#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n23 n ARG 56 N 0.00 -1.87 -3.64 5.56 3.00 -1.25 -5.08 116.66 113.39 1n23 n ARG 56 Ca 0.00 -0.87 -0.09 0.00 -0.01 0.00 0.00 57.85 56.88 1n23 n ARG 56 Cb 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 32.46 31.61 1n23 n ARG 56 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1n23 s SER 57 N -3.01 -0.49 0.00 0.55 1.04 -1.26 -4.67 113.70 105.86 1n23 s SER 57 Ca 0.35 0.92 0.10 0.00 0.48 0.00 0.00 55.95 57.81 1n23 s SER 57 Cb -0.03 0.97 0.62 0.00 0.10 0.00 0.00 66.02 67.68 1n23 s SER 57 CO 0.27 -0.16 1.38 0.61 0.98 0.00 0.00 173.24 176.32 1n23 n GLY 58 N 2.44 -0.98 3.49 7.32 0.00 -1.26 -4.90 105.19 111.30 1n23 n GLY 58 Ca -0.13 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 1n23 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n23 n ASN 59 N -0.67 -6.07 -4.86 1.61 5.15 -1.26 -4.93 115.26 104.23 1n23 n ASN 59 Ca 0.08 -0.60 -0.33 0.00 -0.60 0.00 0.00 54.58 53.13 1n23 n ASN 59 Cb 0.04 -3.18 -0.06 0.00 -0.53 0.00 0.00 39.78 36.05 1n23 n ASN 59 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1n23 s TYR 60 N -2.99 3.45 0.04 1.20 4.12 -1.26 -4.89 117.35 117.01 1n23 s TYR 60 Ca 0.00 0.30 -0.03 0.00 0.02 0.00 0.00 57.07 57.36 1n23 s TYR 60 Cb -0.00 -1.79 -0.04 0.00 -1.52 0.00 0.00 41.96 38.61 1n23 s TYR 60 CO 0.84 0.61 0.23 -0.65 0.02 0.00 0.00 175.55 176.60 1n23 s GLN 61 N -1.90 3.49 1.08 -0.62 -1.52 -1.26 -5.06 119.66 113.86 1n23 s GLN 61 Ca 0.26 -0.29 -0.12 0.00 -1.95 0.00 0.00 55.36 53.26 1n23 s GLN 61 Cb -0.12 -3.04 0.22 0.00 -0.22 0.00 0.00 33.01 29.84 1n23 s GLN 61 CO 0.18 0.62 0.93 -0.35 -0.25 0.00 0.00 175.29 176.42 1n23 n PRO 62 N 0.64 -1.65 -1.67 2.91 -0.04 -1.26 -4.75 135.00 129.18 1n23 n PRO 62 Ca -0.08 -0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 62.55 1n23 n PRO 62 Cb 0.52 -2.17 0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1n23 n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n23 n ALA 63 N -4.63 0.87 1.21 0.55 0.00 -1.25 -4.91 120.51 112.34 1n23 n ALA 63 Ca 0.06 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.80 1n23 n ALA 63 Cb 0.54 -2.21 0.51 0.00 0.00 0.00 0.00 19.45 18.29 1n23 n ALA 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1n23 n LEU 64 N -0.21 0.41 -3.64 0.00 4.77 -1.26 -4.69 117.00 112.36 1n23 n LEU 64 Ca 0.10 0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.95 1n23 n LEU 64 Cb 0.42 -0.27 -0.17 0.00 -2.33 0.00 0.00 43.42 41.07 1n23 n LEU 64 CO 0.55 0.08 -0.33 0.26 -1.33 0.00 0.00 177.39 176.62 1n23 s TRP 65 N -2.72 0.10 0.84 -1.77 0.51 -1.26 -5.15 118.94 109.48 1n23 s TRP 65 Ca 0.21 0.05 -0.07 0.00 -2.12 0.00 0.00 56.10 54.17 1n23 s TRP 65 Cb 0.19 -0.55 0.17 0.00 -0.81 0.00 0.00 33.47 32.47 1n23 s TRP 65 CO 0.54 -0.32 1.15 0.16 -0.51 0.00 0.00 176.95 177.97 1n23 s ASP 66 N 2.16 3.73 0.40 2.95 1.47 -1.26 -4.92 116.67 121.21 1n23 s ASP 66 Ca 0.04 -0.13 0.14 0.00 1.18 0.00 0.00 52.55 53.78 1n23 s ASP 66 Cb -0.14 -0.07 0.84 0.00 -0.34 0.00 0.00 42.92 43.21 1n23 s ASP 66 CO -0.05 -2.29 1.88 0.77 0.68 0.00 0.00 175.17 176.16 1n23 h SER 67 N -1.05 0.00 -0.45 2.11 4.64 -1.99 -2.62 113.55 114.19 1n23 h SER 67 Ca -0.39 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.84 1n23 h SER 67 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1n23 h SER 67 CO 0.38 0.30 -0.06 0.78 -0.87 0.00 0.00 176.83 177.37 1n23 h ASN 68 N 0.00 0.82 0.34 4.97 2.35 -1.98 -0.12 115.58 121.97 1n23 h ASN 68 Ca -0.00 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.39 1n23 h ASN 68 Cb 0.55 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1n23 h ASN 68 CO 0.04 0.97 -0.18 0.22 -1.65 0.00 0.00 177.43 176.83 1n23 h TYR 69 N 0.67 -0.45 -0.70 1.19 3.20 -1.88 -0.42 116.97 118.57 1n23 h TYR 69 Ca 0.12 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1n23 h TYR 69 Cb 0.58 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 1n23 h TYR 69 CO 0.04 -0.28 0.41 0.82 -1.64 0.00 0.00 178.16 177.52 1n23 h ILE 70 N -0.48 1.02 -0.70 1.81 2.04 -1.39 -1.79 117.51 118.01 1n23 h ILE 70 Ca -0.04 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1n23 h ILE 70 Cb 0.37 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1n23 h ILE 70 CO 0.07 0.14 0.35 1.56 0.00 0.00 0.00 178.15 180.26 1n23 h GLN 71 N 0.77 1.00 0.00 2.37 4.20 -0.81 -2.72 115.11 119.91 1n23 h GLN 71 Ca 0.30 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1n23 h GLN 71 Cb 0.13 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1n23 h GLN 71 CO -0.16 0.76 0.00 -1.13 -0.67 0.00 0.00 178.83 177.64 1n23 n SER 72 N -4.34 0.00 -4.59 1.46 3.41 -0.18 -4.90 113.62 104.48 1n23 n SER 72 Ca 0.07 0.45 -0.47 0.00 -0.26 0.00 0.00 58.87 58.65 1n23 n SER 72 Cb 0.13 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 1n23 n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n23 n LEU 73 N -1.48 1.76 -3.75 1.04 4.77 -0.88 -4.97 117.00 113.48 1n23 n LEU 73 Ca 0.07 1.15 -0.16 0.00 -0.03 0.00 0.00 56.01 57.04 1n23 n LEU 73 Cb 0.31 -1.25 -0.16 0.00 -2.33 0.00 0.00 43.42 39.99 1n23 n LEU 73 CO 0.25 -1.23 -0.33 0.21 -1.33 0.00 0.00 177.39 174.96 1n23 s ASN 74 N -0.07 0.23 -0.05 -1.43 2.47 -1.26 -5.10 114.94 109.73 1n23 s ASN 74 Ca 0.70 0.08 -0.05 0.00 0.42 0.00 0.00 52.86 54.00 1n23 s ASN 74 Cb -0.80 -0.05 0.01 0.00 -1.45 0.00 0.00 41.25 38.96 1n23 s ASN 74 CO 0.53 -0.15 0.15 0.28 -3.72 0.00 0.00 177.10 174.19 1n23 s THR 75 N 1.28 0.01 -1.63 -5.21 -1.32 -1.26 -5.05 115.64 102.46 1n23 s THR 75 Ca -0.07 -0.07 0.28 0.00 -1.21 0.00 0.00 61.69 60.63 1n23 s THR 75 Cb -0.13 -0.23 0.36 0.00 -1.51 0.00 0.00 72.50 70.99 1n23 s THR 75 CO -0.03 -0.04 1.74 -0.81 -2.21 0.00 0.00 174.62 173.27 1n23 n PRO 76 N 2.86 0.68 -0.71 7.08 -0.04 -1.26 -4.57 135.00 139.04 1n23 n PRO 76 Ca -0.13 -0.30 -0.07 0.00 -0.04 0.00 0.00 63.50 62.96 1n23 n PRO 76 Cb 0.59 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 1n23 n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1n23 n TYR 77 N -0.90 0.00 -0.22 0.54 4.02 -1.26 -2.61 117.16 116.72 1n23 n TYR 77 Ca 0.13 -1.13 0.00 0.00 -0.01 0.00 0.00 57.90 56.89 1n23 n TYR 77 Cb 0.31 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.52 1n23 n TYR 77 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1n23 n THR 78 N 2.26 0.00 -1.82 -0.72 5.66 -1.26 -4.55 114.28 113.84 1n23 n THR 78 Ca 0.25 -0.25 -0.33 0.00 -3.05 0.00 0.00 64.05 60.66 1n23 n THR 78 Cb 0.66 1.22 0.04 0.00 -1.55 0.00 0.00 70.33 70.70 1n23 n THR 78 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1n23 s GLU 79 N -0.28 2.93 0.29 1.09 2.02 -1.07 -4.97 118.70 118.71 1n23 s GLU 79 Ca 0.00 1.34 0.06 0.00 0.02 0.00 0.00 54.97 56.39 1n23 s GLU 79 Cb 0.00 -1.97 0.43 0.00 0.10 0.00 0.00 34.13 32.69 1n23 s GLU 79 CO 0.00 -1.14 1.69 1.49 0.02 0.00 0.00 175.26 177.31 1n23 h GLU 80 N 0.12 0.24 -0.89 1.61 4.81 -1.98 -2.91 114.58 115.58 1n23 h GLU 80 Ca -0.47 -0.12 0.20 0.00 -0.13 0.00 0.00 59.36 58.84 1n23 h GLU 80 Cb 1.24 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 1n23 h GLU 80 CO 0.55 0.63 0.59 0.00 -0.73 0.00 0.00 179.01 180.05 1n23 h ARG 81 N 0.20 0.38 0.14 1.92 3.08 -1.97 0.20 114.38 118.34 1n23 h ARG 81 Ca 0.02 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 1n23 h ARG 81 Cb 0.84 -0.09 0.03 0.00 0.08 0.00 0.00 29.97 30.83 1n23 h ARG 81 CO 0.07 0.25 -1.04 0.45 -1.07 0.00 0.00 179.97 178.64 1n23 h HIS 82 N 0.40 0.77 -0.00 3.04 3.86 -1.90 -3.08 115.15 118.23 1n23 h HIS 82 Ca 0.46 -0.52 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1n23 h HIS 82 Cb 1.16 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1n23 h HIS 82 CO -0.00 1.38 -0.15 -0.07 0.86 0.00 0.00 177.93 179.95 1n23 h LEU 83 N -0.07 0.00 0.25 2.43 3.38 -1.02 -1.23 115.31 119.06 1n23 h LEU 83 Ca -0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1n23 h LEU 83 Cb 1.78 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1n23 h LEU 83 CO 0.20 0.15 -0.12 0.44 0.09 0.00 0.00 178.44 179.20 1n23 h ASP 84 N 0.01 -0.28 -0.51 -0.43 3.32 -0.74 -2.84 116.42 114.94 1n23 h ASP 84 Ca -0.00 -0.25 0.06 0.00 0.02 0.00 0.00 57.03 56.86 1n23 h ASP 84 Cb 0.27 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1n23 h ASP 84 CO 0.02 0.16 0.34 -0.09 -1.72 0.00 0.00 179.24 177.95 1n23 h ARG 85 N -0.80 0.44 0.60 3.56 9.65 -1.42 -1.73 114.38 124.68 1n23 h ARG 85 Ca -0.03 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1n23 h ARG 85 Cb 0.51 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1n23 h ARG 85 CO 0.06 0.29 -0.38 -0.22 2.80 0.00 0.00 179.97 182.52 1n23 h LYS 86 N 0.45 -0.89 -0.69 0.20 3.64 -1.18 0.25 116.57 118.35 1n23 h LYS 86 Ca 0.22 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 1n23 h LYS 86 Cb 0.30 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1n23 h LYS 86 CO -0.06 -0.59 0.46 0.00 -2.27 0.00 0.00 179.45 176.98 1n23 h ALA 87 N -0.61 1.76 -0.39 5.00 0.00 -1.18 -0.62 119.26 123.23 1n23 h ALA 87 Ca -0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1n23 h ALA 87 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1n23 h ALA 87 CO 0.07 0.13 -0.30 1.49 0.00 0.00 0.00 179.25 180.64 1n23 h GLU 88 N 0.69 0.89 -0.56 0.00 4.57 -0.99 -1.95 114.58 117.22 1n23 h GLU 88 Ca 0.30 -0.43 -0.09 0.00 -1.18 0.00 0.00 59.36 57.96 1n23 h GLU 88 Cb 0.30 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1n23 h GLU 88 CO -0.10 1.08 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.74 1n23 h LEU 89 N 0.70 0.95 -1.37 1.64 3.38 -0.12 -1.61 115.31 118.88 1n23 h LEU 89 Ca 0.07 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1n23 h LEU 89 Cb 0.88 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1n23 h LEU 89 CO 0.08 1.01 -0.18 0.40 0.09 0.00 0.00 178.44 179.84 1n23 h ILE 90 N 0.89 1.19 -0.41 1.22 2.04 -1.02 0.19 117.51 121.62 1n23 h ILE 90 Ca 0.16 -0.87 -0.12 0.00 1.00 0.00 0.00 64.86 65.03 1n23 h ILE 90 Cb 0.53 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1n23 h ILE 90 CO 0.03 0.27 -0.21 0.58 0.00 0.00 0.00 178.15 178.82 1n23 h VAL 91 N 0.19 1.28 -0.13 1.67 2.07 -0.78 -2.07 116.25 118.48 1n23 h VAL 91 Ca 0.04 -1.35 -0.17 0.00 0.82 0.00 0.00 66.70 66.04 1n23 h VAL 91 Cb 0.43 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1n23 h VAL 91 CO 0.03 0.45 -0.62 1.56 0.02 0.00 0.00 177.57 179.01 1n23 h GLN 92 N 0.67 0.47 -0.03 1.57 1.08 -0.65 -3.19 115.11 115.02 1n23 h GLN 92 Ca 0.09 -0.32 -0.20 0.00 -1.45 0.00 0.00 58.65 56.77 1n23 h GLN 92 Cb 0.77 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 1n23 h GLN 92 CO 0.06 0.94 -0.82 0.28 -0.95 0.00 0.00 178.83 178.34 1n23 h VAL 93 N 0.34 1.42 -0.99 -0.54 2.07 -0.62 -2.99 116.25 114.95 1n23 h VAL 93 Ca -0.01 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.16 1n23 h VAL 93 Cb 1.17 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 1n23 h VAL 93 CO 0.11 0.70 0.66 -0.09 0.02 0.00 0.00 177.57 178.97 1n23 h ARG 94 N 0.20 1.30 0.05 1.57 2.43 -1.41 -1.32 114.38 117.20 1n23 h ARG 94 Ca -0.05 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1n23 h ARG 94 Cb 1.43 -0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1n23 h ARG 94 CO 0.14 0.86 -0.16 0.82 -1.51 0.00 0.00 179.97 180.12 1n23 h ILE 95 N 1.34 0.62 -0.57 1.20 2.04 -1.53 -1.46 117.51 119.15 1n23 h ILE 95 Ca 0.37 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.30 1n23 h ILE 95 Cb -0.15 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 1n23 h ILE 95 CO -0.08 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.24 1n23 h LEU 96 N -0.29 0.29 -2.29 1.44 3.38 -1.29 -0.44 115.31 116.12 1n23 h LEU 96 Ca 0.04 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1n23 h LEU 96 Cb 0.33 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1n23 h LEU 96 CO -0.12 0.19 -0.05 0.25 0.09 0.00 0.00 178.44 178.80 1n23 h LEU 97 N 0.45 0.00 0.00 1.67 5.85 -0.79 -2.73 115.31 119.76 1n23 h LEU 97 Ca 0.27 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1n23 h LEU 97 Cb 0.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1n23 h LEU 97 CO -0.24 0.05 -1.68 0.29 -0.34 0.00 0.00 178.44 176.51 1n23 n LYS 98 N -3.48 0.64 -1.69 1.25 5.02 -0.31 -4.96 118.16 114.63 1n23 n LYS 98 Ca -0.02 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.76 1n23 n LYS 98 Cb 0.16 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1n23 n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1n23 n GLU 99 N -2.41 2.04 -1.98 1.97 1.02 -0.42 -4.88 120.64 115.99 1n23 n GLU 99 Ca -0.03 0.72 -0.42 0.00 -0.02 0.00 0.00 57.16 57.41 1n23 n GLU 99 Cb 0.58 -2.31 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1n23 n GLU 99 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1n23 s LYS 100 N -1.93 4.23 0.23 3.49 1.02 -1.26 -4.98 119.74 120.54 1n23 s LYS 100 Ca 0.57 2.30 -0.18 0.00 0.02 0.00 0.00 55.97 58.68 1n23 s LYS 100 Cb -0.56 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.48 1n23 s LYS 100 CO 0.61 -0.61 0.57 0.00 -0.92 0.00 0.00 175.35 175.00 1n23 s MET 101 N 1.52 1.52 0.35 1.68 0.23 -1.26 -5.15 119.30 118.20 1n23 s MET 101 Ca 0.70 -0.97 -0.28 0.00 -1.03 0.00 0.00 55.69 54.11 1n23 s MET 101 Cb -0.41 0.54 -0.10 0.00 -1.53 0.00 0.00 34.83 33.32 1n23 s MET 101 CO 0.31 -0.66 1.31 -1.21 -2.03 0.00 0.00 175.02 172.74 1n23 s GLU 102 N -3.91 4.24 0.24 3.16 0.41 -1.26 -4.83 118.70 116.75 1n23 s GLU 102 Ca 0.12 2.21 -0.15 0.00 -0.41 0.00 0.00 54.97 56.74 1n23 s GLU 102 Cb -0.02 -2.98 0.28 0.00 -1.78 0.00 0.00 34.13 29.63 1n23 s GLU 102 CO 0.02 -0.28 1.56 -1.35 -0.49 0.00 0.00 175.26 174.72 1n23 h PRO 103 N 3.18 -0.02 -0.39 0.39 0.11 -2.01 0.30 132.00 133.55 1n23 h PRO 103 Ca -0.49 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1n23 h PRO 103 Cb 1.23 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1n23 h PRO 103 CO 0.65 -0.02 0.27 -0.24 -0.21 0.00 0.00 178.00 178.45 1n23 h VAL 104 N -0.02 0.89 -0.03 3.15 3.04 -1.98 -0.32 116.25 120.97 1n23 h VAL 104 Ca 0.36 -0.06 -0.20 0.00 -1.01 0.00 0.00 66.70 65.79 1n23 h VAL 104 Cb 0.62 0.70 -0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1n23 h VAL 104 CO -0.94 0.03 -0.84 1.56 -1.01 0.00 0.00 177.57 176.37 1n23 h GLN 105 N 0.17 0.37 -0.48 4.17 4.20 -0.79 -2.42 115.11 120.33 1n23 h GLN 105 Ca 0.18 -0.36 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 1n23 h GLN 105 Cb 0.49 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1n23 h GLN 105 CO -0.03 1.02 0.16 1.96 -0.67 0.00 0.00 178.83 181.28 1n23 h GLN 106 N 0.23 0.74 -0.70 1.46 4.20 -0.43 -1.48 115.11 119.13 1n23 h GLN 106 Ca -0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 1n23 h GLN 106 Cb 1.45 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.09 1n23 h GLN 106 CO 0.14 0.69 0.36 -0.07 -0.67 0.00 0.00 178.83 179.28 1n23 h LEU 107 N 0.64 0.89 -1.09 1.46 3.38 -1.25 -1.17 115.31 118.17 1n23 h LEU 107 Ca 0.16 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1n23 h LEU 107 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1n23 h LEU 107 CO -0.01 0.75 0.03 -0.33 0.09 0.00 0.00 178.44 178.97 1n23 h GLU 108 N 0.96 0.68 -0.16 1.13 5.08 -1.16 -0.63 114.58 120.49 1n23 h GLU 108 Ca 0.24 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1n23 h GLU 108 Cb 0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1n23 h GLU 108 CO -0.04 0.67 -0.22 1.25 -1.00 0.00 0.00 179.01 179.68 1n23 h LEU 109 N 0.64 0.46 -0.56 1.33 5.85 -0.92 -1.61 115.31 120.50 1n23 h LEU 109 Ca 0.14 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1n23 h LEU 109 Cb 0.36 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1n23 h LEU 109 CO 0.01 0.89 0.32 0.40 -0.34 0.00 0.00 178.44 179.71 1n23 h ILE 110 N 0.05 1.01 -0.67 4.05 2.04 -0.98 0.33 117.51 123.35 1n23 h ILE 110 Ca 0.02 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1n23 h ILE 110 Cb 0.78 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1n23 h ILE 110 CO 0.05 0.11 0.33 -0.74 0.00 0.00 0.00 178.15 177.90 1n23 h HIS 111 N 0.61 0.93 0.08 1.37 2.76 -1.07 -0.48 115.15 119.35 1n23 h HIS 111 Ca 0.24 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1n23 h HIS 111 Cb 0.09 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.76 1n23 h HIS 111 CO -0.08 0.67 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.75 1n23 h ASP 112 N 0.94 -0.09 -0.86 3.26 3.32 -0.24 -2.38 116.42 120.37 1n23 h ASP 112 Ca 0.23 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1n23 h ASP 112 Cb 0.08 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1n23 h ASP 112 CO -0.03 0.14 0.55 -0.07 -1.72 0.00 0.00 179.24 178.11 1n23 h LEU 113 N -0.32 0.90 0.55 1.55 3.38 -0.66 -2.03 115.31 118.68 1n23 h LEU 113 Ca -0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1n23 h LEU 113 Cb 0.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n23 h LEU 113 CO 0.02 0.61 -0.29 0.50 0.09 0.00 0.00 178.44 179.36 1n23 h LYS 114 N 1.05 -0.75 0.00 1.13 3.64 -0.97 0.22 116.57 120.89 1n23 h LYS 114 Ca 0.35 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1n23 h LYS 114 Cb 0.05 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1n23 h LYS 114 CO -0.13 -0.50 0.00 0.66 -2.27 0.00 0.00 179.45 177.21 1n23 n TYR 115 N -5.44 0.00 0.36 1.91 4.02 -0.91 -1.50 117.16 115.61 1n23 n TYR 115 Ca -0.12 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.84 1n23 n TYR 115 Cb 0.33 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.75 1n23 n TYR 115 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1n23 n LEU 116 N -0.65 2.49 -1.54 7.72 4.77 -0.78 -4.68 117.00 124.33 1n23 n LEU 116 Ca 0.07 -1.29 -0.13 0.00 -0.03 0.00 0.00 56.01 54.64 1n23 n LEU 116 Cb 0.03 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1n23 n LEU 116 CO 0.05 0.52 -0.12 0.61 -1.33 0.00 0.00 177.39 177.12 1n23 n GLY 117 N 0.81 -0.12 0.00 -0.72 0.00 -0.56 -4.81 105.19 99.79 1n23 n GLY 117 Ca 0.10 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.82 1n23 n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n23 n LEU 118 N -1.96 0.24 -0.26 0.99 4.77 0.72 -4.70 117.00 116.81 1n23 n LEU 118 Ca -0.13 -0.37 0.16 0.00 -0.03 0.00 0.00 56.01 55.64 1n23 n LEU 118 Cb 0.60 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.14 1n23 n LEU 118 CO 0.20 0.06 1.22 0.77 -1.33 0.00 0.00 177.39 178.31 1n23 h SER 119 N 0.00 0.52 0.09 -1.43 4.64 -1.76 -0.33 113.55 115.28 1n23 h SER 119 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1n23 h SER 119 Cb 0.