#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hai n THR 16 N 0.00 0.00 -0.01 12.58 -2.24 -1.26 -2.24 114.28 121.11 3hai n THR 16 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3hai n THR 16 Cb 0.00 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.51 3hai n THR 16 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hai h ASP 17 N 0.00 0.28 -2.44 3.42 3.32 -2.05 -3.48 116.42 115.47 3hai h ASP 17 Ca 0.00 -0.84 -0.52 0.00 0.02 0.00 0.00 57.03 55.68 3hai h ASP 17 Cb 0.00 -0.09 0.23 0.00 0.22 0.00 0.00 39.33 39.69 3hai h ASP 17 CO 0.00 1.09 -1.40 -0.24 -1.72 0.00 0.00 179.24 176.97 3hai n SER 18 N -4.41 -3.77 0.08 6.45 2.88 -0.95 -4.93 113.62 108.99 3hai n SER 18 Ca -0.11 0.17 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 3hai n SER 18 Cb 0.59 -0.92 -0.12 0.00 -0.75 0.00 0.00 64.21 63.01 3hai n SER 18 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3hai h PHE 19 N -1.34 0.27 -0.38 0.66 3.04 -1.90 -3.31 116.94 113.98 3hai h PHE 19 Ca -0.44 -0.19 -0.02 0.00 3.98 0.00 0.00 57.97 61.29 3hai h PHE 19 Cb 1.31 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.79 3hai h PHE 19 CO 0.24 1.14 0.15 -1.49 -2.02 0.00 0.00 178.31 176.33 3hai h TRP 20 N 0.04 0.58 -2.56 0.41 4.06 -1.91 -3.29 115.95 113.28 3hai h TRP 20 Ca -0.07 -0.05 -0.60 0.00 2.06 0.00 0.00 58.89 60.23 3hai h TRP 20 Cb 1.86 -0.17 0.15 0.00 -1.00 0.00 0.00 29.16 29.99 3hai h TRP 20 CO 0.03 0.52 -0.27 -1.91 -3.56 0.00 0.00 178.44 173.26 3hai n GLU 21 N -4.66 0.73 0.00 0.49 4.07 -1.25 -4.75 120.64 115.27 3hai n GLU 21 Ca -0.01 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 3hai n GLU 21 Cb 0.15 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 3hai n GLU 21 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3hai n VAL 22 N -0.88 0.00 -1.89 6.31 0.24 -1.26 -2.67 118.33 118.17 3hai n VAL 22 Ca 0.11 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.08 3hai n VAL 22 Cb 0.40 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.81 3hai n VAL 22 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hai n GLY 23 N 0.00 5.85 0.00 7.63 0.00 -1.26 -4.71 105.19 112.69 3hai n GLY 23 Ca 0.00 -2.52 0.14 0.00 0.00 0.00 0.00 46.02 43.64 3hai n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hai n ASN 24 N -0.65 0.00 -0.05 1.61 4.13 -1.09 -3.07 115.26 116.13 3hai n ASN 24 Ca 0.52 -0.68 0.25 0.00 1.68 0.00 0.00 54.58 56.34 3hai n ASN 24 Cb 0.54 -0.07 0.68 0.00 -1.54 0.00 0.00 39.78 39.39 3hai n ASN 24 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 3hai h TYR 25 N 0.00 0.00 -0.13 3.10 -0.00 -1.84 -2.13 116.97 115.97 3hai h TYR 25 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.73 58.77 3hai h TYR 25 Cb 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.79 3hai h TYR 25 CO 0.00 0.00 0.13 -0.22 -0.00 0.00 0.00 178.16 178.07 3hai h LYS 26 N 0.00 0.00 -0.60 0.10 3.64 -1.91 -2.39 116.57 115.40 3hai h LYS 26 Ca 0.33 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.76 3hai h LYS 26 Cb 1.70 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.48 3hai h LYS 26 CO -0.00 0.00 0.40 0.00 -2.27 0.00 0.00 179.45 177.58 3hai h ARG 27 N 0.00 0.61 -0.01 1.90 2.47 -1.69 0.20 114.38 117.86 3hai h ARG 27 Ca 0.06 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3hai h ARG 27 Cb 0.32 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3hai h ARG 27 CO -0.00 0.40 -0.67 0.25 0.56 0.00 0.00 179.97 180.51 3hai n THR 28 N -4.47 0.00 0.30 2.04 -2.24 -0.92 -3.86 114.28 105.13 3hai n THR 28 Ca 0.08 -0.17 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 3hai n THR 28 Cb 0.20 1.14 0.28 0.00 -2.10 0.00 0.00 70.33 69.85 3hai n THR 28 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3hai h VAL 29 N 1.34 0.00 0.05 2.28 3.04 -0.46 -3.19 116.25 119.32 3hai h VAL 29 Ca 0.00 -0.83 -0.00 0.00 -1.01 0.00 0.00 66.70 64.85 3hai h VAL 29 Cb 0.62 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 3hai h VAL 29 CO 0.00 0.00 -0.02 0.11 -1.01 0.00 0.00 177.57 176.65 3hai h LYS 30 N 0.00 -0.07 -0.93 4.17 1.79 -1.13 -3.33 116.57 117.08 3hai h LYS 30 Ca 0.00 0.00 0.31 0.00 -2.18 0.00 0.00 60.65 58.78 3hai h LYS 30 Cb 0.88 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.38 3hai h LYS 30 CO 0.00 0.54 0.21 -2.13 -1.08 0.00 0.00 179.45 176.99 3hai n ARG 31 N -4.76 -0.07 -0.17 3.15 0.63 -1.22 0.10 116.66 114.33 3hai n ARG 31 Ca -0.08 1.35 -0.05 0.00 -0.92 0.00 0.00 57.85 58.16 3hai n ARG 31 Cb 0.31 -2.25 0.05 0.00 0.45 0.00 0.00 32.46 31.02 3hai n ARG 31 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3hai h ILE 32 N 0.00 0.97 0.00 5.15 5.03 -1.66 -1.98 117.51 125.03 3hai h ILE 32 Ca 0.65 -0.18 -0.03 0.00 -0.12 0.00 0.00 64.86 65.18 3hai h ILE 32 Cb 1.53 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 35.72 3hai h ILE 32 CO -0.81 0.10 -0.75 0.44 -0.68 0.00 0.00 178.15 176.45 3hai h ASP 33 N 0.52 0.00 -0.89 1.72 5.19 -0.09 -3.29 116.42 119.59 3hai h ASP 33 Ca 0.22 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.75 3hai h ASP 33 Cb 0.11 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.56 3hai h ASP 33 CO -0.14 0.12 0.57 0.44 -3.12 0.00 0.00 179.24 177.11 3hai h ASP 34 N 0.00 0.73 0.68 6.45 3.32 0.13 -1.46 116.42 126.27 3hai h ASP 34 Ca -0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hai h ASP 34 Cb 1.11 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3hai h ASP 34 CO 0.01 0.40 0.00 1.23 -1.72 0.00 0.00 179.24 179.16 3hai h GLY 35 N 0.79 0.00 0.38 2.75 0.00 -1.45 -2.12 103.07 103.42 3hai h GLY 35 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3hai h GLY 35 CO -0.19 0.00 -0.18 0.84 0.00 0.00 0.00 176.54 177.01 3hai h HIS 36 N 0.00 -0.48 -0.46 5.60 -0.00 -1.43 -2.22 115.15 116.17 3hai h HIS 36 Ca 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.39 3hai h HIS 36 Cb 0.34 0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3hai h HIS 36 CO 0.00 -0.30 0.31 0.07 -0.00 0.00 0.00 177.93 178.01 3hai h ARG 37 N -0.91 0.51 -0.83 5.26 0.11 -1.60 0.42 114.38 117.35 3hai h ARG 37 Ca -0.05 -0.03 0.12 0.00 0.10 0.00 0.00 59.98 60.12 3hai h ARG 37 Cb 0.39 -0.12 -0.06 0.00 1.11 0.00 0.00 29.97 31.30 3hai h ARG 37 CO 0.09 0.34 0.54 -0.07 0.10 0.00 0.00 179.97 180.96 3hai h LEU 38 N 0.53 0.63 -0.36 0.08 -0.00 -1.39 0.98 115.31 115.77 3hai h LEU 38 Ca 0.18 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.09 3hai h LEU 38 Cb 0.08 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 3hai h LEU 38 CO -0.04 0.35 0.21 0.00 -0.00 0.00 0.00 178.44 178.95 3hai h ASN 40 N 0.47 -1.10 -0.68 0.00 4.21 0.05 -2.23 115.58 116.29 3hai h ASN 40 Ca 0.13 0.04 0.12 0.00 1.21 0.00 0.00 56.30 57.80 3hai h ASN 40 Cb 0.03 0.29 -0.13 0.00 -1.12 0.00 0.00 38.32 37.39 3hai h ASN 40 CO -0.02 -0.76 -0.33 0.44 -1.29 0.00 0.00 177.43 175.47 3hai h ASP 41 N -1.25 -1.16 -0.47 5.81 5.19 0.88 0.31 116.42 125.73 3hai h ASP 41 Ca -0.12 0.24 0.09 0.00 -0.62 0.00 0.00 57.03 56.61 3hai h ASP 41 Cb 0.97 0.60 -0.07 0.00 0.18 0.00 0.00 39.33 41.00 3hai h ASP 41 CO 0.19 -0.30 0.03 0.25 -3.12 0.00 0.00 179.24 176.30 3hai h LEU 42 N -0.12 -0.13 -0.35 1.55 6.46 -1.17 0.21 115.31 121.76 3hai h LEU 42 Ca 0.27 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 58.16 3hai h LEU 42 Cb 0.56 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 3hai h LEU 42 CO -0.75 -0.03 -0.28 0.24 -0.62 0.00 0.00 178.44 177.00 3hai h MET 43 N 0.15 -0.09 -0.62 1.25 2.86 0.22 -0.37 114.93 118.33 3hai h MET 43 Ca 0.24 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3hai h MET 43 Cb 0.34 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3hai h MET 43 CO -0.36 -0.06 0.21 -0.91 1.06 0.00 0.00 176.91 176.84 3hai h ASN 44 N -0.09 0.89 -0.99 1.22 -0.26 -0.04 0.15 115.58 116.45 3hai h ASN 44 Ca 0.06 -0.20 0.19 0.00 -0.56 0.00 0.00 56.30 55.79 3hai h ASN 44 Cb 0.24 -0.23 -0.11 0.00 -1.06 0.00 0.00 38.32 37.16 3hai h ASN 44 CO -0.38 0.85 0.59 0.00 -1.06 0.00 0.00 177.43 177.44 3hai h VAL 46 N 0.73 1.41 -0.16 0.00 2.07 0.67 -3.03 116.25 117.93 3hai h VAL 46 Ca 0.58 -1.86 0.05 0.00 0.82 0.00 0.00 66.70 66.28 3hai h VAL 46 Cb 0.91 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.99 3hai h VAL 46 CO -0.39 0.55 -0.14 1.56 0.02 0.00 0.00 177.57 179.17 3hai h GLN 47 N -0.05 -0.14 0.00 1.57 4.20 0.21 0.69 115.11 121.58 3hai h GLN 47 Ca -0.04 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3hai h GLN 47 Cb 1.13 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3hai h GLN 47 CO 0.09 -0.10 0.00 0.39 -0.67 0.00 0.00 178.83 178.55 3hai n GLU 48 N -5.29 0.00 -0.31 1.46 1.02 0.21 0.62 120.64 118.35 3hai n GLU 48 Ca -0.02 0.45 0.10 0.00 -0.02 0.00 0.00 57.16 57.66 3hai n GLU 48 Cb 0.21 -1.28 0.21 0.00 -0.02 0.00 0.00 31.44 30.56 3hai n GLU 48 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3hai h ARG 49 N 0.00 0.05 0.00 3.49 9.65 -1.53 0.79 114.38 126.82 3hai h ARG 49 Ca 0.00 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 3hai h ARG 49 Cb 0.00 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3hai h ARG 49 CO 0.00 0.03 -0.12 0.00 2.80 0.00 0.00 179.97 182.68 3hai h ALA 50 N 1.88 1.61 0.00 2.80 0.00 0.62 0.27 119.26 126.44 3hai h ALA 50 Ca 0.51 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 3hai h ALA 50 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hai h ALA 50 CO -0.84 0.15 -0.41 -0.22 0.00 0.00 0.00 179.25 177.94 3hai h LYS 51 N 0.00 0.00 0.03 0.00 3.11 0.62 -3.24 116.57 117.09 3hai h LYS 51 Ca -0.00 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.57 3hai h LYS 51 Cb 0.24 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.49 3hai h LYS 51 CO 0.02 0.41 -1.07 0.82 -2.81 0.00 0.00 179.45 176.81 3hai h ILE 52 N 0.00 1.29 -0.73 2.00 2.04 0.90 -3.03 117.51 119.97 3hai h ILE 52 Ca -0.00 -2.28 0.10 0.00 1.00 0.00 0.00 64.86 63.67 3hai h ILE 52 Cb 0.84 2.46 -0.07 0.00 -0.74 0.00 0.00 36.82 39.31 3hai h ILE 52 CO 0.05 0.70 0.37 -0.33 0.00 0.00 0.00 178.15 178.94 3hai h GLU 53 N 0.34 0.59 -0.53 2.37 4.39 -1.15 -2.26 114.58 118.34 3hai h GLU 53 Ca -0.14 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 3hai h GLU 53 Cb 1.73 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 30.22 3hai h GLU 53 CO 0.21 0.39 0.12 -0.22 -1.16 0.00 0.00 179.01 178.35 3hai h LYS 54 N 0.61 0.80 0.21 2.33 3.64 -1.56 -2.47 116.57 120.14 3hai