#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cca s VAL 5 N 0.00 2.62 -0.28 4.08 1.01 -1.26 -4.79 120.40 121.78 1cca s VAL 5 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1cca s VAL 5 Cb 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.46 1cca s VAL 5 CO 0.00 0.54 0.04 -1.00 0.00 0.00 0.00 175.10 174.68 1cca s HIS 6 N -0.72 2.09 -0.11 5.22 3.76 -1.26 -5.06 115.29 119.21 1cca s HIS 6 Ca 0.11 -1.81 -0.18 0.00 -0.15 0.00 0.00 55.06 53.03 1cca s HIS 6 Cb -0.10 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 1cca s HIS 6 CO 0.01 -0.83 0.48 0.08 -0.85 0.00 0.00 174.74 173.63 1cca s VAL 7 N 1.49 5.18 0.17 -0.90 1.01 -1.26 -0.91 120.40 125.17 1cca s VAL 7 Ca 0.05 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.67 1cca s VAL 7 Cb -0.18 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.29 1cca s VAL 7 CO -0.16 0.34 1.52 0.00 0.00 0.00 0.00 175.10 176.80 1cca s ALA 8 N 0.55 3.72 -0.24 5.51 0.00 -0.17 -4.86 121.76 126.27 1cca s ALA 8 Ca 0.26 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1cca s ALA 8 Cb -0.15 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.43 1cca s ALA 8 CO 0.11 -0.75 -0.05 0.45 0.00 0.00 0.00 175.76 175.52 1cca s SER 9 N 1.01 3.88 0.16 0.00 0.15 0.01 -4.73 113.70 114.19 1cca s SER 9 Ca 0.67 -1.22 -0.34 0.00 0.70 0.00 0.00 55.95 55.77 1cca s SER 9 Cb -0.42 -1.18 -0.15 0.00 -1.71 0.00 0.00 66.02 62.56 1cca s SER 9 CO 0.33 -0.25 1.38 0.52 1.20 0.00 0.00 173.24 176.42 1cca n VAL 10 N 4.66 0.45 -1.67 4.45 0.31 -1.26 -4.34 118.33 120.93 1cca n VAL 10 Ca -0.11 -0.11 -0.52 0.00 -0.01 0.00 0.00 64.34 63.58 1cca n VAL 10 Cb 0.44 -1.17 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 1cca n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cca n GLU 11 N 2.44 1.55 -1.60 5.55 4.71 -1.26 -4.73 120.64 127.30 1cca n GLU 11 Ca 0.16 0.57 -0.50 0.00 -0.01 0.00 0.00 57.16 57.37 1cca n GLU 11 Cb 0.26 -2.29 -0.06 0.00 -1.01 0.00 0.00 31.44 28.34 1cca n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1cca n LYS 12 N 4.75 1.67 -0.48 3.49 4.81 -1.26 -1.92 118.16 129.22 1cca n LYS 12 Ca 0.22 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1cca n LYS 12 Cb 0.21 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.67 1cca n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cca n GLY 13 N 5.23 0.74 3.83 3.14 0.00 -1.26 -5.04 105.19 111.83 1cca n GLY 13 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 1cca n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cca s ARG 14 N -0.52 4.02 0.27 1.61 1.81 -0.81 -5.09 118.95 120.25 1cca s ARG 14 Ca 0.00 0.53 0.01 0.00 -1.72 0.00 0.00 55.73 54.55 1cca s ARG 14 Cb 0.00 -3.07 -0.00 0.00 -0.45 0.00 0.00 34.95 31.43 1cca s ARG 14 CO 0.00 0.56 0.03 -1.13 -0.68 0.00 0.00 175.30 174.08 1cca n SER 15 N 1.23 2.25 -0.23 0.23 3.41 -1.26 -4.92 113.62 114.34 1cca n SER 15 Ca -0.08 -2.28 0.01 0.00 -0.26 0.00 0.00 58.87 56.26 1cca n SER 15 Cb 0.52 0.33 0.09 0.00 -0.26 0.00 0.00 64.21 64.89 1cca n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1cca h TYR 16 N 1.23 -0.28 -0.65 7.33 3.20 -2.00 -1.39 116.97 124.41 1cca h TYR 16 Ca -0.22 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.76 1cca h TYR 16 Cb 0.73 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 1cca h TYR 16 CO 0.00 -0.27 0.43 0.93 -1.64 0.00 0.00 178.16 177.61 1cca h GLU 17 N 0.03 0.65 -0.40 1.82 3.07 -1.98 -0.17 114.58 117.59 1cca h GLU 17 Ca 0.34 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 1cca h GLU 17 Cb 0.54 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1cca h GLU 17 CO -0.68 0.43 0.18 -0.44 -1.40 0.00 0.00 179.01 177.10 1cca h ASP 18 N 0.67 0.53 -0.04 1.42 3.32 -1.65 -2.38 116.42 118.29 1cca h ASP 18 Ca 0.28 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 1cca h ASP 18 Cb 0.25 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1cca h ASP 18 CO -0.09 0.53 -0.45 -0.26 -1.72 0.00 0.00 179.24 177.25 1cca h PHE 19 N 0.50 0.71 -0.42 4.55 0.04 -1.23 -2.64 116.94 118.44 1cca h PHE 19 Ca 0.13 -0.22 0.02 0.00 2.80 0.00 0.00 57.97 60.70 1cca h PHE 19 Cb 0.15 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1cca h PHE 19 CO -0.01 0.93 0.28 0.37 -0.60 0.00 0.00 178.31 179.29 1cca h GLN 20 N 0.47 0.49 -0.43 1.51 5.75 -0.92 -1.15 115.11 120.83 1cca h GLN 20 Ca 0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 1cca h GLN 20 Cb 0.97 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 1cca h GLN 20 CO 0.09 0.33 -0.14 0.87 -2.65 0.00 0.00 178.83 177.32 1cca h LYS 21 N 0.51 0.79 -0.40 1.69 1.57 -1.07 -0.77 116.57 118.88 1cca h LYS 21 Ca 0.16 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1cca h LYS 21 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1cca h LYS 21 CO -0.04 0.88 -0.08 0.28 -0.57 0.00 0.00 179.45 179.93 1cca h VAL 22 N 0.70 1.27 0.24 0.50 2.07 -1.11 -1.40 116.25 118.53 1cca h VAL 22 Ca 0.11 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1cca h VAL 22 Cb 0.63 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1cca h VAL 22 CO 0.04 0.38 -0.31 0.22 0.02 0.00 0.00 177.57 177.93 1cca h TYR 23 N 0.56 -0.83 -0.91 1.57 5.03 -1.17 -1.45 116.97 119.77 1cca h TYR 23 Ca 0.10 0.01 0.14 0.00 2.58 0.00 0.00 58.73 61.56 1cca h TYR 23 Cb 0.59 0.33 -0.09 0.00 1.55 0.00 0.00 36.73 39.11 1cca h TYR 23 CO 0.05 -0.43 0.53 -0.91 -1.32 0.00 0.00 178.16 176.07 1cca h ASN 24 N -0.61 0.71 -0.52 -2.11 -0.26 -1.11 -0.18 115.58 111.50 1cca h ASN 24 Ca 0.00 0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 1cca h ASN 24 Cb 0.58 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.76 1cca h ASN 24 CO -0.10 0.33 0.22 0.00 -1.06 0.00 0.00 177.43 176.81 1cca h ALA 25 N 1.55 0.67 -0.25 -0.83 0.00 -0.74 -0.74 119.26 118.92 1cca h ALA 25 Ca 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1cca h ALA 25 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1cca h ALA 25 CO -0.32 0.27 0.12 0.82 0.00 0.00 0.00 179.25 180.13 1cca h ILE 26 N 0.69 1.15 -0.63 0.00 2.04 -0.83 -2.37 117.51 117.57 1cca h ILE 26 Ca 0.17 -0.44 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 1cca h ILE 26 Cb 0.18 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1cca h ILE 26 CO -0.02 0.15 0.10 0.00 0.00 0.00 0.00 178.15 178.38 1cca h ALA 27 N 0.97 0.98 -0.63 1.87 0.00 -0.88 -0.14 119.26 121.42 1cca h ALA 27 Ca 0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1cca h ALA 27 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1cca h ALA 27 CO -0.01 0.64 0.16 -0.07 0.00 0.00 0.00 179.25 179.97 1cca h LEU 28 N 0.97 0.96 -0.95 0.00 -0.00 -1.14 -2.27 115.31 112.88 1cca h LEU 28 Ca 0.19 -0.23 -0.10 0.00 -0.00 0.00 0.00 57.88 57.74 1cca h LEU 28 Cb 0.43 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 1cca h LEU 28 CO 0.01 0.94 -0.47 0.50 -0.00 0.00 0.00 178.44 179.42 1cca h LYS 29 N 0.93 0.00 -0.49 1.13 3.64 -0.99 -1.57 116.57 119.22 1cca h LYS 29 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1cca h LYS 29 Cb 0.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1cca h LYS 29 CO 0.00 0.47 0.28 -0.07 -2.27 0.00 0.00 179.45 177.86 1cca h LEU 30 N 0.00 0.60 -0.35 5.20 3.38 -0.75 -0.99 115.31 122.41 1cca h LEU 30 Ca -0.00 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1cca h LEU 30 Cb 0.92 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1cca h LEU 30 CO 0.06 0.51 0.17 -0.09 0.09 0.00 0.00 178.44 179.18 1cca h ARG 31 N 0.65 0.34 0.05 1.13 2.43 -1.14 -3.29 114.38 114.55 1cca h ARG 31 Ca 0.17 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1cca h ARG 31 Cb 0.03 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1cca h ARG 31 CO -0.03 0.22 -0.03 1.49 -1.51 0.00 0.00 179.97 180.12 1cca h GLU 32 N 0.35 -0.07 -2.35 0.20 4.81 -1.14 -3.31 114.58 113.07 1cca h GLU 32 Ca 0.15 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.84 1cca h GLU 32 Cb 0.06 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.35 1cca h GLU 32 CO -0.11 0.32 1.43 -0.25 -0.73 0.00 0.00 179.01 179.67 1cca n ASP 33 N -4.94 7.10 0.00 1.04 9.92 -0.39 -4.68 116.55 124.60 1cca n ASP 33 Ca -0.08 -2.94 0.09 0.00 -0.53 0.00 0.00 54.79 51.33 1cca n ASP 33 Cb 0.22 -1.36 0.44 0.00 -0.64 0.00 0.00 41.12 39.78 1cca n ASP 33 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1cca n ASP 34 N 1.90 0.00 0.19 -2.24 5.75 -1.25 -3.68 116.55 117.23 1cca n ASP 34 Ca 0.57 0.31 0.10 0.00 -0.01 0.00 0.00 54.79 55.76 1cca n ASP 34 Cb 0.48 -0.42 0.13 0.00 -1.03 0.00 0.00 41.12 40.28 1cca n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1cca h GLU 35 N 0.00 0.00 -6.47 0.11 9.09 -1.91 -3.31 114.58 112.10 1cca h GLU 35 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 1cca h GLU 35 Cb 0.28 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 27.47 1cca h GLU 35 CO 0.00 0.08 0.29 0.98 0.05 0.00 0.00 179.01 180.41 1cca n TYR 36 N -3.07 1.52 -3.50 2.06 9.36 -1.24 -1.76 117.16 120.52 1cca n TYR 36 Ca 0.03 0.64 -0.22 0.00 3.32 0.00 0.00 57.90 61.66 1cca n TYR 36 Cb 0.57 -2.31 0.04 0.00 -0.63 0.00 0.00 39.34 37.01 1cca n TYR 36 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1cca n ASP 37 N 1.62 -5.97 -3.97 2.98 2.03 -1.26 -1.64 116.55 110.34 1cca n ASP 37 Ca 0.11 -0.80 -0.28 0.00 0.52 0.00 0.00 54.79 54.34 1cca n ASP 37 Cb 0.30 -3.91 -0.00 0.00 -0.72 0.00 0.00 41.12 36.79 1cca n ASP 37 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1cca n ASN 38 N -2.64 -2.14 -1.16 1.67 4.13 -1.22 -2.07 115.26 111.84 1cca n ASN 38 Ca -0.09 -0.93 -0.14 0.00 1.68 0.00 0.00 54.58 55.10 1cca n ASN 38 Cb 0.59 -3.33 -0.05 0.00 -1.54 0.00 0.00 39.78 35.45 1cca n ASN 38 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1cca n TYR 39 N -4.44 -0.08 0.08 3.10 4.01 -0.72 -4.88 117.16 114.22 1cca n TYR 39 Ca -0.14 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.50 1cca n TYR 39 Cb 0.60 -2.59 -0.02 0.00 -0.31 0.00 0.00 39.34 37.02 1cca n TYR 39 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1cca h ILE 40 N 0.00 1.47 0.00 -0.72 2.04 -0.98 -3.47 117.51 115.85 1cca h ILE 40 Ca -0.30 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 62.98 1cca h ILE 40 Cb 0.97 