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1n23 h SER 119 CO 0.00 0.22 0.00 0.44 -0.87 0.00 0.00 176.83 176.62 1n23 h ASP 120 N 0.53 0.00 1.24 4.97 3.32 -1.91 0.14 116.42 124.72 1n23 h ASP 120 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1n23 h ASP 120 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1n23 h ASP 120 CO -0.21 0.00 -0.17 0.49 -1.72 0.00 0.00 179.24 177.63 1n23 n PHE 121 N -2.67 0.71 -2.63 4.55 0.99 -0.14 -4.04 117.46 114.24 1n23 n PHE 121 Ca -0.02 0.21 -0.11 0.00 -0.00 0.00 0.00 57.45 57.53 1n23 n PHE 121 Cb 0.07 -0.80 0.03 0.00 -1.00 0.00 0.00 39.48 37.78 1n23 n PHE 121 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1n23 n PHE 122 N -2.12 1.65 -0.08 1.38 3.01 0.03 -4.92 117.46 116.40 1n23 n PHE 122 Ca 0.05 -2.65 -0.07 0.00 1.01 0.00 0.00 57.45 55.79 1n23 n PHE 122 Cb 0.42 -0.29 -0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1n23 n PHE 122 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1n23 h GLN 123 N 2.78 0.23 0.50 -1.08 1.08 -1.67 -1.71 115.11 115.25 1n23 h GLN 123 Ca -0.01 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1n23 h GLN 123 Cb 1.19 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 1n23 h GLN 123 CO 0.50 0.15 -0.24 -0.44 -0.95 0.00 0.00 178.83 177.85 1n23 h ASP 124 N 0.24 -0.57 -0.98 1.46 3.32 -1.91 -1.88 116.42 116.09 1n23 h ASP 124 Ca 0.14 -0.04 0.14 0.00 0.02 0.00 0.00 57.03 57.29 1n23 h ASP 124 Cb 0.10 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.72 1n23 h ASP 124 CO -0.14 -0.32 0.62 -0.33 -1.72 0.00 0.00 179.24 177.35 1n23 h GLU 125 N -0.79 0.86 -0.43 3.56 3.07 -1.95 -0.15 114.58 118.75 1n23 h GLU 125 Ca -0.07 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.66 1n23 h GLU 125 Cb 0.57 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1n23 h GLU 125 CO 0.11 0.57 -0.03 0.82 -1.40 0.00 0.00 179.01 179.08 1n23 h ILE 126 N 0.89 1.27 -0.05 3.13 2.04 -1.21 -2.08 117.51 121.49 1n23 h ILE 126 Ca 0.50 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1n23 h ILE 126 Cb 0.62 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1n23 h ILE 126 CO -0.27 0.37 0.03 0.11 0.00 0.00 0.00 178.15 178.38 1n23 h LYS 127 N 0.62 0.07 0.13 2.37 1.57 -0.40 -0.71 116.57 120.21 1n23 h LYS 127 Ca 0.12 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1n23 h LYS 127 Cb 0.53 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1n23 h LYS 127 CO 0.03 0.12 -0.39 1.49 -0.57 0.00 0.00 179.45 180.13 1n23 h GLU 128 N -0.01 -0.61 -0.44 3.15 4.81 -1.01 0.58 114.58 121.06 1n23 h GLU 128 Ca 0.02 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1n23 h GLU 128 Cb 0.07 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1n23 h GLU 128 CO -0.00 -0.41 0.11 0.82 -0.73 0.00 0.00 179.01 178.80 1n23 h ILE 129 N -0.63 0.79 0.00 2.32 2.04 -1.26 -0.61 117.51 120.16 1n23 h ILE 129 Ca 0.02 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1n23 h ILE 129 Cb 0.66 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1n23 h ILE 129 CO -0.22 0.05 -0.10 -0.07 0.00 0.00 0.00 178.15 177.81 1n23 h LEU 130 N 0.25 0.00 -0.02 1.44 3.38 -0.75 -0.91 115.31 118.71 1n23 h LEU 130 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1n23 h LEU 130 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1n23 h LEU 130 CO -0.26 0.10 -0.05 1.23 0.09 0.00 0.00 178.44 179.54 1n23 h GLY 131 N 1.07 0.08 0.95 0.83 0.00 0.64 -2.15 103.07 104.49 1n23 h GLY 131 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1n23 h GLY 131 CO 0.01 0.09 -0.30 -2.08 0.00 0.00 0.00 176.54 174.26 1n23 h VAL 132 N -0.51 0.39 -1.00 4.60 2.07 -1.01 -2.42 116.25 118.37 1n23 h VAL 132 Ca -0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 1n23 h VAL 132 Cb 0.66 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1n23 h VAL 132 CO 0.01 0.00 0.68 0.40 0.02 0.00 0.00 177.57 178.68 1n23 h ILE 133 N -0.79 0.55 -0.12 4.57 2.04 -1.25 -1.75 117.51 120.76 1n23 h ILE 133 Ca -0.07 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1n23 h ILE 133 Cb 0.62 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1n23 h ILE 133 CO 0.11 0.05 -0.20 0.22 0.00 0.00 0.00 178.15 178.32 1n23 h TYR 134 N 0.25 0.43 0.01 1.37 3.20 -0.92 -3.15 116.97 118.15 1n23 h TYR 134 Ca 0.52 -0.15 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1n23 h TYR 134 Cb 1.60 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.78 1n23 h TYR 134 CO -0.00 0.81 -0.00 -0.91 -1.64 0.00 0.00 178.16 176.41 1n23 h ASN 135 N -0.08 -0.01 -0.03 -2.11 2.35 -0.93 -3.36 115.58 111.41 1n23 h ASN 135 Ca 0.01 -0.65 0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1n23 h ASN 135 Cb 0.77 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 1n23 h ASN 135 CO 0.05 0.66 -0.15 -0.33 -1.65 0.00 0.00 177.43 176.00 1n23 h GLU 136 N -0.68 -0.22 -6.47 0.81 5.08 -1.50 -3.40 114.58 108.20 1n23 h GLU 136 Ca -0.00 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.81 1n23 h GLU 136 Cb 0.66 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1n23 h GLU 136 CO 0.00 -0.15 0.90 -1.01 -1.00 0.00 0.00 179.01 177.76 1n23 s HIS 137 N -6.14 2.93 -0.71 4.33 3.76 -1.19 -4.91 115.29 113.36 1n23 s HIS 137 Ca -0.14 0.95 0.26 0.00 -0.15 0.00 0.00 55.06 55.98 1n23 s HIS 137 Cb 0.09 -4.02 0.77 0.00 1.11 0.00 0.00 32.58 30.52 1n23 s HIS 137 CO 0.67 -1.13 1.75 0.87 -0.85 0.00 0.00 174.74 176.04 1n23 h LYS 138 N 8.79 0.00 0.00 1.40 1.57 -1.85 -3.22 116.57 123.26 1n23 h LYS 138 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1n23 h LYS 138 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1n23 h LYS 138 CO 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.95 1n23 n PHE 140 N -1.22 1.15 -1.93 0.00 0.99 -1.22 -4.82 117.46 110.42 1n23 n PHE 140 Ca 0.02 -0.89 0.00 0.00 -0.00 0.00 0.00 57.45 56.58 1n23 n PHE 140 Cb 0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 39.48 38.14 1n23 n PHE 140 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1n23 n MET 148 N -0.36 0.00 -3.98 -1.08 0.00 -1.26 -4.64 117.12 105.79 1n23 n MET 148 Ca 0.23 -0.86 -0.35 0.00 0.00 0.00 0.00 57.70 56.73 1n23 n MET 148 Cb 0.96 -0.45 -0.09 0.00 0.00 0.00 0.00 33.22 33.64 1n23 n MET 148 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1n23 s ASP 149 N -0.82 5.75 0.06 7.83 2.15 -1.26 -5.00 116.67 125.38 1n23 s ASP 149 Ca 0.00 0.14 -0.14 0.00 0.43 0.00 0.00 52.55 52.98 1n23 s ASP 149 Cb 0.00 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.63 1n23 s ASP 149 CO 0.00 0.21 1.24 0.25 -0.17 0.00 0.00 175.17 176.70 1n23 h LEU 150 N 6.42 -0.87 -0.70 -1.34 5.85 -1.98 0.32 115.31 123.01 1n23 h LEU 150 Ca -0.40 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.53 1n23 h LEU 150 Cb 1.17 0.37 -0.11 0.00 0.37 0.00 0.00 40.66 42.46 1n23 h LEU 150 CO 0.69 -0.14 -0.48 0.22 -0.34 0.00 0.00 178.44 178.39 1n23 h TYR 151 N -0.09 -1.45 -0.90 1.25 3.20 -1.89 0.13 116.97 117.22 1n23 h TYR 151 Ca 0.05 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1n23 h TYR 151 Cb 0.22 0.73 -0.04 0.00 1.54 0.00 0.00 36.73 39.18 1n23 h TYR 151 CO -0.81 -0.42 0.50 0.35 -1.64 0.00 0.00 178.16 176.14 1n23 h PHE 152 N -0.18 1.22 -0.03 -3.82 3.57 -1.84 -1.45 116.94 114.42 1n23 h PHE 152 Ca 0.18 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1n23 h PHE 152 Cb 0.54 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1n23 h PHE 152 CO -0.80 0.84 -0.00 1.15 -2.23 0.00 0.00 178.31 177.26 1n23 h THR 153 N 1.25 1.27 -0.24 4.41 2.02 0.13 -1.33 112.91 120.42 1n23 h THR 153 Ca 0.32 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 1n23 h THR 153 Cb 0.01 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1n23 h THR 153 CO -0.05 0.22 0.05 0.00 0.37 0.00 0.00 175.52 176.10 1n23 h ALA 154 N 0.67 0.32 -0.44 6.16 0.00 -0.79 -0.40 119.26 124.77 1n23 h ALA 154 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1n23 h ALA 154 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1n23 h ALA 154 CO 0.00 -0.01 0.27 1.25 0.00 0.00 0.00 179.25 180.76 1n23 h LEU 155 N 0.21 0.52 -0.77 0.00 5.85 -1.31 -0.81 115.31 119.00 1n23 h LEU 155 Ca 0.07 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 1n23 h LEU 155 Cb 0.31 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1n23 h LEU 155 CO 0.00 0.42 -0.28 1.23 -0.34 0.00 0.00 178.44 179.47 1n23 h GLY 156 N 0.58 0.67 1.00 3.75 0.00 -1.21 -2.09 103.07 105.78 1n23 h GLY 156 Ca 0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1n23 h GLY 156 CO -0.03 0.53 -0.12 -2.75 0.00 0.00 0.00 176.54 174.17 1n23 h PHE 157 N 0.53 -0.32 0.39 5.60 3.57 -0.71 -0.59 116.94 125.41 1n23 h PHE 157 Ca 0.07 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1n23 h PHE 157 Cb 0.75 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1n23 h PHE 157 CO 0.03 -0.20 -0.38 -0.09 -2.23 0.00 0.00 178.31 175.44 1n23 h ARG 158 N -0.35 -0.76 -0.73 1.11 2.43 -1.03 -0.86 114.38 114.19 1n23 h ARG 158 Ca -0.04 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1n23 h ARG 158 Cb 0.27 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1n23 h ARG 158 CO 0.06 -0.51 0.45 -0.07 -1.51 0.00 0.00 179.97 178.39 1n23 h LEU 159 N -0.79 0.87 -0.39 3.80 3.38 -1.40 -2.02 115.31 118.76 1n23 h LEU 159 Ca -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1n23 h LEU 159 Cb 0.71 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1n23 h LEU 159 CO -0.06 0.67 0.17 -0.07 0.09 0.00 0.00 178.44 179.23 1n23 h LEU 160 N 1.00 0.52 -0.04 1.67 3.38 -0.95 -2.39 115.31 118.50 1n23 h LEU 160 Ca 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1n23 h LEU 160 Cb -0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1n23 h LEU 160 CO -0.05 0.53 0.00 -0.09 0.09 0.00 0.00 178.44 178.92 1n23 h ARG 161 N 0.48 0.07 -0.63 1.13 2.43 -1.04 -1.52 114.38 115.30 1n23 h ARG 161 Ca 0.13 -0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.44 1n23 h ARG 161 Cb 0.16 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1n23 h ARG 161 CO -0.01 0.33 0.44 1.96 -1.51 0.00 0.00 179.97 181.18 1n23 h GLN 162 N -0.20 0.11 -0.63 0.20 4.20 -1.35 -0.19 115.11 117.25 1n23 h GLN 162 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1n23 h GLN 162 Cb 0.29 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1n23 h GLN 162 CO 0.00 0.07 0.00 0.72 -0.67 0.00 0.00 178.83 178.95 1n23 n HIS 163 N -4.39 0.81 0.00 2.96 8.25 -0.90 -4.92 115.22 117.02 1n23 n HIS 163 Ca 0.12 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1n23 n HIS 163 Cb 0.62 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1n23 n HIS 163 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n23 n GLY 164 N 0.59 2.39 3.77 -1.41 0.00 -0.08 -5.05 105.19 105.39 1n23 n GLY 164 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1n23 n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n23 s PHE 165 N -2.34 2.71 -0.68 1.61 0.40 -0.59 -4.95 117.98 114.13 1n23 s PHE 165 Ca 0.00 1.39 -0.21 0.00 -0.60 0.00 0.00 56.93 57.51 1n23 s PHE 165 Cb 0.00 -3.71 0.09 0.00 0.51 0.00 0.00 43.02 39.91 1n23 s PHE 165 CO 0.00 -2.28 0.90 1.21 0.70 0.00 0.00 175.22 175.75 1n23 s ASN 166 N -0.75 6.25 -0.04 1.36 2.47 -1.26 -4.21 114.94 118.76 1n23 s ASN 166 Ca 0.59 -1.32 0.03 0.00 0.42 0.00 0.00 52.86 52.59 1n23 s ASN 166 Cb -0.39 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.01 1n23 s ASN 166 CO 0.49 -1.27 -0.13 -0.63 -3.72 0.00 0.00 177.10 171.84 1n23 s ILE 167 N 3.36 3.18 0.36 -5.21 -1.09 -1.26 -5.10 121.20 115.43 1n23 s ILE 167 Ca 0.20 -0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 57.85 1n23 s ILE 167 Cb -0.17 -2.27 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 1n23 s ILE 167 CO 0.06 0.56 0.64 -0.55 -1.23 0.00 0.00 174.94 174.42 1n23 s SER 168 N -0.84 6.40 0.49 3.58 0.15 -1.26 -4.97 113.70 117.26 1n23 s SER 168 Ca 0.12 0.79 0.29 0.00 0.70 0.00 0.00 55.95 57.85 1n23 s SER 168 Cb -0.11 -2.18 1.09 0.00 -1.71 0.00 0.00 66.02 63.12 1n23 s SER 168 CO 0.01 -0.32 1.89 0.06 1.20 0.00 0.00 173.24 176.08 1n23 h GLN 169 N 1.18 0.00 0.00 5.44 3.07 -2.00 -2.98 115.11 119.83 1n23 h GLN 169 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1n23 h GLN 169 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1n23 h GLN 169 CO 0.64 0.10 0.15 -0.44 0.09 0.00 0.00 178.83 179.37 1n23 h ASP 170 N 0.00 0.00 0.02 0.06 3.32 -1.99 -1.60 116.42 116.23 1n23 h ASP 170 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n23 h ASP 170 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1n23 h ASP 170 CO 0.01 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.05 1n23 n VAL 171 N -2.78 1.71 0.52 -1.35 0.31 -1.13 -0.79 118.33 114.82 1n23 n VAL 171 Ca -0.02 0.43 0.06 0.00 -0.01 0.00 0.00 64.34 64.80 1n23 n VAL 171 Cb 0.20 -1.41 0.05 0.00 -0.91 0.00 0.00 33.84 31.77 1n23 n VAL 171 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1n23 n PHE 172 N -1.44 0.00 -0.26 3.52 3.01 -0.60 -4.61 117.46 117.08 1n23 n PHE 172 Ca 0.00 -0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1n23 n PHE 172 Cb 0.01 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.53 1n23 n PHE 172 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1n23 h ASN 173 N 2.46 0.95 0.00 4.37 -0.26 -1.15 -2.44 115.58 119.52 1n23 h ASN 173 Ca 0.00 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1n23 h ASN 173 Cb 0.52 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 1n23 h ASN 173 CO 0.00 0.81 0.00 0.00 -1.06 0.00 0.00 177.43 177.18 1n23 n PHE 175 N -0.67 0.00 -2.88 0.00 3.01 -0.92 -5.00 117.46 110.99 1n23 n PHE 175 Ca 0.01 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.13 1n23 n PHE 175 Cb 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.41 1n23 n PHE 175 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1n23 s LYS 176 N -1.05 4.23 1.09 -1.08 1.02 -0.29 -0.96 119.74 122.69 1n23 s LYS 176 Ca 0.10 1.05 -0.17 0.00 0.02 0.00 0.00 55.97 56.97 1n23 s LYS 176 Cb 0.08 -2.31 0.13 0.00 -0.52 0.00 0.00 37.83 35.21 1n23 s LYS 176 CO 0.18 0.05 0.09 0.27 -0.92 0.00 0.00 175.35 175.02 1n23 n ASN 177 N -0.42 -2.73 -0.40 2.83 0.23 0.66 -4.52 115.26 110.91 1n23 n ASN 177 Ca 0.06 -0.26 -0.08 0.00 -0.53 0.00 0.00 54.58 53.76 1n23 n ASN 177 Cb 0.53 -0.86 -0.07 0.00 -2.08 0.00 0.00 39.78 37.31 1n23 n ASN 177 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1n23 n GLU 178 N -1.93 -0.38 0.09 -3.83 1.02 -1.26 -2.27 120.64 112.09 1n23 n GLU 178 Ca 0.03 1.46 -0.04 0.00 -0.02 0.00 0.00 57.16 58.59 1n23 n GLU 178 Cb 0.52 -2.15 -0.02 0.00 -0.02 0.00 0.00 31.44 29.78 1n23 n GLU 178 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1n23 h LYS 179 N 0.00 -0.23 0.00 3.49 3.64 -1.96 -3.48 116.57 118.03 1n23 h LYS 179 Ca 0.19 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1n23 h LYS 179 Cb 0.43 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1n23 h LYS 179 CO -0.92 -0.15 0.00 0.41 -2.27 0.00 0.00 179.45 176.52 1n23 n GLY 180 N -1.04 0.99 0.16 5.01 0.00 -0.96 -5.06 105.19 104.29 1n23 n GLY 180 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1n23 n GLY 180 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1n23 n ILE 181 N 0.00 1.39 -4.20 -0.61 5.41 -1.26 -4.94 119.36 115.15 1n23 n ILE 181 Ca 0.00 -0.45 -0.09 0.00 1.00 0.00 0.00 62.75 63.21 1n23 n ILE 181 Cb 0.00 -1.58 -0.02 0.00 -0.71 0.00 0.00 39.64 37.32 1n23 n ILE 181 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1n23 n ASP 182 N -3.65 1.47 -4.88 4.38 8.00 -1.26 -5.01 116.55 115.60 1n23 n ASP 182 Ca -0.46 -1.75 -0.32 0.00 0.71 0.00 0.00 54.79 52.97 1n23 n ASP 182 Cb 0.91 0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 42.24 1n23 n ASP 182 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1n23 s PHE 183 N -1.93 3.46 -0.14 1.24 0.40 -1.26 -0.24 117.98 119.50 1n23 s PHE 183 Ca 0.05 0.75 -0.34 0.00 -0.60 0.00 0.00 56.93 56.79 1n23 s PHE 183 Cb 0.00 -2.16 -0.11 0.00 0.51 0.00 0.00 43.02 41.27 1n23 s PHE 183 CO 0.04 0.35 1.96 1.63 0.70 0.00 0.00 175.22 179.90 1n23 n LYS 184 N 0.02 2.04 0.00 0.44 5.02 -0.14 -4.42 118.16 121.12 1n23 n LYS 184 Ca -0.01 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1n23 n LYS 184 Cb 0.52 -2.70 0.01 0.00 -0.02 0.00 0.00 35.03 32.85 1n23 n LYS 184 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n23 n ALA 185 N 7.66 1.08 0.88 7.82 0.00 -1.26 -1.10 120.51 135.58 1n23 n ALA 185 Ca 0.26 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.80 1n23 n ALA 185 Cb 0.31 -1.01 0.50 0.00 0.00 0.00 0.00 19.45 19.25 1n23 n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n23 n SER 186 N -1.45 0.00 0.09 0.00 3.41 -1.26 -2.44 113.62 111.97 1n23 n SER 186 Ca 0.00 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1n23 n SER 186 Cb 0.01 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 63.60 1n23 n SER 186 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1n23 h LEU 187 N 0.00 0.00 0.00 1.04 3.38 -1.49 -3.35 115.31 114.90 1n23 h LEU 187 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1n23 h LEU 187 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n23 h LEU 187 CO 0.00 0.04 0.01 0.00 0.09 0.00 0.00 178.44 178.58 1n23 n ALA 188 N -2.06 1.22 -0.02 1.53 0.00 -1.02 -1.18 120.51 118.98 1n23 n ALA 188 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 1n23 n ALA 188 Cb 0.51 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.87 1n23 n ALA 188 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1n23 h GLN 189 N 0.00 0.20 -5.00 0.00 4.20 -1.80 -3.42 115.11 109.29 1n23 h GLN 189 Ca 0.00 -0.35 -0.45 0.00 0.06 0.00 0.00 58.65 57.91 1n23 h GLN 189 Cb 0.02 0.13 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1n23 h GLN 189 CO 0.00 1.17 1.45 -3.47 -0.67 0.00 0.00 178.83 177.31 1n23 n ASP 190 N -3.75 2.43 -0.08 1.46 2.03 -0.33 -4.73 116.55 113.58 1n23 n ASP 190 Ca -0.31 -2.65 -0.07 0.00 0.52 0.00 0.00 54.79 52.28 1n23 n ASP 190 Cb 0.95 -1.35 -0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1n23 n ASP 190 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1n23 h THR 191 N 5.45 0.76 -0.93 5.18 2.02 -1.81 0.27 112.91 123.85 1n23 h THR 191 Ca 0.28 -0.02 0.16 0.00 0.77 0.00 0.00 66.41 67.60 1n23 h THR 191 Cb 0.81 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 67.85 1n23 h THR 191 CO 1.58 0.01 0.59 0.50 0.37 0.00 0.00 175.52 178.57 1n23 h LYS 192 N 0.05 0.65 0.15 6.66 3.64 -1.97 -1.18 116.57 124.58 1n23 h LYS 192 Ca 0.14 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.19 1n23 h LYS 192 Cb 0.20 -0.15 0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1n23 h LYS 192 CO -0.26 0.43 -1.28 0.78 -2.27 0.00 0.00 179.45 176.86 1n23 h GLY 193 N 0.67 0.49 0.79 5.01 0.00 -1.56 -3.28 103.07 105.20 1n23 h GLY 193 Ca 0.49 -1.16 0.03 0.00 0.00 0.00 0.00 47.33 46.69 1n23 h GLY 193 CO -0.24 1.01 0.11 -0.33 0.00 0.00 0.00 176.54 177.09 1n23 h MET 194 N 0.15 0.24 -0.66 4.80 2.86 0.62 -1.75 114.93 121.19 1n23 h MET 194 Ca -0.17 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1n23 h MET 194 Cb 1.98 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 33.49 1n23 h MET 194 CO 0.23 0.16 0.20 1.25 1.06 0.00 0.00 176.91 179.80 1n23 h LEU 195 N 0.24 0.11 -1.30 1.22 5.85 -1.40 0.29 115.31 120.33 1n23 h LEU 195 Ca 0.12 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 1n23 h LEU 195 Cb 0.08 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1n23 h LEU 195 CO -0.12 0.05 -0.14 1.56 -0.34 0.00 0.00 178.44 179.45 1n23 h GLN 196 N 0.33 0.29 -0.23 1.25 1.08 -1.49 -1.01 115.11 115.34 1n23 h GLN 196 Ca 0.35 -0.07 -0.18 0.00 -1.45 0.00 0.00 58.65 57.29 1n23 h GLN 196 Cb 0.52 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1n23 