#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cik h GLU 3 N 0.00 0.54 0.00 -1.46 5.08 -2.05 0.15 114.58 116.85 3cik h GLU 3 Ca 0.00 -0.79 -0.03 0.00 -1.00 0.00 0.00 59.36 57.54 3cik h GLU 3 Cb 0.00 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3cik h GLU 3 CO 0.00 1.36 -0.12 -0.07 -1.00 0.00 0.00 179.01 179.18 3cik h LEU 4 N 0.11 0.00 0.00 1.33 3.38 -2.05 -1.93 115.31 116.16 3cik h LEU 4 Ca -0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3cik h LEU 4 Cb 1.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 3cik h LEU 4 CO 0.23 0.12 -0.06 0.44 0.09 0.00 0.00 178.44 179.26 3cik h ASP 5 N 0.00 0.00 0.10 -0.43 3.32 -1.97 -3.05 116.42 114.38 3cik h ASP 5 Ca -0.00 -0.76 -0.01 0.00 0.02 0.00 0.00 57.03 56.28 3cik h ASP 5 Cb 0.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3cik h ASP 5 CO 0.02 0.92 -0.03 1.56 -1.72 0.00 0.00 179.24 179.98 3cik h GLN 6 N -1.00 0.00 0.15 3.56 4.20 -0.62 0.15 115.11 121.54 3cik h GLN 6 Ca -0.02 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.37 3cik h GLN 6 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3cik h GLN 6 CO -0.01 0.03 -1.64 -0.07 -0.67 0.00 0.00 178.83 176.47 3cik h LEU 7 N 0.00 0.50 -1.49 1.46 3.38 -1.52 -3.08 115.31 114.56 3cik h LEU 7 Ca -0.00 -0.90 -0.05 0.00 0.09 0.00 0.00 57.88 57.01 3cik h LEU 7 Cb 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3cik h LEU 7 CO 0.00 1.73 -0.26 0.03 0.09 0.00 0.00 178.44 180.04 3cik h ARG 8 N -0.07 0.00 -0.14 1.13 3.08 -1.33 0.47 114.38 117.51 3cik h ARG 8 Ca -0.34 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.57 3cik h ARG 8 Cb 1.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.99 3cik h ARG 8 CO 0.12 0.26 -0.50 0.37 -1.07 0.00 0.00 179.97 179.14 3cik h GLN 9 N 0.00 0.39 -0.07 0.04 4.15 -0.86 -2.94 115.11 115.81 3cik h GLN 9 Ca -0.00 -0.22 -0.15 0.00 0.77 0.00 0.00 58.65 59.05 3cik h GLN 9 Cb 0.47 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 3cik h GLN 9 CO 0.03 0.80 -0.61 1.49 -1.93 0.00 0.00 178.83 178.62 3cik h GLU 10 N 0.31 0.24 -0.61 1.69 4.81 -1.18 -3.11 114.58 116.73 3cik h GLU 10 Ca 0.01 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3cik h GLU 10 Cb 0.99 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 3cik h GLU 10 CO 0.09 0.78 0.33 0.00 -0.73 0.00 0.00 179.01 179.47 3cik h ALA 11 N 1.18 1.44 -0.00 2.92 0.00 0.06 -1.71 119.26 123.14 3cik h ALA 11 Ca -0.01 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3cik h ALA 11 Cb 1.11 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.67 3cik h ALA 11 CO 0.09 0.46 -0.40 0.93 0.00 0.00 0.00 179.25 180.34 3cik h GLU 12 N 0.84 0.28 -0.31 0.00 4.39 -1.57 -1.62 114.58 116.59 3cik h GLU 12 Ca 0.22 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.66 3cik h GLU 12 Cb 0.02 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3cik h GLU 12 CO -0.04 1.00 0.21 1.96 -1.16 0.00 0.00 179.01 180.98 3cik h GLN 13 N -0.33 0.24 0.14 2.33 4.20 -1.45 0.77 115.11 121.03 3cik h GLN 13 Ca -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3cik h GLN 13 Cb 1.13 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.86 3cik h GLN 13 CO 0.08 0.16 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.26 3cik h LEU 14 N 0.25 -0.16 -1.39 1.46 3.38 -1.36 -2.50 115.31 114.99 3cik h LEU 14 Ca 0.13 -0.38 0.24 0.00 0.09 0.00 0.00 57.88 57.95 3cik h LEU 14 Cb 0.21 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3cik h LEU 14 CO -0.03 0.40 0.64 0.11 0.09 0.00 0.00 178.44 179.65 3cik h LYS 15 N -0.83 0.42 0.65 1.13 1.57 -0.37 -1.95 116.57 117.18 3cik h LYS 15 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3cik h LYS 15 Cb 0.54 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.76 3cik h LYS 15 CO 0.03 0.28 -0.31 -0.91 -0.57 0.00 0.00 179.45 177.97 3cik h ASN 16 N 0.43 -0.74 -1.01 0.86 2.35 0.50 -2.15 115.58 115.82 3cik h ASN 16 Ca 0.55 -0.02 0.35 0.00 -0.55 0.00 0.00 56.30 56.64 3cik h ASN 16 Cb 1.33 0.19 -0.16 0.00 0.05 0.00 0.00 38.32 39.74 3cik h ASN 16 CO -0.26 -0.40 0.57 -0.61 -1.65 0.00 0.00 177.43 175.08 3cik h GLN 17 N -1.08 0.21 0.21 0.81 4.15 -0.93 0.31 115.11 118.79 3cik h GLN 17 Ca -0.09 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3cik h GLN 17 Cb 0.71 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.35 3cik h GLN 17 CO 0.15 0.14 -0.10 0.82 -1.93 0.00 0.00 178.83 177.91 3cik h ILE 18 N 0.22 0.87 -0.59 2.39 2.04 -1.31 0.28 117.51 121.42 3cik h ILE 18 Ca 0.77 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.95 3cik h ILE 18 Cb 1.87 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 39.18 3cik h ILE 18 CO -0.65 0.17 0.11 0.03 0.00 0.00 0.00 178.15 177.81 3cik h ARG 19 N -0.70 0.24 -0.36 2.37 3.08 -0.44 -0.82 114.38 117.76 3cik h ARG 19 Ca -0.03 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 3cik h ARG 19 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3cik h ARG 19 CO 0.05 0.16 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.53 3cik h ASP 20 N 0.24 0.74 -0.45 7.04 3.45 -0.40 0.15 116.42 127.20 3cik h ASP 20 Ca 0.31 -0.39 -0.03 0.00 0.43 0.00 0.00 57.03 57.35 3cik h ASP 20 Cb 0.45 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3cik h ASP 20 CO -0.40 0.96 0.16 0.00 -1.57 0.00 0.00 179.24 178.39 3cik h ALA 21 N 0.80 0.58 -0.29 3.45 0.00 -0.76 0.10 119.26 123.15 3cik h ALA 21 Ca 0.09 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3cik h ALA 21 Cb 0.66 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3cik h ALA 21 CO 0.04 0.21 0.01 0.00 0.00 0.00 0.00 179.25 179.52 3cik h ARG 22 N 0.58 0.10 -1.01 0.00 3.08 -0.98 -2.15 114.38 114.00 3cik h ARG 22 Ca 0.15 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.23 3cik h ARG 22 Cb 0.23 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 3cik h ARG 22 CO -0.01 0.06 0.66 0.87 -1.07 0.00 0.00 179.97 180.48 3cik h LYS 23 N 0.10 1.24 -0.59 0.04 1.57 -0.24 -2.01 116.57 116.67 3cik h LYS 23 Ca 0.14 -0.07 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 3cik h LYS 23 Cb 0.18 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3cik h LYS 23 CO -0.22 0.82 0.41 0.00 -0.57 0.00 0.00 179.45 179.89 3cik h ALA 24 N 1.41 2.38 0.00 3.86 0.00 -0.32 -1.16 119.26 125.43 3cik h ALA 24 Ca 0.40 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 3cik h ALA 24 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3cik h ALA 24 CO -0.13 -0.54 -0.92 0.00 0.00 0.00 0.00 179.25 177.66 3cik n ALA 26 N -2.30 4.12 0.24 0.00 0.00 -0.44 -4.56 120.51 117.56 3cik n ALA 26 Ca -0.03 -3.59 0.12 0.00 0.00 