#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 0.89 -1.25 4.28 -1.04 -1.26 -2.19 114.28 113.71 3hai n THR 16 Ca 0.00 0.40 -0.26 0.00 -2.04 0.00 0.00 64.05 62.15 3hai n THR 16 Cb 0.00 -1.36 0.16 0.00 -1.82 0.00 0.00 70.33 67.31 3hai n THR 16 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3hai n ASP 17 N -2.26 4.48 -4.88 8.00 5.75 -1.26 -4.90 116.55 121.48 3hai n ASP 17 Ca 0.01 -3.64 -0.33 0.00 -0.01 0.00 0.00 54.79 50.82 3hai n ASP 17 Cb 0.17 -0.86 -0.05 0.00 -1.03 0.00 0.00 41.12 39.34 3hai n ASP 17 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hai s SER 18 N -1.41 6.55 0.46 -1.12 0.15 -0.93 -4.98 113.70 112.43 3hai s SER 18 Ca 0.58 0.68 0.26 0.00 0.70 0.00 0.00 55.95 58.17 3hai s SER 18 Cb 0.49 -2.13 1.31 0.00 -1.71 0.00 0.00 66.02 63.97 3hai s SER 18 CO 0.09 0.11 1.80 0.15 1.20 0.00 0.00 173.24 176.58 3hai h PHE 19 N 3.23 0.35 0.00 3.44 3.57 -1.91 0.22 116.94 125.85 3hai h PHE 19 Ca -0.47 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3hai h PHE 19 Cb 1.18 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.82 3hai h PHE 19 CO 0.64 0.03 -0.32 0.91 -2.23 0.00 0.00 178.31 177.34 3hai n TRP 20 N -4.43 0.59 -2.16 0.41 7.02 -1.26 -4.17 117.44 113.45 3hai n TRP 20 Ca 0.24 0.17 -0.41 0.00 -1.02 0.00 0.00 57.50 56.48 3hai n TRP 20 Cb 1.01 -0.71 -0.03 0.00 -2.42 0.00 0.00 31.31 29.16 3hai n TRP 20 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3hai s GLU 21 N -3.11 4.35 0.24 -0.99 0.41 0.07 -4.89 118.70 114.77 3hai s GLU 21 Ca 0.09 2.12 -0.28 0.00 -0.41 0.00 0.00 54.97 56.50 3hai s GLU 21 Cb 0.14 -3.18 -0.16 0.00 -1.78 0.00 0.00 34.13 29.15 3hai s GLU 21 CO 0.65 -0.32 0.70 0.28 -0.49 0.00 0.00 175.26 176.09 3hai n VAL 22 N 2.72 1.98 -2.46 2.63 0.31 -1.26 -2.60 118.33 119.65 3hai n VAL 22 Ca 0.07 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.77 3hai n VAL 22 Cb 0.42 -0.39 0.01 0.00 -0.91 0.00 0.00 33.84 32.96 3hai n VAL 22 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hai n GLY 23 N 1.70 -0.10 0.01 2.92 0.00 -1.26 -4.90 105.19 103.55 3hai n GLY 23 Ca 0.15 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.61 4.04 0.26 1.61 3.02 -1.07 -4.39 115.26 118.12 3hai n ASN 24 Ca -0.11 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.55 3hai n ASN 24 Cb 0.60 1.07 0.47 0.00 -0.61 0.00 0.00 39.78 41.31 3hai n ASN 24 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 3hai h TYR 25 N 0.00 0.00 -0.98 3.10 -0.00 -1.82 -1.11 116.97 116.16 3hai h TYR 25 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 58.73 58.94 3hai h TYR 25 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 36.73 37.02 3hai h TYR 25 CO 0.00 0.00 0.56 1.57 -0.00 0.00 0.00 178.16 180.29 3hai h LYS 26 N 0.00 0.55 -0.52 0.10 2.10 -1.96 0.53 116.57 117.37 3hai h LYS 26 Ca 0.06 -0.03 0.10 0.00 -2.00 0.00 0.00 60.65 58.78 3hai h LYS 26 Cb 1.41 -0.12 -0.08 0.00 -0.90 0.00 0.00 32.23 32.53 3hai h LYS 26 CO -0.00 0.37 0.04 0.00 -2.00 0.00 0.00 179.45 177.85 3hai h ARG 27 N 0.57 0.15 0.00 0.07 3.08 -1.54 0.62 114.38 117.33 3hai h ARG 27 Ca 0.62 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.66 3hai h ARG 27 Cb 1.16 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.18 3hai h ARG 27 CO -0.47 0.10 0.00 1.79 -1.07 0.00 0.00 179.97 180.32 3hai h THR 28 N 0.16 0.00 -0.31 2.04 1.35 -1.19 -2.22 112.91 112.73 3hai h THR 28 Ca 0.27 -0.82 -0.09 0.00 -0.55 0.00 0.00 66.41 65.21 3hai h THR 28 Cb 0.40 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3hai h THR 28 CO -0.41 0.00 -0.17 0.58 -0.25 0.00 0.00 175.52 175.27 3hai h VAL 29 N 0.00 1.29 -0.25 6.82 2.07 0.78 -3.06 116.25 123.90 3hai h VAL 29 Ca 0.00 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.29 3hai h VAL 29 Cb 0.83 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 3hai h VAL 29 CO 0.00 0.41 -0.08 0.50 0.02 0.00 0.00 177.57 178.43 3hai h LYS 30 N 0.43 -0.02 -0.40 1.57 3.64 0.48 -2.28 116.57 119.99 3hai h LYS 30 Ca 0.07 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.60 3hai h LYS 30 Cb 0.70 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.45 3hai h LYS 30 CO 0.05 -0.01 0.15 -2.13 -2.27 0.00 0.00 179.45 175.23 3hai n ARG 31 N -5.24 -0.03 0.24 1.90 0.00 -0.87 -1.00 116.66 111.66 3hai n ARG 31 Ca -0.01 0.56 -0.10 0.00 -0.00 0.00 0.00 57.85 58.30 3hai n ARG 31 Cb 0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 32.46 31.61 3hai n ARG 31 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3hai h ILE 32 N 0.00 0.00 -1.30 5.15 2.04 -1.50 -2.67 117.51 119.24 3hai h ILE 32 Ca 0.31 -0.38 0.38 0.00 1.00 0.00 0.00 64.86 66.16 3hai h ILE 32 Cb 0.76 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 3hai h ILE 32 CO -0.33 0.00 0.90 0.44 0.00 0.00 0.00 178.15 179.16 3hai h ASP 33 N -1.03 0.13 -0.24 1.72 5.19 -1.18 0.79 116.42 121.79 3hai h ASP 33 Ca -0.07 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.29 3hai h ASP 33 Cb 0.50 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 3hai h ASP 33 CO 0.11 -0.01 -0.14 0.44 -3.12 0.00 0.00 179.24 176.52 3hai h ASP 34 N 0.10 0.64 0.90 6.45 3.32 -1.31 -3.15 116.42 123.37 3hai h ASP 34 Ca 0.67 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.48 3hai h ASP 34 Cb 2.38 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 41.77 3hai h ASP 34 CO -0.13 0.80 -0.43 1.23 -1.72 0.00 0.00 179.24 178.99 3hai h GLY 35 N 0.97 -1.26 -0.28 2.75 0.00 0.96 0.11 103.07 106.32 3hai h GLY 35 Ca 0.10 0.47 0.27 0.00 0.00 0.00 0.00 47.33 48.17 3hai h GLY 35 CO 0.04 -0.46 0.60 0.84 0.00 0.00 0.00 176.54 177.56 3hai h HIS 36 N -1.21 0.94 -0.06 5.60 -0.00 -1.67 -1.92 115.15 116.83 3hai h HIS 36 Ca -0.12 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.14 3hai h HIS 36 Cb 0.93 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 3hai h HIS 36 CO -0.01 -0.01 -0.61 -0.09 -0.00 0.00 0.00 177.93 177.22 3hai h ARG 37 N 0.48 0.20 -0.11 5.26 2.43 -0.95 -2.39 114.38 119.31 3hai h ARG 37 Ca 0.67 -0.14 -0.20 0.00 -0.81 0.00 0.00 59.98 59.50 3hai h ARG 37 Cb 1.42 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 3hai h ARG 37 CO -0.49 0.75 -0.74 -0.07 -1.51 0.00 0.00 179.97 177.91 3hai h LEU 38 N 0.15 0.64 0.10 3.80 3.38 -0.12 -1.77 115.31 121.49 3hai h LEU 38 Ca -0.01 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 3hai h LEU 38 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3hai h LEU 38 CO 0.09 1.17 -0.17 0.00 0.09 0.00 0.00 178.44 179.63 3hai n ASN 40 N -3.38 -0.20 -0.12 0.00 4.13 -0.92 -0.40 115.26 114.36 3hai n ASN 40 Ca -0.03 0.38 -0.05 0.00 1.68 0.00 0.00 54.58 56.56 3hai n ASN 40 Cb 0.14 -0.06 0.02 0.00 -1.54 0.00 0.00 39.78 38.34 3hai n ASN 40 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3hai h ASP 41 N 0.00 -0.43 -0.16 6.41 3.32 -0.26 -1.71 116.42 123.59 3hai h ASP 41 Ca 0.03 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3hai h ASP 41 Cb 0.08 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3hai h ASP 41 CO -0.18 -0.15 -0.04 0.25 -1.72 0.00 0.00 179.24 177.40 3hai h LEU 42 N -0.02 0.41 -0.17 1.55 6.46 0.17 -0.60 115.31 123.12 3hai h LEU 42 Ca 0.20 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3hai h LEU 42 Cb 0.33 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3hai h LEU 42 CO -0.44 0.51 0.04 0.24 -0.62 0.00 0.00 178.44 178.17 3hai h MET 43 N 0.42 0.27 0.00 1.25 2.86 -0.41 -1.52 114.93 117.80 3hai h MET 43 Ca 0.09 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3hai h MET 43 Cb 0.34 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3hai h MET 43 CO 0.01 0.42 -0.09 -0.91 1.06 0.00 0.00 176.91 177.40 3hai h ASN 44 N 0.08 0.00 -0.07 1.22 -0.26 -0.43 -1.95 115.58 114.17 3hai h ASN 44 Ca 0.05 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.70 3hai h ASN 44 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 3hai h ASN 44 CO 0.00 0.09 -0.30 0.00 -1.06 0.00 0.00 177.43 176.16 3hai h VAL 46 N -0.18 0.33 -0.49 0.00 2.07 -0.55 -1.64 116.25 115.79 3hai h VAL 46 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 3hai h VAL 46 Cb 0.95 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3hai h VAL 46 CO 0.06 0.00 0.33 1.56 0.02 0.00 0.00 177.57 179.54 3hai h GLN 47 N -0.85 0.45 -0.30 1.57 4.20 -1.53 -0.84 115.11 117.81 3hai h GLN 47 Ca -0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 3hai h GLN 47 Cb 0.68 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3hai h GLN 47 CO 0.09 0.30 0.12 0.93 -0.67 0.00 0.00 178.83 179.60 3hai h GLU 48 N 0.46 0.45 -0.26 1.46 5.08 -1.30 0.64 114.58 121.11 3hai h GLU 48 Ca 0.21 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3hai h GLU 48 Cb 0.24 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 3hai h GLU 48 CO -0.05 0.47 -0.43 -0.09 -1.00 0.00 0.00 179.01 177.90 3hai h ARG 49 N 0.34 -0.40 -0.24 2.33 9.65 -0.29 -2.32 114.38 123.45 3hai h ARG 49 Ca 0.10 0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.04 3hai h ARG 49 Cb 0.19 0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 28.79 3hai h ARG 49 CO -0.01 -0.27 -0.50 0.00 2.80 0.00 0.00 179.97 181.99 3hai h ALA 50 N 0.23 -0.80 -0.90 2.80 0.00 -0.16 0.20 119.26 120.62 3hai h ALA 50 Ca 0.10 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3hai h ALA 50 Cb 0.61 1.