h GLN 196 CO -0.40 0.44 -0.57 1.25 -0.95 0.00 0.00 178.83 178.60 1n23 h LEU 197 N 0.28 0.90 0.02 1.46 5.85 0.05 -1.79 115.31 122.07 1n23 h LEU 197 Ca 0.05 -0.56 0.01 0.00 0.84 0.00 0.00 57.88 58.22 1n23 h LEU 197 Cb 0.43 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1n23 h LEU 197 CO 0.03 1.30 -0.06 0.22 -0.34 0.00 0.00 178.44 179.59 1n23 h TYR 198 N 0.54 -0.15 -0.32 1.25 3.20 -0.12 -1.57 116.97 119.80 1n23 h TYR 198 Ca -0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1n23 h TYR 198 Cb 1.18 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.50 1n23 h TYR 198 CO 0.08 -0.09 0.19 0.93 -1.64 0.00 0.00 178.16 177.63 1n23 h GLU 199 N -0.11 0.44 -0.01 1.82 4.39 -1.21 -2.81 114.58 117.09 1n23 h GLU 199 Ca 0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1n23 h GLU 199 Cb 0.13 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1n23 h GLU 199 CO -0.05 0.35 -0.06 0.00 -1.16 0.00 0.00 179.01 178.08 1n23 h ALA 200 N 1.06 1.88 0.00 3.43 0.00 -1.14 -2.78 119.26 121.71 1n23 h ALA 200 Ca 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1n23 h ALA 200 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n23 h ALA 200 CO -0.02 0.09 -0.13 0.66 0.00 0.00 0.00 179.25 179.86 1n23 h SER 201 N 0.01 0.00 0.09 0.00 4.64 -1.01 -2.62 113.55 114.67 1n23 h SER 201 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n23 h SER 201 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1n23 h SER 201 CO 0.01 0.13 0.00 0.49 -0.87 0.00 0.00 176.83 176.58 1n23 n PHE 202 N -3.75 0.00 -0.30 4.77 3.01 -1.05 -2.83 117.46 117.32 1n23 n PHE 202 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.52 1n23 n PHE 202 Cb 0.23 -0.05 0.31 0.00 -0.01 0.00 0.00 39.48 39.97 1n23 n PHE 202 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1n23 n LEU 203 N -1.05 4.18 -4.72 4.37 4.32 -0.99 -4.91 117.00 118.21 1n23 n LEU 203 Ca 0.21 -2.11 -0.32 0.00 -0.02 0.00 0.00 56.01 53.77 1n23 n LEU 203 Cb 0.13 -0.54 0.11 0.00 -1.62 0.00 0.00 43.42 41.50 1n23 n LEU 203 CO 0.18 0.70 0.73 -1.48 -1.22 0.00 0.00 177.39 176.31 1n23 s LEU 204 N -1.67 3.12 0.45 2.23 2.34 -1.13 -5.01 118.68 119.01 1n23 s LEU 204 Ca 0.44 2.16 0.03 0.00 0.06 0.00 0.00 54.13 56.82 1n23 s LEU 204 Cb 0.29 -4.56 -0.01 0.00 -0.56 0.00 0.00 46.19 41.34 1n23 s LEU 204 CO 0.21 -2.42 0.11 -0.13 -1.06 0.00 0.00 176.35 173.06 1n23 s ARG 205 N -4.37 2.05 0.16 1.48 0.52 -1.26 -4.60 118.95 112.93 1n23 s ARG 205 Ca 0.68 -2.28 -0.34 0.00 -0.52 0.00 0.00 55.73 53.28 1n23 s ARG 205 Cb -0.24 -0.78 -0.14 0.00 0.52 0.00 0.00 34.95 34.31 1n23 s ARG 205 CO 0.51 -0.50 1.47 1.17 0.02 0.00 0.00 175.30 177.97 1n23 n LYS 206 N -1.04 1.87 -0.88 3.54 4.81 -1.26 -2.35 118.16 122.85 1n23 n LYS 206 Ca -0.10 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1n23 n LYS 206 Cb 0.65 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1n23 n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n23 n GLY 207 N 2.91 1.22 3.13 3.14 0.00 -1.26 -4.96 105.19 109.37 1n23 n GLY 207 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1n23 n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n23 n GLU 208 N -2.00 3.50 0.26 1.61 1.02 -0.99 -4.78 120.64 119.26 1n23 n GLU 208 Ca 0.00 -3.64 0.12 0.00 -0.02 0.00 0.00 57.16 53.62 1n23 n GLU 208 Cb 0.00 -2.99 0.73 0.00 -0.02 0.00 0.00 31.44 29.16 1n23 n GLU 208 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1n23 h ASP 209 N 6.36 0.00 -0.60 1.62 3.32 -1.93 -2.70 116.42 122.49 1n23 h ASP 209 Ca 0.37 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 1n23 h ASP 209 Cb 0.73 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1n23 h ASP 209 CO 1.47 0.10 0.23 0.74 -1.72 0.00 0.00 179.24 180.05 1n23 h THR 210 N 0.00 1.23 -0.16 0.35 2.02 -1.94 -1.35 112.91 113.05 1n23 h THR 210 Ca -0.00 -0.74 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 1n23 h THR 210 Cb 0.24 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1n23 h THR 210 CO 0.01 0.29 -0.33 -0.07 0.37 0.00 0.00 175.52 175.79 1n23 h LEU 211 N 0.83 0.33 -0.48 2.58 3.38 -1.83 0.17 115.31 120.29 1n23 h LEU 211 Ca 0.20 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1n23 h LEU 211 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1n23 h LEU 211 CO -0.01 0.65 -0.12 -0.08 0.09 0.00 0.00 178.44 178.97 1n23 h GLU 212 N 0.28 0.93 -0.43 1.13 4.57 -1.46 -0.65 114.58 118.95 1n23 h GLU 212 Ca 0.04 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1n23 h GLU 212 Cb 0.73 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1n23 h GLU 212 CO 0.06 1.02 0.20 1.25 -1.18 0.00 0.00 179.01 180.35 1n23 h LEU 213 N 0.78 0.57 -1.30 1.64 5.85 -0.79 -2.21 115.31 119.85 1n23 h LEU 213 Ca 0.12 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1n23 h LEU 213 Cb 0.67 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1n23 h LEU 213 CO 0.05 0.55 0.49 0.00 -0.34 0.00 0.00 178.44 179.19 1n23 h ALA 214 N 1.04 1.55 0.70 1.25 0.00 -0.38 -1.93 119.26 121.50 1n23 h ALA 214 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1n23 h ALA 214 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1n23 h ALA 214 CO -0.02 0.38 -0.35 -0.09 0.00 0.00 0.00 179.25 179.17 1n23 h ARG 215 N 0.92 -0.93 -0.98 0.00 2.43 -0.50 0.59 114.38 115.91 1n23 h ARG 215 Ca 0.29 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.59 1n23 h ARG 215 Cb 0.02 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 1n23 h ARG 215 CO -0.08 -0.62 0.63 0.93 -1.51 0.00 0.00 179.97 179.32 1n23 h GLU 216 N -0.97 1.10 0.65 0.20 5.08 -1.29 0.68 114.58 120.03 1n23 h GLU 216 Ca -0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1n23 h GLU 216 Cb 0.75 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1n23 h GLU 216 CO 0.15 0.73 -0.31 0.35 -1.00 0.00 0.00 179.01 178.92 1n23 h PHE 217 N 1.13 -0.81 -0.45 4.33 3.57 -1.18 -2.63 116.94 120.90 1n23 h PHE 217 Ca 0.43 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.96 1n23 h PHE 217 Cb 0.19 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1n23 h PHE 217 CO -0.01 -0.50 0.30 0.00 -2.23 0.00 0.00 178.31 175.87 1n23 h ALA 218 N -1.43 1.89 -0.26 2.41 0.00 -0.78 -2.46 119.26 118.63 1n23 h ALA 218 Ca -0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1n23 h ALA 218 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1n23 h ALA 218 CO 0.15 0.04 0.03 1.15 0.00 0.00 0.00 179.25 180.62 1n23 h THR 219 N 0.42 1.24 -0.14 0.00 2.02 -0.87 -2.50 112.91 113.08 1n23 h THR 219 Ca 0.19 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1n23 h THR 219 Cb 0.23 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1n23 h THR 219 CO -0.05 0.26 0.09 0.11 0.37 0.00 0.00 175.52 176.30 1n23 h LYS 220 N 0.24 0.20 0.01 6.66 1.57 -1.06 -1.84 116.57 122.35 1n23 h LYS 220 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1n23 h LYS 220 Cb 0.35 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1n23 h LYS 220 CO 0.01 0.17 -0.03 0.00 -0.57 0.00 0.00 179.45 179.03 1n23 h LEU 222 N -0.04 0.38 -0.55 0.00 3.38 -1.50 0.18 115.31 117.15 1n23 h LEU 222 Ca -0.00 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1n23 h LEU 222 Cb 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1n23 h LEU 222 CO -0.01 0.04 -0.04 -0.61 0.09 0.00 0.00 178.44 177.91 1n23 h GLN 223 N 0.32 1.01 -0.31 1.13 5.75 -0.92 -2.99 115.11 119.10 1n23 h GLN 223 Ca 0.62 -0.34 -0.18 0.00 -0.15 0.00 0.00 58.65 58.60 1n23 h GLN 223 Cb 1.71 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.17 1n23 h GLN 223 CO -0.29 1.03 -0.50 0.87 -2.65 0.00 0.00 178.83 177.29 1n23 h LYS 224 N 0.89 0.87 0.00 1.69 1.57 -0.01 -2.59 116.57 118.99 1n23 h LYS 224 Ca 0.15 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1n23 h LYS 224 Cb 0.60 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1n23 h LYS 224 CO 0.04 1.16 0.00 1.63 -0.57 0.00 0.00 179.45 181.71 1n23 n LYS 225 N -4.02 0.11 0.00 3.15 5.02 -0.75 0.04 118.16 121.71 1n23 n LYS 225 Ca -0.04 0.22 0.09 0.00 -2.02 0.00 0.00 58.31 56.56 1n23 n LYS 225 Cb 0.60 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 1n23 n LYS 225 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1n23 n LEU 226 N -1.30 1.54 -1.21 -0.35 7.94 -0.98 -4.95 117.00 117.68 1n23 n LEU 226 Ca 0.04 -0.69 0.12 0.00 -1.11 0.00 0.00 56.01 54.36 1n23 n LEU 226 Cb 0.07 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.27 1n23 n LEU 226 CO 0.06 0.30 0.73 0.47 -1.11 0.00 0.00 177.39 177.85 1n23 n ASP 227 N -0.44 3.58 -4.18 1.96 8.00 0.11 -5.10 116.55 120.47 1n23 n ASP 227 Ca 0.07 -1.99 -0.36 0.00 0.71 0.00 0.00 54.79 53.21 1n23 n ASP 227 Cb 0.36 -0.32 -0.13 0.00 -0.02 0.00 0.00 41.12 41.02 1n23 n ASP 227 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n23 s GLU 232 N -1.36 2.35 0.33 -1.24 0.41 -1.26 -4.98 118.70 112.95 1n23 s GLU 232 Ca 0.42 -1.40 0.02 0.00 -0.41 0.00 0.00 54.97 53.60 1n23 s GLU 232 Cb 0.24 -3.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.21 1n23 s GLU 232 CO 0.32 -0.76 0.51 0.42 -0.49 0.00 0.00 175.26 175.26 1n23 s ILE 233 N 1.25 4.88 0.30 -1.63 1.01 -1.26 -5.04 121.20 120.71 1n23 s ILE 233 Ca -0.01 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.71 1n23 s ILE 233 Cb -0.21 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.36 1n23 s ILE 233 CO -0.01 -0.42 0.74 -0.67 0.00 0.00 0.00 174.94 174.58 1n23 n ASP 234 N -1.71 -0.03 0.31 3.58 -0.08 -1.26 -4.84 116.55 112.51 1n23 n ASP 234 Ca -0.05 1.09 -0.17 0.00 -1.51 0.00 0.00 54.79 54.15 1n23 n ASP 234 Cb 0.57 -1.15 -0.09 0.00 2.34 0.00 0.00 41.12 42.79 1n23 n ASP 234 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1n23 h GLU 235 N 1.37 -0.96 0.25 -0.67 5.08 -2.00 -2.22 114.58 115.44 1n23 h GLU 235 Ca -0.37 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1n23 h GLU 235 Cb 1.38 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1n23 h GLU 235 CO 0.57 -0.64 -0.26 -0.91 -1.00 0.00 0.00 179.01 176.77 1n23 h ASN 236 N -1.00 -0.70 -0.84 1.42 2.35 -1.97 -1.44 115.58 113.40 1n23 h ASN 236 Ca -0.07 0.06 0.24 0.00 -0.55 0.00 0.00 56.30 55.99 1n23 h ASN 236 Cb 0.85 0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 1n23 h ASN 236 CO -0.02 -0.37 0.72 0.25 -1.65 0.00 0.00 177.43 176.36 1n23 h LEU 237 N -0.55 0.00 0.06 1.61 5.85 -1.93 0.53 115.31 120.88 1n23 h LEU 237 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 1n23 h LEU 237 Cb 0.51 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.56 1n23 h LEU 237 CO -0.06 0.00 -1.08 0.25 -0.34 0.00 0.00 178.44 177.21 1n23 h LEU 238 N 0.00 0.84 -0.83 2.25 5.85 -0.64 -2.45 115.31 120.34 1n23 h LEU 238 Ca 0.40 -0.79 -0.09 0.00 0.84 0.00 0.00 57.88 58.24 1n23 h LEU 238 Cb 1.84 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 1n23 h LEU 238 CO -0.00 1.53 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.50 1n23 h LEU 239 N 0.25 0.79 -0.73 2.25 3.38 0.58 -1.94 115.31 119.90 1n23 h LEU 239 Ca -0.15 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 1n23 h LEU 239 Cb 1.76 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1n23 h LEU 239 CO 0.21 0.89 -0.26 -0.25 0.09 0.00 0.00 178.44 179.12 1n23 h TRP 240 N 0.75 0.79 -0.32 1.13 2.91 -1.00 -2.30 115.95 117.90 1n23 h TRP 240 Ca 0.13 -0.19 -0.14 0.00 1.13 0.00 0.00 58.89 59.83 1n23 h TRP 240 Cb 0.54 -0.19 -0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1n23 h TRP 240 CO 0.03 0.88 -0.34 0.82 -1.03 0.00 0.00 178.44 178.80 1n23 h ILE 241 N 0.60 1.29 0.00 2.65 2.04 -1.17 -1.56 117.51 121.36 1n23 h ILE 241 Ca 0.08 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.39 1n23 h ILE 241 Cb 0.75 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1n23 h ILE 241 CO 0.06 0.49 -0.19 -0.09 0.00 0.00 0.00 178.15 178.42 1n23 h ARG 242 N 0.56 0.00 0.21 2.37 2.43 -1.27 -0.85 114.38 117.82 1n23 h ARG 242 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1n23 h ARG 242 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1n23 h ARG 242 CO 0.08 0.19 -0.10 1.25 -1.51 0.00 0.00 179.97 179.88 1n23 h HIS 243 N 0.00 -0.26 0.00 2.20 2.76 -1.16 -3.15 115.15 115.54 1n23 h HIS 243 Ca -0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1n23 h HIS 243 Cb 0.45 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 1n23 h HIS 243 CO 0.00 0.14 -0.06 0.77 -1.30 0.00 0.00 177.93 177.48 1n23 h SER 244 N -0.88 0.00 0.70 3.26 0.02 -1.11 -2.25 113.55 113.29 1n23 h SER 244 Ca -0.03 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1n23 h SER 244 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1n23 h SER 244 CO 0.05 0.06 -0.80 -0.07 -1.14 0.00 0.00 176.83 174.93 1n23 h LEU 245 N 0.00 0.09 -0.20 5.07 3.38 -1.22 -2.32 115.31 120.11 1n23 h LEU 245 Ca -0.00 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1n23 h LEU 245 Cb 0.32 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1n23 h LEU 245 CO 0.01 0.85 -0.26 0.44 0.09 0.00 0.00 178.44 179.57 1n23 h ASP 246 N 0.04 0.58 -2.49 -0.43 3.32 -1.37 -3.44 116.42 112.62 1n23 h ASP 246 Ca -0.02 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 1n23 h ASP 246 Cb 1.40 -0.16 -0.24 0.00 0.22 0.00 0.00 39.33 40.55 1n23 h ASP 246 CO 0.11 0.97 -0.21 -0.76 -1.72 0.00 0.00 179.24 177.63 1n23 s LEU 247 N -8.96 -0.81 1.01 1.55 1.43 -0.99 -5.14 118.68 106.78 1n23 s LEU 247 Ca -0.13 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.13 1n23 s LEU 247 Cb 0.07 1.86 0.20 0.00 0.03 0.00 0.00 46.19 48.35 1n23 s LEU 247 CO 0.80 -0.22 1.08 -2.16 0.23 0.00 0.00 176.35 176.07 1n23 s PRO 248 N 2.42 0.26 0.33 1.29 0.04 -0.88 -3.96 135.00 134.51 1n23 s PRO 248 Ca -0.06 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.03 1n23 s PRO 248 Cb -0.10 -1.68 0.61 0.00 0.04 0.00 0.00 34.50 33.36 1n23 s PRO 248 CO -0.16 -2.98 1.97 -0.07 0.04 0.00 0.00 177.00 175.80 1n23 h LEU 249 N -2.09 0.79 -2.79 -3.56 3.38 -1.92 -0.84 115.31 108.28 1n23 h LEU 249 Ca -0.53 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 1n23 h LEU 249 Cb 1.30 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1n23 h LEU 249 CO 0.49 0.54 -0.00 -0.74 0.09 0.00 0.00 178.44 178.82 1n23 h HIS 250 N 0.91 0.00 -0.51 1.13 2.76 -1.90 -0.28 115.15 117.26 1n23 h HIS 250 Ca 0.30 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1n23 h HIS 250 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1n23 h HIS 250 CO -0.00 0.00 0.00 0.91 -1.30 0.00 0.00 177.93 177.54 1n23 n TRP 251 N -3.16 1.27 -4.43 5.26 7.02 -0.33 -4.98 117.44 118.10 1n23 n TRP 251 Ca -0.03 -0.67 -0.22 0.00 -1.02 0.00 0.00 57.50 55.57 1n23 n TRP 251 Cb 0.10 -0.25 -0.10 0.00 -2.42 0.00 0.00 31.31 28.63 1n23 n TRP 251 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1n23 s ARG 252 N -2.03 1.55 -0.11 -0.99 0.52 -0.12 -4.80 118.95 112.97 1n23 s ARG 252 Ca 0.45 -1.73 0.03 0.00 -0.52 0.00 0.00 55.73 53.96 1n23 s ARG 252 Cb 0.31 -1.38 0.01 0.00 0.52 0.00 0.00 34.95 34.40 1n23 s ARG 252 CO 0.19 0.18 -0.20 0.42 0.02 0.00 0.00 175.30 175.90 1n23 s ILE 253 N -2.81 1.84 0.18 1.52 1.01 -1.26 -4.98 121.20 116.69 1n23 s ILE 253 Ca 0.28 -0.87 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1n23 s ILE 253 Cb -0.00 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.93 1n23 s ILE 253 CO 0.12 0.51 1.75 -0.61 0.00 0.00 0.00 174.94 176.70 1n23 h GLN 254 N 7.00 0.33 0.00 2.79 -0.00 -1.93 -1.77 115.11 121.54 1n23 h GLN 254 Ca -0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1n23 h GLN 254 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.62 1n23 h GLN 254 CO 0.49 0.22 0.00 0.66 0.00 0.00 0.00 178.83 180.20 1n23 h SER 255 N 0.34 0.00 0.20 -0.69 4.64 -1.91 0.29 113.55 116.41 1n23 h SER 255 Ca 0.22 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.19 1n23 h SER 255 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1n23 h SER 255 CO -0.23 0.00 -1.88 0.58 -0.87 0.00 0.00 176.83 174.44 1n23 h VAL 256 N 0.00 0.76 -0.51 0.95 2.07 -1.67 -3.39 116.25 114.47 1n23 h VAL 256 Ca 0.00 -2.45 -0.27 0.00 0.82 0.00 0.00 66.70 64.80 1n23 h VAL 256 Cb 0.22 2.59 -0.16 0.00 -1.52 0.00 0.00 31.29 32.41 1n23 h VAL 256 CO 0.00 0.85 0.07 -0.62 0.02 0.00 0.00 177.57 177.89 1n23 n GLU 257 N -3.47 1.96 -0.20 1.57 1.02 -0.82 -4.75 120.64 115.95 1n23 n GLU 257 Ca -0.28 -3.18 0.01 0.00 -0.02 0.00 0.00 57.16 53.69 1n23 n GLU 257 Cb 1.06 -1.91 0.11 0.00 -0.02 0.00 0.00 31.44 30.67 1n23 n GLU 257 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n23 h ALA 258 N 1.04 0.67 -0.25 0.62 0.00 -1.14 -1.84 119.26 118.36 1n23 h ALA 258 Ca 0.32 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.40 1n23 h ALA 258 Cb 1.90 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 1n23 h ALA 258 CO 0.57 -0.34 0.11 -0.09 0.00 0.00 0.00 179.25 179.50 1n23 h ARG 259 N 0.20 0.23 -0.78 0.00 2.43 -1.87 -0.87 114.38 113.72 1n23 h ARG 259 Ca 0.31 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 1n23 h ARG 259 Cb 0.49 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 1n23 h ARG 259 CO -0.44 0.15 0.48 2.35 -1.51 0.00 0.00 179.97 181.00 1n23 h TRP 260 N 0.24 0.90 -0.36 2.20 7.01 -1.73 0.43 115.95 124.63 1n23 h TRP 260 Ca 0.11 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.99 1n23 h TRP 260 Cb 0.05 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 1n23 h TRP 260 CO -0.11 0.48 -0.34 0.74 -2.79 0.00 0.00 178.44 176.41 1n23 h PHE 261 N 0.91 1.04 -0.41 2.65 -1.00 -1.07 -1.64 116.94 117.41 1n23 h PHE 261 Ca 0.33 -0.31 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 1n23 h PHE 261 Cb 0.11 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.43 1n23 h PHE 261 CO -0.04 1.11 0.05 0.82 -1.61 0.00 0.00 178.31 178.64 1n23 h ILE 262 N 0.67 1.25 -0.67 -0.55 2.04 -0.85 -1.55 117.51 117.85 1n23 h ILE 262 Ca 0.06 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.04 1n23 h ILE 262 Cb 0.93 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1n23 h ILE 262 CO 0.09 0.31 0.41 0.44 0.00 0.00 0.00 178.15 179.40 1n23 h ASP 263 N 0.54 0.67 -0.65 1.72 5.19 -0.86 -1.22 116.42 121.80 1n23 h ASP 263 Ca 0.12 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 1n23 h ASP 263 Cb 0.40 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 1n23 h ASP 263 CO 0.01 0.46 0.19 0.00 -3.12 0.00 0.00 179.24 176.78 1n23 h ALA 264 N 1.29 1.07 -0.53 3.45 0.00 -1.09 -2.81 119.26 120.64 1n23 h ALA 264 Ca 0.27 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1n23 h ALA 264 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1n23 h ALA 264 CO -0.11 0.63 -0.10 -0.92 0.00 0.00 0.00 179.25 178.75 1n23 h TYR 265 N 1.00 1.10 0.00 0.00 3.20 -0.69 -2.36 116.97 119.23 1n23 h TYR 265 Ca 0.22 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1n23 h TYR 265 Cb 0.31 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.30 1n23 h TYR 265 CO 0.02 1.02 0.00 0.00 -1.64 0.00 0.00 178.16 177.57 1n23 n ALA 266 N -2.50 2.01 0.93 1.82 0.00 -0.52 -1.54 120.51 120.72 1n23 n ALA 266 Ca 0.02 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.46 1n23 n ALA 266 Cb 0.39 