#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pua s ASP 50 N 0.00 4.30 -0.41 1.96 1.01 -0.50 -4.96 116.67 118.07 1pua s ASP 50 Ca 0.00 -0.50 0.02 0.00 0.71 0.00 0.00 52.55 52.78 1pua s ASP 50 Cb 0.00 -0.76 0.12 0.00 1.01 0.00 0.00 42.92 43.29 1pua s ASP 50 CO 0.00 0.13 0.18 -0.36 0.21 0.00 0.00 175.17 175.34 1pua s PHE 51 N -1.48 2.42 0.07 4.23 0.40 -1.26 -0.22 117.98 122.14 1pua s PHE 51 Ca 0.23 -2.50 0.04 0.00 -0.60 0.00 0.00 56.93 54.10 1pua s PHE 51 Cb -0.10 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.21 1pua s PHE 51 CO 0.14 -0.82 -0.00 -0.51 0.70 0.00 0.00 175.22 174.73 1pua s ASP 52 N 0.60 5.02 -0.01 1.36 1.01 -1.02 -4.89 116.67 118.74 1pua s ASP 52 Ca 0.15 -0.15 -0.22 0.00 0.71 0.00 0.00 52.55 53.03 1pua s ASP 52 Cb -0.22 -1.21 -0.05 0.00 1.01 0.00 0.00 42.92 42.45 1pua s ASP 52 CO -0.07 0.20 0.66 -0.63 0.21 0.00 0.00 175.17 175.55 1pua s ILE 53 N -1.26 4.90 -0.03 0.77 -1.09 -1.26 -0.91 121.20 122.32 1pua s ILE 53 Ca 0.24 1.39 0.04 0.00 -2.23 0.00 0.00 60.65 60.09 1pua s ILE 53 Cb -0.12 -4.00 -0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1pua s ILE 53 CO 0.16 0.36 -0.15 -0.22 -1.23 0.00 0.00 174.94 173.86 1pua s LEU 54 N 0.11 1.93 0.05 2.97 2.96 0.27 -4.98 118.68 121.98 1pua s LEU 54 Ca 0.34 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1pua s LEU 54 Cb -0.19 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 1pua s LEU 54 CO 0.19 0.15 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.46 1pua s THR 55 N -0.07 0.19 -0.77 3.68 2.01 -1.26 -1.56 115.64 117.86 1pua s THR 55 Ca -0.00 -1.58 -0.25 0.00 0.31 0.00 0.00 61.69 60.16 1pua s THR 55 Cb -0.09 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 1pua s THR 55 CO 0.01 -0.87 1.92 0.21 -0.69 0.00 0.00 174.62 175.20 1pua s ASN 56 N -2.61 5.17 0.00 3.53 3.04 -1.26 -4.68 114.94 118.13 1pua s ASN 56 Ca 0.02 -0.21 0.11 0.00 0.04 0.00 0.00 52.86 52.82 1pua s ASN 56 Cb 0.04 -2.55 0.11 0.00 -1.54 0.00 0.00 41.25 37.32 1pua s ASN 56 CO -0.08 -2.61 0.89 -0.90 -3.04 0.00 0.00 177.10 171.36 1pua n ASP 57 N 13.56 2.03 0.00 -4.21 5.75 -1.26 -5.00 116.55 127.42 1pua n ASP 57 Ca 0.32 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1pua n ASP 57 Cb 0.49 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1pua n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pua n GLY 58 N 0.62 0.55 3.89 6.12 0.00 -1.26 -5.05 105.19 110.05 1pua n GLY 58 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1pua n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pua s THR 59 N -2.28 4.81 0.17 2.61 -4.23 -1.26 -4.98 115.64 110.49 1pua s THR 59 Ca 0.00 0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 60.96 1pua s THR 59 Cb 0.00 -3.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.02 1pua s THR 59 CO 0.00 -0.78 1.54 0.45 -0.54 0.00 0.00 174.62 175.29 1pua h HIS 60 N 0.53 1.02 0.78 3.99 3.86 -1.98 -2.25 115.15 121.10 1pua h HIS 60 Ca -0.46 -0.28 -0.04 0.00 -1.16 0.00 0.00 60.37 58.43 1pua h HIS 60 Cb 1.19 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 29.45 1pua h HIS 60 CO 0.61 1.07 -0.38 -0.09 0.86 0.00 0.00 177.93 180.00 1pua h ARG 61 N 0.73 -1.02 -0.36 2.45 2.43 -2.00 -1.64 114.38 114.97 1pua h ARG 61 Ca 0.08 0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1pua h ARG 61 Cb 0.89 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 1pua h ARG 61 CO 0.08 -0.66 -0.07 -0.91 -1.51 0.00 0.00 179.97 176.90 1pua h ASN 62 N -1.17 0.57 -0.23 -3.80 -0.26 -1.94 -2.71 115.58 106.03 1pua h ASN 62 Ca -0.11 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.47 1pua h ASN 62 Cb 0.82 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.92 1pua h ASN 62 CO 0.18 0.69 0.06 0.24 -1.06 0.00 0.00 177.43 177.53 1pua h MET 63 N 0.55 0.36 -0.63 0.81 2.86 -1.36 -0.21 114.93 117.32 1pua h MET 63 Ca 0.11 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1pua h MET 63 Cb 0.46 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1pua h MET 63 CO 0.02 0.47 0.37 -0.22 1.06 0.00 0.00 176.91 178.61 1pua h LYS 64 N 0.19 0.87 -0.12 1.72 3.64 -1.09 -0.11 116.57 121.66 1pua h LYS 64 Ca 0.07 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1pua h LYS 64 Cb 0.27 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1pua h LYS 64 CO 0.00 0.64 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.28 1pua h LEU 65 N 0.86 0.33 -0.30 5.20 3.38 -1.26 -0.43 115.31 123.09 1pua h LEU 65 Ca 0.23 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 1pua h LEU 65 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1pua h LEU 65 CO -0.04 0.76 -0.87 -0.07 0.09 0.00 0.00 178.44 178.31 1pua h LEU 66 N 0.25 0.24 -0.12 1.67 -0.00 -0.41 -1.51 115.31 115.43 1pua h LEU 66 Ca 0.01 -0.19 -0.23 0.00 -0.00 0.00 0.00 57.88 57.47 1pua h LEU 66 Cb 0.93 -0.07 0.01 0.00 -0.00 0.00 0.00 40.66 41.52 1pua h LEU 66 CO 0.08 0.99 -0.80 0.40 -0.00 0.00 0.00 178.44 179.11 1pua h ILE 67 N 0.10 1.28 -0.62 1.22 2.04 -0.76 -1.11 117.51 119.67 1pua h ILE 67 Ca -0.04 -2.01 -0.04 0.00 1.00 0.00 0.00 64.86 63.77 1pua h ILE 67 Cb 1.49 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 39.61 1pua h ILE 67 CO 0.13 0.63 0.21 0.44 0.00 0.00 0.00 178.15 179.57 1pua h ASP 68 N 0.49 0.84 -0.20 1.72 3.32 -0.96 0.14 116.42 121.78 1pua h ASP 68 Ca -0.07 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 1pua h ASP 68 Cb 1.