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.28 3hai h ALA 50 CO -0.48 -1.01 -0.34 1.63 0.00 0.00 0.00 179.25 179.05 3hai n LYS 51 N -5.14 -0.19 -0.24 0.00 5.02 0.12 0.11 118.16 117.82 3hai n LYS 51 Ca -0.04 1.39 -0.01 0.00 -2.02 0.00 0.00 58.31 57.63 3hai n LYS 51 Cb 0.33 -2.07 0.11 0.00 -0.02 0.00 0.00 35.03 33.38 3hai n LYS 51 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hai h ILE 52 N 0.00 0.97 -0.14 -0.18 5.03 -0.14 -0.46 117.51 122.59 3hai h ILE 52 Ca 0.33 -0.25 -0.12 0.00 -0.12 0.00 0.00 64.86 64.70 3hai h ILE 52 Cb 0.56 0.18 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 3hai h ILE 52 CO -0.90 0.13 -0.44 -0.33 -0.68 0.00 0.00 178.15 175.93 3hai h GLU 53 N 0.72 0.34 -0.47 2.37 4.39 0.24 -2.53 114.58 119.64 3hai h GLU 53 Ca 0.32 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 3hai h GLU 53 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3hai h GLU 53 CO -0.19 0.71 -0.24 -0.22 -1.16 0.00 0.00 179.01 177.92 3hai h LYS 54 N 0.28 0.98 -0.05 2.33 3.64 0.12 -3.01 116.57 120.85 3hai h LYS 54 Ca 0.02 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3hai h LYS 54 Cb 0.88 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hai h LYS 54 CO 0.07 1.10 0.02 0.00 -2.27 0.00 0.00 179.45 178.37 3hai h ALA 55 N 0.88 0.07 0.54 5.00 0.00 -0.92 -0.50 119.26 124.34 3hai h ALA 55 Ca 0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hai h ALA 55 Cb 0.81 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3hai h ALA 55 CO 0.07 -0.36 -0.49 -0.92 0.00 0.00 0.00 179.25 177.54 3hai h TYR 56 N -0.05 -1.35 0.00 0.00 3.20 -1.47 0.41 116.97 117.71 3hai h TYR 56 Ca 0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3hai h TYR 56 Cb 0.14 0.52 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3hai h TYR 56 CO -0.03 -0.67 0.00 0.78 -1.64 0.00 0.00 178.16 176.61 3hai h GLY 57 N -1.02 0.00 1.57 1.82 0.00 -1.48 0.58 103.07 104.54 3hai h GLY 57 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.00 3hai h GLY 57 CO -0.03 0.00 -1.30 -1.61 0.00 0.00 0.00 176.54 173.60 3hai h GLN 58 N 0.00 0.11 -0.50 4.80 5.75 -0.86 -2.53 115.11 121.88 3hai h GLN 58 Ca 0.00 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 3hai h GLN 58 Cb 0.42 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 3hai h GLN 58 CO 0.00 0.98 0.11 1.96 -2.65 0.00 0.00 178.83 179.22 3hai h GLN 59 N 0.03 0.76 0.37 1.69 4.20 0.36 -2.96 115.11 119.56 3hai h GLN 59 Ca -0.14 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 3hai h GLN 59 Cb 1.91 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.58 3hai h GLN 59 CO 0.14 0.70 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.75 3hai h LEU 60 N 0.74 -0.42 -1.35 1.46 3.38 0.20 -2.54 115.31 116.77 3hai h LEU 60 Ca 0.16 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3hai h LEU 60 Cb 0.29 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3hai h LEU 60 CO 0.00 -0.14 -0.32 0.71 0.09 0.00 0.00 178.44 178.77 3hai h THR 61 N -0.71 1.22 0.00 0.22 1.35 -1.50 0.40 112.91 113.90 3hai h THR 61 Ca -0.05 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.68 3hai h THR 61 Cb 0.49 1.60 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3hai h THR 61 CO 0.08 0.32 -0.06 0.44 -0.25 0.00 0.00 175.52 176.05 3hai h ASP 62 N 0.00 0.00 0.01 5.36 5.19 -1.45 0.11 116.42 125.64 3hai h ASP 62 Ca -0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 3hai h ASP 62 Cb 0.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 3hai h ASP 62 CO 0.04 0.06 -0.55 -0.25 -3.12 0.00 0.00 179.24 175.42 3hai h TRP 63 N 0.00 0.02 -0.49 4.55 7.01 0.09 -3.02 115.95 124.11 3hai h TRP 63 Ca -0.00 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.08 3hai h TRP 63 Cb 0.15 -0.00 -0.10 0.00 -2.10 0.00 0.00 29.16 27.11 3hai h TRP 63 CO 0.00 1.21 -0.20 0.00 -2.79 0.00 0.00 178.44 176.67 3hai h ALA 64 N -0.19 0.18 0.21 2.65 0.00 -0.43 -1.90 119.26 119.78 3hai h ALA 64 Ca -0.15 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hai h ALA 64 Cb 1.16 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3hai h ALA 64 CO -0.08 -0.53 -0.10 0.87 0.00 0.00 0.00 179.25 179.41 3hai h LYS 65 N -0.09 -0.27 0.20 0.00 1.57 -0.92 0.32 116.57 117.38 3hai h LYS 65 Ca 0.23 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3hai h LYS 65 Cb 0.45 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3hai h LYS 65 CO -0.55 -0.17 -0.41 -0.09 -0.57 0.00 0.00 179.45 177.66 3hai h ARG 66 N -0.29 -0.67 0.00 3.15 2.43 -1.33 -1.24 114.38 116.43 3hai h ARG 66 Ca -0.03 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3hai h ARG 66 Cb 0.22 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hai h ARG 66 CO 0.05 -0.45 -0.07 -1.49 -1.51 0.00 0.00 179.97 176.50 3hai h TRP 67 N -0.70 0.00 0.61 2.20 4.06 -1.35 -1.43 115.95 119.35 3hai h TRP 67 Ca 0.01 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 3hai h TRP 67 Cb 0.69 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.85 3hai h TRP 67 CO -0.32 0.07 -0.29 -0.09 -3.56 0.00 0.00 178.44 174.25 3hai h ARG 68 N 0.00 -0.78 -0.96 0.49 2.43 0.28 -2.10 114.38 113.73 3hai h ARG 68 Ca -0.00 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3hai h ARG 68 Cb 0.65 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 3hai h ARG 68 CO 0.01 -0.47 0.62 0.37 -1.51 0.00 0.00 179.97 178.99 3hai h GLN 69 N -0.99 1.06 -0.20 0.20 4.15 -1.05 -2.05 115.11 116.22 3hai h GLN 69 Ca -0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3hai h GLN 69 Cb 0.67 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3hai h GLN 69 CO 0.14 0.70 0.13 -0.07 -1.93 0.00 0.00 178.83 177.80 3hai h LEU 70 N 1.09 0.23 -1.06 -2.39 3.38 -1.20 -1.85 115.31 113.52 3hai h LEU 70 Ca 0.42 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.33 3hai h LEU 70 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hai h LEU 70 CO -0.17 0.17 0.12 0.40 0.09 0.00 0.00 178.44 179.05 3hai h ILE 71 N 0.27 1.22 -0.07 1.22 5.03 -0.70 -2.07 117.51 122.41 3hai h ILE 71 Ca 0.07 -0.80 -0.21 0.00 -0.12 0.00 0.00 64.86 63.80 3hai h ILE 71 Cb -0.02 0.70 0.00 0.00 -3.03 0.00 0.00 36.82 34.47 3hai h ILE 71 CO -0.02 0.30 -0.83 -0.08 -0.68 0.00 0.00 178.15 176.84 3hai h GLU 72 N 0.77 0.55 0.00 2.37 4.81 -1.21 -2.34 114.58 119.52 3hai h GLU 72 Ca 0.17 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3hai h GLU 72 Cb 0.29 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3hai h GLU 72 CO -0.00 1.12 0.00 1.63 -0.73 0.00 0.00 179.01 181.03 3hai n LYS 73 N -3.84 0.30 -3.10 1.92 4.01 -0.72 -4.92 118.16 111.80 3hai n LYS 73 Ca -0.06 0.05 -0.22 0.00 -0.51 0.00 0.00 58.31 57.56 3hai n LYS 73 Cb 0.77 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.80 3hai n LYS 73 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3hai s GLY 74 N -2.65 1.55 0.02 0.72 0.00 -0.78 -4.96 107.32 101.21 3hai s GLY 74 Ca 0.22 -1.11 0.08 0.00 0.00 0.00 0.00 44.72 43.91 3hai s GLY 74 CO 0.40 -0.96 1.24 -1.05 0.00 0.00 0.00 173.10 172.74 3hai n PRO 75 N -1.98 0.01 -1.42 2.90 -0.02 -1.26 -4.75 135.00 128.48 3hai n PRO 75 Ca 0.01 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 3hai n PRO 75 Cb 0.58 -1.53 0.09 0.00 -0.02 0.00 0.00 33.50 32.62 3hai n PRO 75 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3hai s GLN 76 N -3.03 2.12 0.36 -0.52 2.00 -1.26 -5.02 119.66 114.32 3hai s GLN 76 Ca 0.03 1.74 -0.15 0.00 -2.00 0.00 0.00 55.36 54.98 3hai s GLN 76 Cb 0.05 -1.83 0.04 0.00 0.80 0.00 0.00 33.01 32.07 3hai s GLN 76 CO 0.13 -1.84 0.75 1.52 -0.50 0.00 0.00 175.29 175.35 3hai s TYR 77 N -2.02 0.15 0.00 1.67 1.13 -1.26 -4.93 117.35 112.08 3hai s TYR 77 Ca 0.74 -0.75 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 3hai s TYR 77 Cb -0.29 0.73 0.00 0.00 -1.10 0.00 0.00 41.96 41.30 3hai s TYR 77 CO 0.46 -1.47 0.00 0.41 -2.51 0.00 0.00 175.55 172.44 3hai n GLY 78 N -0.52 0.85 0.22 5.49 0.00 -1.26 -2.48 105.19 107.49 3hai n GLY 78 Ca -0.07 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 3hai n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hai h SER 79 N 0.00 0.67 -0.94 1.61 4.64 -1.96 -1.63 113.55 115.94 3hai h SER 79 Ca 0.00 -0.17 0.23 0.00 -0.47 0.00 0.00 61.79 61.38 3hai h SER 79 Cb 0.00 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 61.85 3hai h SER 79 CO 0.00 0.66 0.63 -0.07 -0.87 0.00 0.00 176.83 177.18 3hai h LEU 80 N 0.64 0.30 -0.35 5.97 -0.00 -1.89 0.57 115.31 120.55 3hai h LEU 80 Ca 0.16 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 58.02 3hai h LEU 80 Cb 0.20 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.83 3hai h LEU 80 CO -0.01 0.10 -0.00 -0.08 -0.00 0.00 0.00 178.44 178.45 3hai h GLU 81 N 0.29 0.63 -0.17 1.13 4.81 -0.98 -1.55 114.58 118.74 3hai h GLU 81 Ca 0.49 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.36 3hai h GLU 81 Cb 1.40 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 3hai h GLU 81 CO -0.15 0.74 -0.54 0.00 -0.73 0.00 0.00 179.01 178.33 3hai h ARG 82 N 0.44 0.51 0.00 1.92 3.08 -0.08 -0.31 114.38 119.94 3hai h ARG 82 Ca 0.10 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3hai h ARG 82 Cb 0.46 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3hai h ARG 82 CO 0.02 0.92 0.00 0.00 -1.07 0.00 0.00 179.97 179.84 3hai n ALA 83 N -2.51 -0.25 0.07 0.04 0.00 0.15 -0.48 120.51 117.54 3hai n ALA 83 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.43 3hai n ALA 83 Cb 0.60 0.11 0.10 0.00 0.00 0.00 0.00 19.45 20.26 3hai n ALA 83 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3hai n TRP 84 N -1.75 0.12 -0.04 0.00 -0.00 -0.60 0.05 117.44 115.22 3hai n TRP 84 Ca 0.00 0.06 -0.12 0.00 -0.00 0.00 0.00 57.50 57.45 3hai n TRP 84 Cb 0.00 -0.28 -0.10 0.00 -0.00 0.00 0.00 31.31 30.93 3hai n TRP 84 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3hai h GLY 85 N 0.00 -0.03 1.63 5.87 0.00 0.11 -3.35 103.07 107.30 3hai h GLY 85 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3hai h GLY 85 CO 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 176.54 176.67 3hai h ALA 86 N -0.09 1.82 0.00 3.60 0.00 0.16 -0.36 119.26 124.39 3hai h ALA 86 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hai h ALA 86 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hai h ALA 86 CO 0.00 -0.22 0.00 1.51 0.00 0.00 0.00 179.25 180.55 3hai n ILE 87 N -3.95 0.00 -0.10 0.00 3.06 -1.22 -1.02 119.36 116.12 3hai n ILE 87 Ca 0.01 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 3hai n ILE 87 Cb 0.26 -0.69 -0.15 0.00 0.54 0.00 0.00 39.64 39.60 3hai n ILE 87 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28 3hai n MET 88 N -0.92 0.68 -0.05 9.51 2.81 -0.15 -3.71 117.12 125.29 3hai n MET 88 Ca 0.09 0.05 -0.05 0.00 -1.81 0.00 0.00 57.70 55.98 3hai n MET 88 Cb 0.04 -1.53 0.15 0.00 -0.71 0.00 0.00 33.22 31.17 3hai n MET 88 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3hai h THR 89 N 0.00 1.26 -0.01 2.03 1.35 -1.21 -1.45 112.91 114.89 3hai h THR 89 Ca -0.55 -1.24 0.01 0.00 -0.55 0.00 0.00 66.41 64.08 3hai h THR 89 Cb 2.15 1.