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.51 1n23 n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n23 n ARG 267 N -1.09 0.72 -2.81 0.00 1.74 -0.89 -4.95 116.66 109.38 1n23 n ARG 267 Ca 0.10 -0.29 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 1n23 n ARG 267 Cb 0.07 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1n23 n ARG 267 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n23 s ARG 268 N -2.71 4.48 0.47 5.56 0.52 -0.59 -4.94 118.95 121.74 1n23 s ARG 268 Ca 0.10 1.24 0.14 0.00 -0.52 0.00 0.00 55.73 56.69 1n23 s ARG 268 Cb 0.16 -3.48 1.11 0.00 0.52 0.00 0.00 34.95 33.25 1n23 s ARG 268 CO 0.73 -0.09 2.06 -1.35 0.02 0.00 0.00 175.30 176.67 1n23 h PRO 269 N 6.89 0.25 -0.59 3.54 0.11 -1.92 -0.44 132.00 139.84 1n23 h PRO 269 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1n23 h PRO 269 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1n23 h PRO 269 CO 0.78 0.17 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 1n23 n ASP 270 N -4.48 3.38 -4.64 -2.05 5.75 -1.26 -4.97 116.55 108.28 1n23 n ASP 270 Ca 0.04 -2.26 -0.49 0.00 -0.01 0.00 0.00 54.79 52.07 1n23 n ASP 270 Cb 0.22 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 39.80 1n23 n ASP 270 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1n23 n MET 271 N 0.78 1.71 -2.94 0.11 1.56 -0.18 -4.95 117.12 113.22 1n23 n MET 271 Ca 0.18 0.62 -0.40 0.00 -0.27 0.00 0.00 57.70 57.83 1n23 n MET 271 Cb 0.63 -2.33 -0.04 0.00 2.15 0.00 0.00 33.22 33.62 1n23 n MET 271 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1n23 s ASN 272 N 0.80 7.10 0.19 6.12 3.84 -1.26 -4.97 114.94 126.75 1n23 s ASN 272 Ca 0.82 1.32 -0.09 0.00 0.21 0.00 0.00 52.86 55.12 1n23 s ASN 272 Cb -0.80 -2.46 0.09 0.00 -0.55 0.00 0.00 41.25 37.53 1n23 s ASN 272 CO 0.42 -0.16 1.68 1.55 -2.79 0.00 0.00 177.10 177.80 1n23 h PRO 273 N 6.78 1.07 -0.30 0.43 0.13 -1.99 -2.35 132.00 135.77 1n23 h PRO 273 Ca -0.41 -0.28 -0.13 0.00 -0.87 0.00 0.00 66.00 64.31 1n23 h PRO 273 Cb 1.20 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1n23 h PRO 273 CO 0.75 0.98 -0.34 -0.07 -0.23 0.00 0.00 178.00 179.10 1n23 h LEU 274 N 0.99 0.81 -0.84 1.56 3.38 -1.99 -0.86 115.31 118.36 1n23 h LEU 274 Ca 0.20 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1n23 h LEU 274 Cb 0.42 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1n23 h LEU 274 CO 0.01 1.13 0.40 0.40 0.09 0.00 0.00 178.44 180.48 1n23 h ILE 275 N 0.51 1.26 -0.33 1.22 2.04 -1.94 -1.30 117.51 118.98 1n23 h ILE 275 Ca 0.04 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1n23 h ILE 275 Cb 0.92 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1n23 h ILE 275 CO 0.08 0.31 0.02 0.15 0.00 0.00 0.00 178.15 178.71 1n23 h PHE 276 N 1.19 0.61 -0.84 1.37 3.57 -1.30 -1.37 116.94 120.17 1n23 h PHE 276 Ca 0.29 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1n23 h PHE 276 Cb 0.12 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1n23 h PHE 276 CO 0.01 0.67 0.41 1.49 -2.23 0.00 0.00 178.31 178.67 1n23 h GLU 277 N 0.38 1.19 -0.46 1.11 4.81 -0.92 -2.60 114.58 118.09 1n23 h GLU 277 Ca 0.09 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.02 1n23 h GLU 277 Cb 0.41 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1n23 h GLU 277 CO 0.01 0.91 -0.24 1.25 -0.73 0.00 0.00 179.01 180.21 1n23 h LEU 278 N 1.19 1.01 -0.64 1.64 5.85 -1.07 -1.44 115.31 121.84 1n23 h LEU 278 Ca 0.29 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1n23 h LEU 278 Cb 0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1n23 h LEU 278 CO -0.04 1.20 0.37 0.00 -0.34 0.00 0.00 178.44 179.63 1n23 h ALA 279 N 0.85 0.82 -0.36 1.25 0.00 -1.03 0.20 119.26 120.98 1n23 h ALA 279 Ca 0.10 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1n23 h ALA 279 Cb 0.83 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1n23 h ALA 279 CO 0.07 0.32 -0.20 0.87 0.00 0.00 0.00 179.25 180.31 1n23 h LYS 280 N 0.88 0.77 -0.23 0.00 1.57 -1.42 -0.55 116.57 117.59 1n23 h LYS 280 Ca 0.23 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1n23 h LYS 280 Cb 0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1n23 h LYS 280 CO -0.04 0.97 0.06 1.25 -0.57 0.00 0.00 179.45 181.12 1n23 h LEU 281 N 0.56 0.34 -0.93 2.94 5.85 -0.97 -0.72 115.31 122.39 1n23 h LEU 281 Ca 0.08 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1n23 h LEU 281 Cb 0.75 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1n23 h LEU 281 CO 0.06 0.47 0.51 -1.13 -0.34 0.00 0.00 178.44 178.01 1n23 h ASN 282 N 0.20 1.13 -0.30 1.25 -1.24 -0.60 -0.48 115.58 115.55 1n23 h ASN 282 Ca 0.07 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.00 1n23 h ASN 282 Cb 0.25 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.00 1n23 h ASN 282 CO -0.00 0.90 0.19 0.15 -1.29 0.00 0.00 177.43 177.37 1n23 h PHE 283 N 1.28 0.35 -0.35 0.67 3.57 -0.72 -1.11 116.94 120.63 1n23 h PHE 283 Ca 0.32 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.72 1n23 h PHE 283 Cb 0.01 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1n23 h PHE 283 CO 0.01 0.22 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.15 1n23 h ASN 284 N 0.38 0.72 -0.06 0.41 2.35 -0.69 -1.40 115.58 117.29 1n23 h ASN 284 Ca 0.11 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1n23 h ASN 284 Cb -0.03 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 1n23 h ASN 284 CO -0.04 0.94 -0.01 0.40 -1.65 0.00 0.00 177.43 177.07 1n23 h ILE 285 N 0.61 1.29 0.00 2.81 2.04 -0.92 -2.01 117.51 121.34 1n23 h ILE 285 Ca 0.08 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1n23 h ILE 285 Cb 0.74 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 1n23 h ILE 285 CO 0.06 0.25 -0.20 0.40 0.00 0.00 0.00 178.15 178.66 1n23 h ILE 286 N -0.22 1.06 -0.56 -0.67 2.04 -1.19 -1.46 117.51 116.51 1n23 h ILE 286 Ca 0.02 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.10 1n23 h ILE 286 Cb 0.41 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1n23 h ILE 286 CO 0.01 0.20 0.06 -0.61 0.00 0.00 0.00 178.15 177.80 1n23 h GLN 287 N 0.00 0.94 -0.65 2.37 4.15 -1.04 -0.15 115.11 120.73 1n23 h GLN 287 Ca -0.00 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 1n23 h GLN 287 Cb 0.37 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1n23 h GLN 287 CO 0.03 0.92 0.40 0.00 -1.93 0.00 0.00 178.83 178.24 1n23 h ALA 288 N 0.98 0.83 -0.45 3.38 0.00 -0.53 -0.67 119.26 122.81 1n23 h ALA 288 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n23 h ALA 288 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1n23 h ALA 288 CO 0.02 0.30 0.27 1.15 0.00 0.00 0.00 179.25 180.99 1n23 h THR 289 N 0.88 1.14 -0.82 0.00 2.02 -1.05 -2.21 112.91 112.88 1n23 h THR 289 Ca 0.23 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1n23 h THR 289 Cb -0.03 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 1n23 h THR 289 CO -0.04 0.14 0.53 0.45 0.37 0.00 0.00 175.52 176.97 1n23 h HIS 290 N 0.60 1.00 -0.90 3.16 -0.00 -0.51 -1.31 115.15 117.18 1n23 h HIS 290 Ca 0.16 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1n23 h HIS 290 Cb -0.01 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.02 1n23 h HIS 290 CO -0.03 0.59 0.53 1.96 -0.00 0.00 0.00 177.93 180.98 1n23 h GLN 291 N 1.05 1.24 -0.60 2.45 4.20 -0.76 0.21 115.11 122.90 1n23 h GLN 291 Ca 0.32 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1n23 h GLN 291 Cb -0.04 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 1n23 h GLN 291 CO -0.10 0.88 0.04 0.37 -0.67 0.00 0.00 178.83 179.35 1n23 h GLN 292 N 1.25 1.04 -0.59 1.46 5.75 -0.82 0.25 115.11 123.45 1n23 h GLN 292 Ca 0.32 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1n23 h GLN 292 Cb -0.03 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 1n23 h GLN 292 CO -0.06 1.00 0.30 0.93 -2.65 0.00 0.00 178.83 178.35 1n23 h GLU 293 N 0.94 0.84 -0.24 1.69 5.08 -0.51 -2.02 114.58 120.35 1n23 h GLU 293 Ca 0.18 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1n23 h GLU 293 Cb 0.51 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1n23 h GLU 293 CO 0.02 0.67 -0.23 1.25 -1.00 0.00 0.00 179.01 179.72 1n23 h LEU 294 N 0.80 0.45 -0.55 1.33 5.85 -0.23 -2.43 115.31 120.53 1n23 h LEU 294 Ca 0.20 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1n23 h LEU 294 Cb 0.09 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1n23 h LEU 294 CO -0.03 0.69 0.11 0.11 -0.34 0.00 0.00 178.44 178.98 1n23 h LYS 295 N 0.40 0.89 -0.54 1.25 1.57 -0.50 -0.89 116.57 118.77 1n23 h LYS 295 Ca 0.06 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1n23 h LYS 295 Cb 0.63 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1n23 h LYS 295 CO 0.05 0.85 0.08 -0.44 -0.57 0.00 0.00 179.45 179.42 1n23 h ASP 296 N 0.78 0.81 -0.37 0.86 3.32 -1.15 -1.95 116.42 118.72 1n23 h ASP 296 Ca 0.17 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1n23 h ASP 296 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1n23 h ASP 296 CO 0.01 0.83 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.24 1n23 h LEU 297 N 0.81 0.68 -1.25 1.55 3.38 -1.20 -2.98 115.31 116.30 1n23 h LEU 297 Ca 0.17 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1n23 h LEU 297 Cb 0.38 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1n23 h LEU 297 CO 0.01 0.85 0.04 -1.28 0.09 0.00 0.00 178.44 178.15 1n23 h SER 298 N 0.49 0.51 -0.57 -0.43 0.87 -0.93 0.22 113.55 113.71 1n23 h SER 298 Ca 0.10 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1n23 h SER 298 Cb 0.53 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1n23 h SER 298 CO 0.03 0.55 0.32 -0.09 -0.53 0.00 0.00 176.83 177.11 1n23 h ARG 299 N 0.53 0.78 -0.16 2.24 2.43 -1.26 0.16 114.38 119.10 1n23 h ARG 299 Ca 0.12 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1n23 h ARG 299 Cb 0.29 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1n23 h ARG 299 CO 0.00 0.59 -0.07 2.35 -1.51 0.00 0.00 179.97 181.34 1n23 h TRP 300 N 0.76 0.38 -0.83 2.20 7.01 -1.24 -2.71 115.95 121.52 1n23 h TRP 300 Ca 0.20 -0.09 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1n23 h TRP 300 Cb 0.03 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 1n23 h TRP 300 CO -0.02 0.64 0.55 2.35 -2.79 0.00 0.00 178.44 179.17 1n23 h TRP 301 N 0.00 1.01 -0.33 2.65 2.91 -0.32 -1.62 115.95 120.26 1n23 h TRP 301 Ca 0.04 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.97 1n23 h TRP 301 Cb 0.54 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 1n23 h TRP 301 CO 0.06 0.60 -0.24 0.77 -1.03 0.00 0.00 178.44 178.60 1n23 h SER 302 N 1.06 0.65 -0.35 2.65 0.02 -0.66 -2.98 113.55 113.94 1n23 h SER 302 Ca 0.32 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 1n23 h SER 302 Cb -0.02 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1n23 h SER 302 CO -0.09 0.88 -0.04 -0.09 -1.14 0.00 0.00 176.83 176.35 1n23 h ARG 303 N 0.56 0.75 -0.08 3.45 2.43 -0.97 -3.03 114.38 117.48 1n23 h ARG 303 Ca 0.08 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.92 1n23 h ARG 303 Cb 0.71 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1n23 h ARG 303 CO 0.05 0.78 -0.47 1.25 -1.51 0.00 0.00 179.97 180.08 1n23 h LEU 304 N 0.69 0.21 2.64 3.80 5.85 -1.29 -3.47 115.31 123.73 1n23 h LEU 304 Ca 0.13 -0.09 -0.37 0.00 0.84 0.00 0.00 57.88 58.39 1n23 h LEU 304 Cb 0.48 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1n23 h LEU 304 CO 0.02 0.65 -0.46 0.00 -0.34 0.00 0.00 178.44 178.31 1n23 h PHE 306 N 0.00 0.40 -0.74 0.00 0.04 -1.91 -0.47 116.94 114.25 1n23 h PHE 306 Ca -0.43 0.01 0.16 0.00 2.80 0.00 0.00 57.97 60.51 1n23 h PHE 306 Cb 1.31 -0.13 -0.11 0.00 2.20 0.00 0.00 35.95 39.23 1n23 h PHE 306 CO 0.59 0.23 0.22 -1.35 -0.60 0.00 0.00 178.31 177.40 1n23 h PRO 307 N 0.43 0.31 0.51 1.51 0.11 -1.91 1.11 132.00 134.08 1n23 h PRO 307 Ca 0.14 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 1n23 h PRO 307 Cb 0.01 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.05 1n23 h PRO 307 CO -0.07 0.20 -0.25 1.49 -0.21 0.00 0.00 178.00 179.17 1n23 h GLU 308 N 0.32 -0.67 0.00 1.05 4.81 -1.88 -3.03 114.58 115.18 1n23 h GLU 308 Ca 0.42 0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.63 1n23 h GLU 308 Cb 0.70 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1n23 h GLU 308 CO -0.48 -0.44 -0.29 0.87 -0.73 0.00 0.00 179.01 177.94 1n23 h LYS 309 N -0.99 0.00 -2.32 1.92 1.79 -0.79 -3.30 116.57 112.87 1n23 h LYS 309 Ca -0.07 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.81 1n23 h LYS 309 Cb 0.53 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.77 1n23 h LYS 309 CO 0.12 0.29 -0.73 1.28 -1.08 0.00 0.00 179.45 179.32 1n23 n LEU 310 N -4.06 2.49 0.05 2.94 4.32 0.38 -4.95 117.00 118.18 1n23 n LEU 310 Ca -0.02 -5.15 0.05 0.00 -0.02 0.00 0.00 56.01 50.87 1n23 n LEU 310 Cb 0.35 -0.29 0.26 0.00 -1.62 0.00 0.00 43.42 42.11 1n23 n LEU 310 CO 0.37 1.99 0.67 -0.81 -1.22 0.00 0.00 177.39 178.39 1n23 n PRO 311 N 1.33 0.06 0.00 3.23 -0.04 -1.14 -2.67 135.00 135.76 1n23 n PRO 311 Ca 0.26 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.33 1n23 n PRO 311 Cb 0.43 -1.65 0.48 0.00 -0.04 0.00 0.00 33.50 32.72 1n23 n PRO 311 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1n23 n PHE 312 N -1.76 0.00 -3.98 0.54 1.16 -1.26 -4.92 117.46 107.23 1n23 n PHE 312 Ca 0.01 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.37 1n23 n PHE 312 Cb 0.07 -0.10 -0.03 0.00 -1.61 0.00 0.00 39.48 37.81 1n23 n PHE 312 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1n23 s VAL 313 N -2.36 4.80 0.26 1.97 -7.23 -1.09 -4.71 120.40 112.03 1n23 s VAL 313 Ca 0.29 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.00 1n23 s VAL 313 Cb 0.20 -3.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.42 1n23 s VAL 313 CO 0.46 -0.32 1.33 -0.13 -0.31 0.00 0.00 175.10 176.13 1n23 s ARG 314 N -3.94 4.36 -0.46 4.82 0.52 -1.26 -4.98 118.95 118.01 1n23 s ARG 314 Ca 0.35 2.16 -0.04 0.00 -0.52 0.00 0.00 55.73 57.67 1n23 s ARG 314 Cb -0.08 -3.13 0.12 0.00 0.52 0.00 0.00 34.95 32.37 1n23 s ARG 314 CO 0.27 -0.25 0.27 0.34 0.02 0.00 0.00 175.30 175.95 1n23 s ASP 315 N 0.03 5.35 -0.37 0.23 -1.08 -1.26 -4.65 116.67 114.93 1n23 s ASP 315 Ca 0.54 -2.14 0.14 0.00 -0.52 0.00 0.00 52.55 50.57 1n23 s ASP 315 Cb -0.39 -1.87 0.43 0.00 -1.46 0.00 0.00 42.92 39.63 1n23 s ASP 315 CO 0.44 -0.55 0.96 0.54 0.52 0.00 0.00 175.17 177.08 1n23 n ARG 316 N 4.49 1.74 -0.10 4.34 5.12 -1.26 -3.96 116.66 127.03 1n23 n ARG 316 Ca -0.02 -3.63 -0.09 0.00 -1.93 0.00 0.00 57.85 52.18 1n23 n ARG 316 Cb 0.41 -1.58 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 1n23 n ARG 316 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1n23 h LEU 317 N 2.90 0.39 -0.55 0.55 5.85 -1.94 0.59 115.31 123.11 1n23 h LEU 317 Ca 0.03 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1n23 h LEU 317 Cb 1.06 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1n23 h LEU 317 CO 0.60 0.34 0.12 0.58 -0.34 0.00 0.00 178.44 179.73 1n23 h VAL 318 N 0.41 1.25 -0.58 1.05 2.07 -1.92 0.36 116.25 118.89 1n23 h VAL 318 Ca 0.12 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1n23 h VAL 318 Cb 0.02 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1n23 h VAL 318 CO -0.02 0.33 0.08 -0.33 0.02 0.00 0.00 177.57 177.65 1n23 h GLU 319 N 0.78 0.98 -0.89 1.57 3.07 -1.90 0.40 114.58 118.58 1n23 h GLU 319 Ca 0.17 -0.27 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 1n23 h GLU 319 Cb 0.36 -0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 1n23 h GLU 319 CO 0.00 0.93 0.47 0.77 -1.40 0.00 0.00 179.01 179.79 1n23 h SER 320 N 0.87 1.13 0.04 1.42 0.02 -0.61 -0.79 113.55 115.64 1n23 h SER 320 Ca 0.18 -0.11 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1n23 h SER 320 Cb 0.44 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1n23 h SER 320 CO 0.01 0.92 -0.43 0.15 -1.14 0.00 0.00 176.83 176.35 1n23 h PHE 321 N 1.25 0.57 -0.59 3.45 3.57 -0.50 -1.37 116.94 123.32 1n23 h PHE 321 Ca 0.31 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1n23 h PHE 321 Cb 0.06 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1n23 h PHE 321 CO 0.01 0.83 0.37 0.35 -2.23 0.00 0.00 178.31 177.64 1n23 h PHE 322 N 0.39 0.77 -0.55 0.41 3.57 -0.38 0.17 116.94 121.31 1n23 h PHE 322 Ca 0.03 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1n23 h PHE 322 Cb 0.91 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 1n23 h PHE 322 CO 0.03 0.51 0.32 2.35 -2.23 0.00 0.00 178.31 179.29 1n23 h TRP 323 N 0.80 0.60 -0.50 0.41 2.91 -0.65 -1.50 115.95 118.03 1n23 h TRP 323 Ca 0.21 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.19 1n23 h TRP 323 Cb -0.05 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.38 1n23 h TRP 323 CO -0.03 0.33 0.04 0.00 -1.03 0.00 0.00 178.44 177.75 1n23 h ALA 324 N 1.25 1.12 -0.84 2.65 0.00 -0.47 -0.60 119.26 122.37 1n23 h ALA 324 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1n23 h ALA 324 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1n23 h ALA 324 CO -0.11 0.57 0.46 0.28 0.00 0.00 0.00 179.25 180.45 1n23 h VAL 325 N 0.77 1.25 -0.19 0.00 2.07 0.02 -0.86 116.25 119.31 1n23 h VAL 325 Ca 0.15 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 1n23 h VAL 325 Cb 0.41 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1n23 h VAL 325 CO 0.01 0.28 -0.40 1.23 0.02 0.00 0.00 177.57 178.71 1n23 h GLY 326 N 1.17 0.47 0.66 2.17 0.00 -0.71 -3.29 103.07 103.53 1n23 h GLY 326 Ca 0.30 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1n23 h GLY 326 CO -0.05 0.41 -0.12 1.98 0.00 0.00 0.00 176.54 178.77 1n23 h MET 327 N 0.36 -0.31 -4.33 4.80 4.05 -0.50 -3.40 114.93 115.60 1n23 h MET 327 Ca 0.03 0.02 -0.70 0.00 -0.28 0.00 0.00 59.70 58.77 1n23 h MET 327 Cb 0.86 0.07 -0.33 0.00 -0.80 0.00 0.00 31.60 31.40 1n23 h MET 327 CO 0.07 0.02 -0.48 -0.06 0.23 0.00 0.00 176.91 176.69 1n23 s PHE 328 N -4.68 3.53 -0.07 1.39 0.40 -0.38 -4.00 117.98 114.17 1n23 s PHE 328 Ca -0.14 -2.30 -0.27 0.00 -0.60 0.00 0.00 56.93 53.61 1n23 s PHE 328 Cb 0.02 -3.30 -0.23 0.00 0.51 0.00 0.00 43.02 40.02 1n23 s PHE 328 CO 0.57 -0.97 1.06 0.93 0.70 0.00 0.00 175.22 177.51 1n23 h GLU 329 N 8.05 0.02 -6.25 0.44 5.08 -1.78 -3.44 114.58 116.69 1n23 h GLU 329 Ca -0.14 -0.02 -0.66 0.00 -1.00 0.00 0.00 59.36 57.55 1n23 h GLU 329 Cb 1.04 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.38 1n23 h GLU 329 CO 0.74 0.72 0.08 -2.30 -1.00 0.00 0.00 179.01 177.26 1n23 n PRO 330 N -4.73 0.85 -0.35 2.33 -0.02 -1.26 -4.85 135.00 126.97 1n23 n PRO 330 Ca -0.09 0.30 0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1n23 n PRO 330 Cb 0.36 -1.69 0.18 0.00 -0.02 0.00 0.00 33.50 32.32 1n23 n PRO 330 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1n23 h HIS 331 N 2.71 1.12 0.00 6.00 2.76 -2.01 -2.39 115.15 123.34 1n23 h HIS 331 Ca -0.41 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1n23 h HIS 331 Cb 1.37 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1n23 h HIS 331 CO 0.51 0.55 0.00 0.00 -1.30 0.00 