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 1cca h ILE 40 CO 0.42 0.76 0.00 0.61 0.00 0.00 0.00 178.15 179.94 1cca n GLY 41 N 0.90 -0.59 0.09 5.37 0.00 -0.65 -4.69 105.19 105.61 1cca n GLY 41 Ca -0.04 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.40 1cca n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cca n TYR 42 N -0.63 0.00 0.04 1.61 4.02 -1.26 -4.42 117.16 116.52 1cca n TYR 42 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1cca n TYR 42 Cb 0.00 -0.15 -0.05 0.00 -0.02 0.00 0.00 39.34 39.11 1cca n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1cca h GLY 43 N 4.97 -0.58 0.52 2.72 0.00 -1.94 -2.42 103.07 106.33 1cca h GLY 43 Ca 0.00 0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.82 1cca h GLY 43 CO 0.00 -0.23 0.09 -2.55 0.00 0.00 0.00 176.54 173.84 1cca h PRO 44 N -0.49 0.22 0.00 4.80 0.11 -1.89 -2.11 132.00 132.64 1cca h PRO 44 Ca 0.07 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1cca h PRO 44 Cb 0.59 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1cca h PRO 44 CO -0.31 0.14 -0.26 -0.24 -0.21 0.00 0.00 178.00 177.13 1cca h VAL 45 N 0.22 0.81 -0.21 3.15 3.04 -1.80 -1.82 116.25 119.65 1cca h VAL 45 Ca 0.20 -1.04 -0.18 0.00 -1.01 0.00 0.00 66.70 64.67 1cca h VAL 45 Cb 0.23 1.63 -0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1cca h VAL 45 CO -0.25 0.25 -0.60 -0.07 -1.01 0.00 0.00 177.57 175.89 1cca h LEU 46 N 0.00 0.79 -0.45 3.16 3.38 -1.09 0.48 115.31 121.58 1cca h LEU 46 Ca -0.00 -0.45 -0.16 0.00 0.09 0.00 0.00 57.88 57.36 1cca h LEU 46 Cb 0.61 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1cca h LEU 46 CO 0.03 1.21 -0.74 -0.37 0.09 0.00 0.00 178.44 178.67 1cca h VAL 47 N 0.53 1.48 -0.77 1.22 -1.51 -0.90 -2.24 116.25 114.05 1cca h VAL 47 Ca -0.00 -2.58 -0.03 0.00 -1.23 0.00 0.00 66.70 62.86 1cca h VAL 47 Cb 1.18 2.41 -0.04 0.00 -2.13 0.00 0.00 31.29 32.72 1cca h VAL 47 CO 0.12 0.72 0.36 -0.09 -1.23 0.00 0.00 177.57 177.46 1cca h ARG 48 N 0.00 1.10 -0.20 5.19 2.43 -1.22 -1.83 114.38 119.84 1cca h ARG 48 Ca -0.01 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1cca h ARG 48 Cb 1.35 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1cca h ARG 48 CO 0.10 0.85 0.09 1.25 -1.51 0.00 0.00 179.97 180.75 1cca h LEU 49 N 1.09 0.27 -1.41 3.80 5.85 -0.75 -0.52 115.31 123.64 1cca h LEU 49 Ca 0.26 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1cca h LEU 49 Cb 0.12 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1cca h LEU 49 CO -0.03 0.34 0.30 0.00 -0.34 0.00 0.00 178.44 178.70 1cca h ALA 50 N 0.95 1.56 -0.11 1.25 0.00 -1.11 -2.17 119.26 119.62 1cca h ALA 50 Ca 0.07 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1cca h ALA 50 Cb 0.14 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1cca h ALA 50 CO -0.01 0.38 -0.56 2.35 0.00 0.00 0.00 179.25 181.41 1cca h TRP 51 N 0.71 0.79 -0.15 0.00 2.91 -1.14 -3.05 115.95 116.01 1cca h TRP 51 Ca 0.18 -0.35 -0.08 0.00 1.13 0.00 0.00 58.89 59.77 1cca h TRP 51 Cb -0.01 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 1cca h TRP 51 CO 0.00 1.14 -0.28 0.45 -1.03 0.00 0.00 178.44 178.72 1cca h HIS 52 N 0.21 0.32 0.00 2.65 3.86 -0.82 0.19 115.15 121.56 1cca h HIS 52 Ca -0.04 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1cca h HIS 52 Cb 1.21 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 1cca h HIS 52 CO 0.11 0.55 -0.13 -0.84 0.86 0.00 0.00 177.93 178.48 1cca h ILE 53 N 0.25 0.26 0.00 2.45 -0.00 -1.50 -3.24 117.51 115.73 1cca h ILE 53 Ca 0.04 -1.08 -0.27 0.00 -0.00 0.00 0.00 64.86 63.55 1cca h ILE 53 Cb 0.63 1.88 -0.05 0.00 -0.00 0.00 0.00 36.82 39.28 1cca h ILE 53 CO 0.05 0.13 -1.54 0.28 -0.00 0.00 0.00 178.15 177.06 1cca h SER 54 N 0.00 0.00 0.48 2.16 0.02 -1.36 -3.04 113.55 111.82 1cca h SER 54 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1cca h SER 54 Cb 0.87 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1cca h SER 54 CO 0.02 1.01 0.00 0.61 -1.14 0.00 0.00 176.83 177.32 1cca n GLY 55 N 1.51 -1.04 0.06 -3.77 0.00 0.63 -2.60 105.19 99.97 1cca n GLY 55 Ca -0.13 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 45.95 1cca n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cca n THR 56 N -1.35 0.00 -2.09 2.61 -2.24 -1.25 -4.66 114.28 105.30 1cca n THR 56 Ca 0.08 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.42 1cca n THR 56 Cb 0.19 -0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 1cca n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1cca s TRP 57 N -2.24 3.07 -0.25 4.78 -0.00 -1.07 -4.08 118.94 119.15 1cca s TRP 57 Ca 0.39 1.23 0.00 0.00 -0.00 0.00 0.00 56.10 57.72 1cca s TRP 57 Cb 0.21 -3.72 0.04 0.00 -0.00 0.00 0.00 33.47 30.00 1cca s TRP 57 CO 0.41 -2.18 -0.09 0.34 -0.00 0.00 0.00 176.95 175.44 1cca s ASP 58 N -0.02 4.28 0.61 5.86 -1.08 -0.27 -4.54 116.67 121.51 1cca s ASP 58 Ca 0.54 -1.08 0.36 0.00 -0.52 0.00 0.00 52.55 51.85 1cca s ASP 58 Cb -0.40 -1.61 1.94 0.00 -1.46 0.00 0.00 42.92 41.39 1cca s ASP 58 CO 0.47 -0.15 2.09 0.07 0.52 0.00 0.00 175.17 178.17 1cca h LYS 59 N 7.92 0.00 0.04 4.34 2.10 -1.61 -1.64 116.57 127.72 1cca h LYS 59 Ca -0.28 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.11 1cca h LYS 59 Cb 1.08 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1cca h LYS 59 CO 0.54 0.00 -1.05 0.45 -2.00 0.00 0.00 179.45 177.39 1cca h HIS 60 N 0.00 0.78 0.00 0.07 3.86 -1.95 -3.36 115.15 114.56 1cca h HIS 60 Ca 0.00 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1cca h HIS 60 Cb 0.25 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1cca h HIS 60 CO 0.00 1.29 -0.01 -0.40 0.86 0.00 0.00 177.93 179.67 1cca n ASP 61 N -3.76 1.51 -1.88 2.45 5.75 -1.13 -5.01 116.55 114.47 1cca n ASP 61 Ca -0.09 -1.84 -0.18 0.00 -0.01 0.00 0.00 54.79 52.67 1cca n ASP 61 Cb 0.89 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.90 1cca n ASP 61 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1cca n ASN 62 N -0.43 -5.01 -4.91 -1.12 5.15 -0.63 -3.87 115.26 104.44 1cca n ASN 62 Ca 0.01 0.29 -0.27 0.00 -0.60 0.00 0.00 54.58 54.01 1cca n ASN 62 Cb 0.35 -4.36 0.01 0.00 -0.53 0.00 0.00 39.78 35.25 1cca n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1cca s THR 63 N -2.69 4.39 0.00 -0.44 -4.23 -1.24 -4.87 115.64 106.56 1cca s THR 63 Ca 0.00 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1cca s THR 63 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1cca s THR 63 CO 0.00 -0.72 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1cca n GLY 64 N -2.43 -0.27 0.00 3.99 0.00 -1.26 -1.12 105.19 104.10 1cca n GLY 64 Ca 0.03 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1cca n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cca n GLY 65 N 0.00 -0.99 0.22 -0.02 0.00 -1.26 -4.65 105.19 98.49 1cca n GLY 65 Ca 0.00 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.51 1cca n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1cca h SER 66 N 0.00 0.00 -0.53 1.61 4.64 -1.75 -3.39 113.55 114.13 1cca h SER 66 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 1cca h SER 66 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 1cca h SER 66 CO 0.00 0.00 -0.19 0.22 -0.87 0.00 0.00 176.83 175.99 1cca h TYR 67 N 0.00 -0.45 -0.00 4.77 3.20 -1.86 -2.87 116.97 119.75 1cca h TYR 67 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1cca h TYR 67 Cb 0.67 0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1cca h TYR 67 CO 0.00 -0.28 -0.15 0.41 -1.64 0.00 0.00 178.16 176.50 1cca n GLY 68 N -1.40 -1.13 3.17 1.82 0.00 -1.26 -2.76 105.19 103.63 1cca n GLY 68 Ca 0.05 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1cca n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cca n GLY 69 N 1.37 -0.50 0.00 -0.02 0.00 -1.08 -1.99 105.19 102.97 1cca n GLY 69 Ca 0.11 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1cca n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cca n THR 70 N -4.13 0.37 0.21 2.61 -2.24 -1.26 -2.99 114.28 106.84 1cca n THR 70 Ca -0.06 0.09 0.18 0.00 -2.27 0.00 0.00 64.05 61.98 1cca n THR 70 Cb 0.58 -0.72 0.84 0.00 -2.10 0.00 0.00 70.33 68.92 1cca n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1cca h TYR 71 N 0.00 0.00 0.00 4.78 3.20 -1.93 -0.99 116.97 122.02 1cca h TYR 71 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1cca h TYR 71 Cb 0.26 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 1cca h TYR 71 CO 0.00 0.00 -0.02 0.07 -1.64 0.00 0.00 178.16 176.57 1cca h ARG 72 N 0.00 0.00 -6.38 1.82 0.11 -1.94 -3.19 114.38 104.80 1cca h ARG 72 Ca 0.09 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.62 1cca h ARG 72 Cb 0.52 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.56 1cca h ARG 72 CO -0.00 0.02 0.08 -0.06 0.10 0.00 0.00 179.97 180.10 1cca s PHE 73 N -4.06 3.86 0.23 4.08 0.08 -0.38 -4.93 117.98 116.87 1cca s PHE 73 Ca -0.03 1.46 -0.12 0.00 0.12 0.00 0.00 56.93 58.36 1cca s PHE 73 Cb 0.12 -2.64 0.31 0.00 -0.57 0.00 0.00 43.02 40.24 1cca s PHE 73 CO 0.48 0.55 1.39 1.63 -0.10 0.00 0.00 175.22 179.17 1cca n LYS 74 N 1.64 -0.15 -0.09 0.44 4.01 -1.26 -1.13 118.16 121.62 1cca n LYS 74 Ca -0.08 1.38 -0.06 0.00 -0.51 0.00 0.00 58.31 59.04 1cca n LYS 74 Cb 0.50 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 1cca n LYS 74 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1cca h LYS 75 N 0.00 -0.02 0.00 1.97 3.64 -1.93 0.06 116.57 120.29 1cca h LYS 75 Ca 0.37 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.50 1cca h LYS 75 Cb 0.59 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1cca h LYS 75 CO -0.90 -0.01 -0.96 1.49 -2.27 0.00 0.00 179.45 176.79 1cca h GLU 76 N -0.02 0.65 -0.75 1.90 4.81 -1.68 -2.96 114.58 116.54 1cca h GLU 76 Ca 0.16 -0.70 0.09 0.00 -0.13 0.00 0.00 59.36 58.78 1cca h GLU 76 Cb 0.26 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 1cca h GLU 76 CO -0.35 1.29 0.41 0.35 -0.73 0.00 0.00 179.01 179.98 1cca h PHE 77 N 0.30 0.74 -0.29 0.92 3.57 -0.88 -2.34 116.94 118.96 1cca h PHE 77 Ca -0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1cca h PHE 77 Cb 1.63 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1cca h PHE 77 CO 0.11 0.31 0.00 0.09 -2.23 0.00 