h LYS 54 Ca 0.37 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3hai h LYS 54 Cb 0.40 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3hai h LYS 54 CO -0.28 0.73 -0.10 0.00 -2.27 0.00 0.00 179.45 177.53 3hai h ALA 55 N 1.36 -0.28 -0.33 5.00 0.00 -1.30 -1.91 119.26 121.79 3hai h ALA 55 Ca 0.17 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hai h ALA 55 Cb 0.29 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3hai h ALA 55 CO -0.00 -0.64 -0.38 -0.92 0.00 0.00 0.00 179.25 177.31 3hai h TYR 56 N -0.33 -1.08 -0.27 0.00 3.20 -1.38 -2.27 116.97 114.84 3hai h TYR 56 Ca -0.03 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3hai h TYR 56 Cb 0.25 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3hai h TYR 56 CO -0.05 -0.42 0.18 0.78 -1.64 0.00 0.00 178.16 177.01 3hai h GLY 57 N -0.33 0.26 1.04 1.82 0.00 -1.12 -1.36 103.07 103.39 3hai h GLY 57 Ca 0.14 -0.09 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 3hai h GLY 57 CO -0.51 0.08 -0.97 -1.61 0.00 0.00 0.00 176.54 173.53 3hai h GLN 58 N 0.23 0.56 -0.22 4.80 5.75 -1.02 -0.57 115.11 124.64 3hai h GLN 58 Ca 0.11 -0.68 0.02 0.00 -0.15 0.00 0.00 58.65 57.96 3hai h GLN 58 Cb 0.16 0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 3hai h GLN 58 CO -0.02 1.28 0.08 1.96 -2.65 0.00 0.00 178.83 179.47 3hai h GLN 59 N 0.13 0.17 0.38 1.69 4.20 -0.75 0.69 115.11 121.63 3hai h GLN 59 Ca -0.14 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3hai h GLN 59 Cb 1.67 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.38 3hai h GLN 59 CO 0.19 0.12 -0.42 -0.07 -0.67 0.00 0.00 178.83 177.97 3hai h LEU 60 N 0.18 -1.16 -0.23 1.46 3.38 -1.21 0.64 115.31 118.37 3hai h LEU 60 Ca 0.09 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.22 3hai h LEU 60 Cb 0.06 0.39 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3hai h LEU 60 CO -0.10 -0.56 -0.13 0.71 0.09 0.00 0.00 178.44 178.46 3hai h THR 61 N -0.83 0.62 -0.38 0.22 1.35 -0.92 0.21 112.91 113.18 3hai h THR 61 Ca -0.03 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.90 3hai h THR 61 Cb 0.75 0.62 -0.07 0.00 -1.73 0.00 0.00 68.15 67.72 3hai h THR 61 CO -0.09 0.00 -0.07 0.44 -0.25 0.00 0.00 175.52 175.55 3hai h ASP 62 N -0.10 -0.30 -0.08 5.36 3.32 -0.56 -0.45 116.42 123.61 3hai h ASP 62 Ca 0.13 0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.31 3hai h ASP 62 Cb 0.29 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3hai h ASP 62 CO -0.30 -0.11 0.07 -0.25 -1.72 0.00 0.00 179.24 176.93 3hai h TRP 63 N 0.02 0.00 0.00 4.55 7.01 0.32 0.72 115.95 128.57 3hai h TRP 63 Ca 0.18 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 3hai h TRP 63 Cb 0.28 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 3hai h TRP 63 CO -0.32 0.00 -0.17 0.00 -2.79 0.00 0.00 178.44 175.16 3hai h ALA 64 N 1.94 0.03 -1.00 2.65 0.00 -0.31 -3.06 119.26 119.50 3hai h ALA 64 Ca 0.04 -0.53 0.22 0.00 0.00 0.00 0.00 54.91 54.64 3hai h ALA 64 Cb 0.17 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 3hai h ALA 64 CO -0.00 0.10 0.61 -0.22 0.00 0.00 0.00 179.25 179.73 3hai h LYS 65 N -1.00 0.65 0.01 0.00 3.64 -0.55 0.28 116.57 119.61 3hai h LYS 65 Ca -0.04 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.09 3hai h LYS 65 Cb 0.91 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3hai h LYS 65 CO -0.03 0.43 -0.91 -0.09 -2.27 0.00 0.00 179.45 176.58 3hai h ARG 66 N 0.67 0.21 0.00 1.90 2.43 -0.98 -3.11 114.38 115.50 3hai h ARG 66 Ca 0.61 -0.24 -0.16 0.00 -0.81 0.00 0.00 59.98 59.38 3hai h ARG 66 Cb 1.06 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 3hai h ARG 66 CO -0.41 0.99 -0.92 -1.49 -1.51 0.00 0.00 179.97 176.62 3hai h TRP 67 N 0.11 0.00 -0.76 2.20 4.06 -1.14 -2.85 115.95 117.58 3hai h TRP 67 Ca -0.05 0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.08 3hai h TRP 67 Cb 1.56 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.57 3hai h TRP 67 CO 0.03 1.18 -0.09 -2.13 -3.56 0.00 0.00 178.44 173.87 3hai n ARG 68 N -4.50 -0.06 0.03 0.49 0.63 0.87 0.12 116.66 114.24 3hai n ARG 68 Ca -0.24 1.16 -0.02 0.00 -0.92 0.00 0.00 57.85 57.83 3hai n ARG 68 Cb 0.58 -1.78 -0.01 0.00 0.45 0.00 0.00 32.46 31.70 3hai n ARG 68 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3hai h GLN 69 N 0.00 -0.08 -0.89 -0.14 1.08 -1.64 -1.13 115.11 112.30 3hai h GLN 69 Ca 0.41 0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.78 3hai h GLN 69 Cb 0.74 0.02 -0.16 0.00 -0.05 0.00 0.00 27.48 28.02 3hai h GLN 69 CO -0.75 -0.06 -0.28 -0.07 -0.95 0.00 0.00 178.83 176.73 3hai h LEU 70 N -0.09 -1.02 -0.79 1.46 3.38 -0.06 0.37 115.31 118.56 3hai h LEU 70 Ca -0.01 0.28 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 3hai h LEU 70 Cb 0.07 0.61 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3hai h LEU 70 CO 0.00 -0.30 -0.30 -0.29 0.09 0.00 0.00 178.44 177.64 3hai h ILE 71 N -0.02 0.65 -0.49 1.22 -0.00 -0.97 -0.84 117.51 117.05 3hai h ILE 71 Ca 0.39 -1.42 0.01 0.00 -0.00 0.00 0.00 64.86 63.84 3hai h ILE 71 Cb 0.63 1.95 -0.03 0.00 -0.00 0.00 0.00 36.82 39.38 3hai h ILE 71 CO -0.92 0.29 0.32 -0.08 -0.00 0.00 0.00 178.15 177.77 3hai h GLU 72 N 0.00 0.64 -0.46 2.19 4.57 0.10 -3.08 114.58 118.55 3hai h GLU 72 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3hai h GLU 72 Cb 0.92 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 3hai h GLU 72 CO 0.04 0.42 0.00 0.36 -1.18 0.00 0.00 179.01 178.65 3hai n LYS 73 N -4.75 3.42 -3.00 1.92 2.85 -0.61 -4.95 118.16 113.05 3hai n LYS 73 Ca 0.02 -2.72 -0.18 0.00 -1.05 0.00 0.00 58.31 54.38 3hai n LYS 73 Cb 0.03 -1.78 0.03 0.00 -0.65 0.00 0.00 35.03 32.66 3hai n LYS 73 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3hai s GLY 74 N -1.24 1.85 0.53 2.58 0.00 -0.34 -5.02 107.32 105.68 3hai s GLY 74 Ca 0.43 -1.85 0.29 0.00 0.00 0.00 0.00 44.72 43.58 3hai s GLY 74 CO 0.17 -1.55 2.07 -0.56 0.00 0.00 0.00 173.10 173.23 3hai h PRO 75 N 0.40 0.00 -6.90 2.90 0.13 -1.88 -3.45 132.00 123.20 3hai h PRO 75 Ca -0.36 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.25 3hai h PRO 75 Cb 1.28 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.49 3hai h PRO 75 CO 0.43 0.11 0.67 -1.14 -0.23 0.00 0.00 178.00 177.84 3hai s GLN 76 N -4.11 4.26 0.20 0.86 2.00 -1.26 -5.01 119.66 116.60 3hai s GLN 76 Ca -0.02 2.30 0.01 0.00 -2.00 0.00 0.00 55.36 55.65 3hai s GLN 76 Cb 0.13 -3.02 -0.00 0.00 0.80 0.00 0.00 33.01 30.91 3hai s GLN 76 CO 0.57 -0.30 0.23 2.48 -0.50 0.00 0.00 175.29 177.77 3hai n TYR 77 N 0.66 -0.77 -3.44 1.67 4.11 -1.26 -4.77 117.16 113.36 3hai n TYR 77 Ca 0.01 -1.46 0.00 0.00 -0.00 0.00 0.00 57.90 56.44 3hai n TYR 77 Cb 0.41 0.25 0.00 0.00 -0.00 0.00 0.00 39.34 40.00 3hai n TYR 77 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3hai n GLY 78 N -0.35 1.31 0.02 -7.48 0.00 -1.26 -2.28 105.19 95.15 3hai n GLY 78 Ca 0.02 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.65 3hai n GLY 78 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hai n SER 79 N -2.56 0.05 -0.10 1.61 3.41 -1.26 -2.89 113.62 111.88 3hai n SER 79 Ca 0.00 -1.10 -0.10 0.00 -0.26 0.00 0.00 58.87 57.41 3hai n SER 79 Cb 0.00 -0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3hai n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hai n LEU 80 N -0.92 0.05 0.24 1.04 7.99 -1.20 -3.45 117.00 120.76 3hai n LEU 80 Ca 0.22 -0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.12 3hai n LEU 80 Cb 0.11 0.46 -0.05 0.00 -0.11 0.00 0.00 43.42 43.83 3hai n LEU 80 CO 0.16 0.50 0.35 1.05 -1.51 0.00 0.00 177.39 177.94 3hai h GLU 81 N 0.00 -0.62 -1.28 3.23 4.11 -1.38 -1.12 114.58 117.53 3hai h GLU 81 Ca -0.54 0.04 0.45 0.00 0.07 0.00 0.00 59.36 59.39 3hai h GLU 81 Cb 2.21 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 31.46 3hai h GLU 81 CO 0.03 -0.41 0.80 -2.13 0.07 0.00 0.00 179.01 177.37 3hai n ARG 82 N -4.35 -0.04 0.06 1.06 0.63 -1.14 0.75 116.66 113.63 3hai n ARG 82 Ca -0.08 1.23 -0.09 0.00 -0.92 0.00 0.00 57.85 57.99 3hai n ARG 82 Cb 0.25 -2.39 -0.06 0.00 0.45 0.00 0.00 32.46 30.72 3hai n ARG 82 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hai h ALA 83 N 1.59 -0.24 -0.60 5.13 0.00 -1.55 -1.17 119.26 122.43 3hai h ALA 83 Ca 0.85 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.74 3hai h ALA 83 Cb 2.66 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 20.51 3hai h ALA 83 CO -0.49 -0.28 0.44 2.35 0.00 0.00 0.00 179.25 181.27 3hai h TRP 84 N -0.96 0.00 -0.44 0.00 7.01 0.45 0.37 115.95 122.39 3hai h TRP 84 Ca -0.02 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 3hai h TRP 84 Cb 0.46 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 3hai h TRP 84 CO 0.07 0.00 0.09 0.78 -2.79 0.00 0.00 178.44 176.59 3hai h GLY 85 N 0.00 0.77 0.04 2.65 0.00 0.52 -2.84 103.07 104.21 3hai h GLY 85 Ca 0.28 -0.50 0.15 0.00 0.00 0.00 0.00 47.33 47.26 3hai h GLY 85 CO -0.00 0.46 0.84 0.00 0.00 0.00 0.00 176.54 177.84 3hai h ALA 86 N 0.95 2.30 -0.00 3.60 0.00 0.10 0.16 119.26 126.38 3hai h ALA 86 Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hai h ALA 86 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hai h ALA 86 CO 0.01 -1.10 -0.06 0.82 0.00 0.00 0.00 179.25 178.91 3hai h ILE 87 N 0.00 1.58 -1.30 0.00 2.04 -1.52 -2.81 117.51 115.51 3hai h ILE 87 Ca 0.24 -1.78 0.42 0.00 1.00 0.00 0.00 64.86 64.74 3hai h ILE 87 Cb 1.92 2.76 -0.12 0.00 -0.74 0.00 0.00 36.82 40.63 3hai h ILE 87 CO -0.00 0.47 0.84 0.24 0.00 0.00 0.00 178.15 179.69 3hai h MET 88 N -0.67 0.11 0.00 2.37 2.86 -0.82 0.35 114.93 119.13 3hai h MET 88 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hai h MET 88 Cb 0.80 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3hai h MET 88 CO 0.01 0.07 -0.53 0.25 1.06 0.00 0.00 176.91 177.78 3hai n THR 89 N -4.68 0.24 0.07 2.22 -2.24 -1.15 -1.63 114.28 107.11 3hai n THR 89 Ca 0.36 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.87 3hai n THR 89 Cb 1.38 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3hai n THR 89 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hai h GLU 90 N 0.00 0.31 0.49 -0.78 -0.00 -0.08 -2.14 114.58 112.38 3hai h GLU 90 Ca 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 59.36 59.04 3hai h GLU 90 Cb 0.66 0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.49 3hai h GLU 90 CO 0.00 0.98 -0.23 0.00 -0.00 0.00 0.00 