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1pua h ASP 68 CO 0.16 0.78 -0.46 0.25 -1.72 0.00 0.00 179.24 178.25 1pua h LEU 69 N 0.90 0.75 -0.90 1.55 6.46 -1.15 -1.80 115.31 121.11 1pua h LEU 69 Ca 0.21 -0.56 -0.03 0.00 -0.12 0.00 0.00 57.88 57.37 1pua h LEU 69 Cb 0.22 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 1pua h LEU 69 CO -0.01 1.18 0.38 0.50 -0.62 0.00 0.00 178.44 179.87 1pua h LYS 70 N 0.36 1.17 -0.02 1.25 3.11 -0.59 -0.70 116.57 121.15 1pua h LYS 70 Ca -0.00 -0.17 -0.11 0.00 -2.81 0.00 0.00 60.65 57.56 1pua h LYS 70 Cb 1.07 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 32.08 1pua h LYS 70 CO 0.10 0.91 -0.49 -0.91 -2.81 0.00 0.00 179.45 176.25 1pua h ASN 71 N 1.16 0.04 -0.09 4.20 -0.26 -0.47 -1.36 115.58 118.81 1pua h ASN 71 Ca 0.28 -0.02 -0.23 0.00 -0.56 0.00 0.00 56.30 55.77 1pua h ASN 71 Cb 0.13 -0.01 0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1pua h ASN 71 CO -0.03 0.52 -0.84 0.40 -1.06 0.00 0.00 177.43 176.42 1pua h ILE 72 N 0.03 1.29 -0.59 2.81 2.04 -0.68 -2.62 117.51 119.79 1pua h ILE 72 Ca -0.00 -2.06 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 1pua h ILE 72 Cb 0.87 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1pua h ILE 72 CO 0.07 0.64 0.18 -0.26 0.00 0.00 0.00 178.15 178.78 1pua h PHE 73 N 0.43 0.96 -0.04 1.37 0.05 -0.83 -0.41 116.94 118.47 1pua h PHE 73 Ca -0.08 -0.10 -0.20 0.00 3.82 0.00 0.00 57.97 61.41 1pua h PHE 73 Cb 1.49 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 39.15 1pua h PHE 73 CO 0.10 0.80 -0.81 0.66 -0.18 0.00 0.00 178.31 178.88 1pua h SER 74 N 0.85 0.45 0.89 2.17 4.64 -1.27 0.31 113.55 121.59 1pua h SER 74 Ca 0.19 -0.32 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 1pua h SER 74 Cb 0.30 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1pua h SER 74 CO -0.00 1.09 -0.68 -0.09 -0.87 0.00 0.00 176.83 176.27 1pua h ARG 75 N 0.23 0.00 -0.01 4.77 9.65 -1.30 -3.16 114.38 124.56 1pua h ARG 75 Ca -0.05 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1pua h ARG 75 Cb 1.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.99 1pua h ARG 75 CO 0.14 0.68 -0.77 1.04 2.80 0.00 0.00 179.97 183.86 1pua n GLN 76 N -3.54 0.58 -3.32 0.20 1.13 -0.18 -4.45 117.38 107.80 1pua n GLN 76 Ca -0.00 -0.43 -0.25 0.00 -1.94 0.00 0.00 57.00 54.37 1pua n GLN 76 Cb 0.71 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 29.50 1pua n GLN 76 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1pua n LEU 77 N -0.85 0.59 0.00 1.08 4.77 0.09 -4.99 117.00 117.69 1pua n LEU 77 Ca 0.06 -4.72 0.08 0.00 -0.03 0.00 0.00 56.01 51.40 1pua n LEU 77 Cb 0.39 0.37 0.44 0.00 -2.33 0.00 0.00 43.42 42.29 1pua n LEU 77 CO 0.36 1.99 0.74 -0.81 -1.33 0.00 0.00 177.39 178.34 1pua n PRO 78 N 1.79 0.30 0.07 3.23 -0.04 -1.20 -2.13 135.00 137.02 1pua n PRO 78 Ca 0.25 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 1pua n PRO 78 Cb 0.49 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.60 1pua n PRO 78 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1pua h LYS 79 N 0.00 0.00 -6.27 0.54 1.57 -1.94 -3.45 116.57 107.01 1pua h LYS 79 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1pua h LYS 79 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1pua h LYS 79 CO 0.00 0.00 0.06 1.41 -0.57 0.00 0.00 179.45 180.35 1pua s MET 80 N -3.19 4.37 0.11 3.15 1.75 -0.91 -5.02 119.30 119.56 1pua s MET 80 Ca 0.05 0.90 -0.31 0.00 -1.25 0.00 0.00 55.69 55.09 1pua s MET 80 Cb 0.12 -3.29 -0.07 0.00 2.84 0.00 0.00 34.83 34.43 1pua s MET 80 CO 0.72 0.49 1.28 -2.14 -0.65 0.00 0.00 175.02 174.72 1pua s PRO 81 N -0.68 4.40 0.40 4.11 0.02 -1.26 -4.90 135.00 137.08 1pua s PRO 81 Ca 0.33 1.92 0.11 0.00 0.02 0.00 0.00 61.00 63.38 1pua s PRO 81 Cb -0.20 -3.28 0.83 0.00 0.02 0.00 0.00 34.50 31.87 1pua s PRO 81 CO 0.21 -0.30 1.93 -0.22 -0.33 0.00 0.00 177.00 178.30 1pua h LYS 82 N 6.43 0.18 0.00 5.54 3.64 -1.95 -1.91 116.57 128.51 1pua h LYS 82 Ca -0.42 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 1pua h LYS 82 Cb 1.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1pua h LYS 82 CO 0.82 0.33 -0.23 1.05 -2.27 0.00 0.00 179.45 179.15 1pua h GLU 83 N 0.18 0.00 0.09 1.90 9.09 -2.00 -2.10 114.58 121.73 1pua h GLU 83 Ca 0.04 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.19 1pua h GLU 83 Cb 0.37 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.46 1pua h GLU 83 CO 0.02 0.23 -1.14 -0.92 0.05 0.00 0.00 179.01 177.25 1pua h TYR 84 N 0.00 0.43 -0.21 2.06 3.20 -1.74 -2.42 116.97 118.29 1pua h TYR 84 Ca -0.00 -0.30 -0.06 0.00 3.14 0.00 0.00 58.73 61.51 1pua h TYR 84 Cb 0.80 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1pua h TYR 84 CO 0.00 1.20 -0.09 0.82 -1.64 0.00 0.00 178.16 178.46 1pua h ILE 85 N 0.09 1.30 -0.38 1.81 2.04 -1.23 -2.41 117.51 118.73 1pua h ILE 85 Ca -0.10 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 64.65 1pua h ILE 85 Cb 1.86 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.50 1pua h ILE 85 CO 0.18 0.34 0.21 0.58 0.00 0.00 0.00 178.15 179.47 1pua h VAL 86 N 0.15 1.02 -0.58 1.67 2.07 -1.40 -0.30 116.25 118.88 1pua h VAL 86 Ca 0.05 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1pua h VAL 86 Cb 0.57 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1pua h VAL 86 CO 0.03 0.08 0.13 0.50 0.02 0.00 0.00 177.57 178.32 1pua h LYS 87 N 0.43 0.90 0.16 1.57 3.11 -1.37 -1.29 116.57 120.08 1pua h LYS 87 Ca 0.15 -0.20 -0.27 0.00 -2.81 0.00 0.00 60.65 57.52 1pua h LYS 87 Cb 0.03 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.14 1pua h LYS 87 CO -0.08 0.82 -1.30 -0.07 -2.81 0.00 0.00 179.45 176.00 1pua h LEU 88 N 0.86 0.52 -1.05 5.20 3.38 -1.00 -2.74 115.31 120.48 1pua h LEU 88 Ca 0.18 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 57.25 1pua h LEU 88 Cb 0.33 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1pua h LEU 88 CO 0.00 1.60 0.55 0.58 0.09 0.00 0.00 178.44 181.25 