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.62 1n20 n TYR 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1n20 n LEU 116 N -0.79 2.81 -1.45 7.72 4.77 -0.89 -4.73 117.00 124.43 1n20 n LEU 116 Ca 0.19 -1.07 -0.12 0.00 -0.03 0.00 0.00 56.01 54.99 1n20 n LEU 116 Cb 0.12 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1n20 n LEU 116 CO 0.15 0.50 -0.10 0.61 -1.33 0.00 0.00 177.39 177.22 1n20 n GLY 117 N 1.19 -0.06 0.04 -0.72 0.00 -0.79 -4.84 105.19 100.01 1n20 n GLY 117 Ca 0.13 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1n20 n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n20 n LEU 118 N -1.87 0.47 0.09 0.99 4.77 0.11 -4.71 117.00 116.86 1n20 n LEU 118 Ca -0.11 -0.56 0.06 0.00 -0.03 0.00 0.00 56.01 55.37 1n20 n LEU 118 Cb 0.59 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.19 1n20 n LEU 118 CO 0.19 0.11 1.13 0.77 -1.33 0.00 0.00 177.39 178.26 1n20 h SER 119 N 0.18 0.29 0.38 -1.43 4.64 -1.73 -1.49 113.55 114.39 1n20 h SER 119 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1n20 h SER 119 Cb 0.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1n20 h SER 119 CO 0.00 0.21 0.00 0.44 -0.87 0.00 0.00 176.83 176.61 1n20 h ASP 120 N 0.34 0.00 1.39 4.97 3.32 -1.90 -0.41 116.42 124.14 1n20 h ASP 120 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1n20 h ASP 120 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1n20 h ASP 120 CO -0.02 0.00 -0.17 -0.26 -1.72 0.00 0.00 179.24 177.07 1n20 h PHE 121 N 0.00 0.00 -0.95 4.55 0.05 -1.61 -3.35 116.94 115.63 1n20 h PHE 121 Ca 0.00 0.00 -0.41 0.00 3.82 0.00 0.00 57.97 61.38 1n20 h PHE 121 Cb 0.19 0.00 -0.41 0.00 2.00 0.00 0.00 35.95 37.73 1n20 h PHE 121 CO 0.00 0.00 -1.03 1.19 -0.18 0.00 0.00 178.31 178.29 1n20 n PHE 122 N -2.35 1.89 0.18 -0.55 3.01 -0.18 -4.92 117.46 114.54 1n20 n PHE 122 Ca 0.05 -2.64 -0.14 0.00 1.01 0.00 0.00 57.45 55.73 1n20 n PHE 122 Cb 0.45 -0.27 -0.07 0.00 -0.01 0.00 0.00 39.48 39.58 1n20 n PHE 122 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1n20 h GLN 123 N 2.71 -0.51 0.28 -1.08 1.08 -1.67 -2.28 115.11 113.64 1n20 h GLN 123 Ca 0.04 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1n20 h GLN 123 Cb 1.19 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.70 1n20 h GLN 123 CO 0.54 -0.34 -0.44 -0.44 -0.95 0.00 0.00 178.83 177.19 1n20 h ASP 124 N -0.53 -1.26 -0.92 1.46 3.32 -1.91 -1.58 116.42 114.99 1n20 h ASP 124 Ca -0.01 0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.30 1n20 h ASP 124 Cb 0.47 0.45 -0.08 0.00 0.22 0.00 0.00 39.33 40.39 1n20 h ASP 124 CO -0.03 -0.55 0.59 -0.33 -1.72 0.00 0.00 179.24 177.20 1n20 h GLU 125 N -0.78 0.73 -0.22 3.56 3.07 -1.96 -1.69 114.58 117.29 1n20 h GLU 125 Ca -0.01 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 1n20 h GLU 125 Cb 0.74 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1n20 h GLU 125 CO -0.16 0.49 -0.11 0.82 -1.40 0.00 0.00 179.01 178.64 1n20 h ILE 126 N 0.76 1.31 -0.29 3.13 2.04 -1.03 -1.87 117.51 121.56 1n20 h ILE 126 Ca 0.47 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 65.17 1n20 h ILE 126 Cb 0.70 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1n20 h ILE 126 CO -0.23 0.36 0.11 0.11 0.00 0.00 0.00 178.15 178.50 1n20 h LYS 127 N 0.17 0.23 0.23 2.37 1.57 -0.69 -0.16 116.57 120.29 1n20 h LYS 127 Ca 0.05 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1n20 h LYS 127 Cb 0.61 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 1n20 h LYS 127 CO 0.03 0.15 -0.35 1.49 -0.57 0.00 0.00 179.45 180.20 1n20 h GLU 128 N 0.24 -0.63 -0.21 3.15 4.81 -1.28 0.16 114.58 120.81 1n20 h GLU 128 Ca 0.13 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1n20 h GLU 128 Cb 0.09 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1n20 h GLU 128 CO -0.12 -0.42 -0.09 0.82 -0.73 0.00 0.00 179.01 178.46 1n20 h ILE 129 N -0.65 0.69 0.00 2.32 2.04 -1.06 -1.65 117.51 119.19 1n20 h ILE 129 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1n20 h ILE 129 Cb 0.64 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1n20 h ILE 129 CO -0.14 0.00 -0.17 -0.07 0.00 0.00 0.00 178.15 177.77 1n20 h LEU 130 N -0.06 0.00 -0.09 1.44 3.38 -0.86 -1.03 115.31 118.08 1n20 h LEU 130 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1n20 h LEU 130 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1n20 h LEU 130 CO -0.26 0.17 0.02 1.23 0.09 0.00 0.00 178.44 179.69 1n20 h GLY 131 N 0.53 0.16 0.97 0.83 0.00 -0.06 -1.24 103.07 104.25 1n20 h GLY 131 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1n20 h GLY 131 CO 0.02 0.10 0.20 -2.08 0.00 0.00 0.00 176.54 174.78 1n20 h VAL 132 N -0.08 1.13 0.00 4.60 2.07 -1.01 -2.00 116.25 120.97 1n20 h VAL 132 Ca 0.03 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1n20 h VAL 132 Cb 0.28 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1n20 h VAL 132 CO 0.00 0.13 -0.02 0.40 0.02 0.00 0.00 177.57 178.10 1n20 h ILE 133 N 0.44 0.49 0.25 4.57 2.04 -1.08 -1.51 117.51 122.70 1n20 h ILE 133 Ca 0.12 -0.10 -0.33 0.00 1.00 0.00 0.00 64.86 65.55 1n20 h ILE 133 Cb 0.04 1.07 0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1n20 h ILE 133 CO -0.02 0.02 -1.47 0.22 0.00 0.00 0.00 178.15 176.90 1n20 h TYR 134 N 0.00 0.96 0.11 1.37 3.20 -0.52 -3.27 116.97 118.81 1n20 h TYR 134 Ca -0.00 -0.70 -0.01 0.00 3.14 0.00 0.00 58.73 61.17 1n20 h TYR 134 Cb 0.07 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1n20 h TYR 134 CO 0.00 1.56 -0.05 -0.91 -1.64 0.00 0.00 178.16 177.12 1n20 h ASN 135 N 0.12 -0.12 -0.99 -2.11 2.35 -1.01 -3.36 115.58 110.46 1n20 h ASN 135 Ca -0.26 -0.20 0.21 0.00 -0.55 0.00 0.00 56.30 55.50 1n20 h ASN 135 Cb 2.15 0.03 -0.10 0.00 0.05 0.00 0.00 38.32 40.45 1n20 h ASN 135 CO 0.27 0.45 0.62 -0.33 -1.65 0.00 0.00 177.43 176.78 1n20 h GLU 136 N -1.01 0.62 -5.51 0.81 5.08 -1.50 -3.38 114.58 109.70 1n20 h GLU 136 Ca -0.01 -0.04 -0.63 0.00 -1.00 0.00 0.00 59.36 57.68 1n20 h GLU 136 Cb 0.31 -0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.29 1n20 h GLU 136 CO 0.02 0.41 0.17 -1.01 -1.00 0.00 0.00 179.01 177.60 1n20 s HIS 137 N -5.72 3.14 0.19 4.33 3.76 -1.23 -4.95 115.29 114.80 1n20 s HIS 137 Ca -0.10 0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.20 1n20 s HIS 137 Cb 0.25 -3.18 0.07 0.00 1.11 0.00 0.00 32.58 30.83 1n20 s HIS 137 CO 0.80 -0.66 1.44 0.87 -0.85 0.00 0.00 174.74 176.34 1n20 h LYS 138 N 8.50 0.10 -0.09 1.40 1.57 -1.85 -3.26 116.57 122.94 1n20 h LYS 138 Ca -0.26 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1n20 h LYS 138 Cb 1.11 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1n20 h LYS 138 CO 0.85 0.85 0.08 0.00 -0.57 0.00 0.00 179.45 180.66 1n20 h PHE 140 N 0.00 0.39 0.00 0.00 0.05 -1.89 -3.43 116.94 112.06 1n20 h PHE 140 Ca 0.04 -0.18 0.00 0.00 3.82 0.00 0.00 57.97 61.66 1n20 h PHE 140 Cb 0.21 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.10 1n20 h PHE 140 CO 0.00 0.93 -0.07 -2.39 -0.18 0.00 0.00 178.31 176.59 1n20 n HIS 141 N -4.46 0.00 -0.07 -0.55 1.44 -1.02 -4.47 115.22 106.09 1n20 n HIS 141 Ca -0.09 -0.52 0.00 0.00 -2.01 0.00 0.00 57.72 55.10 1n20 n HIS 141 Cb 0.50 -0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.53 1n20 n HIS 141 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1n20 n ASP 149 N -0.67 0.00 0.36 4.39 2.03 -1.26 -5.04 116.55 116.36 1n20 n ASP 149 Ca 0.05 0.04 -0.18 0.00 0.52 0.00 0.00 54.79 55.22 1n20 n ASP 149 Cb 0.49 -0.07 -0.09 0.00 -0.72 0.00 0.00 41.12 40.73 1n20 n ASP 149 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1n20 h LEU 150 N 0.09 -0.79 -0.68 -2.67 5.85 -1.99 -1.63 115.31 113.49 1n20 h LEU 150 Ca 0.00 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1n20 h LEU 150 Cb 0.00 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.14 1n20 h LEU 150 CO 0.00 -0.54 -0.54 0.22 -0.34 0.00 0.00 178.44 177.23 1n20 h TYR 151 N -0.89 -1.69 -0.62 1.25 3.20 -1.89 0.46 116.97 116.79 1n20 h TYR 151 Ca -0.09 0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1n20 h TYR 151 Cb 0.69 0.83 -0.04 0.00 1.54 0.00 0.00 36.73 39.75 1n20 h TYR 151 CO -0.04 -0.43 0.38 0.35 -1.64 0.00 0.00 178.16 176.77 1n20 h PHE 152 N -0.21 0.71 -0.01 -3.82 3.57 -1.96 -1.61 116.94 113.61 1n20 h PHE 152 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1n20 h PHE 152 Cb 0.52 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1n20 h PHE 152 CO -0.84 0.40 0.01 1.15 -2.23 0.00 0.00 178.31 176.80 1n20 h THR 153 N 0.74 1.08 -0.13 4.41 2.02 -0.23 -1.28 112.91 119.52 1n20 h THR 153 Ca 0.25 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1n20 h THR 153 Cb 0.02 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1n20 h THR 153 CO -0.10 0.06 0.02 0.00 0.37 0.00 0.00 175.52 175.87 1n20 h ALA 154 N 0.91 0.17 0.30 6.16 0.00 -0.88 0.64 119.26 126.56 1n20 h ALA 154 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n20 h ALA 154 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n20 h ALA 154 CO -0.00 -0.18 -0.25 1.25 0.00 0.00 0.00 179.25 180.07 1n20 h LEU 155 N -0.01 -0.66 -0.54 0.00 5.85 -1.31 0.16 115.31 118.80 1n20 h LEU 155 Ca 0.04 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1n20 h LEU 155 Cb 0.29 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1n20 h LEU 155 CO 0.00 -0.38 0.24 1.23 -0.34 0.00 0.00 178.44 179.19 1n20 h GLY 156 N -0.57 0.74 0.22 3.75 0.00 -1.24 -0.55 103.07 105.42 1n20 h GLY 156 Ca -0.02 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1n20 h GLY 156 CO -0.02 0.06 -0.41 -2.75 0.00 0.00 0.00 176.54 173.41 1n20 h PHE 157 N 0.45 -1.17 -0.01 5.60 3.57 -0.39 0.12 116.94 125.12 1n20 h PHE 157 Ca 0.25 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1n20 h PHE 157 Cb 0.22 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1n20 h PHE 157 CO -0.13 -0.50 -0.22 -0.09 -2.23 0.00 0.00 178.31 175.13 1n20 h ARG 158 N -0.61 -0.34 -0.40 1.11 2.43 -0.14 -1.30 114.38 115.14 1n20 h ARG 158 Ca 0.03 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1n20 h ARG 158 Cb 0.66 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1n20 h ARG 158 CO -0.28 -0.22 0.11 -0.07 -1.51 0.00 0.00 179.97 177.99 1n20 h LEU 159 N -0.35 0.61 -0.46 3.80 3.38 -1.00 -1.56 115.31 119.72 1n20 h LEU 159 Ca 0.06 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1n20 h LEU 159 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1n20 h LEU 159 CO -0.21 0.67 0.30 -0.07 0.09 0.00 0.00 178.44 179.22 1n20 h LEU 160 N 0.51 0.51 -0.56 1.67 3.38 -0.62 -1.87 115.31 118.33 1n20 h LEU 160 Ca 0.13 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1n20 h LEU 160 Cb 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1n20 h LEU 160 CO -0.00 0.37 -0.41 -0.09 0.09 0.00 0.00 178.44 178.40 1n20 h ARG 161 N 0.61 0.70 0.00 1.13 2.43 -1.19 -0.46 114.38 117.60 1n20 h ARG 161 Ca 0.17 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 1n20 h ARG 161 Cb -0.05 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1n20 h ARG 161 CO -0.05 0.98 -0.08 1.96 -1.51 0.00 0.00 179.97 181.28 1n20 h GLN 162 N 0.57 0.00 -0.95 0.20 4.20 -0.99 -2.13 115.11 116.01 1n20 h GLN 162 Ca 0.05 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.38 1n20 h GLN 162 Cb 0.95 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.51 1n20 h GLN 162 CO 0.09 0.08 0.47 0.72 -0.67 0.00 0.00 178.83 179.51 1n20 n HIS 163 N -4.36 2.46 -0.98 2.96 8.25 -0.73 -4.91 115.22 117.90 1n20 n HIS 163 Ca -0.03 -1.48 0.00 0.00 -0.26 0.00 0.00 57.72 55.95 1n20 n HIS 163 Cb 0.16 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.49 1n20 n HIS 163 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n20 n GLY 164 N -0.67 0.63 3.80 -1.41 0.00 -0.80 -5.03 105.19 101.70 1n20 n GLY 164 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 1n20 n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n20 s PHE 165 N -2.61 3.51 -0.64 1.61 0.40 -0.21 -4.99 117.98 115.05 1n20 s PHE 165 Ca 0.00 1.71 -0.23 0.00 -0.60 0.00 0.00 56.93 57.81 1n20 s PHE 165 Cb 0.00 -2.90 0.06 0.00 0.51 0.00 0.00 43.02 40.69 1n20 s PHE 165 CO 0.00 0.04 0.96 1.21 0.70 0.00 0.00 175.22 178.13 1n20 s ASN 166 N -1.85 6.20 -0.10 1.36 2.47 -1.26 -4.32 114.94 117.44 1n20 s ASN 166 Ca 0.56 -0.85 0.03 0.00 0.42 0.00 0.00 52.86 53.01 1n20 s ASN 166 Cb -0.15 -2.42 0.01 0.00 -1.45 0.00 0.00 41.25 37.24 1n20 s ASN 166 CO 0.19 -1.40 -0.19 -0.63 -3.72 0.00 0.00 177.10 171.36 1n20 s ILE 167 N 4.05 1.71 0.53 -5.21 -1.09 -1.26 -4.93 121.20 114.99 1n20 s ILE 167 Ca 0.24 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.70 1n20 s ILE 167 Cb -0.16 -1.51 -0.07 0.00 -1.58 0.00 0.00 42.46 39.14 1n20 s ILE 167 CO 0.12 0.48 1.00 -0.55 -1.23 0.00 0.00 174.94 174.76 1n20 s SER 168 N 0.67 6.44 0.32 3.58 0.15 -1.26 -4.92 113.70 118.67 1n20 s SER 168 Ca -0.13 1.64 0.26 0.00 0.70 0.00 0.00 55.95 58.43 1n20 s SER 168 Cb -0.16 -2.52 1.03 0.00 -1.71 0.00 0.00 66.02 62.66 1n20 s SER 168 CO 0.03 -0.71 1.77 0.06 1.20 0.00 0.00 173.24 175.59 1n20 h GLN 169 N 0.88 0.00 0.00 5.44 3.07 -2.00 -3.04 115.11 119.46 1n20 h GLN 169 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1n20 h GLN 169 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 1n20 h GLN 169 CO 0.60 0.00 0.03 -0.25 0.09 0.00 0.00 178.83 179.31 1n20 n ASP 170 N -2.45 0.55 0.00 0.06 8.00 -1.26 -1.81 116.55 119.65 1n20 n ASP 170 Ca 0.02 0.75 0.05 0.00 0.71 0.00 0.00 54.79 56.33 1n20 n ASP 170 Cb 0.28 -0.81 0.30 0.00 -0.02 0.00 0.00 41.12 40.86 1n20 n ASP 170 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1n20 n VAL 171 N -2.26 0.40 0.28 2.53 0.31 -1.15 -1.73 118.33 116.71 1n20 n VAL 171 Ca -0.01 0.10 0.06 0.00 -0.01 0.00 0.00 64.34 64.47 1n20 n VAL 171 Cb 0.06 -0.92 0.09 0.00 -0.91 0.00 0.00 33.84 32.16 1n20 n VAL 171 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1n20 n PHE 172 N -1.15 0.16 0.06 3.52 3.01 -0.75 -4.48 117.46 117.84 1n20 n PHE 172 Ca 0.07 -0.16 -0.02 0.00 1.01 0.00 0.00 57.45 58.35 1n20 n PHE 172 Cb 0.06 -0.01 0.26 0.00 -0.01 0.00 0.00 39.48 39.78 1n20 n PHE 172 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1n20 h ASN 173 N 2.30 0.36 0.00 4.37 -0.26 -1.54 -2.45 115.58 118.35 1n20 h ASN 173 Ca 0.00 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 1n20 h ASN 173 Cb 0.58 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1n20 h ASN 173 CO 0.00 0.62 0.26 0.00 -1.06 0.00 0.00 177.43 177.24 1n20 n PHE 175 N -1.88 0.23 -2.91 0.00 3.01 -0.92 -4.98 117.46 110.01 1n20 n PHE 175 Ca -0.01 -0.23 -0.40 0.00 1.01 0.00 0.00 57.45 57.83 1n20 n PHE 175 Cb 0.27 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 1n20 n PHE 175 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1n20 s LYS 176 N -1.01 4.65 1.17 -1.08 1.02 0.04 -1.40 119.74 123.12 1n20 s LYS 176 Ca 0.19 1.25 -0.17 0.00 0.02 0.00 0.00 55.97 57.27 1n20 s LYS 176 Cb 0.12 -3.27 0.26 0.00 -0.52 0.00 0.00 37.83 34.41 1n20 s LYS 176 CO 0.16 0.54 0.59 0.27 -0.92 0.00 0.00 175.35 175.99 1n20 n ASN 177 N 1.63 -3.50 -0.22 2.83 0.23 -0.66 -4.58 115.26 111.00 1n20 n ASN 177 Ca -0.04 -0.59 -0.07 0.00 -0.53 0.00 0.00 54.58 53.34 1n20 n ASN 177 Cb 0.48 -0.84 -0.02 0.00 -2.08 0.00 0.00 39.78 37.32 1n20 n ASN 177 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1n20 h GLU 178 N -3.12 -0.18 -0.14 -3.83 -0.00 -1.96 0.18 114.58 105.53 1n20 h GLU 178 Ca -0.27 0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1n20 h GLU 178 Cb 0.91 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 29.69 1n20 h GLU 178 CO 0.16 -0.12 0.07 1.57 -0.00 0.00 0.00 179.01 180.70 1n20 h LYS 179 N -0.19 0.18 0.00 1.06 5.09 -1.96 -3.46 116.57 117.29 1n20 h LYS 179 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.93 1n20 h LYS 179 Cb 0.56 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.85 1n20 h LYS 179 CO -0.70 0.14 0.00 0.41 -2.09 0.00 0.00 179.45 177.21 1n20 n GLY 180 N -1.47 0.47 0.10 0.07 0.00 0.65 -4.97 105.19 100.03 1n20 n GLY 180 Ca -0.01 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 1n20 n GLY 180 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n20 n ILE 181 N -3.22 1.49 -3.33 -0.61 5.41 -1.26 -4.90 119.36 112.94 1n20 n ILE 181 Ca 0.00 0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1n20 n ILE 181 Cb 0.17 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 1n20 n ILE 181 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1n20 n ASP 182 N -4.47 1.99 -4.87 4.38 8.00 -1.26 -5.00 116.55 115.32 1n20 n ASP 182 Ca -0.25 -0.33 -0.35 0.00 0.71 0.00 0.00 54.79 54.57 1n20 n ASP 182 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.60 1n20 n ASP 182 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1n20 s PHE 183 N 0.34 3.60 -0.11 1.24 0.40 -1.26 -1.65 117.98 120.53 1n20 s PHE 183 Ca 0.00 0.68 -0.34 0.00 -0.60 0.00 0.00 56.93 56.67 1n20 s PHE 183 Cb 0.00 -2.07 -0.11 0.00 0.51 0.00 0.00 43.02 41.35 1n20 s PHE 183 CO 0.00 0.59 1.93 1.63 0.70 0.00 0.00 175.22 180.08 1n20 n LYS 184 N 1.17 2.12 0.06 0.44 5.02 -0.49 -4.59 118.16 121.88 1n20 n LYS 184 Ca -0.11 0.76 0.04 0.00 -2.02 0.00 0.00 58.31 56.98 1n20 n LYS 184 Cb 0.53 -2.69 0.20 0.00 -0.02 0.00 0.00 35.03 33.05 1n20 n LYS 184 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n20 n ALA 185 N 7.28 1.00 0.93 7.82 0.00 -1.26 -0.87 120.51 135.41 1n20 n ALA 185 Ca 0.24 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.86 1n20 n ALA 185 Cb 0.31 -1.10 0.51 0.00 0.00 0.00 0.00 19.45 19.17 1n20 n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n20 n SER 186 N -1.76 0.00 0.12 0.00 3.41 -1.26 -2.53 113.62 111.60 1n20 n SER 186 Ca -0.00 0.12 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1n20 n SER 186 Cb 0.02 -0.34 0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1n20 n SER 186 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1n20 h LEU 187 N 0.00 0.00 -0.17 1.04 3.38 -1.37 -3.30 115.31 114.88 1n20 h LEU 187 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n20 h LEU 187 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1n20 h LEU 187 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1n20 n ALA 188 N -2.04 1.26 -0.00 1.53 0.00 -1.05 -1.80 120.51 118.41 1n20 n ALA 188 Ca 0.02 0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 1n20 n ALA 188 Cb 0.51 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 1n20 n ALA 188 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1n20 h GLN 189 N 0.00 0.33 -5.45 0.00 3.07 -1.79 -3.39 115.11 107.88 1n20 h GLN 189 Ca 0.00 -0.37 -0.40 0.00 0.09 0.00 0.00 58.65 57.97 1n20 h GLN 189 Cb 0.10 0.11 -0.04 0.00 0.08 0.00 0.00 27.48 27.73 1n20 h GLN 189 CO 0.00 1.06 1.31 -3.47 0.09 0.00 0.00 178.83 177.82 1n20 n ASP 190 N -4.30 3.30 -0.05 0.06 2.03 -0.74 -4.77 116.55 112.08 1n20 n ASP 190 Ca -0.10 -2.73 -0.08 0.00 0.52 0.00 0.00 54.79 52.40 1n20 n ASP 190 Cb 0.63 -1.71 -0.02 0.00 -0.72 0.00 0.00 41.12 39.30 1n20 n ASP 190 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1n20 h THR 191 N 5.96 0.84 -0.85 5.18 2.02 -1.81 0.11 112.91 124.37 1n20 h THR 191 Ca 0.26 -0.02 0.15 0.00 0.77 0.00 0.00 66.41 67.57 1n20 h THR 191 Cb 0.91 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 68.00 1n20 h THR 191 CO 1.30 0.01 0.43 0.50 0.37 0.00 0.00 175.52 178.14 1n20 h LYS 192 N 0.07 0.60 -0.17 6.66 3.64 -1.97 -1.15 116.57 124.25 1n20 h LYS 192 Ca 0.10 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 1n20 h LYS 192 Cb 0.13 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1n20 h LYS 192 CO -0.17 0.40 -0.60 0.78 -2.27 0.00 0.00 179.45 177.58 1n20 h GLY 193 N 0.62 0.64 0.98 5.01 0.00 -1.64 -3.25 103.07 105.43 1n20 h GLY 193 Ca 0.46 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1n20 h GLY 193 CO -0.36 0.70 0.26 -0.33 0.00 0.00 0.00 176.54 176.81 1n20 h MET 194 N 0.43 0.66 -0.82 4.80 2.86 0.39 -1.23 114.93 122.02 1n20 h MET 194 Ca -0.00 -0.08 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 1n20 h MET 194 Cb 1.17 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.63 1n20 h MET 194 CO 0.11 0.52 0.49 1.25 1.06 0.00 0.00 176.91 180.34 1n20 h LEU 195 N 0.63 0.75 -0.85 1.22 5.85 -1.44 0.36 115.31 121.83 1n20 h LEU 195 Ca 0.17 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 1n20 h LEU 195 Cb 0.05 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1n20 h LEU 195 CO -0.03 0.47 -0.48 1.56 -0.34 0.00 0.00 178.44 179.62 1n20 h GLN 196 N 0.88 0.22 -0.02 1.25 1.08 -1.52 0.61 115.11 117.61 1n20 h GLN 196 Ca 0.37 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1n20 h GLN 196 Cb 0.22 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1n20 h GLN 196 CO -0.19 0.66 -0.01 1.25 -0.95 0.00 0.00 178.83 179.59 1n20 h LEU 197 N 0.18 0.04 0.14 1.46 5.85 0.06 -1.45 115.31 121.59 1n20 h LEU 197 Ca 0.01 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1n20 h LEU 197 Cb 0.92 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1n20 h LEU 197 CO 0.07 0.41 -0.33 0.22 -0.34 0.00 0.00 178.44 178.47 1n20 h TYR 198 N -0.33 -0.96 -0.65 1.25 3.20 -0.15 -1.54 116.97 117.80 1n20 h TYR 198 Ca 0.01 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.02 1n20 h TYR 198 Cb 0.39 0.40 -0.12 0.00 1.54 0.00 0.00 36.73 38.94 1n20 h TYR 198 CO 0.06 -0.39 -0.22 0.93 -1.64 0.00 0.00 178.16 176.89 1n20 h GLU 199 N -0.52 -0.05 -0.43 1.82 4.39 -0.91 -1.04 114.58 117.84 1n20 h GLU 199 Ca -0.01 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1n20 h GLU 199 Cb 0.50 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1n20 h GLU 199 CO -0.15 -0.04 0.29 0.00 -1.16 0.00 0.00 179.01 177.95 1n20 h ALA 200 N 1.46 1.83 -0.27 3.43 0.00 -0.91 -2.76 119.26 122.04 1n20 h ALA 200 Ca 0.30 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1n20 h ALA 200 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1n20 h ALA 200 CO -0.69 0.11 0.18 0.66 0.00 0.00 0.00 179.25 179.51 1n20 h SER 201 N 0.46 0.20 0.00 0.00 4.64 -0.15 -2.36 113.55 116.33 1n20 h SER 201 Ca 0.17 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1n20 h SER 201 Cb 0.13 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1n20 h SER 201 CO -0.04 0.14 0.00 0.49 -0.87 0.00 0.00 176.83 176.55 1n20 n PHE 202 N -4.49 0.00 -0.51 4.77 3.01 -1.04 -2.24 117.46 116.95 1n20 n PHE 202 Ca 0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.57 1n20 n PHE 202 Cb 0.17 0.00 0.35 0.00 -0.01 0.00 0.00 39.48 39.99 1n20 n PHE 202 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1n20 n LEU 203 N -0.99 4.60 -4.76 4.37 4.32 -0.89 -4.93 117.00 118.73 1n20 n LEU 203 Ca 0.14 -2.32 -0.37 0.00 -0.02 0.00 0.00 56.01 53.44 1n20 n LEU 203 Cb 0.07 -0.57 0.01 0.00 -1.62 0.00 0.00 43.42 41.30 1n20 n LEU 203 CO 0.11 0.79 0.87 -1.48 -1.22 0.00 0.00 177.39 176.46 1n20 s LEU 204 N -1.75 3.92 0.00 2.23 2.34 -0.95 -5.02 118.68 119.45 1n20 s LEU 204 Ca 0.50 2.43 0.02 0.00 0.06 0.00 0.00 54.13 57.14 1n20 s LEU 204 Cb 0.32 -4.31 0.02 0.00 -0.56 0.00 0.00 46.19 41.66 1n20 s LEU 204 CO 0.24 -1.18 0.19 0.54 -1.06 0.00 0.00 176.35 175.09 1n20 n ARG 205 N -0.79 0.79 -1.65 1.48 1.74 -1.26 -4.56 116.66 112.40 1n20 n ARG 205 Ca 0.09 -3.35 -0.49 0.00 -0.77 0.00 0.00 57.85 53.33 1n20 n ARG 205 Cb 0.48 0.63 -0.05 0.00 -1.02 0.00 0.00 32.46 32.50 1n20 n ARG 205 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1n20 n LYS 206 N -1.45 1.80 0.00 5.56 4.81 -1.26 -2.30 118.16 125.32 1n20 n LYS 206 Ca -0.11 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1n20 n LYS 206 Cb 0.60 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.25 1n20 n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n20 n GLY 207 N 3.37 2.44 3.58 3.14 0.00 -1.26 -4.97 105.19 111.49 1n20 n GLY 207 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1n20 n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n20 s GLU 208 N -0.29 3.39 0.41 1.61 2.02 -0.97 -4.76 118.70 120.11 1n20 s GLU 208 Ca 0.00 -1.56 0.17 0.00 0.02 0.00 0.00 54.97 53.60 1n20 s GLU 208 Cb 0.00 -5.40 0.88 0.00 0.10 0.00 0.00 34.13 29.71 1n20 s GLU 208 CO 0.00 -2.87 1.87 -0.44 0.02 0.00 0.00 175.26 173.84 1n20 h ASP 209 N 8.66 0.00 -0.57 -0.19 3.32 -1.93 -3.06 116.42 122.65 1n20 h ASP 209 Ca 0.33 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1n20 h ASP 209 Cb 0.91 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1n20 h ASP 209 CO 1.37 0.31 0.20 0.74 -1.72 0.00 0.00 179.24 180.14 1n20 h THR 210 N 0.00 1.23 -0.13 0.35 2.02 -1.94 -1.41 112.91 113.03 1n20 h THR 210 Ca -0.00 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.35 1n20 h THR 210 Cb 0.62 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1n20 h THR 210 CO 0.04 0.29 -0.22 -0.07 0.37 0.00 0.00 175.52 175.93 1n20 h LEU 211 N 0.79 0.21 -0.36 2.58 3.38 -1.89 0.96 115.31 120.98 1n20 h LEU 211 Ca 0.19 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1n20 h LEU 211 Cb 0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1n20 h LEU 211 CO -0.01 0.44 -0.20 -0.08 0.09 0.00 0.00 178.44 178.68 1n20 h GLU 212 N 0.20 0.77 -0.57 1.13 4.57 -1.45 -1.63 114.58 117.58 1n20 h GLU 212 Ca 0.03 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1n20 h GLU 212 Cb 0.50 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1n20 h GLU 212 CO 0.03 0.96 0.24 1.25 -1.18 0.00 0.00 179.01 180.32 1n20 h LEU 213 N 0.55 0.79 -0.67 1.64 5.85 -0.61 -2.62 115.31 120.24 1n20 h LEU 213 Ca 0.08 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1n20 h LEU 213 Cb 0.75 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1n20 h LEU 213 CO 0.06 0.73 0.41 0.00 -0.34 0.00 0.00 178.44 179.30 1n20 h ALA 214 N 1.08 0.87 0.38 1.25 0.00 -0.67 -0.67 119.26 121.50 1n20 h ALA 214 Ca 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n20 h ALA 214 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1n20 h ALA 214 CO -0.02 0.16 -0.39 -0.09 0.00 0.00 0.00 179.25 178.91 1n20 h ARG 215 N 0.79 -0.76 -0.52 0.00 2.43 -0.93 0.35 114.38 115.74 1n20 h ARG 215 Ca 0.27 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.54 1n20 h ARG 215 Cb 0.04 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1n20 h ARG 215 CO -0.12 -0.51 0.27 0.93 -1.51 0.00 0.00 179.97 179.03 1n20 h GLU 216 N -0.79 0.51 0.64 0.20 5.08 -1.33 0.36 114.58 119.25 1n20 h GLU 216 Ca -0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1n20 h GLU 216 Cb 0.71 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1n20 h GLU 216 CO -0.07 0.33 -0.34 0.35 -1.00 0.00 0.00 179.01 178.28 1n20 h PHE 217 N 0.52 -0.90 -0.75 4.33 3.57 -0.83 -2.07 116.94 120.80 1n20 h PHE 217 Ca 0.22 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1n20 h PHE 217 Cb 0.12 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1n20 h PHE 217 CO -0.10 -0.53 0.49 0.00 -2.23 0.00 0.00 178.31 175.94 1n20 h ALA 218 N -1.49 1.71 0.04 2.41 0.00 -0.22 -1.95 119.26 119.77 1n20 h ALA 218 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n20 h ALA 218 Cb 0.71 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1n20 h ALA 218 CO 0.12 0.17 -0.02 1.15 0.00 0.00 0.00 179.25 180.67 1n20 h THR 219 N 0.76 0.97 0.06 0.00 2.02 -0.17 -1.39 112.91 115.16 1n20 h THR 219 Ca 0.33 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.49 1n20 h THR 219 Cb 0.30 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1n20 h THR 219 CO -0.11 0.01 -0.11 0.11 0.37 0.00 0.00 175.52 175.79 1n20 h LYS 220 N -0.06 -0.20 -0.09 6.66 1.57 -0.85 -0.11 116.57 123.48 1n20 h LYS 220 Ca -0.01 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1n20 h LYS 220 Cb 0.05 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1n20 h LYS 220 CO 0.01 -0.14 -0.42 0.00 -0.57 0.00 0.00 179.45 178.33 1n20 h LEU 222 N -0.52 0.40 -1.54 0.00 3.38 -1.16 -2.36 115.31 113.51 1n20 h LEU 222 Ca 0.06 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1n20 h LEU 222 Cb 0.63 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1n20 h LEU 222 CO -0.37 0.33 0.41 -0.61 0.09 0.00 0.00 178.44 178.29 1n20 h GLN 223 N 0.43 0.54 -0.03 1.13 5.75 -0.74 -2.30 115.11 119.88 1n20 h GLN 223 Ca 0.12 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 1n20 h GLN 223 Cb 0.01 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.44 1n20 h GLN 223 CO -0.02 0.35 -0.51 -0.22 -2.65 0.00 0.00 178.83 175.78 1n20 h LYS 224 N 0.55 0.40 -0.59 1.69 3.64 -0.99 -3.23 116.57 118.03 1n20 h LYS 224 Ca 0.27 -0.39 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1n20 h LYS 224 Cb 0.35 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1n20 h LYS 224 CO -0.08 1.05 0.39 0.87 -2.27 0.00 0.00 179.45 179.41 1n20 h LYS 225 N -0.11 0.59 0.00 1.90 1.57 -1.05 1.04 116.57 120.52 1n20 h LYS 225 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1n20 h LYS 225 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1n20 h LYS 225 CO 0.10 0.39 0.00 -0.11 -0.57 0.00 0.00 179.45 179.26 1n20 n LEU 226 N -4.47 0.00 0.00 2.94 0.00 -0.90 -5.12 117.00 109.44 1n20 n LEU 226 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.09 1n20 n LEU 226 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.63 1n20 n LEU 226 CO 0.34 0.00 0.00 0.47 0.00 0.00 0.00 177.39 178.20 1n20 n ASP 227 N -0.89 0.00 0.00 1.96 8.00 0.36 -5.09 116.55 120.88 1n20 n ASP 227 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1n20 n ASP 227 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1n20 n ASP 227 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n20 n ASP 234 N 0.00 0.00 -0.20 -2.24 2.03 -1.26 -4.77 116.55 110.11 1n20 n ASP 234 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 1n20 n ASP 234 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1n20 n ASP 234 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1n20 h GLU 235 N 0.00 0.85 -0.21 -0.67 4.11 -2.04 -1.97 114.58 114.65 1n20 h GLU 235 Ca 0.00 -0.16 -0.07 0.00 0.07 0.00 0.00 59.36 59.20 1n20 h GLU 235 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1n20 h GLU 235 CO 0.00 0.75 -0.13 -0.91 0.07 0.00 0.00 179.01 178.79 1n20 h ASN 236 N 0.77 0.48 -0.13 3.06 2.35 -1.99 -2.46 115.58 117.66 1n20 h ASN 236 Ca 0.18 -0.43 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 1n20 h ASN 236 Cb 0.23 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1n20 h ASN 236 CO -0.01 0.80 0.05 0.25 -1.65 0.00 0.00 177.43 176.87 1n20 h LEU 237 N 0.16 0.23 -0.50 1.61 5.85 -1.99 -0.84 115.31 119.84 1n20 h LEU 237 Ca 0.04 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 1n20 h LEU 237 Cb 0.63 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1n20 h LEU 237 CO 0.04 0.24 -0.39 0.25 -0.34 0.00 0.00 178.44 178.24 1n20 h LEU 238 N 0.26 0.86 -0.68 2.25 6.46 -1.21 -1.19 115.31 122.06 1n20 h LEU 238 Ca 0.06 -0.39 -0.14 0.00 -0.12 0.00 0.00 57.88 57.30 1n20 h LEU 238 Cb 0.10 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 1n20 h LEU 238 CO -0.00 1.14 -0.48 -0.07 -0.62 0.00 0.00 178.44 178.41 1n20 h LEU 239 N 0.66 0.47 -0.38 2.25 3.38 -0.84 -1.99 115.31 118.87 1n20 h LEU 239 Ca 0.06 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.63 1n20 h LEU 239 Cb 0.95 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1n20 h LEU 239 CO 0.09 0.88 -0.46 -0.25 0.09 0.00 0.00 178.44 178.80 1n20 h TRP 240 N 0.35 1.07 -0.20 1.13 2.91 -1.07 -2.49 115.95 117.64 1n20 h TRP 240 Ca 0.02 -0.35 -0.02 0.00 1.13 0.00 0.00 58.89 59.68 1n20 h TRP 240 Cb 0.98 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 1n20 h TRP 240 CO 0.03 1.16 0.07 0.82 -1.03 0.00 0.00 178.44 179.49 1n20 h ILE 241 N 0.70 1.19 -0.47 2.65 2.04 -1.08 -0.95 117.51 121.58 1n20 h ILE 241 Ca 0.04 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1n20 h ILE 241 Cb 1.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1n20 h ILE 241 CO 0.11 0.19 0.20 -0.09 0.00 0.00 0.00 178.15 178.55 1n20 h ARG 242 N 0.16 0.66 -0.19 2.37 2.43 -1.38 -0.34 114.38 118.08 1n20 h ARG 242 Ca 0.07 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1n20 h ARG 242 Cb 0.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1n20 h ARG 242 CO -0.00 0.53 -0.01 1.25 -1.51 0.00 0.00 179.97 180.23 1n20 h HIS 243 N 0.66 0.39 0.00 2.20 2.76 -1.15 -2.81 115.15 117.19 1n20 h HIS 243 Ca 0.16 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1n20 h HIS 243 Cb 0.10 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1n20 h HIS 243 CO 0.01 0.56 -0.27 0.77 -1.30 0.00 0.00 177.93 177.69 1n20 h SER 244 N 0.10 0.00 0.96 3.26 0.02 -0.77 -2.78 113.55 114.34 1n20 h SER 244 Ca 0.05 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1n20 h SER 244 Cb 0.42 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1n20 h SER 244 CO 0.01 0.27 -0.65 -0.07 -1.14 0.00 0.00 176.83 175.26 1n20 h LEU 245 N 0.00 0.00 -0.31 5.07 3.38 -1.02 -2.27 115.31 120.16 1n20 h LEU 245 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1n20 h LEU 245 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1n20 h LEU 245 CO 0.04 0.65 -0.37 0.44 0.09 0.00 0.00 178.44 179.28 1n20 h ASP 246 N 0.00 0.86 -2.18 -0.43 5.19 -1.31 -3.44 116.42 115.10 1n20 h ASP 246 Ca -0.01 -0.49 0.07 0.00 -0.62 0.00 0.00 57.03 55.99 1n20 h ASP 246 Cb 1.30 -0.24 -0.21 0.00 0.18 0.00 0.00 39.33 40.36 1n20 h ASP 246 CO 0.08 1.18 -0.06 -0.76 -3.12 0.00 0.00 179.24 176.56 1n20 s LEU 247 N -8.88 -1.05 0.98 1.55 1.43 -1.06 -5.13 118.68 106.51 1n20 s LEU 247 Ca -0.12 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 1n20 s LEU 247 Cb 0.09 2.27 0.18 0.00 0.03 0.00 0.00 46.19 48.77 1n20 s LEU 247 CO 0.86 -0.22 1.09 -2.16 0.23 0.00 0.00 176.35 176.15 1n20 s PRO 248 N 2.54 0.53 0.44 1.29 0.04 -0.87 -4.06 135.00 134.91 1n20 s PRO 248 Ca -0.07 1.12 0.10 0.00 0.04 0.00 0.00 61.00 62.19 1n20 s PRO 248 Cb -0.10 -1.70 0.97 0.00 0.04 0.00 0.00 34.50 33.71 1n20 s PRO 248 CO -0.19 -2.83 2.07 -0.07 0.04 0.00 0.00 177.00 176.02 1n20 h LEU 249 N -1.99 0.35 -1.91 -3.56 3.38 -1.91 -0.48 115.31 109.19 1n20 h LEU 249 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1n20 h LEU 249 Cb 1.29 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1n20 h LEU 249 CO 0.48 0.25 0.00 -0.74 0.09 0.00 0.00 178.44 178.52 1n20 h HIS 250 N 0.42 0.00 -0.50 1.13 2.76 -1.90 -1.44 115.15 115.62 1n20 h HIS 250 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1n20 h HIS 250 Cb 0.