179.01 179.75 3hai h ALA 91 N 0.92 -1.08 -0.96 1.06 0.00 -1.04 0.26 119.26 118.43 3hai h ALA 91 Ca -0.05 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hai h ALA 91 Cb 1.44 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.34 3hai h ALA 91 CO 0.14 -1.04 -0.43 -0.25 0.00 0.00 0.00 179.25 177.67 3hai n ASP 92 N -3.90 -0.75 -0.34 0.00 8.00 -0.65 0.03 116.55 118.94 3hai n ASP 92 Ca -0.08 1.68 -0.03 0.00 0.71 0.00 0.00 54.79 57.07 3hai n ASP 92 Cb 0.26 -0.33 0.10 0.00 -0.02 0.00 0.00 41.12 41.12 3hai n ASP 92 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hai h LYS 93 N 0.00 1.21 -0.66 -1.24 1.57 -1.30 -1.95 116.57 114.21 3hai h LYS 93 Ca 0.28 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3hai h LYS 93 Cb 0.52 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3hai h LYS 93 CO -0.93 0.80 0.15 0.28 -0.57 0.00 0.00 179.45 179.18 3hai h VAL 94 N 1.25 1.26 -0.08 0.50 2.07 0.32 -2.81 116.25 118.76 3hai h VAL 94 Ca 0.34 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3hai h VAL 94 Cb -0.14 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3hai h VAL 94 CO -0.08 0.36 -0.40 -1.28 0.02 0.00 0.00 177.57 176.20 3hai h SER 95 N 0.99 -1.25 -1.61 0.57 0.87 0.10 -2.11 113.55 111.11 3hai h SER 95 Ca 0.21 0.15 0.47 0.00 -1.23 0.00 0.00 61.79 61.38 3hai h SER 95 Cb 0.38 0.48 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 3hai h SER 95 CO 0.00 -0.36 1.16 -0.08 -0.53 0.00 0.00 176.83 177.02 3hai h GLU 96 N -0.44 0.00 0.04 2.24 4.81 -1.12 1.10 114.58 121.21 3hai h GLU 96 Ca 0.02 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 3hai h GLU 96 Cb 0.50 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3hai h GLU 96 CO -0.31 0.00 -1.12 -0.07 -0.73 0.00 0.00 179.01 176.79 3hai h LEU 97 N 0.00 0.13 -0.66 1.64 3.38 -1.19 -3.11 115.31 115.50 3hai h LEU 97 Ca 0.76 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 58.45 3hai h LEU 97 Cb 3.07 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 43.76 3hai h LEU 97 CO -0.01 1.11 -0.66 0.45 0.09 0.00 0.00 178.44 179.42 3hai h HIS 98 N 0.02 0.05 -0.24 1.13 3.86 0.16 -1.80 115.15 118.33 3hai h HIS 98 Ca -0.06 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3hai h HIS 98 Cb 1.85 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 30.27 3hai h HIS 98 CO 0.02 0.69 0.02 1.96 0.86 0.00 0.00 177.93 181.48 3hai h GLN 99 N 0.03 0.09 -0.91 2.45 7.50 -1.45 -0.05 115.11 122.78 3hai h GLN 99 Ca -0.01 -0.01 0.09 0.00 0.50 0.00 0.00 58.65 59.23 3hai h GLN 99 Cb 1.18 -0.02 -0.07 0.00 0.05 0.00 0.00 27.48 28.61 3hai h GLN 99 CO 0.09 0.06 0.55 0.93 -1.50 0.00 0.00 178.83 178.97 3hai h GLU 100 N 0.10 0.91 -0.51 1.46 5.08 -1.33 0.87 114.58 121.16 3hai h GLU 100 Ca 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hai h GLU 100 Cb 0.13 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3hai h GLU 100 CO -0.17 0.60 0.25 0.28 -1.00 0.00 0.00 179.01 178.97 3hai h VAL 101 N 0.94 1.19 0.59 3.13 2.07 -0.93 -0.05 116.25 123.19 3hai h VAL 101 Ca 0.43 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 3hai h VAL 101 Cb 0.33 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3hai h VAL 101 CO -0.23 0.22 -0.28 0.50 0.02 0.00 0.00 177.57 177.80 3hai h LYS 102 N 0.68 -0.77 0.00 1.57 3.64 0.43 -1.80 116.57 120.33 3hai h LYS 102 Ca 0.18 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3hai h LYS 102 Cb 0.12 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3hai h LYS 102 CO -0.02 -0.51 0.00 0.09 -2.27 0.00 0.00 179.45 176.74 3hai n ASN 103 N -4.53 0.00 -0.60 4.20 3.02 0.29 0.14 115.26 117.78 3hai n ASN 103 Ca -0.10 0.85 0.45 0.00 -0.03 0.00 0.00 54.58 55.76 3hai n ASN 103 Cb 0.31 -0.35 0.70 0.00 -0.61 0.00 0.00 39.78 39.83 3hai n ASN 103 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hai n ASN 104 N -2.32 0.00 -0.04 6.41 5.03 -0.04 0.10 115.26 124.41 3hai n ASN 104 Ca 0.00 0.84 -0.13 0.00 0.87 0.00 0.00 54.58 56.16 3hai n ASN 104 Cb 0.00 -0.42 -0.11 0.00 -1.02 0.00 0.00 39.78 38.23 3hai n ASN 104 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3hai h LEU 105 N 0.00 -0.01 0.07 3.41 3.38 0.21 -2.27 115.31 120.10 3hai h LEU 105 Ca 0.80 -0.76 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3hai h LEU 105 Cb 3.23 0.00 0.02 0.00 0.09 0.00 0.00 40.66 44.00 3hai h LEU 105 CO -0.01 0.76 -0.78 -0.07 0.09 0.00 0.00 178.44 178.44 3hai h LEU 106 N -0.79 0.55 -0.38 1.67 -0.00 0.31 0.40 115.31 117.08 3hai h LEU 106 Ca -0.00 -0.85 -0.19 0.00 -0.00 0.00 0.00 57.88 56.84 3hai h LEU 106 Cb 0.76 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3hai h LEU 106 CO 0.00 1.34 -0.75 0.78 -0.00 0.00 0.00 178.44 179.82 3hai h ASN 107 N -0.16 0.49 0.00 -0.43 4.21 0.32 -3.32 115.58 116.69 3hai h ASN 107 Ca -0.12 -0.33 0.00 0.00 1.21 0.00 0.00 56.30 57.06 3hai h ASN 107 Cb 1.53 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.58 3hai h ASN 107 CO 0.15 1.08 -0.20 -0.62 -1.29 0.00 0.00 177.43 176.55 3hai n GLU 108 N -3.83 0.10 0.03 0.81 1.02 -1.18 -4.63 120.64 112.97 3hai n GLU 108 Ca -0.05 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 3hai n GLU 108 Cb 0.72 -0.53 -0.08 0.00 -0.02 0.00 0.00 31.44 31.53 3hai n GLU 108 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hai h ASP 109 N -0.20 -0.03 0.43 1.62 5.19 -1.33 -0.55 116.42 121.56 3hai h ASP 109 Ca 0.00 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 3hai h ASP 109 Cb 0.20 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3hai h ASP 109 CO 0.00 0.13 0.00 0.25 -3.12 0.00 0.00 179.24 176.50 3hai h LEU 110 N -0.18 0.00 -0.04 1.55 5.85 -0.35 -1.60 115.31 120.54 3hai h LEU 110 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hai h LEU 110 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3hai h LEU 110 CO 0.01 0.00 -0.94 1.21 -0.34 0.00 0.00 178.44 178.37 3hai n GLU 111 N -3.00 0.05 -0.05 1.25 4.07 -0.91 -3.27 120.64 118.78 3hai n GLU 111 Ca -0.01 -0.04 -0.13 0.00 -0.06 0.00 0.00 57.16 56.91 3hai n GLU 111 Cb 0.17 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 29.93 3hai n GLU 111 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 3hai h LYS 112 N 0.11 -0.01 0.00 5.31 3.64 -0.09 -1.75 116.57 123.79 3hai h LYS 112 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hai h LYS 112 Cb 0.51 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3hai h LYS 112 CO 0.00 0.82 -0.11 -0.39 -2.27 0.00 0.00 179.45 177.51 3hai h VAL 113 N -0.87 0.69 -0.04 2.00 -1.51 -1.68 0.38 116.25 115.22 3hai h VAL 113 Ca -0.00 -0.43 -0.05 0.00 -1.23 0.00 0.00 66.70 64.99 3hai h VAL 113 Cb 0.84 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3hai h VAL 113 CO 0.00 0.10 -0.17 0.50 -1.23 0.00 0.00 177.57 176.77 3hai h LYS 114 N 0.00 0.18 -0.49 5.19 3.64 -1.58 -1.43 116.57 122.07 3hai h LYS 114 Ca -0.00 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 3hai h LYS 114 Cb 0.26 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3hai h LYS 114 CO 0.01 0.80 0.13 -0.91 -2.27 0.00 0.00 179.45 177.22 3hai h ASN 115 N -0.39 0.73 -0.27 4.20 2.35 -0.90 -2.70 115.58 118.60 3hai h ASN 115 Ca -0.01 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3hai h ASN 115 Cb 0.83 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3hai h ASN 115 CO 0.04 0.76 0.17 -0.25 -1.65 0.00 0.00 177.43 176.50 3hai h TRP 116 N 0.67 0.34 -0.37 1.19 7.01 -0.35 -3.03 115.95 121.42 3hai h TRP 116 Ca 0.16 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.17 3hai h TRP 116 Cb 0.31 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3hai h TRP 116 CO 0.02 0.24 0.24 0.37 -2.79 0.00 0.00 178.44 176.52 3hai h GLN 117 N 0.35 0.47 0.00 2.65 4.15 -1.00 -1.04 115.11 120.69 3hai h GLN 117 Ca 0.10 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3hai h GLN 117 Cb -0.02 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3hai h GLN 117 CO -0.02 0.31 -0.38 -0.22 -1.93 0.00 0.00 178.83 176.59 3hai h LYS 118 N 0.48 0.00 0.00 1.69 3.64 -1.44 -2.75 116.57 118.20 3hai h LYS 118 Ca 0.14 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 3hai h LYS 118 Cb -0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3hai h LYS 118 CO -0.03 0.38 -0.64 -0.44 -2.27 0.00 0.00 179.45 176.45 3hai h ASP 119 N 0.00 0.00 0.00 4.20 3.45 -1.08 -3.37 116.42 119.62 3hai h ASP 119 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hai h ASP 119 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3hai h ASP 119 CO 0.05 0.64 -0.10 0.00 -1.57 0.00 0.00 179.24 178.26 3hai n ALA 120 N -2.28 2.10 -3.03 3.45 0.00 -0.99 -4.85 120.51 114.91 3hai n ALA 120 Ca 0.01 -1.94 -0.18 0.00 0.00 0.00 0.00 53.44 51.33 3hai n ALA 120 Cb 0.76 -0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 3hai n ALA 120 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hai n TYR 121 N -0.93 -1.42 -2.72 0.00 0.53 -1.04 -5.00 117.16 106.58 3hai n TYR 121 Ca 0.09 -2.93 -0.42 0.00 -1.02 0.00 0.00 57.90 53.63 3hai n TYR 121 Cb 0.58 0.34 -0.03 0.00 -1.03 0.00 0.00 39.34 39.21 3hai n TYR 121 CO 0.00 0.00 0.00 -1.01 -1.02 0.00 0.00 176.86 174.83 3hai s HIS 122 N -0.57 3.49 0.07 -0.72 3.76 -1.26 -4.82 115.29 115.23 3hai s HIS 122 Ca 0.34 1.52 -0.27 0.00 -0.15 0.00 0.00 55.06 56.50 3hai s HIS 122 Cb 0.20 -3.16 -0.05 0.00 1.11 0.00 0.00 32.58 30.68 3hai s HIS 122 CO -0.15 -0.24 0.85 0.21 -0.85 0.00 0.00 174.74 174.55 3hai s LYS 123 N 2.09 4.57 -1.08 1.40 2.20 -1.26 -0.95 119.74 126.72 3hai s LYS 123 Ca 0.46 1.22 -0.04 0.00 -0.36 0.00 0.00 55.97 57.25 3hai s LYS 123 Cb -0.18 -3.37 0.17 0.00 -1.51 0.00 0.00 37.83 32.94 3hai s LYS 123 CO 0.16 0.24 2.30 0.00 -0.36 0.00 0.00 175.35 177.69 3hai n GLN 124 N 2.87 4.33 -3.41 4.03 -0.00 -0.45 -4.75 117.38 120.00 3hai n GLN 124 Ca -0.00 -3.57 -0.17 0.00 -0.00 0.00 0.00 57.00 53.26 3hai n GLN 124 Cb 0.50 -2.49 0.03 0.00 -0.00 0.00 0.00 30.24 28.28 3hai n GLN 124 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3hai n ILE 125 N 1.02 -7.56 -3.74 -0.39 -0.00 -1.26 -3.96 119.36 103.46 3hai n ILE 125 Ca 0.56 -0.66 -0.17 0.00 -0.00 0.00 0.00 62.75 62.48 3hai n ILE 125 Cb 0.30 -5.42 -0.00 0.00 -0.00 0.00 0.00 39.64 34.52 3hai n ILE 125 CO 0.00 0.00 0.00 0.80 -0.00 0.00 0.00 176.55 177.35 3hai n MET 126 N -2.96 -0.78 -1.11 0.38 1.56 -1.26 -4.81 117.12 108.14 3hai n MET 126 Ca -0.09 -0.24 0.00 0.00 -0.27 0.00 0.00 57.70 57.10 3hai n MET 