0.00 178.31 176.59 1cca n ASN 78 N -4.79 1.75 -4.68 0.41 5.03 -0.01 -4.83 115.26 108.14 1cca n ASN 78 Ca 0.11 -1.92 -0.47 0.00 0.87 0.00 0.00 54.58 53.17 1cca n ASN 78 Cb 0.25 -0.20 -0.04 0.00 -1.02 0.00 0.00 39.78 38.77 1cca n ASN 78 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1cca n ASP 79 N 0.43 3.38 -0.33 6.41 -0.08 -0.88 -4.89 116.55 120.60 1cca n ASP 79 Ca 0.12 1.01 0.25 0.00 -1.51 0.00 0.00 54.79 54.67 1cca n ASP 79 Cb 0.29 -1.41 0.49 0.00 2.34 0.00 0.00 41.12 42.83 1cca n ASP 79 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1cca h PRO 80 N 8.00 0.14 0.00 -0.67 0.11 -1.91 0.14 132.00 137.80 1cca h PRO 80 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1cca h PRO 80 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1cca h PRO 80 CO 0.93 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 179.24 1cca n SER 81 N -5.20 0.54 -1.19 -2.05 7.64 -1.26 -2.14 113.62 109.96 1cca n SER 81 Ca 0.33 0.67 0.11 0.00 1.01 0.00 0.00 58.87 60.99 1cca n SER 81 Cb 1.07 -0.77 0.27 0.00 -1.01 0.00 0.00 64.21 63.77 1cca n SER 81 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1cca n ASN 82 N -2.13 3.49 -4.66 6.43 3.02 0.47 -5.00 115.26 116.88 1cca n ASN 82 Ca 0.01 -1.98 -0.48 0.00 -0.03 0.00 0.00 54.58 52.10 1cca n ASN 82 Cb 0.15 -0.35 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 1cca n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cca n ALA 83 N 1.45 0.82 0.00 5.41 0.00 -0.91 -1.64 120.51 125.64 1cca n ALA 83 Ca 0.21 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1cca n ALA 83 Cb 0.58 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1cca n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cca n GLY 84 N 3.54 3.27 0.17 0.00 0.00 -1.26 -4.86 105.19 106.06 1cca n GLY 84 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1cca n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cca h LEU 85 N 0.00 0.00 -1.99 0.99 3.38 -1.70 -3.04 115.31 112.94 1cca h LEU 85 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1cca h LEU 85 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1cca h LEU 85 CO 0.00 0.00 0.32 1.56 0.09 0.00 0.00 178.44 180.41 1cca h GLN 86 N 0.00 0.01 -0.49 1.13 7.50 -1.91 0.42 115.11 121.76 1cca h GLN 86 Ca 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1cca h GLN 86 Cb 0.43 -0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 1cca h GLN 86 CO 0.00 0.00 0.25 -0.91 -1.50 0.00 0.00 178.83 176.68 1cca h ASN 87 N 0.01 0.63 -0.31 1.46 2.35 -1.94 -0.43 115.58 117.35 1cca h ASN 87 Ca 0.21 -0.11 -0.14 0.00 -0.55 0.00 0.00 56.30 55.71 1cca h ASN 87 Cb 0.83 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 1cca h ASN 87 CO -0.00 0.56 -0.30 1.23 -1.65 0.00 0.00 177.43 177.27 1cca h GLY 88 N 0.65 0.90 0.88 2.83 0.00 -1.14 -2.03 103.07 105.16 1cca h GLY 88 Ca 0.17 -0.84 0.01 0.00 0.00 0.00 0.00 47.33 46.67 1cca h GLY 88 CO -0.02 0.76 -0.06 -2.75 0.00 0.00 0.00 176.54 174.47 1cca h PHE 89 N 0.70 -0.16 -0.59 5.60 3.57 -1.17 -2.14 116.94 122.76 1cca h PHE 89 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1cca h PHE 89 Cb 0.85 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1cca h PHE 89 CO 0.05 -0.10 0.38 0.87 -2.23 0.00 0.00 178.31 177.28 1cca h LYS 90 N -0.12 0.78 -0.48 1.11 1.57 -1.05 -1.36 116.57 117.02 1cca h LYS 90 Ca 0.01 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1cca h LYS 90 Cb 0.14 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1cca h LYS 90 CO -0.04 0.53 0.30 0.35 -0.57 0.00 0.00 179.45 180.02 1cca h PHE 91 N 0.80 0.56 0.00 -1.35 3.04 -1.01 -3.20 116.94 115.78 1cca h PHE 91 Ca 0.21 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 1cca h PHE 91 Cb -0.07 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 1cca h PHE 91 CO 0.00 0.34 -0.31 -0.07 -2.02 0.00 0.00 178.31 176.25 1cca h LEU 92 N 0.60 0.00 -0.59 0.59 3.38 -0.81 -3.38 115.31 115.10 1cca h LEU 92 Ca 0.19 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1cca h LEU 92 Cb -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 1cca h LEU 92 CO -0.07 0.31 0.07 -0.08 0.09 0.00 0.00 178.44 178.77 1cca h GLU 93 N 0.00 0.19 -0.47 1.13 4.81 -1.26 -0.30 114.58 118.68 1cca h GLU 93 Ca -0.00 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1cca h GLU 93 Cb 1.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1cca h GLU 93 CO 0.04 0.13 0.31 -1.00 -0.73 0.00 0.00 179.01 177.76 1cca h PRO 94 N 0.20 0.39 -0.15 0.92 0.13 -1.77 -1.72 132.00 130.00 1cca h PRO 94 Ca 0.31 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.26 1cca h PRO 94 Cb 0.47 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1cca h PRO 94 CO -0.44 0.26 -0.57 0.82 -0.23 0.00 0.00 178.00 177.85 1cca h ILE 95 N 0.41 1.34 -0.26 -3.56 2.04 -1.34 -2.10 117.51 114.03 1cca h ILE 95 Ca 0.20 -1.84 -0.15 0.00 1.00 0.00 0.00 64.86 64.07 1cca h ILE 95 Cb 0.28 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1cca h ILE 95 CO -0.05 0.56 -0.44 -0.74 0.00 0.00 0.00 178.15 177.49 1cca h HIS 96 N 0.36 0.80 -0.21 1.37 2.76 -0.55 -1.27 115.15 118.41 1cca h HIS 96 Ca 0.00 -0.25 -0.02 0.00 -2.20 0.00 0.00 60.37 57.90 1cca h HIS 96 Cb 1.10 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 1cca h HIS 96 CO 0.04 0.99 0.03 0.87 -1.30 0.00 0.00 177.93 178.55 1cca h LYS 97 N 0.54 0.30 -0.10 5.26 1.79 -1.21 -2.56 116.57 120.59 1cca h LYS 97 Ca 0.04 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.28 1cca h LYS 97 Cb 0.98 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1cca h LYS 97 CO 0.09 0.31 -0.69 1.49 -1.08 0.00 0.00 179.45 179.57 1cca h GLU 98 N 0.30 0.46 -2.45 3.15 4.81 -1.05 -3.37 114.58 116.43 1cca h GLU 98 Ca 0.07 -0.36 -0.60 0.00 -0.13 0.00 0.00 59.36 58.35 1cca h GLU 98 Cb 0.17 0.07 -0.42 0.00 0.63 0.00 0.00 28.75 29.20 1cca h GLU 98 CO 0.00 0.98 -0.65 1.19 -0.73 0.00 0.00 179.01 179.81 1cca n PHE 99 N -3.87 2.99 0.35 0.92 3.72 -0.51 -4.97 117.46 116.09 1cca n PHE 99 Ca -0.04 -4.12 0.14 0.00 -0.05 0.00 0.00 57.45 53.38 1cca n PHE 99 Cb 0.69 -0.52 0.58 0.00 -0.94 0.00 0.00 39.48 39.28 1cca n PHE 99 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1cca h PRO 100 N 4.59 0.00 0.00 -1.08 0.11 -1.64 -2.87 132.00 131.11 1cca h PRO 100 Ca 0.18 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 1cca h PRO 100 Cb 0.72 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1cca h PRO 100 CO 0.75 0.00 -0.24 0.11 -0.21 0.00 0.00 178.00 178.41 1cca h TRP 101 N 0.00 0.00 -3.84 0.65 5.08 -1.93 -3.45 115.95 112.45 1cca h TRP 101 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1cca h TRP 101 Cb 0.38 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.55 1cca h TRP 101 CO 0.00 0.24 0.44 -1.50 -1.28 0.00 0.00 178.44 176.34 1cca s ILE 102 N -3.52 3.64 0.62 0.12 2.07 -1.08 -4.93 121.20 118.11 1cca s ILE 102 Ca 0.01 1.54 -0.15 0.00 -1.41 0.00 0.00 60.65 60.64 1cca s ILE 102 Cb 0.09 -3.93 -0.02 0.00 0.13 0.00 0.00 42.46 38.73 1cca s ILE 102 CO 0.65 0.28 1.07 -0.94 -1.91 0.00 0.00 174.94 174.09 1cca s SER 103 N -1.11 5.58 0.12 4.50 1.04 -1.26 -4.88 113.70 117.69 1cca s SER 103 Ca 0.47 1.82 -0.21 0.00 0.48 0.00 0.00 55.95 58.52 1cca s SER 103 Cb -0.28 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.25 1cca s SER 103 CO 0.36 -1.30 1.71 0.28 0.98 0.00 0.00 173.24 175.26 1cca h SER 104 N 0.18 -0.18 -0.95 7.02 0.02 -1.91 -0.71 113.55 117.02 1cca h SER 104 Ca -0.46 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1cca h SER 104 Cb 1.22 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.82 1cca h SER 104 CO 0.57 -0.07 0.62 1.23 -1.14 0.00 0.00 176.83 178.04 1cca h GLY 105 N -0.02 1.39 1.05 -3.77 0.00 -1.81 0.11 103.07 100.02 1cca h GLY 105 Ca 0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1cca h GLY 105 CO -0.17 0.41 0.22 -0.55 0.00 0.00 0.00 176.54 176.46 1cca h ASP 106 N 1.21 1.06 -0.09 0.19 3.32 -1.77 -2.02 116.42 118.33 1cca h ASP 106 Ca 0.38 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1cca h ASP 106 Cb -0.01 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1cca h ASP 106 CO -0.12 1.00 0.00 0.25 -1.72 0.00 0.00 179.24 178.65 1cca h LEU 107 N 1.08 0.15 -0.52 1.55 5.85 -0.30 -0.54 115.31 122.58 1cca h LEU 107 Ca 0.23 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1cca h LEU 107 Cb 0.32 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1cca h LEU 107 CO -0.01 0.42 0.34 -0.26 -0.34 0.00 0.00 178.44 178.59 1cca h PHE 108 N -0.13 0.66 -0.28 1.25 0.04 -1.05 -0.20 116.94 117.22 1cca h PHE 108 Ca 0.02 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.67 1cca h PHE 108 Cb 0.34 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1cca h PHE 108 CO 0.03 0.42 -0.37 0.66 -0.60 0.00 0.00 178.31 178.45 1cca h SER 109 N 0.70 0.81 -0.61 2.17 4.64 -1.36 -2.99 113.55 116.91 1cca h SER 109 Ca 0.19 -0.50 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1cca h SER 109 Cb -0.07 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 61.76 1cca h SER 109 CO -0.04 1.15 0.38 0.25 -0.87 0.00 0.00 176.83 177.71 1cca h LEU 110 N 0.49 0.73 -0.70 5.97 5.85 -0.90 -2.39 115.31 124.37 1cca h LEU 110 Ca 0.03 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1cca h LEU 110 Cb 0.96 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 1cca h LEU 110 CO 0.09 0.55 0.30 1.23 -0.34 0.00 0.00 178.44 180.26 1cca h GLY 111 N 0.87 1.03 0.97 3.75 0.00 -0.88 0.25 103.07 109.06 1cca h GLY 111 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1cca h GLY 111 CO -0.04 -0.02 0.19 -1.33 0.00 0.00 0.00 176.54 175.33 1cca h GLY 112 N 0.48 0.49 0.99 4.60 0.00 -1.40 -1.14 103.07 107.09 1cca h GLY 112 Ca 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1cca h GLY 112 CO -0.33 0.20 0.26 -2.08 0.00 0.00 0.00 176.54 174.59 1cca h VAL 113 N 0.42 1.14 -0.30 4.60 2.07 -1.04 -2.28 116.25 120.86 1cca h VAL 113 Ca 0.12 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1cca h VAL 113 Cb 0.03 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1cca h VAL 113 CO -0.02 0.14 0.17 0.74 0.02 0.00 0.00 177.57 178.61 1cca h THR 114 N 0.57 1.13 -0.26 2.57 2.02 -0.83 -2.42 112.91 115.69 1cca h THR 114 Ca 0.15 