0.00 0.00 53.44 49.94 3cik n ALA 26 Cb 0.79 -3.58 0.03 0.00 0.00 0.00 0.00 19.45 16.69 3cik n ALA 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3cik n ASP 27 N 7.70 0.78 -3.64 0.00 5.75 -1.26 -4.96 116.55 120.92 3cik n ASP 27 Ca 0.50 0.23 -0.08 0.00 -0.01 0.00 0.00 54.79 55.43 3cik n ASP 27 Cb 0.41 0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 40.95 3cik n ASP 27 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cik s ALA 28 N -3.31 -0.97 0.14 2.12 0.00 -1.26 -5.17 121.76 113.30 3cik s ALA 28 Ca 0.01 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.55 3cik s ALA 28 Cb 0.11 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 3cik s ALA 28 CO 0.78 -1.00 -0.08 0.95 0.00 0.00 0.00 175.76 176.41 3cik s THR 29 N -3.52 3.39 0.34 0.00 -4.23 -1.26 -5.02 115.64 105.34 3cik s THR 29 Ca 0.14 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 3cik s THR 29 Cb -0.05 -2.63 0.30 0.00 1.34 0.00 0.00 72.50 71.46 3cik s THR 29 CO 0.09 0.01 1.90 0.25 -0.54 0.00 0.00 174.62 176.33 3cik h LEU 30 N 3.24 0.72 -1.11 4.79 5.85 -1.95 -0.73 115.31 126.12 3cik h LEU 30 Ca -0.48 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 3cik h LEU 30 Cb 1.18 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3cik h LEU 30 CO 0.54 0.42 -0.41 0.77 -0.34 0.00 0.00 178.44 179.42 3cik h SER 31 N 0.79 0.00 -0.11 1.25 4.64 -1.86 0.22 113.55 118.48 3cik h SER 31 Ca 0.39 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 3cik h SER 31 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3cik h SER 31 CO -0.16 0.41 -0.07 1.56 -0.87 0.00 0.00 176.83 177.70 3cik h GLN 32 N 0.00 0.25 -0.70 4.77 4.20 -1.66 -2.73 115.11 119.24 3cik h GLN 32 Ca -0.00 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3cik h GLN 32 Cb 0.80 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.54 3cik h GLN 32 CO 0.05 0.62 0.33 0.82 -0.67 0.00 0.00 178.83 179.98 3cik h ILE 33 N -0.12 1.23 -0.00 2.54 1.08 -0.41 -2.39 117.51 119.44 3cik h ILE 33 Ca 0.02 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3cik h ILE 33 Cb 0.55 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 3cik h ILE 33 CO 0.02 0.27 -0.03 0.35 -0.69 0.00 0.00 178.15 178.08 3cik n THR 34 N -4.43 0.00 -0.20 -0.27 -2.24 0.70 -4.36 114.28 103.48 3cik n THR 34 Ca 0.05 -0.05 0.15 0.00 -2.27 0.00 0.00 64.05 61.94 3cik n THR 34 Cb 0.14 -0.28 0.47 0.00 -2.10 0.00 0.00 70.33 68.56 3cik n THR 34 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3cik h ASN 35 N 0.43 0.46 1.27 3.42 -1.24 -1.09 -2.46 115.58 116.37 3cik h ASN 35 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.04 3cik h ASN 35 Cb 0.21 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.19 3cik h ASN 35 CO 0.00 0.23 -0.50 -1.13 -1.29 0.00 0.00 177.43 174.74 3cik h ASN 36 N 0.49 0.00 -4.17 1.15 -1.24 -1.81 -3.47 115.58 106.53 3cik h ASN 36 Ca 0.40 -0.06 -0.47 0.00 0.71 0.00 0.00 56.30 56.88 3cik h ASN 36 Cb 0.85 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.90 3cik h ASN 36 CO -0.15 0.03 0.37 0.27 -1.29 0.00 0.00 177.43 176.66 3cik s ILE 37 N -3.23 4.51 0.60 2.57 -4.36 -0.93 -5.00 121.20 115.36 3cik s ILE 37 Ca 0.05 1.26 -0.19 0.00 -0.26 0.00 0.00 60.65 61.51 3cik s ILE 37 Cb 0.10 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 