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1n20 h HIS 250 CO -0.00 0.00 0.00 0.91 -1.30 0.00 0.00 177.93 177.54 1n20 n TRP 251 N -2.95 1.08 -4.46 5.26 7.02 -0.20 -4.98 117.44 118.21 1n20 n TRP 251 Ca -0.01 -0.63 -0.23 0.00 -1.02 0.00 0.00 57.50 55.61 1n20 n TRP 251 Cb 0.20 -0.19 -0.10 0.00 -2.42 0.00 0.00 31.31 28.80 1n20 n TRP 251 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1n20 s ARG 252 N -1.76 1.64 -0.12 -0.99 0.52 -0.54 -4.83 118.95 112.88 1n20 s ARG 252 Ca 0.42 -1.78 0.03 0.00 -0.52 0.00 0.00 55.73 53.88 1n20 s ARG 252 Cb 0.27 -1.59 0.01 0.00 0.52 0.00 0.00 34.95 34.16 1n20 s ARG 252 CO 0.20 0.24 -0.20 0.42 0.02 0.00 0.00 175.30 175.97 1n20 s ILE 253 N -2.66 1.86 0.17 1.52 1.01 -1.26 -4.98 121.20 116.87 1n20 s ILE 253 Ca 0.29 -0.88 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 1n20 s ILE 253 Cb -0.02 -1.65 0.06 0.00 0.01 0.00 0.00 42.46 40.86 1n20 s ILE 253 CO 0.14 0.51 1.78 -0.61 0.00 0.00 0.00 174.94 176.76 1n20 h GLN 254 N 7.15 0.45 0.00 2.79 -0.00 -1.93 -1.35 115.11 122.22 1n20 h GLN 254 Ca -0.28 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.33 1n20 h GLN 254 Cb 1.20 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 28.58 1n20 h GLN 254 CO 0.51 0.30 -0.03 0.66 0.00 0.00 0.00 178.83 180.26 1n20 h SER 255 N 0.46 0.00 0.27 -0.69 4.64 -1.91 0.12 113.55 116.44 1n20 h SER 255 Ca 0.20 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.18 1n20 h SER 255 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1n20 h SER 255 CO -0.15 0.03 -1.71 0.58 -0.87 0.00 0.00 176.83 174.71 1n20 h VAL 256 N 0.00 0.96 -0.50 0.95 2.07 -1.69 -3.38 116.25 114.67 1n20 h VAL 256 Ca -0.00 -2.58 -0.25 0.00 0.82 0.00 0.00 66.70 64.68 1n20 h VAL 256 Cb 0.22 2.72 -0.15 0.00 -1.52 0.00 0.00 31.29 32.56 1n20 h VAL 256 CO 0.00 0.84 0.08 -0.62 0.02 0.00 0.00 177.57 177.89 1n20 n GLU 257 N -3.52 1.96 -0.18 1.57 1.02 -0.58 -4.75 120.64 116.15 1n20 n GLU 257 Ca -0.23 -3.15 -0.00 0.00 -0.02 0.00 0.00 57.16 53.76 1n20 n GLU 257 Cb 1.06 -1.90 0.09 0.00 -0.02 0.00 0.00 31.44 30.67 1n20 n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n20 h ALA 258 N 1.03 0.60 0.25 0.62 0.00 -0.97 -1.97 119.26 118.82 1n20 h ALA 258 Ca 0.31 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1n20 h ALA 258 Cb 1.93 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1n20 h ALA 258 CO 0.55 -0.36 -0.16 -0.09 0.00 0.00 0.00 179.25 179.19 1n20 h ARG 259 N 0.17 -0.38 -0.62 0.00 2.43 -1.87 -0.28 114.38 113.83 1n20 h ARG 259 Ca 0.29 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.62 1n20 h ARG 259 Cb 0.45 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.99 1n20 h ARG 259 CO -0.44 -0.25 0.05 2.35 -1.51 0.00 0.00 179.97 180.17 1n20 h TRP 260 N -0.39 0.05 -0.41 2.20 7.01 -1.79 0.11 115.95 122.71 1n20 h TRP 260 Ca -0.02 0.04 -0.10 0.00 2.11 0.00 0.00 58.89 60.92 1n20 h TRP 260 Cb 0.33 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 1n20 h TRP 260 CO -0.09 -0.13 -0.15 0.74 -2.79 0.00 0.00 178.44 176.02 1n20 h PHE 261 N 0.16 0.86 -0.29 2.65 -1.00 -1.07 -1.82 116.94 116.44 1n20 h PHE 261 Ca 0.33 -0.17 -0.07 0.00 2.81 0.00 0.00 57.97 60.87 1n20 h PHE 261 Cb 0.53 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1n20 h PHE 261 CO -0.32 0.87 -0.09 0.82 -1.61 0.00 0.00 178.31 177.97 1n20 h ILE 262 N 0.69 1.29 -0.77 -0.55 2.04 0.15 -2.10 117.51 118.26 1n20 h ILE 262 Ca 0.11 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 64.85 1n20 h ILE 262 Cb 0.64 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 1n20 h ILE 262 CO 0.04 0.37 0.49 0.44 0.00 0.00 0.00 178.15 179.49 1n20 h ASP 263 N 0.33 0.82 -0.11 1.72 3.32 -0.74 -1.61 116.42 120.16 1n20 h ASP 263 Ca 0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1n20 h ASP 263 Cb 0.59 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1n20 h ASP 263 CO 0.03 0.57 0.07 0.00 -1.72 0.00 0.00 179.24 178.19 1n20 h ALA 264 N 1.32 0.14 -1.00 3.45 0.00 -1.18 -2.59 119.26 119.40 1n20 h ALA 264 Ca 0.30 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1n20 h ALA 264 Cb -0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1n20 h ALA 264 CO -0.10 -0.34 0.65 -0.92 0.00 0.00 0.00 179.25 178.54 1n20 h TYR 265 N 0.11 1.23 0.00 0.00 3.20 -1.11 -1.82 116.97 118.58 1n20 h TYR 265 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1n20 h TYR 265 Cb 0.04 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 1n20 h TYR 265 CO -0.05 0.73 -0.05 0.00 -1.64 0.00 0.00 178.16 177.14 1n20 h ALA 266 N 1.41 1.22 -0.09 1.82 0.00 -0.93 -2.01 119.26 120.69 1n20 h ALA 266 Ca 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1n20 h ALA 266 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1n20 h ALA 266 CO -0.11 0.07 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1n20 n ARG 267 N -3.47 1.77 -3.09 0.00 1.74 -0.69 -4.89 116.66 108.04 1n20 n ARG 267 Ca -0.02 -1.14 -0.40 0.00 -0.77 0.00 0.00 57.85 55.53 1n20 n ARG 267 Cb 0.17 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 1n20 n ARG 267 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n20 s ARG 268 N -1.90 4.35 0.34 5.56 0.52 -0.76 -4.96 118.95 122.11 1n20 s ARG 268 Ca 0.35 0.76 0.08 0.00 -0.52 0.00 0.00 55.73 56.40 1n20 s ARG 268 Cb 0.20 -3.50 0.78 0.00 0.52 0.00 0.00 34.95 32.95 1n20 s ARG 268 CO 0.30 -0.05 1.85 -1.35 0.02 0.00 0.00 175.30 176.07 1n20 h PRO 269 N 7.01 0.72 -0.37 3.54 0.11 -1.90 0.46 132.00 141.57 1n20 h PRO 269 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1n20 h PRO 269 Cb 1.17 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1n20 h PRO 269 CO 0.77 0.47 0.00 -0.40 -0.21 0.00 0.00 178.00 178.63 1n20 n ASP 270 N -4.59 1.80 -4.64 -2.05 5.75 -1.26 -4.95 116.55 106.60 1n20 n ASP 270 Ca 0.19 -2.05 -0.49 0.00 -0.01 0.00 0.00 54.79 52.42 1n20 n ASP 270 Cb 0.48 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.26 1n20 n ASP 270 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1n20 n MET 271 N 0.37 1.66 -3.00 0.11 1.56 0.15 -4.93 117.12 113.04 1n20 n MET 271 Ca 0.10 0.60 -0.41 0.00 -0.27 0.00 0.00 57.70 57.72 1n20 n MET 271 Cb 0.31 -2.31 -0.05 0.00 2.15 0.00 0.00 33.22 33.31 1n20 n MET 271 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1n20 s ASN 272 N 0.98 6.75 0.36 6.12 3.84 -1.26 -4.96 114.94 126.77 1n20 s ASN 272 Ca 0.83 0.92 0.06 0.00 0.21 0.00 0.00 52.86 54.88 1n20 s ASN 272 Cb -0.82 -2.39 0.73 0.00 -0.55 0.00 0.00 41.25 38.22 1n20 s ASN 272 CO 0.44 -0.40 1.96 1.55 -2.79 0.00 0.00 177.10 177.85 1n20 h PRO 273 N 7.64 0.75 -0.27 0.43 0.13 -1.99 -2.07 132.00 136.62 1n20 h PRO 273 Ca -0.27 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 1n20 h PRO 273 Cb 1.12 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 1n20 h PRO 273 CO 0.82 0.49 -0.37 -0.07 -0.23 0.00 0.00 178.00 178.64 1n20 h LEU 274 N 0.77 0.78 -0.69 1.56 3.38 -1.98 0.19 115.31 119.32 1n20 h LEU 274 Ca 0.32 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1n20 h LEU 274 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1n20 h LEU 274 CO -0.11 1.13 0.33 0.40 0.09 0.00 0.00 178.44 180.29 1n20 h ILE 275 N 0.45 1.23 -0.33 1.22 2.04 -1.90 0.11 117.51 120.33 1n20 h ILE 275 Ca 0.03 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1n20 h ILE 275 Cb 0.96 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1n20 h ILE 275 CO 0.09 0.27 0.08 0.15 0.00 0.00 0.00 178.15 178.74 1n20 h PHE 276 N 0.96 0.55 -0.57 1.37 3.57 -1.29 -0.88 116.94 120.64 1n20 h PHE 276 Ca 0.24 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1n20 h PHE 276 Cb 0.13 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1n20 h PHE 276 CO 0.01 0.56 0.32 1.49 -2.23 0.00 0.00 178.31 178.46 1n20 h GLU 277 N 0.37 0.79 -0.60 1.11 4.81 -0.48 -2.30 114.58 118.28 1n20 h GLU 277 Ca 0.10 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1n20 h GLU 277 Cb 0.29 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1n20 h GLU 277 CO 0.00 0.59 0.16 1.25 -0.73 0.00 0.00 179.01 180.29 1n20 h LEU 278 N 0.77 0.85 -0.59 1.64 5.85 -0.63 -1.65 115.31 121.55 1n20 h LEU 278 Ca 0.20 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1n20 h LEU 278 Cb 0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1n20 h LEU 278 CO -0.03 0.81 0.06 0.00 -0.34 0.00 0.00 178.44 178.94 1n20 h ALA 279 N 1.30 0.78 -0.28 1.25 0.00 -0.74 0.34 119.26 121.91 1n20 h ALA 279 Ca 0.19 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1n20 h ALA 279 Cb 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1n20 h ALA 279 CO -0.00 0.56 -0.35 0.87 0.00 0.00 0.00 179.25 180.32 1n20 h LYS 280 N 0.89 0.74 -0.23 0.00 1.57 -1.30 -0.73 116.57 117.50 1n20 h LYS 280 Ca 0.17 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1n20 h LYS 280 Cb 0.46 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1n20 h LYS 280 CO 0.02 1.04 0.13 1.25 -0.57 0.00 0.00 179.45 181.31 1n20 h LEU 281 N 0.49 0.29 -0.53 2.94 5.85 -1.19 -0.46 115.31 122.71 1n20 h LEU 281 Ca 0.04 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1n20 h LEU 281 Cb 0.94 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1n20 h LEU 281 CO 0.08 0.29 0.34 -1.13 -0.34 0.00 0.00 178.44 177.68 1n20 h ASN 282 N 0.27 0.57 -0.19 1.25 -1.24 -0.89 -0.40 115.58 114.94 1n20 h ASN 282 Ca 0.08 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.12 1n20 h ASN 282 Cb 0.07 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.95 1n20 h ASN 282 CO -0.01 0.41 -0.04 0.15 -1.29 0.00 0.00 177.43 176.65 1n20 h PHE 283 N 0.68 -0.08 -0.33 0.67 3.57 -0.76 -0.56 116.94 120.13 1n20 h PHE 283 Ca 0.20 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 1n20 h PHE 283 Cb -0.04 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1n20 h PHE 283 CO -0.05 -0.07 -0.13 -0.91 -2.23 0.00 0.00 178.31 174.92 1n20 h ASN 284 N 0.02 0.56 -0.16 0.41 2.35 -0.70 -0.92 115.58 117.14 1n20 h ASN 284 Ca 0.09 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 1n20 h ASN 284 Cb 0.14 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1n20 h ASN 284 CO -0.19 0.72 -0.17 0.40 -1.65 0.00 0.00 177.43 176.54 1n20 h ILE 285 N 0.52 1.35 -0.15 2.81 2.04 -0.79 -2.44 117.51 120.85 1n20 h ILE 285 Ca 0.09 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 1n20 h ILE 285 Cb 0.54 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1n20 h ILE 285 CO 0.03 0.40 -0.17 0.40 0.00 0.00 0.00 178.15 178.81 1n20 h ILE 286 N 0.02 1.20 -0.67 -0.67 2.04 -1.00 -1.83 117.51 116.59 1n20 h ILE 286 Ca 0.02 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 1n20 h ILE 286 Cb 0.71 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1n20 h ILE 286 CO 0.04 0.28 0.33 -0.61 0.00 0.00 0.00 178.15 178.19 1n20 h GLN 287 N 0.23 0.97 -0.31 2.37 4.15 -1.06 0.39 115.11 121.85 1n20 h GLN 287 Ca 0.04 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.34 1n20 h GLN 287 Cb 0.44 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1n20 h GLN 287 CO 0.03 0.76 0.18 0.00 -1.93 0.00 0.00 178.83 177.87 1n20 h ALA 288 N 1.15 0.39 -0.57 3.38 0.00 -0.85 -0.34 119.26 122.42 1n20 h ALA 288 Ca 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1n20 h ALA 288 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1n20 h ALA 288 CO -0.03 -0.19 0.37 1.15 0.00 0.00 0.00 179.25 180.55 1n20 h THR 289 N 0.36 1.12 -0.93 0.00 2.02 -1.01 -2.15 112.91 112.33 1n20 h THR 289 Ca 0.12 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1n20 h THR 289 Cb 0.01 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.68 1n20 h THR 289 CO -0.07 0.14 0.61 0.45 0.37 0.00 0.00 175.52 177.02 1n20 h HIS 290 N 0.75 1.13 -0.47 3.16 -0.00 -0.21 -1.18 115.15 118.33 1n20 h HIS 290 Ca 0.21 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.52 1n20 h HIS 290 Cb -0.06 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 26.95 1n20 h HIS 290 CO -0.04 0.66 -0.08 1.96 -0.00 0.00 0.00 177.93 180.43 1n20 h GLN 291 N 1.17 0.84 -0.53 2.45 4.20 -0.59 0.79 115.11 123.44 1n20 h GLN 291 Ca 0.37 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1n20 h GLN 291 Cb 0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1n20 h GLN 291 CO -0.11 0.89 0.02 0.37 -0.67 0.00 0.00 178.83 179.33 1n20 h GLN 292 N 0.76 0.91 -0.52 1.46 5.75 -0.74 0.28 115.11 123.01 1n20 h GLN 292 Ca 0.13 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1n20 h GLN 292 Cb 0.57 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1n20 h GLN 292 CO 0.04 0.92 0.29 0.93 -2.65 0.00 0.00 178.83 178.36 1n20 h GLU 293 N 0.79 0.72 -0.44 1.69 5.08 -0.87 -1.16 114.58 120.39 1n20 h GLU 293 Ca 0.15 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1n20 h GLU 293 Cb 0.49 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1n20 h GLU 293 CO 0.02 0.56 -0.04 1.25 -1.00 0.00 0.00 179.01 179.80 1n20 h LEU 294 N 0.70 0.72 -0.57 1.33 5.85 -0.56 -1.59 115.31 121.18 1n20 h LEU 294 Ca 0.18 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1n20 h LEU 294 Cb 0.04 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1n20 h LEU 294 CO -0.03 0.82 0.22 0.11 -0.34 0.00 0.00 178.44 179.22 1n20 h LYS 295 N 0.69 0.85 -0.40 1.25 1.57 -0.33 0.27 116.57 120.48 1n20 h LYS 295 Ca 0.13 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1n20 h LYS 295 Cb 0.48 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1n20 h LYS 295 CO 0.02 0.74 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.12 1n20 h ASP 296 N 0.78 0.67 -0.25 0.86 3.32 -0.93 -1.85 116.42 119.03 1n20 h ASP 296 Ca 0.19 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1n20 h ASP 296 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1n20 h ASP 296 CO -0.01 0.79 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.22 1n20 h LEU 297 N 0.63 0.44 -1.10 1.55 3.38 -0.95 -3.01 115.31 116.25 1n20 h LEU 297 Ca 0.11 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1n20 h LEU 297 Cb 0.52 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1n20 h LEU 297 CO 0.03 0.65 0.61 -1.28 0.09 0.00 0.00 178.44 178.54 1n20 h SER 298 N 0.22 1.02 -0.64 -0.43 0.87 -0.68 0.15 113.55 114.06 1n20 h SER 298 Ca 0.07 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1n20 h SER 298 Cb 0.43 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1n20 h SER 298 CO 0.01 0.72 0.42 -0.09 -0.53 0.00 0.00 176.83 177.36 1n20 h ARG 299 N 1.20 0.84 -0.14 2.24 2.43 -1.29 0.20 114.38 119.86 1n20 h ARG 299 Ca 0.35 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1n20 h ARG 299 Cb -0.05 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 1n20 h ARG 299 CO -0.09 0.56 -0.02 2.35 -1.51 0.00 0.00 179.97 181.25 1n20 h TRP 300 N 0.86 0.29 -0.39 2.20 7.01 -1.18 -2.76 115.95 121.98 1n20 h TRP 300 Ca 0.23 -0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.21 1n20 h TRP 300 Cb -0.09 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 26.86 1n20 h TRP 300 CO -0.03 0.53 0.17 2.35 -2.79 0.00 0.00 178.44 178.67 1n20 h TRP 301 N -0.04 0.32 -0.39 2.65 -0.00 -0.37 -2.02 115.95 116.09 1n20 h TRP 301 Ca 0.04 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.95 1n20 h TRP 301 Cb 0.43 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.49 1n20 h TRP 301 CO 0.05 0.15 0.25 0.77 -0.00 0.00 0.00 178.44 179.66 1n20 h SER 302 N 0.36 0.46 0.44 2.65 0.02 -0.63 -2.23 113.55 114.61 1n20 h SER 302 Ca 0.17 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 1n20 h SER 302 Cb 0.11 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1n20 h SER 302 CO -0.14 0.34 -0.56 -0.09 -1.14 0.00 0.00 176.83 175.24 1n20 h ARG 303 N 0.53 0.13 -0.02 3.45 2.43 -1.07 -3.10 114.38 116.74 1n20 h ARG 303 Ca 0.14 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1n20 h ARG 303 Cb -0.05 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1n20 h ARG 303 CO -0.03 0.65 -0.58 1.25 -1.51 0.00 0.00 179.97 179.75 1n20 h LEU 304 N 0.10 0.05 2.59 3.80 5.85 -0.99 -3.48 115.31 123.24 1n20 h LEU 304 Ca -0.00 -0.03 -0.40 0.00 0.84 0.00 0.00 57.88 58.29 1n20 h LEU 304 Cb 1.01 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1n20 h LEU 304 CO 0.08 0.62 -0.48 0.00 -0.34 0.00 0.00 178.44 178.32 1n20 h PHE 306 N 0.00 0.70 -0.88 0.00 -1.00 -1.91 -0.23 116.94 113.62 1n20 h PHE 306 Ca -0.46 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.45 1n20 h PHE 306 Cb 1.34 -0.23 -0.07 0.00 3.61 0.00 0.00 35.95 40.60 1n20 h PHE 306 CO 0.58 0.41 0.57 -1.35 -1.61 0.00 0.00 178.31 176.90 1n20 h PRO 307 N 0.74 0.82 0.04 1.51 0.11 -1.91 1.41 132.00 134.72 1n20 h PRO 307 Ca 0.24 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 66.06 1n20 h PRO 307 Cb 0.01 -0.18 0.02 0.00 0.11 0.00 0.00 31.00 30.95 1n20 h PRO 307 CO -0.09 0.54 -0.99 1.49 -0.21 0.00 0.00 178.00 178.74 1n20 h GLU 308 N 0.84 0.59 0.00 1.05 4.81 -1.86 -3.06 114.58 116.96 1n20 h GLU 308 Ca 0.42 -0.70 -0.11 0.00 -0.13 0.00 0.00 59.36 58.84 1n20 h GLU 308 Cb 0.46 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1n20 h GLU 308 CO -0.18 1.29 -1.22 0.87 -0.73 0.00 0.00 179.01 179.04 1n20 h LYS 309 N 0.20 0.00 -2.15 1.92 1.79 -0.53 -3.39 116.57 114.41 1n20 h LYS 309 Ca -0.14 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.77 1n20 h LYS 309 Cb 1.67 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.91 1n20 h LYS 309 CO 0.19 0.20 -0.81 1.28 -1.08 0.00 0.00 179.45 179.22 1n20 n LEU 310 N -2.84 2.72 0.10 2.94 4.32 0.48 -4.94 117.00 119.79 1n20 n LEU 310 Ca -0.06 -5.28 0.08 0.00 -0.02 0.00 0.00 56.01 50.73 1n20 n LEU 310 Cb 0.74 -0.13 0.38 0.00 -1.62 0.00 0.00 43.42 42.79 1n20 n LEU 310 CO 0.42 2.18 0.73 -0.81 -1.22 0.00 0.00 177.39 178.69 1n20 n PRO 311 N 0.57 0.10 -0.06 3.23 -0.04 -1.15 -1.88 135.00 135.77 1n20 n PRO 311 Ca 0.28 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.36 1n20 n PRO 311 Cb 0.47 -1.77 0.42 0.00 -0.04 0.00 0.00 33.50 32.58 1n20 n PRO 311 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1n20 n PHE 312 N -1.97 0.15 -4.20 0.54 1.16 -1.26 -4.87 117.46 107.02 1n20 n PHE 312 Ca 0.00 -0.08 -0.24 0.00 -1.87 0.00 0.00 57.45 55.26 1n20 n PHE 312 Cb 0.07 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.88 1n20 n PHE 312 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1n20 s VAL 313 N -1.85 3.89 0.27 1.97 1.01 -0.78 -4.67 120.40 120.23 1n20 s VAL 313 Ca 0.31 -1.53 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1n20 s VAL 313 Cb 0.16 -3.03 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 1n20 s VAL 313 CO 0.25 -0.24 1.14 -0.13 0.00 0.00 0.00 175.10 176.12 1n20 s ARG 314 N -3.38 4.58 -0.56 2.72 0.52 -1.26 -5.00 118.95 116.56 1n20 s ARG 314 Ca 0.30 1.87 -0.02 0.00 -0.52 0.00 0.00 55.73 57.36 1n20 s ARG 314 Cb -0.08 -3.19 0.14 0.00 0.52 0.00 0.00 34.95 32.35 1n20 s ARG 314 CO 0.21 0.10 0.36 0.34 0.02 0.00 0.00 175.30 176.33 1n20 s ASP 315 N -0.62 5.17 -0.47 0.23 2.15 -1.26 -4.67 116.67 117.20 1n20 s ASP 315 Ca 0.47 -2.64 0.08 0.00 0.43 0.00 0.00 52.55 50.88 1n20 s ASP 315 Cb -0.33 -1.83 0.38 0.00 -0.30 0.00 0.00 42.92 40.84 1n20 s ASP 315 CO 0.42 -0.41 0.96 0.54 -0.17 0.00 0.00 175.17 176.51 1n20 n ARG 316 N 3.76 2.61 -0.03 4.34 5.12 -1.26 -4.16 116.66 127.03 1n20 n ARG 316 Ca 0.05 -4.28 -0.11 0.00 -1.93 0.00 0.00 57.85 51.58 1n20 n ARG 316 Cb 0.38 -2.01 -0.06 0.00 -1.16 0.00 0.00 32.46 29.61 1n20 n ARG 316 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1n20 h LEU 317 N 2.87 0.20 -0.57 0.55 5.85 -1.95 -1.15 115.31 121.10 1n20 h LEU 317 Ca 0.14 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1n20 h LEU 317 Cb 0.80 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1n20 h LEU 317 CO 0.73 0.35 0.17 0.58 -0.34 0.00 0.00 178.44 179.93 1n20 h VAL 318 N 0.03 1.24 -0.65 1.05 2.07 -1.90 -0.76 116.25 117.33 1n20 h VAL 318 Ca 0.04 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1n20 h VAL 318 Cb 0.23 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1n20 h VAL 318 CO -0.00 0.31 0.19 -0.33 0.02 0.00 0.00 177.57 177.75 1n20 h GLU 319 N 0.81 1.01 -0.57 1.57 3.07 -1.93 0.73 114.58 119.27 1n20 h GLU 319 Ca 0.18 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 1n20 h GLU 319 Cb 0.30 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1n20 h GLU 319 CO -0.00 0.88 -0.05 0.77 -1.40 0.00 0.00 179.01 179.21 1n20 h SER 320 N 0.97 1.01 0.15 1.42 0.02 -0.93 -1.37 113.55 114.82 1n20 h SER 320 Ca 0.21 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 1n20 h SER 320 Cb 0.30 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1n20 h SER 320 CO -0.00 1.09 -0.46 0.15 -1.14 0.00 0.00 176.83 176.46 1n20 h PHE 321 N 0.93 0.46 -0.62 3.45 3.57 -0.73 -1.56 116.94 122.44 1n20 h PHE 321 Ca 0.16 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1n20 h PHE 321 Cb 0.60 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1n20 h PHE 321 CO 0.04 0.77 0.36 0.35 -2.23 0.00 0.00 178.31 177.60 1n20 h PHE 322 N 0.31 0.83 -0.77 0.41 3.57 -0.56 0.18 116.94 120.90 1n20 h PHE 322 Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1n20 h PHE 322 Cb 0.93 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1n20 h PHE 322 CO 0.03 0.58 0.45 2.35 -2.23 0.00 0.00 178.31 179.48 1n20 h TRP 323 N 0.84 1.04 -0.35 0.41 2.91 -0.86 -1.91 115.95 118.02 1n20 h TRP 323 Ca 0.22 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.15 1n20 h TRP 323 Cb 0.00 -0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 28.30 1n20 h TRP 323 CO -0.02 0.71 -0.11 0.00 -1.03 0.00 0.00 178.44 177.99 1n20 h ALA 324 N 1.24 1.15 -0.67 2.65 0.00 -0.50 -0.75 119.26 122.38 1n20 h ALA 324 Ca 0.27 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1n20 h ALA 324 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1n20 h ALA 324 CO -0.05 0.54 0.25 0.28 0.00 0.00 0.00 179.25 180.26 1n20 h VAL 325 N 0.56 1.25 -0.11 0.00 2.07 -0.03 -1.11 116.25 118.87 1n20 h VAL 325 Ca 0.10 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.69 1n20 h VAL 325 Cb 0.52 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1n20 h VAL 325 CO 0.03 0.31 -0.49 1.23 0.02 0.00 0.00 177.57 178.67 1n20 h GLY 326 N 0.96 0.32 0.63 2.17 0.00 -0.94 -3.30 103.07 102.92 1n20 h GLY 326 Ca 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1n20 h GLY 326 CO -0.01 0.31 -0.05 1.98 0.00 0.00 0.00 176.54 178.77 1n20 h MET 327 N 0.24 -0.14 -4.41 4.80 -1.53 -0.68 -3.40 114.93 109.81 1n20 h MET 327 Ca 0.01 0.01 -0.69 0.00 -3.44 0.00 0.00 59.70 55.59 1n20 h MET 327 Cb 0.96 0.03 -0.35 0.00 -0.55 0.00 0.00 31.60 31.69 1n20 h MET 327 CO 0.08 0.22 -0.54 -0.06 0.14 0.00 0.00 176.91 176.74 1n20 s PHE 328 N -4.66 3.58 -0.03 1.39 0.40 -0.46 -3.93 117.98 114.27 1n20 s PHE 328 Ca -0.15 -2.48 -0.24 0.00 -0.60 0.00 0.00 56.93 53.47 1n20 s PHE 328 Cb 0.02 -3.21 -0.22 0.00 0.51 0.00 0.00 43.02 40.13 1n20 s PHE 328 CO 0.62 -0.96 1.11 0.93 0.70 0.00 0.00 175.22 177.62 1n20 h GLU 329 N 7.93 0.19 -6.24 0.44 5.08 -1.78 -3.44 114.58 116.76 1n20 h GLU 329 Ca -0.12 -0.17 -0.69 0.00 -1.00 0.00 0.00 59.36 57.38 1n20 h GLU 329 Cb 1.04 0.04 0.06 0.00 0.50 0.00 0.00 28.75 30.39 1n20 h GLU 329 CO 0.69 0.85 0.32 -2.30 -1.00 0.00 0.00 179.01 177.57 1n20 n PRO 330 N -4.54 0.96 -0.29 2.33 -0.02 -1.26 -4.83 135.00 127.34 1n20 n PRO 330 Ca -0.09 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 1n20 n PRO 330 Cb 0.46 -1.91 0.25 0.00 -0.02 0.00 0.00 33.50 32.28 1n20 n PRO 330 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1n20 h HIS 331 N 3.90 0.69 0.00 6.00 2.76 -2.01 -1.67 115.15 124.82 1n20 h HIS 331 Ca -0.46 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1n20 h HIS 331 Cb 1.35 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1n20 h HIS 331 CO 0.57 0.09 0.00 0.00 -1.30 0.00 0.00 177.93 177.29 1n20 n GLN 332 N -4.95 0.48 -1.30 5.26 0.00 -1.26 -3.86 117.38 111.76 1n20 n GLN 332 Ca 0.18 0.05 -0.30 0.00 0.00 0.00 0.00 57.00 56.93 1n20 n GLN 332 Cb 0.51 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.30 1n20 n GLN 332 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1n20 n HIS 333 N -1.14 2.64 0.03 2.61 8.25 -0.63 -4.58 115.22 122.40 1n20 n HIS 333 Ca 0.13 -2.59 -0.01 0.00 -0.26 0.00 0.00 57.72 54.99 1n20 n HIS 333 Cb 0.12 -1.29 0.26 0.00 1.12 0.00 0.00 29.99 30.20 1n20 n HIS 333 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1n20 h GLY 334 N 2.40 0.49 0.95 -1.41 0.00 -1.80 -1.79 103.07 101.91 1n20 h GLY 334 Ca 0.51 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 1n20 h GLY 334 CO 1.31 0.32 0.08 -1.82 0.00 0.00 0.00 176.54 176.42 1n20 h TYR 335 N 0.42 0.76 -0.54 5.60 3.20 -1.94 -1.54 116.97 122.92 1n20 h TYR 335 Ca 0.07 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1n20 h TYR 335 Cb 0.52 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1n20 h TYR 335 CO 0.02 0.72 0.17 1.96 -1.64 0.00 0.00 178.16 179.39 1n20 h GLN 336 N 0.58 0.80 -0.22 1.82 7.50 -1.86 -1.14 115.11 122.58 1n20 h GLN 336 Ca 0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.12 1n20 h GLN 336 Cb 0.37 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 1n20 h GLN 336 CO 0.01 0.69 0.05 0.00 -1.50 0.00 0.00 178.83 178.08 1n20 h ARG 337 N 0.78 0.36 -0.53 1.46 3.08 -0.98 -0.97 114.38 117.57 1n20 h ARG 337 Ca 0.18 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1n20 h ARG 337 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1n20 h ARG 337 CO -0.01 0.48 0.08 0.87 -1.07 0.00 0.00 179.97 180.32 1n20 h LYS 338 N 0.18 0.83 -0.16 0.04 1.57 -1.00 -0.41 116.57 117.62 1n20 h LYS 338 Ca 0.07 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1n20 h LYS 338 Cb 0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1n20 h LYS 338 CO 0.00 0.79 -0.01 1.98 -0.57 0.00 0.00 179.45 181.64 1n20 h MET 339 N 0.79 0.29 -0.13 3.15 4.05 -1.09 -1.51 114.93 120.49 1n20 h MET 339 Ca 0.17 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1n20 h MET 339 Cb 0.37 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1n20 h MET 339 CO 0.01 0.52 0.08 0.00 0.23 0.00 0.00 176.91 177.75 1n20 h ALA 340 N 0.76 0.16 -0.97 0.39 0.00 -0.96 -1.11 119.26 117.52 1n20 h ALA 340 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1n20 h ALA 340 Cb 0.40 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1n20 h ALA 340 CO 0.01 -0.34 0.64 0.00 0.00 0.00 0.00 179.25 179.55 1n20 h ALA 341 N 1.03 1.38 -0.08 0.00 0.00 -1.06 0.59 119.26 121.12 1n20 h ALA 341 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1n20 h ALA 341 Cb -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1n20 h ALA 341 CO -0.01 0.52 0.02 1.15 0.00 0.00 0.00 179.25 180.93 1n20 h THR 342 N 1.22 1.20 -0.33 0.00 2.02 -0.78 0.32 112.91 116.56 1n20 h THR 342 Ca 0.39 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 1n20 h THR 342 Cb 0.02 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1n20 h THR 342 CO -0.12 0.17 -0.16 0.40 0.37 0.00 0.00 175.52 176.18 1n20 h ILE 343 N -0.09 1.25 -0.22 3.11 2.04 -0.90 -1.06 117.51 121.63 1n20 h ILE 343 Ca 0.02 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1n20 h ILE 343 Cb 0.25 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1n20 h ILE 343 CO 0.00 0.38 -0.06 0.40 0.00 0.00 0.00 178.15 178.87 1n20 h ILE 344 N 0.53 1.29 -0.39 -0.67 2.04 -0.72 0.15 117.51 119.73 1n20 h ILE 344 Ca 0.09 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1n20 h ILE 344 Cb 0.58 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1n20 h ILE 344 CO 0.04 0.32 -0.05 1.62 0.00 0.00 0.00 178.15 180.08 1n20 h VAL 345 N 0.16 1.23 -0.11 1.67 3.04 -0.76 -0.93 116.25 120.56 1n20 h VAL 345 Ca 0.06 -0.99 -0.23 0.00 -1.01 0.00 0.00 66.70 64.53 1n20 h VAL 345 Cb 0.52 1.00 0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1n20 h VAL 345 CO 0.02 0.34 -0.83 -0.07 -1.01 0.00 0.00 177.57 176.02 1n20 h LEU 346 N 0.61 0.84 -1.25 3.16 3.38 -1.10 -3.04 115.31 117.91 1n20 h LEU 346 Ca 0.12 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1n20 h LEU 346 Cb 0.46 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1n20 h LEU 346 CO 0.02 1.37 0.07 0.00 0.09 0.00 0.00 178.44 180.00 1n20 h ALA 347 N 0.60 1.40 -0.73 1.53 0.00 -0.37 -0.63 119.26 121.06 1n20 h ALA 347 Ca -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1n20 h ALA 347 Cb 1.45 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1n20 h ALA 347 CO 0.16 0.43 0.31 1.15 0.00 0.00 0.00 179.25 181.30 1n20 h THR 348 N 0.57 1.25 -0.21 0.00 2.02 -1.13 0.12 112.91 115.53 1n20 h THR 348 Ca 0.13 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 1n20 h THR 348 Cb 0.25 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1n20 h THR 348 CO 0.00 0.31 -0.18 0.58 0.37 0.00 0.00 175.52 176.59 1n20 h VAL 349 N 1.04 1.32 -0.89 3.16 2.07 -1.29 -2.40 116.25 119.26 1n20 h VAL 349 Ca 0.24 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1n20 h VAL 349 Cb 0.18 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1n20 h VAL 349 CO -0.02 0.41 0.51 0.40 0.02 0.00 0.00 177.57 178.88 1n20 h ILE 350 N 0.17 1.25 -0.77 4.57 2.04 -0.90 -2.40 117.51 121.47 1n20 h ILE 350 Ca 0.04 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1n20 h ILE 350 Cb 0.72 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1n20 h ILE 350 CO 0.05 0.28 0.51 -0.78 0.00 0.00 0.00 178.15 178.20 1n20 h ASP 351 N 1.23 0.89 -0.23 1.72 3.58 -0.68 -2.01 116.42 120.92 1n20 h ASP 351 Ca 0.31 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.67 1n20 h ASP 351 Cb -0.01 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1n20 h ASP 351 CO -0.05 0.64 -0.08 0.44 -2.88 0.00 0.00 179.24 177.31 1n20 h ASP 352 N 1.05 0.57 -0.30 2.28 3.32 -0.98 0.57 116.42 122.94 1n20 h ASP 352 Ca 0.28 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1n20 h ASP 352 Cb -0.12 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1n20 h ASP 352 CO -0.06 0.69 -0.16 0.40 -1.72 0.00 0.00 179.24 178.40 1n20 h ILE 353 N 0.55 1.26 0.01 0.35 2.04 -0.96 -0.92 117.51 119.85 1n20 h ILE 353 Ca 0.11 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 1n20 h ILE 353 Cb 0.47 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1n20 h ILE 353 CO 0.03 0.41 -0.01 1.88 0.00 0.00 0.00 178.15 180.46 1n20 h TYR 354 N 0.66 -0.02 -0.13 1.37 -1.99 -0.83 0.15 116.97 116.18 1n20 h TYR 354 Ca 0.11 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1n20 h TYR 354 Cb 0.64 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1n20 h TYR 354 CO 0.03 0.76 0.00 -0.40 -0.00 0.00 0.00 178.16 178.55 1n20 n ASP 355 N -4.70 2.27 0.06 3.88 5.68 0.14 -4.70 116.55 119.18 1n20 n ASP 355 Ca -0.09 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 1n20 n ASP 355 Cb 0.38 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1n20 n ASP 355 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1n20 n VAL 356 N 0.74 0.33 -0.09 2.12 0.31 -0.45 -4.68 118.33 116.62 1n20 n VAL 356 Ca 0.17 0.11 -0.22 0.00 -0.01 0.00 0.00 64.34 64.39 1n20 n VAL 356 Cb 0.45 -1.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.26 1n20 n VAL 356 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n20 n TYR 357 N -3.17 1.01 -1.59 3.52 9.36 -0.62 -3.92 117.16 121.75 1n20 n TYR 357 Ca 0.00 0.40 -0.32 0.00 3.32 0.00 0.00 57.90 61.30 1n20 n TYR 357 Cb 0.10 -1.11 0.05 0.00 -0.63 0.00 0.00 39.34 37.76 1n20 n TYR 357 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1n20 s GLY 358 N -4.98 1.81 0.36 2.98 0.00 0.52 -4.68 107.32 103.32 1n20 s GLY 358 Ca -0.28 0.25 -0.04 0.00 0.00 0.00 0.00 44.72 44.64 1n20 s GLY 358 CO 0.61 0.57 0.63 -0.51 0.00 0.00 0.00 173.10 174.40 1n20 s THR 359 N -2.82 4.99 0.28 0.90 -4.23 -1.26 -4.89 115.64 108.61 1n20 s THR 359 Ca 0.61 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.16 1n20 s THR 359 Cb -0.16 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.16 1n20 s THR 359 CO 0.50 -0.51 1.80 0.25 -0.54 0.00 0.00 174.62 176.12 1n20 h LEU 360 N 1.12 0.76 -0.40 4.79 5.85 -1.96 0.12 115.31 125.57 1n20 h LEU 360 Ca -0.48 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1n20 h LEU 360 Cb 1.20 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1n20 h LEU 360 CO 0.64 0.36 0.16 0.44 -0.34 0.00 0.00 178.44 179.70 1n20 h ASP 361 N 0.82 0.55 -0.43 1.25 3.32 -2.00 -0.65 116.42 119.29 1n20 h ASP 361 Ca 0.49 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1n20 h ASP 361 Cb 0.60 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1n20 h ASP 361 CO -0.31 0.57 0.10 -0.33 -1.72 0.00 0.00 179.24 177.54 1n20 h GLU 362 N 0.51 0.69 -0.08 3.56 5.08 -1.66 -2.57 114.58 120.11 1n20 h GLU 362 Ca 0.13 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1n20 h GLU 362 Cb 0.