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.75 3hai h THR 89 CO 0.00 0.41 -0.20 1.05 -0.25 0.00 0.00 175.52 176.53 3hai h GLU 90 N 0.59 -0.24 -1.02 4.72 -0.00 -1.52 0.54 114.58 117.65 3hai h GLU 90 Ca 0.09 0.02 0.42 0.00 -0.00 0.00 0.00 59.36 59.89 3hai h GLU 90 Cb 0.65 0.05 -0.18 0.00 -0.00 0.00 0.00 28.75 29.28 3hai h GLU 90 CO 0.05 -0.16 0.55 0.00 -0.00 0.00 0.00 179.01 179.45 3hai h ALA 91 N -1.09 2.19 0.14 1.06 0.00 -1.57 0.19 119.26 120.18 3hai h ALA 91 Ca 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hai h ALA 91 Cb 0.27 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hai h ALA 91 CO -0.14 -0.97 -0.07 -0.44 0.00 0.00 0.00 179.25 177.63 3hai h ASP 92 N 0.01 -0.16 -0.40 0.00 3.32 0.02 -2.22 116.42 116.99 3hai h ASP 92 Ca 0.85 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 57.58 3hai h ASP 92 Cb 2.26 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 41.80 3hai h ASP 92 CO -0.75 0.43 0.09 0.11 -1.72 0.00 0.00 179.24 177.39 3hai h LYS 93 N -0.88 0.21 -0.47 3.56 1.57 0.30 0.94 116.57 121.80 3hai h LYS 93 Ca -0.02 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3hai h LYS 93 Cb 0.53 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3hai h LYS 93 CO 0.03 0.14 0.19 0.28 -0.57 0.00 0.00 179.45 179.52 3hai h VAL 94 N 0.22 0.89 -0.99 0.50 2.07 -1.23 -1.75 116.25 115.96 3hai h VAL 94 Ca 0.19 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3hai h VAL 94 Cb 0.22 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3hai h VAL 94 CO -0.24 0.07 0.65 -1.28 0.02 0.00 0.00 177.57 176.79 3hai h SER 95 N 0.38 1.12 -0.61 0.57 0.87 -0.26 -0.37 113.55 115.26 3hai h SER 95 Ca 0.22 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3hai h SER 95 Cb 0.19 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 3hai h SER 95 CO -0.20 0.80 0.40 -0.08 -0.53 0.00 0.00 176.83 177.23 3hai h GLU 96 N 1.32 0.79 0.51 2.24 4.81 -0.28 -1.84 114.58 122.12 3hai h GLU 96 Ca 0.37 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3hai h GLU 96 Cb -0.12 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.09 3hai h GLU 96 CO -0.09 0.52 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.40 3hai h LEU 97 N 0.81 -0.58 -2.34 1.64 3.38 -0.25 -1.36 115.31 116.61 3hai h LEU 97 Ca 0.23 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hai h LEU 97 Cb -0.07 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hai h LEU 97 CO -0.05 -0.24 0.22 0.45 0.09 0.00 0.00 178.44 178.91 3hai h HIS 98 N -0.95 0.00 0.08 1.13 3.86 -1.18 1.53 115.15 119.62 3hai h HIS 98 Ca -0.07 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.88 3hai h HIS 98 Cb 0.61 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 3hai h HIS 98 CO 0.00 0.00 -1.22 1.96 0.86 0.00 0.00 177.93 179.54 3hai h GLN 99 N 0.00 0.18 0.33 2.45 1.08 -1.11 -1.18 115.11 116.86 3hai h GLN 99 Ca 0.01 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 3hai h GLN 99 Cb 0.45 0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 3hai h GLN 99 CO -0.00 1.12 -0.19 1.49 -0.95 0.00 0.00 178.83 180.30 3hai h GLU 100 N 0.05 -0.47 -0.25 1.46 4.57 0.32 -0.47 114.58 119.79 3hai h GLU 100 Ca -0.11 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3hai h GLU 100 Cb 1.92 0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 30.54 3hai h GLU 100 CO 0.17 -0.31 -0.53 0.28 -1.18 0.00 0.00 179.01 177.44 3hai h VAL 101 N -0.49 0.02 -0.51 0.32 2.07 -0.91 -1.55 116.25 115.21 3hai h VAL 101 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3hai h VAL 101 Cb 0.39 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.11 3hai h VAL 101 CO 0.05 0.00 -0.50 0.50 0.02 0.00 0.00 177.57 177.64 3hai h LYS 102 N -0.49 -0.24 -0.54 1.57 3.64 -1.07 -2.49 116.57 116.94 3hai h LYS 102 Ca 0.06 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3hai h LYS 102 Cb 0.64 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.44 3hai h LYS 102 CO -0.50 -0.16 -0.48 -0.91 -2.27 0.00 0.00 179.45 175.13 3hai h ASN 103 N -0.25 -1.67 -0.72 4.20 4.21 -0.11 -0.64 115.58 120.60 3hai h ASN 103 Ca 0.09 0.23 0.10 0.00 1.21 0.00 0.00 56.30 57.93 3hai h ASN 103 Cb 0.48 0.71 -0.08 0.00 -1.12 0.00 0.00 38.32 38.31 3hai h ASN 103 CO -0.61 -0.28 0.34 0.78 -1.29 0.00 0.00 177.43 176.36 3hai h ASN 104 N -0.21 0.42 -0.88 5.81 2.35 -1.19 0.83 115.58 122.71 3hai h ASN 104 Ca 0.09 0.07 0.20 0.00 -0.55 0.00 0.00 56.30 56.11 3hai h ASN 104 Cb 0.44 0.01 -0.12 0.00 0.05 0.00 0.00 38.32 38.70 3hai h ASN 104 CO -0.61 0.22 0.38 -0.07 -1.65 0.00 0.00 177.43 175.71 3hai h LEU 105 N 0.56 0.34 0.00 1.61 3.38 -0.68 -1.05 115.31 119.47 3hai h LEU 105 Ca 0.36 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.43 3hai h LEU 105 Cb 0.42 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3hai h LEU 105 CO -0.30 0.03 -1.21 0.18 0.09 0.00 0.00 178.44 177.24 3hai n LEU 106 N -5.02 0.76 -0.11 1.67 4.77 0.23 0.17 117.00 119.46 3hai n LEU 106 Ca 0.21 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.28 3hai n LEU 106 Cb 0.60 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 3hai n LEU 106 CO 0.14 -0.09 -1.25 0.59 -1.33 0.00 0.00 177.39 175.45 3hai n ASN 107 N -2.68 1.99 0.00 -1.43 3.02 0.21 -4.04 115.26 112.33 3hai n ASN 107 Ca -0.03 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3hai n ASN 107 Cb 0.62 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3hai n ASN 107 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hai n GLU 108 N -3.56 0.00 0.08 3.52 1.02 -0.61 -4.23 120.64 116.86 3hai n GLU 108 Ca -0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.60 3hai n GLU 108 Cb 0.96 -0.41 -0.05 0.00 -0.02 0.00 0.00 31.44 31.92 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 0.00 -0.78 -0.15 1.62 3.32 -1.23 0.58 116.42 119.79 3hai h ASP 109 Ca 0.00 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3hai h ASP 109 Cb 0.00 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3hai h ASP 109 CO 0.00 -0.30 -0.15 0.25 -1.72 0.00 0.00 179.24 177.32 3hai h LEU 110 N -0.42 -0.51 -0.99 1.55 7.12 0.16 -1.75 115.31 120.46 3hai h LEU 110 Ca -0.01 0.07 0.35 0.00 0.13 0.00 0.00 57.88 58.42 3hai h LEU 110 Cb 0.40 0.21 -0.16 0.00 -0.53 0.00 0.00 40.66 40.59 3hai h LEU 110 CO -0.11 -0.09 0.52 -0.33 -0.13 0.00 0.00 178.44 178.29 3hai h GLU 111 N -0.08 0.19 -0.13 1.25 4.39 -1.45 0.21 114.58 118.97 3hai h GLU 111 Ca 0.02 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.75 3hai h GLU 111 Cb 0.14 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3hai h GLU 111 CO -0.18 0.13 -0.11 -0.22 -1.16 0.00 0.00 179.01 177.47 3hai h LYS 112 N 0.20 -0.12 -0.16 2.33 3.64 0.11 -0.95 116.57 121.62 3hai h LYS 112 Ca 0.76 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 60.14 3hai h LYS 112 Cb 1.81 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.65 3hai h LYS 112 CO -0.68 -0.08 0.08 0.28 -2.27 0.00 0.00 179.45 176.79 3hai h VAL 113 N -0.12 1.10 -0.77 2.00 2.07 -0.38 0.38 116.25 120.52 3hai h VAL 113 Ca 0.08 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.44 3hai h VAL 113 Cb 0.25 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 3hai h VAL 113 CO -0.20 0.10 0.38 0.50 0.02 0.00 0.00 177.57 178.36 3hai h LYS 114 N 0.15 0.58 0.21 1.57 3.64 -1.06 0.11 116.57 121.78 3hai h LYS 114 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3hai h LYS 114 Cb 0.08 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3hai h LYS 114 CO -0.01 0.38 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.54 3hai h ASN 115 N 0.60 -0.24 -0.85 4.20 2.35 -0.71 -2.68 115.58 118.25 3hai h ASN 115 Ca 0.40 -0.27 0.17 0.00 -0.55 0.00 0.00 56.30 56.06 3hai h ASN 115 Cb 0.50 0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.83 3hai h ASN 115 CO -0.32 0.19 0.40 -0.25 -1.65 0.00 0.00 177.43 175.80 3hai h TRP 116 N -0.73 0.68 0.00 1.19 7.01 -0.78 0.57 115.95 123.89 3hai h TRP 116 Ca -0.03 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.01 3hai h TRP 116 Cb 0.50 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 3hai h TRP 116 CO 0.05 0.07 0.00 0.37 -2.79 0.00 0.00 178.44 176.14 3hai h GLN 117 N 0.51 0.00 0.00 2.65 4.15 -0.74 -2.20 115.11 119.48 3hai h GLN 117 Ca 0.49 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.73 3hai h GLN 117 Cb 0.81 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 3hai h GLN 117 CO -0.43 0.00 -1.01 -0.22 -1.93 0.00 0.00 178.83 175.23 3hai h LYS 118 N 0.00 0.00 0.17 1.69 1.63 0.47 -3.17 116.57 117.35 3hai h LYS 118 Ca 0.00 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 3hai h LYS 118 Cb 0.31 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3hai h LYS 118 CO 0.00 0.62 -1.59 -0.44 -3.45 0.00 0.00 179.45 174.59 3hai h ASP 119 N 0.00 0.55 0.13 4.20 5.19 -0.88 -3.40 116.42 122.22 3hai h ASP 119 Ca -0.08 -0.74 -0.01 0.00 -0.62 0.00 0.00 57.03 55.59 3hai h ASP 119 Cb 1.64 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.97 3hai h ASP 119 CO 0.08 1.61 -0.06 0.00 -3.12 0.00 0.00 179.24 177.75 3hai h ALA 120 N 0.30 -0.18 -3.30 3.45 0.00 -1.53 -3.45 119.26 114.56 3hai h ALA 120 Ca -0.28 -0.24 -0.66 0.00 0.00 0.00 0.00 54.91 53.73 3hai h ALA 120 Cb 2.07 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 19.80 3hai h ALA 120 CO 0.19 -0.31 -0.63 0.71 0.00 0.00 0.00 179.25 179.21 3hai s TYR 121 N -3.78 3.13 -0.03 0.00 2.02 -1.20 -4.90 117.35 112.59 3hai s TYR 121 Ca -0.14 0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3hai s TYR 121 Cb 0.01 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.91 3hai s TYR 121 CO 0.55 0.48 0.05 -1.01 -1.57 0.00 0.00 175.55 174.06 3hai s HIS 122 N -1.10 0.02 0.65 2.71 3.76 -1.26 -4.62 115.29 115.44 3hai s HIS 122 Ca 0.20 0.21 -0.16 0.00 -0.15 0.00 0.00 55.06 55.17 3hai s HIS 122 Cb -0.12 -0.30 -0.01 0.00 1.11 0.00 0.00 32.58 33.27 3hai s HIS 122 CO 0.11 -0.13 1.12 0.21 -0.85 0.00 0.00 174.74 175.19 3hai s LYS 123 N 1.46 2.85 0.06 1.40 2.20 -1.26 -1.97 119.74 124.47 3hai s LYS 123 Ca -0.04 1.43 0.08 0.00 -0.36 0.00 0.00 55.97 57.08 3hai s LYS 123 Cb -0.13 -1.95 -0.03 0.00 -1.51 0.00 0.00 37.83 34.21 3hai s LYS 123 CO -0.03 -1.22 -0.23 -0.65 -0.36 0.00 0.00 175.35 172.86 3hai s GLN 124 N -3.98 1.45 0.09 4.03 -1.52 -0.63 -4.79 119.66 114.32 3hai s GLN 124 Ca 0.68 -1.06 -0.23 0.00 -1.95 0.00 0.00 55.36 52.80 3hai s GLN 124 Cb -0.21 -1.65 -0.14 0.00 -0.22 0.00 0.00 33.01 30.79 3hai s GLN 124 CO 0.40 0.41 1.74 0.97 -0.25 0.00 0.00 175.29 178.56 3hai h ILE 125 N 4.23 1.00 -3.76 1.08 6.09 -1.97 -3.36 117.51 120.82 3hai h ILE 125 Ca -0.45 -0.01 -0.63 