126 Cb 0.58 -0.55 0.00 0.00 2.15 0.00 0.00 33.22 35.40 3hai n MET 126 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3hai n GLY 127 N -1.43 -3.88 0.53 -5.12 0.00 -1.25 -5.19 105.19 88.85 3hai n GLY 127 Ca -0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 3hai n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hai n GLY 128 N 0.49 -0.34 3.66 -0.02 0.00 -1.26 -4.58 105.19 103.13 3hai n GLY 128 Ca 0.00 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 3hai n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hai s PHE 129 N -0.89 1.97 0.47 1.61 0.08 -1.26 -1.34 117.98 118.61 3hai s PHE 129 Ca 0.10 0.22 0.31 0.00 0.12 0.00 0.00 56.93 57.68 3hai s PHE 129 Cb -0.00 -3.93 1.40 0.00 -0.57 0.00 0.00 43.02 39.92 3hai s PHE 129 CO 0.07 -3.79 1.70 -0.22 -0.10 0.00 0.00 175.22 172.88 3hai h LYS 130 N 9.77 0.14 0.08 0.44 3.64 -1.34 0.15 116.57 129.45 3hai h LYS 130 Ca -0.39 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.73 3hai h LYS 130 Cb 1.18 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3hai h LYS 130 CO 0.96 0.09 -1.12 0.93 -2.27 0.00 0.00 179.45 178.05 3hai h GLU 131 N 0.14 0.29 0.35 1.90 3.07 -1.89 -2.47 114.58 115.98 3hai h GLU 131 Ca 0.71 -0.42 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 3hai h GLU 131 Cb 2.33 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 30.39 3hai h GLU 131 CO -0.24 1.16 -0.17 1.79 -1.40 0.00 0.00 179.01 180.15 3hai h THR 132 N 0.12 0.44 -0.89 1.13 1.35 -1.09 -2.31 112.91 111.67 3hai h THR 132 Ca -0.11 -0.71 0.12 0.00 -0.55 0.00 0.00 66.41 65.17 3hai h THR 132 Cb 1.81 0.70 -0.07 0.00 -1.73 0.00 0.00 68.15 68.86 3hai h THR 132 CO 0.18 0.10 0.57 0.50 -0.25 0.00 0.00 175.52 176.62 3hai h LYS 133 N -0.97 0.76 0.00 4.72 3.11 -1.52 0.55 116.57 123.22 3hai h LYS 133 Ca -0.05 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.73 3hai h LYS 133 Cb 0.52 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.58 3hai h LYS 133 CO 0.08 0.50 -0.06 1.49 -2.81 0.00 0.00 179.45 178.65 3hai h GLU 134 N 0.78 0.00 0.20 1.90 4.81 -1.47 -1.22 114.58 119.58 3hai h GLU 134 Ca 0.43 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.40 3hai h GLU 134 Cb 0.57 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.98 3hai h GLU 134 CO -0.19 0.06 -1.18 0.00 -0.73 0.00 0.00 179.01 176.97 3hai h ALA 135 N 1.94 -0.11 -0.32 2.92 0.00 0.55 -3.04 119.26 121.20 3hai h ALA 135 Ca -0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3hai h ALA 135 Cb 0.50 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hai h ALA 135 CO 0.01 0.56 0.16 1.49 0.00 0.00 0.00 179.25 181.46 3hai h GLU 136 N -0.11 0.46 -0.81 0.00 4.81 -0.34 -1.22 114.58 117.36 3hai h GLU 136 Ca -0.21 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3hai h GLU 136 Cb 1.91 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 31.17 3hai h GLU 136 CO 0.21 0.42 0.50 -0.44 -0.73 0.00 0.00 179.01 178.98 3hai h ASP 137 N 0.39 0.97 -0.75 1.04 3.32 -1.36 0.47 116.42 120.50 3hai h ASP 137 Ca 0.11 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hai h ASP 137 Cb 0.11 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3hai h ASP 137 CO -0.01 0.73 0.49 1.23 -1.72 0.00 0.00 179.24 179.96 3hai h GLY 138 N 1.13 1.05 1.02 2.75 0.00 -1.14 -0.74 103.07 107.14 3hai h GLY 138 Ca 0.29 -0.38 -0.33 0.00 0.00 0.00 0.00 47.33 46.92 3hai h GLY 138 CO -0.06 0.36 -1.69 0.74 0.00 0.00 0.00 176.54 175.89 3hai h PHE 139 N 0.98 0.45 -0.04 5.60 0.04 -0.25 -2.98 116.94 120.75 3hai h PHE 139 Ca 0.28 -0.33 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3hai h PHE 139 Cb -0.07 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 3hai h PHE 139 CO -0.00 1.48 -0.21 0.00 -0.60 0.00 0.00 178.31 178.98 3hai h ARG 140 N 0.07 -0.30 -0.62 1.51 3.08 0.04 -2.42 114.38 115.74 3hai h ARG 140 Ca -0.30 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 3hai h ARG 140 Cb 2.04 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 32.13 3hai h ARG 140 CO 0.14 -0.20 0.22 0.87 -1.07 0.00 0.00 179.97 179.93 3hai h LYS 141 N -0.31 0.91 0.00 0.04 1.79 -1.27 0.11 116.57 117.84 3hai h LYS 141 Ca 0.07 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3hai h LYS 141 Cb 0.41 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3hai h LYS 141 CO -0.22 0.76 0.00 0.00 -1.08 0.00 0.00 179.45 178.92 3hai n ALA 142 N -2.45 2.15 -0.05 3.86 0.00 -1.09 -3.80 120.51 119.13 3hai n ALA 142 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 3hai n ALA 142 Cb 0.19 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 3hai n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hai n GLN 143 N -1.62 2.08 -0.34 0.00 10.64 -0.93 -4.67 117.38 122.53 3hai n GLN 143 Ca 0.06 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 3hai n GLN 143 Cb 0.31 -1.25 0.05 0.00 -0.86 0.00 0.00 30.24 28.50 3hai n GLN 143 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3hai n LYS 144 N -2.44 -0.18 -0.01 2.61 4.81 0.36 0.20 118.16 123.50 3hai n LYS 144 Ca -0.17 1.38 -0.09 0.00 -0.87 0.00 0.00 58.31 58.57 3hai n LYS 144 Cb 0.80 -2.05 -0.03 0.00 0.02 0.00 0.00 35.03 33.77 3hai n LYS 144 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3hai h PRO 145 N 0.00 -0.18 0.00 1.64 0.11 -1.84 -1.54 132.00 130.19 3hai h PRO 145 Ca 0.34 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3hai h PRO 145 Cb 0.56 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3hai h PRO 145 CO -0.90 -0.12 0.00 1.87 -0.21 0.00 0.00 178.00 178.65 3hai n TRP 146 N -5.31 0.90 -0.10 0.65 -0.00 0.50 -3.43 117.44 110.66 3hai n TRP 146 Ca -0.02 0.28 -0.06 0.00 -0.00 0.00 0.00 57.50 57.70 3hai n TRP 146 Cb 0.22 -0.96 0.12 0.00 -0.00 0.00 0.00 31.31 30.69 3hai n TRP 146 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3hai h ALA 147 N 2.46 0.98 0.00 5.87 0.00 0.33 -2.76 119.26 126.14 3hai h ALA 147 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3hai h ALA 147 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hai h ALA 147 CO 0.00 0.60 -0.78 0.87 0.00 0.00 0.00 179.25 179.94 3hai h LYS 148 N 0.71 0.00 0.00 0.00 6.56 -1.54 -3.11 116.57 119.18 3hai h LYS 148 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 3hai h LYS 148 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 3hai h LYS 148 CO 0.04 0.10 0.00 0.87 -2.06 0.00 0.00 179.45 178.40 3hai h LYS 149 N 0.00 0.00 0.00 3.15 1.57 -1.55 -0.82 116.57 118.93 3hai h LYS 149 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hai h LYS 149 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3hai h LYS 149 CO 0.01 0.00 -1.07 -1.33 -0.57 0.00 0.00 179.45 176.49 3hai n MET 150 N -2.71 0.13 0.11 3.15 2.81 -1.06 -3.20 117.12 116.35 3hai n MET 150 Ca 0.01 -0.03 -0.23 0.00 -1.81 0.00 0.00 57.70 55.64 3hai n MET 150 Cb 0.23 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 31.08 3hai n MET 150 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3hai h LYS 151 N 0.00 0.57 -0.15 0.03 1.79 -1.34 -2.86 116.57 114.62 3hai h LYS 151 Ca 0.00 -0.84 -0.07 0.00 -2.18 0.00 0.00 60.65 57.56 3hai h LYS 151 Cb 0.60 0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 3hai h LYS 151 CO 0.00 1.39 -0.23 0.93 -1.08 0.00 0.00 179.45 180.46 3hai h GLU 152 N 0.17 0.26 0.04 3.15 5.08 -1.30 -3.12 114.58 118.86 3hai h GLU 152 Ca -0.21 -0.08 -0.26 0.00 -1.00 0.00 0.00 59.36 57.81 3hai h GLU 152 Cb 1.97 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.17 3hai h GLU 152 CO 0.24 0.48 -1.30 1.25 -1.00 0.00 0.00 179.01 178.69 3hai h LEU 153 N 0.24 0.14 -0.63 1.33 5.85 -1.61 -1.71 115.31 118.92 3hai h LEU 153 Ca 0.04 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 3hai h LEU 153 Cb 0.55 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3hai h LEU 153 CO 0.04 1.15 0.03 -0.08 -0.34 0.00 0.00 178.44 179.23 3hai h GLU 154 N 0.02 1.09 0.15 1.25 4.57 -1.48 -2.40 114.58 117.78 3hai h GLU 154 Ca -0.14 -0.33 -0.31 0.00 -1.18 0.00 0.00 59.36 57.40 3hai h GLU 154 Cb 1.90 -0.11 0.03 0.00 -0.16 0.00 0.00 28.75 30.42 3hai h GLU 154 CO 0.13 1.04 -1.31 0.00 -1.18 0.00 0.00 179.01 177.70 3hai h ALA 155 N 1.00 -0.04 0.00 2.92 0.00 -1.62 -2.45 119.26 119.07 3hai h ALA 155 Ca 0.18 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3hai h ALA 155 Cb 0.53 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3hai h ALA 155 CO 0.03 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.97 3hai n ALA 156 N -2.69 1.20 -0.11 0.00 0.00 -0.64 -0.61 120.51 117.66 3hai n ALA 156 Ca -0.14 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 3hai n ALA 156 Cb 1.02 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 19.08 3hai n ALA 156 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3hai n LYS 157 N -2.05 0.72 -0.25 0.00 2.85 -0.91 -3.78 118.16 114.74 3hai n LYS 157 Ca -0.00 0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.46 3hai n LYS 157 Cb 0.08 -1.49 0.39 0.00 -0.65 0.00 0.00 35.03 33.36 3hai n LYS 157 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 3hai h LYS 158 N 0.00 0.64 0.22 -1.58 1.57 -0.67 0.13 116.57 116.88 3hai h LYS 158 Ca -0.54 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 3hai h LYS 158 Cb 1.99 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.16 3hai h LYS 158 CO -0.04 0.42 -0.10 0.00 -0.57 0.00 0.00 179.45 179.16 3hai h ALA 159 N 1.60 -0.29 -0.95 3.86 0.00 -1.03 -1.34 119.26 121.12 3hai h ALA 159 Ca 0.42 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3hai h ALA 159 Cb 0.70 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 3hai h ALA 159 CO -0.18 -0.43 0.58 -0.92 0.00 0.00 0.00 179.25 178.29 3hai h TYR 160 N -0.75 1.05 -0.50 0.00 3.20 -1.53 0.13 116.97 118.56 3hai h TYR 160 Ca -0.03 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 3hai h TYR 160 Cb 0.50 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3hai h TYR 160 CO 0.05 0.41 -0.09 0.45 -1.64 0.00 0.00 178.16 177.34 3hai h HIS 161 N 0.92 1.00 -0.43 -3.82 3.86 -0.74 -1.31 115.15 114.62 3hai h HIS 161 Ca 0.47 -0.19 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 3hai h HIS 161 Cb 0.47 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3hai h HIS 161 CO -0.02 0.94 0.12 1.25 0.86 0.00 0.00 177.93 181.08 3hai h LEU 162 N 0.81 0.64 -1.00 2.43 6.46 0.34 -2.22 115.31 122.77 3hai h LEU 162 Ca 0.13 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.60 