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1n20 h GLU 362 CO -0.01 0.70 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.63 1n20 h LEU 363 N 0.56 0.10 -0.12 1.33 3.38 -0.61 0.52 115.31 120.46 1n20 h LEU 363 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1n20 h LEU 363 Cb 0.33 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n20 h LEU 363 CO 0.00 0.12 -0.05 -0.08 0.09 0.00 0.00 178.44 178.52 1n20 h GLU 364 N 0.11 0.25 -0.63 1.13 4.81 -0.73 -0.10 114.58 119.42 1n20 h GLU 364 Ca 0.03 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1n20 h GLU 364 Cb 0.08 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1n20 h GLU 364 CO 0.00 0.59 0.05 -0.07 -0.73 0.00 0.00 179.01 178.85 1n20 h LEU 365 N -0.09 1.04 -0.25 1.64 3.38 -1.12 -1.65 115.31 118.26 1n20 h LEU 365 Ca 0.03 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1n20 h LEU 365 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1n20 h LEU 365 CO 0.02 1.06 0.16 0.15 0.09 0.00 0.00 178.44 179.91 1n20 h PHE 366 N 0.99 0.31 -0.26 1.13 3.57 -0.84 -0.26 116.94 121.58 1n20 h PHE 366 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1n20 h PHE 366 Cb 0.50 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1n20 h PHE 366 CO 0.04 0.19 0.17 1.15 -2.23 0.00 0.00 178.31 177.63 1n20 h THR 367 N 0.33 1.07 -0.71 4.41 2.02 -0.83 -2.60 112.91 116.60 1n20 h THR 367 Ca 0.09 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1n20 h THR 367 Cb -0.03 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1n20 h THR 367 CO -0.02 0.07 0.44 -0.78 0.37 0.00 0.00 175.52 175.60 1n20 h ASP 368 N 0.35 0.83 -0.67 4.18 1.82 -1.01 -2.11 116.42 119.81 1n20 h ASP 368 Ca 0.10 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 1n20 h ASP 368 Cb -0.04 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 39.74 1n20 h ASP 368 CO -0.02 0.62 0.18 0.74 -1.61 0.00 0.00 179.24 179.15 1n20 h THR 369 N 0.97 1.26 -0.43 2.25 2.02 -0.69 -1.19 112.91 117.10 1n20 h THR 369 Ca 0.26 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 1n20 h THR 369 Cb -0.07 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1n20 h THR 369 CO -0.05 0.35 0.10 -0.26 0.37 0.00 0.00 175.52 176.03 1n20 h PHE 370 N 0.99 0.73 -0.73 3.16 -1.00 -1.09 0.26 116.94 119.26 1n20 h PHE 370 Ca 0.21 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1n20 h PHE 370 Cb 0.34 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 1n20 h PHE 370 CO 0.03 0.68 0.36 0.87 -1.61 0.00 0.00 178.31 178.64 1n20 h LYS 371 N 0.56 1.04 -0.01 1.51 1.57 -1.17 -2.35 116.57 117.71 1n20 h LYS 371 Ca 0.13 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1n20 h LYS 371 Cb 0.33 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1n20 h LYS 371 CO 0.00 0.79 -0.82 0.00 -0.57 0.00 0.00 179.45 178.86 1n20 h ARG 372 N 1.03 0.19 -6.42 3.15 3.08 -1.02 -3.47 114.38 110.93 1n20 h ARG 372 Ca 0.25 -0.19 -0.49 0.00 0.07 0.00 0.00 59.98 59.62 1n20 h ARG 372 Cb 0.09 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 1n20 h ARG 372 CO -0.03 0.90 -0.79 1.87 -1.07 0.00 0.00 179.97 180.85 1n20 n TRP 373 N -3.69 -2.08 -2.71 3.04 -0.00 0.90 -4.95 117.44 107.95 1n20 n TRP 373 Ca -0.03 0.86 0.00 0.00 -0.00 0.00 0.00 57.50 58.33 1n20 n TRP 373 Cb 0.77 -3.73 0.00 0.00 -0.00 0.00 0.00 31.31 28.35 1n20 n TRP 373 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1n20 n ASP 374 N -2.82 0.41 0.00 5.87 5.75 -1.25 -5.06 116.55 119.45 1n20 n ASP 374 Ca -0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1n20 n ASP 374 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1n20 n ASP 374 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1n20 n THR 375 N -0.40 0.00 -0.09 2.12 -2.24 -1.26 -4.82 114.28 107.59 1n20 n THR 375 Ca 0.00 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 1n20 n THR 375 Cb 0.00 1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 1n20 n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n20 n GLU 376 N -0.12 0.86 0.07 -0.78 1.02 -1.26 -4.41 120.64 116.02 1n20 n GLU 376 Ca 0.00 0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 1n20 n GLU 376 Cb 0.07 -1.39 0.37 0.00 -0.02 0.00 0.00 31.44 30.46 1n20 n GLU 376 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1n20 n SER 377 N -2.89 0.31 -0.20 1.62 3.41 -1.26 -2.93 113.62 111.68 1n20 n SER 377 Ca -0.31 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 58.87 1n20 n SER 377 Cb 0.92 -0.65 0.21 0.00 -0.26 0.00 0.00 64.21 64.43 1n20 n SER 377 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1n20 h ILE 378 N 0.00 1.21 0.00 -1.33 2.10 -1.88 -2.75 117.51 114.86 1n20 h ILE 378 Ca 0.00 -0.54 -0.00 0.00 1.08 0.00 0.00 64.86 65.39 1n20 h ILE 378 Cb 0.24 0.28 -0.00 0.00 -1.09 0.00 0.00 36.82 36.25 1n20 h ILE 378 CO 0.00 0.24 -0.01 0.71 -1.08 0.00 0.00 178.15 178.01 1n20 h THR 379 N 0.97 0.15 0.00 2.19 1.35 -1.82 -1.31 112.91 114.45 1n20 h THR 379 Ca 0.25 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1n20 h THR 379 Cb 0.04 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1n20 h THR 379 CO -0.04 0.01 -0.00 0.54 -0.25 0.00 0.00 175.52 175.78 1n20 n ARG 380 N -3.27 0.25 -2.58 4.72 1.74 -1.04 -4.87 116.66 111.60 1n20 n ARG 380 Ca -0.02 0.20 -0.31 0.00 -0.77 0.00 0.00 57.85 56.95 1n20 n ARG 380 Cb 0.12 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 1n20 n ARG 380 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1n20 s LEU 381 N -4.43 3.70 0.63 0.55 1.43 -0.49 -5.04 118.68 115.02 1n20 s LEU 381 Ca 0.11 1.34 -0.17 0.00 -1.03 0.00 0.00 54.13 54.38 1n20 s LEU 381 Cb 0.13 -4.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.07 1n20 s LEU 381 CO 0.59 -0.52 1.15 -2.16 0.23 0.00 0.00 176.35 175.65 1n20 s PRO 382 N -4.05 2.85 0.23 1.29 0.04 -1.26 -4.74 135.00 129.37 1n20 s PRO 382 Ca 0.55 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 1n20 s PRO 382 Cb -0.10 -1.94 0.30 0.00 0.04 0.00 0.00 34.50 32.80 1n20 s PRO 382 CO 0.33 -1.25 1.62 -0.92 0.04 0.00 0.00 177.00 176.82 1n20 h TYR 383 N 0.45 -0.33 -0.52 0.56 3.20 -1.96 -1.05 116.97 117.32 1n20 h TYR 383 Ca -0.49 0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.52 1n20 h TYR 383 Cb 1.27 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.77 1n20 h TYR 383 CO 0.51 -0.30 0.35 0.10 -1.64 0.00 0.00 178.16 177.18 1n20 h TYR 384 N 0.01 0.42 0.03 -3.82 -0.00 -1.92 -1.18 116.97 110.51 1n20 h TYR 384 Ca 0.35 0.01 -0.22 0.00 0.00 0.00 0.00 58.73 58.87 1n20 h TYR 384 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 36.73 37.12 1n20 h TYR 384 CO -0.55 0.22 -1.00 0.52 -0.00 0.00 0.00 178.16 177.34 1n20 h MET 385 N 0.41 0.12 -0.31 0.10 2.86 -1.57 -2.40 114.93 114.14 1n20 h MET 385 Ca 0.23 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1n20 h MET 385 Cb 0.39 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1n20 h MET 385 CO -0.06 1.02 0.20 1.96 1.06 0.00 0.00 176.91 181.09 1n20 h GLN 386 N 0.05 0.41 -0.03 1.72 4.20 -0.55 0.12 115.11 121.03 1n20 h GLN 386 Ca -0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1n20 h GLN 386 Cb 1.71 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.39 1n20 h GLN 386 CO 0.15 0.28 0.02 1.25 -0.67 0.00 0.00 178.83 179.85 1n20 h LEU 387 N 0.42 0.04 -0.49 1.46 5.85 -1.35 -0.30 115.31 120.93 1n20 h LEU 387 Ca 0.11 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1n20 h LEU 387 Cb -0.04 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1n20 h LEU 387 CO -0.02 0.10 0.18 0.00 -0.34 0.00 0.00 178.44 178.36 1n20 h TYR 389 N 0.66 0.34 -0.51 0.00 3.20 -0.70 -2.23 116.97 117.73 1n20 h TYR 389 Ca 0.16 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1n20 h TYR 389 Cb 0.22 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1n20 h TYR 389 CO 0.01 0.43 0.01 2.35 -1.64 0.00 0.00 178.16 179.32 1n20 h TRP 390 N 0.15 0.90 -0.62 -3.82 -0.00 -0.93 -0.46 115.95 111.17 1n20 h TRP 390 Ca 0.06 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.89 58.79 1n20 h TRP 390 Cb 0.26 -0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 29.15 1n20 h TRP 390 CO 0.01 0.82 0.25 0.78 -0.00 0.00 0.00 178.44 180.30 1n20 h GLY 391 N 0.98 0.98 0.83 2.65 0.00 -1.08 -0.91 103.07 106.54 1n20 h GLY 391 Ca 0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1n20 h GLY 391 CO 0.02 0.50 -0.02 -2.08 0.00 0.00 0.00 176.54 174.96 1n20 h VAL 392 N 0.86 1.27 -0.88 4.60 2.07 -1.11 -1.94 116.25 121.11 1n20 h VAL 392 Ca 0.21 -0.96 0.12 0.00 0.82 0.00 0.00 66.70 66.89 1n20 h VAL 392 Cb 0.19 1.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 1n20 h VAL 392 CO -0.02 0.30 0.51 -0.74 0.02 0.00 0.00 177.57 177.64 1n20 h HIS 393 N 0.18 0.92 -0.29 1.57 -0.00 -0.91 -0.81 115.15 115.80 1n20 h HIS 393 Ca 0.06 0.03 -0.15 0.00 -0.00 0.00 0.00 60.37 60.31 1n20 h HIS 393 Cb 0.45 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1n20 h HIS 393 CO 0.04 0.33 -0.43 -0.91 -0.00 0.00 0.00 177.93 176.96 1n20 h ASN 394 N 0.80 0.78 -0.23 3.26 2.35 -0.97 -1.26 115.58 120.30 1n20 h ASN 394 Ca 0.45 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1n20 h ASN 394 Cb 0.50 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1n20 h ASN 394 CO -0.29 1.10 0.02 0.22 -1.65 0.00 0.00 177.43 176.83 1n20 h TYR 395 N 0.59 0.43 -0.71 1.19 3.20 -0.51 0.38 116.97 121.54 1n20 h TYR 395 Ca 0.04 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1n20 h TYR 395 Cb 0.98 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 1n20 h TYR 395 CO 0.05 0.55 0.44 0.82 -1.64 0.00 0.00 178.16 178.38 1n20 h ILE 396 N 0.19 1.08 -0.91 1.81 1.08 -1.15 0.34 117.51 119.96 1n20 h ILE 396 Ca 0.07 -0.29 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 1n20 h ILE 396 Cb 0.36 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 1n20 h ILE 396 CO 0.01 0.16 0.50 0.28 -0.69 0.00 0.00 178.15 178.41 1n20 h SER 397 N 0.85 1.13 -0.30 1.72 0.02 -0.95 -1.40 113.55 114.63 1n20 h SER 397 Ca 0.29 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1n20 h SER 397 Cb 0.04 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1n20 h SER 397 CO -0.12 0.90 0.13 0.44 -1.14 0.00 0.00 176.83 177.05 1n20 h ASP 398 N 1.26 0.40 -0.58 3.07 3.32 0.24 -1.58 116.42 122.54 1n20 h ASP 398 Ca 0.32 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1n20 h ASP 398 Cb 0.02 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1n20 h ASP 398 CO -0.05 0.42 0.37 0.00 -1.72 0.00 0.00 179.24 178.26 1n20 h ALA 399 N 0.99 0.74 -0.40 3.45 0.00 -0.65 -0.72 119.26 122.66 1n20 h ALA 399 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n20 h ALA 399 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1n20 h ALA 399 CO -0.01 0.14 0.26 0.00 0.00 0.00 0.00 179.25 179.64 1n20 h ALA 400 N 1.23 1.75 0.01 0.00 0.00 -1.03 -1.36 119.26 119.85 1n20 h ALA 400 Ca 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1n20 h ALA 400 Cb -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1n20 h ALA 400 CO -0.06 0.22 -0.00 -0.92 0.00 0.00 0.00 179.25 178.49 1n20 h TYR 401 N 0.51 -0.01 -0.58 0.00 3.20 -0.16 -1.75 116.97 118.19 1n20 h TYR 401 Ca 0.15 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1n20 h TYR 401 Cb -0.02 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.20 1n20 h TYR 401 CO -0.00 0.33 0.26 -0.44 -1.64 0.00 0.00 178.16 176.67 1n20 h ASP 402 N -0.35 0.32 -0.56 -2.11 3.32 -0.58 0.95 116.42 117.42 1n20 h ASP 402 Ca -0.00 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1n20 h ASP 402 Cb 0.34 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1n20 h ASP 402 CO 0.00 0.21 0.05 0.40 -1.72 0.00 0.00 179.24 178.18 1n20 h ILE 403 N 0.48 1.26 -0.54 0.35 2.04 -1.28 0.22 117.51 120.03 1n20 h ILE 403 Ca 0.28 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 1n20 h ILE 403 Cb 0.26 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1n20 h ILE 403 CO -0.23 0.39 0.01 0.25 0.00 0.00 0.00 178.15 178.56 1n20 h LEU 404 N 0.92 0.93 -0.27 1.44 5.85 -0.62 0.24 115.31 123.80 1n20 h LEU 404 Ca 0.18 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 1n20 h LEU 404 Cb 0.47 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1n20 h LEU 404 CO 0.02 1.00 -0.02 0.50 -0.34 0.00 0.00 178.44 179.60 1n20 h LYS 405 N 0.83 0.49 0.13 1.25 3.11 -0.56 -0.36 116.57 121.46 1n20 h LYS 405 Ca 0.16 -0.17 -0.18 0.00 -2.81 0.00 0.00 60.65 57.65 1n20 h LYS 405 Cb 0.52 -0.04 0.02 0.00 -1.00 0.00 0.00 32.23 31.73 1n20 h LYS 405 CO 0.03 0.67 -0.77 0.93 -2.81 0.00 0.00 179.45 177.49 1n20 h GLU 406 N 0.26 0.29 -0.22 1.90 4.39 -0.90 -3.39 114.58 116.91 1n20 h GLU 406 Ca 0.07 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1n20 h GLU 406 Cb 0.46 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1n20 h GLU 406 CO 0.02 1.23 0.00 0.72 -1.16 0.00 0.00 179.01 179.82 1n20 n HIS 407 N -4.15 0.29 -1.73 4.33 8.25 0.85 -4.99 115.22 118.07 1n20 n HIS 407 Ca -0.13 -0.38 -0.20 0.00 -0.26 0.00 0.00 57.72 56.75 1n20 n HIS 407 Cb 0.80 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.82 1n20 n HIS 407 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n20 n GLY 408 N 0.37 1.40 3.24 -1.41 0.00 -0.14 -4.96 105.19 103.69 1n20 n GLY 408 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1n20 n GLY 408 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n20 s PHE 409 N -2.72 2.23 -0.44 1.61 5.36 -1.25 -4.97 117.98 117.79 1n20 s PHE 409 Ca 0.00 -0.62 -0.14 0.00 -0.96 0.00 0.00 56.93 55.20 1n20 s PHE 409 Cb 0.00 -1.46 0.05 0.00 -0.34 0.00 0.00 43.02 41.27 1n20 s PHE 409 CO 0.00 -0.18 0.34 0.12 -1.46 0.00 0.00 175.22 174.04 1n20 s PHE 410 N -0.18 3.25 -0.62 10.12 5.36 -1.26 -2.99 117.98 131.66 1n20 s PHE 410 Ca -0.02 -0.88 0.15 0.00 -0.96 0.00 0.00 56.93 55.23 1n20 s PHE 410 Cb -0.13 -2.91 0.55 0.00 -0.34 0.00 0.00 43.02 40.20 1n20 s PHE 410 CO 0.03 -0.72 1.47 0.00 -1.46 0.00 0.00 175.22 174.53 1n20 h LEU 412 N 2.68 -0.18 -1.62 0.00 5.85 -1.92 -0.19 115.31 119.92 1n20 h LEU 412 Ca 0.00 0.19 0.12 0.00 0.84 0.00 0.00 57.88 59.03 1n20 h LEU 412 Cb 1.32 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 1n20 h LEU 412 CO 0.20 -0.15 0.45 0.06 -0.34 0.00 0.00 178.44 178.66 1n20 h GLN 413 N 0.16 0.39 0.16 1.25 3.07 -2.00 0.07 115.11 118.21 1n20 h GLN 413 Ca 0.46 -0.02 -0.31 0.00 0.09 0.00 0.00 58.65 58.87 1n20 h GLN 413 Cb 0.84 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.32 1n20 h GLN 413 CO -0.64 0.26 -1.44 1.88 0.09 0.00 0.00 178.83 178.98 1n20 h TYR 414 N 0.40 0.61 -0.74 0.06 -1.99 -1.43 -2.91 116.97 110.98 1n20 h TYR 414 Ca 0.32 -0.44 -0.01 0.00 2.00 0.00 0.00 58.73 60.59 1n20 h TYR 414 Cb 0.69 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.36 1n20 h TYR 414 CO -0.00 1.41 0.40 -0.07 -0.00 0.00 0.00 178.16 179.91 1n20 h LEU 415 N 0.09 0.91 -0.82 3.88 3.38 -0.77 -1.28 115.31 120.71 1n20 h LEU 415 Ca -0.22 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1n20 h LEU 415 Cb 2.