0.00 177.93 177.69 1n23 n GLN 332 N -4.56 0.54 -1.58 5.26 0.00 -1.26 -3.89 117.38 111.89 1n23 n GLN 332 Ca 0.15 0.03 -0.35 0.00 0.00 0.00 0.00 57.00 56.84 1n23 n GLN 332 Cb 0.21 -1.50 0.04 0.00 0.00 0.00 0.00 30.24 28.99 1n23 n GLN 332 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1n23 n HIS 333 N -1.10 2.76 -0.08 2.61 8.25 -0.90 -4.62 115.22 122.14 1n23 n HIS 333 Ca 0.14 -2.48 -0.06 0.00 -0.26 0.00 0.00 57.72 55.05 1n23 n HIS 333 Cb 0.11 -1.29 0.13 0.00 1.12 0.00 0.00 29.99 30.06 1n23 n HIS 333 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1n23 h GLY 334 N 2.74 0.80 0.94 -1.41 0.00 -1.82 -2.19 103.07 102.13 1n23 h GLY 334 Ca 0.54 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1n23 h GLY 334 CO 1.36 0.57 0.07 -1.82 0.00 0.00 0.00 176.54 176.72 1n23 h TYR 335 N 0.66 0.17 -0.84 5.60 3.20 -1.95 -1.45 116.97 122.35 1n23 h TYR 335 Ca 0.10 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1n23 h TYR 335 Cb 0.64 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1n23 h TYR 335 CO 0.03 0.18 0.55 1.96 -1.64 0.00 0.00 178.16 179.25 1n23 h GLN 336 N 0.10 1.00 -0.41 1.82 7.50 -1.90 -0.36 115.11 122.87 1n23 h GLN 336 Ca 0.04 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.10 1n23 h GLN 336 Cb 0.07 -0.23 -0.02 0.00 0.05 0.00 0.00 27.48 27.36 1n23 h GLN 336 CO -0.01 0.66 0.11 0.00 -1.50 0.00 0.00 178.83 178.10 1n23 h ARG 337 N 1.03 0.64 -0.37 1.46 3.08 -1.00 -1.10 114.38 118.12 1n23 h ARG 337 Ca 0.34 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1n23 h ARG 337 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1n23 h ARG 337 CO -0.10 0.65 -0.14 0.87 -1.07 0.00 0.00 179.97 180.19 1n23 h LYS 338 N 0.52 0.67 -0.18 0.04 1.57 -0.52 -1.12 116.57 117.55 1n23 h LYS 338 Ca 0.13 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1n23 h LYS 338 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1n23 h LYS 338 CO -0.00 0.78 -0.04 1.98 -0.57 0.00 0.00 179.45 181.59 1n23 h MET 339 N 0.60 0.35 -0.49 3.15 4.05 -0.94 -1.42 114.93 120.23 1n23 h MET 339 Ca 0.10 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1n23 h MET 339 Cb 0.58 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1n23 h MET 339 CO 0.04 0.61 0.26 0.00 0.23 0.00 0.00 176.91 178.05 1n23 h ALA 340 N 0.72 0.64 -0.68 0.39 0.00 -1.06 -1.44 119.26 117.83 1n23 h ALA 340 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n23 h ALA 340 Cb 0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1n23 h ALA 340 CO 0.02 0.17 0.44 0.00 0.00 0.00 0.00 179.25 179.88 1n23 h ALA 341 N 1.10 0.87 -0.15 0.00 0.00 -1.18 -0.05 119.26 119.85 1n23 h ALA 341 Ca 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1n23 h ALA 341 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1n23 h ALA 341 CO -0.03 0.31 0.08 1.15 0.00 0.00 0.00 179.25 180.76 1n23 h THR 342 N 0.93 1.11 -0.56 0.00 2.02 -0.93 0.16 112.91 115.64 1n23 h THR 342 Ca 0.25 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 1n23 h THR 342 Cb -0.07 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1n23 h THR 342 CO -0.05 0.10 0.06 0.40 0.37 0.00 0.00 175.52 176.40 1n23 h ILE 343 N 0.12 1.25 -0.36 3.11 2.04 -1.07 -1.17 117.51 121.43 1n23 h ILE 343 Ca 0.05 -0.99 -0.10 0.00 1.00 0.00 0.00 64.86 64.83 1n23 h ILE 343 Cb 0.10 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1n23 h ILE 343 CO -0.01 0.36 -0.16 0.40 0.00 0.00 0.00 178.15 178.74 1n23 h ILE 344 N 0.85 1.28 -0.10 -0.67 2.04 -0.77 0.14 117.51 120.29 1n23 h ILE 344 Ca 0.17 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.65 1n23 h ILE 344 Cb 0.42 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1n23 h ILE 344 CO 0.01 0.42 -0.42 1.62 0.00 0.00 0.00 178.15 179.78 1n23 h VAL 345 N 0.53 1.31 -0.03 1.67 3.04 -0.52 -1.45 116.25 120.80 1n23 h VAL 345 Ca 0.08 -1.54 -0.16 0.00 -1.01 0.00 0.00 66.70 64.07 1n23 h VAL 345 Cb 0.70 1.71 0.01 0.00 -2.01 0.00 0.00 31.29 31.69 1n23 h VAL 345 CO 0.05 0.46 -0.60 -0.07 -1.01 0.00 0.00 177.57 176.40 1n23 h LEU 346 N 0.19 0.58 -1.65 3.16 3.38 -1.10 -3.12 115.31 116.76 1n23 h LEU 346 Ca 0.02 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.26 1n23 h LEU 346 Cb 0.83 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1n23 h LEU 346 CO 0.06 1.22 0.17 0.00 0.09 0.00 0.00 178.44 179.99 1n23 h ALA 347 N 0.37 1.74 -0.71 1.53 0.00 -0.62 -0.20 119.26 121.37 1n23 h ALA 347 Ca -0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1n23 h ALA 347 Cb 1.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1n23 h ALA 347 CO 0.12 0.23 0.43 1.15 0.00 0.00 0.00 179.25 181.18 1n23 h THR 348 N 0.41 1.20 0.01 0.00 2.02 -1.24 0.15 112.91 115.47 1n23 h THR 348 Ca 0.11 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1n23 h THR 348 Cb -0.00 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1n23 h THR 348 CO -0.02 0.21 -0.01 0.58 0.37 0.00 0.00 175.52 176.66 1n23 h VAL 349 N 0.97 1.38 -0.79 3.16 2.07 -1.16 -2.67 116.25 119.21 1n23 h VAL 349 Ca 0.26 -1.19 0.08 0.00 0.82 0.00 0.00 66.70 66.66 1n23 h VAL 349 Cb -0.03 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1n23 h VAL 349 CO -0.05 0.31 0.52 0.40 0.02 0.00 0.00 177.57 178.77 1n23 h ILE 350 N -0.53 0.99 0.08 4.57 2.04 -0.94 -2.24 117.51 121.49 1n23 h ILE 350 Ca -0.00 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1n23 h ILE 350 Cb 0.51 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1n23 h ILE 350 CO 0.00 0.15 -0.04 -0.78 0.00 0.00 0.00 178.15 177.48 1n23 h ASP 351 N 0.80 -0.09 0.22 1.72 3.58 -0.64 -2.51 116.42 119.49 1n23 h ASP 351 Ca 0.35 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1n23 h ASP 351 Cb 0.34 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 1n23 h ASP 351 CO -0.13 0.00 -0.05 0.44 -2.88 0.00 0.00 179.24 176.62 1n23 h ASP 352 N -0.18 0.00 0.51 2.28 3.32 -1.06 -0.76 116.42 120.53 1n23 h ASP 352 Ca -0.01 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 1n23 h ASP 352 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1n23 h ASP 352 CO 0.02 0.05 -0.81 0.40 -1.72 0.00 0.00 179.24 177.18 1n23 h ILE 353 N 0.00 1.46 0.14 0.35 2.04 -1.05 -1.17 117.51 119.28 1n23 h ILE 353 Ca -0.00 -2.45 -0.25 0.00 1.00 0.00 0.00 64.86 63.15 1n23 h ILE 353 Cb 0.18 2.35 0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1n23 h ILE 353 CO 0.01 0.72 -1.23 1.88 0.00 0.00 0.00 178.15 179.53 1n23 h TYR 354 N 0.13 0.52 -0.66 1.37 -1.99 -0.85 0.12 116.97 115.61 1n23 h TYR 354 Ca -0.04 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1n23 h TYR 354 Cb 1.41 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.12 1n23 h TYR 354 CO 0.03 1.48 0.00 -0.40 -0.00 0.00 0.00 178.16 179.27 1n23 n ASP 355 N -3.97 3.81 0.00 3.88 5.68 -0.40 -4.71 116.55 120.84 1n23 n ASP 355 Ca -0.21 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.09 1n23 n ASP 355 Cb 0.89 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1n23 n ASP 355 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1n23 n VAL 356 N 1.52 0.00 -0.13 2.12 0.31 -0.77 -4.68 118.33 116.70 1n23 n VAL 356 Ca 0.23 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.35 1n23 n VAL 356 Cb 0.60 -0.47 -0.11 0.00 -0.91 0.00 0.00 33.84 32.95 1n23 n VAL 356 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n23 n TYR 357 N -2.42 0.00 -1.78 3.52 9.36 -0.51 -3.79 117.16 121.53 1n23 n TYR 357 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 1n23 n TYR 357 Cb 0.01 -0.96 0.04 0.00 -0.63 0.00 0.00 39.34 37.79 1n23 n TYR 357 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1n23 s GLY 358 N -6.11 1.95 0.28 2.98 0.00 0.41 -4.74 107.32 102.08 1n23 s GLY 358 Ca -0.35 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.63 1n23 s GLY 358 CO 0.54 0.63 0.55 -0.51 0.00 0.00 0.00 173.10 174.31 1n23 s THR 359 N -2.66 5.03 0.34 0.90 -4.23 -1.26 -4.91 115.64 108.85 1n23 s THR 359 Ca 0.62 0.05 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1n23 s THR 359 Cb -0.16 -3.73 0.32 0.00 1.34 0.00 0.00 72.50 70.27 1n23 s THR 359 CO 0.45 -0.31 1.83 0.25 -0.54 0.00 0.00 174.62 176.30 1n23 h LEU 360 N 1.72 0.70 -0.37 4.79 5.85 -1.96 0.10 115.31 126.13 1n23 h LEU 360 Ca -0.48 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1n23 h LEU 360 Cb 1.19 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1n23 h LEU 360 CO 0.66 0.31 0.15 0.44 -0.34 0.00 0.00 178.44 179.66 1n23 h ASP 361 N 0.72 0.52 -0.49 1.25 3.32 -2.00 -0.86 116.42 118.88 1n23 h ASP 361 Ca 0.51 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 1n23 h ASP 361 Cb 0.84 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1n23 h ASP 361 CO -0.27 0.54 -0.00 -0.33 -1.72 0.00 0.00 179.24 177.46 1n23 h GLU 362 N 0.46 0.87 -0.24 3.56 5.08 -1.66 -2.60 114.58 120.05 1n23 h GLU 362 Ca 0.12 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1n23 h GLU 362 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1n23 h GLU 362 CO -0.01 0.91 0.11 -0.07 -1.00 0.00 0.00 179.01 178.95 1n23 h LEU 363 N 0.73 0.29 -0.10 1.33 3.38 -0.83 0.14 115.31 120.25 1n23 h LEU 363 Ca 0.14 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1n23 h LEU 363 Cb 0.52 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1n23 h LEU 363 CO 0.03 0.26 -0.00 -0.08 0.09 0.00 0.00 178.44 178.74 1n23 h GLU 364 N 0.33 0.18 -0.71 1.13 4.81 -0.81 0.25 114.58 119.76 1n23 h GLU 364 Ca 0.09 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1n23 h GLU 364 Cb 0.05 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1n23 h GLU 364 CO -0.01 0.44 0.23 -0.07 -0.73 0.00 0.00 179.01 178.86 1n23 h LEU 365 N -0.09 1.02 0.23 1.64 3.38 -1.03 -1.90 115.31 118.56 1n23 h LEU 365 Ca 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1n23 h LEU 365 Cb 0.36 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1n23 h LEU 365 CO 0.01 0.95 -0.14 0.15 0.09 0.00 0.00 178.44 179.50 1n23 h PHE 366 N 1.05 -0.35 -0.52 1.13 3.57 -0.57 -0.93 116.94 120.31 1n23 h PHE 366 Ca 0.23 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1n23 h PHE 366 Cb 0.29 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1n23 h PHE 366 CO 0.02 -0.22 0.26 1.15 -2.23 0.00 0.00 178.31 177.30 1n23 h THR 367 N -0.35 0.94 -0.80 4.41 2.02 -0.81 -2.13 112.91 116.19 1n23 h THR 367 Ca -0.02 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1n23 h THR 367 Cb 0.29 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1n23 h THR 367 CO 0.03 0.09 0.44 -0.78 0.37 0.00 0.00 175.52 175.67 1n23 h ASP 368 N 0.50 0.98 -0.61 4.18 1.82 -1.12 -1.84 116.42 120.35 1n23 h ASP 368 Ca 0.23 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1n23 h ASP 368 Cb 0.15 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.89 1n23 h ASP 368 CO -0.17 0.79 0.27 0.74 -1.61 0.00 0.00 179.24 179.26 1n23 h THR 369 N 1.11 1.22 -0.75 2.25 2.02 -0.55 -1.02 112.91 117.20 1n23 h THR 369 Ca 0.28 -0.64 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1n23 h THR 369 Cb 0.02 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1n23 h THR 369 CO -0.05 0.26 0.34 -0.26 0.37 0.00 0.00 175.52 176.18 1n23 h PHE 370 N 0.83 1.10 -0.44 3.16 -1.00 -0.93 0.11 116.94 119.77 1n23 h PHE 370 Ca 0.21 -0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.83 1n23 h PHE 370 Cb 0.15 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 1n23 h PHE 370 CO 0.00 0.82 -0.09 0.87 -1.61 0.00 0.00 178.31 178.30 1n23 h LYS 371 N 1.06 0.78 0.00 1.51 1.57 -0.94 -2.78 116.57 117.76 1n23 h LYS 371 Ca 0.25 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1n23 h LYS 371 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1n23 h LYS 371 CO -0.03 0.84 -0.70 0.00 -0.57 0.00 0.00 179.45 179.00 1n23 h ARG 372 N 0.71 0.00 -6.67 3.15 3.08 -0.98 -3.47 114.38 110.20 1n23 h ARG 372 Ca 0.12 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.64 1n23 h ARG 372 Cb 0.56 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.46 1n23 h ARG 372 CO 0.03 0.70 -0.86 1.87 -1.07 0.00 0.00 179.97 180.65 1n23 n TRP 373 N -3.45 -1.71 -2.83 3.04 -0.00 0.36 -4.93 117.44 107.93 1n23 n TRP 373 Ca 0.00 0.78 0.00 0.00 -0.00 0.00 0.00 57.50 58.28 1n23 n TRP 373 Cb 0.75 -3.24 0.00 0.00 -0.00 0.00 0.00 31.31 28.82 1n23 n TRP 373 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1n23 n ASP 374 N -2.78 0.33 0.00 5.87 5.75 -1.26 -5.07 116.55 119.40 1n23 n ASP 374 Ca -0.07 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 1n23 n ASP 374 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1n23 n ASP 374 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1n23 n THR 375 N -0.55 0.00 -0.09 2.12 -2.24 -1.26 -4.83 114.28 107.42 1n23 n THR 375 Ca 0.00 -0.34 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1n23 n THR 375 Cb 0.00 1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 69.46 1n23 n THR 375 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n23 n GLU 376 N -0.02 0.46 0.33 -0.78 1.02 -1.26 -4.52 120.64 115.86 1n23 n GLU 376 Ca 0.00 0.12 0.21 0.00 -0.02 0.00 0.00 57.16 57.47 1n23 n GLU 376 Cb 0.08 -1.35 1.12 0.00 -0.02 0.00 0.00 31.44 31.27 1n23 n GLU 376 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n23 h SER 377 N -0.12 0.00 -0.63 1.62 4.64 -1.98 -2.61 113.55 114.47 1n23 h SER 377 Ca -0.43 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.02 1n23 h SER 377 Cb 1.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.67 1n23 h SER 377 CO -0.11 0.00 0.43 -0.29 -0.87 0.00 0.00 176.83 175.99 1n23 h ILE 378 N 0.00 0.81 -0.99 0.95 2.10 -1.89 -2.31 117.51 116.19 1n23 h ILE 378 Ca -0.00 -0.10 0.13 0.00 1.08 0.00 0.00 64.86 65.97 1n23 h ILE 378 Cb 0.06 0.50 -0.09 0.00 -1.09 0.00 0.00 36.82 36.21 1n23 h ILE 378 CO 0.00 0.05 0.62 0.74 -1.08 0.00 0.00 178.15 178.48 1n23 h THR 379 N 0.29 0.88 0.00 2.19 2.02 -1.77 -1.77 112.91 114.75 1n23 h THR 379 Ca 0.30 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1n23 h THR 379 Cb 0.78 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1n23 h THR 379 CO -0.07 0.17 0.00 0.03 0.37 0.00 0.00 175.52 176.02 1n23 h ARG 380 N 0.94 0.00 -7.22 6.66 3.08 -1.65 -3.45 114.38 112.74 1n23 h ARG 380 Ca 0.50 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 60.07 1n23 h ARG 380 Cb 0.54 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.63 1n23 h ARG 380 CO -0.28 0.00 0.38 -0.51 -1.07 0.00 0.00 179.97 178.49 1n23 s LEU 381 N -5.94 3.53 0.60 3.04 1.43 -0.67 -5.03 118.68 115.64 1n23 s LEU 381 Ca 0.00 1.59 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 1n23 s LEU 381 Cb 0.10 -4.51 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 1n23 s LEU 381 CO 0.50 -0.76 1.10 -2.16 0.23 0.00 0.00 176.35 175.25 1n23 s PRO 382 N -4.27 3.12 0.18 1.29 0.04 -1.26 -4.74 135.00 129.35 1n23 s PRO 382 Ca 0.59 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.79 1n23 s PRO 382 Cb -0.11 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.50 1n23 s PRO 382 CO 0.36 -1.00 1.57 -0.92 0.04 0.00 0.00 177.00 177.05 1n23 h TYR 383 N 0.51 -1.24 -0.51 0.56 3.20 -1.95 0.13 116.97 117.66 1n23 h TYR 383 Ca -0.48 0.09 0.15 0.00 3.14 0.00 0.00 58.73 61.63 1n23 h TYR 383 Cb 1.24 0.64 -0.02 0.00 1.54 0.00 0.00 36.73 40.13 1n23 h TYR 383 CO 0.55 -0.41 0.41 0.10 -1.64 0.00 0.00 178.16 177.16 1n23 h TYR 384 N -0.19 0.00 0.06 -3.82 -0.00 -1.92 0.16 116.97 111.26 1n23 h TYR 384 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.68 1n23 h TYR 384 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.27 1n23 h TYR 384 CO -0.73 0.00 -1.20 0.52 -0.00 0.00 0.00 178.16 176.75 1n23 h MET 385 N 0.00 0.12 -0.52 0.10 2.86 -1.36 -2.31 114.93 113.82 1n23 h MET 385 Ca 0.24 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1n23 h MET 385 Cb 1.05 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1n23 h MET 385 CO -0.00 1.05 0.21 1.96 1.06 0.00 0.00 176.91 181.18 1n23 h GLN 386 N 0.03 0.77 0.39 1.72 4.20 -0.16 -0.29 115.11 121.77 1n23 h GLN 386 Ca -0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1n23 h GLN 386 Cb 1.88 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.54 1n23 h GLN 386 CO 0.15 0.68 -0.19 1.25 -0.67 0.00 0.00 178.83 180.06 1n23 h LEU 387 N 0.69 -0.45 -0.64 1.46 5.85 -1.26 -0.32 115.31 120.65 1n23 h LEU 387 Ca 0.17 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1n23 h LEU 387 Cb 0.20 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1n23 h LEU 387 CO -0.01 -0.27 0.42 0.00 -0.34 0.00 0.00 178.44 178.23 1n23 h TYR 389 N 0.85 -0.07 -0.48 0.00 3.20 -0.98 -1.81 116.97 117.68 1n23 h TYR 389 Ca 0.24 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1n23 h TYR 389 Cb -0.09 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1n23 h TYR 389 CO -0.03 0.15 0.12 2.35 -1.64 0.00 0.00 178.16 179.11 1n23 h TRP 390 N -0.29 0.74 -0.41 -3.82 -0.00 -0.95 0.59 115.95 111.80 1n23 h TRP 390 Ca -0.01 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.89 58.79 1n23 h TRP 390 Cb 0.26 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.18 1n23 h TRP 390 CO -0.00 0.63 0.11 0.78 -0.00 0.00 0.00 178.44 179.96 1n23 h GLY 391 N 0.90 0.70 0.98 2.65 0.00 -1.09 -0.53 103.07 106.69 1n23 h GLY 391 Ca 0.16 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1n23 h GLY 391 CO -0.00 0.40 -0.05 -2.08 0.00 0.00 0.00 176.54 174.81 1n23 h VAL 392 N 0.52 1.27 -0.60 4.60 2.07 -0.95 -2.01 116.25 121.15 1n23 h VAL 392 Ca 0.13 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1n23 h VAL 392 Cb 0.29 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1n23 h VAL 392 CO -0.00 0.38 0.34 -0.74 0.02 0.00 0.00 177.57 177.57 1n23 h HIS 393 N 0.62 0.62 -0.32 1.57 -0.00 -0.73 -1.27 115.15 115.65 1n23 h HIS 393 Ca 0.12 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.40 1n23 h HIS 393 Cb 0.56 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1n23 h HIS 393 CO 0.04 0.31 -0.26 -0.91 -0.00 0.00 0.00 177.93 177.12 1n23 h ASN 394 N 0.64 0.65 -0.31 3.26 2.35 -0.93 -1.91 115.58 119.33 1n23 h ASN 394 Ca 0.26 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1n23 h ASN 394 Cb 0.13 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1n23 h ASN 394 CO -0.15 0.89 0.00 0.22 -1.65 0.00 0.00 177.43 176.74 1n23 h TYR 395 N 0.56 0.60 -0.94 1.19 3.20 -0.85 -0.12 116.97 120.60 1n23 h TYR 395 Ca 0.08 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1n23 h TYR 395 Cb 0.74 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1n23 h TYR 395 CO 0.03 0.67 0.62 0.82 -1.64 0.00 0.00 178.16 178.67 1n23 h ILE 396 N 0.35 1.19 -0.54 1.81 1.08 -1.12 0.23 117.51 120.51 1n23 h ILE 396 Ca 0.09 -0.42 -0.10 0.00 -0.39 0.00 0.00 64.86 64.04 1n23 h ILE 396 Cb 0.43 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 1n23 h ILE 396 CO 0.02 0.22 -0.06 0.28 -0.69 0.00 0.00 178.15 177.92 1n23 h SER 397 N 1.23 0.98 -0.60 1.72 0.02 -1.10 -1.46 113.55 114.34 1n23 h SER 397 Ca 0.36 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1n23 h SER 397 Cb -0.05 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1n23 h SER 397 CO -0.10 1.08 0.32 