1pua h VAL 89 N -0.19 1.24 -0.62 1.22 2.07 -0.98 -1.85 116.25 117.14 1pua h VAL 89 Ca -0.26 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1pua h VAL 89 Cb 1.85 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1pua h VAL 89 CO 0.14 0.25 0.00 0.49 0.02 0.00 0.00 177.57 178.47 1pua n PHE 90 N -4.37 1.62 -2.85 1.57 3.01 -0.49 -4.80 117.46 111.16 1pua n PHE 90 Ca 0.10 -0.65 -0.37 0.00 1.01 0.00 0.00 57.45 57.54 1pua n PHE 90 Cb 0.05 -0.31 -0.06 0.00 -0.01 0.00 0.00 39.48 39.14 1pua n PHE 90 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1pua s ASP 91 N -0.91 7.26 0.20 4.37 2.15 -0.70 -4.93 116.67 124.12 1pua s ASP 91 Ca 0.52 1.75 0.23 0.00 0.43 0.00 0.00 52.55 55.47 1pua s ASP 91 Cb 0.35 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 41.34 1pua s ASP 91 CO 0.22 -0.06 1.70 -1.14 -0.17 0.00 0.00 175.17 175.72 1pua n ARG 92 N 0.54 0.17 0.00 4.34 0.00 -1.26 -1.79 116.66 118.66 1pua n ARG 92 Ca 0.01 0.34 0.12 0.00 -0.00 0.00 0.00 57.85 58.33 1pua n ARG 92 Cb 0.50 -1.79 0.22 0.00 0.00 0.00 0.00 32.46 31.39 1pua n ARG 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1pua n HIS 93 N -2.11 0.00 -4.13 -0.14 8.25 -1.26 -4.89 115.22 110.94 1pua n HIS 93 Ca 0.03 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.19 1pua n HIS 93 Cb 0.26 -0.14 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 1pua n HIS 93 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1pua s HIS 94 N -2.75 3.00 0.18 4.41 3.76 -0.74 -4.29 115.29 118.86 1pua s HIS 94 Ca 0.17 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 1pua s HIS 94 Cb 0.18 -1.53 -0.05 0.00 1.11 0.00 0.00 32.58 32.29 1pua s HIS 94 CO 0.64 0.48 -0.06 -1.21 -0.85 0.00 0.00 174.74 173.75 1pua s GLU 95 N -2.36 1.17 -0.01 1.40 2.02 -0.54 -4.76 118.70 115.62 1pua s GLU 95 Ca 0.26 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1pua s GLU 95 Cb -0.12 -0.59 0.01 0.00 0.10 0.00 0.00 34.13 33.53 1pua s GLU 95 CO 0.19 -0.01 -0.00 -1.12 0.02 0.00 0.00 175.26 174.34 1pua s SER 96 N -3.22 0.11 -0.20 -0.19 0.01 -0.60 -1.37 113.70 108.24 1pua s SER 96 Ca 0.22 -0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.42 1pua s SER 96 Cb 0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 1pua s SER 96 CO 0.04 -0.02 -0.00 -0.32 0.41 0.00 0.00 173.24 173.35 1pua s MET 97 N 0.22 3.63 0.23 12.44 1.75 -0.47 0.93 119.30 138.03 1pua s MET 97 Ca -0.02 -0.52 0.09 0.00 -1.25 0.00 0.00 55.69 53.99 1pua s MET 97 Cb -0.03 -3.07 -0.04 0.00 2.84 0.00 0.00 34.83 34.53 1pua s MET 97 CO -0.01 0.04 0.00 0.14 -0.65 0.00 0.00 175.02 174.54 1pua s VAL 98 N 0.93 3.58 -0.33 10.11 -7.23 -0.09 -1.23 120.40 126.15 1pua s VAL 98 Ca 0.01 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 1pua s VAL 98 Cb -0.14 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1pua s VAL 98 CO 0.02 -0.27 0.17 -0.63 -0.31 0.00 0.00 175.10 174.08 1pua s ILE 99 N -2.06 4.58 -0.15 -0.62 1.01 -0.27 -2.44 121.20 121.25 1pua s ILE 99 Ca 0.30 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1pua s ILE 99 Cb -0.08 -3.40 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1pua s ILE 99 CO 0.19 -0.02 -0.00 -0.22 0.00 0.00 0.00 174.94 174.89 1pua s LEU 100 N 1.59 3.46 -0.12 2.97 2.96 0.70 -2.17 118.68 128.07 1pua s LEU 100 Ca 0.04 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1pua s LEU 100 Cb -0.18 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1pua s LEU 100 CO 0.06 0.20 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.40 1pua s LYS 101 N 0.19 3.29 -2.08 1.98 2.20 0.10 -1.41 119.74 124.00 1pua s LYS 101 Ca 0.00 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1pua s LYS 101 Cb -0.13 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1pua s LYS 101 CO 0.02 0.25 0.00 0.09 -0.36 0.00 0.00 175.35 175.35 1pua n ASN 102 N 3.42 -5.49 -2.73 1.43 3.02 -1.26 -0.82 115.26 112.82 1pua n ASN 102 Ca -0.18 0.42 -0.21 0.00 -0.03 0.00 0.00 54.58 54.57 1pua n ASN 102 Cb 0.53 -4.73 0.01 0.00 -0.61 0.00 0.00 39.78 34.98 1pua n ASN 102 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pua n LYS 103 N -2.50 -3.30 0.00 3.52 5.02 -1.26 -4.69 118.16 114.94 1pua n LYS 103 Ca -0.21 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1pua n LYS 103 Cb 0.67 -5.68 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1pua n LYS 103 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pua n GLN 104 N -3.52 0.02 -3.90 1.97 10.64 -0.97 -5.10 117.38 116.52 1pua n GLN 104 Ca -0.17 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.64 1pua n GLN 104 Cb 0.65 -0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.91 1pua n GLN 104 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1pua s LYS 105 N -0.45 3.75 -0.10 2.61 2.20 0.00 -4.95 119.74 122.80 1pua s LYS 105 Ca 0.00 -0.44 -0.20 0.00 -0.36 0.00 0.00 55.97 54.96 1pua s LYS 105 Cb 0.00 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 1pua s LYS 105 CO 0.00 -0.01 0.57 0.08 -0.36 0.00 0.00 175.35 175.63 1pua s VAL 106 N 1.13 5.12 0.00 4.02 1.01 -1.26 0.00 120.40 130.43 1pua s VAL 106 Ca 0.04 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1pua s VAL 106 Cb -0.14 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1pua s VAL 106 CO 0.03 0.28 0.19 2.30 0.00 0.00 0.00 175.10 177.90 1pua n ILE 107 N 3.77 0.00 -3.81 2.22 -5.35 -0.92 -4.95 119.36 110.32 1pua n ILE 107 Ca -0.04 -0.43 0.04 0.00 -0.27 0.00 0.00 62.75 62.05 1pua n ILE 107 Cb 0.51 1.07 0.01 0.00 -1.74 0.00 0.00 39.64 39.48 1pua n ILE 107 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pua s GLY 108 N -0.47 -0.35 0.00 3.28 0.00 -1.25 0.36 107.32 108.88 1pua s GLY 108 