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1cca h THR 114 Cb -0.01 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1cca h THR 114 CO -0.03 0.13 0.15 0.00 0.37 0.00 0.00 175.52 176.14 1cca h ALA 115 N 1.04 0.32 -0.73 6.16 0.00 -1.14 0.55 119.26 125.46 1cca h ALA 115 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1cca h ALA 115 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1cca h ALA 115 CO -0.02 -0.23 0.48 0.28 0.00 0.00 0.00 179.25 179.76 1cca h VAL 116 N 0.31 1.19 -0.23 0.00 2.07 -1.35 -1.37 116.25 116.87 1cca h VAL 116 Ca 0.10 -0.34 -0.20 0.00 0.82 0.00 0.00 66.70 67.09 1cca h VAL 116 Cb -0.00 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1cca h VAL 116 CO -0.05 0.18 -0.63 1.56 0.02 0.00 0.00 177.57 178.66 1cca h GLN 117 N 0.99 0.80 0.00 1.57 4.20 -1.18 0.68 115.11 122.17 1cca h GLN 117 Ca 0.27 -0.55 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 1cca h GLN 117 Cb -0.12 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1cca h GLN 117 CO -0.06 1.18 -0.32 0.93 -0.67 0.00 0.00 178.83 179.89 1cca h GLU 118 N 0.59 0.00 -0.99 1.46 4.39 -0.76 -2.71 114.58 116.57 1cca h GLU 118 Ca -0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1cca h GLU 118 Cb 1.24 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 1cca h GLU 118 CO 0.13 0.32 0.11 -1.33 -1.16 0.00 0.00 179.01 177.08 1cca n MET 119 N -3.88 1.31 -1.63 2.33 2.81 -0.53 -4.84 117.12 112.69 1cca n MET 119 Ca -0.02 -0.57 -0.17 0.00 -1.81 0.00 0.00 57.70 55.14 1cca n MET 119 Cb 0.39 -1.28 -0.06 0.00 -0.71 0.00 0.00 33.22 31.56 1cca n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1cca n GLN 120 N 0.18 -1.20 -0.90 0.03 1.13 -1.02 -0.81 117.38 114.79 1cca n GLN 120 Ca 0.10 1.05 -0.16 0.00 -1.94 0.00 0.00 57.00 56.05 1cca n GLN 120 Cb 0.68 -5.30 0.12 0.00 0.11 0.00 0.00 30.24 25.85 1cca n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cca n GLY 121 N -0.93 -1.68 3.79 1.08 0.00 0.22 -4.74 105.19 102.93 1cca n GLY 121 Ca -0.17 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 1cca n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cca s PRO 122 N -4.50 2.70 0.20 1.61 0.04 -1.26 -4.70 135.00 129.10 1cca s PRO 122 Ca 0.40 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1cca s PRO 122 Cb -0.02 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1cca s PRO 122 CO 0.29 -1.29 1.42 0.15 0.04 0.00 0.00 177.00 177.60 1cca s LYS 123 N -4.71 4.30 -0.34 4.56 -0.14 -1.26 -4.44 119.74 117.72 1cca s LYS 123 Ca 0.61 2.21 -0.06 0.00 -1.36 0.00 0.00 55.97 57.37 1cca s LYS 123 Cb -0.16 -3.16 0.04 0.00 -1.68 0.00 0.00 37.83 32.86 1cca s LYS 123 CO 0.51 -0.40 0.10 0.42 -0.76 0.00 0.00 175.35 175.21 1cca s ILE 124 N 0.36 3.77 0.29 2.17 -1.09 -1.26 -4.88 121.20 120.56 1cca s ILE 124 Ca 0.61 -1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 57.62 1cca s ILE 124 Cb -0.40 -3.13 -0.13 0.00 -1.58 0.00 0.00 42.46 37.23 1cca s ILE 124 CO 0.38 -0.16 1.37 -2.65 -1.23 0.00 0.00 174.94 172.65 1cca n PRO 125 N 4.81 2.14 -4.58 2.79 -0.02 -1.26 -4.78 135.00 134.10 1cca n PRO 125 Ca -0.13 0.76 -0.22 0.00 -2.02 0.00 0.00 63.50 61.89 1cca n PRO 125 Cb 0.45 -2.39 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 1cca n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1cca s TRP 126 N -0.52 1.19 -0.08 6.00 -0.00 -0.62 -4.80 118.94 120.10 1cca s TRP 126 Ca 0.62 -0.25 0.00 0.00 -0.00 0.00 0.00 56.10 56.47 1cca s TRP 126 Cb -0.60 -0.79 -0.03 0.00 -0.00 0.00 0.00 33.47 32.06 1cca s TRP 126 CO 0.55 -0.05 -0.07 1.03 -0.00 0.00 0.00 176.95 178.41 1cca s ARG 127 N -0.17 2.88 0.71 5.86 0.52 -1.26 -0.21 118.95 127.27 1cca s ARG 127 Ca 0.02 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1cca s ARG 127 Cb -0.06 -2.62 0.09 0.00 0.52 0.00 0.00 34.95 32.88 1cca s ARG 127 CO -0.00 0.59 0.99 0.00 0.02 0.00 0.00 175.30 176.90 1cca n GLY 129 N -2.87 0.78 3.77 0.00 0.00 -1.26 -4.74 105.19 100.87 1cca n GLY 129 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1cca n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cca s ARG 130 N 0.00 3.80 -0.09 1.61 0.52 -1.26 -0.81 118.95 122.72 1cca s ARG 130 Ca 0.00 2.10 0.04 0.00 -0.52 0.00 0.00 55.73 57.35 1cca s ARG 130 Cb 0.00 -2.62 -0.00 0.00 0.52 0.00 0.00 34.95 32.85 1cca s ARG 130 CO 0.00 -0.61 -0.23 0.08 0.02 0.00 0.00 175.30 174.56 1cca s VAL 131 N -1.32 1.95 0.18 3.52 1.01 -1.11 -4.67 120.40 119.95 1cca s VAL 131 Ca 0.60 -0.96 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 1cca s VAL 131 Cb -0.37 -1.68 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 1cca s VAL 131 CO 0.46 0.54 1.76 -1.81 0.00 0.00 0.00 175.10 176.04 1cca s ASP 132 N 0.29 6.40 0.28 3.32 1.11 -1.26 -4.07 116.67 122.74 1cca s ASP 132 Ca -0.16 2.82 0.08 0.00 0.18 0.00 0.00 52.55 55.48 1cca s ASP 132 Cb -0.17 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.19 1cca s ASP 132 CO 0.08 -0.98 0.11 0.42 1.18 0.00 0.00 175.17 175.97 1cca s THR 133 N 1.73 3.67 0.98 -1.27 -4.23 -0.84 -5.02 115.64 110.66 1cca s THR 133 Ca 0.77 -1.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.49 1cca s THR 133 Cb -0.48 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.47 1cca s THR 133 CO 0.34 -0.32 1.12 -2.84 -0.54 0.00 0.00 174.62 172.37 1cca s PRO 134 N -3.78 0.54 0.55 3.99 0.02 -1.26 -4.87 135.00 130.19 1cca s PRO 134 Ca 0.34 1.36 0.27 0.00 0.02 0.00 0.00 61.00 62.99 1cca s PRO 134 Cb -0.06 -1.69 1.46 0.00 0.02 0.00 0.00 34.50 34.24 1cca s PRO 134 CO 0.22 -2.90 2.00 1.49 -0.33 0.00 0.00 177.00 177.48 1cca h GLU 135 N -2.06 0.00 -0.00 5.54 4.81 -1.99 -0.60 114.58 120.29 1cca h GLU 135 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1cca h GLU 135 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1cca h GLU 135 CO 0.44 0.00 -0.00 -0.40 -0.73 0.00 0.00 179.01 178.32 1cca n ASP 136 N -4.15 0.02 -0.43 1.04 5.75 -1.26 -2.67 116.55 114.85 1cca n ASP 136 Ca 0.08 -0.57 0.14 0.00 -0.01 0.00 0.00 54.79 54.42 1cca n ASP 136 Cb 0.56 -0.14 0.45 0.00 -1.03 0.00 0.00 41.12 40.97 1cca n ASP 136 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1cca n THR 137 N -1.13 0.00 -1.76 2.12 -2.24 -0.23 -4.94 114.28 106.10 1cca n THR 137 Ca 0.19 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 1cca n THR 137 Cb 0.18 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1cca n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cca s THR 138 N -2.16 3.12 0.45 4.28 2.01 -1.09 -4.71 115.64 117.53 1cca s THR 138 Ca 0.33 0.19 -0.25 0.00 0.31 0.00 0.00 61.69 62.28 1cca s THR 138 Cb 0.20 -3.13 -0.08 0.00 0.01 0.00 0.00 72.50 69.51 1cca s THR 138 CO 0.39 -0.02 1.35 -2.16 -0.69 0.00 0.00 174.62 173.50 1cca s PRO 139 N 4.20 3.71 0.61 4.92 0.04 -1.26 -4.99 135.00 142.24 1cca s PRO 139 Ca 0.84 2.25 -0.18 0.00 0.04 0.00 0.00 61.00 63.95 1cca s PRO 139 Cb -0.41 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1cca s PRO 139 CO 0.38 -0.74 1.20 -0.51 0.04 0.00 0.00 177.00 177.38 1cca s ASP 140 N -0.72 5.08 0.77 6.66 1.01 -1.26 -4.71 116.67 123.49 1cca s ASP 140 Ca 0.61 2.36 -0.15 0.00 0.71 0.00 0.00 52.55 56.08 1cca s ASP 140 Cb -0.40 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 40.95 1cca s ASP 140 CO 0.51 -1.67 0.88 0.59 0.21 0.00 0.00 175.17 175.69 1cca n ASN 141 N -1.77 0.02 0.00 0.27 3.02 -1.26 -4.19 115.26 111.35 1cca n ASN 141 Ca 0.13 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1cca n ASN 141 Cb 0.50 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1cca n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cca n GLY 142 N 1.11 0.69 0.11 7.41 0.00 -1.26 -4.99 105.19 108.26 1cca n GLY 142 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1cca n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cca n ARG 143 N -1.50 0.35 -3.34 1.61 1.74 -1.26 -4.93 116.66 109.33 1cca n ARG 143 Ca 0.00 -0.22 -0.30 0.00 -0.77 0.00 0.00 57.85 56.56 1cca n ARG 143 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 1cca n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1cca s LEU 144 N -2.80 4.09 0.40 0.55 1.43 -1.26 -4.75 118.68 116.34 1cca s LEU 144 Ca 0.16 0.84 -0.24 0.00 -1.03 0.00 0.00 54.13 53.87 1cca s LEU 144 Cb 0.18 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 1cca s LEU 144 CO 0.64 -0.15 1.02 -2.16 0.23 0.00 0.00 176.35 175.93 1cca s PRO 145 N -3.22 4.20 0.47 1.29 0.04 -1.26 -5.05 135.00 131.47 1cca s PRO 145 Ca 0.46 1.43 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 1cca s PRO 145 Cb -0.11 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 1cca s PRO 145 CO 0.26 -0.10 0.98 -0.51 0.04 0.00 0.00 177.00 177.67 1cca s ASP 146 N -1.67 6.72 0.05 6.66 1.01 -1.26 -5.01 116.67 123.18 1cca s ASP 146 Ca 0.58 1.68 0.23 0.00 0.71 0.00 0.00 52.55 55.75 1cca s ASP 146 Cb -0.20 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.25 1cca s ASP 146 CO 0.25 -0.51 1.03 0.00 0.21 0.00 0.00 175.17 176.14 1cca n ALA 147 N -1.03 3.36 -0.88 5.23 0.00 -1.26 -4.51 120.51 121.42 1cca n ALA 147 Ca 0.07 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.94 1cca n ALA 147 Cb 0.54 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 19.05 1cca n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cca n ASP 148 N -1.99 6.37 -3.63 0.00 5.75 -1.26 -2.37 116.55 119.43 1cca n ASP 148 Ca 0.02 -3.10 -0.23 0.00 -0.01 0.00 0.00 54.79 51.47 1cca n ASP 148 Cb 0.44 -1.03 -0.07 0.00 -1.03 0.00 0.00 41.12 39.43 1cca n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1cca n LYS 149 N 0.23 0.51 -2.51 0.11 4.76 -1.26 -4.98 118.16 115.02 1cca n LYS 149 Ca 0.32 -3.41 -0.12 0.00 -2.87 0.00 0.00 58.31 52.22 1cca n LYS 149 Cb 0.61 2.21 0.01 0.00 -1.84 0.00 0.00 35.03 36.02 1cca n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1cca n ASP 150 N -1.59 1.69 0.20 4.39 5.75 -1.26 -3.21 116.55 122.52 1cca n ASP 150 Ca -0.01 -1.90 0.06 0.00 -0.01 0.00 0.00 54.79 52.93 1cca n ASP 150 Cb 0.61 -0.06 0.54 0.00 -1.03 0.00 0.00 41.12 41.18 1cca n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cca h ALA 151 N 0.62 1.81 -0.36 2.12 0.00 -1.90 -2.28 119.26 119.27 1cca h ALA 151 Ca -0.16 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1cca h ALA 151 