0.00 -1.37 0.00 0.00 64.86 62.40 3hai h ILE 125 Cb 1.16 0.97 -0.15 0.00 0.47 0.00 0.00 36.82 39.27 3hai h ILE 125 CO 0.43 0.00 -0.38 0.00 -3.07 0.00 0.00 178.15 175.12 3hai s MET 126 N -6.19 4.01 0.00 2.19 0.23 -1.26 -4.97 119.30 113.31 3hai s MET 126 Ca -0.13 -0.14 0.00 0.00 -1.03 0.00 0.00 55.69 54.39 3hai s MET 126 Cb 0.06 -3.63 0.00 0.00 -1.53 0.00 0.00 34.83 29.73 3hai s MET 126 CO 0.66 -0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.89 3hai n GLY 127 N 4.73 -1.47 0.00 3.16 0.00 -1.26 -5.02 105.19 105.32 3hai n GLY 127 Ca -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 0.56 3.83 -0.02 0.00 -1.26 -4.58 105.19 103.71 3hai n GLY 128 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.16 3.37 0.12 1.61 0.40 -1.26 -1.60 117.98 123.78 3hai s PHE 129 Ca 0.00 1.43 -0.25 0.00 -0.60 0.00 0.00 56.93 57.51 3hai s PHE 129 Cb 0.00 -2.70 -0.06 0.00 0.51 0.00 0.00 43.02 40.77 3hai s PHE 129 CO 0.00 0.02 1.64 -0.22 0.70 0.00 0.00 175.22 177.36 3hai h LYS 130 N 2.19 -0.35 0.00 0.44 3.64 -1.70 -1.95 116.57 118.83 3hai h LYS 130 Ca -0.48 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 3hai h LYS 130 Cb 1.18 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3hai h LYS 130 CO 0.63 -0.24 -0.08 1.05 -2.27 0.00 0.00 179.45 178.54 3hai h GLU 131 N -0.37 0.00 -0.23 1.90 9.09 -1.90 -1.26 114.58 121.80 3hai h GLU 131 Ca 0.06 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.28 3hai h GLU 131 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 3hai h GLU 131 CO -0.20 0.08 -0.60 1.15 0.05 0.00 0.00 179.01 179.49 3hai h THR 132 N 0.00 1.29 0.52 -1.06 2.02 -1.76 -3.02 112.91 110.89 3hai h THR 132 Ca -0.00 -1.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.35 3hai h THR 132 Cb 0.18 1.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.34 3hai h THR 132 CO 0.01 0.58 -0.25 0.50 0.37 0.00 0.00 175.52 176.73 3hai h LYS 133 N 0.57 -0.67 -0.72 6.66 1.63 -0.79 -0.73 116.57 122.53 3hai h LYS 133 Ca -0.00 0.05 0.27 0.00 -0.85 0.00 0.00 60.65 60.12 3hai h LYS 133 Cb 1.19 0.15 -0.10 0.00 -0.60 0.00 0.00 32.23 32.88 3hai h LYS 133 CO 0.12 -0.45 0.43 -1.91 -3.45 0.00 0.00 179.45 174.20 3hai n GLU 134 N -4.44 -0.03 -0.05 1.90 2.13 -0.56 0.98 120.64 120.58 3hai n GLU 134 Ca -0.09 0.81 -0.01 0.00 0.66 0.00 0.00 57.16 58.53 3hai n GLU 134 Cb 0.27 -1.51 -0.01 0.00 0.27 0.00 0.00 31.44 30.46 3hai n GLU 134 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hai h ALA 135 N 1.10 -0.01 -1.36 4.31 0.00 -1.39 -2.59 119.26 119.32 3hai h ALA 135 Ca 0.53 -0.03 0.43 0.00 0.00 0.00 0.00 54.91 55.83 3hai h ALA 135 Cb 1.54 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 3hai h ALA 135 CO -0.38 -0.01 0.90 1.49 0.00 0.00 0.00 179.25 181.24 3hai h GLU 136 N -1.00 0.10 0.04 0.00 4.57 0.22 0.18 114.58 118.68 3hai h GLU 136 Ca -0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 3hai h GLU 136 Cb 0.07 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3hai h GLU 136 CO 0.00 0.06 -0.50 -0.44 -1.18 0.00 0.00 179.01 176.96 3hai h ASP 137 N 0.10 0.13 -0.96 1.04 3.32 -0.54 -2.79 116.42 116.72 3hai h ASP 137 Ca 0.79 -0.90 0.16 0.00 0.02 0.00 0.00 57.03 57.11 3hai h ASP 137 Cb 2.59 -0.04 -0.16 0.00 0.22 0.00 0.00 39.33 41.93 3hai h ASP 137 CO -0.33 1.21 -0.34 0.61 -1.72 0.00 0.00 179.24 178.67 3hai n GLY 138 N 1.60 -1.88 0.40 2.75 0.00 0.40 -0.39 105.19 108.08 3hai n GLY 138 Ca -0.16 1.06 -0.18 0.00 0.00 0.00 0.00 46.02 46.75 3hai n GLY 138 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hai h PHE 139 N 0.00 -0.92 -0.80 1.61 0.04 -0.92 -1.68 116.94 114.27 3hai h PHE 139 Ca 0.37 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.20 3hai h PHE 139 Cb 0.61 0.31 -0.11 0.00 2.20 0.00 0.00 35.95 38.95 3hai h PHE 139 CO -0.82 -0.56 -0.55 0.00 -0.60 0.00 0.00 178.31 175.78 3hai h ARG 140 N -1.09 -0.13 -0.86 1.51 -0.00 -1.12 -0.36 114.38 112.34 3hai h ARG 140 Ca -0.10 0.01 0.15 0.00 -0.50 0.00 0.00 59.98 59.53 3hai h ARG 140 Cb 0.78 0.03 -0.15 0.00 0.00 0.00 0.00 29.97 30.63 3hai h ARG 140 CO 0.17 -0.09 -0.32 0.87 0.00 0.00 0.00 179.97 180.60 3hai h LYS 141 N -0.13 -0.04 0.00 0.04 1.79 -0.52 0.77 116.57 118.47 3hai h LYS 141 Ca 0.15 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3hai h LYS 141 Cb 0.49 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3hai h LYS 141 CO -0.83 -0.03 -0.02 0.00 -1.08 0.00 0.00 179.45 177.50 3hai h ALA 142 N 1.43 1.00 0.00 3.86 0.00 -0.25 -3.24 119.26 122.06 3hai h ALA 142 Ca 0.34 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 3hai h ALA 142 Cb 0.60 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3hai h ALA 142 CO -0.88 0.02 -1.76 0.94 0.00 0.00 0.00 179.25 177.57 3hai n GLN 143 N -3.11 0.65 -0.20 0.00 7.27 0.14 -4.57 117.38 117.56 3hai n GLN 143 Ca 0.02 0.06 -0.05 0.00 0.07 0.00 0.00 57.00 57.09 3hai n GLN 143 Cb 0.41 -1.67 -0.05 0.00 2.41 0.00 0.00 30.24 31.34 3hai n GLN 143 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3hai n LYS 144 N -2.68 -0.21 0.10 3.69 4.81 0.22 0.15 118.16 124.24 3hai n LYS 144 Ca -0.13 0.94 -0.16 0.00 -0.87 0.00 0.00 58.31 58.09 3hai n LYS 144 Cb 0.83 -1.40 -0.10 0.00 0.02 0.00 0.00 35.03 34.38 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 -0.71 0.00 1.64 0.11 -1.80 -0.38 132.00 130.85 3hai h PRO 145 Ca 0.08 0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 3hai h PRO 145 Cb 0.20 0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3hai h PRO 145 CO -0.45 -0.47 -0.03 2.35 -0.21 0.00 0.00 178.00 179.19 3hai h TRP 146 N -0.74 0.00 -0.10 0.65 2.91 -1.59 -2.02 115.95 115.06 3hai h TRP 146 Ca -0.00 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 3hai h TRP 146 Cb 0.75 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.40 3hai h TRP 146 CO -0.47 0.03 0.01 0.00 -1.03 0.00 0.00 178.44 176.98 3hai h ALA 147 N 1.97 0.14 0.79 2.65 0.00 0.26 -1.96 119.26 123.11 3hai h ALA 147 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3hai h ALA 147 Cb 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hai h ALA 147 CO 0.00 -0.19 -0.48 -0.22 0.00 0.00 0.00 179.25 178.36 3hai h LYS 148 N -0.07 -1.15 -0.63 0.00 3.64 -0.63 -3.09 116.57 114.64 3hai h LYS 148 Ca 0.03 0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 3hai h LYS 148 Cb 0.32 0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 3hai h LYS 148 CO 0.00 -0.77 0.21 -0.22 -2.27 0.00 0.00 179.45 176.40 3hai h LYS 149 N -1.20 0.36 0.00 1.90 1.63 -1.42 0.23 116.57 118.07 3hai h LYS 149 Ca -0.11 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3hai h LYS 149 Cb 0.96 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 3hai h LYS 149 CO 0.11 0.24 0.00 -0.12 -3.45 0.00 0.00 179.45 176.23 3hai n MET 150 N -5.03 0.05 -0.06 1.90 1.56 -0.74 -1.18 117.12 113.62 3hai n MET 150 Ca 0.10 0.53 -0.19 0.00 -0.27 0.00 0.00 57.70 57.86 3hai n MET 150 Cb 0.31 -1.66 -0.13 0.00 2.15 0.00 0.00 33.22 33.88 3hai n MET 150 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 3hai n LYS 151 N -1.77 0.70 -0.03 2.12 3.00 0.77 -3.42 118.16 119.52 3hai n LYS 151 Ca -0.00 0.20 -0.09 0.00 -0.00 0.00 0.00 58.31 58.42 3hai n LYS 151 Cb 0.03 -1.62 -0.02 0.00 0.00 0.00 0.00 35.03 33.41 3hai n LYS 151 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3hai h GLU 152 N 0.03 -0.26 -0.11 1.64 5.08 -0.84 -1.34 114.58 118.78 3hai h GLU 152 Ca -0.49 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3hai h GLU 152 Cb 1.98 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.23 3hai h GLU 152 CO 0.01 -0.18 -0.44 1.25 -1.00 0.00 0.00 179.01 178.65 3hai h LEU 153 N -0.27 -1.39 -0.55 1.33 5.85 -1.30 0.44 115.31 119.42 3hai h LEU 153 Ca 0.12 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3hai h LEU 153 Cb 0.46 0.56 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3hai h LEU 153 CO -0.36 -0.44 0.00 1.21 -0.34 0.00 0.00 178.44 178.50 3hai n GLU 154 N -5.44 0.11 -0.03 1.25 2.13 -1.18 -1.45 120.64 116.03 3hai n GLU 154 Ca -0.05 0.42 -0.12 0.00 0.66 0.00 0.00 57.16 58.07 3hai n GLU 154 Cb 0.37 -1.74 -0.10 0.00 0.27 0.00 0.00 31.44 30.24 3hai n GLU 154 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hai h ALA 155 N 2.25 -0.04 -0.32 4.31 0.00 0.97 -2.77 119.26 123.66 3hai h ALA 155 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3hai h ALA 155 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hai h ALA 155 CO 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.12 3hai h ALA 156 N 0.08 0.44 -0.19 0.00 0.00 -0.41 0.24 119.26 119.42 3hai h ALA 156 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3hai h ALA 156 Cb 0.69 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3hai h ALA 156 CO 0.01 0.17 -0.24 -0.22 0.00 0.00 0.00 179.25 178.97 3hai h LYS 157 N 0.37 -0.27 -0.96 0.00 3.64 -1.41 0.58 116.57 118.52 3hai h LYS 157 Ca 0.09 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.59 3hai h LYS 157 Cb 0.42 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 3hai h LYS 157 CO 0.01 -0.18 0.61 -0.22 -2.27 0.00 0.00 179.45 177.41 3hai h LYS 158 N -0.28 0.96 -0.02 1.90 1.63 -1.02 0.16 116.57 119.91 3hai h LYS 158 Ca 0.12 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3hai h LYS 158 Cb 0.46 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3hai h LYS 158 CO -0.35 0.63 -0.02 0.00 -3.45 0.00 0.00 179.45 176.27 3hai h ALA 159 N 1.53 0.02 -0.40 5.00 0.00 0.12 -2.88 119.26 122.66 3hai h ALA 159 Ca 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hai h ALA 159 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hai h ALA 159 CO -0.20 -0.21 0.25 -0.92 0.00 0.00 0.00 179.25 178.17 3hai h TYR 160 N -0.45 0.51 0.11 0.00 5.03 0.12 0.78 116.97 123.06 3hai h TYR 160 Ca 0.00 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.33 3hai h TYR 160 Cb 0.52 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.60 3hai h TYR 160 CO 0.10 0.34 -0.21 0.45 -1.32 0.00 0.00 178.16 177.51 3hai h HIS 161 N 0.53 -0.56 -0.91 -3.82 3.86 -0.84 -0.93 115.15 112.48 3hai h HIS 161 Ca 0.14 0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.55 3hai h HIS 161 Cb -0.04 0.23 -0.11 0.00 1.06 0.00 0.00 27.41 28.56 3hai h HIS 161 CO -0.04 -0.31 0.47 1.25 0.86 0.00 0.00 177.93 180.16 3hai h LEU 162 N -0.40 0.53 -1.52 2.43 6.46 -1.21 0.24 115.31 121.85 3hai h LEU 162 Ca 0.03 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3hai h LEU 162 Cb 0.42 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3hai h LEU 162 CO -0.12 0.15 -0.22 0.00 -0.62 0.00 0.00 178.44 177.63 3hai h ALA 163 N 1.64 1.60 0.00 1.25 0.00 0.08 -1.87 119.26 121.97 3hai h ALA 163 Ca 0.53 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 3hai h ALA 163 Cb 0.88 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3hai h ALA 163 CO -0.43 0.30 -0.77 0.00 0.00 0.00 0.00 179.25 178.35 3hai h LYS 165 N 0.00 0.29 0.03 0.00 3.64 -0.22 -3.00 116.57 117.32 3hai h LYS 165 Ca -0.05 -0.18 -0.23 0.00 -1.27 0.00 0.00 60.65 58.93 3hai h LYS 165 Cb 1.42 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.26 3hai h LYS 165 CO 0.06 0.76 -0.99 0.93 -2.27 0.00 0.00 179.45 177.93 3hai h GLU 166 N 0.23 0.27 0.00 1.90 4.39 -1.39 -1.50 114.58 118.47 3hai h GLU 166 Ca 0.00 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 3hai h GLU 166 Cb 1.02 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3hai h GLU 166 CO 0.09 1.07 -0.07 1.49 -1.16 0.00 0.00 179.01 180.43 3hai h GLU 167 N 0.13 0.00 0.00 2.33 4.81 -1.49 -0.06 114.58 120.30 3hai h GLU 167 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3hai h GLU 167 Cb 1.