3hai h LEU 162 Cb 0.61 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 3hai h LEU 162 CO 0.04 0.69 -0.13 0.00 -0.62 0.00 0.00 178.44 178.42 3hai h ALA 163 N 0.97 1.17 0.00 1.25 0.00 -0.82 -2.31 119.26 119.52 3hai h ALA 163 Ca 0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3hai h ALA 163 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hai h ALA 163 CO -0.00 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.59 3hai h LYS 165 N 0.00 0.00 0.00 0.00 3.64 -1.00 -3.13 116.57 116.08 3hai h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hai h LYS 165 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3hai h LYS 165 CO 0.02 0.00 0.28 -1.91 -2.27 0.00 0.00 179.45 175.57 3hai n GLU 166 N -3.40 0.08 -0.07 1.90 4.07 -0.91 -1.03 120.64 121.27 3hai n GLU 166 Ca -0.00 0.53 -0.12 0.00 -0.06 0.00 0.00 57.16 57.51 3hai n GLU 166 Cb 0.00 -2.03 -0.09 0.00 -0.06 0.00 0.00 31.44 29.26 3hai n GLU 166 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3hai h GLU 167 N 0.00 0.00 0.00 5.31 4.22 -1.41 -2.67 114.58 120.04 3hai h GLU 167 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 3hai h GLU 167 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hai h GLU 167 CO 0.00 0.74 -0.14 -0.22 -2.18 0.00 0.00 179.01 177.21 3hai h LYS 168 N -1.00 0.00 -0.60 1.92 3.64 -1.24 -1.49 116.57 117.80 3hai h LYS 168 Ca -0.07 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 3hai h LYS 168 Cb 0.83 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 3hai h LYS 168 CO -0.04 0.14 0.02 1.25 -2.27 0.00 0.00 179.45 178.55 3hai h LEU 169 N 0.00 1.02 -0.05 5.20 5.85 -1.18 -2.43 115.31 123.72 3hai h LEU 169 Ca -0.00 -0.30 -0.25 0.00 0.84 0.00 0.00 57.88 58.17 3hai h LEU 169 Cb 0.77 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.53 3hai h LEU 169 CO 0.02 1.07 -1.07 0.00 -0.34 0.00 0.00 178.44 178.11 3hai h ALA 170 N 0.99 0.24 0.47 1.25 0.00 -1.09 -2.93 119.26 118.19 3hai h ALA 170 Ca 0.17 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3hai h ALA 170 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hai h ALA 170 CO 0.03 0.85 -0.23 0.52 0.00 0.00 0.00 179.25 180.42 3hai h MET 171 N 0.18 -0.61 0.00 0.00 2.86 -1.29 0.29 114.93 116.36 3hai h MET 171 Ca -0.11 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3hai h MET 171 Cb 1.74 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.54 3hai h MET 171 CO 0.18 -0.38 0.00 0.25 1.06 0.00 0.00 176.91 178.02 3hai n THR 172 N -5.34 0.46 -0.06 2.22 -2.24 -0.92 -0.22 114.28 108.17 3hai n THR 172 Ca -0.12 0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3hai n THR 172 Cb 0.28 -0.87 -0.15 0.00 -2.10 0.00 0.00 70.33 67.49 3hai n THR 172 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hai n ARG 173 N -1.22 0.67 0.11 -0.78 1.74 -0.94 -1.46 116.66 114.78 3hai n ARG 173 Ca 0.08 0.14 0.02 0.00 -0.77 0.00 0.00 57.85 57.32 3hai n ARG 173 Cb 0.10 -1.64 0.36 0.00 -1.02 0.00 0.00 32.46 30.26 3hai n ARG 173 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3hai h GLU 174 N 0.00 0.24 0.10 5.56 4.81 0.78 -2.77 114.58 123.31 3hai h GLU 174 Ca -0.44 -0.06 -0.34 0.00 -0.13 0.00 0.00 59.36 58.39 3hai h GLU 174 Cb 2.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.44 3hai h GLU 174 CO 0.05 0.41 -1.85 1.98 -0.73 0.00 0.00 179.01 178.87 3hai h MET 175 N 0.23 0.20 0.00 1.92 4.05 -0.70 -2.84 114.93 117.79 3hai h MET 175 Ca 0.04 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 59.12 3hai h MET 175 Cb 0.43 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 3hai h MET 175 CO 0.03 1.02 0.00 0.09 0.23 0.00 0.00 176.91 178.28 3hai n ASN 176 N -3.37 0.40 -0.01 1.39 4.13 -0.54 -2.39 115.26 114.87 3hai n ASN 176 Ca -0.26 0.62 0.00 0.00 1.68 0.00 0.00 54.58 56.62 3hai n ASN 176 Cb 1.05 -0.70 -0.12 0.00 -1.54 0.00 0.00 39.78 38.48 3hai n ASN 176 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3hai n SER 177 N -1.96 0.45 0.30 6.41 2.88 -1.05 -4.38 113.62 116.27 3hai n SER 177 Ca 0.02 0.19 0.19 0.00 -1.33 0.00 0.00 58.87 57.94 3hai n SER 177 Cb 0.16 0.79 0.95 0.00 -0.75 0.00 0.00 64.21 65.36 3hai n SER 177 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3hai h LYS 178 N 0.00 0.00 -0.48 -1.46 1.57 -1.22 0.33 116.57 115.31 3hai h LYS 178 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3hai h LYS 178 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.93 3hai h LYS 178 CO 0.03 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.18 3hai n THR 179 N -3.19 2.14 -3.99 -0.16 -2.24 -1.26 -4.80 114.28 100.79 3hai n THR 179 Ca -0.02 -1.44 -0.33 0.00 -2.27 0.00 0.00 64.05 59.99 3hai n THR 179 Cb 0.18 -0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.21 3hai n THR 179 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hai s GLU 180 N -2.30 2.14 -0.01 -0.78 8.01 0.10 -5.10 118.70 120.77 3hai s GLU 180 Ca 0.47 -1.46 0.00 0.00 0.01 0.00 0.00 54.97 53.99 3hai s GLU 180 Cb 0.33 -3.10 0.01 0.00 -4.31 0.00 0.00 34.13 27.07 3hai s GLU 180 CO 0.17 -0.70 -0.01 -1.14 0.01 0.00 0.00 175.26 173.59 3hai s GLN 181 N 1.11 0.16 0.88 1.61 0.74 -1.26 -4.01 119.66 118.88 3hai s GLN 181 Ca -0.03 -0.01 -0.12 0.00 0.05 0.00 0.00 55.36 55.26 3hai s GLN 181 Cb -0.20 -0.22 0.12 0.00 1.10 0.00 0.00 33.01 33.81 3hai s GLN 181 CO -0.04 -0.02 1.12 -1.12 -0.55 0.00 0.00 175.29 174.67 3hai s SER 182 N 0.30 3.77 0.36 6.67 0.01 -1.26 -5.18 113.70 118.38 3hai s SER 182 Ca -0.03 1.15 -0.15 0.00 1.31 0.00 0.00 55.95 58.23 3hai s SER 182 Cb -0.05 -1.80 0.04 0.00 0.21 0.00 0.00 66.02 64.43 3hai s SER 182 CO -0.01 -2.41 0.75 0.54 0.41 0.00 0.00 173.24 172.52 3hai s VAL 183 N -3.18 0.00 0.25 3.43 0.11 -1.26 -5.20 120.40 114.56 3hai s VAL 183 Ca 0.63 -1.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.62 3hai s VAL 183 Cb -0.15 -2.71 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 3hai s VAL 183 CO 0.54 0.00 0.23 0.28 -3.33 0.00 0.00 175.10 172.82 3hai s THR 184 N -2.65 0.00 0.24 5.04 -1.32 -1.26 -4.90 115.64 110.79 3hai s THR 184 Ca 0.16 -1.91 -0.06 0.00 -1.21 0.00 0.00 61.69 58.67 3hai s THR 184 Cb -0.05 -2.48 0.21 0.00 -1.51 0.00 0.00 72.50 68.67 3hai s THR 184 CO 0.11 0.00 1.85 1.55 -2.21 0.00 0.00 174.62 175.93 3hai h PRO 185 N 2.42 1.24 0.02 7.08 0.13 -2.01 -0.70 132.00 140.17 3hai h PRO 185 Ca -0.32 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hai h PRO 185 Cb 1.24 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3hai h PRO 185 CO 0.46 0.91 -0.01 0.93 -0.23 0.00 0.00 178.00 180.06 3hai h GLU 186 N 1.24 -0.02 0.00 0.86 4.39 -1.99 -0.57 114.58 118.48 3hai h GLU 186 Ca 0.31 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 3hai h GLU 186 Cb 0.05 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3hai h GLU 186 CO -0.05 0.22 -0.06 1.96 -1.16 0.00 0.00 179.01 179.92 3hai h GLN 187 N -0.27 0.00 0.00 2.33 4.20 -1.91 -0.64 115.11 118.82 3hai h GLN 187 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 3hai h GLN 187 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3hai h GLN 187 CO 0.00 0.06 -0.59 1.96 -0.67 0.00 0.00 178.83 179.60 3hai h GLN 188 N 0.00 0.00 0.11 1.46 4.20 -0.76 -2.78 115.11 117.34 3hai h GLN 188 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 3hai h GLN 188 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3hai h GLN 188 CO 0.01 0.37 -1.46 -0.22 -0.67 0.00 0.00 178.83 176.85 3hai h LYS 189 N 0.00 0.24 0.07 1.46 1.63 -0.15 -3.15 116.57 116.66 3hai h LYS 189 Ca -0.03 -0.41 -0.00 0.00 -0.85 0.00 0.00 60.65 59.37 3hai h LYS 189 Cb 1.34 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 33.11 3hai h LYS 189 CO 0.05 1.11 -0.04 -0.22 -3.45 0.00 0.00 179.45 176.90 3hai h LYS 190 N 0.06 -0.11 0.00 1.90 3.64 -1.18 0.21 116.57 121.10 3hai h LYS 190 Ca -0.21 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3hai h LYS 190 Cb 2.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 3hai h LYS 190 CO 0.17 -0.07 0.00 -0.07 -2.27 0.00 0.00 179.45 177.21 3hai h LEU 191 N -0.11 0.00 0.03 5.20 3.38 -1.62 0.68 115.31 122.86 3hai h LEU 191 Ca -0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3hai h LEU 191 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3hai h LEU 191 CO 0.00 0.00 -1.59 -0.61 0.09 0.00 0.00 178.44 176.34 3hai h GLN 192 N 0.00 0.05 0.52 1.13 -0.00 -1.16 -3.10 115.11 112.56 3hai h GLN 192 Ca 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 3hai h GLN 192 Cb 0.11 0.03 0.01 0.00 0.00 0.00 0.00 27.48 27.63 3hai h GLN 192 CO 0.00 0.72 -0.25 -0.44 0.00 0.00 0.00 178.83 178.86 3hai h ASP 193 N 0.01 -0.59 -0.76 -0.69 3.32 0.16 -2.33 116.42 115.54 3hai h ASP 193 Ca -0.24 -0.06 0.17 0.00 0.02 0.00 0.00 57.03 56.91 3hai h ASP 193 Cb 1.97 0.15 -0.14 0.00 0.22 0.00 0.00 39.33 41.54 3hai h ASP 193 CO 0.10 -0.23 -0.07 0.11 -1.72 0.00 0.00 179.24 177.43 3hai h LYS 194 N -1.01 0.06 -0.66 3.56 1.57 -1.31 0.14 116.57 118.91 3hai h LYS 194 Ca -0.07 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3hai h LYS 194 Cb 0.62 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3hai h LYS 194 CO 0.12 0.04 0.31 0.28 -0.57 0.00 0.00 179.45 179.63 3hai h VAL 195 N 0.06 1.23 -0.47 0.50 2.07 -1.52 0.12 116.25 118.23 3hai h VAL 195 Ca 0.40 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3hai h VAL 195 Cb 0.68 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3hai h VAL 195 CO -0.72 0.26 0.02 -0.78 0.02 0.00 0.00 177.57 176.38 3hai h ASP 196 N 0.92 0.79 -0.54 0.57 3.58 -0.59 -1.72 116.42 119.43 3hai h ASP 196 Ca 0.23 -0.30 -0.08 0.00 0.42 0.00 0.00 57.03 57.30 3hai h ASP 196 Cb 0.13 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3hai h ASP 196 CO -0.03 0.89 0.04 0.50 -2.88 0.00 0.00 179.24 177.77 3hai h LYS 197 N 0.67 0.96 -0.12 0.28 3.64 -0.38 -2.58 116.57 119.05 3hai h LYS 197 Ca 0.13 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 3hai h LYS 197 Cb 0.48 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3hai h LYS 197 CO 0.02 0.92 -0.55 0.00 -2.27 0.00 0.00 179.45 177.58 3hai h LYS 199 N 0.26 0.00 0.01 0.00 3.64 -0.94 -2.51 116.57 117.03 3hai h LYS 199 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3hai h LYS 199 Cb 1.04 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3hai h LYS 199 CO 0.09 0.00 -0.44 1.96 -2.27 0.00 0.00 179.45 178.79 3hai h GLN 200 N 0.00 0.28 0.09 1.90 4.20 -1.04 -3.10 115.11 117.43 3hai h GLN 200 Ca 0.00 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.41 3hai h GLN 200 Cb 0.46 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 3hai h GLN 200 CO 0.00 1.03 -0.16 -0.44 -0.67 0.00 0.00 178.83 178.59 3hai h ASP 201 N -0.34 -0.45 -0.94 1.46 5.19 -1.27 0.74 116.42 120.80 3hai h ASP 201 Ca -0.06 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.51 3hai h ASP 201 Cb 1.20 0.17 -0.13 0.00 0.18 0.00 0.00 39.33 40.75 3hai h ASP 201 CO 0.09 -0.24 -0.52 0.58 -3.12 0.00 0.00 179.24 176.03 3hai h VAL 202 N -0.32 0.01 -0.25 -1.35 2.07 -1.58 0.62 116.25 115.45 3hai h VAL 202 Ca 0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3hai h VAL 202 Cb 0.34 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3hai h VAL 202 CO -0.09 0.00 -0.13 1.56 0.02 0.00 0.00 177.57 178.93 3hai h GLN 203 N -0.04 0.41 -0.04 1.57 1.08 -1.35 0.42 115.11 117.16 3hai h GLN 203 Ca 0.21 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 3hai h GLN 203 Cb 0.49 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3hai h GLN 203 CO -0.92 0.54 -0.19 -0.22 -0.95 0.00 0.00 178.83 177.08 3hai h LYS 204 N 0.38 0.20 -0.07 1.46 3.64 0.54 -1.58 116.57 121.14 3hai h LYS 204 Ca 0.07 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 3hai h LYS 204 Cb 0.46 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3hai h LYS 204 CO 0.03 0.82 -0.50 1.79 -2.27 0.00 0.00 179.45 179.31 3hai h THR 205 N -0.36 1.35 0.00 1.00 1.35 0.27 -1.46 112.91 115.06 3hai h THR 205 Ca -0.01 -1.74 -0.06 0.00 -0.55 0.00 0.00 66.41 64.05 3hai h THR 205 Cb 0.85 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3hai h THR 205 CO 0.04 0.51 -0.30 -0.61 -0.25 0.00 0.00 175.52 174.91 3hai h GLN 206 N 0.15 0.00 0.35 4.72 4.15 -0.18 -0.97 115.11 123.34 3hai h GLN 206 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 3hai h GLN 206 Cb 0.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.63 3hai h GLN 206 CO 0.07 0.30 -0.17 1.49 -1.93 0.00 0.00 178.83 178.60 3hai h GLU 207 N 0.00 -0.46 -0.34 1.69 4.81 -0.81 -2.13 114.58 117.34 3hai h GLU 207 Ca -0.00 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3hai h GLU 207 Cb 0.79 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 3hai h GLU 207 CO 0.04 -0.26 -0.45 -0.22 -0.73 0.00 0.00 179.01 177.39 3hai h LYS 208 N -1.10 -0.30 -0.80 1.92 3.64 -1.26 0.22 116.57 118.89 3hai h LYS 208 Ca -0.05 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.53 3hai h LYS 208 Cb 0.42 0.07 -0.15 0.00 -0.41 0.00 0.00 32.23 32.16 3hai h LYS 208 CO 0.08 -0.20 -0.07 -0.92 -2.27 0.00 0.00 179.45 176.07 3hai h TYR 209 N -0.32 -0.19 0.00 1.91 5.03 -1.30 0.26 116.97 122.36 3hai h TYR 209 Ca 0.06 0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 3hai h TYR 209 Cb 0.48 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.96 3hai h TYR 209 CO -0.71 -0.30 -0.18 0.93 -1.32 0.00 0.00 178.16 176.58 3hai h GLU 210 N 0.05 0.00 0.01 1.82 5.08 -0.20 -0.08 114.58 121.26 3hai h GLU 210 Ca 0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3hai h GLU 210 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3hai h GLU 210 CO -0.76 0.18 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.21 3hai h LYS 211 N 0.00 -0.01 0.00 2.33 3.64 0.24 -2.75 116.57 120.01 3hai h LYS 211 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hai h LYS 211 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3hai h LYS 211 CO 0.02 0.79 0.00 0.28 -2.27 0.00 0.00 179.45 178.28 3hai h VAL 212 N -0.91 0.00 0.14 2.00 2.07 -0.76 -2.98 116.25 115.81 3hai h VAL 212 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hai h VAL 212 Cb 0.81 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3hai h VAL 212 CO 0.00 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.78 3hai h LEU 213 N 0.00 -0.16 -1.62 2.57 5.85 -0.94 -3.11 115.31 117.89 3hai h LEU 213 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3hai h LEU 213 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hai h LEU 213 CO 0.00 0.29 0.00 -0.08 -0.34 0.00 0.00 178.44 178.31 3hai h GLU 214 N -0.99 0.00 0.00 1.25 4.81 -1.46 -1.06 114.58 117.12 3hai h GLU 214 Ca -0.02 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 3hai h GLU 214 Cb 0.14 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 3hai h GLU 214 CO 0.03 0.00 -1.15 0.38 -0.73 0.00 0.00 179.01 177.54 3hai h ASP 215 N 0.00 0.00 -0.50 1.04 2.03 -1.66 -2.80 116.42 114.54 3hai h ASP 215 Ca 0.00 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 3hai h ASP 215 Cb 0.30 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.78 3hai h ASP 215 CO 0.00 0.91 -0.16 0.58 -1.03 0.00 0.00 179.24 179.54 3hai h VAL 216 N 0.00 1.27 0.00 4.15 2.07 -1.17 -1.55 116.25 121.02 3hai h VAL 216 Ca -0.09 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3hai h VAL 216 Cb 1.77 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.59 3hai h VAL 216 CO 0.10 0.46 0.00 0.61 0.02 0.00 0.00 177.57 178.76 3hai n GLY 217 N -0.20 -0.60 0.13 2.17 0.00 -0.53 -2.89 105.19 103.27 3hai n GLY 217 Ca 0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 3hai n GLY 217 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hai n LYS 218 N -1.10 0.66 -0.46 1.61 4.81 -0.63 -4.24 118.16 118.82 3hai n LYS 218 Ca 0.11 0.29 -0.03 0.00 -0.87 0.00 0.00 58.31 57.80 3hai n LYS 218 Cb 0.08 -1.62 0.13 0.00 0.02 0.00 0.00 35.03 33.64 3hai n LYS 218 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3hai n THR 219 N -3.73 1.55 0.06 3.15 -2.24 -0.95 -4.45 114.28 107.67 3hai n THR 219 Ca -0.40 -0.72 -0.03 0.00 -2.27 0.00 0.00 64.05 60.63 3hai n THR 219 Cb 0.93 -0.57 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 3hai n THR 219 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hai h THR 220 N 1.18 0.00 -0.15 4.28 1.35 -1.72 -1.99 112.91 115.86 3hai h THR 220 Ca 0.12 -0.23 0.04 0.00 -0.55 0.00 0.00 66.41 65.80 3hai h THR 220 Cb 1.45 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 3hai h THR 220 CO 0.34 0.00 0.14 -0.65 -0.25 0.00 0.00 175.52 175.10 3hai h PRO 221 N -0.41 0.00 0.00 4.72 0.11 -1.89 0.82 132.00 135.35 3hai h PRO 221 Ca -0.02 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 3hai h PRO 221 Cb 0.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3hai h PRO 221 CO 0.03 0.00 -0.58 0.37 -0.21 0.00 0.00 178.00 177.61 3hai h GLN 222 N 0.00 0.00 0.18 1.05 5.75 -1.83 0.30 115.11 120.55 3hai h GLN 222 Ca 0.07 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 58.32 3hai h GLN 222 Cb 0.35 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.92 3hai h GLN 222 CO -0.00 0.58 -1.14 -0.92 -2.65 0.00 0.00 178.83 174.70 3hai h TYR 223 N 0.00 0.69 -0.78 3.99 3.20 0.23 -2.58 116.97 121.72 3hai h TYR 223 Ca -0.01 -0.51 0.14 0.00 3.14 0.00 0.00 58.73 61.50 3hai h TYR 223 Cb 1.05 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 3hai h TYR 223 CO 0.00 1.44 0.34 0.52 -1.64 0.00 0.00 178.16 178.82 3hai h MET 224 N -0.17 0.48 0.00 1.82 2.86 0.71 -0.65 114.93 119.98 3hai h MET 224 Ca -0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3hai h MET 224 Cb 1.85 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.40 3hai h MET 224 CO 0.19 0.32 -1.14 0.39 1.06 0.00 0.00 176.91 177.73 3hai n GLU 225 N -4.96 0.28 0.00 1.72 4.71 0.10 -3.03 120.64 119.45 3hai n GLU 225 Ca 0.15 -0.03 0.13 0.00 -0.01 0.00 0.00 57.16 57.40 3hai n GLU 225 Cb 0.42 -1.56 0.39 0.00 -1.01 0.00 0.00 31.44 29.68 3hai n GLU 225 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3hai n ASN 226 N -1.90 0.59 -0.04 1.62 2.85 -0.91 -3.00 115.26 114.48 3hai n ASN 226 Ca 0.02 -0.41 -0.22 0.00 -0.11 0.00 0.00 54.58 53.86 3hai n ASN 226 Cb 0.43 0.08 -0.13 0.00 1.24 0.00 0.00 39.78 41.40 3hai n ASN 226 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 3hai n MET 227 N -1.16 0.69 0.07 1.20 1.56 -0.30 -4.26 117.12 114.92 3hai n MET 227 Ca 0.09 0.37 0.10 0.00 -0.27 0.00 0.00 57.70 58.00 3hai n MET 227 Cb 0.33 -1.72 0.42 0.00 2.15 0.00 0.00 33.22 34.40 3hai n MET 227 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3hai n GLU 228 N -3.83 0.11 0.23 2.12 1.02 -1.17 -2.42 120.64 116.71 3hai n GLU 228 Ca -0.32 0.31 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 3hai n GLU 228 Cb 0.92 -1.70 -0.04 0.00 -0.02 0.00 0.00 31.44 30.60 3hai n GLU 228 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3hai h GLN 229 N 0.00 -0.58 -0.58 3.49 1.08 -1.71 -2.75 115.11 114.05 3hai h GLN 229 Ca 0.00 0.04 0.17 0.00 -1.45 0.00 0.00 58.65 57.41 3hai h GLN 229 Cb 0.36 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3hai h GLN 229 CO 0.00 -0.39 0.46 0.28 -0.95 0.00 0.00 178.83 178.24 3hai h VAL 230 N -0.68 0.58 0.28 -0.54 2.07 -1.68 -2.42 116.25 113.86 3hai h VAL 230 Ca -0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3hai h VAL 230 Cb 0.46 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3hai h VAL 230 CO 0.10 0.00 -0.14 0.15 0.02 0.00 0.00 177.57 177.71 3hai h PHE 231 N 0.00 -0.35 0.00 1.57 3.04 -1.42 -0.53 116.94 119.26 3hai h PHE 231 Ca 0.28 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.20 3hai h PHE 231 Cb 1.20 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.82 3hai h PHE 231 CO 0.00 -0.07 -0.09 0.93 -2.02 0.00 0.00 178.31 177.06 3hai h GLU 232 N -0.61 0.00 -0.15 1.11 3.07 -1.14 0.55 114.58 117.41 3hai h GLU 232 Ca -0.04 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 3hai h GLU 232 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3hai h GLU 232 CO 0.06 0.09 -0.25 0.37 -1.40 0.00 0.00 179.01 177.89 3hai h GLN 233 N 0.00 0.26 0.00 2.33 4.15 -1.08 -1.35 115.11 119.42 3hai h GLN 233 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3hai h GLN 233 Cb 0.21 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.87 3hai h GLN 233 CO 0.01 0.50 -1.02 0.00 -1.93 0.00 0.00 178.83 176.38 3hai n GLN 235 N -2.53 0.09 0.05 0.00 6.02 0.12 -3.19 117.38 117.93 3hai n GLN 235 Ca 0.00 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 3hai n GLN 235 Cb 0.53 -1.51 -0.13 0.00 1.02 0.00 0.00 30.24 30.15 3hai n GLN 235 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3hai h GLN 236 N 0.00 0.06 0.00 -1.09 5.75 -1.34 -2.30 115.11 116.19 3hai h GLN 236 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3hai h GLN 236 Cb 0.57 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.15 3hai h GLN 236 CO 0.00 0.94 -0.70 0.34 -2.65 0.00 0.00 178.83 176.75 3hai n PHE 237 N -3.32 0.20 -0.02 3.99 -0.00 -1.23 -1.93 117.46 115.16 3hai n PHE 237 Ca -0.06 0.06 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 3hai n PHE 237 Cb 0.98 -0.38 -0.14 0.00 -0.00 0.00 0.00 39.48 39.94 3hai n PHE 237 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 3hai h GLU 238 N 0.00 0.01 0.00 -4.13 4.57 -1.62 -3.30 114.58 110.11 3hai h GLU 238 Ca 0.00 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3hai h GLU 238 Cb 0.62 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3hai h GLU 238 CO 0.00 0.54 -0.10 1.49 -1.18 0.00 0.00 179.01 179.76 3hai h GLU 239 N 0.00 0.00 -0.15 1.92 4.81 -1.35 -1.99 114.58 117.82 3hai h GLU 239 Ca -0.28 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 3hai h GLU 239 Cb 2.