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1pua s GLY 108 CO 0.00 3.77 0.00 0.61 0.00 0.00 0.00 173.10 177.48 1pua n GLY 109 N -0.76 0.56 2.84 0.20 0.00 -0.30 -1.11 105.19 106.63 1pua n GLY 109 Ca -0.01 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 1pua n GLY 109 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pua s ILE 110 N -2.00 0.43 -0.18 -0.61 2.07 -0.36 -2.11 121.20 118.44 1pua s ILE 110 Ca 0.00 -0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.15 1pua s ILE 110 Cb 0.00 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 1pua s ILE 110 CO 0.00 0.22 0.07 0.00 -1.91 0.00 0.00 174.94 173.32 1pua s PHE 112 N 0.23 0.68 -0.02 0.00 -0.12 -0.47 0.60 117.98 118.89 1pua s PHE 112 Ca 0.04 -0.99 0.00 0.00 -0.05 0.00 0.00 56.93 55.94 1pua s PHE 112 Cb -0.12 -0.15 0.02 0.00 -0.63 0.00 0.00 43.02 42.13 1pua s PHE 112 CO 0.00 -0.80 0.01 0.50 -0.05 0.00 0.00 175.22 174.88 1pua s ARG 113 N -4.06 0.10 0.06 1.99 3.52 -0.88 -1.46 118.95 118.21 1pua s ARG 113 Ca 0.28 0.09 -0.03 0.00 -0.13 0.00 0.00 55.73 55.93 1pua s ARG 113 Cb 0.03 -0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.10 1pua s ARG 113 CO 0.08 -0.10 0.27 -0.65 -0.81 0.00 0.00 175.30 174.09 1pua s GLN 114 N 0.74 3.53 -0.66 5.12 -0.21 -1.26 -1.66 119.66 125.25 1pua s GLN 114 Ca -0.07 -0.23 0.05 0.00 0.02 0.00 0.00 55.36 55.14 1pua s GLN 114 Cb -0.10 -3.01 0.17 0.00 1.00 0.00 0.00 33.01 31.08 1pua s GLN 114 CO -0.02 0.59 0.47 0.71 -2.12 0.00 0.00 175.29 174.92 1pua s TYR 115 N -1.47 3.27 0.15 0.91 1.51 -0.06 -4.98 117.35 116.68 1pua s TYR 115 Ca 0.34 -3.22 -0.20 0.00 -1.01 0.00 0.00 57.07 52.98 1pua s TYR 115 Cb -0.13 -2.50 0.03 0.00 -0.11 0.00 0.00 41.96 39.25 1pua s TYR 115 CO 0.23 -0.58 1.67 0.87 -1.11 0.00 0.00 175.55 176.62 1pua h LYS 116 N 5.47 -0.09 -0.05 -0.62 1.57 -1.96 0.23 116.57 121.12 1pua h LYS 116 Ca 0.15 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1pua h LYS 116 Cb 0.78 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1pua h LYS 116 CO 0.68 -0.06 -0.39 -1.35 -0.57 0.00 0.00 179.45 177.76 1pua h PRO 117 N -0.10 0.10 0.00 3.15 0.11 -1.95 -2.77 132.00 130.54 1pua h PRO 117 Ca 0.14 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1pua h PRO 117 Cb 0.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1pua h PRO 117 CO -0.33 0.47 -0.07 1.96 -0.21 0.00 0.00 178.00 179.82 1pua h GLN 118 N 0.08 0.00 -4.43 1.05 7.50 -1.88 -3.48 115.11 113.95 1pua h GLN 118 Ca 0.01 0.00 -0.27 0.00 0.50 0.00 0.00 58.65 58.89 1pua h GLN 118 Cb 0.73 0.00 0.10 0.00 0.05 0.00 0.00 27.48 28.36 1pua h GLN 118 CO 0.05 0.00 -0.49 0.54 -1.50 0.00 0.00 178.83 177.43 1pua n ARG 119 N -2.93 -5.37 -4.02 1.46 1.74 0.76 -4.93 116.66 103.37 1pua n ARG 119 Ca 0.04 0.58 -0.08 0.00 -0.77 0.00 0.00 57.85 57.63 1pua n ARG 119 Cb 0.51 -4.87 -0.10 0.00 -1.02 0.00 0.00 32.46 26.99 1pua n ARG 119 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1pua s PHE 120 N -3.23 0.39 0.00 -1.55 -0.12 -1.10 -0.53 117.98 111.85 1pua s PHE 120 Ca 0.31 -0.87 0.01 0.00 -0.05 0.00 0.00 56.93 56.33 1pua s PHE 120 Cb -0.14 -0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 41.96 1pua s PHE 120 CO 0.51 -0.39 -0.03 0.00 -0.05 0.00 0.00 175.22 175.27 1pua s ALA 121 N -3.52 0.20 -0.12 1.99 0.00 -0.47 -0.88 121.76 118.96 1pua s ALA 121 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 1pua s ALA 121 Cb 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1pua s ALA 121 CO -0.09 0.02 -0.06 -2.00 0.00 0.00 0.00 175.76 173.63 1pua s GLU 122 N -0.26 3.29 -0.06 0.00 2.12 -0.66 -0.75 118.70 122.37 1pua s GLU 122 Ca -0.01 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 1pua s GLU 122 Cb -0.02 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 1pua s GLU 122 CO -0.00 0.40 0.98 0.08 -0.54 0.00 0.00 175.26 176.17 1pua s VAL 123 N -0.08 4.83 -0.07 3.70 1.01 -0.33 -2.08 120.40 127.38 1pua s VAL 123 Ca 0.01 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.97 1pua s VAL 123 Cb -0.13 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1pua s VAL 123 CO 0.03 0.08 -0.06 0.00 0.00 0.00 0.00 175.10 175.14 1pua h ALA 124 N 6.98 0.00 -2.56 5.51 0.00 -0.18 -3.43 119.26 125.58 1pua h ALA 124 Ca -0.35 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.16 1pua h ALA 124 Cb 1.18 0.17 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 1pua h ALA 124 CO 0.81 0.17 -0.69 -0.06 0.00 0.00 0.00 179.25 179.48 1pua s PHE 125 N -1.53 0.44 -0.14 0.00 0.40 -1.03 -4.98 117.98 111.14 1pua s PHE 125 Ca -0.05 -0.84 -0.11 0.00 -0.60 0.00 0.00 56.93 55.34 1pua s PHE 125 Cb 0.01 -0.32 0.04 0.00 0.51 0.00 0.00 43.02 43.26 1pua s PHE 125 CO 0.07 -0.29 0.35 -1.17 0.70 0.00 0.00 175.22 174.89 1pua s LEU 126 N -2.31 0.43 -0.10 -0.37 2.96 -1.26 -0.77 118.68 117.26 1pua s LEU 126 Ca -0.02 0.73 -0.31 0.00 -0.22 0.00 0.00 54.13 54.31 1pua s LEU 126 Cb 0.00 1.18 0.12 0.00 0.50 0.00 0.00 46.19 47.99 1pua s LEU 126 CO -0.06 -0.15 1.02 0.00 -1.32 0.00 0.00 176.35 175.85 1pua s ALA 127 N 0.64 -1.93 -0.01 5.97 0.00 -0.90 -5.03 121.76 120.50 1pua s ALA 127 Ca -0.04 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.29 1pua s ALA 127 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1pua s ALA 127 CO -0.04 -0.57 -0.10 0.08 0.00 0.00 0.00 175.76 175.13 1pua s VAL 128 N -2.44 0.77 0.48 0.00 1.01 -1.26 -1.15 120.40 117.82 1pua s VAL 128 Ca 0.05 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 1pua s VAL 128 Cb -0.01 -0.65 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1pua s VAL 128 CO -0.06 0.22 1.27 0.28 0.00 0.00 0.00 175.10 176.82 1pua s THR 129 N -0.21 2.60 0.22 3.92 -1.32 0.16 -4.81 115.64 116.20 