0.44 -1.14 0.00 0.00 176.83 177.43 1n23 h ASP 398 N 0.86 0.76 -0.66 3.07 3.32 -0.15 -1.30 116.42 122.33 1n23 h ASP 398 Ca 0.15 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1n23 h ASP 398 Cb 0.61 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1n23 h ASP 398 CO 0.04 0.65 0.34 0.00 -1.72 0.00 0.00 179.24 178.55 1n23 h ALA 399 N 1.14 0.84 -0.24 3.45 0.00 -0.77 -1.10 119.26 122.59 1n23 h ALA 399 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n23 h ALA 399 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1n23 h ALA 399 CO -0.03 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.66 1n23 h ALA 400 N 1.16 1.67 0.07 0.00 0.00 -0.82 -1.76 119.26 119.57 1n23 h ALA 400 Ca 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n23 h ALA 400 Cb 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n23 h ALA 400 CO -0.03 0.26 -0.03 -0.92 0.00 0.00 0.00 179.25 178.52 1n23 h TYR 401 N 0.34 -0.08 -0.65 0.00 3.20 -0.20 -0.90 116.97 118.67 1n23 h TYR 401 Ca 0.08 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.04 1n23 h TYR 401 Cb 0.13 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1n23 h TYR 401 CO 0.00 0.30 0.30 -0.44 -1.64 0.00 0.00 178.16 176.68 1n23 h ASP 402 N -0.48 0.36 -0.42 -2.11 3.32 -0.88 0.27 116.42 116.49 1n23 h ASP 402 Ca -0.01 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1n23 h ASP 402 Cb 0.42 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1n23 h ASP 402 CO 0.01 0.22 -0.13 0.40 -1.72 0.00 0.00 179.24 178.02 1n23 h ILE 403 N 0.52 1.26 -0.63 0.35 2.04 -1.32 -0.24 117.51 119.49 1n23 h ILE 403 Ca 0.32 -1.25 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 1n23 h ILE 403 Cb 0.34 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1n23 h ILE 403 CO -0.27 0.43 0.06 0.25 0.00 0.00 0.00 178.15 178.62 1n23 h LEU 404 N 0.79 1.03 -0.18 1.44 5.85 -0.06 0.96 115.31 125.14 1n23 h LEU 404 Ca 0.12 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1n23 h LEU 404 Cb 0.66 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1n23 h LEU 404 CO 0.05 1.05 -0.19 0.50 -0.34 0.00 0.00 178.44 179.51 1n23 h LYS 405 N 0.99 0.46 0.11 1.25 3.11 -0.26 -1.21 116.57 121.01 1n23 h LYS 405 Ca 0.19 -0.24 -0.17 0.00 -2.81 0.00 0.00 60.65 57.61 1n23 h LYS 405 Cb 0.49 0.01 0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1n23 h LYS 405 CO 0.02 0.82 -0.74 0.93 -2.81 0.00 0.00 179.45 177.67 1n23 h GLU 406 N 0.11 0.31 -0.19 1.90 4.39 -1.01 -3.39 114.58 116.71 1n23 h GLU 406 Ca 0.03 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1n23 h GLU 406 Cb 0.74 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1n23 h GLU 406 CO 0.05 1.20 0.00 0.72 -1.16 0.00 0.00 179.01 179.82 1n23 n HIS 407 N -4.16 0.25 -1.47 4.33 8.25 0.32 -4.99 115.22 117.74 1n23 n HIS 407 Ca -0.13 -0.26 -0.16 0.00 -0.26 0.00 0.00 57.72 56.91 1n23 n HIS 407 Cb 0.78 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.80 1n23 n HIS 407 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n23 n GLY 408 N 0.59 1.58 3.28 -1.41 0.00 -0.46 -4.98 105.19 103.81 1n23 n GLY 408 Ca 0.09 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1n23 n GLY 408 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n23 s PHE 409 N -2.47 2.39 -0.41 1.61 5.36 -1.25 -4.98 117.98 118.22 1n23 s PHE 409 Ca 0.00 -0.61 -0.14 0.00 -0.96 0.00 0.00 56.93 55.21 1n23 s PHE 409 Cb 0.00 -1.55 0.03 0.00 -0.34 0.00 0.00 43.02 41.16 1n23 s PHE 409 CO 0.00 -0.15 0.30 0.12 -1.46 0.00 0.00 175.22 174.03 1n23 s PHE 410 N -0.33 3.24 -0.58 10.12 5.36 -1.26 -3.03 117.98 131.49 1n23 s PHE 410 Ca 0.02 -0.72 0.14 0.00 -0.96 0.00 0.00 56.93 55.40 1n23 s PHE 410 Cb -0.12 -2.65 0.42 0.00 -0.34 0.00 0.00 43.02 40.33 1n23 s PHE 410 CO 0.02 -0.63 1.34 0.00 -1.46 0.00 0.00 175.22 174.49 1n23 h LEU 412 N 1.98 -0.06 -1.24 0.00 5.85 -1.92 -0.81 115.31 119.11 1n23 h LEU 412 Ca 0.00 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.00 1n23 h LEU 412 Cb 1.08 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 1n23 h LEU 412 CO 0.11 -0.18 0.55 0.06 -0.34 0.00 0.00 178.44 178.63 1n23 h GLN 413 N 0.18 0.87 0.09 1.25 3.07 -2.00 -0.76 115.11 117.80 1n23 h GLN 413 Ca 0.55 -0.05 -0.26 0.00 0.09 0.00 0.00 58.65 58.98 1n23 h GLN 413 Cb 1.12 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.49 1n23 h GLN 413 CO -0.68 0.57 -1.14 1.88 0.09 0.00 0.00 178.83 179.55 1n23 h TYR 414 N 0.89 0.54 -0.46 0.06 -1.99 -1.54 -2.78 116.97 111.70 1n23 h TYR 414 Ca 0.37 -0.36 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1n23 h TYR 414 Cb 0.28 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1n23 h TYR 414 CO -0.00 1.24 0.09 -0.07 -0.00 0.00 0.00 178.16 179.42 1n23 h LEU 415 N 0.13 0.65 -0.71 3.88 3.38 -0.91 -1.49 115.31 120.24 1n23 h LEU 415 Ca -0.12 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1n23 h LEU 415 Cb 1.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 1n23 h LEU 415 CO 0.19 0.66 -0.17 0.03 0.09 0.00 0.00 178.44 179.24 1n23 h ARG 416 N 0.68 0.81 -0.46 1.13 3.08 -1.14 -2.73 114.38 115.75 1n23 h ARG 416 Ca 0.15 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 1n23 h ARG 416 Cb 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1n23 h ARG 416 CO 0.00 0.92 -0.10 -0.22 -1.07 0.00 0.00 179.97 179.50 1n23 h LYS 417 N 0.72 0.83 -0.26 0.04 3.64 -1.11 0.16 116.57 120.59 1n23 h LYS 417 Ca 0.11 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1n23 h LYS 417 Cb 0.68 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1n23 h LYS 417 CO 0.05 0.90 -0.00 0.77 -2.27 0.00 0.00 179.45 178.89 1n23 h SER 418 N 0.75 -0.11 -0.13 4.20 0.02 -1.03 0.38 113.55 117.63 1n23 h SER 418 Ca 0.13 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 1n23 h SER 418 Cb 0.60 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1n23 h SER 418 CO 0.04 -0.02 -0.16 0.58 -1.14 0.00 0.00 176.83 176.12 1n23 h VAL 419 N 0.08 1.36 -0.61 2.27 2.07 -1.23 -3.04 116.25 117.14 1n23 h VAL 419 Ca 0.12 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1n23 h VAL 419 Cb 0.16 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1n23 h VAL 419 CO -0.21 0.40 0.39 0.58 0.02 0.00 0.00 177.57 178.75 1n23 h VAL 420 N -0.07 1.12 -0.44 2.57 2.07 -0.48 -1.41 116.25 119.61 1n23 h VAL 420 Ca 0.02 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1n23 h VAL 420 Cb 0.72 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1n23 h VAL 420 CO 0.04 0.14 0.19 0.44 0.02 0.00 0.00 177.57 178.40 1n23 h ASP 421 N 0.79 0.56 0.17 0.57 3.32 -0.99 -0.96 116.42 119.88 1n23 h ASP 421 Ca 0.24 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1n23 h ASP 421 Cb -0.04 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1n23 h ASP 421 CO -0.07 0.50 -0.08 0.25 -1.72 0.00 0.00 179.24 178.11 1n23 h LEU 422 N 0.62 -0.19 -1.16 1.55 5.85 -1.22 -2.26 115.31 118.49 1n23 h LEU 422 Ca 0.15 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1n23 h LEU 422 Cb 0.11 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1n23 h LEU 422 CO -0.02 0.13 -0.27 -0.37 -0.34 0.00 0.00 178.44 177.57 1n23 h VAL 423 N -0.54 1.25 -0.28 1.05 -1.51 -1.12 -1.72 116.25 113.38 1n23 h VAL 423 Ca -0.02 -1.17 -0.06 0.00 -1.23 0.00 0.00 66.70 64.21 1n23 h VAL 423 Cb 0.41 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1n23 h VAL 423 CO 0.04 0.35 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.30 1n23 h GLU 424 N 0.22 0.46 -0.22 5.19 5.08 -1.14 0.13 114.58 124.31 1n23 h GLU 424 Ca 0.03 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 1n23 h GLU 424 Cb 0.60 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1n23 h GLU 424 CO 0.04 0.57 -0.45 0.00 -1.00 0.00 0.00 179.01 178.17 1n23 h ALA 425 N 1.47 0.81 -0.50 3.43 0.00 -0.77 -0.68 119.26 123.03 1n23 h ALA 425 Ca 0.08 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1n23 h ALA 425 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1n23 h ALA 425 CO 0.02 0.66 0.06 1.88 0.00 0.00 0.00 179.25 181.87 1n23 h TYR 426 N 0.44 0.90 -0.57 0.00 0.99 -0.53 -1.39 116.97 116.81 1n23 h TYR 426 Ca 0.03 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.57 1n23 h TYR 426 Cb 0.96 -0.24 -0.02 0.00 1.00 0.00 0.00 36.73 38.42 1n23 h TYR 426 CO 0.04 0.83 0.13 0.35 -0.00 0.00 0.00 178.16 179.51 1n23 h PHE 427 N 0.71 0.96 0.02 4.88 3.57 -0.56 -0.04 116.94 126.49 1n23 h PHE 427 Ca 0.15 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1n23 h PHE 427 Cb 0.43 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1n23 h PHE 427 CO 0.03 0.83 -0.15 1.25 -2.23 0.00 0.00 178.31 178.04 1n23 h HIS 428 N 0.82 -0.38 -0.76 0.41 2.76 -0.89 0.11 115.15 117.22 1n23 h HIS 428 Ca 0.18 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 1n23 h HIS 428 Cb 0.35 0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 1n23 h HIS 428 CO 0.02 -0.22 0.50 0.93 -1.30 0.00 0.00 177.93 177.87 1n23 h GLU 429 N -0.25 0.96 -0.70 5.26 5.08 -1.01 -1.74 114.58 122.17 1n23 h GLU 429 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1n23 h GLU 429 Cb 0.31 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1n23 h GLU 429 CO -0.13 0.63 0.23 0.00 -1.00 0.00 0.00 179.01 178.75 1n23 h ALA 430 N 1.54 0.92 -0.49 3.43 0.00 0.04 0.62 119.26 125.31 1n23 h ALA 430 Ca 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1n23 h ALA 430 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1n23 h ALA 430 CO -0.07 0.59 0.19 0.87 0.00 0.00 0.00 179.25 180.83 1n23 h LYS 431 N 1.03 0.74 -0.24 0.00 1.57 -0.14 -0.74 116.57 118.79 1n23 h LYS 431 Ca 0.23 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1n23 h LYS 431 Cb 0.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1n23 h LYS 431 CO -0.01 0.66 0.12 -1.49 -0.57 0.00 0.00 179.45 178.17 1n23 h TRP 432 N 0.66 0.22 0.05 -1.35 6.55 -0.95 -1.93 115.95 119.19 1n23 h TRP 432 Ca 0.16 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.01 1n23 h TRP 432 Cb 0.21 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 1n23 h TRP 432 CO 0.01 0.13 -0.02 -0.92 -1.05 0.00 0.00 178.44 176.58 1n23 h TYR 433 N 0.26 -0.06 0.00 0.49 3.20 -0.63 -1.93 116.97 118.29 1n23 h TYR 433 Ca 0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1n23 h TYR 433 Cb 0.02 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1n23 h TYR 433 CO -0.09 0.02 0.00 0.45 -1.64 0.00 0.00 178.16 176.90 1n23 h HIS 434 N -0.13 0.00 0.00 -3.82 3.86 -1.07 -2.60 115.15 111.38 1n23 h HIS 434 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1n23 h HIS 434 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1n23 h HIS 434 CO -0.05 0.00 -0.99 -1.13 0.86 0.00 0.00 177.93 176.62 1n23 n SER 435 N -2.80 0.75 0.00 2.45 3.41 -0.73 -4.96 113.62 111.74 1n23 n SER 435 Ca 0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1n23 n SER 435 Cb 0.25 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1n23 n SER 435 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n23 n GLY 436 N 1.46 0.78 3.77 5.00 0.00 -0.78 -5.02 105.19 110.39 1n23 n GLY 436 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1n23 n GLY 436 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1n23 s TYR 437 N -2.97 3.03 -0.29 1.61 5.04 -0.87 -5.02 117.35 117.88 1n23 s TYR 437 Ca 0.00 1.46 0.03 0.00 -2.44 0.00 0.00 57.07 56.12 1n23 s TYR 437 Cb 0.00 -3.60 0.07 0.00 0.35 0.00 0.00 41.96 38.78 1n23 s TYR 437 CO 0.00 -1.72 -0.05 0.99 -1.34 0.00 0.00 175.55 173.43 1n23 s THR 438 N -1.22 2.29 0.85 4.34 2.01 -1.26 -4.64 115.64 118.01 1n23 s THR 438 Ca 0.52 -1.85 -0.11 0.00 0.31 0.00 0.00 61.69 60.56 1n23 s THR 438 Cb -0.37 -2.46 0.10 0.00 0.01 0.00 0.00 72.50 69.78 1n23 s THR 438 CO 0.49 -0.23 1.10 -2.84 -0.69 0.00 0.00 174.62 172.44 1n23 s PRO 439 N 1.05 1.65 0.71 4.92 0.02 -1.26 -5.02 135.00 137.08 1n23 s PRO 439 Ca -0.02 1.08 -0.11 0.00 0.02 0.00 0.00 61.00 61.96 1n23 s PRO 439 Cb -0.20 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.51 1n23 s PRO 439 CO -0.06 -2.04 1.08 -1.54 -0.33 0.00 0.00 177.00 174.12 1n23 s SER 440 N -3.29 5.31 0.18 2.53 1.04 -1.26 -4.78 113.70 113.42 1n23 s SER 440 Ca 0.63 1.30 -0.16 0.00 0.48 0.00 0.00 55.95 58.20 1n23 s SER 440 Cb -0.18 -2.14 0.13 0.00 0.10 0.00 0.00 66.02 63.93 1n23 s SER 440 CO 0.57 -1.45 1.66 0.25 0.98 0.00 0.00 173.24 175.25 1n23 h LEU 441 N -0.73 -0.39 -1.13 2.42 5.85 -1.93 -0.71 115.31 118.69 1n23 h LEU 441 Ca -0.45 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 1n23 h LEU 441 Cb 1.24 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1n23 h LEU 441 CO 0.61 -0.14 -0.16 0.44 -0.34 0.00 0.00 178.44 178.86 1n23 h ASP 442 N 0.01 0.41 0.28 1.25 3.32 -1.96 -0.31 116.42 119.42 1n23 h ASP 442 Ca 0.22 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 1n23 h ASP 442 Cb 0.33 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1n23 h ASP 442 CO -0.45 0.59 -0.56 -0.08 -1.72 0.00 0.00 179.24 177.02 1n23 h GLU 443 N 0.39 0.29 0.36 3.56 4.81 -1.76 -2.43 114.58 119.80 1n23 h GLU 443 Ca 0.07 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1n23 h GLU 443 Cb 0.51 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1n23 h GLU 443 CO 0.03 0.77 -0.17 -0.92 -0.73 0.00 0.00 179.01 177.99 1n23 h TYR 444 N 0.22 -0.45 -0.52 0.92 3.20 -0.55 -3.24 116.97 116.56 1n23 h TYR 444 Ca 0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 1n23 h TYR 444 Cb 1.05 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1n23 h TYR 444 CO 0.02 -0.11 0.35 -0.07 -1.64 0.00 0.00 178.16 176.71 1n23 h LEU 445 N -0.87 0.34 -1.75 2.82 3.38 -1.09 0.46 115.31 118.59 1n23 h LEU 445 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1n23 h LEU 445 Cb 0.53 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1n23 h LEU 445 CO 0.08 0.22 0.06 -1.13 0.09 0.00 0.00 178.44 177.76 1n23 h ASN 446 N 0.39 0.19 0.02 -0.43 -1.24 -1.46 -1.09 115.58 111.96 1n23 h ASN 446 Ca 0.23 -0.01 -0.36 0.00 0.71 0.00 0.00 56.30 56.87 1n23 h ASN 446 Cb 0.42 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.37 1n23 h ASN 446 CO -0.06 0.18 -2.01 -0.38 -1.29 0.00 0.00 177.43 173.87 1n23 n ILE 447 N -4.47 1.56 0.33 2.57 2.08 -0.33 -4.43 119.36 116.67 1n23 n ILE 447 Ca -0.01 -0.33 0.22 0.00 0.56 0.00 0.00 62.75 63.20 1n23 n ILE 447 Cb 0.11 -1.85 1.17 0.00 -0.75 0.00 0.00 39.64 38.32 1n23 n ILE 447 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n23 h ALA 448 N -0.53 1.00 -0.00 -1.39 0.00 -0.09 0.73 119.26 118.98 1n23 h ALA 448 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n23 h ALA 448 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1n23 h ALA 448 CO -0.23 0.00 -0.05 0.36 0.00 0.00 0.00 179.25 179.33 1n23 n LYS 449 N -3.04 0.07 -0.13 0.00 2.85 -0.42 -2.33 118.16 115.16 1n23 n LYS 449 Ca -0.03 -0.01 -0.21 0.00 -1.05 0.00 0.00 58.31 57.02 1n23 n LYS 449 Cb 0.08 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.85 1n23 n LYS 449 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n23 n ILE 450 N -1.46 1.44 0.29 0.58 2.08 0.17 -4.40 119.36 118.07 1n23 n ILE 450 Ca 0.08 -0.49 0.18 0.00 0.56 0.00 0.00 62.75 63.07 1n23 n ILE 450 Cb 0.33 -1.54 0.83 0.00 -0.75 0.00 0.00 39.64 38.51 1n23 n ILE 450 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1n23 h SER 451 N -0.30 0.00 0.43 4.38 4.64 -1.38 -1.34 113.55 119.98 1n23 h SER 451 Ca -0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1n23 h SER 451 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1n23 h SER 451 CO -0.19 0.03 0.00 0.55 -0.87 0.00 0.00 176.83 176.35 1n23 n VAL 452 N -3.20 0.35 -0.81 0.95 3.14 -0.98 -4.90 118.33 112.88 1n23 n VAL 452 Ca -0.01 0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1n23 n VAL 452 Cb 0.24 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 1n23 n VAL 452 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1n23 n ALA 453 N -1.30 0.00 -0.14 1.55 0.00 -0.51 -4.91 120.51 115.20 1n23 n ALA 453 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 1n23 n ALA 453 Cb 0.18 -0.52 0.04 0.00 0.00 0.00 0.00 19.45 19.15 1n23 n ALA 453 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1n23 h SER 454 N 0.00 -0.28 -0.79 0.00 0.02 -1.80 0.41 113.55 111.11 1n23 h SER 454 Ca 0.00 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1n23 h SER 454 Cb 0.09 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1n23 h SER 454 CO 0.00 -0.10 0.45 -0.65 -1.14 0.00 0.00 176.83 175.40 1n23 h PRO 455 N 0.07 1.10 0.00 3.45 0.11 -1.82 -0.24 132.00 134.67 1n23 h PRO 455 Ca 0.23 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1n23 h PRO 455 Cb 0.34 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1n23 h PRO 455 CO -0.41 0.79 -0.21 0.00 -0.21 0.00 0.00 178.00 177.96 1n23 h ALA 456 N 1.24 1.60 0.18 -0.75 0.00 -1.53 -0.42 119.26 119.59 1n23 h ALA 456 Ca 0.28 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.66 1n23 h ALA 456 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n23 h ALA 456 CO -0.05 0.26 -1.70 0.82 0.00 0.00 0.00 179.25 178.58 1n23 h ILE 457 N 0.00 1.00 -0.00 0.00 2.04 -0.54 -3.38 117.51 116.62 1n23 h ILE 457 Ca -0.00 -2.57 -0.02 0.00 1.00 0.00 0.00 64.86 63.27 1n23 h ILE 457 Cb 0.38 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1n23 h ILE 457 CO 0.03 0.85 -0.06 0.40 0.00 0.00 0.00 178.15 179.37 1n23 h ILE 458 N 0.11 1.58 -0.96 -0.67 2.04 -0.89 -3.36 117.51 115.36 1n23 h ILE 458 Ca -0.32 -1.79 0.10 0.00 1.00 0.00 0.00 64.86 63.85 1n23 h ILE 458 Cb 2.10 2.77 -0.08 0.00 -0.74 0.00 0.00 36.82 40.87 1n23 h ILE 458 CO 0.19 0.47 0.59 0.77 0.00 0.00 0.00 178.15 180.17 1n23 h SER 459 N -0.68 0.88 -0.33 1.72 4.64 -1.29 -2.22 113.55 116.28 1n23 h SER 459 Ca -0.01 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1n23 h SER 459 Cb 0.80 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1n23 h SER 459 CO 0.01 0.49 0.06 -0.65 -0.87 0.00 0.00 176.83 175.87 1n23 h PRO 460 N 0.97 0.63 0.00 4.77 0.11 -1.74 -2.44 132.00 134.30 1n23 h PRO 460 Ca 0.46 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1n23 h PRO 460 Cb 0.40 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1n23 h PRO 460 CO -0.24 0.61 -0.03 1.79 -0.21 0.00 0.00 178.00 179.91 1n23 h THR 461 N 0.61 0.15 -0.67 -1.15 1.35 -1.55 -2.95 112.91 108.70 1n23 h THR 461 Ca 0.13 -0.34 0.13 0.00 -0.55 0.00 0.00 66.41 65.78 1n23 h THR 461 Cb 0.30 1.29 -0.09 0.00 -1.73 0.00 0.00 68.15 67.92 1n23 h THR 461 CO 0.00 0.03 0.20 0.22 -0.25 0.00 0.00 175.52 175.72 1n23 h TYR 462 N 0.00 0.32 0.00 4.73 3.20 -1.39 -1.18 116.97 122.65 1n23 h TYR 462 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1n23 h TYR 462 Cb 0.29 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1n23 h TYR 462 CO 0.00 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.71 1n23 n PHE 463 N -5.08 0.00 1.11 -3.82 3.01 -1.11 -3.09 117.46 108.47 1n23 n PHE 463 Ca 0.11 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.70 1n23 n PHE 463 Cb 0.37 -0.36 0.34 0.00 -0.01 0.00 0.00 39.48 39.82 1n23 n PHE 463 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n23 n THR 464 N -1.36 0.00 -3.25 4.37 -2.24 -0.45 -4.84 114.28 106.52 1n23 n THR 464 Ca 0.07 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 1n23 n THR 464 Cb 0.16 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1n23 n THR 464 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1n23 s PHE 465 N -2.79 3.41 0.44 4.78 0.40 -1.18 -4.96 117.98 118.08 1n23 s PHE 465 Ca 0.17 0.83 0.21 0.00 -0.60 0.00 0.00 56.93 57.54 1n23 s PHE 465 Cb 0.18 -2.66 1.18 0.00 0.51 0.00 0.00 43.02 42.24 1n23 s PHE 465 CO 0.61 -0.04 1.84 0.00 0.70 0.00 0.00 175.22 178.34 1n23 h ALA 466 N 7.26 2.37 -0.29 5.36 0.00 -1.91 0.55 119.26 132.60 1n23 h ALA 466 Ca -0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1n23 h ALA 466 Cb 1.