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 1n20 h LEU 415 CO 0.20 0.74 0.11 0.03 0.09 0.00 0.00 178.44 179.61 1n20 h ARG 416 N 1.03 0.99 -0.64 1.13 3.08 -1.04 -2.54 114.38 116.39 1n20 h ARG 416 Ca 0.26 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1n20 h ARG 416 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1n20 h ARG 416 CO -0.04 0.91 0.05 -0.22 -1.07 0.00 0.00 179.97 179.60 1n20 h LYS 417 N 0.94 1.10 -0.62 0.04 3.64 -1.15 0.26 116.57 120.78 1n20 h LYS 417 Ca 0.19 -0.32 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1n20 h LYS 417 Cb 0.39 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1n20 h LYS 417 CO 0.01 1.04 0.31 0.77 -2.27 0.00 0.00 179.45 179.31 1n20 h SER 418 N 1.01 0.44 -0.06 4.20 0.02 -0.96 0.19 113.55 118.39 1n20 h SER 418 Ca 0.19 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1n20 h SER 418 Cb 0.51 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1n20 h SER 418 CO 0.02 0.28 -0.24 0.58 -1.14 0.00 0.00 176.83 176.34 1n20 h VAL 419 N 0.58 1.43 -0.53 2.27 2.07 -1.05 -3.11 116.25 117.91 1n20 h VAL 419 Ca 0.28 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1n20 h VAL 419 Cb 0.22 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1n20 h VAL 419 CO -0.20 0.46 0.34 0.58 0.02 0.00 0.00 177.57 178.77 1n20 h VAL 420 N -0.24 1.14 -0.92 2.57 2.07 -0.27 -1.61 116.25 119.00 1n20 h VAL 420 Ca -0.01 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1n20 h VAL 420 Cb 0.88 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1n20 h VAL 420 CO 0.05 0.14 0.61 0.44 0.02 0.00 0.00 177.57 178.83 1n20 h ASP 421 N 0.72 1.00 0.27 0.57 3.32 -1.06 0.27 116.42 121.52 1n20 h ASP 421 Ca 0.19 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1n20 h ASP 421 Cb -0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.26 1n20 h ASP 421 CO -0.04 0.69 -0.13 0.25 -1.72 0.00 0.00 179.24 178.29 1n20 h LEU 422 N 1.16 -0.31 -1.24 1.55 5.85 -1.34 -2.10 115.31 118.89 1n20 h LEU 422 Ca 0.37 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1n20 h LEU 422 Cb 0.01 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1n20 h LEU 422 CO -0.11 -0.05 -0.08 -0.37 -0.34 0.00 0.00 178.44 177.49 1n20 h VAL 423 N -0.57 1.20 -0.22 1.05 -1.51 -1.02 -1.35 116.25 113.83 1n20 h VAL 423 Ca -0.04 -0.86 -0.07 0.00 -1.23 0.00 0.00 66.70 64.51 1n20 h VAL 423 Cb 0.42 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 1n20 h VAL 423 CO 0.06 0.28 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.18 1n20 h GLU 424 N 0.40 0.37 -0.18 5.19 5.08 -0.88 0.11 114.58 124.67 1n20 h GLU 424 Ca 0.08 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1n20 h GLU 424 Cb 0.39 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1n20 h GLU 424 CO 0.02 0.55 -0.58 0.00 -1.00 0.00 0.00 179.01 178.00 1n20 h ALA 425 N 1.48 0.66 -0.45 3.43 0.00 -0.65 -1.67 119.26 122.06 1n20 h ALA 425 Ca 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1n20 h ALA 425 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1n20 h ALA 425 CO 0.03 0.70 0.13 1.88 0.00 0.00 0.00 179.25 181.99 1n20 h TYR 426 N 0.43 0.72 -0.81 0.00 0.99 -0.56 -1.22 116.97 116.52 1n20 h TYR 426 Ca 0.00 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 1n20 h TYR 426 Cb 1.13 -0.21 -0.04 0.00 1.00 0.00 0.00 36.73 38.62 1n20 h TYR 426 CO 0.05 0.65 0.41 0.35 -0.00 0.00 0.00 178.16 179.62 1n20 h PHE 427 N 0.58 1.15 -0.24 4.88 3.57 -0.70 0.16 116.94 126.34 1n20 h PHE 427 Ca 0.14 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1n20 h PHE 427 Cb 0.28 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1n20 h PHE 427 CO 0.01 0.83 0.10 1.25 -2.23 0.00 0.00 178.31 178.28 1n20 h HIS 428 N 1.14 0.19 -0.64 0.41 2.76 -0.99 0.10 115.15 118.12 1n20 h HIS 428 Ca 0.28 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1n20 h HIS 428 Cb 0.09 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 1n20 h HIS 428 CO 0.01 0.10 0.22 0.93 -1.30 0.00 0.00 177.93 177.90 1n20 h GLU 429 N 0.23 0.95 -0.79 5.26 5.08 -0.81 -2.03 114.58 122.46 1n20 h GLU 429 Ca 0.10 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1n20 h GLU 429 Cb 0.04 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1n20 h GLU 429 CO -0.08 0.80 0.31 0.00 -1.00 0.00 0.00 179.01 179.03 1n20 h ALA 430 N 1.32 1.02 -0.65 3.43 0.00 -0.01 0.50 119.26 124.87 1n20 h ALA 430 Ca 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n20 h ALA 430 Cb 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1n20 h ALA 430 CO -0.01 0.66 0.24 0.87 0.00 0.00 0.00 179.25 181.00 1n20 h LYS 431 N 1.15 0.99 -0.17 0.00 1.57 -0.43 -0.84 116.57 118.84 1n20 h LYS 431 Ca 0.26 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1n20 h LYS 431 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1n20 h LYS 431 CO -0.02 0.84 0.08 -1.49 -0.57 0.00 0.00 179.45 178.29 1n20 h TRP 432 N 0.93 0.24 0.23 -1.35 6.55 -0.96 -1.87 115.95 119.71 1n20 h TRP 432 Ca 0.21 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.04 1n20 h TRP 432 Cb 0.24 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1n20 h TRP 432 CO 0.02 0.25 -0.19 -0.92 -1.05 0.00 0.00 178.44 176.55 1n20 h TYR 433 N 0.15 -0.50 0.00 0.49 3.20 -0.65 -1.51 116.97 118.15 1n20 h TYR 433 Ca 0.06 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1n20 h TYR 433 Cb 0.10 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1n20 h TYR 433 CO -0.03 -0.29 -0.13 0.45 -1.64 0.00 0.00 178.16 176.52 1n20 h HIS 434 N -0.44 0.00 0.00 -3.82 3.86 -1.14 -2.30 115.15 111.31 1n20 h HIS 434 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1n20 h HIS 434 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1n20 h HIS 434 CO -0.13 0.13 -0.68 -1.13 0.86 0.00 0.00 177.93 176.97 1n20 n SER 435 N -3.51 0.67 0.00 2.45 3.41 -0.71 -4.94 113.62 111.00 1n20 n SER 435 Ca -0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1n20 n SER 435 Cb 0.28 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1n20 n SER 435 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n20 n GLY 436 N 1.35 0.55 3.77 5.00 0.00 -0.64 -5.03 105.19 110.20 1n20 n GLY 436 Ca 0.03 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1n20 n GLY 436 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n20 s TYR 437 N -2.00 3.47 -0.27 1.61 5.04 -0.78 -5.03 117.35 119.40 1n20 s TYR 437 Ca 0.00 1.68 0.02 0.00 -2.44 0.00 0.00 57.07 56.34 1n20 s TYR 437 Cb 0.00 -3.24 0.06 0.00 0.35 0.00 0.00 41.96 39.13 1n20 s TYR 437 CO 0.00 -0.59 -0.09 0.99 -1.34 0.00 0.00 175.55 174.52 1n20 s THR 438 N -1.31 2.28 0.83 4.34 2.01 -1.26 -4.64 115.64 117.90 1n20 s THR 438 Ca 0.49 -1.62 -0.11 0.00 0.31 0.00 0.00 61.69 60.76 1n20 s THR 438 Cb -0.29 -2.35 0.09 0.00 0.01 0.00 0.00 72.50 69.97 1n20 s THR 438 CO 0.37 -0.05 1.09 -2.84 -0.69 0.00 0.00 174.62 172.50 1n20 s PRO 439 N 1.12 1.76 0.75 4.92 0.02 -1.26 -5.02 135.00 137.28 1n20 s PRO 439 Ca -0.08 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 61.88 1n20 s PRO 439 Cb -0.20 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.51 1n20 s PRO 439 CO -0.05 -1.96 1.08 -1.54 -0.33 0.00 0.00 177.00 174.21 1n20 s SER 440 N -3.35 4.94 0.15 2.53 1.04 -1.26 -4.75 113.70 113.00 1n20 s SER 440 Ca 0.62 1.36 -0.20 0.00 0.48 0.00 0.00 55.95 58.21 1n20 s SER 440 Cb -0.18 -2.16 0.04 0.00 0.10 0.00 0.00 66.02 63.82 1n20 s SER 440 CO 0.57 -1.69 1.66 0.25 0.98 0.00 0.00 173.24 175.01 1n20 h LEU 441 N -0.89 -0.50 -1.39 2.42 5.85 -1.94 0.27 115.31 119.13 1n20 h LEU 441 Ca -0.46 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1n20 h LEU 441 Cb 1.25 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1n20 h LEU 441 CO 0.59 -0.19 -0.06 0.44 -0.34 0.00 0.00 178.44 178.89 1n20 h ASP 442 N -0.12 0.31 0.43 1.25 3.32 -1.96 0.29 116.42 119.93 1n20 h ASP 442 Ca 0.14 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1n20 h ASP 442 Cb 0.34 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1n20 h ASP 442 CO -0.35 0.41 -0.64 -0.08 -1.72 0.00 0.00 179.24 176.87 1n20 h GLU 443 N 0.32 0.20 0.21 3.56 4.81 -1.73 -2.33 114.58 119.62 1n20 h GLU 443 Ca 0.07 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1n20 h GLU 443 Cb 0.31 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1n20 h GLU 443 CO 0.01 0.77 -0.10 -0.92 -0.73 0.00 0.00 179.01 178.04 1n20 h TYR 444 N 0.14 -0.26 0.00 0.92 3.20 -0.01 -3.25 116.97 117.72 1n20 h TYR 444 Ca -0.01 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1n20 h TYR 444 Cb 1.15 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 1n20 h TYR 444 CO 0.02 0.14 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.58 1n20 h LEU 445 N -0.79 0.00 -1.68 2.82 3.38 -1.02 0.55 115.31 118.57 1n20 h LEU 445 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1n20 h LEU 445 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1n20 h LEU 445 CO 0.05 0.03 -0.16 -1.13 0.09 0.00 0.00 178.44 177.31 1n20 h ASN 446 N 0.00 0.00 0.02 -0.43 -1.24 -1.44 -1.80 115.58 110.69 1n20 h ASN 446 Ca -0.00 0.00 -0.39 0.00 0.71 0.00 0.00 56.30 56.62 1n20 h ASN 446 Cb 0.05 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.04 1n20 h ASN 446 CO 0.00 0.16 -2.23 -0.38 -1.29 0.00 0.00 177.43 173.70 1n20 n ILE 447 N -4.33 1.56 0.32 2.57 2.08 -0.44 -4.45 119.36 116.68 1n20 n ILE 447 Ca -0.02 -0.44 0.20 0.00 0.56 0.00 0.00 62.75 63.05 1n20 n ILE 447 Cb 0.23 -1.73 1.10 0.00 -0.75 0.00 0.00 39.64 38.50 1n20 n ILE 447 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n20 h ALA 448 N -0.40 1.21 0.00 -1.39 0.00 0.08 0.11 119.26 118.88 1n20 h ALA 448 Ca -0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1n20 h ALA 448 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1n20 h ALA 448 CO -0.19 -0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.41 1n20 n LYS 449 N -3.38 0.11 -0.13 0.00 2.85 -0.68 -2.11 118.16 114.82 1n20 n LYS 449 Ca -0.03 0.13 -0.21 0.00 -1.05 0.00 0.00 58.31 57.15 1n20 n LYS 449 Cb 0.08 -1.64 -0.11 0.00 -0.65 0.00 0.00 35.03 32.71 1n20 n LYS 449 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n20 n ILE 450 N -1.83 1.46 0.30 0.58 2.08 0.26 -4.35 119.36 117.86 1n20 n ILE 450 Ca 0.06 -0.51 0.19 0.00 0.56 0.00 0.00 62.75 63.05 1n20 n ILE 450 Cb 0.35 -1.53 0.91 0.00 -0.75 0.00 0.00 39.64 38.62 1n20 n ILE 450 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1n20 h SER 451 N -0.27 0.00 0.50 4.38 4.64 -1.23 -0.91 113.55 120.66 1n20 h SER 451 Ca -0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1n20 h SER 451 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1n20 h SER 451 CO -0.18 0.02 0.00 0.55 -0.87 0.00 0.00 176.83 176.35 1n20 n VAL 452 N -3.16 0.49 -0.84 0.95 3.14 -0.90 -4.90 118.33 113.11 1n20 n VAL 452 Ca -0.01 0.12 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 1n20 n VAL 452 Cb 0.20 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.20 1n20 n VAL 452 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n20 n ALA 453 N -1.37 0.00 -0.18 1.55 0.00 -0.35 -4.92 120.51 115.24 1n20 n ALA 453 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 1n20 n ALA 453 Cb 0.19 -0.31 0.09 0.00 0.00 0.00 0.00 19.45 19.42 1n20 n ALA 453 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1n20 h SER 454 N 0.00 -0.00 -0.28 0.00 0.02 -1.80 -0.40 113.55 111.09 1n20 h SER 454 Ca 0.00 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1n20 h SER 454 Cb 0.00 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1n20 h SER 454 CO 0.00 0.01 -0.12 -0.65 -1.14 0.00 0.00 176.83 174.93 1n20 h PRO 455 N 0.25 0.70 0.00 3.45 0.11 -1.81 -1.03 132.00 133.66 1n20 h PRO 455 Ca 0.29 -0.23 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1n20 h PRO 455 Cb 0.42 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1n20 h PRO 455 CO -0.38 0.80 -0.21 0.00 -0.21 0.00 0.00 178.00 178.01 1n20 h ALA 456 N 1.23 1.38 0.13 -0.75 0.00 -1.53 -0.82 119.26 118.90 1n20 h ALA 456 Ca 0.11 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 1n20 h ALA 456 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1n20 h ALA 456 CO 0.04 0.26 -1.91 0.82 0.00 0.00 0.00 179.25 178.46 1n20 h ILE 457 N 0.00 0.73 0.02 0.00 2.04 -0.86 -3.39 117.51 116.05 1n20 h ILE 457 Ca -0.00 -2.42 -0.00 0.00 1.00 0.00 0.00 64.86 63.44 1n20 h ILE 457 Cb 0.45 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1n20 h ILE 457 CO 0.03 0.87 -0.01 0.40 0.00 0.00 0.00 178.15 179.44 1n20 h ILE 458 N 0.08 1.43 -0.90 -0.67 2.04 -1.06 -3.35 117.51 115.08 1n20 h ILE 458 Ca -0.39 -1.44 0.10 0.00 1.00 0.00 0.00 64.86 64.13 1n20 h ILE 458 Cb 2.05 2.39 -0.08 0.00 -0.74 0.00 0.00 36.82 40.45 1n20 h ILE 458 CO 0.11 0.37 0.54 0.77 0.00 0.00 0.00 178.15 179.94 1n20 h SER 459 N -0.66 0.80 0.02 1.72 4.64 -1.37 -2.05 113.55 116.65 1n20 h SER 459 Ca -0.00 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1n20 h SER 459 Cb 0.62 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1n20 h SER 459 CO 0.00 0.45 -0.13 -0.65 -0.87 0.00 0.00 176.83 175.63 1n20 h PRO 460 N 0.90 0.24 0.00 4.77 0.11 -1.75 -2.46 132.00 133.81 1n20 h PRO 460 Ca 0.43 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.47 1n20 h PRO 460 Cb 0.38 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1n20 h PRO 460 CO -0.24 0.38 -0.07 1.79 -0.21 0.00 0.00 178.00 179.65 1n20 h THR 461 N 0.23 0.24 -0.67 -1.15 1.35 -1.50 -2.97 112.91 108.44 1n20 h THR 461 Ca 0.05 -0.53 0.13 0.00 -0.55 0.00 0.00 66.41 65.51 1n20 h THR 461 Cb 0.38 1.42 -0.10 0.00 -1.73 0.00 0.00 68.15 68.12 1n20 h THR 461 CO 0.02 0.07 0.16 0.22 -0.25 0.00 0.00 175.52 175.74 1n20 h TYR 462 N 0.00 0.25 0.00 4.73 3.20 -1.40 -0.97 116.97 122.78 1n20 h TYR 462 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1n20 h TYR 462 Cb 0.41 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1n20 h TYR 462 CO 0.00 -0.04 0.00 1.19 -1.64 0.00 0.00 178.16 177.67 1n20 n PHE 463 N -5.13 0.00 1.17 -3.82 3.01 -1.12 -3.00 117.46 108.57 1n20 n PHE 463 Ca 0.11 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.70 1n20 n PHE 463 Cb 0.38 -0.36 0.39 0.00 -0.01 0.00 0.00 39.48 39.88 1n20 n PHE 463 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n20 n THR 464 N -1.36 0.00 -3.34 4.37 -2.24 -0.37 -4.85 114.28 106.49 1n20 n THR 464 Ca 0.07 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 1n20 n THR 464 Cb 0.17 0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1n20 n THR 464 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1n20 s PHE 465 N -2.71 3.46 0.50 4.78 0.40 -1.16 -4.97 117.98 118.28 1n20 s PHE 465 Ca 0.20 0.79 0.23 0.00 -0.60 0.00 0.00 56.93 57.54 1n20 s PHE 465 Cb 0.19 -2.54 1.30 0.00 0.51 0.00 0.00 43.02 42.48 1n20 s PHE 465 CO 0.58 0.10 1.95 0.00 0.70 0.00 0.00 175.22 178.55 1n20 h ALA 466 N 6.96 2.44 -0.40 5.36 0.00 -1.91 -0.84 119.26 130.86 1n20 h ALA 466 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1n20 h ALA 466 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n20 h ALA 466 CO 0.75 -0.63 0.00 0.27 0.00 0.00 0.00 179.25 179.64 1n20 n ASN 467 N -4.39 2.70 -4.74 0.00 6.94 -1.26 -4.94 115.26 109.57 1n20 n ASN 467 Ca 0.13 -2.15 -0.41 0.00 -0.02 0.00 0.00 54.58 52.13 1n20 n ASN 467 Cb 0.65 -0.38 -0.04 0.00 -2.36 0.00 0.00 39.78 37.65 1n20 n ASN 467 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n20 s ALA 468 N -1.60 3.35 0.34 -2.53 0.00 -0.32 -4.82 121.76 116.18 1n20 s ALA 468 Ca 0.29 0.76 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 1n20 s ALA 468 Cb 0.17 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1n20 s ALA 468 CO 0.17 -0.11 1.11 0.45 0.00 0.00 0.00 175.76 177.38 1n20 s SER 469 N -0.36 6.96 0.00 0.00 0.15 -1.26 -4.94 113.70 114.24 1n20 s SER 469 Ca 0.47 2.26 0.25 0.00 0.70 0.00 0.00 55.95 59.62 1n20 s SER 469 Cb -0.28 -2.62 0.33 0.00 -1.71 0.00 0.00 66.02 61.74 1n20 s SER 469 CO 0.35 -0.36 1.33 1.41 1.20 0.00 0.00 173.24 177.16 1n20 n HIS 470 N 0.63 0.00 -2.10 3.44 8.25 -1.26 -4.80 115.22 119.38 1n20 n HIS 470 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 1n20 n HIS 470 Cb 0.46 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 1n20 n HIS 470 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1n20 s ASP 471 N -2.10 6.75 0.46 0.41 -1.08 -1.26 -4.90 116.67 114.95 1n20 s ASP 471 Ca 0.28 2.29 0.21 0.00 -0.52 0.00 0.00 52.55 54.81 1n20 s ASP 471 Cb 0.20 -2.57 1.19 0.00 -1.46 0.00 0.00 42.92 40.28 1n20 s ASP 471 CO 0.36 -0.77 1.90 0.74 0.52 0.00 0.00 175.17 177.92 1n20 h THR 472 N 4.74 0.70 -0.46 1.71 2.02 -1.99 -1.80 112.91 117.83 1n20 h THR 472 Ca -0.40 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 66.55 1n20 h THR 472 Cb 1.19 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1n20 h THR 472 CO 0.91 0.05 -0.22 0.00 0.37 0.00 0.00 175.52 176.62 1n20 h ALA 473 N 1.63 0.73 -0.17 6.16 0.00 -1.99 -1.07 119.26 124.54 1n20 h ALA 473 Ca 0.39 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1n20 h ALA 473 Cb 1.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n20 h ALA 473 CO -0.10 0.67 -0.11 0.28 0.00 0.00 0.00 179.25 179.99 1n20 h VAL 474 N 0.82 1.32 -0.76 0.00 2.07 -1.74 -2.02 116.25 115.94 1n20 h VAL 474 Ca 0.11 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1n20 h VAL 474 Cb 0.79 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1n20 h VAL 474 CO 0.07 0.36 0.39 0.40 0.02 0.00 0.00 177.57 178.81 1n20 h ILE 475 N 0.05 1.23 -0.23 4.57 2.04 -1.39 -1.14 117.51 122.64 1n20 h ILE 475 Ca 0.04 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 1n20 h ILE 475 Cb 0.61 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1n20 h ILE 475 CO 0.03 0.27 -0.26 0.44 0.00 0.00 0.00 178.15 178.63 1n20 h ASP 476 N 1.08 0.45 -0.36 1.72 3.32 -1.16 -0.81 116.42 120.65 1n20 h ASP 476 Ca 0.27 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1n20 h ASP 476 Cb 0.07 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1n20 h ASP 476 CO -0.04 0.71 0.20 -1.28 -1.72 0.00 0.00 179.24 177.11 1n20 h SER 477 N 0.40 0.44 -0.35 6.45 0.87 -0.52 0.25 113.55 121.09 1n20 h SER 477 Ca 0.06 -0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1n20 h SER 477 Cb 0.67 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1n20 h SER 477 CO 0.05 0.40 0.20 0.25 -0.53 0.00 0.00 176.83 177.20 1n20 h LEU 478 N 0.45 0.32 -0.00 2.23 5.85 -0.74 -2.96 115.31 120.46 1n20 h LEU 478 Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1n20 h LEU 478 Cb 0.05 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1n20 h LEU 478 CO -0.02 0.23 0.00 -1.22 -0.34 0.00 0.00 178.44 177.09 1n20 n TYR 479 N -4.90 0.02 0.30 1.25 4.02 -0.36 -1.88 117.16 115.61 1n20 n TYR 479 Ca 0.00 0.01 0.16 0.00 -0.01 0.00 0.00 57.90 58.06 1n20 n TYR 479 Cb 0.06 -0.51 0.93 0.00 -0.02 0.00 0.00 39.34 39.80 1n20 n TYR 479 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1n20 h GLN 480 N 0.00 0.00 -1.88 -0.72 5.75 -0.35 -3.44 115.11 114.47 1n20 h GLN 480 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1n20 h GLN 480 Cb 0.