1pua s THR 129 Ca 0.03 0.47 -0.12 0.00 -1.21 0.00 0.00 61.69 60.87 1pua s THR 129 Cb -0.04 -3.25 0.25 0.00 -1.51 0.00 0.00 72.50 67.95 1pua s THR 129 CO -0.00 0.01 1.63 0.00 -2.21 0.00 0.00 174.62 174.05 1pua h ALA 130 N 1.98 0.51 0.00 11.08 0.00 -1.96 -0.53 119.26 130.34 1pua h ALA 130 Ca -0.50 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pua h ALA 130 Cb 1.27 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1pua h ALA 130 CO 0.60 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 179.70 1pua n ASN 131 N -5.41 0.00 0.00 0.00 6.94 -1.26 -2.40 115.26 113.13 1pua n ASN 131 Ca 0.09 -1.08 0.00 0.00 -0.02 0.00 0.00 54.58 53.57 1pua n ASN 131 Cb 0.37 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 1pua n ASN 131 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1pua n GLU 132 N -0.71 0.76 -1.74 -3.83 -0.58 -0.23 -5.08 120.64 109.23 1pua n GLU 132 Ca 0.07 -0.71 -0.30 0.00 -0.42 0.00 0.00 57.16 55.80 1pua n GLU 132 Cb 0.03 -0.67 0.07 0.00 -0.57 0.00 0.00 31.44 30.30 1pua n GLU 132 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1pua s GLN 133 N -0.28 2.47 -1.45 3.49 -0.21 -1.01 -3.98 119.66 118.69 1pua s GLN 133 Ca 0.00 0.52 -0.10 0.00 0.02 0.00 0.00 55.36 55.80 1pua s GLN 133 Cb 0.00 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 32.08 1pua s GLN 133 CO 0.00 -1.33 0.96 0.28 -2.12 0.00 0.00 175.29 173.08 1pua n VAL 134 N -3.21 -2.31 -0.66 1.09 0.31 -1.26 -4.86 118.33 107.43 1pua n VAL 134 Ca 0.07 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.43 1pua n VAL 134 Cb 0.57 -3.32 0.04 0.00 -0.91 0.00 0.00 33.84 30.22 1pua n VAL 134 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pua n ARG 135 N -4.63 1.75 -1.05 5.55 1.74 -1.26 -4.99 116.66 113.78 1pua n ARG 135 Ca -0.00 -1.62 -0.02 0.00 -0.77 0.00 0.00 57.85 55.45 1pua n ARG 135 Cb 0.56 -1.02 -0.01 0.00 -1.02 0.00 0.00 32.46 30.97 1pua n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pua n GLY 136 N -0.65 0.47 0.23 -0.13 0.00 -1.26 -4.93 105.19 98.92 1pua n GLY 136 Ca 0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1pua n GLY 136 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1pua h TYR 137 N 0.00 1.02 -0.30 1.61 0.99 -1.94 -2.73 116.97 115.62 1pua h TYR 137 Ca -0.03 -0.41 -0.00 0.00 2.00 0.00 0.00 58.73 60.28 1pua h TYR 137 Cb 0.37 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.91 1pua h TYR 137 CO 0.21 1.23 0.18 0.78 -0.00 0.00 0.00 178.16 180.56 1pua h GLY 138 N 0.70 0.42 0.98 3.88 0.00 -1.93 0.43 103.07 107.57 1pua h GLY 138 Ca -0.02 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 46.84 1pua h GLY 138 CO 0.14 0.16 -1.38 -0.84 0.00 0.00 0.00 176.54 174.62 1pua h THR 139 N 0.41 1.24 -0.27 4.70 2.02 -1.98 -2.54 112.91 116.49 1pua h THR 139 Ca 0.11 -2.59 -0.06 0.00 0.77 0.00 0.00 66.41 64.64 1pua h THR 139 Cb -0.02 2.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 1pua h THR 139 CO -0.02 0.79 -0.09 0.03 0.37 0.00 0.00 175.52 176.60 1pua h ARG 140 N -0.03 0.44 -0.14 6.66 3.08 -1.17 -0.80 114.38 122.42 1pua h ARG 140 Ca -0.25 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.60 1pua h ARG 140 Cb 2.00 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.99 1pua h ARG 140 CO 0.21 0.54 -0.24 1.25 -1.07 0.00 0.00 179.97 180.66 1pua h LEU 141 N 0.41 0.45 -0.79 3.04 5.85 -0.94 -1.17 115.31 122.17 1pua h LEU 141 Ca 0.08 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 1pua h LEU 141 Cb 0.42 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1pua h LEU 141 CO 0.02 0.90 0.11 -0.03 -0.34 0.00 0.00 178.44 179.11 1pua h MET 142 N 0.02 1.03 -0.43 1.25 4.05 -1.05 0.96 114.93 120.75 1pua h MET 142 Ca 0.01 -0.26 -0.15 0.00 -0.28 0.00 0.00 59.70 59.02 1pua h MET 142 Cb 0.82 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1pua h MET 142 CO 0.05 0.94 -0.32 -0.91 0.23 0.00 0.00 176.91 176.90 1pua h ASN 143 N 0.97 1.02 0.11 1.39 2.35 -1.07 0.58 115.58 120.93 1pua h ASN 143 Ca 0.20 -0.44 -0.14 0.00 -0.55 0.00 0.00 56.30 55.37 1pua h ASN 143 Cb 0.40 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1pua h ASN 143 CO 0.01 1.24 -0.48 0.11 -1.65 0.00 0.00 177.43 176.66 1pua h LYS 144 N 0.81 0.44 -0.23 0.81 1.79 -0.86 -1.16 116.57 118.18 1pua h LYS 144 Ca 0.08 -0.25 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 1pua h LYS 144 Cb 0.91 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1pua h LYS 144 CO 0.08 0.82 -0.14 0.35 -1.08 0.00 0.00 179.45 179.49 1pua h PHE 145 N 0.35 0.58 -0.18 -1.35 -0.00 -0.43 -1.46 116.94 114.45 1pua h PHE 145 Ca 0.02 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.97 57.73 1pua h PHE 145 Cb 0.97 -0.13 -0.01 0.00 -0.00 0.00 0.00 35.95 36.78 1pua h PHE 145 CO 0.03 0.80 -0.33 0.87 -0.00 0.00 0.00 178.31 179.68 1pua h LYS 146 N 0.21 0.36 -0.42 1.11 1.57 -0.68 -0.41 116.57 118.31 1pua h LYS 146 Ca 0.05 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1pua h LYS 146 Cb 0.66 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1pua h LYS 146 CO 0.04 0.65 -0.07 0.22 -0.57 0.00 0.00 179.45 179.72 1pua h ASP 147 N 0.31 0.79 -0.31 0.86 1.82 -0.99 -1.02 116.42 117.87 1pua h ASP 147 Ca 0.04 -0.35 -0.15 0.00 -0.39 0.00 0.00 57.03 56.18 1pua h ASP 147 Cb 0.73 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.52 1pua h ASP 147 CO 0.06 0.95 -0.37 -0.74 -1.61 0.00 0.00 179.24 177.52 1pua h HIS 148 N 0.62 1.02 -0.16 0.28 2.76 -0.84 -2.46 115.15 116.37 1pua h HIS 148 Ca 0.11 -0.30 -0.09 0.00 -2.20 0.00 0.00 60.37 57.89 1pua h HIS 148 Cb 0.58 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1pua h HIS 148 CO 0.05 1.09 -0.30 0.52 -1.30 0.00 0.00 177.93 177.99 1pua h MET 