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.04 3hai h GLU 167 CO 0.16 0.07 -0.77 1.63 -0.73 0.00 0.00 179.01 179.36 3hai n LYS 168 N -4.03 0.07 -0.00 1.92 5.02 -1.14 -2.40 118.16 117.60 3hai n LYS 168 Ca -0.03 -0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.10 3hai n LYS 168 Cb 0.15 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 3hai n LYS 168 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hai h LEU 169 N 0.00 0.88 0.00 -0.35 7.12 0.06 -3.33 115.31 119.69 3hai h LEU 169 Ca 0.00 -0.60 -0.33 0.00 0.13 0.00 0.00 57.88 57.08 3hai h LEU 169 Cb 0.55 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 40.36 3hai h LEU 169 CO 0.00 1.40 -2.23 0.00 -0.13 0.00 0.00 178.44 177.48 3hai n ALA 170 N -2.60 1.56 0.12 1.25 0.00 -0.93 -3.45 120.51 116.45 3hai n ALA 170 Ca -0.08 -1.15 0.03 0.00 0.00 0.00 0.00 53.44 52.25 3hai n ALA 170 Cb 0.77 -0.11 0.43 0.00 0.00 0.00 0.00 19.45 20.53 3hai n ALA 170 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3hai h MET 171 N 0.00 0.26 0.01 0.00 4.05 -1.65 0.21 114.93 117.80 3hai h MET 171 Ca -0.48 -0.04 -0.32 0.00 -0.28 0.00 0.00 59.70 58.58 3hai h MET 171 Cb 2.06 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 32.76 3hai h MET 171 CO 0.01 0.32 -1.88 0.25 0.23 0.00 0.00 176.91 175.84 3hai n THR 172 N -4.34 1.58 -0.21 -0.77 -2.24 -1.25 -4.05 114.28 102.99 3hai n THR 172 Ca -0.00 -0.79 -0.07 0.00 -2.27 0.00 0.00 64.05 60.91 3hai n THR 172 Cb 0.21 -0.99 0.03 0.00 -2.10 0.00 0.00 70.33 67.48 3hai n THR 172 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3hai h ARG 173 N 0.01 0.87 -0.62 -0.78 2.43 -1.48 -0.60 114.38 114.21 3hai h ARG 173 Ca -0.36 -0.15 0.12 0.00 -0.81 0.00 0.00 59.98 58.78 3hai h ARG 173 Cb 2.06 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 31.38 3hai h ARG 173 CO 0.07 0.73 0.14 1.49 -1.51 0.00 0.00 179.97 180.89 3hai h GLU 174 N 0.81 0.26 0.00 0.20 4.81 -0.79 0.66 114.58 120.53 3hai h GLU 174 Ca 0.20 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3hai h GLU 174 Cb 0.18 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hai h GLU 174 CO -0.02 0.17 -0.16 0.52 -0.73 0.00 0.00 179.01 178.79 3hai h MET 175 N 0.27 0.00 0.00 1.92 2.86 -1.42 0.70 114.93 119.26 3hai h MET 175 Ca 0.33 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.84 3hai h MET 175 Cb 0.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3hai h MET 175 CO -0.41 0.16 -0.98 -0.91 1.06 0.00 0.00 176.91 175.83 3hai h ASN 176 N 0.00 0.00 0.72 1.22 4.21 0.43 -3.25 115.58 118.91 3hai h ASN 176 Ca -0.00 0.00 -0.26 0.00 1.21 0.00 0.00 56.30 57.25 3hai h ASN 176 Cb 0.34 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.51 3hai h ASN 176 CO 0.02 0.51 -1.28 -1.28 -1.29 0.00 0.00 177.43 174.11 3hai h SER 177 N 0.00 0.18 -0.11 5.81 0.87 0.95 -3.20 113.55 118.06 3hai h SER 177 Ca -0.08 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3hai h SER 177 Cb 1.46 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 3hai h SER 177 CO 0.05 1.18 0.00 2.29 -0.53 0.00 0.00 176.83 179.82 3hai n LYS 178 N -3.37 1.35 0.05 2.24 2.85 0.17 -2.59 118.16 118.87 3hai n LYS 178 Ca -0.08 -0.54 0.12 0.00 -1.05 0.00 0.00 58.31 56.76 3hai n LYS 178 Cb 1.00 -1.27 0.06 0.00 -0.65 0.00 0.00 35.03 34.17 3hai n LYS 178 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3hai n THR 179 N -0.19 0.30 0.11 0.58 5.66 -1.21 -3.98 114.28 115.56 3hai n THR 179 Ca 0.12 -0.32 -0.21 0.00 -3.05 0.00 0.00 64.05 60.59 3hai n THR 179 Cb 0.17 -0.01 -0.13 0.00 -1.55 0.00 0.00 70.33 68.81 3hai n THR 179 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3hai h GLU 180 N 0.00 0.52 -6.78 1.09 5.08 -1.61 -3.48 114.58 109.40 3hai h GLU 180 Ca 0.00 -0.77 -0.56 0.00 -1.00 0.00 0.00 59.36 57.04 3hai h GLU 180 Cb 0.80 0.27 -0.22 0.00 0.50 0.00 0.00 28.75 30.10 3hai h GLU 180 CO 0.00 1.35 -0.85 1.04 -1.00 0.00 0.00 179.01 179.55 3hai n GLN 181 N -3.72 -2.88 -3.79 2.33 1.13 -1.25 -4.92 117.38 104.27 3hai n GLN 181 Ca -0.13 0.35 -0.30 0.00 -1.94 0.00 0.00 57.00 54.97 3hai n GLN 181 Cb 1.01 -4.99 -0.15 0.00 0.11 0.00 0.00 30.24 26.23 3hai n GLN 181 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hai s SER 182 N -3.39 4.18 -1.01 1.08 1.04 -1.26 -4.94 113.70 109.40 3hai s SER 182 Ca 0.68 -1.75 -0.16 0.00 0.48 0.00 0.00 55.95 55.20 3hai s SER 182 Cb -0.38 -1.02 0.02 0.00 0.10 0.00 0.00 66.02 64.75 3hai s SER 182 CO 0.94 -0.41 0.64 0.52 0.98 0.00 0.00 173.24 175.91 3hai n VAL 183 N 4.72 -2.97 -2.69 5.02 0.31 -1.26 -4.94 118.33 116.52 3hai n VAL 183 Ca -0.01 -0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 63.97 3hai n VAL 183 Cb 0.42 -2.59 0.03 0.00 -0.91 0.00 0.00 33.84 30.79 3hai n VAL 183 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hai n THR 184 N -3.76 1.08 0.30 2.52 -2.24 -1.26 -4.91 114.28 106.01 3hai n THR 184 Ca -0.23 -3.06 0.18 0.00 -2.27 0.00 0.00 64.05 58.67 3hai n THR 184 Cb 0.64 0.76 0.80 0.00 -2.10 0.00 0.00 70.33 70.42 3hai n THR 184 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3hai h PRO 185 N 2.91 0.00 0.00 -0.78 0.11 -1.99 0.48 132.00 132.74 3hai h PRO 185 Ca -0.10 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.86 3hai h PRO 185 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3hai h PRO 185 CO 0.44 0.00 -1.40 0.39 -0.21 0.00 0.00 178.00 177.22 3hai n GLU 186 N -2.97 0.62 0.02 1.05 1.02 -1.26 -3.77 120.64 115.35 3hai n GLU 186 Ca -0.00 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.46 3hai n GLU 186 Cb 0.23 -1.80 0.08 0.00 -0.02 0.00 0.00 31.44 29.93 3hai n GLU 186 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3hai n GLN 187 N -2.86 0.17 0.14 3.49 0.00 -0.72 -3.34 117.38 114.26 3hai n GLN 187 Ca -0.09 0.01 0.03 0.00 -0.00 0.00 0.00 57.00 56.95 3hai n GLN 187 Cb 0.81 -1.57 0.03 0.00 0.00 0.00 0.00 30.24 29.52 3hai n GLN 187 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 3hai h GLN 188 N 0.00 0.00 0.05 3.69 4.20 -0.21 -3.05 115.11 119.79 3hai h GLN 188 Ca 0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 3hai h GLN 188 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3hai h GLN 188 CO 0.00 0.43 -1.07 0.87 -0.67 0.00 0.00 178.83 178.39 3hai h LYS 189 N 0.00 0.12 -0.07 1.46 1.57 -1.65 -3.22 116.57 114.78 3hai h LYS 189 Ca -0.01 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.41 3hai h LYS 189 Cb 1.35 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 3hai h LYS 189 CO 0.06 1.07 -0.66 0.87 -0.57 0.00 0.00 179.45 180.22 3hai h LYS 190 N 0.04 0.31 -0.56 3.15 1.57 -1.62 -1.65 116.57 117.80 3hai h LYS 190 Ca -0.06 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 3hai h LYS 190 Cb 1.80 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.13 3hai h LYS 190 CO 0.16 0.86 0.24 -0.07 -0.57 0.00 0.00 179.45 180.07 3hai h LEU 191 N 0.22 0.73 -1.72 2.94 3.38 -1.61 -1.35 115.31 117.89 3hai h LEU 191 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hai h LEU 191 Cb 1.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3hai h LEU 191 CO 0.11 0.64 0.00 1.67 0.09 0.00 0.00 178.44 180.95 3hai n GLN 192 N -4.34 2.16 -0.11 1.13 7.27 -1.19 -3.47 117.38 118.81 3hai n GLN 192 Ca 0.05 -1.71 -0.22 0.00 0.07 0.00 0.00 57.00 55.18 3hai n GLN 192 Cb 0.15 -1.47 -0.10 0.00 2.41 0.00 0.00 30.24 31.23 3hai n GLN 192 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3hai n ASP 193 N 0.99 1.89 -0.11 1.69 9.92 -0.63 -4.18 116.55 126.13 3hai n ASP 193 Ca 0.17 0.41 -0.12 0.00 -0.53 0.00 0.00 54.79 54.72 3hai n ASP 193 Cb 0.51 -0.91 0.01 0.00 -0.64 0.00 0.00 41.12 40.08 3hai n ASP 193 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 3hai h LYS 194 N -1.00 0.89 0.00 -1.24 1.57 -1.44 -2.04 116.57 113.31 3hai h LYS 194 Ca -0.41 -0.45 -0.00 0.00 -1.87 0.00 0.00 60.65 57.92 3hai h LYS 194 Cb 1.32 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 3hai h LYS 194 CO -0.25 1.10 -0.02 0.28 -0.57 0.00 0.00 179.45 179.99 3hai h VAL 195 N 0.73 0.67 0.00 0.50 2.07 -1.79 0.31 116.25 118.74 3hai h VAL 195 Ca 0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hai h VAL 195 Cb 0.93 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3hai h VAL 195 CO 0.09 0.02 -1.30 0.47 0.02 0.00 0.00 177.57 176.87 3hai n ASP 196 N -4.01 0.51 -0.03 0.57 10.43 -1.17 -2.99 116.55 119.86 3hai n ASP 196 Ca -0.03 -0.15 -0.14 0.00 2.57 0.00 0.00 54.79 57.04 3hai n ASP 196 Cb 0.11 1.11 -0.11 0.00 1.84 0.00 0.00 41.12 44.07 3hai n ASP 196 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 3hai h LYS 197 N 0.00 0.16 -0.06 -1.24 1.79 -0.48 -3.11 116.57 113.63 3hai h LYS 197 Ca 0.00 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.27 3hai h LYS 197 Cb 0.82 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 3hai h LYS 197 CO 0.00 0.82 -0.25 0.00 -1.08 0.00 0.00 179.45 178.95 3hai h LYS 199 N 0.10 0.50 0.40 0.00 1.63 -1.59 -0.82 116.57 116.78 3hai h LYS 199 Ca 0.02 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 3hai h LYS 199 Cb 0.49 