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1n20 h GLN 480 CO 0.00 0.02 0.00 0.66 -2.65 0.00 0.00 178.83 176.86 1n20 n TYR 481 N -3.68 0.00 -1.35 3.99 0.53 -0.79 -5.03 117.16 110.83 1n20 n TYR 481 Ca -0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.48 1n20 n TYR 481 Cb 0.11 -0.94 0.05 0.00 -1.03 0.00 0.00 39.34 37.53 1n20 n TYR 481 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42 1n20 n HIS 482 N -0.30 -0.94 -0.34 -0.72 -0.00 -0.93 -4.56 115.22 107.43 1n20 n HIS 482 Ca 0.00 0.39 0.21 0.00 -0.00 0.00 0.00 57.72 58.31 1n20 n HIS 482 Cb 0.00 -1.91 0.43 0.00 -0.00 0.00 0.00 29.99 28.51 1n20 n HIS 482 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1n20 h ASP 483 N -0.09 0.60 -0.76 0.26 3.45 -1.94 -1.26 116.42 116.69 1n20 h ASP 483 Ca -0.45 0.16 0.02 0.00 0.43 0.00 0.00 57.03 57.19 1n20 h ASP 483 Cb 1.38 0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 40.19 1n20 h ASP 483 CO 0.44 -0.01 0.49 0.40 -1.57 0.00 0.00 179.24 178.99 1n20 h ILE 484 N 0.46 1.15 -0.21 0.35 2.04 -1.95 0.32 117.51 119.66 1n20 h ILE 484 Ca 0.69 -0.33 -0.20 0.00 1.00 0.00 0.00 64.86 66.01 1n20 h ILE 484 Cb 1.45 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1n20 h ILE 484 CO -0.54 0.18 -0.66 -0.07 0.00 0.00 0.00 178.15 177.06 1n20 h LEU 485 N 0.98 0.91 -0.39 1.44 3.38 -1.57 -1.61 115.31 118.43 1n20 h LEU 485 Ca 0.29 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1n20 h LEU 485 Cb -0.04 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1n20 h LEU 485 CO -0.09 1.33 0.15 0.00 0.09 0.00 0.00 178.44 179.91 1n20 h LEU 487 N 0.49 0.73 -1.86 0.00 3.38 -0.37 -0.53 115.31 117.16 1n20 h LEU 487 Ca 0.13 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1n20 h LEU 487 Cb 0.21 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1n20 h LEU 487 CO -0.01 0.77 -0.12 0.00 0.09 0.00 0.00 178.44 179.17 1n20 h ALA 488 N 1.32 1.62 -0.11 1.53 0.00 -0.99 0.18 119.26 122.80 1n20 h ALA 488 Ca 0.15 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1n20 h ALA 488 Cb 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n20 h ALA 488 CO 0.01 0.15 -0.54 0.78 0.00 0.00 0.00 179.25 179.65 1n20 h GLY 489 N 0.47 0.62 0.84 0.00 0.00 -0.33 -2.85 103.07 101.82 1n20 h GLY 489 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1n20 h GLY 489 CO 0.02 0.78 -0.09 -2.22 0.00 0.00 0.00 176.54 175.03 1n20 h ILE 490 N 0.18 0.89 -0.20 2.60 1.08 -0.11 0.34 117.51 122.29 1n20 h ILE 490 Ca -0.04 -0.34 0.06 0.00 -0.39 0.00 0.00 64.86 64.15 1n20 h ILE 490 Cb 1.18 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 1n20 h ILE 490 CO 0.11 0.08 0.15 0.40 -0.69 0.00 0.00 178.15 178.20 1n20 h ILE 491 N -0.41 0.85 0.17 -0.67 2.04 -0.77 -1.37 117.51 117.35 1n20 h ILE 491 Ca -0.03 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.53 1n20 h ILE 491 Cb 0.32 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1n20 h ILE 491 CO 0.04 0.00 -1.47 0.25 0.00 0.00 0.00 178.15 176.98 1n20 h LEU 492 N 0.00 0.56 -0.46 1.44 5.85 -1.35 -3.37 115.31 117.98 1n20 h LEU 492 Ca 0.10 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.91 1n20 h LEU 492 Cb 0.40 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1n20 h LEU 492 CO -0.00 1.67 0.29 -0.09 -0.34 0.00 0.00 178.44 179.97 1n20 h ARG 493 N -0.09 0.62 0.49 1.25 9.65 -0.25 -2.08 114.38 123.98 1n20 h ARG 493 Ca -0.29 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.52 1n20 h ARG 493 Cb 1.94 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 30.39 1n20 h ARG 493 CO 0.15 0.43 -0.24 -0.07 2.80 0.00 0.00 179.97 183.04 1n20 h LEU 494 N 0.62 -0.56 -1.06 3.80 3.38 -1.46 0.09 115.31 120.13 1n20 h LEU 494 Ca 0.17 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1n20 h LEU 494 Cb -0.04 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1n20 h LEU 494 CO -0.03 -0.40 0.64 -0.65 0.09 0.00 0.00 178.44 178.09 1n20 h PRO 495 N -0.67 1.26 -0.22 1.13 0.11 -1.72 -1.69 132.00 130.20 1n20 h PRO 495 Ca -0.07 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 65.98 1n20 h PRO 495 Cb 0.51 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1n20 h PRO 495 CO 0.11 0.83 0.13 0.22 -0.21 0.00 0.00 178.00 179.08 1n20 h ASP 496 N 1.29 0.21 -0.70 -2.05 1.82 -1.17 0.92 116.42 116.74 1n20 h ASP 496 Ca 0.36 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.97 1n20 h ASP 496 Cb -0.13 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 39.80 1n20 h ASP 496 CO -0.08 0.15 0.31 0.44 -1.61 0.00 0.00 179.24 178.45 1n20 h ASP 497 N 0.27 0.94 -0.78 2.28 5.19 -0.58 0.39 116.42 124.13 1n20 h ASP 497 Ca 0.09 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1n20 h ASP 497 Cb -0.00 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.23 1n20 h ASP 497 CO -0.04 0.83 0.47 -0.07 -3.12 0.00 0.00 179.24 177.31 1n20 h LEU 498 N 0.99 0.94 0.00 1.55 4.07 -0.93 -1.89 115.31 120.03 1n20 h LEU 498 Ca 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1n20 h LEU 498 Cb 0.16 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1n20 h LEU 498 CO -0.03 0.72 -0.51 1.23 -1.08 0.00 0.00 178.44 178.78 1n20 h GLY 499 N 1.07 0.00 0.00 0.83 0.00 -0.25 -3.41 103.07 101.31 1n20 h GLY 499 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1n20 h GLY 499 CO -0.05 0.00 -0.27 -1.30 0.00 0.00 0.00 176.54 174.92 1n20 n THR 500 N -2.79 0.00 0.03 4.70 -2.24 0.13 -2.69 114.28 111.42 1n20 n THR 500 Ca 0.02 -0.32 0.16 0.00 -2.27 0.00 0.00 64.05 61.64 1n20 n THR 500 Cb 0.53 0.84 0.63 0.00 -2.10 0.00 0.00 70.33 70.23 1n20 n THR 500 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1n20 h SER 501 N 0.00 0.10 0.33 3.42 4.64 -1.50 -2.16 113.55 118.38 1n20 h SER 501 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1n20 h SER 501 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1n20 h SER 501 CO 0.00 0.06 -0.18 0.22 -0.87 0.00 0.00 176.83 176.06 1n20 h TYR 502 N 0.11 -0.46 -0.14 4.77 3.20 -1.85 -0.12 116.97 122.48 1n20 h TYR 502 Ca 0.21 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.90 1n20 h TYR 502 Cb 0.69 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1n20 h TYR 502 CO -0.00 -0.28 -0.62 0.74 -1.64 0.00 0.00 178.16 176.36 1n20 h PHE 503 N -0.47 0.64 -0.34 -3.82 -1.00 -1.86 -3.05 116.94 107.03 1n20 h PHE 503 Ca -0.04 -0.24 -0.02 0.00 2.81 0.00 0.00 57.97 60.48 1n20 h PHE 503 Cb 0.37 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1n20 h PHE 503 CO -0.07 0.98 0.14 0.93 -1.61 0.00 0.00 178.31 178.69 1n20 h GLU 504 N 0.37 0.50 -0.35 1.51 5.08 -1.30 -2.97 114.58 117.41 1n20 h GLU 504 Ca -0.01 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1n20 h GLU 504 Cb 1.17 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1n20 h GLU 504 CO 0.11 0.48 0.12 1.25 -1.00 0.00 0.00 179.01 179.97 1n20 h LEU 505 N 0.40 0.12 -0.37 1.33 5.85 -1.05 0.39 115.31 121.98 1n20 h LEU 505 Ca 0.11 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1n20 h LEU 505 Cb 0.17 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.14 1n20 h LEU 505 CO -0.01 0.11 -0.42 0.00 -0.34 0.00 0.00 178.44 177.78 1n20 h ALA 506 N 1.22 -0.42 -0.06 1.25 0.00 -1.41 -0.96 119.26 118.87 1n20 h ALA 506 Ca 0.16 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n20 h ALA 506 Cb 0.13 0.86 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1n20 h ALA 506 CO -0.16 -0.86 0.00 2.89 0.00 0.00 0.00 179.25 181.12 1n20 n ARG 507 N -5.42 1.59 -0.14 0.00 -4.01 -1.14 -5.01 116.66 102.54 1n20 n ARG 507 Ca -0.01 -0.88 0.00 0.00 -1.04 0.00 0.00 57.85 55.93 1n20 n ARG 507 Cb 0.35 -1.44 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 1n20 n ARG 507 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1n20 n GLY 508 N 1.12 -0.22 3.81 2.89 0.00 0.12 -4.89 105.19 108.02 1n20 n GLY 508 Ca 0.18 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 1n20 n GLY 508 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n20 s ASP 509 N -0.05 -0.15 0.36 1.61 2.15 -1.22 -4.80 116.67 114.58 1n20 s ASP 509 Ca 0.00 -0.59 -0.28 0.00 0.43 0.00 0.00 52.55 52.11 1n20 s ASP 509 Cb 0.00 0.60 -0.11 0.00 -0.30 0.00 0.00 42.92 43.11 1n20 s ASP 509 CO 0.00 -1.13 1.49 -0.69 -0.17 0.00 0.00 175.17 174.67 1n20 s VAL 510 N -3.17 2.12 0.13 1.11 1.01 -1.26 -4.87 120.40 115.45 1n20 s VAL 510 Ca 0.14 0.11 -0.35 0.00 0.00 0.00 0.00 61.98 61.88 1n20 s VAL 510 Cb -0.03 -3.07 -0.15 0.00 0.00 0.00 0.00 36.38 33.13 1n20 s VAL 510 CO 0.05 0.03 1.50 -2.65 0.00 0.00 0.00 175.10 174.03 1n20 n PRO 511 N 0.81 1.79 -2.09 2.72 -0.02 -1.26 -4.95 135.00 131.99 1n20 n PRO 511 Ca 0.02 0.65 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 1n20 n PRO 511 Cb 0.39 -2.37 0.09 0.00 -0.02 0.00 0.00 33.50 31.58 1n20 n PRO 511 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1n20 n LYS 512 N 3.18 0.12 -0.34 -0.52 4.76 -1.26 -4.73 118.16 119.38 1n20 n LYS 512 Ca 0.18 -2.03 -0.10 0.00 -2.87 0.00 0.00 58.31 53.48 1n20 n LYS 512 Cb 0.25 -0.47 -0.09 0.00 -1.84 0.00 0.00 35.03 32.88 1n20 n LYS 512 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1n20 h THR 513 N -0.50 0.00 -0.01 -0.18 2.02 -1.92 -0.10 112.91 112.21 1n20 h THR 513 Ca -0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1n20 h THR 513 Cb 0.91 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1n20 h THR 513 CO 0.26 0.00 -0.24 0.40 0.37 0.00 0.00 175.52 176.31 1n20 h ILE 514 N -0.06 0.44 -0.17 3.11 1.08 -1.93 -1.12 117.51 118.87 1n20 h ILE 514 Ca 0.13 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 1n20 h ILE 514 Cb 0.40 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 34.53 1n20 h ILE 514 CO -0.80 0.00 -0.17 -0.61 -0.69 0.00 0.00 178.15 175.88 1n20 h GLN 515 N -0.37 -0.19 -0.58 2.37 4.15 -1.77 0.29 115.11 119.00 1n20 h GLN 515 Ca 0.07 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 1n20 h GLN 515 Cb 0.46 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1n20 h GLN 515 CO -0.23 -0.13 0.25 0.00 -1.93 0.00 0.00 178.83 176.80 1n20 h TYR 517 N 0.82 0.31 -0.51 0.00 3.20 -0.69 -2.79 116.97 117.31 1n20 h TYR 517 Ca 0.20 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1n20 h TYR 517 Cb 0.13 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1n20 h TYR 517 CO 0.01 0.72 0.23 0.52 -1.64 0.00 0.00 178.16 177.99 1n20 h MET 518 N -0.19 0.72 0.00 1.82 2.86 -0.83 -1.75 114.93 117.56 1n20 h MET 518 Ca 0.01 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1n20 h MET 518 Cb 0.68 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1n20 h MET 518 CO 0.03 0.57 -0.11 -0.22 1.06 0.00 0.00 176.91 178.24 1n20 h LYS 519 N 0.72 0.00 0.00 1.72 3.64 -1.40 0.20 116.57 121.45 1n20 h LYS 519 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1n20 h LYS 519 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1n20 h LYS 519 CO -0.02 0.11 -1.00 -1.91 -2.27 0.00 0.00 179.45 174.36 1n20 n GLU 520 N -3.18 0.32 0.00 1.90 2.13 -0.85 -4.49 120.64 116.48 1n20 n GLU 520 Ca 0.02 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1n20 n GLU 520 Cb 0.47 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1n20 n GLU 520 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1n20 n THR 521 N -2.03 0.05 -1.36 6.31 -2.24 -0.72 -4.99 114.28 109.30 1n20 n THR 521 Ca 0.02 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1n20 n THR 521 Cb 0.45 1.58 -0.06 0.00 -2.10 0.00 0.00 70.33 70.20 1n20 n THR 521 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1n20 n ASN 522 N -0.02 -4.30 -4.77 3.42 3.02 0.71 -4.92 115.26 108.40 1n20 n ASN 522 Ca 0.00 0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.57 1n20 n ASN 522 Cb 0.22 -3.69 0.08 0.00 -0.61 0.00 0.00 39.78 35.78 1n20 n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n20 s ALA 523 N -2.11 2.29 0.63 5.41 0.00 -1.24 -5.02 121.76 121.72 1n20 s ALA 523 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1n20 s ALA 523 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1n20 s ALA 523 CO 0.00 -1.66 1.04 -1.54 0.00 0.00 0.00 175.76 173.59 1n20 s SER 524 N -3.15 6.14 0.45 0.00 1.04 -1.26 -4.73 113.70 112.19 1n20 s SER 524 Ca 0.63 1.38 0.12 0.00 0.48 0.00 0.00 55.95 58.57 1n20 s SER 524 Cb -0.18 -2.41 1.03 0.00 0.10 0.00 0.00 66.02 64.56 1n20 s SER 524 CO 0.52 -0.92 2.04 -0.08 0.98 0.00 0.00 173.24 175.78 1n20 h GLU 525 N -0.36 0.36 -0.35 4.02 4.81 -1.98 0.23 114.58 121.31 1n20 h GLU 525 Ca -0.44 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 58.68 1n20 h GLU 525 Cb 1.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1n20 h GLU 525 CO 0.62 0.24 -0.14 0.93 -0.73 0.00 0.00 179.01 179.93 1n20 h GLU 526 N 0.37 0.71 -0.09 1.92 3.07 -2.00 -1.24 114.58 117.33 1n20 h GLU 526 Ca 0.18 -0.30 -0.11 0.00 -0.50 0.00 0.00 59.36 58.64 1n20 h GLU 526 Cb 0.26 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1n20 h GLU 526 CO -0.04 0.90 -0.43 0.93 -1.40 0.00 0.00 179.01 178.96 1n20 h GLU 527 N 0.50 0.20 -0.11 2.33 5.08 -1.59 -2.16 114.58 118.82 1n20 h GLU 527 Ca 0.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1n20 h GLU 527 Cb 0.67 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1n20 h GLU 527 CO 0.05 0.60 -0.01 0.00 -1.00 0.00 0.00 179.01 178.64 1n20 h ALA 528 N 1.40 0.15 -0.78 3.43 0.00 -0.37 -1.09 119.26 121.99 1n20 h ALA 528 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1n20 h ALA 528 Cb 0.83 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1n20 h ALA 528 CO 0.06 -0.14 0.50 0.28 0.00 0.00 0.00 179.25 179.95 1n20 h VAL 529 N -0.10 1.21 -0.15 0.00 2.07 -1.14 -0.77 116.25 117.36 1n20 h VAL 529 Ca 0.03 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1n20 h VAL 529 Cb 0.39 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1n20 h VAL 529 CO 0.01 0.21 -0.22 -0.08 0.02 0.00 0.00 177.57 177.51 1n20 h GLU 530 N 1.06 0.27 -0.26 1.57 4.57 -1.31 -1.69 114.58 118.78 1n20 h GLU 530 Ca 0.28 -0.08 -0.18 0.00 -1.18 0.00 0.00 59.36 58.20 1n20 h GLU 530 Cb -0.09 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1n20 h GLU 530 CO -0.06 0.48 -0.54 1.25 -1.18 0.00 0.00 179.01 178.96 1n20 h HIS 531 N 0.24 0.97 -0.74 0.92 2.76 -0.45 -2.55 115.15 116.31 1n20 h HIS 531 Ca 0.04 -0.34 -0.05 0.00 -2.20 0.00 0.00 60.37 57.82 1n20 h HIS 531 Cb 0.53 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 1n20 h HIS 531 CO 0.01 1.14 0.26 0.28 -1.30 0.00 0.00 177.93 178.32 1n20 h VAL 532 N 0.60 1.26 -0.57 5.26 2.07 -0.68 -0.19 116.25 123.98 1n20 h VAL 532 Ca 0.01 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1n20 h VAL 532 Cb 1.13 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1n20 h VAL 532 CO 0.12 0.34 0.27 0.11 0.02 0.00 0.00 177.57 178.42 1n20 h LYS 533 N 1.08 0.81 0.01 1.57 1.57 -1.21 -0.54 116.57 119.86 1n20 h LYS 533 Ca 0.24 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1n20 h LYS 533 Cb 0.26 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1n20 h LYS 533 CO -0.01 0.64 -0.00 0.35 -0.57 0.00 0.00 179.45 179.85 1n20 h PHE 534 N 0.81 -0.01 -0.98 -1.35 3.57 -0.93 -2.62 116.94 115.43 1n20 h PHE 534 Ca 0.20 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.78 1n20 h PHE 534 Cb 0.10 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1n20 h PHE 534 CO 0.01 0.27 0.63 -0.07 -2.23 0.00 0.00 178.31 176.92 1n20 h LEU 535 N -0.29 0.96 -0.58 0.59 3.38 -0.52 -0.02 115.31 118.83 1n20 h LEU 535 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1n20 h LEU 535 Cb 0.28 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1n20 h LEU 535 CO 0.00 0.58 0.28 0.40 0.09 0.00 0.00 178.44 179.79 1n20 h ILE 536 N 1.07 1.21 -0.60 1.22 2.04 -1.01 0.64 117.51 122.08 1n20 h ILE 536 Ca 0.44 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1n20 h ILE 536 Cb 0.30 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 1n20 h ILE 536 CO -0.19 0.24 0.07 0.03 0.00 0.00 0.00 178.15 178.30 1n20 h ARG 537 N 0.79 1.01 -0.46 2.37 3.08 -0.96 -1.45 114.38 118.76 1n20 h ARG 537 Ca 0.20 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1n20 h ARG 537 Cb 0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1n20 h ARG 537 CO -0.02 0.96 -0.06 1.49 -1.07 0.00 0.00 179.97 181.27 1n20 h GLU 538 N 0.91 0.79 -0.64 0.04 4.57 -0.56 -1.18 114.58 118.50 1n20 h GLU 538 Ca 0.18 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1n20 h GLU 538 Cb 0.46 