149 N 0.70 0.30 -0.44 5.26 2.86 -0.84 -0.36 114.93 122.42 1pua h MET 149 Ca 0.06 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.45 1pua h MET 149 Cb 0.95 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1pua h MET 149 CO 0.09 0.58 -0.26 0.37 1.06 0.00 0.00 176.91 178.75 1pua h GLN 150 N 0.27 0.95 0.00 1.72 4.15 -0.93 0.67 115.11 121.93 1pua h GLN 150 Ca 0.04 -0.44 -0.05 0.00 0.77 0.00 0.00 58.65 58.97 1pua h GLN 150 Cb 0.67 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1pua h GLN 150 CO 0.05 1.10 -0.25 0.87 -1.93 0.00 0.00 178.83 178.67 1pua h LYS 151 N 0.78 0.00 -0.14 1.69 1.57 -0.95 -2.37 116.57 117.15 1pua h LYS 151 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1pua h LYS 151 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1pua h LYS 151 CO 0.07 0.25 0.00 1.04 -0.57 0.00 0.00 179.45 180.24 1pua n GLN 152 N -3.35 1.81 -3.47 3.15 1.13 -0.20 -4.92 117.38 111.52 1pua n GLN 152 Ca 0.01 -1.20 -0.21 0.00 -1.94 0.00 0.00 57.00 53.66 1pua n GLN 152 Cb 0.47 -1.43 0.08 0.00 0.11 0.00 0.00 30.24 29.47 1pua n GLN 152 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1pua n ASN 153 N 0.43 -5.02 -4.74 1.08 5.15 -0.86 -4.98 115.26 106.33 1pua n ASN 153 Ca 0.17 -0.52 -0.35 0.00 -0.60 0.00 0.00 54.58 53.28 1pua n ASN 153 Cb 0.37 -4.73 -0.08 0.00 -0.53 0.00 0.00 39.78 34.81 1pua n ASN 153 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pua s ILE 154 N -3.31 5.37 -0.18 -1.44 -1.09 0.17 -4.74 121.20 115.98 1pua s ILE 154 Ca 0.40 0.17 0.15 0.00 -2.23 0.00 0.00 60.65 59.14 1pua s ILE 154 Cb -0.18 -3.43 -0.24 0.00 -1.58 0.00 0.00 42.46 37.03 1pua s ILE 154 CO 0.68 0.46 0.13 1.21 -1.23 0.00 0.00 174.94 176.19 1pua n GLU 155 N 3.35 0.68 -4.08 2.79 2.13 0.31 -4.40 120.64 121.41 1pua n GLU 155 Ca -0.16 0.06 -0.14 0.00 0.66 0.00 0.00 57.16 57.58 1pua n GLU 155 Cb 0.52 -1.57 -0.11 0.00 0.27 0.00 0.00 31.44 30.55 1pua n GLU 155 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1pua s TYR 156 N -2.51 0.76 -0.06 4.31 1.51 -1.02 -0.60 117.35 119.74 1pua s TYR 156 Ca -0.12 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 1pua s TYR 156 Cb 0.07 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1pua s TYR 156 CO 0.80 -0.07 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.44 1pua s LEU 157 N -1.69 2.21 0.09 -1.29 1.43 -0.18 -1.36 118.68 117.89 1pua s LEU 157 Ca -0.08 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1pua s LEU 157 Cb -0.09 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1pua s LEU 157 CO 0.00 0.26 -0.18 -0.76 0.23 0.00 0.00 176.35 175.90 1pua s LEU 158 N -0.25 2.29 -0.20 1.79 1.43 0.07 -0.97 118.68 122.84 1pua s LEU 158 Ca -0.01 -0.65 -0.27 0.00 -1.03 0.00 0.00 54.13 52.17 1pua s LEU 158 Cb -0.13 -0.74 0.08 0.00 0.03 0.00 0.00 46.19 45.43 1pua s LEU 158 CO 0.03 0.01 0.78 0.28 0.23 0.00 0.00 176.35 177.68 1pua s THR 159 N -1.20 0.00 -0.12 5.49 -1.32 -0.32 -1.19 115.64 116.99 1pua s THR 159 Ca 0.03 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.35 1pua s THR 159 Cb -0.10 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 1pua s THR 159 CO 0.03 0.00 0.41 -0.31 -2.21 0.00 0.00 174.62 172.54 1pua s TYR 160 N -0.21 3.52 0.00 9.09 1.51 -1.26 -0.25 117.35 129.75 1pua s TYR 160 Ca -0.03 0.80 -0.02 0.00 -1.01 0.00 0.00 57.07 56.82 1pua s TYR 160 Cb -0.03 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 1pua s TYR 160 CO 0.02 0.24 0.02 0.00 -1.11 0.00 0.00 175.55 174.72 1pua s ALA 161 N 0.41 -0.03 0.04 3.71 0.00 0.36 -4.96 121.76 121.30 1pua s ALA 161 Ca 0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1pua s ALA 161 Cb -0.15 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1pua s ALA 161 CO 0.08 -0.12 0.09 0.16 0.00 0.00 0.00 175.76 175.98 1pua s ASP 162 N -0.91 0.20 1.90 0.00 -4.77 -1.26 -1.63 116.67 110.20 1pua s ASP 162 Ca -0.10 -0.58 0.00 0.00 -3.30 0.00 0.00 52.55 48.57 1pua s ASP 162 Cb -0.06 0.23 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 1pua s ASP 162 CO -0.00 -0.53 0.00 0.59 0.70 0.00 0.00 175.17 175.93 1pua n ASN 163 N 0.66 0.00 -0.20 2.11 3.02 -1.26 -3.19 115.26 116.41 1pua n ASN 163 Ca -0.18 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.30 1pua n ASN 163 Cb 0.59 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.79 1pua n ASN 163 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1pua h PHE 164 N 0.00 0.77 -0.04 3.10 -5.15 -2.02 -2.97 116.94 110.62 1pua h PHE 164 Ca 0.00 -0.01 0.01 0.00 -0.20 0.00 0.00 57.97 57.77 1pua h PHE 164 Cb 0.00 -0.25 -0.00 0.00 0.22 0.00 0.00 35.95 35.92 1pua h PHE 164 CO 0.00 0.54 0.19 0.00 -2.00 0.00 0.00 178.31 177.05 1pua h ALA 165 N 1.15 1.31 -0.53 12.09 0.00 -1.95 0.21 119.26 131.55 1pua h ALA 165 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1pua h ALA 165 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1pua h ALA 165 CO -0.03 -0.21 0.26 0.82 0.00 0.00 0.00 179.25 180.08 1pua h ILE 166 N 0.00 1.19 -0.41 0.00 2.04 -1.70 -0.85 117.51 117.79 1pua h ILE 166 Ca 0.02 -0.54 -0.16 0.00 1.00 0.00 0.00 64.86 65.18 1pua h ILE 166 Cb 0.40 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1pua h ILE 166 CO -0.00 0.22 -0.36 1.23 0.00 0.00 0.00 178.15 179.24 1pua h GLY 167 N 0.71 1.04 1.11 5.37 0.00 -0.78 -1.18 103.07 109.34 1pua h GLY 167 Ca 0.18 -1.04 -0.14 0.00 0.00 0.00 0.00 47.33 46.33 1pua h GLY 167 CO -0.02 0.94 -0.26 -1.82 0.00 0.00 0.00 176.54 175.38 1pua h TYR 168 N 0.79 1.13 0.00 5.60 3.20 -1.30 -2.42 116.97 123.96 1pua h TYR 168 Ca 0.07 -0.29 -0.13 0.00 3.14 0.00 0.00 58.73 61.51 1pua h TYR 168 Cb 0.95 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 1pua h TYR 168 