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n23 h ALA 466 CO 0.75 -0.68 0.00 0.27 0.00 0.00 0.00 179.25 179.59 1n23 n ASN 467 N -4.47 2.53 -4.76 0.00 6.94 -1.26 -4.92 115.26 109.32 1n23 n ASN 467 Ca 0.21 -2.23 -0.40 0.00 -0.02 0.00 0.00 54.58 52.13 1n23 n ASN 467 Cb 0.81 -0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 37.76 1n23 n ASN 467 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n23 s ALA 468 N -1.69 3.39 0.26 -2.53 0.00 0.18 -4.83 121.76 116.55 1n23 s ALA 468 Ca 0.23 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.73 1n23 s ALA 468 Cb 0.15 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 1n23 s ALA 468 CO 0.11 -0.08 1.01 0.45 0.00 0.00 0.00 175.76 177.24 1n23 s SER 469 N -0.89 7.48 0.00 0.00 0.15 -1.26 -4.94 113.70 114.24 1n23 s SER 469 Ca 0.44 2.09 0.22 0.00 0.70 0.00 0.00 55.95 59.40 1n23 s SER 469 Cb -0.30 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 61.91 1n23 s SER 469 CO 0.39 0.03 1.45 1.41 1.20 0.00 0.00 173.24 177.71 1n23 n HIS 470 N 1.35 0.59 -2.48 3.44 8.25 -1.26 -4.78 115.22 120.33 1n23 n HIS 470 Ca -0.02 -0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 56.73 1n23 n HIS 470 Cb 0.46 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 1n23 n HIS 470 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1n23 s ASP 471 N -1.34 7.05 0.55 0.41 -1.08 -1.26 -4.92 116.67 116.08 1n23 s ASP 471 Ca 0.40 1.76 0.29 0.00 -0.52 0.00 0.00 52.55 54.48 1n23 s ASP 471 Cb 0.22 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.59 1n23 s ASP 471 CO 0.30 -0.61 1.92 0.74 0.52 0.00 0.00 175.17 178.05 1n23 h THR 472 N 5.12 0.56 -0.14 1.71 2.02 -1.99 -1.36 112.91 118.83 1n23 h THR 472 Ca -0.32 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.67 1n23 h THR 472 Cb 1.15 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1n23 h THR 472 CO 0.90 0.00 -0.70 0.00 0.37 0.00 0.00 175.52 176.09 1n23 h ALA 473 N 1.58 0.52 -0.04 6.16 0.00 -1.99 -1.27 119.26 124.23 1n23 h ALA 473 Ca 0.33 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1n23 h ALA 473 Cb 1.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1n23 h ALA 473 CO -0.00 0.72 -0.01 0.28 0.00 0.00 0.00 179.25 180.23 1n23 h VAL 474 N 0.41 1.30 -0.82 0.00 2.07 -1.65 -1.74 116.25 115.82 1n23 h VAL 474 Ca -0.03 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1n23 h VAL 474 Cb 1.28 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.84 1n23 h VAL 474 CO 0.13 0.25 0.52 0.40 0.02 0.00 0.00 177.57 178.89 1n23 h ILE 475 N -0.28 1.12 -0.37 4.57 2.04 -1.47 -0.64 117.51 122.48 1n23 h ILE 475 Ca 0.01 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1n23 h ILE 475 Cb 0.41 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 1n23 h ILE 475 CO 0.00 0.19 -0.07 0.44 0.00 0.00 0.00 178.15 178.71 1n23 h ASP 476 N 1.01 0.61 -0.75 1.72 3.32 -1.20 -0.05 116.42 121.08 1n23 h ASP 476 Ca 0.33 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1n23 h ASP 476 Cb 0.02 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1n23 h ASP 476 CO -0.12 0.72 0.42 -1.28 -1.72 0.00 0.00 179.24 177.26 1n23 h SER 477 N 0.58 0.92 -0.34 6.45 0.87 -0.25 0.13 113.55 121.92 1n23 h SER 477 Ca 0.11 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1n23 h SER 477 Cb 0.47 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1n23 h SER 477 CO 0.02 0.74 0.11 0.25 -0.53 0.00 0.00 176.83 177.43 1n23 h LEU 478 N 1.03 0.49 -0.03 2.23 5.85 -0.39 -3.09 115.31 121.40 1n23 h LEU 478 Ca 0.26 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1n23 h LEU 478 Cb 0.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1n23 h LEU 478 CO -0.04 0.57 -0.05 -1.22 -0.34 0.00 0.00 178.44 177.36 1n23 n TYR 479 N -4.66 0.00 0.26 1.25 4.02 -0.11 -2.17 117.16 115.76 1n23 n TYR 479 Ca -0.01 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.97 1n23 n TYR 479 Cb 0.17 -0.35 0.69 0.00 -0.02 0.00 0.00 39.34 39.83 1n23 n TYR 479 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1n23 h GLN 480 N 0.07 0.00 -1.05 -0.72 5.75 -0.68 -3.45 115.11 115.04 1n23 h GLN 480 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1n23 h GLN 480 Cb 0.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1n23 h GLN 480 CO 0.00 0.02 0.00 0.66 -2.65 0.00 0.00 178.83 176.86 1n23 n TYR 481 N -4.37 0.00 -1.31 3.99 0.53 -0.92 -5.05 117.16 110.03 1n23 n TYR 481 Ca -0.03 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.48 1n23 n TYR 481 Cb 0.10 -0.53 0.05 0.00 -1.03 0.00 0.00 39.34 37.93 1n23 n TYR 481 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42 1n23 n HIS 482 N -0.24 -1.40 -0.31 -0.72 -0.00 -1.05 -4.51 115.22 106.99 1n23 n HIS 482 Ca 0.00 0.38 0.15 0.00 -0.00 0.00 0.00 57.72 58.24 1n23 n HIS 482 Cb 0.06 -1.86 0.33 0.00 -0.00 0.00 0.00 29.99 28.53 1n23 n HIS 482 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1n23 h ASP 483 N -0.14 0.39 -0.90 0.26 3.45 -1.94 -0.98 116.42 116.56 1n23 h ASP 483 Ca -0.45 0.16 0.09 0.00 0.43 0.00 0.00 57.03 57.26 1n23 h ASP 483 Cb 1.38 0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 40.21 1n23 h ASP 483 CO 0.43 -0.00 0.58 0.40 -1.57 0.00 0.00 179.24 179.08 1n23 h ILE 484 N 0.42 0.99 0.04 0.35 2.04 -1.95 0.31 117.51 119.70 1n23 h ILE 484 Ca 0.59 -0.32 -0.19 0.00 1.00 0.00 0.00 64.86 65.94 1n23 h ILE 484 Cb 1.14 -0.02 0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1n23 h ILE 484 CO -0.53 0.17 -0.76 -0.07 0.00 0.00 0.00 178.15 176.95 1n23 h LEU 485 N 0.93 0.61 -0.46 1.44 3.38 -1.51 -2.32 115.31 117.37 1n23 h LEU 485 Ca 0.41 -0.79 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1n23 h LEU 485 Cb 0.36 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1n23 h LEU 485 CO -0.17 1.33 0.26 0.00 0.09 0.00 0.00 178.44 179.95 1n23 h LEU 487 N 0.52 0.84 -1.89 0.00 3.38 -0.48 -0.99 115.31 116.68 1n23 h LEU 487 Ca 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1n23 h LEU 487 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1n23 h LEU 487 CO -0.11 0.81 -0.08 0.00 0.09 0.00 0.00 178.44 179.15 1n23 h ALA 488 N 1.30 1.77 -0.10 1.53 0.00 -0.74 0.22 119.26 123.25 1n23 h ALA 488 Ca 0.19 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1n23 h ALA 488 Cb 0.29 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1n23 h ALA 488 CO -0.00 0.11 -0.81 0.78 0.00 0.00 0.00 179.25 179.32 1n23 h GLY 489 N 0.29 0.81 0.95 0.00 0.00 0.05 -2.75 103.07 102.41 1n23 h GLY 489 Ca -0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.05 1n23 h GLY 489 CO 0.01 1.08 0.02 -2.22 0.00 0.00 0.00 176.54 175.43 1n23 h ILE 490 N 0.43 1.26 -0.40 2.60 1.08 -0.10 0.86 117.51 123.24 1n23 h ILE 490 Ca -0.07 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.37 1n23 h ILE 490 Cb 1.46 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 36.28 1n23 h ILE 490 CO 0.17 0.33 0.05 0.40 -0.69 0.00 0.00 178.15 178.41 1n23 h ILE 491 N 0.54 1.20 0.24 -0.67 2.04 -0.66 -2.13 117.51 118.06 1n23 h ILE 491 Ca 0.12 -0.76 -0.34 0.00 1.00 0.00 0.00 64.86 64.87 1n23 h ILE 491 Cb 0.45 0.85 0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1n23 h ILE 491 CO 0.02 0.27 -1.55 0.25 0.00 0.00 0.00 178.15 177.14 1n23 h LEU 492 N 0.59 0.78 -0.46 1.44 5.85 -1.37 -3.36 115.31 118.78 1n23 h LEU 492 Ca 0.13 -0.90 0.01 0.00 0.84 0.00 0.00 57.88 57.95 1n23 h LEU 492 Cb 0.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1n23 h LEU 492 CO 0.00 1.72 0.30 -0.09 -0.34 0.00 0.00 178.44 180.04 1n23 h ARG 493 N 0.14 0.60 0.40 1.25 9.65 -0.66 -2.15 114.38 123.61 1n23 h ARG 493 Ca -0.28 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.55 1n23 h ARG 493 Cb 2.15 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 30.60 1n23 h ARG 493 CO 0.25 0.40 -0.19 -0.07 2.80 0.00 0.00 179.97 183.16 1n23 h LEU 494 N 0.62 -0.45 -0.87 3.80 3.38 -1.55 -0.82 115.31 119.41 1n23 h LEU 494 Ca 0.17 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1n23 h LEU 494 Cb -0.07 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1n23 h LEU 494 CO -0.04 -0.30 0.56 -0.65 0.09 0.00 0.00 178.44 178.11 1n23 h PRO 495 N -0.56 1.07 -0.32 1.13 0.11 -1.69 -1.30 132.00 130.43 1n23 h PRO 495 Ca -0.05 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.02 1n23 h PRO 495 Cb 0.43 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1n23 h PRO 495 CO 0.09 0.71 0.14 0.22 -0.21 0.00 0.00 178.00 178.95 1n23 h ASP 496 N 1.10 0.20 -0.77 -2.05 1.82 -1.14 -0.18 116.42 115.39 1n23 h ASP 496 Ca 0.35 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.97 1n23 h ASP 496 Cb 0.00 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 1n23 h ASP 496 CO -0.12 0.15 0.31 0.44 -1.61 0.00 0.00 179.24 178.42 1n23 h ASP 497 N 0.30 1.07 -0.37 2.28 3.32 -0.73 0.54 116.42 122.84 1n23 h ASP 497 Ca 0.14 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1n23 h ASP 497 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 1n23 h ASP 497 CO -0.11 0.95 0.22 -0.07 -1.72 0.00 0.00 179.24 178.51 1n23 h LEU 498 N 1.12 0.45 0.00 1.55 4.07 -0.68 -2.03 115.31 119.80 1n23 h LEU 498 Ca 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1n23 h LEU 498 Cb 0.21 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1n23 h LEU 498 CO -0.02 0.35 -1.10 0.61 -1.08 0.00 0.00 178.44 177.20 1n23 n GLY 499 N -1.40 -0.65 0.01 0.83 0.00 -0.13 -4.68 105.19 99.17 1n23 n GLY 499 Ca 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.60 1n23 n GLY 499 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n23 n THR 500 N -1.61 0.12 -0.34 2.61 -2.24 0.18 -2.65 114.28 110.34 1n23 n THR 500 Ca 0.01 -0.14 0.16 0.00 -2.27 0.00 0.00 64.05 61.81 1n23 n THR 500 Cb 0.32 -0.10 0.38 0.00 -2.10 0.00 0.00 70.33 68.83 1n23 n THR 500 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1n23 h SER 501 N 0.00 0.69 -0.30 3.42 4.64 -1.50 -1.46 113.55 119.04 1n23 h SER 501 Ca -0.05 0.10 0.07 0.00 -0.47 0.00 0.00 61.79 61.45 1n23 h SER 501 Cb 0.62 -0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.62 1n23 h SER 501 CO 0.00 0.20 -0.24 0.22 -0.87 0.00 0.00 176.83 176.14 1n23 h TYR 502 N 0.64 -0.63 0.02 4.77 3.20 -1.84 0.31 116.97 123.44 1n23 h TYR 502 Ca 0.59 0.04 -0.25 0.00 3.14 0.00 0.00 58.73 62.25 1n23 h TYR 502 Cb 1.09 0.33 0.01 0.00 1.54 0.00 0.00 36.73 39.70 1n23 h TYR 502 CO -0.00 -0.32 -1.03 0.74 -1.64 0.00 0.00 178.16 175.91 1n23 h PHE 503 N -0.22 0.84 -0.69 -3.82 -1.00 -1.70 -3.13 116.94 107.22 1n23 h PHE 503 Ca 0.16 -0.47 -0.02 0.00 2.81 0.00 0.00 57.97 60.45 1n23 h PHE 503 Cb 0.46 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1n23 h PHE 503 CO -0.42 1.30 0.36 0.93 -1.61 0.00 0.00 178.31 178.87 1n23 h GLU 504 N 0.30 0.97 -0.98 1.51 5.08 -1.00 -2.66 114.58 117.81 1n23 h GLU 504 Ca -0.11 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1n23 h GLU 504 Cb 1.68 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.70 1n23 h GLU 504 CO 0.19 0.75 0.62 1.25 -1.00 0.00 0.00 179.01 180.82 1n23 h LEU 505 N 0.95 1.15 -0.67 1.33 5.85 -0.44 0.10 115.31 123.58 1n23 h LEU 505 Ca 0.24 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1n23 h LEU 505 Cb 0.07 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1n23 h LEU 505 CO -0.03 0.86 0.33 0.00 -0.34 0.00 0.00 178.44 179.26 1n23 h ALA 506 N 1.34 0.86 -0.01 1.25 0.00 -1.42 -3.08 119.26 118.21 1n23 h ALA 506 Ca 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n23 h ALA 506 Cb -0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1n23 h ALA 506 CO -0.07 0.41 -0.56 2.89 0.00 0.00 0.00 179.25 181.92 1n23 n ARG 507 N -4.48 0.60 0.00 0.00 -4.01 -1.12 -5.05 116.66 102.60 1n23 n ARG 507 Ca 0.05 -0.44 0.00 0.00 -1.04 0.00 0.00 57.85 56.42 1n23 n ARG 507 Cb 0.12 -1.49 0.00 0.00 -3.04 0.00 0.00 32.46 28.05 1n23 n ARG 507 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1n23 n GLY 508 N 1.43 1.54 3.59 2.89 0.00 0.34 -4.85 105.19 110.13 1n23 n GLY 508 Ca 0.08 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.86 1n23 n GLY 508 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n23 s ASP 509 N 0.00 -0.25 0.30 1.61 2.15 -1.22 -4.78 116.67 114.49 1n23 s ASP 509 Ca 0.00 -0.11 -0.27 0.00 0.43 0.00 0.00 52.55 52.60 1n23 s ASP 509 Cb 0.00 0.34 -0.14 0.00 -0.30 0.00 0.00 42.92 42.83 1n23 s ASP 509 CO 0.00 -0.59 0.93 0.52 -0.17 0.00 0.00 175.17 175.86 1n23 n VAL 510 N -0.30 2.02 -1.69 1.11 0.31 -1.26 -4.81 118.33 113.71 1n23 n VAL 510 Ca -0.06 -0.50 -0.44 0.00 -0.01 0.00 0.00 64.34 63.33 1n23 n VAL 510 Cb 0.61 -0.89 -0.02 0.00 -0.91 0.00 0.00 33.84 32.62 1n23 n VAL 510 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1n23 n PRO 511 N 0.68 2.20 -1.66 5.55 -0.02 -1.26 -4.96 135.00 135.53 1n23 n PRO 511 Ca 0.10 0.78 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 1n23 n PRO 511 Cb 0.33 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1n23 n PRO 511 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1n23 n LYS 512 N 2.09 0.57 -0.13 -0.52 4.76 -1.26 -4.78 118.16 118.88 1n23 n LYS 512 Ca 0.11 -1.26 -0.05 0.00 -2.87 0.00 0.00 58.31 54.23 1n23 n LYS 512 Cb 0.33 -0.20 -0.04 0.00 -1.84 0.00 0.00 35.03 33.28 1n23 n LYS 512 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1n23 h THR 513 N -0.22 0.00 -0.20 -0.18 2.02 -1.93 0.18 112.91 112.59 1n23 h THR 513 Ca -0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.10 1n23 h THR 513 Cb 0.53 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 1n23 h THR 513 CO 0.16 0.00 -0.42 0.40 0.37 0.00 0.00 175.52 176.03 1n23 h ILE 514 N -0.07 0.15 -0.94 3.11 1.08 -1.94 -0.25 117.51 118.65 1n23 h ILE 514 Ca 0.05 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.59 1n23 h ILE 514 Cb 0.21 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.04 1n23 h ILE 514 CO -0.33 0.00 0.59 -0.61 -0.69 0.00 0.00 178.15 177.11 1n23 h GLN 515 N -0.44 1.04 -0.56 2.37 4.15 -1.85 -0.42 115.11 119.40 1n23 h GLN 515 Ca 0.09 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1n23 h GLN 515 Cb 0.61 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1n23 h GLN 515 CO -0.44 0.69 -0.07 0.00 -1.93 0.00 0.00 178.83 177.08 1n23 h TYR 517 N 0.91 0.30 -0.85 0.00 3.20 -0.47 -2.85 116.97 117.22 1n23 h TYR 517 Ca 0.15 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1n23 h TYR 517 Cb 0.64 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1n23 h TYR 517 CO 0.04 0.51 0.51 0.52 -1.64 0.00 0.00 178.16 178.11 1n23 h MET 518 N 0.01 1.15 0.00 1.82 2.86 -1.07 -1.19 114.93 118.50 1n23 h MET 518 Ca 0.04 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1n23 h MET 518 Cb 0.39 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1n23 h MET 518 CO 0.01 0.81 -0.06 -0.22 1.06 0.00 0.00 176.91 178.51 1n23 h LYS 519 N 1.17 0.00 0.05 1.72 3.64 -1.45 0.51 116.57 122.22 1n23 h LYS 519 Ca 0.31 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.36 1n23 h LYS 519 Cb -0.05 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1n23 h LYS 519 CO -0.06 0.06 -1.81 1.49 -2.27 0.00 0.00 179.45 176.86 1n23 h GLU 520 N 0.00 0.11 -0.00 1.90 4.81 -1.19 -3.40 114.58 116.81 1n23 h GLU 520 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1n23 h GLU 520 Cb 0.66 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1n23 h GLU 520 CO 0.01 0.80 -0.15 0.25 -0.73 0.00 0.00 179.01 179.19 1n23 n THR 521 N -3.23 0.00 -1.13 0.32 -2.24 -0.49 -4.99 114.28 102.51 1n23 n THR 521 Ca -0.23 -0.42 -0.05 0.00 -2.27 0.00 0.00 64.05 61.08 1n23 n THR 521 Cb 1.05 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 70.31 1n23 n THR 521 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1n23 n ASN 522 N -0.52 -5.20 -4.72 3.42 3.02 0.18 -4.96 115.26 106.47 1n23 n ASN 522 Ca 0.02 0.11 -0.31 0.00 -0.03 0.00 0.00 54.58 54.37 1n23 n ASN 522 Cb 0.11 -3.10 0.13 0.00 -0.61 0.00 0.00 39.78 36.31 1n23 n ASN 522 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n23 s ALA 523 N -1.62 1.87 0.68 5.41 0.00 -1.24 -5.01 121.76 121.84 1n23 s ALA 523 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 51.96 52.33 1n23 s ALA 523 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1n23 s ALA 523 CO 0.00 -2.25 1.07 -1.54 0.00 0.00 0.00 175.76 173.03 1n23 s SER 524 N -2.93 5.59 0.30 0.00 1.04 -1.26 -4.70 113.70 111.74 1n23 s SER 524 Ca 0.65 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 58.21 1n23 s SER 524 Cb -0.21 -2.00 0.49 0.00 0.10 0.00 0.00 66.02 64.41 1n23 s SER 524 CO 0.56 -1.23 1.95 -0.08 0.98 0.00 0.00 173.24 175.41 1n23 h GLU 525 N -0.55 1.03 -0.52 4.02 4.81 -1.98 0.12 114.58 121.51 1n23 h GLU 525 Ca -0.45 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 1n23 h GLU 525 Cb 1.24 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1n23 h GLU 525 CO 0.63 0.68 0.01 0.93 -0.73 0.00 0.00 179.01 180.54 1n23 h GLU 526 N 1.06 0.87 -0.14 1.92 3.07 -2.00 -1.26 114.58 118.10 1n23 h GLU 526 Ca 0.34 -0.24 -0.15 0.00 -0.50 0.00 0.00 59.36 58.81 1n23 h GLU 526 Cb 0.02 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1n23 h GLU 526 CO -0.10 0.86 -0.54 0.93 -1.40 0.00 0.00 179.01 178.76 1n23 h GLU 527 N 0.81 0.42 -0.14 2.33 5.08 -1.61 -2.60 114.58 118.87 1n23 h GLU 527 Ca 0.16 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1n23 h GLU 527 Cb 0.46 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1n23 h GLU 527 CO 0.02 0.85 -0.02 0.00 -1.00 0.00 0.00 179.01 178.86 1n23 h ALA 528 N 1.10 0.19 -0.53 3.43 0.00 -0.42 -1.07 119.26 121.95 1n23 h ALA 528 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1n23 h ALA 528 Cb 1.