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1cca h ALA 151 CO 0.25 0.14 -0.36 0.78 0.00 0.00 0.00 179.25 180.07 1cca h GLY 152 N 0.32 0.96 0.96 0.00 0.00 -1.97 -1.82 103.07 101.52 1cca h GLY 152 Ca 0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.36 1cca h GLY 152 CO 0.01 0.89 0.17 -1.82 0.00 0.00 0.00 176.54 175.79 1cca h TYR 153 N 0.68 0.44 -0.31 5.60 5.03 -1.86 -2.03 116.97 124.53 1cca h TYR 153 Ca 0.06 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.39 1cca h TYR 153 Cb 0.95 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 39.06 1cca h TYR 153 CO 0.07 0.36 0.09 0.28 -1.32 0.00 0.00 178.16 177.64 1cca h VAL 154 N 0.39 0.90 -0.15 1.81 2.07 -1.29 0.16 116.25 120.14 1cca h VAL 154 Ca 0.11 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1cca h VAL 154 Cb 0.07 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1cca h VAL 154 CO -0.02 0.04 0.06 -0.09 0.02 0.00 0.00 177.57 177.58 1cca h ARG 155 N 0.22 0.14 -0.58 1.57 2.43 -1.28 -1.43 114.38 115.45 1cca h ARG 155 Ca 0.14 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1cca h ARG 155 Cb 0.12 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1cca h ARG 155 CO -0.15 0.09 0.22 1.15 -1.51 0.00 0.00 179.97 179.77 1cca h THR 156 N 0.14 1.23 0.42 0.20 2.02 -1.19 -2.27 112.91 113.45 1cca h THR 156 Ca 0.06 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1cca h THR 156 Cb 0.03 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1cca h THR 156 CO -0.06 0.28 -0.23 0.15 0.37 0.00 0.00 175.52 176.03 1cca h PHE 157 N 0.80 -0.60 0.00 3.16 3.57 -0.55 -3.01 116.94 120.30 1cca h PHE 157 Ca 0.19 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1cca h PHE 157 Cb 0.22 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1cca h PHE 157 CO 0.01 -0.36 0.00 0.74 -2.23 0.00 0.00 178.31 176.47 1cca h PHE 158 N -0.61 0.00 -0.36 0.41 0.04 -1.16 -1.72 116.94 113.54 1cca h PHE 158 Ca -0.05 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.74 1cca h PHE 158 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1cca h PHE 158 CO -0.07 0.00 0.24 0.37 -0.60 0.00 0.00 178.31 178.25 1cca h GLN 159 N 0.00 0.39 0.00 1.51 -0.00 -1.26 -1.67 115.11 114.08 1cca h GLN 159 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1cca h GLN 159 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.73 1cca h GLN 159 CO 0.00 0.26 -0.02 -0.09 0.00 0.00 0.00 178.83 178.97 1cca h ARG 160 N 0.40 0.00 -0.38 1.69 2.43 -1.39 -1.75 114.38 115.39 1cca h ARG 160 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1cca h ARG 160 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1cca h ARG 160 CO -0.03 0.02 0.00 1.28 -1.51 0.00 0.00 179.97 179.73 1cca n LEU 161 N -3.25 3.72 -2.40 3.80 4.77 -0.87 -1.58 117.00 121.19 1cca n LEU 161 Ca -0.02 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 1cca n LEU 161 Cb 0.16 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1cca n LEU 161 CO 0.24 0.72 0.00 -0.46 -1.33 0.00 0.00 177.39 176.56 1cca n ASN 162 N 0.23 0.00 -4.69 -1.43 6.94 -0.66 -4.99 115.26 110.67 1cca n ASN 162 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.40 1cca n ASN 162 Cb 0.72 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 38.05 1cca n ASN 162 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1cca s MET 163 N -2.45 3.90 0.12 -3.83 -1.94 -0.68 -5.01 119.30 109.40 1cca s MET 163 Ca 0.00 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 53.69 1cca s MET 163 Cb 0.00 -3.23 0.02 0.00 2.01 0.00 0.00 34.83 33.63 1cca s MET 163 CO 0.00 0.36 0.16 0.27 -0.01 0.00 0.00 175.02 175.80 1cca n ASN 164 N 3.27 0.25 -0.07 3.03 0.23 -1.26 -4.06 115.26 116.64 1cca n ASN 164 Ca -0.17 -1.20 -0.10 0.00 -0.53 0.00 0.00 54.58 52.59 1cca n ASN 164 Cb 0.53 -0.10 -0.02 0.00 -2.08 0.00 0.00 39.78 38.10 1cca n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cca h ASP 165 N -0.08 0.30 -0.49 0.53 3.32 -1.99 -1.17 116.42 116.83 1cca h ASP 165 Ca -0.05 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1cca h ASP 165 Cb 0.20 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1cca h ASP 165 CO 0.06 0.23 0.30 -0.09 -1.72 0.00 0.00 179.24 178.02 1cca h ARG 166 N 0.34 0.66 -0.63 3.56 2.43 -1.96 -1.03 114.38 117.75 1cca h ARG 166 Ca 0.09 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1cca h ARG 166 Cb -0.03 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1cca h ARG 166 CO -0.02 0.48 0.28 0.93 -1.51 0.00 0.00 179.97 180.13 1cca h GLU 167 N 0.66 0.93 -0.30 0.20 5.08 -1.87 -0.28 114.58 118.99 1cca h GLU 167 Ca 0.18 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1cca h GLU 167 Cb -0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1cca h GLU 167 CO -0.03 0.76 0.19 0.28 -1.00 0.00 0.00 179.01 179.20 1cca h VAL 168 N 0.88 1.10 -0.46 3.13 2.07 -0.91 -1.09 116.25 120.96 1cca h VAL 168 Ca 0.21 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1cca h VAL 168 Cb 0.16 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1cca h VAL 168 CO -0.02 0.10 -0.17 0.58 0.02 0.00 0.00 177.57 178.08 1cca h VAL 169 N 0.39 1.27 -0.18 2.57 2.07 -1.01 -1.92 116.25 119.44 1cca h VAL 169 Ca 0.11 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1cca h VAL 169 Cb -0.00 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1cca h VAL 169 CO -0.02 0.45 0.11 0.00 0.02 0.00 0.00 177.57 178.13 1cca h ALA 170 N 0.86 0.23 -0.70 1.67 0.00 -0.99 -3.01 119.26 117.32 1cca h ALA 170 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1cca h ALA 170 Cb 0.73 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1cca h ALA 170 CO 0.06 -0.27 0.46 -0.07 0.00 0.00 0.00 179.25 179.42 1cca h LEU 171 N 0.22 0.80 -1.87 0.00 4.07 -1.12 -2.06 115.31 115.36 1cca h LEU 171 Ca 0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 1cca h LEU 171 Cb 0.00 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.54 1cca h LEU 171 CO -0.01 0.59 -0.02 -0.03 -1.08 0.00 0.00 178.44 177.88 1cca h MET 172 N 0.95 0.00 0.00 1.13 4.05 -1.22 -2.73 114.93 117.10 1cca h MET 172 Ca 0.25 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 1cca h MET 172 Cb -0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1cca h MET 172 CO -0.05 0.02 0.00 0.78 0.23 0.00 0.00 176.91 177.89 1cca h GLY 173 N 1.44 0.00 2.00 1.39 0.00 -1.28 -0.74 103.07 105.88 1cca h GLY 173 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cca h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1cca h ALA 174 N 2.00 1.00 0.00 3.60 0.00 -1.65 -1.96 119.26 122.25 1cca h ALA 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cca h ALA 174 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cca h ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1cca n HIS 175 N -2.37 0.00 0.31 0.00 8.25 -0.29 -1.38 115.22 119.74 1cca n HIS 175 Ca -0.00 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 1cca n HIS 175 Cb 0.12 -0.07 1.02 0.00 1.12 0.00 0.00 29.99 32.18 1cca n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cca h ALA 176 N 3.11 1.36 -2.66 -1.41 0.00 -1.59 -3.41 119.26 114.66 1cca h ALA 176 Ca 0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1cca h ALA 176 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1cca h ALA 176 CO 0.00 -0.01 -0.17 -0.51 0.00 0.00 0.00 179.25 178.56 1cca s LEU 177 N -7.15 4.43 0.00 0.00 1.43 -0.48 -4.26 118.68 112.65 1cca s LEU 177 Ca -0.05 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1cca s LEU 177 Cb 0.14 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1cca s LEU 177 CO 0.50 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.94 1cca n GLY 178 N 1.44 1.66 3.72 -3.19 0.00 0.06 -4.92 105.19 103.96 1cca n GLY 178 Ca -0.11 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 1cca n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cca s LYS 179 N 0.00 1.23 0.23 1.61 -2.85 -1.26 -4.27 119.74 114.43 1cca s LYS 179 Ca 0.00 -0.65 -0.13 0.00 -1.00 0.00 0.00 55.97 54.20 1cca s LYS 179 Cb 0.00 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.13 1cca s LYS 179 CO 0.00 -0.56 0.60 0.95 0.10 0.00 0.00 175.35 176.44 1cca s THR 180 N -3.37 4.84 -0.13 3.79 -4.23 -0.35 -4.96 115.64 111.23 1cca s THR 180 Ca 0.11 0.71 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 1cca s THR 180 Cb -0.02 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.18 1cca s THR 180 CO 0.01 -0.01 -0.15 -1.00 -0.54 0.00 0.00 174.62 172.93 1cca s HIS 181 N -1.76 2.09 0.21 3.99 0.09 -1.08 -2.17 115.29 116.67 1cca s HIS 181 Ca 0.46 -1.06 -0.09 0.00 -0.00 0.00 0.00 55.06 54.37 1cca s HIS 181 Cb -0.12 -1.51 0.29 0.00 -0.00 0.00 0.00 32.58 31.23 1cca s HIS 181 CO 0.20 -0.56 1.75 1.25 -0.00 0.00 0.00 174.74 177.38 1cca h LEU 182 N 7.65 0.25 -1.71 0.89 5.85 -1.52 -0.86 115.31 125.86 1cca h LEU 182 Ca -0.34 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1cca h LEU 182 Cb 1.16 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1cca h LEU 182 CO 0.51 0.15 -0.09 0.50 -0.34 0.00 0.00 178.44 179.16 1cca h LYS 183 N 0.43 0.00 0.02 1.25 3.64 -1.97 -1.20 116.57 118.74 1cca h LYS 183 Ca 0.31 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1cca h LYS 183 Cb 0.38 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1cca h LYS 183 CO -0.30 0.09 -0.76 -0.91 -2.27 0.00 0.00 179.45 175.30 1cca h ASN 184 N 0.00 0.08 0.00 4.20 2.35 -1.51 -3.44 115.58 117.26 1cca h ASN 184 Ca -0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 1cca h ASN 184 Cb 0.45 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1cca h ASN 184 CO 0.01 1.31 0.00 -1.54 -1.65 0.00 0.00 177.43 175.56 1cca n SER 185 N -4.41 0.58 -0.00 5.81 3.41 -0.87 -4.76 113.62 113.39 1cca n SER 185 Ca -0.21 -0.83 -0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1cca n SER 185 Cb 0.64 0.23 -0.00 0.00 -0.26 0.00 0.00 64.21 64.83 1cca n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cca n GLY 186 N 0.23 0.49 3.30 5.00 0.00 -0.46 -5.04 105.19 108.72 1cca n GLY 186 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1cca n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cca s TYR 187 N -1.99 1.77 -0.06 1.61 2.02 -1.26 -4.62 117.35 114.82 1cca s TYR 187 Ca 0.00 