CO 0.06 1.12 -0.64 0.74 -1.64 0.00 0.00 178.16 177.80 1pua h PHE 169 N 0.82 0.00 -0.11 -3.82 -1.00 -1.11 -2.53 116.94 109.20 1pua h PHE 169 Ca 0.10 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.77 1pua h PHE 169 Cb 0.84 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.39 1pua h PHE 169 CO 0.06 0.64 -0.41 0.87 -1.61 0.00 0.00 178.31 177.85 1pua h LYS 170 N 0.00 0.24 0.00 1.51 1.57 -0.98 0.87 116.57 119.78 1pua h LYS 170 Ca -0.01 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1pua h LYS 170 Cb 1.18 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1pua h LYS 170 CO 0.08 0.62 -0.39 0.87 -0.57 0.00 0.00 179.45 180.06 1pua h LYS 171 N 0.20 0.00 -0.62 3.15 6.56 -1.19 -2.15 116.57 122.53 1pua h LYS 171 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1pua h LYS 171 Cb 0.82 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1pua h LYS 171 CO 0.06 0.39 0.00 1.04 -2.06 0.00 0.00 179.45 178.89 1pua n GLN 172 N -3.32 3.02 -2.23 3.15 1.13 -0.72 -4.93 117.38 113.49 1pua n GLN 172 Ca 0.01 -2.22 -0.03 0.00 -1.94 0.00 0.00 57.00 52.83 1pua n GLN 172 Cb 0.61 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1pua n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pua n GLY 173 N 1.03 0.39 3.83 1.08 0.00 -0.81 -5.04 105.19 105.66 1pua n GLY 173 Ca 0.20 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1pua n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pua s PHE 174 N -2.40 3.36 0.21 1.61 0.40 0.22 -4.57 117.98 116.81 1pua s PHE 174 Ca 0.02 0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.65 1pua s PHE 174 Cb -0.01 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 1pua s PHE 174 CO 0.03 0.58 -0.10 0.95 0.70 0.00 0.00 175.22 177.38 1pua s THR 175 N -1.29 1.51 -0.33 0.64 -4.23 0.04 -3.92 115.64 108.06 1pua s THR 175 Ca 0.26 -2.14 0.23 0.00 -1.18 0.00 0.00 61.69 58.86 1pua s THR 175 Cb -0.12 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1pua s THR 175 CO 0.18 -0.53 1.09 0.11 -0.54 0.00 0.00 174.62 174.93 1pua h LYS 176 N 2.53 0.00 -5.64 3.99 1.57 -1.87 -1.64 116.57 115.51 1pua h LYS 176 Ca -0.38 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.80 1pua h LYS 176 Cb 1.22 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.43 1pua h LYS 176 CO 0.64 0.00 0.11 -2.00 -0.57 0.00 0.00 179.45 177.63 1pua s GLU 177 N -3.32 4.20 0.18 3.15 2.12 -1.26 -4.94 118.70 118.84 1pua s GLU 177 Ca 0.01 0.60 -0.04 0.00 0.36 0.00 0.00 54.97 55.89 1pua s GLU 177 Cb 0.10 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 1pua s GLU 177 CO 0.78 -0.25 0.42 -1.01 -0.54 0.00 0.00 175.26 174.66 1pua s HIS 178 N 1.93 3.47 -0.05 5.30 3.76 -1.26 -4.86 115.29 123.59 1pua s HIS 178 Ca 0.28 0.54 0.04 0.00 -0.15 0.00 0.00 55.06 55.77 1pua s HIS 178 Cb -0.16 -2.00 -0.06 0.00 1.11 0.00 0.00 32.58 31.47 1pua s HIS 178 CO 0.10 0.37 0.02 -2.13 -0.85 0.00 0.00 174.74 172.26 1pua n ARG 179 N -0.26 3.04 -2.87 1.40 0.63 -1.26 -4.96 116.66 112.39 1pua n ARG 179 Ca -0.03 -0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.49 1pua n ARG 179 Cb 0.53 -1.12 -0.04 0.00 0.45 0.00 0.00 32.46 32.27 1pua n ARG 179 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1pua s MET 180 N -2.13 4.53 0.50 -0.14 1.75 -1.26 -5.02 119.30 117.53 1pua s MET 180 Ca -0.02 1.19 -0.23 0.00 -1.25 0.00 0.00 55.69 55.38 1pua s MET 180 Cb 0.02 -3.42 -0.06 0.00 2.84 0.00 0.00 34.83 34.20 1pua s MET 180 CO 0.20 0.09 1.37 -2.14 -0.65 0.00 0.00 175.02 173.89 1pua s PRO 181 N 0.57 3.39 0.32 4.11 0.02 -1.26 -4.92 135.00 137.23 1pua s PRO 181 Ca 0.44 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.73 1pua s PRO 181 Cb -0.20 -2.42 0.51 0.00 0.02 0.00 0.00 34.50 32.40 1pua s PRO 181 CO 0.24 -1.00 1.98 0.37 -0.33 0.00 0.00 177.00 178.27 1pua h GLN 182 N 1.84 1.00 0.00 5.54 4.15 -1.99 -1.93 115.11 123.71 1pua h GLN 182 Ca -0.51 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.85 1pua h GLN 182 Cb 1.28 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1pua h GLN 182 CO 0.59 0.66 0.00 1.05 -1.93 0.00 0.00 178.83 179.20 1pua h GLU 183 N 1.03 0.00 -0.01 1.69 9.09 -1.92 -2.01 114.58 122.44 1pua h GLU 183 Ca 0.28 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.48 1pua h GLU 183 Cb -0.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 26.98 1pua h GLU 183 CO -0.06 0.00 -0.89 0.87 0.05 0.00 0.00 179.01 178.98 1pua h LYS 184 N 0.00 0.34 0.00 1.06 1.79 -1.72 -3.31 116.57 114.73 1pua h LYS 184 Ca 0.00 -0.35 -0.14 0.00 -2.18 0.00 0.00 60.65 57.98 1pua h LYS 184 Cb 0.38 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1pua h LYS 184 CO 0.00 1.03 -2.05 -2.67 -1.08 0.00 0.00 179.45 174.68 1pua n TRP 185 N -3.73 0.11 -1.86 -1.35 4.27 -1.01 -4.88 117.44 109.00 1pua n TRP 185 Ca -0.05 0.04 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1pua n TRP 185 Cb 0.81 -0.74 -0.03 0.00 -1.36 0.00 0.00 31.31 29.99 1pua n TRP 185 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1pua s LYS 186 N -3.11 4.18 0.00 -2.67 1.02 -0.79 -0.63 119.74 117.73 1pua s LYS 186 Ca -0.08 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.38 1pua s LYS 186 Cb 0.11 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1pua s LYS 186 CO 0.87 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 1pua n GLY 187 N 3.35 0.71 1.14 -3.33 0.00 -1.26 -4.79 105.19 101.00 1pua n GLY 187 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1pua n GLY 187 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pua n TYR 188 N -2.00 0.00 -4.02 1.61 4.02 -0.52 -5.04 117.16 111.21 1pua n TYR 188 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 1pua n TYR 188 Cb 0.00 0.13 