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 3hai h GLU 239 CO 0.08 0.10 -0.26 -0.22 -0.73 0.00 0.00 179.01 177.99 3hai h LYS 240 N 0.00 0.28 0.01 1.92 1.63 -1.46 -2.64 116.57 116.31 3hai h LYS 240 Ca -0.00 -0.10 -0.41 0.00 -0.85 0.00 0.00 60.65 59.29 3hai h LYS 240 Cb 0.47 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.01 3hai h LYS 240 CO 0.01 0.52 -2.38 2.89 -3.45 0.00 0.00 179.45 177.05 3hai n ARG 241 N -4.15 0.62 0.10 1.90 1.85 -1.02 -3.52 116.66 112.44 3hai n ARG 241 Ca -0.01 0.25 0.05 0.00 -1.00 0.00 0.00 57.85 57.14 3hai n ARG 241 Cb 0.37 -1.54 0.26 0.00 -1.05 0.00 0.00 32.46 30.51 3hai n ARG 241 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3hai n LEU 242 N -3.85 0.25 -0.06 2.89 4.77 -0.78 0.19 117.00 120.41 3hai n LEU 242 Ca -0.48 0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 3hai n LEU 242 Cb 0.92 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 3hai n LEU 242 CO 0.15 -0.61 -0.19 1.62 -1.33 0.00 0.00 177.39 177.04 3hai h VAL 243 N 0.00 1.24 0.31 4.08 3.04 -1.62 -3.23 116.25 120.07 3hai h VAL 243 Ca 0.00 -2.31 0.00 0.00 -1.01 0.00 0.00 66.70 63.38 3hai h VAL 243 Cb 0.36 2.76 -0.02 0.00 -2.01 0.00 0.00 31.29 32.38 3hai h VAL 243 CO 0.00 0.53 -0.34 0.15 -1.01 0.00 0.00 177.57 176.90 3hai h PHE 244 N -0.78 -0.92 -0.71 3.17 3.04 0.12 -2.81 116.94 118.06 3hai h PHE 244 Ca -0.22 0.01 0.15 0.00 3.98 0.00 0.00 57.97 61.89 3hai h PHE 244 Cb 1.35 0.36 -0.11 0.00 2.56 0.00 0.00 35.95 40.12 3hai h PHE 244 CO 0.17 -0.48 0.16 1.25 -2.02 0.00 0.00 178.31 177.38 3hai h LEU 245 N -0.69 -0.01 -1.91 0.59 6.46 0.18 0.63 115.31 120.55 3hai h LEU 245 Ca -0.01 0.14 0.10 0.00 -0.12 0.00 0.00 57.88 57.99 3hai h LEU 245 Cb 0.64 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 3hai h LEU 245 CO -0.08 -0.04 0.28 0.50 -0.62 0.00 0.00 178.44 178.49 3hai h LYS 246 N 0.26 0.10 0.13 1.25 3.64 -1.52 -1.48 116.57 118.94 3hai h LYS 246 Ca 0.39 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.58 3hai h LYS 246 Cb 0.66 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3hai h LYS 246 CO -0.50 0.06 -0.88 1.49 -2.27 0.00 0.00 179.45 177.35 3hai h GLU 247 N 0.10 0.27 -0.78 1.90 4.81 0.39 -3.00 114.58 118.27 3hai h GLU 247 Ca 0.19 -0.47 0.08 0.00 -0.13 0.00 0.00 59.36 59.03 3hai h GLU 247 Cb 0.62 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.11 3hai h GLU 247 CO -0.02 1.22 0.45 0.28 -0.73 0.00 0.00 179.01 180.22 3hai h VAL 248 N -0.40 0.95 0.00 0.32 2.07 -1.06 0.24 116.25 118.37 3hai h VAL 248 Ca -0.17 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hai h VAL 248 Cb 1.63 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3hai h VAL 248 CO 0.13 0.14 0.00 0.18 0.02 0.00 0.00 177.57 178.04 3hai n LEU 249 N -4.73 0.00 -0.04 2.57 4.77 -0.59 0.15 117.00 119.14 3hai n LEU 249 Ca 0.12 0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 56.47 3hai n LEU 249 Cb 0.22 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.69 3hai n LEU 249 CO 0.28 -0.31 -0.71 0.18 -1.33 0.00 0.00 177.39 175.50 3hai n LEU 250 N -1.48 0.94 0.06 2.23 4.77 0.63 -3.41 117.00 120.74 3hai n LEU 250 Ca 0.03 0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 3hai n LEU 250 Cb 0.12 0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 3hai n LEU 250 CO 0.09 0.48 0.61 0.44 -1.33 0.00 0.00 177.39 177.68 3hai h ASP 251 N 0.01 -0.14 -0.62 -1.43 3.32 0.74 -1.42 116.42 116.87 3hai h ASP 251 Ca -0.37 -0.31 0.13 0.00 0.02 0.00 0.00 57.03 56.51 3hai h ASP 251 Cb 2.06 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 41.61 3hai h ASP 251 CO 0.06 0.25 0.43 0.40 -1.72 0.00 0.00 179.24 178.66 3hai h ILE 252 N -0.56 0.80 -0.00 0.35 2.04 -0.48 -1.17 117.51 118.49 3hai h ILE 252 Ca -0.02 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 3hai h ILE 252 Cb 0.44 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3hai h ILE 252 CO 0.03 0.05 -0.41 0.50 0.00 0.00 0.00 178.15 178.31 3hai h LYS 253 N 0.26 0.29 0.00 2.37 1.63 -1.56 -2.57 116.57 116.98 3hai h LYS 253 Ca 0.30 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3hai h LYS 253 Cb 0.81 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 3hai h LYS 253 CO -0.07 1.01 0.00 0.54 -3.45 0.00 0.00 179.45 177.48 3hai n ARG 254 N -4.37 0.00 -0.33 1.90 1.74 -0.54 -2.05 116.66 113.01 3hai n ARG 254 Ca -0.10 0.62 0.27 0.00 -0.77 0.00 0.00 57.85 57.88 3hai n ARG 254 Cb 0.58 -1.32 0.52 0.00 -1.02 0.00 0.00 32.46 31.21 3hai n ARG 254 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hai h HIS 255 N 0.00 0.77 0.00 -1.55 3.86 -1.36 -0.03 115.15 116.84 3hai h HIS 255 Ca 0.00 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3hai h HIS 255 Cb 0.00 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 3hai h HIS 255 CO -0.31 -0.37 -0.09 -0.07 0.86 0.00 0.00 177.93 177.95 3hai h LEU 256 N 0.11 0.00 -9.52 2.43 4.07 -0.98 -3.43 115.31 107.99 3hai h LEU 256 Ca 0.78 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 58.18 3hai h LEU 256 Cb 1.94 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.63 3hai h LEU 256 CO -0.73 0.09 0.07 0.21 -1.08 0.00 0.00 178.44 177.00 3hai s ASN 257 N -5.90 7.08 -0.09 -0.43 2.47 -0.03 -4.93 114.94 113.12 3hai s ASN 257 Ca 0.00 1.29 0.08 0.00 0.42 0.00 0.00 52.86 54.65 3hai s ASN 257 Cb 0.10 -2.41 -0.11 0.00 -1.45 0.00 0.00 41.25 37.38 3hai s ASN 257 CO 0.58 0.06 0.03 0.18 -3.72 0.00 0.00 177.10 174.22 3hai n LEU 258 N 2.80 0.02 -0.29 3.21 4.77 -1.26 -4.58 117.00 121.67 3hai n LEU 258 Ca -0.05 -0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.17 3hai n LEU 258 Cb 0.51 0.22 0.56 0.00 -2.33 0.00 0.00 43.42 42.38 3hai n LEU 258 CO 0.45 0.23 1.24 0.00 -1.33 0.00 0.00 177.39 177.98 3hai h ALA 259 N 0.44 2.40 -0.58 -1.18 0.00 -1.99 1.65 119.26 120.01 3hai h ALA 259 Ca -0.24 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3hai h ALA 259 Cb 1.55 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 3hai h ALA 259 CO 0.01 -0.75 0.18 0.39 0.00 0.00 0.00 179.25 179.07 3hai n GLU 260 N -4.50 3.43 -3.70 0.00 4.71 -1.26 -4.80 120.64 114.52 3hai n GLU 260 Ca 0.23 -2.49 -0.38 0.00 -0.01 0.00 0.00 57.16 54.50 3hai n GLU 260 Cb 0.89 -2.06 -0.12 0.00 -1.01 0.00 0.00 31.44 29.14 3hai n GLU 260 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3hai s ASN 261 N -0.69 5.41 0.37 1.62 2.47 0.56 -4.97 114.94 119.71 3hai s ASN 261 Ca 0.44 -0.87 0.14 0.00 0.42 0.00 0.00 52.86 52.99 3hai s ASN 261 Cb 0.35 -1.94 0.98 0.00 -1.45 0.00 0.00 41.25 39.19 3hai s ASN 261 CO 0.11 -0.28 1.79 0.28 -3.72 0.00 0.00 177.10 175.29 3hai h SER 262 N 8.30 0.55 -0.47 -4.21 0.02 -1.87 -1.62 113.55 114.25 3hai h SER 262 Ca -0.28 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3hai h SER 262 Cb 1.11 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 3hai h SER 262 CO 0.62 0.17 0.22 0.28 -1.14 0.00 0.00 176.83 176.98 3hai h SER 263 N 0.52 0.30 0.75 3.07 0.02 -1.93 -2.86 113.55 113.42 3hai h SER 263 Ca 0.56 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.50 3hai h SER 263 Cb 1.22 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.74 3hai h SER 263 CO -0.30 0.22 -0.36 0.22 -1.14 0.00 0.00 176.83 175.47 3hai h TYR 264 N 0.44 -0.93 -0.22 3.45 3.20 -1.55 -2.17 116.97 119.19 3hai h TYR 264 Ca 0.21 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.12 3hai h TYR 264 Cb 0.13 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3hai h TYR 264 CO -0.11 -0.58 0.24 0.97 -1.64 0.00 0.00 178.16 177.04 3hai h ILE 265 N -1.08 0.46 -0.07 1.81 2.10 -1.61 0.28 117.51 119.40 3hai h ILE 265 Ca -0.10 0.00 -0.15 0.00 1.08 0.00 0.00 64.86 65.69 3hai h ILE 265 Cb 0.77 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 3hai h ILE 265 CO 0.17 0.00 -0.62 -0.74 -1.08 0.00 0.00 178.15 175.88 3hai h HIS 266 N 0.00 0.31 -0.78 2.19 2.76 -1.25 -2.62 115.15 115.76 3hai h HIS 266 Ca 0.10 -0.12 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 3hai h HIS 266 Cb 0.59 -0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.43 3hai h HIS 266 CO 0.00 0.80 0.45 0.28 -1.30 0.00 0.00 177.93 178.16 3hai h VAL 267 N 0.18 0.95 0.00 5.26 2.07 0.21 0.40 116.25 125.31 3hai h VAL 267 Ca -0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3hai h VAL 267 Cb 1.13 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3hai h VAL 267 CO 0.10 0.14 -0.41 1.88 0.02 0.00 0.00 177.57 179.30 3hai h TYR 268 N 0.79 0.00 -0.19 1.57 0.05 -1.57 0.93 116.97 118.55 3hai h TYR 268 Ca 0.36 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.94 3hai h TYR 268 Cb 0.27 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.02 3hai h TYR 268 CO -0.06 0.00 -0.70 0.00 -1.05 0.00 0.00 178.16 176.35 3hai h ARG 269 N 0.00 0.79 -0.43 4.88 3.08 -1.07 -2.32 114.38 119.31 3hai h ARG 269 Ca 0.00 -0.59 0.02 0.00 0.07 0.00 0.00 59.98 59.48 3hai h ARG 269 Cb 0.96 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 3hai h ARG 269 CO 0.00 1.21 0.24 0.93 -1.07 0.00 0.00 179.97 181.28 3hai h GLU 270 N 0.56 0.48 -0.60 0.04 4.39 -0.00 -1.75 114.58 117.70 3hai h GLU 270 Ca -0.03 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 3hai h GLU 270 Cb 1.31 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3hai h GLU 270 CO 0.14 0.31 0.01 1.25 -1.16 0.00 0.00 179.01 179.57 3hai h LEU 271 N 0.49 1.01 -0.75 1.33 6.46 -0.81 -1.72 115.31 121.32 3hai h LEU 271 Ca 0.18 -0.28 -0.11 0.00 -0.12 0.00 0.00 57.88 57.55 3hai h LEU 271 Cb 0.04 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 