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1cca s TYR 187 Cb 0.00 -0.93 0.04 0.00 -0.40 0.00 0.00 41.96 40.67 1cca s TYR 187 CO 0.00 0.26 0.12 -2.00 -1.57 0.00 0.00 175.55 172.36 1cca s GLU 188 N -2.36 0.04 0.00 -0.62 2.56 -1.26 -1.18 118.70 115.88 1cca s GLU 188 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 54.97 55.45 1cca s GLU 188 Cb -0.08 -0.24 0.00 0.00 2.00 0.00 0.00 34.13 35.81 1cca s GLU 188 CO 0.05 -0.21 0.00 0.41 -0.56 0.00 0.00 175.26 174.95 1cca n GLY 189 N 4.51 3.93 3.88 -1.50 0.00 -0.92 -4.90 105.19 110.19 1cca n GLY 189 Ca -0.21 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 1cca n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cca s PRO 190 N -3.00 3.43 0.12 1.61 0.04 -1.26 -1.21 135.00 134.72 1cca s PRO 190 Ca 0.00 0.64 0.24 0.00 0.04 0.00 0.00 61.00 61.92 1cca s PRO 190 Cb 0.00 -2.09 0.41 0.00 0.04 0.00 0.00 34.50 32.86 1cca s PRO 190 CO 0.00 -0.65 1.37 0.91 0.04 0.00 0.00 177.00 178.68 1cca n TRP 191 N -2.77 0.56 -3.50 0.56 8.01 -1.26 -0.81 117.44 118.23 1cca n TRP 191 Ca 0.06 0.16 -0.01 0.00 -1.31 0.00 0.00 57.50 56.40 1cca n TRP 191 Cb 0.55 -0.66 0.01 0.00 -2.01 0.00 0.00 31.31 29.19 1cca n TRP 191 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1cca n GLY 192 N 1.34 1.22 0.13 6.99 0.00 -1.26 -4.66 105.19 108.95 1cca n GLY 192 Ca 0.04 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1cca n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cca h ALA 193 N 2.00 0.31 -0.75 4.61 0.00 -1.95 -3.41 119.26 120.07 1cca h ALA 193 Ca -0.08 -1.25 -0.75 0.00 0.00 0.00 0.00 54.91 52.83 1cca h ALA 193 Cb 0.36 0.64 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1cca h ALA 193 CO 0.11 1.02 2.24 0.00 0.00 0.00 0.00 179.25 182.62 1cca n ALA 194 N -3.08 6.49 1.09 0.00 0.00 -1.26 -4.83 120.51 118.92 1cca n ALA 194 Ca -0.30 -4.17 0.01 0.00 0.00 0.00 0.00 53.44 48.99 1cca n ALA 194 Cb 0.92 -2.77 0.04 0.00 0.00 0.00 0.00 19.45 17.65 1cca n ALA 194 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cca n ASN 195 N 1.98 1.19 -1.37 0.00 2.04 -1.26 -3.04 115.26 114.81 1cca n ASN 195 Ca 0.57 -2.07 0.04 0.00 -0.44 0.00 0.00 54.58 52.68 1cca n ASN 195 Cb 0.27 -0.37 0.03 0.00 -2.53 0.00 0.00 39.78 37.18 1cca n ASN 195 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1cca n ASN 196 N -0.03 1.00 -4.04 0.53 0.23 -1.26 -0.76 115.26 110.93 1cca n ASN 196 Ca 0.03 -2.14 -0.24 0.00 -0.53 0.00 0.00 54.58 51.69 1cca n ASN 196 Cb 0.27 -0.31 -0.16 0.00 -2.08 0.00 0.00 39.78 37.49 1cca n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1cca s VAL 197 N -0.25 1.16 -0.50 3.53 1.01 -1.17 -4.78 120.40 119.40 1cca s VAL 197 Ca 0.32 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 1cca s VAL 197 Cb 0.37 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1cca s VAL 197 CO -0.15 0.36 0.99 0.12 0.00 0.00 0.00 175.10 176.41 1cca s PHE 198 N 0.50 2.84 0.36 5.22 2.19 0.01 -4.82 117.98 124.27 1cca s PHE 198 Ca -0.12 0.34 0.07 0.00 0.33 0.00 0.00 56.93 57.56 1cca s PHE 198 Cb -0.14 -4.12 -0.03 0.00 -1.31 0.00 0.00 43.02 37.42 1cca s PHE 198 CO 0.03 -1.24 0.26 0.25 1.83 0.00 0.00 175.22 176.36 1cca n THR 199 N 6.46 0.00 0.58 0.12 -2.24 -1.26 -4.55 114.28 113.39 1cca n THR 199 Ca 0.06 -2.50 -0.00 0.00 -2.27 0.00 0.00 64.05 59.34 1cca n THR 199 Cb 0.48 1.18 0.07 0.00 -2.10 0.00 0.00 70.33 69.97 1cca n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1cca n ASN 200 N -1.62 2.28 -0.18 3.42 6.94 -1.26 -4.51 115.26 120.33 1cca n ASN 200 Ca 0.05 -2.23 0.07 0.00 -0.02 0.00 0.00 54.58 52.45 1cca n ASN 200 Cb 0.62 -0.55 0.37 0.00 -2.36 0.00 0.00 39.78 37.86 1cca n ASN 200 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1cca h GLU 201 N 0.69 0.70 -0.84 -3.83 4.81 -1.95 -2.53 114.58 111.63 1cca h GLU 201 Ca 0.03 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.37 1cca h GLU 201 Cb 0.96 -0.16 -0.10 0.00 0.63 0.00 0.00 28.75 30.08 1cca h GLU 201 CO 0.14 0.47 0.41 0.35 -0.73 0.00 0.00 179.01 179.64 1cca h PHE 202 N 0.73 0.71 -0.14 0.92 3.57 -1.85 -0.42 116.94 120.46 1cca h PHE 202 Ca 0.32 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.77 1cca h PHE 202 Cb 0.32 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1cca h PHE 202 CO -0.00 0.14 -0.26 1.88 -2.23 0.00 0.00 178.31 177.84 1cca h TYR 203 N 0.57 0.53 -0.43 0.41 0.05 -1.82 -1.20 116.97 115.10 1cca h TYR 203 Ca 0.46 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1cca h TYR 203 Cb 0.68 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1cca h TYR 203 CO -0.11 0.89 0.27 -0.07 -1.05 0.00 0.00 178.16 178.09 1cca h LEU 204 N 0.03 0.50 -0.49 3.88 3.38 -1.43 -0.99 115.31 120.18 1cca h LEU 204 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1cca h LEU 204 Cb 0.85 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1cca h LEU 204 CO 0.06 0.38 0.30 0.78 0.09 0.00 0.00 178.44 180.05 1cca h ASN 205 N 0.57 0.59 -0.96 -0.43 2.35 -1.04 0.16 115.58 116.81 1cca h ASN 205 Ca 0.15 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1cca h ASN 205 Cb -0.04 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 1cca h ASN 205 CO -0.03 0.48 0.64 0.25 -1.65 0.00 0.00 177.43 177.11 1cca h LEU 206 N 0.66 1.08 0.00 1.61 5.85 -0.88 -1.96 115.31 121.68 1cca h LEU 206 Ca 0.18 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 1cca h LEU 206 Cb -0.01 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1cca h LEU 206 CO -0.03 0.76 -0.87 -0.07 -0.34 0.00 0.00 178.44 177.89 1cca h LEU 207 N 1.27 0.00 -0.02 2.25 3.38 -0.81 -3.40 115.31 117.98 1cca h LEU 207 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1cca h LEU 207 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1cca h LEU 207 CO -0.10 0.71 -0.57 0.59 0.09 0.00 0.00 178.44 179.17 1cca n ASN 208 N -3.21 0.60 -4.88 -0.43 5.03 0.51 -5.00 115.26 107.89 1cca n ASN 208 Ca -0.02 -0.80 -0.31 0.00 0.87 0.00 0.00 54.58 54.33 1cca n ASN 208 Cb 0.84 0.98 -0.04 0.00 -1.02 0.00 0.00 39.78 40.54 1cca n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1cca s GLU 209 N -2.14 3.80 -1.02 3.52 0.41 -0.75 -5.00 118.70 117.52 1cca s GLU 209 Ca 0.05 0.38 -0.19 0.00 -0.41 0.00 0.00 54.97 54.80 1cca s GLU 209 Cb 0.09 -2.50 0.12 0.00 -1.78 0.00 0.00 34.13 30.06 1cca s GLU 209 CO 0.50 0.13 1.28 0.34 -0.49 0.00 0.00 175.26 177.02 1cca s ASP 210 N -2.80 6.69 -0.02 -0.19 2.15 -1.26 -5.00 116.67 116.23 1cca s ASP 210 Ca 0.50 -2.10 -0.30 0.00 0.43 0.00 0.00 52.55 51.08 1cca s ASP 210 Cb -0.11 -2.45 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1cca s ASP 210 CO 0.26 -1.11 1.05 0.26 -0.17 0.00 0.00 175.17 175.46 1cca s TRP 211 N 3.08 3.54 -0.16 -5.34 0.52 -1.26 -4.14 118.94 115.18 1cca s TRP 211 Ca 0.38 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 58.05 1cca s TRP 211 Cb -0.03 -3.22 -0.01 0.00 -1.15 0.00 0.00 33.47 29.06 1cca s TRP 211 CO -0.07 -0.42 -0.12 0.21 0.02 0.00 0.00 176.95 176.56 1cca s LYS 212 N 1.37 3.32 -0.06 4.98 2.20 0.65 -4.88 119.74 127.31 1cca s LYS 212 Ca 0.53 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 55.14 1cca s LYS 212 Cb -0.22 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 1cca s LYS 212 CO 0.25 0.06 1.37 -1.17 -0.36 0.00 0.00 175.35 175.51 1cca s LEU 213 N 0.73 4.28 0.08 5.43 2.96 -1.26 -0.61 118.68 130.29 1cca s LEU 213 Ca -0.06 1.97 0.01 0.00 -0.22 0.00 0.00 54.13 55.84 1cca s LEU 213 Cb -0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1cca s LEU 213 CO 0.01 -0.74 -0.06 -1.61 -1.32 0.00 0.00 176.35 172.64 1cca s GLU 214 N 2.91 0.73 0.07 1.98 2.02 -0.12 -4.96 118.70 121.33 1cca s GLU 214 Ca 0.62 -1.21 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 1cca s GLU 214 Cb -0.28 -0.11 -0.06 0.00 0.10 0.00 0.00 34.13 33.77 1cca s GLU 214 CO 0.23 -0.03 0.52 0.15 0.02 0.00 0.00 175.26 176.15 1cca s LYS 215 N -3.48 4.08 0.40 1.61 1.02 -1.26 -1.08 119.74 121.03 1cca s LYS 215 Ca 0.07 0.60 0.04 0.00 0.02 0.00 0.00 55.97 56.70 1cca s LYS 215 Cb 0.03 -3.17 0.07 0.00 -0.52 0.00 0.00 37.83 34.25 1cca s LYS 215 CO -0.05 0.62 0.55 0.27 -0.92 0.00 0.00 175.35 175.82 1cca n ASN 216 N 1.55 1.14 0.21 2.83 0.23 0.04 -4.95 115.26 116.32 1cca n ASN 216 Ca -0.10 -1.87 0.15 0.00 -0.53 0.00 0.00 54.58 52.22 1cca n ASN 216 Cb 0.51 -0.32 0.73 0.00 -2.08 0.00 0.00 39.78 38.62 1cca n ASN 216 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1cca h ASP 217 N -0.11 0.00 -0.29 0.53 3.32 -1.92 -1.54 116.42 116.41 1cca h ASP 217 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1cca h ASP 217 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1cca h ASP 217 CO 0.24 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1cca n ALA 218 N -1.88 2.47 -1.41 3.45 0.00 -1.26 -4.92 120.51 116.96 1cca n ALA 218 Ca -0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 53.44 52.67 1cca n ALA 218 Cb 0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1cca n ALA 218 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cca n ASN 219 N 0.64 -3.97 -4.85 0.00 5.03 -0.58 -5.04 115.26 106.50 1cca n ASN 219 Ca 0.16 0.19 -0.30 0.00 0.87 0.00 0.00 54.58 55.50 1cca n ASN 219 Cb 0.38 -2.44 -0.05 0.00 -1.02 0.00 0.00 39.78 36.65 1cca n ASN 219 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1cca s ASN 220 N -2.85 5.93 0.16 6.41 0.02 -1.26 -4.85 114.94 118.49 1cca s ASN 220 Ca 0.00 0.12 -0.18 0.00 -1.02 0.00 0.00 52.86 51.78 1cca s ASN 220 Cb 0.00 -1.71 -0.07 0.00 0.02 0.00 0.00 41.25 39.49 1cca s ASN 220 CO 0.00 0.16 0.63 -1.61 0.02 0.00 0.00 177.10 176.30 1cca s GLU 221 N -2.49 4.14 0.09 -0.60 2.02 -1.26 -0.78 118.70 119.81 1cca s GLU 221 Ca 0.32 0.70 -0.12 0.00 0.02 0.00 0.00 54.97 55.89 1cca s GLU 221 Cb -0.12 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.14 1cca s GLU 221 CO 0.25 0.48 0.27 1.14 0.02 0.00 0.00 175.26 177.42 1cca s GLN 222 N -1.79 0.89 -0.30 1.61 -2.07 -0.24 -4.56 119.66 113.20 1cca s GLN 222 Ca 0.38 -0.77 -0.20 0.00 -1.82 0.00 0.00 55.36 52.96 1cca s GLN 222 Cb -0.17 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.12 1cca s GLN 222 CO 0.20 -0.30 0.59 -1.58 -1.32 0.00 0.00 175.29 172.88 1cca s TRP 223 N -3.49 3.22 -0.06 9.60 0.52 -0.51 -0.94 118.94 