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 1pua n TYR 188 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1pua s ILE 189 N -1.96 5.06 0.11 -0.72 -1.09 0.19 -5.08 121.20 117.71 1pua s ILE 189 Ca 0.00 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 57.92 1pua s ILE 189 Cb 0.00 -3.30 -0.06 0.00 -1.58 0.00 0.00 42.46 37.53 1pua s ILE 189 CO 0.00 0.41 0.96 -0.75 -1.23 0.00 0.00 174.94 174.33 1pua s LYS 190 N -1.60 4.70 -0.47 2.79 2.20 -1.26 -4.56 119.74 121.54 1pua s LYS 190 Ca 0.22 1.45 -0.20 0.00 -0.36 0.00 0.00 55.97 57.08 1pua s LYS 190 Cb -0.12 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1pua s LYS 190 CO 0.13 0.21 0.63 0.34 -0.36 0.00 0.00 175.35 176.30 1pua s ASP 191 N 0.00 6.27 -0.07 1.43 3.68 -1.26 -5.02 116.67 121.70 1pua s ASP 191 Ca 0.47 -0.58 0.01 0.00 2.13 0.00 0.00 52.55 54.58 1pua s ASP 191 Cb -0.23 -2.30 -0.03 0.00 -1.45 0.00 0.00 42.92 38.90 1pua s ASP 191 CO 0.30 -0.82 -0.08 -0.31 0.13 0.00 0.00 175.17 174.39 1pua s TYR 192 N 2.74 2.90 -1.95 -5.34 1.51 -1.26 -4.98 117.35 110.96 1pua s TYR 192 Ca 0.19 -0.06 0.24 0.00 -1.01 0.00 0.00 57.07 56.44 1pua s TYR 192 Cb -0.16 -1.72 0.31 0.00 -0.11 0.00 0.00 41.96 40.28 1pua s TYR 192 CO 0.16 0.26 1.29 -0.25 -1.11 0.00 0.00 175.55 175.90 1pua n ASP 193 N 2.38 1.65 -0.02 2.29 8.00 -1.26 -4.18 116.55 125.41 1pua n ASP 193 Ca -0.18 -1.28 0.12 0.00 0.71 0.00 0.00 54.79 54.15 1pua n ASP 193 Cb 0.53 0.33 0.16 0.00 -0.02 0.00 0.00 41.12 42.12 1pua n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pua n GLY 194 N 1.38 -1.14 3.57 0.44 0.00 -1.26 -4.97 105.19 103.21 1pua n GLY 194 Ca 0.11 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 1pua n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pua s GLY 195 N -2.97 2.61 -0.23 -0.02 0.00 -1.26 -5.02 107.32 100.43 1pua s GLY 195 Ca 0.11 -1.24 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 1pua s GLY 195 CO 0.73 -1.93 -0.02 -1.59 0.00 0.00 0.00 173.10 170.29 1pua s THR 196 N -3.12 3.55 -0.13 0.90 2.01 -0.64 -4.96 115.64 113.24 1pua s THR 196 Ca 0.22 -0.45 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 1pua s THR 196 Cb 0.04 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 1pua s THR 196 CO 0.12 0.40 0.66 -0.22 -0.69 0.00 0.00 174.62 174.89 1pua s LEU 197 N 1.50 4.23 0.09 4.42 2.96 -1.26 -0.49 118.68 130.14 1pua s LEU 197 Ca 0.06 1.01 0.10 0.00 -0.22 0.00 0.00 54.13 55.07 1pua s LEU 197 Cb -0.14 -2.98 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 1pua s LEU 197 CO -0.02 -0.19 -0.24 -0.04 -1.32 0.00 0.00 176.35 174.54 1pua s MET 198 N 1.32 1.65 0.07 1.98 -1.94 0.65 -4.66 119.30 118.38 1pua s MET 198 Ca 0.33 -1.21 0.04 0.00 -1.71 0.00 0.00 55.69 53.13 1pua s MET 198 Cb -0.17 -1.99 -0.03 0.00 2.01 0.00 0.00 34.83 34.66 1pua s MET 198 CO 0.14 0.48 -0.11 -1.83 -0.01 0.00 0.00 175.02 173.69 1pua s GLU 199 N -1.77 0.75 -0.05 2.03 -1.05 -0.62 -1.17 118.70 116.82 1pua s GLU 199 Ca 0.14 -0.97 0.01 0.00 -0.15 0.00 0.00 54.97 54.00 1pua s GLU 199 Cb -0.10 -0.58 0.02 0.00 -0.44 0.00 0.00 34.13 33.03 1pua s GLU 199 CO 0.05 0.11 -0.05 0.00 0.95 0.00 0.00 175.26 176.33 1pua s TYR 201 N 0.95 3.64 -0.36 0.00 5.04 -1.26 -1.01 117.35 124.35 1pua s TYR 201 Ca -0.10 1.13 -0.05 0.00 -2.44 0.00 0.00 57.07 55.61 1pua s TYR 201 Cb -0.14 -2.60 0.07 0.00 0.35 0.00 0.00 41.96 39.63 1pua s TYR 201 CO -0.00 0.30 0.14 0.42 -1.34 0.00 0.00 175.55 175.07 1pua s ILE 202 N 0.03 3.55 0.13 3.14 -1.09 0.23 -4.99 121.20 122.20 1pua s ILE 202 Ca 0.30 -1.49 -0.28 0.00 -2.23 0.00 0.00 60.65 56.95 1pua s ILE 202 Cb -0.17 -3.16 -0.07 0.00 -1.58 0.00 0.00 42.46 37.48 1pua s ILE 202 CO 0.16 -0.36 0.89 -2.28 -1.23 0.00 0.00 174.94 172.11 1pua s HIS 203 N 1.30 3.85 0.66 3.97 5.65 -1.26 -4.64 115.29 124.82 1pua s HIS 203 Ca 0.01 1.74 0.37 0.00 0.25 0.00 0.00 55.06 57.42 1pua s HIS 203 Cb -0.21 -2.95 2.00 0.00 -1.18 0.00 0.00 32.58 30.24 1pua s HIS 203 CO -0.00 0.32 2.14 -1.00 -0.65 0.00 0.00 174.74 175.55 1pua h PRO 204 N 5.08 0.00 -0.30 2.88 0.13 -1.95 -3.09 132.00 134.74 1pua h PRO 204 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.44 1pua h PRO 204 Cb 1.21 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.02 1pua h PRO 204 CO 0.70 0.00 -0.88 2.48 -0.23 0.00 0.00 178.00 180.07 1pua n TYR 205 N -3.04 1.03 -3.84 1.56 0.18 -1.26 -5.02 117.16 106.77 1pua n TYR 205 Ca -0.02 -1.61 -0.36 0.00 1.88 0.00 0.00 57.90 57.79 1pua n TYR 205 Cb 0.24 -0.24 -0.06 0.00 -0.38 0.00 0.00 39.34 38.90 1pua n TYR 205 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1pua s VAL 206 N -2.94 5.44 -0.02 -3.48 1.01 -1.17 -5.08 120.40 114.16 1pua s VAL 206 Ca 0.37 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.41 1pua s VAL 206 Cb 0.37 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1pua s VAL 206 CO -0.06 0.55 0.39 -0.62 0.00 0.00 0.00 175.10 175.37 1pua s ASP 207 N -1.22 6.76 -0.18 3.32 -1.08 -1.26 -4.97 116.67 118.03 1pua s ASP 207 Ca 0.19 0.90 0.01 0.00 -0.52 0.00 0.00 52.55 53.13 1pua s ASP 207 Cb -0.13 -2.24 0.03 0.00 -1.46 0.00 0.00 42.92 39.12 1pua s ASP 207 CO 0.08 0.29 -0.16 -0.31 0.52 0.00 0.00 175.17 175.59 1pua s TYR 208 N -0.86 2.63 0.00 -5.34 1.51 -1.26 -4.88 117.35 109.15 1pua s TYR 208 Ca 0.23 -1.60 0.00 0.00 -1.01 0.00 0.00 57.07 54.69 1pua s TYR 208 Cb -0.16 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1pua s TYR 208 CO 0.12 -0.77 0.00 0.41 -1.11 0.00 0.00 175.55 174.20 1pua n GLY 209 N 4.65 2.20 0.00 0.71 0.00 -1.26 -4.65 105.19 106.83 1pua n GLY 209 Ca -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1pua n GLY 209 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19