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1n20 h GLU 538 CO 0.02 0.84 0.05 0.00 -1.18 0.00 0.00 179.01 178.73 1n20 h ALA 539 N 1.20 0.86 -0.28 2.92 0.00 0.68 -1.62 119.26 123.02 1n20 h ALA 539 Ca 0.13 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1n20 h ALA 539 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1n20 h ALA 539 CO 0.03 0.68 -0.36 -1.49 0.00 0.00 0.00 179.25 178.10 1n20 h TRP 540 N 1.02 0.75 -0.53 0.00 4.06 -0.96 -0.15 115.95 120.14 1n20 h TRP 540 Ca 0.19 -0.21 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 1n20 h TRP 540 Cb 0.51 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.48 1n20 h TRP 540 CO 0.04 0.91 0.32 -0.22 -3.56 0.00 0.00 178.44 175.93 1n20 h LYS 541 N 0.53 0.73 -0.53 0.49 3.64 -0.98 0.18 116.57 120.63 1n20 h LYS 541 Ca 0.05 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1n20 h LYS 541 Cb 0.87 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1n20 h LYS 541 CO 0.08 0.53 0.20 -0.44 -2.27 0.00 0.00 179.45 177.55 1n20 h ASP 542 N 0.71 0.74 -0.57 4.20 3.32 -1.00 -1.30 116.42 122.52 1n20 h ASP 542 Ca 0.19 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1n20 h ASP 542 Cb -0.00 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1n20 h ASP 542 CO -0.03 0.72 0.34 -0.03 -1.72 0.00 0.00 179.24 178.52 1n20 h MET 543 N 0.72 0.78 -0.79 3.56 4.05 -0.45 0.43 114.93 123.22 1n20 h MET 543 Ca 0.17 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1n20 h MET 543 Cb 0.22 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 1n20 h MET 543 CO -0.01 0.56 0.52 -0.91 0.23 0.00 0.00 176.91 177.31 1n20 h ASN 544 N 0.77 0.90 -0.11 1.39 2.35 -0.44 -0.47 115.58 119.96 1n20 h ASN 544 Ca 0.20 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1n20 h ASN 544 Cb -0.01 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1n20 h ASN 544 CO -0.04 0.64 -0.04 0.74 -1.65 0.00 0.00 177.43 177.08 1n20 h THR 545 N 1.06 1.31 -0.75 2.81 2.02 -0.60 -1.25 112.91 117.50 1n20 h THR 545 Ca 0.30 -1.03 0.04 0.00 0.77 0.00 0.00 66.41 66.49 1n20 h THR 545 Cb -0.10 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.02 1n20 h THR 545 CO -0.07 0.29 0.46 0.00 0.37 0.00 0.00 175.52 176.57 1n20 h ALA 546 N 0.67 0.99 -0.42 6.16 0.00 0.07 0.09 119.26 126.82 1n20 h ALA 546 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1n20 h ALA 546 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1n20 h ALA 546 CO 0.01 0.22 -0.19 0.82 0.00 0.00 0.00 179.25 180.12 1n20 h ILE 547 N 0.88 1.28 -0.13 0.00 2.04 -1.05 -2.96 117.51 117.57 1n20 h ILE 547 Ca 0.31 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 1n20 h ILE 547 Cb 0.08 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1n20 h ILE 547 CO -0.13 0.45 -0.19 0.00 0.00 0.00 0.00 178.15 178.28 1n20 h ALA 548 N 0.83 1.44 0.00 1.87 0.00 -0.74 -2.46 119.26 120.21 1n20 h ALA 548 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n20 h ALA 548 Cb 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1n20 h ALA 548 CO 0.06 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1n20 h ALA 549 N 1.61 1.00 0.00 0.00 0.00 -0.81 -3.48 119.26 117.57 1n20 h ALA 549 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n20 h ALA 549 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1n20 h ALA 549 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1n20 n GLY 550 N -0.83 0.72 3.35 0.00 0.00 -0.93 -5.11 105.19 102.39 1n20 n GLY 550 Ca -0.01 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1n20 n GLY 550 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n20 s TYR 551 N -2.72 -0.32 -2.41 1.61 -0.85 -1.26 -4.90 117.35 106.49 1n20 s TYR 551 Ca 0.00 0.31 0.27 0.00 -0.52 0.00 0.00 57.07 57.13 1n20 s TYR 551 Cb 0.00 0.27 1.11 0.00 0.38 0.00 0.00 41.96 43.72 1n20 s TYR 551 CO 0.00 -0.60 1.77 -0.35 -1.52 0.00 0.00 175.55 174.85 1n20 n PRO 552 N 0.44 1.59 -2.46 -3.49 -0.04 -1.26 -4.93 135.00 124.84 1n20 n PRO 552 Ca -0.18 -0.86 -0.27 0.00 -0.04 0.00 0.00 63.50 62.15 1n20 n PRO 552 Cb 0.60 -1.47 0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1n20 n PRO 552 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1n20 s PHE 553 N -1.97 3.36 0.41 0.54 0.40 -1.26 -4.78 117.98 114.67 1n20 s PHE 553 Ca 0.38 0.70 -0.26 0.00 -0.60 0.00 0.00 56.93 57.15 1n20 s PHE 553 Cb 0.21 -2.60 -0.09 0.00 0.51 0.00 0.00 43.02 41.05 1n20 s PHE 553 CO 0.33 -0.64 1.38 -2.14 0.70 0.00 0.00 175.22 174.84 1n20 s PRO 554 N -4.91 3.93 0.33 0.24 0.02 -1.26 -4.90 135.00 128.45 1n20 s PRO 554 Ca 0.52 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.87 1n20 s PRO 554 Cb -0.10 -2.79 0.56 0.00 0.02 0.00 0.00 34.50 32.19 1n20 s PRO 554 CO 0.45 -0.59 1.99 -0.44 -0.33 0.00 0.00 177.00 178.08 1n20 h ASP 555 N 2.67 0.82 -0.92 2.53 3.32 -1.96 -2.14 116.42 120.74 1n20 h ASP 555 Ca -0.50 -0.02 0.08 0.00 0.02 0.00 0.00 57.03 56.61 1n20 h ASP 555 Cb 1.25 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.53 1n20 h ASP 555 CO 0.63 0.59 0.59 1.23 -1.72 0.00 0.00 179.24 180.56 1n20 h GLY 556 N 0.96 1.35 1.09 2.75 0.00 -2.00 0.11 103.07 107.34 1n20 h GLY 556 Ca 0.27 -0.40 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 1n20 h GLY 556 CO -0.06 0.25 -0.55 1.98 0.00 0.00 0.00 176.54 178.16 1n20 h MET 557 N 0.98 0.79 -0.56 4.80 1.85 -1.77 -2.86 114.93 118.17 1n20 h MET 557 Ca 0.41 -0.53 -0.09 0.00 -0.61 0.00 0.00 59.70 58.88 1n20 h MET 557 Cb 0.30 0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 1n20 h MET 557 CO -0.17 1.16 -0.03 0.28 -0.40 0.00 0.00 176.91 177.75 1n20 h VAL 558 N 0.53 1.26 -0.94 -5.77 2.07 -1.11 -0.87 116.25 111.43 1n20 h VAL 558 Ca -0.00 -1.14 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1n20 h VAL 558 Cb 1.16 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 1n20 h VAL 558 CO 0.12 0.41 0.60 0.00 0.02 0.00 0.00 177.57 178.72 1n20 h ALA 559 N 1.07 1.30 -0.57 1.67 0.00 -0.99 0.19 119.26 121.93 1n20 h ALA 559 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1n20 h ALA 559 Cb 0.56 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1n20 h ALA 559 CO 0.03 0.37 -0.03 0.78 0.00 0.00 0.00 179.25 180.40 1n20 h GLY 560 N 1.09 1.10 1.01 0.00 0.00 -1.18 -1.29 103.07 103.80 1n20 h GLY 560 Ca 0.41 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1n20 h GLY 560 CO -0.17 0.77 0.33 0.00 0.00 0.00 0.00 176.54 177.47 1n20 h ALA 561 N 0.96 0.90 -0.36 3.60 0.00 0.24 -0.36 119.26 124.24 1n20 h ALA 561 Ca 0.16 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1n20 h ALA 561 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1n20 h ALA 561 CO 0.04 0.47 -0.21 0.00 0.00 0.00 0.00 179.25 179.55 1n20 h ALA 562 N 1.16 0.96 0.00 0.00 0.00 -0.54 -3.22 119.26 117.62 1n20 h ALA 562 Ca 0.24 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1n20 h ALA 562 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1n20 h ALA 562 CO -0.03 0.60 -0.82 -0.91 0.00 0.00 0.00 179.25 178.10 1n20 h ASN 563 N 0.61 0.07 -0.79 0.00 4.21 -0.85 -3.32 115.58 115.52 1n20 h ASN 563 Ca 0.09 -0.06 0.09 0.00 1.21 0.00 0.00 56.30 57.63 1n20 h ASN 563 Cb 0.69 -0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.81 1n20 h ASN 563 CO 0.05 0.86 0.51 -0.29 -1.29 0.00 0.00 177.43 177.27 1n20 h ILE 564 N 0.03 0.96 -0.05 2.81 2.10 -1.08 0.16 117.51 122.45 1n20 h ILE 564 Ca -0.02 -0.25 -0.19 0.00 1.08 0.00 0.00 64.86 65.47 1n20 h ILE 564 Cb 1.43 0.15 -0.00 0.00 -1.09 0.00 0.00 36.82 37.31 1n20 h ILE 564 CO 0.11 0.14 -0.80 1.23 -1.08 0.00 0.00 178.15 177.75 1n20 h GLY 565 N 0.74 0.40 1.17 8.18 0.00 -1.72 -3.15 103.07 108.69 1n20 h GLY 565 Ca 0.36 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 47.10 1n20 h GLY 565 CO -0.14 0.55 0.50 3.21 0.00 0.00 0.00 176.54 180.66 1n20 h ARG 566 N 0.23 0.93 -0.53 4.80 3.08 -1.08 -1.85 114.38 119.95 1n20 h ARG 566 Ca -0.04 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1n20 h ARG 566 Cb 1.39 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1n20 h ARG 566 CO 0.13 0.61 0.31 0.28 -1.07 0.00 0.00 179.97 180.24 1n20 h VAL 567 N 0.95 1.17 -0.54 2.04 2.07 -1.33 -2.29 116.25 118.33 1n20 h VAL 567 Ca 0.30 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1n20 h VAL 567 Cb 0.00 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1n20 h VAL 567 CO -0.08 0.17 0.35 0.00 0.02 0.00 0.00 177.57 178.04 1n20 h ALA 568 N 1.15 0.68 -0.24 1.67 0.00 -1.40 0.32 119.26 121.45 1n20 h ALA 568 Ca 0.19 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1n20 h ALA 568 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1n20 h ALA 568 CO -0.03 0.11 0.16 1.96 0.00 0.00 0.00 179.25 181.45 1n20 h GLN 569 N 0.72 0.16 0.00 0.00 4.20 -1.00 -0.45 115.11 118.73 1n20 h GLN 569 Ca 0.20 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1n20 h GLN 569 Cb -0.07 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1n20 h GLN 569 CO -0.05 0.11 -0.16 0.35 -0.67 0.00 0.00 178.83 178.41 1n20 h PHE 570 N 0.17 0.00 0.00 2.96 3.57 -0.78 -3.08 116.94 119.78 1n20 h PHE 570 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1n20 h PHE 570 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1n20 h PHE 570 CO -0.00 0.54 0.00 0.97 -2.23 0.00 0.00 178.31 177.59 1n20 h ILE 571 N -1.00 0.00 -0.14 1.41 2.10 -0.25 -1.92 117.51 117.71 1n20 h ILE 571 Ca -0.03 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1n20 h ILE 571 Cb 0.57 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1n20 h ILE 571 CO -0.02 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.83 1n20 n TYR 572 N -2.72 0.36 0.06 2.19 0.53 -0.19 -4.02 117.16 113.37 1n20 n TYR 572 Ca -0.02 -0.77 0.09 0.00 -1.02 0.00 0.00 57.90 56.18 1n20 n TYR 572 Cb 0.10 -0.15 0.53 0.00 -1.03 0.00 0.00 39.34 38.79 1n20 n TYR 572 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1n20 h LEU 573 N 0.90 0.26 -6.14 7.72 5.85 -1.25 -3.26 115.31 119.39 1n20 h LEU 573 Ca 0.00 -0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.14 1n20 h LEU 573 Cb 0.97 -0.06 -0.39 0.00 0.37 0.00 0.00 40.66 41.55 1n20 h LEU 573 CO 0.06 0.17 -1.00 1.41 -0.34 0.00 0.00 178.44 178.75 1n20 n HIS 574 N -4.49 0.16 -3.99 1.25 8.25 -1.26 -5.11 115.22 110.04 1n20 n HIS 574 Ca 0.03 -3.61 0.00 0.00 -0.26 0.00 0.00 57.72 53.88 1n20 n HIS 574 Cb 0.19 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1n20 n HIS 574 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n20 n GLY 575 N 1.66 -1.88 0.00 -1.41 0.00 -1.23 -4.92 105.19 97.41 1n20 n GLY 575 Ca 0.24 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1n20 n GLY 575 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n20 n ASP 576 N 0.63 -1.61 0.00 1.61 -0.08 -1.10 -4.14 116.55 111.86 1n20 n ASP 576 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1n20 n ASP 576 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1n20 n ASP 576 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n20 n GLY 577 N 0.00 0.00 0.10 0.27 0.00 -1.12 -4.70 105.19 99.74 1n20 n GLY 577 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1n20 n GLY 577 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n20 n PHE 578 N 0.00 0.00 0.00 1.61 7.35 -1.26 -4.02 117.46 121.14 1n20 n PHE 578 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1n20 n PHE 578 Cb 0.00 -0.94 0.00 0.00 0.35 0.00 0.00 39.48 38.89 1n20 n PHE 578 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1n20 n GLY 579 N 1.96 1.28 0.43 7.13 0.00 -1.26 -4.74 105.19 109.98 1n20 n GLY 579 Ca -0.34 0.00 0.17 0.00 0.00 0.00 0.00 46.02 45.84 1n20 n GLY 579 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n20 h VAL 580 N 0.00 0.05 -2.06 1.61 2.07 -1.93 -2.44 116.25 113.55 1n20 h VAL 580 Ca 0.00 0.00 -0.51 0.00 0.82 0.00 0.00 66.70 67.01 1n20 h VAL 580 Cb 0.00 0.17 -0.40 0.00 -1.52 0.00 0.00 31.29 29.54 1n20 h VAL 580 CO 0.00 0.00 -1.07 0.00 0.02 0.00 0.00 177.57 176.52 1n20 n GLN 581 N -3.04 1.45 -0.01 1.57 6.02 -1.26 -4.86 117.38 117.26 1n20 n GLN 581 Ca 0.11 -3.70 0.14 0.00 -0.01 0.00 0.00 57.00 53.54 1n20 n GLN 581 Cb 1.11 -1.80 0.58 0.00 1.02 0.00 0.00 30.24 31.15 1n20 n GLN 581 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1n20 n HIS 582 N 0.25 0.02 0.83 1.08 1.44 -0.92 -2.81 115.22 115.11 1n20 n HIS 582 Ca 0.26 -0.01 0.13 0.00 -2.01 0.00 0.00 57.72 56.09 1n20 n HIS 582 Cb 0.59 0.00 0.33 0.00 0.12 0.00 0.00 29.99 31.03 1n20 n HIS 582 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1n20 n SER 583 N -0.00 0.48 0.10 4.39 3.41 -1.26 -2.90 113.62 117.84 1n20 n SER 583 Ca 0.19 0.12 -0.23 0.00 -0.26 0.00 0.00 58.87 58.70 1n20 n SER 583 Cb 0.31 -0.06 -0.15 0.00 -0.26 0.00 0.00 64.21 64.05 1n20 n SER 583 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1n20 h LYS 584 N 0.00 0.45 -0.60 4.33 1.57 -1.91 -3.31 116.57 117.10 1n20 h LYS 584 Ca 0.00 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.03 1n20 h LYS 584 Cb 0.60 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1n20 h LYS 584 CO 0.00 1.35 0.00 0.25 -0.57 0.00 0.00 179.45 180.48 1n20 n THR 585 N -3.90 0.79 0.19 -0.16 -2.24 -1.25 -4.48 114.28 103.23 1n20 n THR 585 Ca -0.15 -0.85 -0.16 0.00 -2.27 0.00 0.00 64.05 60.62 1n20 n THR 585 Cb 0.97 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 1n20 n THR 585 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1n20 h TYR 586 N 3.97 -1.25 -0.38 4.78 3.20 -1.62 -2.06 116.97 123.60 1n20 h TYR 586 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1n20 h TYR 586 Cb 0.90 0.51 -0.08 0.00 1.54 0.00 0.00 36.73 39.60 1n20 h TYR 586 CO 0.40 -0.57 -0.22 0.93 -1.64 0.00 0.00 178.16 177.06 1n20 h GLU 587 N -0.79 -0.15 -0.28 1.82 5.08 -1.82 0.40 114.58 118.84 1n20 h GLU 587 Ca -0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1n20 h GLU 587 Cb 0.75 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.97 1n20 h GLU 587 CO -0.17 -0.10 -0.11 1.25 -1.00 0.00 0.00 179.01 178.88 1n20 h HIS 588 N -0.16 -0.26 -0.45 4.33 2.76 -1.81 0.28 115.15 119.84 1n20 h HIS 588 Ca 0.18 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1n20 h HIS 588 Cb 0.44 0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 1n20 h HIS 588 CO -0.44 -0.18 0.29 0.82 -1.30 0.00 0.00 177.93 177.12 1n20 h ILE 589 N -0.06 1.13 -0.68 6.26 2.04 -0.73 -0.60 117.51 124.86 1n20 h ILE 589 Ca 0.14 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1n20 h ILE 589 Cb 0.28 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1n20 h ILE 589 CO -0.33 0.13 0.43 0.00 0.00 0.00 0.00 178.15 178.38 1n20 h ALA 590 N 1.15 0.89 -0.12 1.87 0.00 -0.31 0.96 119.26 123.70 1n20 h ALA 590 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1n20 h ALA 590 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1n20 h ALA 590 CO -0.03 0.20 -0.14 0.78 0.00 0.00 0.00 179.25 180.06 1n20 h GLY 591 N 0.84 0.20 0.94 0.00 0.00 0.15 0.66 103.07 105.86 1n20 h GLY 591 Ca 0.27 -0.12 -0.34 0.00 0.00 0.00 0.00 47.33 47.14 1n20 h GLY 591 CO -0.10 0.12 -1.75 -2.00 0.00 0.00 0.00 176.54 172.80 1n20 h LEU 592 N 0.18 0.50 0.00 3.11 5.85 -0.33 -3.38 115.31 121.25 1n20 h LEU 592 Ca 0.04 -0.81 -0.31 0.00 0.84 0.00 0.00 57.88 57.64 1n20 h LEU 592 Cb 0.36 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1n20 h LEU 592 CO 0.02 1.69 -2.16 0.18 -0.34 0.00 0.00 178.44 177.83 1n20 n LEU 593 N -3.52 0.30 -0.00 2.25 4.77 0.26 -4.78 117.00 116.28 1n20 n LEU 593 Ca -0.24 -0.01 0.07 0.00 -0.03 0.00 0.00 56.01 55.80 1n20 n LEU 593 Cb 1.06 0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 42.35 1n20 n LEU 593 CO 0.49 0.46 -0.53 0.49 -1.33 0.00 0.00 177.39 176.98 1n20 n PHE 594 N -2.67 0.00 -3.80 -1.77 0.99 0.09 -4.80 117.46 105.49 1n20 n PHE 594 Ca -0.28 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 56.80 1n20 n PHE 594 Cb 1.03 -0.24 -0.13 0.00 -1.00 0.00 0.00 39.48 39.14 1n20 n PHE 594 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1n20 s GLU 595 N -2.78 3.41 0.72 -1.08 2.02 -0.38 -5.01 118.70 115.60 1n20 s GLU 595 Ca -0.03 -0.63 -0.15 0.00 0.02 0.00 0.00 54.97 54.18 1n20 s GLU 595 Cb 0.09 -3.24 0.03 0.00 0.10 0.00 0.00 34.13 31.12 1n20 s GLU 595 CO 0.55 -0.26 1.18 -2.14 0.02 0.00 0.00 175.26 174.60 1n20 s PRO 596 N 1.54 2.26 -0.25 0.39 0.02 -1.26 -4.75 135.00 132.95 1n20 s PRO 596 Ca 0.05 1.64 -0.27 0.00 0.02 0.00 0.00 61.00 62.44 1n20 s PRO 596 Cb -0.15 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.51 1n20 s PRO 596 CO 0.01 -1.72 0.93 -0.47 -0.33 0.00 0.00 177.00 175.42 1n20 s TYR 597 N -2.13 3.29 -2.20 6.54 5.04 -1.26 -5.12 117.35 121.51 1n20 s TYR 597 Ca 0.72 1.23 0.30 0.00 -2.44 0.00 0.00 57.07 56.88 1n20 s TYR 597 Cb -0.26 -3.22 1.56 0.00 0.35 0.00 0.00 41.96 40.39 1n20 s TYR 597 CO 0.45 -0.49 2.03 0.00 -1.34 0.00 0.00 175.55 176.21