3hai h LEU 271 CO -0.10 1.06 -0.20 -0.08 -0.62 0.00 0.00 178.44 178.50 3hai h GLU 272 N 0.95 0.73 0.18 1.25 4.81 -1.16 -2.11 114.58 119.23 3hai h GLU 272 Ca 0.17 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3hai h GLU 272 Cb 0.54 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3hai h GLU 272 CO 0.03 0.88 -0.08 1.96 -0.73 0.00 0.00 179.01 181.06 3hai h GLN 273 N 0.64 -0.23 -0.25 1.92 4.20 -1.22 -2.49 115.11 117.69 3hai h GLN 273 Ca 0.09 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3hai h GLN 273 Cb 0.69 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 3hai h GLN 273 CO 0.05 -0.13 -0.52 0.00 -0.67 0.00 0.00 178.83 177.55 3hai h ALA 274 N 0.57 -0.78 0.79 3.87 0.00 -1.02 -2.05 119.26 120.63 3hai h ALA 274 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hai h ALA 274 Cb 0.20 1.01 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hai h ALA 274 CO 0.04 -1.04 -0.38 0.82 0.00 0.00 0.00 179.25 178.69 3hai h ILE 275 N -0.49 0.15 -0.97 0.00 2.04 -1.42 -2.87 117.51 113.94 3hai h ILE 275 Ca 0.06 -0.13 0.32 0.00 1.00 0.00 0.00 64.86 66.12 3hai h ILE 275 Cb 0.64 0.17 -0.17 0.00 -0.74 0.00 0.00 36.82 36.73 3hai h ILE 275 CO -0.50 0.01 0.35 0.03 0.00 0.00 0.00 178.15 178.04 3hai h ARG 276 N -1.16 0.11 -1.18 2.37 3.08 -1.42 0.64 114.38 116.82 3hai h ARG 276 Ca -0.11 -0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.28 3hai h ARG 276 Cb 0.82 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.76 3hai h ARG 276 CO 0.18 0.07 0.79 0.78 -1.07 0.00 0.00 179.97 180.72 3hai h GLY 277 N 0.11 0.93 -3.74 0.04 0.00 -1.13 -3.42 103.07 95.87 3hai h GLY 277 Ca 0.70 -0.13 -0.59 0.00 0.00 0.00 0.00 47.33 47.31 3hai h GLY 277 CO -0.75 -0.17 -0.08 0.00 0.00 0.00 0.00 176.54 175.54 3hai n ALA 278 N -2.57 -0.54 -3.69 3.60 0.00 0.22 -4.96 120.51 112.58 3hai n ALA 278 Ca 0.29 0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 3hai n ALA 278 Cb 1.15 -1.95 -0.17 0.00 0.00 0.00 0.00 19.45 18.48 3hai n ALA 278 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hai s ASP 279 N -0.88 2.68 0.06 0.00 -1.08 -1.26 -5.03 116.67 111.17 3hai s ASP 279 Ca 0.64 -0.73 -0.38 0.00 -0.52 0.00 0.00 52.55 51.57 3hai s ASP 279 Cb -0.56 -0.47 -0.20 0.00 -1.46 0.00 0.00 42.92 40.22 3hai s ASP 279 CO 0.56 -0.32 1.57 0.00 0.52 0.00 0.00 175.17 177.51 3hai h ALA 280 N 8.31 -1.33 -2.09 3.66 0.00 -1.95 -2.49 119.26 123.37 3hai h ALA 280 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hai h ALA 280 Cb 1.13 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3hai h ALA 280 CO 0.32 -1.25 0.00 1.04 0.00 0.00 0.00 179.25 179.36 3hai n GLN 281 N -5.66 0.00 -0.17 0.00 1.13 -1.26 0.57 117.38 111.99 3hai n GLN 281 Ca -0.16 0.60 0.04 0.00 -1.94 0.00 0.00 57.00 55.53 3hai n GLN 281 Cb 0.52 -1.07 0.08 0.00 0.11 0.00 0.00 30.24 29.88 3hai n GLN 281 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3hai n GLU 282 N -1.50 -0.04 0.06 -1.09 2.13 -1.25 0.67 120.64 119.62 3hai n GLU 282 Ca 0.00 0.73 -0.13 0.00 0.66 0.00 0.00 57.16 58.42 3hai n GLU 282 Cb 0.00 -1.10 -0.09 0.00 0.27 0.00 0.00 31.44 30.52 3hai n GLU 282 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3hai h ASP 283 N 0.00 -0.13 -0.36 4.31 5.19 -0.27 -0.04 116.42 125.13 3hai h ASP 283 Ca 0.24 -0.28 0.04 0.00 -0.62 0.00 0.00 57.03 56.41 3hai h ASP 283 Cb 0.39 0.03 -0.07 0.00 0.18 0.00 0.00 39.33 39.86 3hai h ASP 283 CO -0.48 0.22 -0.49 -0.07 -3.12 0.00 0.00 179.24 175.29 3hai h LEU 284 N -0.49 -1.65 -1.06 1.55 3.38 0.57 0.39 115.31 117.99 3hai h LEU 284 Ca -0.02 0.22 0.29 0.00 0.09 0.00 0.00 57.88 58.46 3hai h LEU 284 Cb 0.40 0.68 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 3hai h LEU 284 CO 0.03 -0.36 0.61 0.03 0.09 0.00 0.00 178.44 178.83 3hai h ARG 285 N -0.36 0.43 -0.24 1.13 3.08 -0.23 -0.20 114.38 117.99 3hai h ARG 285 Ca 0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3hai h ARG 285 Cb 0.53 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3hai h ARG 285 CO -0.52 0.28 0.05 2.35 -1.07 0.00 0.00 179.97 181.05 3hai h TRP 286 N 0.44 0.41 -0.42 3.04 7.01 0.17 -1.07 115.95 125.54 3hai h TRP 286 Ca 0.68 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.63 3hai h TRP 286 Cb 1.49 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.41 3hai h TRP 286 CO -0.01 0.51 0.26 0.35 -2.79 0.00 0.00 178.44 176.76 3hai h PHE 287 N 0.20 0.54 -0.88 2.65 3.57 0.31 -0.81 116.94 122.52 3hai h PHE 287 Ca 0.07 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.73 3hai h PHE 287 Cb 0.31 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 3hai h PHE 287 CO 0.02 0.36 0.57 -0.09 -2.23 0.00 0.00 178.31 176.94 3hai h ARG 288 N 0.56 0.64 0.00 1.11 2.43 -0.49 0.76 114.38 119.39 3hai h ARG 288 Ca 0.15 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 59.05 3hai h ARG 288 Cb -0.03 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 3hai h ARG 288 CO -0.03 0.42 -1.29 0.77 -1.51 0.00 0.00 179.97 178.33 3hai h SER 289 N 0.66 0.00 0.76 -3.80 0.02 -0.63 -1.78 113.55 108.78 3hai h SER 289 Ca 0.44 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.39 3hai h SER 289 Cb 0.75 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 3hai h SER 289 CO -0.20 0.90 -1.24 0.35 -1.14 0.00 0.00 176.83 175.50 3hai n THR 290 N -3.16 0.50 -0.97 -2.27 -2.24 -0.36 -3.70 114.28 102.07 3hai n THR 290 Ca -0.08 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3hai n THR 290 Cb 0.95 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3hai n THR 290 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hai n SER 291 N -2.59 0.04 0.00 3.42 2.88 0.26 -4.96 113.62 112.67 3hai n SER 291 Ca -0.01 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.51 3hai n SER 291 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3hai n SER 291 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hai n GLY 292 N -0.01 5.87 0.21 0.46 0.00 -0.71 -4.95 105.19 106.06 3hai n GLY 292 Ca 0.00 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.29 3hai n GLY 292 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hai h PRO 293 N 0.00 0.00 0.00 1.61 0.11 -1.92 -0.19 132.00 131.60 3hai h PRO 293 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3hai h PRO 293 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hai h PRO 293 CO 0.00 0.00 -0.12 0.78 -0.21 0.00 0.00 178.00 178.45 3hai h GLY 294 N 0.06 0.00 -3.88 -0.55 0.00 -1.75 -3.45 103.07 93.50 3hai h GLY 294 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3hai h GLY 294 CO 0.00 0.00 0.39 1.03 0.00 0.00 0.00 176.54 177.96 3hai n MET 295 N -3.19 1.79 -2.29 4.80 2.81 -0.09 -4.89 117.12 116.06 3hai n MET 295 Ca 0.02 0.64 -0.41 0.00 -1.81 0.00 0.00 57.70 56.13 3hai n MET 295 Cb 0.45 -2.25 -0.03 0.00 -0.71 0.00 0.00 33.22 30.68 3hai n MET 295 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3hai s PRO 296 N -2.04 4.44 0.09 0.03 0.02 -1.26 -5.03 135.00 131.25 3hai s PRO 296 Ca 0.60 1.96 0.09 0.00 0.02 0.00 0.00 61.00 63.68 3hai s PRO 296 Cb -0.55 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 30.72 3hai s PRO 296 CO 0.59 -0.18 -0.22 1.41 -0.33 0.00 0.00 177.00 178.27 3hai s MET 297 N -0.15 1.72 -1.01 5.54 1.75 -1.26 -5.09 119.30 120.80 3hai s MET 297 Ca 0.55 -1.18 -0.11 0.00 -1.25 0.00 0.00 55.69 53.69 3hai s MET 297 Cb -0.35 -2.04 0.25 0.00 2.84 0.00 0.00 34.83 35.54 3hai s MET 297 CO 0.37 0.49 0.99 -0.80 -0.65 0.00 0.00 175.02 175.43 3hai s ASN 298 N -1.82 7.10 0.59 1.11 -0.87 -1.26 -5.07 114.94 114.72 3hai s ASN 298 Ca 0.15 -3.22 -0.18 0.00 -1.57 0.00 0.00 52.86 48.04 3hai s ASN 298 Cb -0.10 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.25 38.87 3hai s ASN 298 CO 0.06 -0.42 1.14 0.26 -2.57 0.00 0.00 177.10 175.58 3hai s TRP 299 N -0.58 2.57 0.14 2.20 0.52 -1.26 -4.90 118.94 117.63 3hai s TRP 299 Ca 0.26 1.54 -0.35 0.00 0.02 0.00 0.00 56.10 57.58 3hai s TRP 299 Cb -0.10 -3.31 -0.16 0.00 -1.15 0.00 0.00 33.47 28.75 3hai s TRP 299 CO -0.08 -1.78 1.31 -2.30 0.02 0.00 0.00 176.95 174.12 3hai n PRO 300 N -1.66 1.33 -3.96 4.98 -0.02 -1.26 -5.00 135.00 129.40 3hai n PRO 300 Ca 0.12 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3hai n PRO 300 Cb 0.51 -2.08 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 3hai n PRO 300 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hai s GLN 301 N 0.16 0.35 0.01 -0.52 0.74 -1.26 -5.12 119.66 114.02 3hai s GLN 301 Ca 0.79 -0.57 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 3hai s GLN 301 Cb -0.87 0.13 -0.08 0.00 1.10 0.00 0.00 33.01 33.29 3hai s GLN 301 CO 0.48 -0.07 1.95 0.12 -0.55 0.00 0.00 175.29 177.22 3hai s PHE 302 N -1.48 1.35 0.09 1.67 5.36 -1.26 -5.00 117.98 118.72 3hai s PHE 302 Ca -0.15 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 55.50 3hai s PHE 302 Cb -0.09 -4.19 0.02 0.00 -0.34 0.00 0.00 43.02 38.42 3hai s PHE 302 CO -0.01 -5.28 0.13 0.39 -1.46 0.00 0.00 175.22 168.99 3hai n GLU 303 N 7.59 0.52 -4.22 10.12 -0.58 -1.26 -5.15 120.64 127.67 3hai n GLU 303 Ca 0.20 -0.35 -0.18 0.00 -0.42 0.00 0.00 57.16 56.41 3hai n GLU 303 Cb 0.42 -0.09 -0.07 0.00 -0.57 0.00 0.00 31.44 31.13 3hai n GLU 303 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3hai s GLU 304 N -2.73 1.78 0.10 3.49 2.02 -1.26 -5.16 118.70 116.94 3hai s GLU 304 Ca 0.09 -1.92 -0.13 0.00 0.02 0.00 0.00 54.97 53.03 3hai s GLU 304 Cb -0.00 0.36 -0.06 0.00 0.10 0.00 0.00 34.13 34.52 3hai s GLU 304 CO 0.06 -0.69 0.48 -0.46 0.02 0.00 0.00 175.26 174.67 3hai s TRP 305 N -3.34 3.63 -0.29 1.61 -0.00 -1.26 -5.08 118.94 114.19 3hai s TRP 305 Ca 0.37 0.96 -0.13 0.00 -0.00 0.00 0.00 56.10 57.30 3hai s TRP 305 Cb 0.02 -2.29 0.12 0.00 -0.00 0.00 0.00 33.47 31.32 3hai s TRP 305 CO 0.25 0.50 0.72 1.21 -0.00 0.00 0.00 176.95 179.63 3hai s ASN 306 N -1.61 -0.97 0.21 5.86 2.47 -1.26 -5.16 114.94 114.48 3hai s ASN 306 Ca 0.34 1.42 -0.30 0.00 0.42 0.00 0.00 52.86 54.73 3hai s ASN 306 Cb -0.15 1.83 -0.08 0.00 -1.45 0.00 0.00 41.25 41.39 3hai s ASN 306 CO 0.18 -0.21 1.18 -2.84 -3.72 0.00 0.00 177.10 171.69 3hai s PRO 307 N 2.28 4.52 0.00 0.43 0.02 -1.26 -5.35 135.00 135.64 3hai s PRO 307 Ca -0.07 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.81 3hai s PRO 307 Cb -0.08 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3hai s PRO 307 CO -0.19 -0.03 0.00 -0.25 -0.33 0.00 0.00 177.00 176.20