127.28 1cca s TRP 223 Ca 0.02 0.53 -0.00 0.00 0.02 0.00 0.00 56.10 56.67 1cca s TRP 223 Cb 0.02 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1cca s TRP 223 CO -0.09 -0.45 -0.02 -0.51 0.02 0.00 0.00 176.95 175.90 1cca s ASP 224 N 1.64 5.02 0.27 2.95 1.01 0.22 -0.66 116.67 127.13 1cca s ASP 224 Ca 0.23 0.05 0.09 0.00 0.71 0.00 0.00 52.55 53.64 1cca s ASP 224 Cb -0.15 -1.34 -0.04 0.00 1.01 0.00 0.00 42.92 42.40 1cca s ASP 224 CO 0.12 0.35 0.01 -0.94 0.21 0.00 0.00 175.17 174.91 1cca s SER 225 N -1.06 4.56 0.33 0.27 1.04 -0.30 -0.25 113.70 118.29 1cca s SER 225 Ca 0.15 -0.66 0.12 0.00 0.48 0.00 0.00 55.95 56.03 1cca s SER 225 Cb -0.11 -0.83 0.95 0.00 0.10 0.00 0.00 66.02 66.13 1cca s SER 225 CO 0.04 -0.03 1.72 0.11 0.98 0.00 0.00 173.24 176.07 1cca h LYS 226 N 1.85 0.50 0.00 4.02 6.56 -1.90 -1.53 116.57 126.07 1cca h LYS 226 Ca -0.44 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 1cca h LYS 226 Cb 1.25 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 1cca h LYS 226 CO 0.61 0.33 0.00 0.43 -2.06 0.00 0.00 179.45 178.76 1cca n SER 227 N -4.87 0.00 0.00 0.86 7.64 -1.26 -4.84 113.62 111.15 1cca n SER 227 Ca 0.28 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1cca n SER 227 Cb 0.81 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1cca n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cca n GLY 228 N -1.00 0.73 3.96 0.23 0.00 -0.58 -5.08 105.19 103.46 1cca n GLY 228 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1cca n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cca s TYR 229 N -2.00 3.30 0.15 1.61 2.02 -1.26 -4.59 117.35 116.58 1cca s TYR 229 Ca 0.00 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1cca s TYR 229 Cb 0.00 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 1cca s TYR 229 CO 0.00 0.29 -0.04 0.00 -1.57 0.00 0.00 175.55 174.23 1cca s MET 230 N -4.04 1.05 -0.02 -0.62 0.23 0.01 -1.15 119.30 114.77 1cca s MET 230 Ca 0.38 -1.48 0.01 0.00 -1.03 0.00 0.00 55.69 53.57 1cca s MET 230 Cb -0.09 -0.36 0.01 0.00 -1.53 0.00 0.00 34.83 32.86 1cca s MET 230 CO 0.29 -0.05 -0.02 -1.64 -2.03 0.00 0.00 175.02 171.57 1cca s MET 231 N -3.85 0.36 0.59 3.16 -1.94 0.16 -4.26 119.30 113.52 1cca s MET 231 Ca 0.20 -0.04 -0.16 0.00 -1.71 0.00 0.00 55.69 53.98 1cca s MET 231 Cb 0.05 -0.43 -0.04 0.00 2.01 0.00 0.00 34.83 36.42 1cca s MET 231 CO 0.01 -0.03 1.07 -0.51 -0.01 0.00 0.00 175.02 175.55 1cca s LEU 232 N 0.51 3.52 0.30 -0.03 1.43 -1.26 -1.42 118.68 121.72 1cca s LEU 232 Ca -0.05 1.86 0.05 0.00 -1.03 0.00 0.00 54.13 54.96 1cca s LEU 232 Cb -0.08 -4.54 0.79 0.00 0.03 0.00 0.00 46.19 42.39 1cca s LEU 232 CO -0.01 -1.20 1.65 -0.65 0.23 0.00 0.00 176.35 176.38 1cca h PRO 233 N 0.51 0.24 -0.01 1.29 0.11 -1.80 -0.52 132.00 131.83 1cca h PRO 233 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1cca h PRO 233 Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1cca h PRO 233 CO 0.57 0.16 -0.27 1.79 -0.21 0.00 0.00 178.00 180.04 1cca h THR 234 N 0.25 1.20 -0.09 -1.15 1.35 -1.43 -0.65 112.91 112.39 1cca h THR 234 Ca 0.59 -0.97 -0.07 0.00 -0.55 0.00 0.00 66.41 65.42 1cca h THR 234 Cb 1.22 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1cca h THR 234 CO -0.63 0.28 -0.20 0.44 -0.25 0.00 0.00 175.52 175.16 1cca h ASP 235 N 0.02 0.33 0.11 5.36 3.32 -1.45 -3.19 116.42 120.92 1cca h ASP 235 Ca 0.00 -0.57 -0.04 0.00 0.02 0.00 0.00 57.03 56.45 1cca h ASP 235 Cb 0.50 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1cca h ASP 235 CO 0.04 0.84 -0.14 0.22 -1.72 0.00 0.00 179.24 178.48 1cca h TYR 236 N -0.16 0.07 -1.23 4.55 3.20 -1.09 -1.76 116.97 120.55 1cca h TYR 236 Ca 0.00 -0.01 0.36 0.00 3.14 0.00 0.00 58.73 62.23 1cca h TYR 236 Cb 0.79 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.94 1cca h TYR 236 CO 0.11 0.21 0.82 0.77 -1.64 0.00 0.00 178.16 178.43 1cca h SER 237 N 0.07 0.26 0.48 -2.11 0.02 -1.10 -0.99 113.55 110.18 1cca h SER 237 Ca 0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1cca h SER 237 Cb 0.29 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1cca h SER 237 CO 0.02 -0.03 0.00 -0.07 -1.14 0.00 0.00 176.83 175.60 1cca h LEU 238 N 0.18 0.00 -0.74 5.07 3.38 -1.42 -1.43 115.31 120.34 1cca h LEU 238 Ca 0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.66 1cca h LEU 238 Cb 2.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.93 1cca h LEU 238 CO -0.27 0.00 -0.46 2.30 0.09 0.00 0.00 178.44 180.09 1cca n ILE 239 N -2.78 0.00 0.01 1.22 -5.35 -0.38 -2.06 119.36 110.03 1cca n ILE 239 Ca -0.01 -0.27 -0.08 0.00 -0.27 0.00 0.00 62.75 62.13 1cca n ILE 239 Cb 0.17 1.17 -0.13 0.00 -1.74 0.00 0.00 39.64 39.11 1cca n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1cca h GLN 240 N 1.62 0.01 -5.91 6.28 4.20 -1.25 -3.46 115.11 116.60 1cca h GLN 240 Ca 0.00 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.13 1cca h GLN 240 Cb 0.58 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.29 1cca h GLN 240 CO 0.00 0.71 0.14 0.34 -0.67 0.00 0.00 178.83 179.36 1cca s ASP 241 N -6.36 6.89 0.34 1.46 -1.08 -0.82 -4.99 116.67 112.11 1cca s ASP 241 Ca -0.03 1.08 0.03 0.00 -0.52 0.00 0.00 52.55 53.11 1cca s ASP 241 Cb 0.09 -2.40 0.62 0.00 -1.46 0.00 0.00 42.92 39.76 1cca s ASP 241 CO 0.82 -0.21 1.96 1.55 0.52 0.00 0.00 175.17 179.81 1cca h PRO 242 N 7.05 0.73 -0.10 4.34 0.13 -1.92 -0.43 132.00 141.80 1cca h PRO 242 Ca -0.36 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1cca h PRO 242 Cb 1.17 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1cca h PRO 242 CO 0.78 0.56 -0.08 0.87 -0.23 0.00 0.00 178.00 179.90 1cca h LYS 243 N 0.73 0.23 -0.77 0.86 1.57 -1.95 -3.00 116.57 114.25 1cca h LYS 243 Ca 0.18 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1cca h LYS 243 Cb 0.07 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1cca h LYS 243 CO -0.03 0.62 0.39 1.88 -0.57 0.00 0.00 179.45 181.75 1cca h TYR 244 N -0.15 1.08 -0.87 -1.35 0.05 -1.75 -2.93 116.97 111.06 1cca h TYR 244 Ca 0.02 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.77 1cca h TYR 244 Cb 0.56 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 1cca h TYR 244 CO 0.08 0.78 0.57 1.25 -1.05 0.00 0.00 178.16 179.79 1cca h LEU 245 N 1.07 0.98 -1.26 3.88 5.85 -0.49 -0.72 115.31 124.62 1cca h LEU 245 Ca 0.27 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1cca h LEU 245 Cb 0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1cca h LEU 245 CO -0.04 0.70 -0.09 0.77 -0.34 0.00 0.00 178.44 179.45 1cca h SER 246 N 1.15 0.37 -0.11 1.25 4.64 -1.37 -2.07 113.55 117.42 1cca h SER 246 Ca 0.32 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.41 1cca h SER 246 Cb -0.10 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1cca h SER 246 CO -0.08 0.51 -0.53 0.40 -0.87 0.00 0.00 176.83 176.26 1cca h ILE 247 N 0.37 1.36 -0.60 0.95 2.04 -1.37 -2.59 117.51 117.68 1cca h ILE 247 Ca 0.08 -1.84 0.11 0.00 1.00 0.00 0.00 64.86 64.20 1cca h ILE 247 Cb 0.39 2.18 -0.08 0.00 -0.74 0.00 0.00 36.82 38.56 1cca h ILE 247 CO 0.02 0.56 0.13 0.58 0.00 0.00 0.00 178.15 179.44 1cca h VAL 248 N 0.16 0.65 -0.79 1.67 2.07 -0.97 -1.72 116.25 117.32 1cca h VAL 248 Ca -0.04 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1cca h VAL 248 Cb 1.17 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1cca h VAL 248 CO 0.11 0.05 0.52 0.11 0.02 0.00 0.00 177.57 178.38 1cca h LYS 249 N 0.26 1.04 -0.14 1.57 1.57 -1.35 -0.36 116.57 119.16 1cca h LYS 249 Ca 0.31 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1cca h LYS 249 Cb 0.46 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1cca h LYS 249 CO -0.40 0.69 0.08 1.49 -0.57 0.00 0.00 179.45 180.74 1cca h GLU 250 N 1.07 0.19 -0.07 3.15 4.81 -0.93 -1.72 114.58 121.09 1cca h GLU 250 Ca 0.29 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 1cca h GLU 250 Cb -0.12 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1cca h GLU 250 CO -0.06 0.20 -0.66 1.88 -0.73 0.00 0.00 179.01 179.63 1cca h TYR 251 N 0.13 0.39 -0.70 0.92 0.05 -1.04 -0.52 116.97 116.20 1cca h TYR 251 Ca 0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 1cca h TYR 251 Cb 0.06 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1cca h TYR 251 CO -0.04 0.87 0.35 0.00 -1.05 0.00 0.00 178.16 178.28 1cca h ALA 252 N 1.09 1.30 0.00 3.88 0.00 -1.02 -2.77 119.26 121.75 1cca h ALA 252 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1cca h ALA 252 Cb 1.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1cca h ALA 252 CO 0.11 0.55 -0.39 0.09 0.00 0.00 0.00 179.25 179.61 1cca n ASN 253 N -4.34 0.56 -3.37 0.00 3.02 -0.65 -4.72 115.26 105.76 1cca n ASN 253 Ca 0.07 0.16 -0.17 0.00 -0.03 0.00 0.00 54.58 54.61 1cca n ASN 253 Cb 0.12 -0.08 -0.08 0.00 -0.61 0.00 0.00 39.78 39.13 1cca n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1cca s ASP 254 N -3.77 1.27 0.36 6.41 -1.08 -0.23 -5.00 116.67 114.62 1cca s ASP 254 Ca 0.09 -1.42 0.03 0.00 -0.52 0.00 0.00 52.55 50.73 1cca s ASP 254 Cb 0.15 0.55 0.66 0.00 -1.46 0.00 0.00 42.92 42.82 1cca s ASP 254 CO 0.66 -0.28 2.01 -0.61 0.52 0.00 0.00 175.17 177.47 1cca h GLN 255 N 7.30 0.81 -0.66 4.34 4.15 -1.84 -1.82 115.11 127.38 1cca h GLN 255 Ca 0.01 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1cca h GLN 255 Cb 1.06 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 1cca h GLN 255 CO 0.23 0.53 0.35 -0.44 -1.93 0.00 0.00 178.83 177.57 1cca h ASP 256 N 0.83 0.83 -0.43 -0.69 3.32 -1.94 0.88 116.42 119.22 1cca h ASP 256 Ca 0.24 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1cca h ASP 256 Cb -0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1cca h ASP 256 CO -0.06 0.70 0.16 0.50 -1.72 0.00 0.00 179.24 178.82 1cca h LYS 257 N 0.90 0.66 -0.40 3.56 1.63 -1.86 -1.53 116.57 119.53 1cca h LYS 257 Ca 0.23 -0.13 0.06 0.00 -0.85 0.00 0.00 60.65 59.96 1cca h LYS 257 Cb 0.06 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.54 1cca h LYS 257 CO -0.04 0.62 0.11 0.35 -3.45 0.00 0.00 179.45 177.04 1cca h PHE 258 N 0.56 0.18 -0.48 1.91 3.57 -0.91 -1.32 116.94 120.44 1cca h PHE 258 Ca 0.14 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1cca h PHE 258 Cb 0.22 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1cca h PHE 258 CO 0.00 0.05 0.28 0.74 -2.23 0.00 0.00 178.31 177.15 1cca h PHE 259 N 0.25 0.52 -0.42 0.41 -1.00 -0.49 0.16 116.94 116.37 1cca h PHE 259 Ca 0.19 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.98 1cca h PHE 259 Cb 0.21 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1cca h PHE 259 CO -0.18 0.29 0.23 -0.22 -1.61 0.00 0.00 178.31 176.82 1cca h LYS 260 N 0.56 0.59 -0.20 1.51 3.64 -1.14 -0.74 116.57 120.78 1cca h LYS 260 Ca 0.20 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.31 1cca h LYS 260 Cb 0.