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3hai h LYS 199 CO 0.03 0.38 -0.19 1.96 -3.45 0.00 0.00 179.45 178.19 3hai h GLN 200 N 0.51 -0.51 -0.29 1.90 4.20 -1.21 -2.90 115.11 116.81 3hai h GLN 200 Ca 0.13 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.92 3hai h GLN 200 Cb 0.03 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 3hai h GLN 200 CO -0.02 -0.21 -0.54 -0.44 -0.67 0.00 0.00 178.83 176.95 3hai h ASP 201 N -0.80 -1.75 -0.69 1.46 5.19 -1.12 -0.73 116.42 117.97 3hai h ASP 201 Ca -0.05 0.22 0.15 0.00 -0.62 0.00 0.00 57.03 56.73 3hai h ASP 201 Cb 0.53 0.71 -0.12 0.00 0.18 0.00 0.00 39.33 40.63 3hai h ASP 201 CO 0.09 -0.44 -0.03 0.58 -3.12 0.00 0.00 179.24 176.32 3hai h VAL 202 N -0.47 0.39 -0.14 -1.35 2.07 -1.24 0.18 116.25 115.68 3hai h VAL 202 Ca 0.06 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 3hai h VAL 202 Cb 0.63 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hai h VAL 202 CO -0.52 0.02 -0.25 -0.61 0.02 0.00 0.00 177.57 176.22 3hai h GLN 203 N 0.09 0.26 0.30 1.57 4.15 -1.19 -2.21 115.11 118.08 3hai h GLN 203 Ca 0.36 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 3hai h GLN 203 Cb 0.61 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3hai h GLN 203 CO -0.62 0.50 -0.14 0.87 -1.93 0.00 0.00 178.83 177.50 3hai h LYS 204 N 0.24 -0.39 -0.94 1.69 1.57 0.62 -3.11 116.57 116.24 3hai h LYS 204 Ca 0.04 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 3hai h LYS 204 Cb 0.57 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.88 3hai h LYS 204 CO 0.04 -0.23 0.55 1.79 -0.57 0.00 0.00 179.45 181.03 3hai h THR 205 N -1.10 0.81 0.00 -0.16 1.35 -0.82 0.72 112.91 113.72 3hai h THR 205 Ca -0.04 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3hai h THR 205 Cb 0.34 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 3hai h THR 205 CO 0.07 0.15 0.00 -0.61 -0.25 0.00 0.00 175.52 174.88 3hai h GLN 206 N 0.81 0.00 0.00 4.72 4.15 -1.50 0.32 115.11 123.61 3hai h GLN 206 Ca 0.50 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.60 3hai h GLN 206 Cb 0.62 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.25 3hai h GLN 206 CO -0.32 0.00 -1.93 -1.91 -1.93 0.00 0.00 178.83 172.74 3hai n GLU 207 N -2.75 0.65 0.02 1.69 2.13 0.24 -2.84 120.64 119.78 3hai n GLU 207 Ca -0.02 0.20 -0.06 0.00 0.66 0.00 0.00 57.16 57.94 3hai n GLU 207 Cb 0.10 -1.71 -0.04 0.00 0.27 0.00 0.00 31.44 30.07 3hai n GLU 207 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3hai h LYS 208 N 0.00 -0.16 -0.50 5.31 1.63 -0.49 -2.66 116.57 119.70 3hai h LYS 208 Ca -0.37 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.54 3hai h LYS 208 Cb 2.09 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 33.67 3hai h LYS 208 CO 0.06 0.10 -0.06 -0.92 -3.45 0.00 0.00 179.45 175.19 3hai h TYR 209 N -1.00 -0.14 0.00 1.91 3.20 -0.59 0.25 116.97 120.60 3hai h TYR 209 Ca -0.02 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hai h TYR 209 Cb 0.33 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 3hai h TYR 209 CO 0.06 -0.17 -0.06 1.49 -1.64 0.00 0.00 178.16 177.84 3hai h GLU 210 N 0.06 0.00 -0.13 1.82 4.81 -1.64 -1.81 114.58 117.69 3hai h GLU 210 Ca 0.25 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.34 3hai h GLU 210 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3hai h GLU 210 CO -0.47 0.06 -0.45 -0.22 -0.73 0.00 0.00 179.01 177.20 3hai h LYS 211 N 0.00 0.53 -0.62 1.92 3.11 -0.17 -2.75 116.57 118.59 3hai h LYS 211 Ca -0.00 -0.40 -0.00 0.00 -2.81 0.00 0.00 60.65 57.44 3hai h LYS 211 Cb 0.15 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.42 3hai h LYS 211 CO 0.01 1.02 0.38 0.28 -2.81 0.00 0.00 179.45 178.33 3hai h VAL 212 N 0.15 1.18 -0.21 2.00 2.07 -0.81 -2.42 116.25 118.21 3hai h VAL 212 Ca -0.02 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.13 3hai h VAL 212 Cb 1.08 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3hai h VAL 212 CO 0.09 0.18 0.07 0.25 0.02 0.00 0.00 177.57 178.19 3hai h LEU 213 N 0.84 0.08 -1.28 2.57 7.12 -1.24 0.46 115.31 123.86 3hai h LEU 213 Ca 0.22 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.19 3hai h LEU 213 Cb -0.03 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 3hai h LEU 213 CO -0.04 0.08 -0.30 -0.33 -0.13 0.00 0.00 178.44 177.71 3hai h GLU 214 N 0.17 0.00 0.09 1.25 4.39 -1.50 -2.82 114.58 116.16 3hai h GLU 214 Ca 0.09 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 3hai h GLU 214 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3hai h GLU 214 CO -0.10 0.30 -0.04 0.22 -1.16 0.00 0.00 179.01 178.23 3hai h ASP 215 N 0.00 -0.10 -0.95 1.42 3.58 -0.45 -2.95 116.42 116.97 3hai h ASP 215 Ca -0.00 -0.43 0.14 0.00 0.42 0.00 0.00 57.03 57.16 3hai h ASP 215 Cb 0.68 0.03 -0.08 0.00 1.72 0.00 0.00 39.33 41.68 3hai h ASP 215 CO 0.04 0.42 0.60 1.62 -2.88 0.00 0.00 179.24 179.04 3hai h VAL 216 N -0.67 0.84 0.00 2.25 3.04 -0.18 -0.26 116.25 121.28 3hai h VAL 216 Ca -0.01 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 3hai h VAL 216 Cb 0.53 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.78 3hai h VAL 216 CO 0.02 0.15 -0.06 1.23 -1.01 0.00 0.00 177.57 177.90 3hai h GLY 217 N 0.80 0.00 1.88 3.17 0.00 -1.39 -0.72 103.07 106.81 3hai h GLY 217 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3hai h GLY 217 CO -0.25 0.00 -0.12 0.50 0.00 0.00 0.00 176.54 176.68 3hai h LYS 218 N 0.00 0.00 -0.02 4.80 1.57 -0.87 -3.33 116.57 118.72 3hai h LYS 218 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hai h LYS 218 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3hai h LYS 218 CO 0.01 0.00 -0.12 -2.37 -0.57 0.00 0.00 179.45 176.40 3hai n THR 219 N -2.90 0.00 -0.01 -0.16 5.66 -0.36 -4.52 114.28 111.99 3hai n THR 219 Ca 0.04 -0.44 -0.13 0.00 -3.05 0.00 0.00 64.05 60.47 3hai n THR 219 Cb 0.51 1.26 -0.08 0.00 -1.55 0.00 0.00 70.33 70.47 3hai n THR 219 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 3hai h THR 220 N 2.46 1.28 -0.04 1.09 1.35 -1.44 -0.41 112.91 117.21 3hai h THR 220 Ca 0.00 -0.85 0.03 0.00 -0.55 0.00 0.00 66.41 65.04 3hai h THR 220 Cb 0.58 1.78 -0.06 0.00 -1.73 0.00 0.00 68.15 68.73 3hai h THR 220 CO 0.00 0.23 -0.49 -0.65 -0.25 0.00 0.00 175.52 174.36 3hai h PRO 221 N -0.27 -0.59 -0.83 4.72 0.11 -1.81 1.43 132.00 134.76 3hai h PRO 221 Ca 0.01 0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.35 3hai h PRO 221 Cb 0.37 0.13 -0.12 0.00 0.11 0.00 0.00 31.00 31.49 3hai h PRO 221 CO 0.00 -0.39 0.29 0.37 -0.21 0.00 0.00 178.00 178.06 3hai h GLN 222 N -0.61 0.33 -0.12 1.05 5.75 -1.82 0.78 115.11 120.47 3hai h GLN 222 Ca 0.04 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3hai h GLN 222 Cb 0.69 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 3hai h GLN 222 CO -0.36 0.22 -0.05 -0.92 -2.65 0.00 0.00 178.83 175.06 3hai h TYR 223 N 0.34 -0.12 0.84 3.99 3.20 0.85 -1.02 116.97 125.05 3hai h TYR 223 Ca 0.50 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.34 3hai h TYR 223 Cb 0.91 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.25 3hai h TYR 223 CO -0.20 -0.09 -0.48 0.52 -1.64 0.00 0.00 178.16 176.27 3hai h MET 224 N -0.04 -1.18 -1.06 1.82 2.86 0.77 -0.01 114.93 118.09 3hai h MET 224 Ca 0.07 0.08 0.30 0.00 -2.06 0.00 0.00 59.70 58.09 3hai h MET 224 Cb 0.14 0.27 -0.12 0.00 0.06 0.00 0.00 31.60 31.94 3hai h MET 224 CO -0.15 -0.79 0.64 0.93 1.06 0.00 0.00 176.91 178.61 3hai h GLU 225 N -1.23 0.37 0.48 1.72 5.08 0.26 -0.44 114.58 120.82 3hai h GLU 225 Ca -0.11 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3hai h GLU 225 Cb 0.97 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3hai h GLU 225 CO 0.14 0.25 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.26 3hai h ASN 226 N 0.39 -0.54 0.11 1.42 2.35 -0.10 -2.12 115.58 117.09 3hai h ASN 226 Ca 0.68 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.44 3hai h ASN 226 Cb 1.62 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 40.13 3hai h ASN 226 CO -0.46 -0.28 -0.05 0.24 -1.65 0.00 0.00 177.43 175.24 3hai h MET 227 N -0.86 0.00 0.00 0.81 2.86 -0.56 0.17 114.93 117.35 3hai h MET 227 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3hai h MET 227 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3hai h MET 227 CO 0.11 0.05 0.00 -1.91 1.06 0.00 0.00 176.91 176.22 3hai n GLU 228 N -3.98 0.08 -0.09 1.72 4.07 -0.22 -2.22 120.64 120.00 3hai n GLU 228 Ca -0.03 0.16 -0.23 0.00 -0.06 0.00 0.00 57.16 57.00 3hai n GLU 228 Cb 0.14 -1.61 -0.12 0.00 -0.06 0.00 0.00 31.44 29.79 3hai n GLU 228 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 3hai n GLN 229 N -1.76 0.62 0.29 5.31 7.27 0.57 -2.89 117.38 126.79 3hai n GLN 229 Ca 0.05 0.41 0.15 0.00 0.07 0.00 0.00 57.00 57.69 3hai n GLN 229 Cb 0.31 -1.67 0.89 0.00 2.41 0.00 0.00 30.24 32.17 3hai n GLN 229 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3hai h VAL 230 N -0.68 0.48 0.00 1.69 2.07 -1.51 -2.70 116.25 115.60 3hai h VAL 230 Ca -0.45 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3hai h VAL 230 Cb 1.58 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3hai h VAL 230 CO -0.18 0.03 -0.00 0.15 0.02 0.00 0.00 177.57 177.60 3hai h PHE 231 N 0.00 -0.00 -0.49 1.57 3.04 -1.55 -2.59 116.94 116.92 3hai h PHE 231 Ca -0.00 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.06 3hai h PHE 231 Cb 0.10 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 3hai h PHE 231 CO 0.00 0.85 0.34 1.49 -2.02 0.00 0.00 178.31 178.97 3hai h GLU 232 N -0.99 0.18 -0.20 1.11 4.22 -1.49 0.41 114.58 117.83 3hai h GLU 232 Ca -0.00 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.33 3hai h GLU 232 Cb 0.85 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3hai h GLU 232 CO 0.00 0.12 -0.29 0.37 -2.18 0.00 0.00 179.01 177.03 3hai h GLN 233 N 0.19 0.39 -0.26 1.92 5.75 -1.45 -1.48 115.11 120.16 3hai h GLN 233 Ca 0.23 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3hai h GLN 233 Cb 0.65 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 3hai h GLN 233 CO -0.04 0.64 0.04 0.00 -2.65 0.00 0.00 178.83 176.82 3hai h GLN 235 N 0.24 0.90 -0.66 0.00 1.08 -0.68 -1.26 115.11 114.74 3hai h GLN 235 Ca 0.08 -0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.35 3hai h GLN 235 Cb 0.34 -0.20 -0.13 0.00 -0.05 0.00 0.00 27.48 27.44 3hai h GLN 235 CO 0.01 0.60 -0.25 0.37 -0.95 0.00 0.00 178.83 178.60 3hai h GLN 236 N 0.93 -0.07 -0.12 1.46 5.75 -1.18 0.30 115.11 122.18 3hai h GLN 236 Ca 0.41 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.80 3hai h GLN 236 Cb 0.29 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3hai h GLN 236 CO -0.21 -0.05 -0.38 0.35 -2.65 0.00 0.00 178.83 175.89 3hai h PHE 237 N -0.07 0.61 -0.03 3.99 -0.00 -1.31 -2.05 116.94 118.08 3hai h PHE 237 Ca 0.29 -0.25 0.03 0.00 -0.00 0.00 0.00 57.97 58.04 3hai h PHE 237 Cb 0.53 -0.10 -0.06 0.00 -0.00 0.00 0.00 35.95 36.32 3hai h PHE 237 CO -0.60 0.99 -0.48 1.49 -0.00 0.00 0.00 178.31 179.71 3hai h GLU 238 N 0.06 -0.59 -1.16 1.11 4.57 -0.86 -1.78 114.58 115.93 3hai h GLU 238 Ca -0.01 0.04 0.33 0.00 -1.18 0.00 0.00 59.36 58.54 3hai h GLU 238 Cb 1.00 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.65 3hai h GLU 238 CO 0.08 -0.39 0.81 1.49 -1.18 0.00 0.00 179.01 179.81 3hai h GLU 239 N -0.61 0.13 -0.27 1.92 4.81 -0.12 0.88 114.58 121.32 3hai h GLU 239 Ca 0.04 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 3hai h GLU 239 Cb 0.69 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 3hai h GLU 239 CO -0.36 0.08 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.51 3hai h LYS 240 N 0.13 0.66 -0.18 1.92 3.64 -0.61 -1.74 116.57 120.39 3hai h LYS 240 Ca 0.60 -0.35 -0.21 0.00 -1.27 0.00 0.00 60.65 59.41 3hai h LYS 240 Cb 2.07 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.91 3hai h LYS 240 CO -0.13 0.96 -0.72 0.07 -2.27 0.00 0.00 179.45 177.36 3hai h ARG 241 N 0.39 0.80 -0.78 1.90 0.11 0.10 -2.81 114.38 114.09 3hai h ARG 241 Ca 0.04 -0.61 0.11 0.00 0.10 0.00 0.00 59.98 59.62 3hai h ARG 241 Cb 0.84 0.12 -0.05 0.00 1.11 0.00 0.00 29.97 31.98 3hai h ARG 241 CO 0.07 1.23 0.51 -0.07 0.10 0.00 0.00 179.97 181.81 3hai h LEU 242 N 0.56 0.58 0.35 0.08 3.38 -1.10 0.26 115.31 119.42 3hai h LEU 242 Ca -0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hai h LEU 242 Cb 1.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hai h LEU 242 CO 0.15 0.33 -0.17 0.58 0.09 0.00 0.00 178.44 179.42 3hai h VAL 243 N 0.63 0.00 -0.93 1.22 2.07 -1.30 -2.62 116.25 115.32 3hai h VAL 243 Ca 0.37 -0.35 0.17 0.00 0.82 0.00 0.00 66.70 67.72 3hai h VAL 243 Cb 0.58 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.18 3hai h VAL 243 CO -0.14 0.00 -0.28 0.33 0.02 0.00 0.00 177.57 177.50 3hai n PHE 244 N -4.24 0.23 -0.13 1.57 -0.00 -0.99 -1.57 117.46 112.32 3hai n PHE 244 Ca -0.06 1.14 -0.06 0.00 -0.00 0.00 0.00 57.45 58.46 3hai n PHE 244 Cb 0.19 -0.97 0.02 0.00 -0.00 0.00 0.00 39.48 38.72 3hai n PHE 244 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3hai h LEU 245 N 0.00 0.34 -0.87 -2.13 7.12 -0.41 0.19 115.31 119.56 3hai h LEU 245 Ca 0.40 0.02 0.11 0.00 0.13 0.00 0.00 57.88 58.54 3hai h LEU 245 Cb 0.63 -0.05 -0.08 0.00 -0.53 0.00 0.00 40.66 40.63 3hai h LEU 245 CO -0.94 0.25 0.50 0.50 -0.13 0.00 0.00 178.44 178.61 3hai h LYS 246 N 0.45 0.77 -0.27 1.25 3.64 -0.90 -1.42 116.57 120.09 3hai h LYS 246 Ca 0.18 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3hai h LYS 246 Cb 0.06 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3hai h LYS 246 CO -0.11 0.51 -0.32 1.49 -2.27 0.00 0.00 179.45 178.75 3hai h GLU 247 N 0.79 0.58 -0.42 1.90 4.81 -0.27 -1.73 114.58 120.23 3hai h GLU 247 Ca 0.44 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3hai h GLU 247 Cb 0.47 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3hai h GLU 247 CO -0.28 0.83 0.23 0.28 -0.73 0.00 0.00 179.01 179.34 3hai h VAL 248 N 0.49 1.16 -0.08 0.32 2.07 -0.18 -1.56 116.25 118.47 3hai h VAL 248 Ca 0.06 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3hai h VAL 248 Cb 0.80 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3hai h VAL 248 CO 0.07 0.17 -0.30 -0.07 0.02 0.00 0.00 177.57 177.45 3hai h LEU 249 N 0.55 0.14 0.28 2.57 3.38 -0.84 0.20 115.31 121.59 3hai h LEU 249 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hai h LEU 249 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hai h LEU 249 CO -0.02 0.45 -0.13 -0.07 0.09 0.00 0.00 178.44 178.75 3hai h LEU 250 N 0.13 -0.32 -1.71 1.67 3.38 -1.11 -1.61 115.31 115.74 3hai h LEU 250 Ca 0.02 -0.16 0.29 0.00 0.09 0.00 0.00 57.88 58.13 3hai h LEU 250 Cb 0.60 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 3hai h LEU 250 CO 0.04 -0.01 0.73 0.44 0.09 0.00 0.00 178.44 179.74 3hai h ASP 251 N -0.64 0.21 0.09 -0.43 5.19 -0.18 0.58 116.42 121.23 3hai h ASP 251 Ca -0.04 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hai h ASP 251 Cb 0.46 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3hai h ASP 251 CO 0.06 0.04 -0.04 0.40 -3.12 0.00 0.00 179.24 176.58 3hai h ILE 252 N 0.18 0.80 -0.95 0.35 2.04 -0.90 -2.59 117.51 116.44 3hai h ILE 252 Ca 0.55 -1.38 0.26 0.00 1.00 0.00 0.00 64.86 65.30 3hai h ILE 252 Cb 1.82 1.44 -0.13 0.00 -0.74 0.00 0.00 36.82 39.20 3hai h ILE 252 CO -0.14 0.24 0.46 0.50 0.00 0.00 0.00 178.15 179.21 3hai h LYS 253 N -0.95 0.37 0.04 2.37 3.11 0.05 0.50 116.57 122.05 3hai h LYS 253 Ca -0.01 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.82 3hai h LYS 253 Cb 0.49 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 3hai h LYS 253 CO 0.02 0.25 -0.09 -0.09 -2.81 0.00 0.00 179.45 176.72 3hai h ARG 254 N 0.38 -0.18 0.00 1.90 2.43 -1.03 -0.80 114.38 117.09 3hai h ARG 254 Ca 0.63 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.80 3hai h ARG 254 Cb 1.28 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3hai h ARG 254 CO -0.56 -0.12 -0.06 0.45 -1.51 0.00 0.00 179.97 178.17 3hai h HIS 255 N -0.19 0.00 0.16 2.20 3.86 0.28 -2.92 115.15 118.54 3hai h HIS 255 Ca 0.02 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.92 3hai h HIS 255 Cb 0.21 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.68 3hai h HIS 255 CO -0.14 0.06 -1.53 -0.07 0.86 0.00 0.00 177.93 177.12 3hai h LEU 256 N 0.00 0.52 -9.20 2.43 3.38 -0.28 -3.43 115.31 108.72 3hai h LEU 256 Ca -0.00 -0.67 -0.56 0.00 0.09 0.00 0.00 57.88 56.75 3hai h LEU 256 Cb 0.47 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.06 3hai h LEU 256 CO 0.01 1.55 1.34 -3.20 0.09 0.00 0.00 178.44 178.22 3hai n ASN 257 N -3.53 3.79 -0.03 -0.43 2.85 -0.36 -4.87 115.26 112.68 3hai n ASN 257 Ca -0.17 0.63 -0.21 0.00 -0.11 0.00 0.00 54.58 54.72 3hai n ASN 257 Cb 1.06 -1.53 -0.13 0.00 1.24 0.00 0.00 39.78 40.42 3hai n ASN 257 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3hai h LEU 258 N 12.32 0.25 -9.63 1.20 3.38 -1.88 -3.45 115.31 117.49 3hai h LEU 258 Ca -0.46 -0.76 -0.40 0.00 0.09 0.00 0.00 57.88 56.34 3hai h LEU 258 Cb 1.24 -0.08 0.21 0.00 0.09 0.00 0.00 40.66 42.12 3hai h LEU 258 CO 0.95 1.64 -0.76 0.00 0.09 0.00 0.00 178.44 180.35 3hai n ALA 259 N -3.13 -3.54 -0.95 1.53 0.00 -1.26 -1.51 120.51 111.65 3hai n ALA 259 Ca -0.29 -1.31 -0.05 0.00 0.00 0.00 0.00 53.44 51.78 3hai n ALA 259 Cb 0.86 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 3hai n ALA 259 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hai n GLU 260 N -2.66 -1.72 -3.72 0.00 1.02 -1.26 -4.87 120.64 107.43 3hai n GLU 260 Ca 0.03 0.52 -0.38 0.00 -0.02 0.00 0.00 57.16 57.31 3hai n GLU 260 Cb 0.57 -4.51 -0.12 0.00 -0.02 0.00 0.00 31.44 27.36 3hai n GLU 260 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hai s ASN 261 N -1.65 5.38 0.10 1.62 3.84 -0.57 -5.00 114.94 118.66 3hai s ASN 261 Ca 0.00 -1.44 -0.17 0.00 0.21 0.00 0.00 52.86 51.46 3hai s ASN 261 Cb 0.00 -1.89 -0.02 0.00 -0.55 0.00 0.00 41.25 38.80 3hai s ASN 261 CO 0.00 -0.43 0.90 -1.54 -2.79 0.00 0.00 177.10 173.23 3hai n SER 262 N 4.79 -0.58 -0.25 -4.21 3.41 -1.26 0.07 113.62 115.59 3hai n SER 262 Ca -0.10 1.03 0.04 0.00 -0.26 0.00 0.00 58.87 59.58 3hai n SER 262 Cb 0.43 -0.15 0.14 0.00 -0.26 0.00 0.00 64.21 64.38 3hai n SER 262 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hai h SER 263 N 0.00 -0.36 0.83 4.04 0.02 -1.94 0.24 113.55 116.38 3hai h SER 263 Ca 0.11 0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 61.21 3hai h SER 263 Cb 0.25 0.34 0.01 0.00 0.14 0.00 0.00 62.40 63.14 3hai h SER 263 CO -0.55 -0.17 -0.40 0.22 -1.14 0.00 0.00 176.83 174.79 3hai h TYR 264 N 0.10 -1.04 -1.00 3.45 3.20 -0.64 -1.05 116.97 119.99 3hai h TYR 264 Ca 0.39 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.43 3hai h TYR 264 Cb 0.68 0.34 -0.11 0.00 1.54 0.00 0.00 36.73 39.18 3hai h TYR 264 CO -0.42 -0.64 0.61 0.82 -1.64 0.00 0.00 178.16 176.88 3hai h ILE 265 N -1.13 0.70 -0.74 1.81 1.08 -1.31 -1.64 117.51 116.28 3hai h ILE 265 Ca -0.11 -0.26 0.01 0.00 -0.39 0.00 0.00 64.86 64.11 3hai h ILE 265 Cb 0.86 -0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 3hai h ILE 265 CO 0.19 0.14 0.48 -0.74 -0.69 0.00 0.00 178.15 177.53 3hai h HIS 266 N 0.75 0.91 -0.69 1.37 2.76 -0.03 -2.58 115.15 117.64 3hai h HIS 266 Ca 0.58 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.89 3hai h HIS 266 Cb 0.92 -0.31 -0.09 0.00 1.55 0.00 0.00 27.41 29.49 3hai h HIS 266 CO -0.00 0.56 0.25 0.28 -1.30 0.00 0.00 177.93 177.71 3hai h VAL 267 N 0.97 0.69 -0.00 5.26 2.07 -0.21 -2.00 116.25 123.02 3hai h VAL 267 Ca 0.28 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.66 3hai h VAL 267 Cb -0.07 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3hai h VAL 267 CO -0.08 0.07 -0.14 -1.22 0.02 0.00 0.00 177.57 176.23 3hai n TYR 268 N -5.02 0.00 0.10 1.57 4.01 -0.98 -1.85 117.16 114.99 3hai n TYR 268 Ca 0.12 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.66 3hai n TYR 268 Cb 0.36 -0.30 -0.15 0.00 -0.31 0.00 0.00 39.34 38.94 3hai n TYR 268 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hai h ARG 269 N 0.23 0.37 -0.13 -0.72 3.08 -1.27 -3.16 114.38 112.77 3hai h ARG 269 Ca 0.00 -0.63 -0.09 0.00 0.07 0.00 0.00 59.98 59.33 3hai h ARG 269 Cb 0.42 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3hai h ARG 269 CO 0.00 1.27 -0.26 1.49 -1.07 0.00 0.00 179.97 181.41 3hai h GLU 270 N 0.10 0.40 -0.65 0.04 4.81 -1.26 -2.40 114.58 115.62 3hai h GLU 270 Ca -0.25 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 58.78 3hai h GLU 270 Cb 2.07 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.43 3hai h GLU 270 CO 0.20 0.86 0.35 1.25 -0.73 0.00 0.00 179.01 180.94 3hai h LEU 271 N -0.00 0.50 -0.79 1.64 6.46 -1.53 -2.44 115.31 119.14 3hai h LEU 271 Ca 0.00 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3hai h LEU 271 Cb 0.84 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 3hai h LEU 271 CO 0.06 0.32 0.47 -0.08 -0.62 0.00 0.00 178.44 178.58 3hai h GLU 272 N 0.63 1.08 0.08 1.25 4.81 -1.44 -1.74 114.58 119.25 3hai h GLU 272 Ca 0.30 -0.11 -0.26 0.00 -0.13 0.00 0.00 59.36 59.17 3hai h GLU 272 Cb 0.22 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3hai h GLU 272 CO -0.20 0.77 -1.22 1.96 -0.73 0.00 0.00 179.01 179.59 3hai h GLN 273 N 1.09 0.16 -0.37 1.92 1.08 -1.37 -2.05 115.11 115.57 3hai h GLN 273 Ca 0.28 -0.28 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3hai h GLN 273 Cb -0.02 0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.43 3hai h GLN 273 CO -0.05 1.10 -0.14 0.00 -0.95 0.00 0.00 178.83 178.78 3hai h ALA 274 N 0.73 0.17 0.83 3.87 0.00 -1.24 0.13 119.26 123.75 3hai h ALA 274 Ca -0.11 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hai h ALA 274 Cb 1.91 0.37 0.01 0.00 0.00 0.00 0.00 17.79 20.08 3hai h ALA 274 CO 0.17 -0.51 -0.40 0.82 0.00 0.00 0.00 179.25 179.33 3hai h ILE 275 N -0.07 0.17 -0.02 0.00 2.04 -1.19 -2.61 117.51 115.84 3hai h ILE 275 Ca 0.19 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3hai h ILE 275 Cb 0.35 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3hai h ILE 275 CO -0.42 0.00 0.02 0.03 0.00 0.00 0.00 178.15 177.78 3hai h ARG 276 N -1.13 0.00 -0.17 2.37 3.08 -1.24 0.14 114.38 117.43 3hai h ARG 276 Ca -0.11 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.98 3hai h ARG 276 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3hai h ARG 276 CO 0.19 0.00 0.16 0.78 -1.07 0.00 0.00 179.97 180.03 3hai h GLY 277 N 0.00 0.00 -5.17 0.04 0.00 -0.33 -3.42 103.07 94.18 3hai h GLY 277 Ca 0.01 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.78 3hai h GLY 277 CO -0.00 0.00 1.04 0.00 0.00 0.00 0.00 176.54 177.58 3hai n ALA 278 N -2.38 1.72 -4.08 3.60 0.00 0.49 -4.97 120.51 114.89 3hai n ALA 278 Ca 0.01 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3hai n ALA 278 Cb 0.29 -2.52 -0.15 0.00 0.00 0.00 0.00 19.45 17.06 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 2.66 3.96 0.26 0.00 3.68 -1.26 -4.97 116.67 121.00 3hai s ASP 279 Ca 0.84 -1.13 0.05 0.00 2.13 0.00 0.00 52.55 54.43 3hai s ASP 279 Cb -0.57 -1.50 0.32 0.00 -1.45 0.00 0.00 42.92 39.72 3hai s ASP 279 CO 0.41 -0.13 1.61 0.00 0.13 0.00 0.00 175.17 177.19 3hai h ALA 280 N 7.84 0.94 -2.57 3.66 0.00 -1.98 -1.73 119.26 125.42 3hai h ALA 280 Ca -0.28 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3hai h ALA 280 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hai h ALA 280 CO 0.52 0.67 0.00 1.04 0.00 0.00 0.00 179.25 181.48 3hai n GLN 281 N -3.94 0.00 -0.24 0.00 1.13 -1.26 0.20 117.38 113.27 3hai n GLN 281 Ca -0.02 0.18 0.09 0.00 -1.94 0.00 0.00 57.00 55.30 3hai n GLN 281 Cb 0.56 -1.07 0.18 0.00 0.11 0.00 0.00 30.24 30.02 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 -0.83 -0.06 0.02 -1.09 0.00 -1.24 0.26 120.64 117.70 3hai n GLU 282 Ca 0.00 1.06 -0.14 0.00 0.00 0.00 0.00 57.16 58.08 3hai n GLU 282 Cb 0.00 -1.66 -0.09 0.00 0.00 0.00 0.00 31.44 29.70 3hai n GLU 282 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3hai h ASP 283 N 0.00 -1.50 -0.90 4.31 5.19 -0.88 0.19 116.42 122.83 3hai h ASP 283 Ca 0.40 0.17 0.03 0.00 -0.62 0.00 0.00 57.03 57.02 3hai h ASP 283 Cb 0.78 0.58 -0.05 0.00 0.18 0.00 0.00 39.33 40.81 3hai h ASP 283 CO -0.68 -0.45 0.59 -0.07 -3.12 0.00 0.00 179.24 175.52 3hai h LEU 284 N -0.56 0.97 -0.06 1.55 3.38 1.54 -1.85 115.31 120.29 3hai h LEU 284 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hai h LEU 284 Cb 0.62 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3hai h LEU 284 CO -0.35 0.67 0.01 0.03 0.09 0.00 0.00 178.44 178.89 3hai h ARG 285 N 1.13 0.09 -0.58 1.13 3.08 0.00 -2.06 114.38 117.18 3hai h ARG 285 Ca 0.35 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.49 3hai h ARG 285 Cb 0.01 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 29.93 3hai h ARG 285 CO -0.10 0.30 -0.29 2.35 -1.07 0.00 0.00 179.97 181.15 3hai h TRP 286 N -0.13 -0.78 -1.00 3.04 7.01 0.16 0.23 115.95 124.47 3hai h TRP 286 Ca 0.02 0.07 0.06 0.00 2.11 0.00 0.00 58.89 61.15 3hai h TRP 286 Cb 0.25 0.43 -0.07 0.00 -2.10 0.00 0.00 29.16 27.67 3hai h TRP 286 CO 0.01 -0.36 0.64 0.35 -2.79 0.00 0.00 178.44 176.29 3hai h PHE 287 N -0.14 1.19 0.07 2.65 3.04 -1.14 0.62 116.94 123.23 3hai h PHE 287 Ca 0.24 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.23 3hai h PHE 287 Cb 0.53 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 3hai h PHE 287 CO -0.60 0.62 -0.10 -0.09 -2.02 0.00 0.00 178.31 176.13 3hai h ARG 288 N 1.17 -0.19 0.00 1.11 2.43 -0.31 0.33 114.38 118.92 3hai h ARG 288 Ca 0.43 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.52 3hai h ARG 288 Cb 0.16 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3hai h ARG 288 CO -0.17 -0.13 -0.44 0.77 -1.51 0.00 0.00 179.97 178.48 3hai h SER 289 N -0.20 0.00 0.46 -3.80 0.02 0.41 0.78 113.55 111.22 3hai h SER 289 Ca 0.01 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.71 3hai h SER 289 Cb 0.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3hai h SER 289 CO -0.04 0.44 -1.73 0.41 -1.14 0.00 0.00 176.83 174.77 3hai n THR 290 N -3.41 1.36 0.00 -2.27 -1.04 0.20 -3.39 114.28 105.74 3hai n THR 290 Ca 0.01 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 3hai n THR 290 Cb 0.61 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 3hai n THR 290 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3hai n SER 291 N -2.91 0.05 -0.74 8.00 2.88 0.11 -4.95 113.62 116.05 3hai n SER 291 Ca -0.16 -0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 3hai n SER 291 Cb 0.98 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.73 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 0.31 6.00 0.39 0.46 0.00 0.22 -4.99 105.19 107.59 3hai n GLY 292 Ca 0.00 -2.09 0.18 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.91 -0.07 132.00 131.74 3hai h PRO 293 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 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 -0.00 0.78 -0.21 0.00 0.00 178.00 178.57 3hai h GLY 294 N 0.00 0.00 -3.68 -0.55 0.00 -1.72 -3.44 103.07 93.68 3hai h GLY 294 Ca 0.17 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.00 3hai h GLY 294 CO -0.00 0.00 0.40 -3.16 0.00 0.00 0.00 176.54 173.78 3hai s MET 295 N -4.95 4.72 0.58 4.80 0.23 -0.04 -4.83 119.30 119.81 3hai s MET 295 Ca -0.05 1.61 -0.19 0.00 -1.03 0.00 0.00 55.69 56.03 3hai s MET 295 Cb 0.16 -3.17 -0.05 0.00 -1.53 0.00 0.00 34.83 30.24 3hai s MET 295 CO 0.64 0.35 1.00 -2.30 -2.03 0.00 0.00 175.02 172.67 3hai n PRO 296 N 1.23 1.01 -3.90 3.16 -0.02 -1.26 -5.02 135.00 130.20 3hai n PRO 296 Ca -0.01 0.38 -0.20 0.00 -2.02 0.00 0.00 63.50 61.66 3hai n PRO 296 Cb 0.46 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.59 3hai n PRO 296 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3hai s MET 297 N -2.68 0.47 -0.59 -0.52 1.75 -1.26 -5.10 119.30 111.36 3hai s MET 297 Ca 0.74 0.08 -0.28 0.00 -1.25 0.00 0.00 55.69 54.98 3hai s MET 297 Cb -0.43 -0.72 0.03 0.00 2.84 0.00 0.00 34.83 36.55 3hai s MET 297 CO 0.48 -0.20 1.18 -0.80 -0.65 0.00 0.00 175.02 175.04 3hai s ASN 298 N 1.43 6.42 0.35 1.11 0.01 -1.26 -5.01 114.94 117.98 3hai s ASN 298 Ca -0.04 0.05 -0.25 0.00 -0.71 0.00 0.00 52.86 51.91 3hai s ASN 298 Cb -0.13 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 38.88 3hai s ASN 298 CO -0.03 -1.49 0.95 0.26 -1.51 0.00 0.00 177.10 175.29 3hai s TRP 299 N 4.94 3.60 0.19 2.20 0.52 -1.26 -4.96 118.94 124.17 3hai s TRP 299 Ca 0.42 1.74 -0.29 0.00 0.02 0.00 0.00 56.10 57.99 3hai s TRP 299 Cb -0.08 -2.92 -0.17 0.00 -1.15 0.00 0.00 33.47 29.15 3hai s TRP 299 CO 0.24 0.10 0.58 -2.30 0.02 0.00 0.00 176.95 175.59 3hai n PRO 300 N 0.30 0.07 -3.91 4.98 -0.02 -1.26 -4.97 135.00 130.19 3hai n PRO 300 Ca 0.03 0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 3hai n PRO 300 Cb 0.51 -1.08 -0.11 0.00 -0.02 0.00 0.00 33.50 32.80 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 -0.97 0.35 0.12 -0.52 0.74 -1.26 -5.12 119.66 113.00 3hai s GLN 301 Ca 0.65 -0.41 -0.31 0.00 0.05 0.00 0.00 55.36 55.35 3hai s GLN 301 Cb -0.94 0.14 -0.10 0.00 1.10 0.00 0.00 33.01 33.21 3hai s GLN 301 CO 0.56 -0.07 1.79 0.12 -0.55 0.00 0.00 175.29 177.14 3hai s PHE 302 N -1.19 2.24 -0.21 1.67 5.99 -1.26 -4.97 117.98 120.25 3hai s PHE 302 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 56.93 56.87 3hai s PHE 302 Cb -0.08 -4.13 0.02 0.00 0.00 0.00 0.00 43.02 38.84 3hai s PHE 302 CO 0.00 -4.62 -0.15 -1.21 -0.00 0.00 0.00 175.22 169.24 3hai s GLU 303 N 2.65 2.88 0.96 10.12 2.02 -1.26 -5.12 118.70 130.95 3hai s GLU 303 Ca 0.79 -0.92 -0.14 0.00 0.02 0.00 0.00 54.97 54.73 3hai s GLU 303 Cb -0.45 -2.73 0.17 0.00 0.10 0.00 0.00 34.13 31.22 3hai s GLU 303 CO 0.35 -0.30 1.16 -1.21 0.02 0.00 0.00 175.26 175.29 3hai s GLU 304 N 1.28 0.72 0.34 1.61 0.41 -1.26 -5.02 118.70 116.78 3hai s GLU 304 Ca 0.02 0.14 -0.27 0.00 -0.41 0.00 0.00 54.97 54.45 3hai s GLU 304 Cb -0.15 -1.80 -0.09 0.00 -1.78 0.00 0.00 34.13 30.31 3hai s GLU 304 CO -0.09 -2.46 1.08 -0.46 -0.49 0.00 0.00 175.26 172.84 3hai s TRP 305 N -3.32 3.42 0.10 1.61 -0.00 -1.26 -4.98 118.94 114.50 3hai s TRP 305 Ca 0.66 1.67 -0.34 0.00 -0.00 0.00 0.00 56.10 58.09 3hai s TRP 305 Cb -0.13 -3.23 -0.15 0.00 -0.00 0.00 0.00 33.47 29.97 3hai s TRP 305 CO 0.54 -0.63 1.54 -0.91 -0.00 0.00 0.00 176.95 177.49 3hai h ASN 306 N 3.20 -1.51 1.60 5.86 -0.26 -2.07 -3.46 115.58 118.94 3hai h ASN 306 Ca -0.47 0.15 -0.08 0.00 -0.56 0.00 0.00 56.30 55.34 3hai h ASN 306 Cb 1.21 0.54 -0.01 0.00 -1.06 0.00 0.00 38.32 39.01 3hai h ASN 306 CO 0.65 -0.57 -0.38 -0.65 -1.06 0.00 0.00 177.43 175.42 3hai h PRO 307 N -0.79 0.00 0.00 0.81 0.11 -2.06 -3.56 132.00 126.51 3hai h PRO 307 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3hai h PRO 307 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3hai h PRO 307 CO -0.23 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 177.54