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1n23 h ALA 528 CO 0.09 -0.09 0.28 0.28 0.00 0.00 0.00 179.25 179.81 1n23 h VAL 529 N -0.03 0.97 -0.20 0.00 2.07 -1.23 0.15 116.25 117.97 1n23 h VAL 529 Ca 0.04 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1n23 h VAL 529 Cb 0.41 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1n23 h VAL 529 CO 0.01 0.10 -0.07 -0.08 0.02 0.00 0.00 177.57 177.55 1n23 h GLU 530 N 0.55 0.31 -0.17 1.57 4.57 -1.39 -0.96 114.58 119.06 1n23 h GLU 530 Ca 0.23 -0.06 -0.19 0.00 -1.18 0.00 0.00 59.36 58.16 1n23 h GLU 530 Cb 0.12 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1n23 h GLU 530 CO -0.15 0.40 -0.66 1.25 -1.18 0.00 0.00 179.01 178.66 1n23 h HIS 531 N 0.30 0.84 -0.72 0.92 2.76 0.18 -2.25 115.15 117.18 1n23 h HIS 531 Ca 0.06 -0.34 -0.06 0.00 -2.20 0.00 0.00 60.37 57.84 1n23 h HIS 531 Cb 0.32 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 1n23 h HIS 531 CO 0.01 1.13 0.22 0.28 -1.30 0.00 0.00 177.93 178.26 1n23 h VAL 532 N 0.47 1.26 -0.56 5.26 2.07 -0.03 -0.35 116.25 124.37 1n23 h VAL 532 Ca -0.02 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1n23 h VAL 532 Cb 1.25 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1n23 h VAL 532 CO 0.13 0.35 0.27 0.11 0.02 0.00 0.00 177.57 178.46 1n23 h LYS 533 N 1.07 0.78 0.01 1.57 1.57 -1.08 -0.49 116.57 120.01 1n23 h LYS 533 Ca 0.23 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1n23 h LYS 533 Cb 0.31 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1n23 h LYS 533 CO -0.01 0.60 -0.00 0.35 -0.57 0.00 0.00 179.45 179.82 1n23 h PHE 534 N 0.78 -0.01 -0.74 -1.35 3.57 -0.73 -2.53 116.94 115.93 1n23 h PHE 534 Ca 0.20 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.75 1n23 h PHE 534 Cb 0.07 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 1n23 h PHE 534 CO 0.01 0.18 0.49 -0.07 -2.23 0.00 0.00 178.31 176.68 1n23 h LEU 535 N -0.20 0.72 -0.38 0.59 3.38 -0.39 -0.70 115.31 118.33 1n23 h LEU 535 Ca -0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1n23 h LEU 535 Cb 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1n23 h LEU 535 CO 0.00 0.47 0.10 0.40 0.09 0.00 0.00 178.44 179.51 1n23 h ILE 536 N 0.82 1.22 -0.62 1.22 2.04 -0.94 0.32 117.51 121.57 1n23 h ILE 536 Ca 0.31 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1n23 h ILE 536 Cb 0.19 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1n23 h ILE 536 CO -0.10 0.26 0.26 0.03 0.00 0.00 0.00 178.15 178.60 1n23 h ARG 537 N 0.46 0.91 -0.73 2.37 3.08 -0.96 -1.59 114.38 117.93 1n23 h ARG 537 Ca 0.12 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1n23 h ARG 537 Cb 0.29 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1n23 h ARG 537 CO -0.00 0.76 0.31 1.49 -1.07 0.00 0.00 179.97 181.46 1n23 h GLU 538 N 0.85 1.07 -0.81 0.04 4.57 -0.82 -0.98 114.58 118.50 1n23 h GLU 538 Ca 0.21 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1n23 h GLU 538 Cb 0.18 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1n23 h GLU 538 CO -0.02 0.87 0.42 0.00 -1.18 0.00 0.00 179.01 179.10 1n23 h ALA 539 N 1.15 1.04 -0.17 2.92 0.00 0.02 -0.73 119.26 123.49 1n23 h ALA 539 Ca 0.25 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1n23 h ALA 539 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1n23 h ALA 539 CO -0.02 0.58 -0.43 -1.49 0.00 0.00 0.00 179.25 177.89 1n23 h TRP 540 N 1.14 0.48 -0.44 0.00 4.06 -0.85 0.89 115.95 121.23 1n23 h TRP 540 Ca 0.28 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 61.07 1n23 h TRP 540 Cb 0.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 1n23 h TRP 540 CO 0.01 0.77 0.19 -0.22 -3.56 0.00 0.00 178.44 175.63 1n23 h LYS 541 N 0.33 0.64 -0.31 0.49 3.64 -0.73 0.57 116.57 121.21 1n23 h LYS 541 Ca 0.03 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1n23 h LYS 541 Cb 0.90 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1n23 h LYS 541 CO 0.08 0.57 0.15 -0.44 -2.27 0.00 0.00 179.45 177.54 1n23 h ASP 542 N 0.56 0.41 -0.29 4.20 3.32 -0.80 -1.33 116.42 122.49 1n23 h ASP 542 Ca 0.15 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.11 1n23 h ASP 542 Cb 0.15 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1n23 h ASP 542 CO -0.02 0.42 0.10 -0.03 -1.72 0.00 0.00 179.24 177.99 1n23 h MET 543 N 0.37 0.22 -1.00 3.56 4.05 -0.51 0.22 114.93 121.84 1n23 h MET 543 Ca 0.11 -0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.56 1n23 h MET 543 Cb 0.11 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.80 1n23 h MET 543 CO -0.01 0.14 0.65 -0.91 0.23 0.00 0.00 176.91 177.01 1n23 h ASN 544 N 0.22 1.06 0.11 1.39 2.35 -0.69 0.44 115.58 120.46 1n23 h ASN 544 Ca 0.13 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1n23 h ASN 544 Cb 0.10 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1n23 h ASN 544 CO -0.14 0.70 -0.05 0.74 -1.65 0.00 0.00 177.43 177.03 1n23 h THR 545 N 1.22 1.06 -0.82 2.81 2.02 -0.19 -1.32 112.91 117.70 1n23 h THR 545 Ca 0.41 -0.69 0.07 0.00 0.77 0.00 0.00 66.41 66.97 1n23 h THR 545 Cb 0.08 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1n23 h THR 545 CO -0.15 0.17 0.49 0.00 0.37 0.00 0.00 175.52 176.40 1n23 h ALA 546 N 0.37 1.13 -0.55 6.16 0.00 -0.27 0.61 119.26 126.70 1n23 h ALA 546 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1n23 h ALA 546 Cb 0.38 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1n23 h ALA 546 CO 0.02 0.21 -0.04 0.82 0.00 0.00 0.00 179.25 180.26 1n23 h ILE 547 N 0.89 1.27 -0.22 0.00 2.04 -0.85 -2.84 117.51 117.79 1n23 h ILE 547 Ca 0.37 -1.17 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1n23 h ILE 547 Cb 0.21 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1n23 h ILE 547 CO -0.19 0.42 -0.19 0.00 0.00 0.00 0.00 178.15 178.19 1n23 h ALA 548 N 0.95 1.28 0.00 1.87 0.00 -0.51 -2.59 119.26 120.26 1n23 h ALA 548 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n23 h ALA 548 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1n23 h ALA 548 CO 0.04 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1n23 n ALA 549 N -2.48 1.26 0.00 0.00 0.00 0.14 -4.98 120.51 114.45 1n23 n ALA 549 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1n23 n ALA 549 Cb 0.34 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1n23 n ALA 549 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n23 n GLY 550 N -0.86 0.09 3.47 0.00 0.00 -0.98 -5.10 105.19 101.82 1n23 n GLY 550 Ca 0.00 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.20 1n23 n GLY 550 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n23 s TYR 551 N -2.98 -0.55 -2.24 1.61 -0.85 -1.26 -4.89 117.35 106.19 1n23 s TYR 551 Ca 0.00 0.61 0.19 0.00 -0.52 0.00 0.00 57.07 57.35 1n23 s TYR 551 Cb 0.00 0.50 0.63 0.00 0.38 0.00 0.00 41.96 43.47 1n23 s TYR 551 CO 0.00 -0.70 1.48 -0.35 -1.52 0.00 0.00 175.55 174.45 1n23 n PRO 552 N 0.14 1.84 -2.51 -3.49 -0.04 -1.26 -4.94 135.00 124.75 1n23 n PRO 552 Ca -0.16 -1.27 -0.27 0.00 -0.04 0.00 0.00 63.50 61.76 1n23 n PRO 552 Cb 0.61 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.71 1n23 n PRO 552 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1n23 s PHE 553 N -1.70 3.36 0.30 0.54 2.99 -1.26 -4.80 117.98 117.41 1n23 s PHE 553 Ca 0.31 0.68 -0.29 0.00 0.00 0.00 0.00 56.93 57.63 1n23 s PHE 553 Cb 0.17 -2.57 -0.10 0.00 0.00 0.00 0.00 43.02 40.52 1n23 s PHE 553 CO 0.25 -0.61 1.43 -2.14 -0.00 0.00 0.00 175.22 174.14 1n23 s PRO 554 N -4.88 4.25 0.42 0.24 0.02 -1.26 -4.88 135.00 128.90 1n23 s PRO 554 Ca 0.51 2.36 0.13 0.00 0.02 0.00 0.00 61.00 64.02 1n23 s PRO 554 Cb -0.10 -3.06 0.99 0.00 0.02 0.00 0.00 34.50 32.34 1n23 s PRO 554 CO 0.45 -0.40 1.95 -0.44 -0.33 0.00 0.00 177.00 178.23 1n23 h ASP 555 N 4.18 0.43 -0.68 2.53 3.32 -1.96 -0.84 116.42 123.39 1n23 h ASP 555 Ca -0.48 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.60 1n23 h ASP 555 Cb 1.22 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1n23 h ASP 555 CO 0.72 0.25 0.45 1.23 -1.72 0.00 0.00 179.24 180.17 1n23 h GLY 556 N 0.47 0.95 1.10 2.75 0.00 -1.99 0.13 103.07 106.48 1n23 h GLY 556 Ca 0.32 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 47.10 1n23 h GLY 556 CO -0.10 0.33 -0.69 1.98 0.00 0.00 0.00 176.54 178.07 1n23 h MET 557 N 0.90 0.75 -0.53 4.80 1.85 -1.53 -2.55 114.93 118.61 1n23 h MET 557 Ca 0.25 -0.59 -0.09 0.00 -0.61 0.00 0.00 59.70 58.66 1n23 h MET 557 Cb -0.07 0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 1n23 h MET 557 CO -0.06 1.20 -0.04 0.28 -0.40 0.00 0.00 176.91 177.89 1n23 h VAL 558 N 0.46 1.26 -0.98 -5.77 2.07 -1.04 0.17 116.25 112.42 1n23 h VAL 558 Ca -0.04 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1n23 h VAL 558 Cb 1.32 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1n23 h VAL 558 CO 0.14 0.41 0.65 0.00 0.02 0.00 0.00 177.57 178.79 1n23 h ALA 559 N 1.08 1.32 -0.40 1.67 0.00 -0.75 0.13 119.26 122.32 1n23 h ALA 559 Ca 0.15 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1n23 h ALA 559 Cb 0.57 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1n23 h ALA 559 CO 0.03 0.61 0.01 0.78 0.00 0.00 0.00 179.25 180.68 1n23 h GLY 560 N 1.30 0.75 1.01 0.00 0.00 -0.95 -1.30 103.07 103.87 1n23 h GLY 560 Ca 0.37 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1n23 h GLY 560 CO -0.09 0.50 0.48 0.00 0.00 0.00 0.00 176.54 177.43 1n23 h ALA 561 N 0.89 0.96 -0.54 3.60 0.00 0.26 -1.15 119.26 123.27 1n23 h ALA 561 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1n23 h ALA 561 Cb 0.47 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1n23 h ALA 561 CO 0.02 0.40 0.09 0.00 0.00 0.00 0.00 179.25 179.76 1n23 h ALA 562 N 1.26 0.71 0.00 0.00 0.00 -0.63 -3.19 119.26 117.41 1n23 h ALA 562 Ca 0.27 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1n23 h ALA 562 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1n23 h ALA 562 CO -0.06 0.45 -0.49 -0.91 0.00 0.00 0.00 179.25 178.24 1n23 h ASN 563 N 0.77 0.00 -0.76 0.00 4.21 -0.89 -3.30 115.58 115.62 1n23 h ASN 563 Ca 0.16 0.00 0.07 0.00 1.21 0.00 0.00 56.30 57.75 1n23 h ASN 563 Cb 0.40 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.55 1n23 h ASN 563 CO 0.01 0.49 0.50 -0.29 -1.29 0.00 0.00 177.43 176.85 1n23 h ILE 564 N 0.00 1.01 -0.02 2.81 2.10 -1.20 -0.91 117.51 121.30 1n23 h ILE 564 Ca -0.00 -0.27 -0.23 0.00 1.08 0.00 0.00 64.86 65.44 1n23 h ILE 564 Cb 1.02 0.16 0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1n23 h ILE 564 CO 0.06 0.14 -0.94 1.23 -1.08 0.00 0.00 178.15 177.57 1n23 h GLY 565 N 0.78 0.56 0.61 8.18 0.00 -1.72 -3.19 103.07 108.30 1n23 h GLY 565 Ca 0.33 -0.96 0.08 0.00 0.00 0.00 0.00 47.33 46.79 1n23 h GLY 565 CO -0.12 0.85 0.47 3.21 0.00 0.00 0.00 176.54 180.95 1n23 h ARG 566 N 0.30 0.79 -0.79 4.80 3.08 -1.29 -1.11 114.38 120.17 1n23 h ARG 566 Ca -0.09 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1n23 h ARG 566 Cb 1.57 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 31.39 1n23 h ARG 566 CO 0.17 0.52 0.49 0.28 -1.07 0.00 0.00 179.97 180.37 1n23 h VAL 567 N 0.82 1.09 -0.68 2.04 2.07 -1.31 -1.34 116.25 118.94 1n23 h VAL 567 Ca 0.37 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1n23 h VAL 567 Cb 0.28 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1n23 h VAL 567 CO -0.21 0.17 0.34 0.00 0.02 0.00 0.00 177.57 177.89 1n23 h ALA 568 N 1.34 0.87 -0.87 1.67 0.00 -1.24 0.26 119.26 121.30 1n23 h ALA 568 Ca 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1n23 h ALA 568 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1n23 h ALA 568 CO -0.13 0.41 0.52 1.96 0.00 0.00 0.00 179.25 182.01 1n23 h GLN 569 N 0.93 1.18 -0.00 0.00 4.20 -0.48 -0.31 115.11 120.63 1n23 h GLN 569 Ca 0.23 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1n23 h GLN 569 Cb 0.09 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.62 1n23 h GLN 569 CO -0.03 0.83 -0.00 0.35 -0.67 0.00 0.00 178.83 179.30 1n23 h PHE 570 N 1.20 0.00 0.00 2.96 3.57 -0.76 -2.90 116.94 121.00 1n23 h PHE 570 Ca 0.31 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1n23 h PHE 570 Cb -0.04 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1n23 h PHE 570 CO 0.01 0.63 0.00 0.97 -2.23 0.00 0.00 178.31 177.69 1n23 h ILE 571 N -0.63 0.00 -0.26 1.41 2.10 -0.38 -2.97 117.51 116.78 1n23 h ILE 571 Ca -0.00 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1n23 h ILE 571 Cb 0.63 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1n23 h ILE 571 CO 0.00 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.85 1n23 n TYR 572 N -2.74 0.60 0.05 2.19 0.53 -0.14 -2.46 117.16 115.19 1n23 n TYR 572 Ca 0.02 -0.69 0.05 0.00 -1.02 0.00 0.00 57.90 56.26 1n23 n TYR 572 Cb 0.31 -0.15 0.47 0.00 -1.03 0.00 0.00 39.34 38.93 1n23 n TYR 572 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1n23 h LEU 573 N 1.65 0.38 -5.26 7.72 5.85 -1.34 -3.30 115.31 121.02 1n23 h LEU 573 Ca 0.00 -0.01 -0.41 0.00 0.84 0.00 0.00 57.88 58.30 1n23 h LEU 573 Cb 1.02 -0.10 -0.40 0.00 0.37 0.00 0.00 40.66 41.56 1n23 h LEU 573 CO 0.09 0.28 -1.16 1.41 -0.34 0.00 0.00 178.44 178.72 1n23 n HIS 574 N -4.49 1.09 0.00 1.25 8.25 -1.26 -5.09 115.22 114.97 1n23 n HIS 574 Ca 0.02 -3.13 0.00 0.00 -0.26 0.00 0.00 57.72 54.34 1n23 n HIS 574 Cb 0.06 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1n23 n HIS 574 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n23 n GLY 575 N 0.01 -0.54 3.46 -1.41 0.00 -1.24 -4.83 105.19 100.64 1n23 n GLY 575 Ca 0.16 -2.19 -0.44 0.00 0.00 0.00 0.00 46.02 43.55 1n23 n GLY 575 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n23 s ASP 576 N -4.00 7.02 0.00 1.61 2.15 -1.09 -4.23 116.67 118.14 1n23 s ASP 576 Ca 0.00 -2.89 0.12 0.00 0.43 0.00 0.00 52.55 50.21 1n23 s ASP 576 Cb 0.00 -2.40 0.54 0.00 -0.30 0.00 0.00 42.92 40.76 1n23 s ASP 576 CO 0.00 -0.78 1.38 0.61 -0.17 0.00 0.00 175.17 176.21 1n23 n GLY 577 N 4.25 -0.89 0.13 2.66 0.00 -1.03 -1.24 105.19 109.09 1n23 n GLY 577 Ca 0.35 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 46.06 1n23 n GLY 577 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n23 n PHE 578 N -1.46 0.21 0.00 1.61 7.35 -1.26 -3.97 117.46 119.93 1n23 n PHE 578 Ca 0.03 0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1n23 n PHE 578 Cb 0.14 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 38.94 1n23 n PHE 578 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1n23 n GLY 579 N 1.50 0.40 0.43 7.13 0.00 -1.22 -4.45 105.19 108.97 1n23 n GLY 579 Ca -0.49 0.00 0.24 0.00 0.00 0.00 0.00 46.02 45.77 1n23 n GLY 579 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n23 h VAL 580 N 0.00 0.59 -1.28 1.61 2.07 -1.91 -2.72 116.25 114.61 1n23 h VAL 580 Ca 0.00 -0.09 -0.58 0.00 0.82 0.00 0.00 66.70 66.86 1n23 h VAL 580 Cb 0.00 0.31 -0.42 0.00 -1.52 0.00 0.00 31.29 29.66 1n23 h VAL 580 CO 0.00 0.05 -0.76 0.00 0.02 0.00 0.00 177.57 176.88 1n23 n GLN 581 N -4.44 3.48 0.00 1.57 6.02 -0.37 -4.78 117.38 118.86 1n23 n GLN 581 Ca 0.21 -4.40 0.08 0.00 -0.01 0.00 0.00 57.00 52.87 1n23 n GLN 581 Cb 0.85 -2.25 0.40 0.00 1.02 0.00 0.00 30.24 30.25 1n23 n GLN 581 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1n23 n HIS 582 N -0.55 0.00 0.28 1.08 1.44 -1.03 -2.10 115.22 114.35 1n23 n HIS 582 Ca 0.40 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 56.28 1n23 n HIS 582 Cb 0.75 -0.34 0.62 0.00 0.12 0.00 0.00 29.99 31.15 1n23 n HIS 582 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1n23 h SER 583 N 0.00 0.00 1.57 4.39 4.64 -1.86 -2.32 113.55 119.97 1n23 h SER 583 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1n23 h SER 583 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1n23 h SER 583 CO 0.00 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.07 1n23 h LYS 584 N 0.00 0.00 0.00 4.77 1.57 -1.74 -3.19 116.57 117.97 1n23 h LYS 584 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n23 h LYS 584 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1n23 h LYS 584 CO 0.00 0.00 -0.99 2.41 -0.57 0.00 0.00 179.45 180.30 1n23 n THR 585 N -2.52 0.00 -0.05 -0.16 -1.04 -0.90 -4.66 114.28 104.94 1n23 n THR 585 Ca 0.05 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.05 61.79 1n23 n THR 585 Cb 0.44 0.86 -0.09 0.00 -1.82 0.00 0.00 70.33 69.72 1n23 n THR 585 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1n23 h TYR 586 N 0.00 -1.54 -0.34 -1.42 3.20 -1.47 -0.10 116.97 115.29 1n23 h TYR 586 Ca 0.00 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1n23 h TYR 586 Cb 0.48 0.70 -0.05 0.00 1.54 0.00 0.00 36.73 39.40 1n23 h TYR 586 CO 0.00 -0.49 0.02 0.93 -1.64 0.00 0.00 178.16 176.98 1n23 h GLU 587 N -0.48 0.11 -0.27 1.82 4.39 -1.83 0.21 114.58 118.53 1n23 h GLU 587 Ca 0.04 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1n23 h GLU 587 Cb 0.61 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1n23 h GLU 587 CO -0.46 0.08 0.14 1.25 -1.16 0.00 0.00 179.01 178.86 1n23 h HIS 588 N 0.12 0.27 -0.57 4.33 2.76 -1.79 0.12 115.15 120.39 1n23 h HIS 588 Ca 0.16 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1n23 h HIS 588 Cb 0.21 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1n23 h HIS 588 CO -0.22 0.16 0.15 0.82 -1.30 0.00 0.00 177.93 177.53 1n23 h ILE 589 N 0.30 1.25 -0.76 6.26 2.04 -0.59 -1.62 117.51 124.38 1n23 h ILE 589 Ca 0.11 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1n23 h ILE 589 Cb 0.01 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1n23 h ILE 589 CO -0.06 0.32 0.33 0.00 0.00 0.00 0.00 178.15 178.74 1n23 h ALA 590 N 1.03 1.14 -0.07 1.87 0.00 -0.28 0.11 119.26 123.07 1n23 h ALA 590 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1n23 h ALA 590 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n23 h ALA 590 CO 0.00 0.63 -0.27 0.78 0.00 0.00 0.00 179.25 180.39 1n23 h GLY 591 N 1.13 0.13 0.88 0.00 0.00 -0.37 -0.62 103.07 104.23 1n23 h GLY 591 Ca 0.26 -0.09 -0.32 0.00 0.00 0.00 0.00 47.33 47.17 1n23 h GLY 591 CO -0.03 0.09 -1.79 -2.00 0.00 0.00 0.00 176.54 172.81 1n23 h LEU 592 N 0.11 0.24 0.00 3.11 5.85 -0.81 -3.38 115.31 120.43 1n23 h LEU 592 Ca 0.02 -0.49 -0.31 0.00 0.84 0.00 0.00 57.88 57.93 1n23 h LEU 592 Cb 0.53 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1n23 h LEU 592 CO 0.04 1.44 -2.19 0.18 -0.34 0.00 0.00 178.44 177.57 1n23 n LEU 593 N -3.30 1.70 -0.24 2.25 4.77 -0.02 -4.78 117.00 117.39 1n23 n LEU 593 Ca -0.23 -0.07 0.06 0.00 -0.03 0.00 0.00 56.01 55.74 1n23 n LEU 593 Cb 1.05 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 1n23 n LEU 593 CO 0.45 0.67 0.20 0.49 -1.33 0.00 0.00 177.39 177.87 1n23 n PHE 594 N -2.91 0.00 -4.06 -1.77 0.99 -0.33 -4.80 117.46 104.58 1n23 n PHE 594 Ca -0.33 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 56.79 1n23 n PHE 594 Cb 0.96 0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 39.29 1n23 n PHE 594 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1n23 s GLU 595 N -1.58 2.56 0.74 -1.08 2.02 -0.63 -5.01 118.70 115.72 1n23 s GLU 595 Ca 0.09 -1.13 -0.15 0.00 0.02 0.00 0.00 54.97 53.80 1n23 s GLU 595 Cb 0.09 -2.82 0.04 0.00 0.10 0.00 0.00 34.13 31.55 1n23 s GLU 595 CO 0.32 -0.44 1.22 -2.14 0.02 0.00 0.00 175.26 174.24 1n23 s PRO 596 N 1.20 2.05 -0.38 0.39 0.02 -1.26 -4.76 135.00 132.26 1n23 s PRO 596 Ca -0.03 1.81 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 1n23 s PRO 596 Cb -0.17 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.54 1n23 s PRO 596 CO -0.07 -1.92 0.88 -0.47 -0.33 0.00 0.00 177.00 175.09 1n23 s TYR 597 N -1.94 3.08 -2.08 6.54 5.04 -1.26 -5.12 117.35 121.62 1n23 s TYR 597 Ca 0.75 0.66 0.31 0.00 -2.44 0.00 0.00 57.07 56.36 1n23 s TYR 597 Cb -0.30 -3.59 1.78 0.00 0.35 0.00 0.00 41.96 40.19 1n23 s TYR 597 CO 0.46 -0.82 2.16 0.00 -1.34 0.00 0.00 175.55 176.01