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1cca h LYS 260 CO -0.10 0.47 -0.67 -0.44 -2.27 0.00 0.00 179.45 176.44 1cca h ASP 261 N 0.55 0.89 -0.81 4.20 5.19 -0.98 -2.78 116.42 122.68 1cca h ASP 261 Ca 0.15 -0.53 -0.00 0.00 -0.62 0.00 0.00 57.03 56.02 1cca h ASP 261 Cb 0.06 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.27 1cca h ASP 261 CO -0.02 1.32 0.50 0.15 -3.12 0.00 0.00 179.24 178.06 1cca h PHE 262 N 0.56 1.05 0.04 4.55 3.57 -0.65 -1.37 116.94 124.69 1cca h PHE 262 Ca -0.02 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.49 1cca h PHE 262 Cb 1.28 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1cca h PHE 262 CO 0.07 0.70 -0.09 1.03 -2.23 0.00 0.00 178.31 177.79 1cca h SER 263 N 1.10 -0.25 -0.19 0.41 0.87 -1.02 0.03 113.55 114.50 1cca h SER 263 Ca 0.29 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1cca h SER 263 Cb -0.06 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1cca h SER 263 CO -0.06 -0.14 0.11 0.11 -0.53 0.00 0.00 176.83 176.32 1cca h LYS 264 N -0.18 0.22 -0.26 2.24 1.57 -1.44 -2.46 116.57 116.26 1cca h LYS 264 Ca 0.02 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 1cca h LYS 264 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1cca h LYS 264 CO -0.06 0.14 -0.31 0.00 -0.57 0.00 0.00 179.45 178.66 1cca h ALA 265 N 1.08 0.99 -0.27 3.86 0.00 -1.06 -1.86 119.26 122.02 1cca h ALA 265 Ca 0.07 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1cca h ALA 265 Cb -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1cca h ALA 265 CO -0.04 0.60 -0.45 0.35 0.00 0.00 0.00 179.25 179.71 1cca h PHE 266 N 0.46 0.97 -0.30 0.00 3.57 -0.93 -1.03 116.94 119.68 1cca h PHE 266 Ca 0.06 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1cca h PHE 266 Cb 0.76 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1cca h PHE 266 CO 0.03 1.14 0.19 1.49 -2.23 0.00 0.00 178.31 178.93 1cca h GLU 267 N 0.53 0.40 -0.65 1.11 4.81 -1.42 -1.24 114.58 118.11 1cca h GLU 267 Ca 0.02 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1cca h GLU 267 Cb 1.06 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1cca h GLU 267 CO 0.10 0.27 0.32 -0.22 -0.73 0.00 0.00 179.01 178.75 1cca h LYS 268 N 0.40 0.55 -0.47 1.92 3.64 -1.25 -1.00 116.57 120.35 1cca h LYS 268 Ca 0.11 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1cca h LYS 268 Cb -0.04 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1cca h LYS 268 CO -0.02 0.36 0.30 1.25 -2.27 0.00 0.00 179.45 179.07 1cca h LEU 269 N 0.57 0.52 -1.29 5.20 5.85 -0.89 -0.66 115.31 124.60 1cca h LEU 269 Ca 0.31 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1cca h LEU 269 Cb 0.30 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1cca h LEU 269 CO -0.24 0.37 0.00 -0.07 -0.34 0.00 0.00 178.44 178.16 1cca h LEU 270 N 0.62 0.00 -0.18 2.25 3.38 -0.76 -3.27 115.31 117.35 1cca h LEU 270 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1cca h LEU 270 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1cca h LEU 270 CO -0.05 0.00 -0.65 -0.62 0.09 0.00 0.00 178.44 177.20 1cca n GLU 271 N -2.94 1.84 -1.61 1.13 1.02 -0.42 -4.67 120.64 114.99 1cca n GLU 271 Ca 0.01 -0.16 -0.48 0.00 -0.02 0.00 0.00 57.16 56.50 1cca n GLU 271 Cb 0.30 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.44 1cca n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cca n ASN 272 N -1.11 1.80 0.00 1.62 3.02 -0.29 -2.19 115.26 118.11 1cca n ASN 272 Ca 0.04 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 1cca n ASN 272 Cb 0.26 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 1cca n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cca n GLY 273 N 2.18 0.99 3.40 7.41 0.00 -1.26 -4.50 105.19 113.41 1cca n GLY 273 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1cca n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cca s ILE 274 N -2.65 3.46 -0.23 -0.61 1.01 -0.93 -4.19 121.20 117.06 1cca s ILE 274 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.99 1cca s ILE 274 Cb 0.00 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1cca s ILE 274 CO 0.00 0.48 0.43 -0.89 0.00 0.00 0.00 174.94 174.97 1cca s THR 275 N 0.68 5.15 -0.32 2.92 2.01 -0.09 -4.95 115.64 121.04 1cca s THR 275 Ca -0.04 0.75 -0.12 0.00 0.31 0.00 0.00 61.69 62.59 1cca s THR 275 Cb -0.15 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1cca s THR 275 CO 0.02 0.19 0.22 -0.36 -0.69 0.00 0.00 174.62 174.00 1cca s PHE 276 N 1.73 3.22 0.56 4.92 0.08 -1.26 -1.00 117.98 126.23 1cca s PHE 276 Ca 0.19 -0.14 -0.21 0.00 0.12 0.00 0.00 56.93 56.89 1cca s PHE 276 Cb -0.15 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1cca s PHE 276 CO 0.09 -0.31 1.30 -2.14 -0.10 0.00 0.00 175.22 174.06 1cca s PRO 277 N 1.73 3.11 0.00 0.24 0.02 -1.26 -4.91 135.00 133.93 1cca s PRO 277 Ca 0.06 2.09 0.21 0.00 0.02 0.00 0.00 61.00 63.38 1cca s PRO 277 Cb -0.17 -2.17 1.26 0.00 0.02 0.00 0.00 34.50 33.44 1cca s PRO 277 CO 0.10 -1.16 1.77 1.17 -0.33 0.00 0.00 177.00 178.55 1cca n LYS 278 N -1.16 0.93 0.26 5.54 4.81 -1.26 -1.44 118.16 125.84 1cca n LYS 278 Ca 0.11 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.71 1cca n LYS 278 Cb 0.46 -1.36 0.53 0.00 0.02 0.00 0.00 35.03 34.69 1cca n LYS 278 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1cca h ASP 279 N 0.00 0.00 -4.05 3.14 3.04 -2.03 -3.46 116.42 113.06 1cca h ASP 279 Ca 0.00 0.00 -0.55 0.00 -3.24 0.00 0.00 57.03 53.24 1cca h ASP 279 Cb 0.00 0.00 0.14 0.00 -1.04 0.00 0.00 39.33 38.43 1cca h ASP 279 CO 0.00 0.00 0.61 0.00 -2.04 0.00 0.00 179.24 177.82 1cca n ALA 280 N -2.10 1.61 -1.66 4.15 0.00 -0.52 -4.96 120.51 117.03 1cca n ALA 280 Ca 0.02 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 1cca n ALA 280 Cb 0.37 -2.36 0.01 0.00 0.00 0.00 0.00 19.45 17.47 1cca n ALA 280 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cca n PRO 281 N -1.10 1.67 -1.00 0.00 -0.04 -1.26 -4.99 135.00 128.29 1cca n PRO 281 Ca 0.11 0.60 -0.34 0.00 -0.04 0.00 0.00 63.50 63.83 1cca n PRO 281 Cb 0.45 -2.24 0.11 0.00 -0.04 0.00 0.00 33.50 31.78 1cca n PRO 281 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1cca n SER 282 N 0.31 -0.88 -4.64 3.54 7.64 -1.26 -4.92 113.62 113.42 1cca n SER 282 Ca 0.08 0.47 -0.46 0.00 1.01 0.00 0.00 58.87 59.97 1cca n SER 282 Cb 0.39 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 1cca n SER 282 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1cca n PRO 283 N -2.00 1.74 -2.66 1.43 -0.04 -1.26 -4.94 135.00 127.26 1cca n PRO 283 Ca 0.10 0.62 -0.41 0.00 -0.04 0.00 0.00 63.50 63.77 1cca n PRO 283 Cb 0.52 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 1cca n PRO 283 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1cca s PHE 284 N 0.01 3.80 -0.41 0.54 0.08 0.70 -4.76 117.98 117.95 1cca s PHE 284 Ca 0.71 1.79 -0.09 0.00 0.12 0.00 0.00 56.93 59.46 1cca s PHE 284 Cb -0.73 -3.10 0.07 0.00 -0.57 0.00 0.00 43.02 38.69 1cca s PHE 284 CO 0.49 0.04 0.24 0.42 -0.10 0.00 0.00 175.22 176.31 1cca s ILE 285 N -0.59 4.23 0.27 0.64 -1.09 -1.26 -1.60 121.20 121.79 1cca s ILE 285 Ca 0.45 -1.33 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 1cca s ILE 285 Cb -0.26 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 36.97 1cca s ILE 285 CO 0.33 -0.46 0.99 -0.36 -1.23 0.00 0.00 174.94 174.21 1cca s PHE 286 N 1.43 3.81 0.35 3.97 0.08 -1.26 -5.03 117.98 121.33 1cca s PHE 286 Ca 0.03 1.83 -0.26 0.00 0.12 0.00 0.00 56.93 58.65 1cca s PHE 286 Cb -0.22 -3.05 -0.09 0.00 -0.57 0.00 0.00 43.02 39.08 1cca s PHE 286 CO 0.03 0.12 1.04 0.15 -0.10 0.00 0.00 175.22 176.46 1cca s LYS 287 N -1.43 4.40 0.78 0.44 1.02 -1.26 -5.02 119.74 118.67 1cca s LYS 287 Ca 0.44 1.57 -0.11 0.00 0.02 0.00 0.00 55.97 57.88 1cca s LYS 287 Cb -0.26 -2.80 0.06 0.00 -0.52 0.00 0.00 37.83 34.31 1cca s LYS 287 CO 0.33 0.06 1.08 0.95 -0.92 0.00 0.00 175.35 176.85 1cca s THR 288 N -1.49 3.31 0.27 2.17 -4.23 -1.26 -4.92 115.64 109.49 1cca s THR 288 Ca 0.52 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1cca s THR 288 Cb -0.25 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.82 1cca s THR 288 CO 0.31 -0.55 1.74 -0.07 -0.54 0.00 0.00 174.62 175.51 1cca h LEU 289 N -1.11 0.46 -0.70 4.79 3.38 -1.97 -1.60 115.31 118.56 1cca h LEU 289 Ca -0.46 0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1cca h LEU 289 Cb 1.24 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1cca h LEU 289 CO 0.55 0.15 0.46 -0.08 0.09 0.00 0.00 178.44 179.61 1cca h GLU 290 N 0.55 0.92 0.00 1.13 4.81 -1.93 -0.42 114.58 119.64 1cca h GLU 290 Ca 0.49 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.63 1cca h GLU 290 Cb 0.78 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1cca h GLU 290 CO -0.41 0.61 -0.20 0.93 -0.73 0.00 0.00 179.01 179.20 1cca h GLU 291 N 0.94 0.00 -0.00 1.92 5.08 -1.66 -2.84 114.58 118.02 1cca h GLU 291 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1cca h GLU 291 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1cca h GLU 291 CO -0.06 0.20 -0.56 1.04 -1.00 0.00 0.00 179.01 178.64 1cca n GLN 292 N -3.64 0.19 -2.04 2.33 6.02 -0.35 -4.96 117.38 114.93 1cca n GLN 292 Ca -0.01 -0.12 -0.03 0.00 -0.01 0.00 0.00 57.00 56.82 1cca n GLN 292 Cb 0.33 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 1cca n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cca n GLY 293 N 1.47 0.25 0.38 1.08 0.00 -0.31 -5.09 105.19 102.96 1cca n GLY 293 Ca 0.06 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1cca n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36