40.07 3cik s ILE 37 CO 0.71 -0.63 1.16 0.47 0.24 0.00 0.00 174.94 176.90 3cik n ASP 38 N -1.42 1.62 -4.68 4.36 8.00 -1.26 -5.00 116.55 118.17 3cik n ASP 38 Ca 0.07 0.85 -0.29 0.00 0.71 0.00 0.00 54.79 56.13 3cik n ASP 38 Cb 0.54 -1.49 0.16 0.00 -0.02 0.00 0.00 41.12 40.32 3cik n ASP 38 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3cik s PRO 39 N -2.99 0.73 0.03 -0.24 0.02 -1.26 -4.95 135.00 126.34 3cik s PRO 39 Ca 0.77 0.72 0.27 0.00 0.02 0.00 0.00 61.00 62.78 3cik s PRO 39 Cb -0.41 -1.76 0.86 0.00 0.02 0.00 0.00 34.50 33.22 3cik s PRO 39 CO 0.45 -2.58 1.68 1.33 -0.33 0.00 0.00 177.00 177.55 3cik n VAL 40 N -4.10 0.07 -3.52 3.83 0.24 -1.26 -5.05 118.33 108.54 3cik n VAL 40 Ca 0.06 -0.04 0.02 0.00 -2.04 0.00 0.00 64.34 62.34 3cik n VAL 40 Cb 0.56 -0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.73 3cik n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cik n GLY 41 N 1.47 -1.71 3.60 7.63 0.00 -1.26 -4.75 105.19 110.17 3cik n GLY 41 Ca 0.06 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 3cik n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cik s ARG 42 N -0.37 3.80 -0.63 1.61 3.52 -1.26 -4.86 118.95 120.75 3cik s ARG 42 Ca 0.00 0.63 -0.23 0.00 -0.13 0.00 0.00 55.73 55.99 3cik s ARG 42 Cb 0.00 -3.85 0.06 0.00 -1.56 0.00 0.00 34.95 29.59 3cik s ARG 42 CO 0.00 -1.18 0.97 0.42 -0.81 0.00 0.00 175.30 174.70 3cik s ILE 43 N 4.01 4.31 -0.68 4.11 -1.09 -0.62 -4.99 121.20 126.26 3cik s ILE 43 Ca 0.44 -0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 58.71 3cik s ILE 43 Cb -0.09 -4.64 0.18 0.00 -1.58 0.00 0.00 42.46 36.32 3cik s ILE 43 CO 0.25 -1.36 0.53 -1.10 -1.23 0.00 0.00 174.94 172.03 3cik s GLN 44 N 4.11 2.81 0.26 2.79 -0.21 -1.26 -4.26 119.66 123.90 3cik s GLN 44 Ca 0.25 -2.59 -0.08 0.00 0.02 0.00 0.00 55.36 52.97 3cik s GLN 44 Cb -0.15 -3.87 -0.06 0.00 1.00 0.00 0.00 33.01 29.92 3cik s GLN 44 CO 0.13 -1.20 0.57 -1.64 -2.12 0.00 0.00 175.29 171.03 3cik s MET 45 N -0.14 3.74 0.19 2.91 -1.94 -1.26 -5.03 119.30 117.76 3cik s MET 45 Ca 0.18 0.20 0.07 0.00 -1.71 0.00 0.00 55.69 54.43 3cik s MET 45 Cb -0.18 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 3cik s MET 45 CO -0.05 0.25 -0.15 1.03 -0.01 0.00 0.00 175.02 176.10 3cik s ARG 46 N -3.15 1.27 -0.16 2.03 0.52 -0.35 -4.87 118.95 114.24 3cik s ARG 46 Ca 0.47 -1.52 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 3cik s ARG 46 Cb -0.11 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 3cik s ARG 46 CO 0.25 0.19 1.72 0.99 0.02 0.00 0.00 175.30 178.47 3cik s THR 47 N -2.77 3.54 -1.56 0.02 2.01 -1.26 -2.72 115.64 112.89 3cik s THR 47 Ca 0.20 0.62 0.19 0.00 0.31 0.00 0.00 61.69 63.00 3cik s THR 47 Cb -0.02 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 3cik s THR 47 CO 0.06 -0.19 0.93 0.54 -0.69 0.00 0.00 174.62 175.27 3cik n ARG 48 N 7.64 1.35 -3.64 4.92 5.12 0.62 -4.97 116.66 127.71 3cik n ARG 48 Ca 0.20 -0.71 -0.15 0.00 -1.93 0.00 0.00 57.85 55.26 3cik n ARG 48 Cb 0.44 -1.37 -0.08 0.00 -1.16 0.00 0.00 32.46 30.29 3cik n ARG 48 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3cik s ARG 49 N -2.30 0.79 -0.13 5.56 1.81 -1.19 -4.95 118.95 118.54 3cik s ARG 49 Ca 0.14 0.60 0.01 0.00 -1.72 0.00 0.00 55.73 54.76 3cik s ARG 49 Cb 0.15 0.38 -0.01 0.00 -0.45 0.00 0.00 34.95 35.02 3cik s ARG 49 CO 0.55 -0.15 -0.16 0.99 -0.68 0.00 0.00 175.30 175.84 3cik s THR 50 N -0.21 2.72 -0.30 0.02 2.01 -1.26 -1.99 115.64 116.63 3cik s THR 50 Ca -0.04 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.07 3cik s THR 50 Cb -0.03 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3cik s THR 50 CO 0.03 0.53 0.20 -0.76 -0.69 0.00 0.00 174.62 173.93 3cik s LEU 51 N 0.44 4.17 -0.02 4.42 1.43 0.52 -4.97 118.68 124.67 3cik s LEU 51 Ca -0.12 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3cik s LEU 51 Cb -0.16 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 3cik s LEU 51 CO 0.05 -0.12 -0.12 -0.13 0.23 0.00 0.00 176.35 176.26 3cik s ARG 52 N 1.73 2.44 0.00 1.70 0.52 -1.26 -2.65 118.95 121.43 3cik s ARG 52 Ca 0.07 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 3cik s ARG 52 Cb -0.16 -2.39 0.00 0.00 0.52 0.00 0.00 34.95 32.92 3cik s ARG 52 CO 0.10 0.60 0.00 0.41 0.02 0.00 0.00 175.30 176.43 3cik n GLY 53 N 1.92 1.87 3.75 -3.53 0.00 -1.26 -5.05 105.19 102.87 3cik n GLY 53 Ca -0.16 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 3cik n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cik s HIS 54 N 0.00 2.96 -2.16 1.61 3.76 -1.26 -4.91 115.29 115.29 3cik s HIS 54 Ca 0.00 0.96 0.18 0.00 -0.15 0.00 0.00 55.06 56.06 3cik s HIS 54 Cb 0.00 -3.88 0.52 0.00 1.11 0.00 0.00 32.58 30.33 3cik s HIS 54 CO 0.00 -2.89 1.42 1.28 -0.85 0.00 0.00 174.74 173.70 3cik n LEU 55 N 2.34 2.58 0.00 0.89 4.77 -1.26 -4.84 117.00 121.48 3cik n LEU 55 Ca 0.07 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 3cik n LEU 55 Cb 0.40 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3cik n LEU 55 CO 0.61 0.61 0.00 0.00 -1.33 0.00 0.00 177.39 177.28 3cik n ALA 56 N 0.91 0.00 -1.69 -1.18 0.00 -1.26 -4.91 120.51 112.38 3cik n ALA 56 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 3cik n ALA 56 Cb 0.44 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.91 3cik n ALA 56 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3cik n LYS 57 N 0.00 1.73 -3.68 0.00 5.02 -1.26 -4.04 118.16 115.93 3cik n LYS 57 Ca 0.00 0.62 -0.38 0.00 -2.02 0.00 0.00 58.31 56.54 3cik n LYS 57 Cb 0.00 -2.34 -0.06 0.00 -0.02 0.00 0.00 35.03 32.61 3cik n LYS 57 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3cik s ILE 58 N -1.25 5.26 -0.10 -0.18 1.01 -0.56 -1.13 121.20 124.24 3cik s ILE 58 Ca 0.64 0.54 0.08 0.00 0.00 0.00 0.00 60.65 61.91 3cik s ILE 58 Cb -0.49 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 3cik s ILE 58 CO 0.56 0.60 0.02 -1.22 0.00 0.00 0.00 174.94 174.89 3cik n TYR 59 N 1.92 0.00 -3.67 3.97 0.53 0.20 -4.13 117.16 115.98 3cik n TYR 59 Ca -0.17 0.00 -0.14 0.00 -1.02 0.00 0.00 57.90 56.57 3cik n TYR 59 Cb 0.54 -0.47 -0.07 0.00 -1.03 0.00 0.00 39.34 38.30 3cik n TYR 59 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3cik s ALA 60 N -2.23 -1.06 0.03 -0.72 0.00 -1.17 -4.50 121.76 112.11 3cik s ALA 60 Ca -0.06 0.49 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 3cik s ALA 60 Cb 0.03 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3cik s ALA 60 CO 0.38 -0.37 0.32 0.00 0.00 0.00 0.00 175.76 176.09 3cik s MET 61 N -1.86 0.80 -0.19 0.00 0.23 -1.26 -1.26 119.30 115.76 3cik s MET 61 Ca -0.09 -0.43 -0.07 0.00 -1.03 0.00 0.00 55.69 54.07 3cik s MET 61 Cb -0.02 0.35 0.09 0.00 -1.53 0.00 0.00 34.83 33.71 3cik s MET 61 CO 0.02 -0.25 0.41 -1.58 -2.03 0.00 0.00 175.02 171.58 3cik s HIS 62 N -2.31 -0.76 0.39 3.16 2.46 -0.60 -4.82 115.29 112.81 3cik s HIS 62 Ca -0.07 1.47 -0.27 0.00 0.47 0.00 0.00 55.06 56.67 3cik s HIS 62 Cb -0.02 0.28 -0.09 0.00 -0.13 0.00 0.00 32.58 32.62 3cik s HIS 62 CO -0.02 -0.47 1.33 -1.58 -2.47 0.00 0.00 174.74 171.54 3cik s TRP 63 N 2.55 2.80 0.59 3.88 0.52 -1.26 -1.86 118.94 126.16 3cik s TRP 63 Ca -0.02 1.38 -0.16 0.00 0.02 0.00 0.00 56.10 57.31 3cik s TRP 63 Cb -0.12 -3.73 -0.04 0.00 -1.15 0.00 0.00 33.47 28.44 3cik s TRP 63 CO -0.12 -2.21 1.07 0.20 0.02 0.00 0.00 176.95 175.91 3cik s GLY 64 N -0.62 2.20 0.65 0.98 0.00 -0.08 -4.80 107.32 105.66 3cik s GLY 64 Ca 0.56 0.47 0.40 0.00 0.00 0.00 0.00 44.72 46.15 3cik s GLY 64 CO 0.52 0.80 2.34 -0.91 0.00 0.00 0.00 173.10 175.84 3cik h THR 65 N 0.53 0.15 0.00 0.90 1.35 -1.87 -0.79 112.91 113.18 3cik h THR 65 Ca -0.47 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3cik h THR 65 Cb 1.23 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3cik h THR 65 CO 0.57 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.94 3cik n ASP 66 N -3.30 0.00 -1.98 5.36 3.85 -1.26 -4.76 116.55 114.46 3cik n ASP 66 Ca -0.03 -0.64 -0.19 0.00 -0.71 0.00 0.00 54.79 53.22 3cik n ASP 66 Cb 0.08 -0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.80 3cik n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3cik n SER 67 N -1.00 -5.23 0.07 -1.12 7.64 -0.30 -4.76 113.62 108.90 3cik n SER 67 Ca 0.16 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.29 3cik n SER 67 Cb 0.07 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 3cik n SER 67 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3cik n ARG 68 N -2.61 0.00 -2.85 1.43 0.63 -1.26 -4.97 116.66 107.02 3cik n ARG 68 Ca -0.21 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.43 3cik n ARG 68 Cb 0.65 -0.27 -0.02 0.00 0.45 0.00 0.00 32.46 33.27 3cik n ARG 68 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3cik s LEU 69 N -6.54 3.80 0.00 6.15 1.43 -1.26 -1.77 118.68 120.49 3cik s LEU 69 Ca 0.00 1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 3cik s LEU 69 Cb 0.00 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.33 3cik s LEU 69 CO 0.00 -0.43 0.34 -1.48 0.23 0.00 0.00 176.35 175.01 3cik s LEU 70 N -4.07 0.73 0.01 1.79 2.34 -1.10 -0.90 118.68 117.48 3cik s LEU 70 Ca 0.49 0.04 -0.02 0.00 0.06 0.00 0.00 54.13 54.70 3cik s LEU 70 Cb -0.10 1.40 -0.04 0.00 -0.56 0.00 0.00 46.19 46.89 3cik s LEU 70 CO 0.35 -0.52 0.18 -0.69 -1.06 0.00 0.00 176.35 174.61 3cik s VAL 71 N -1.75 5.35 -0.01 1.48 1.01 -0.78 -1.68 120.40 124.02 3cik s VAL 71 Ca -0.10 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3cik s VAL 71 Cb -0.03 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 3cik s VAL 71 CO 0.02 0.27 -0.11 -0.94 0.00 0.00 0.00 175.10 174.34 3cik s SER 72 N -2.08 1.33 -0.10 3.32 1.04 -0.16 -1.55 113.70 115.50 3cik s SER 72 Ca 0.29 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3cik s SER 72 Cb -0.13 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3cik s SER 72 CO 0.21 0.13 -0.11 0.00 0.98 0.00 0.00 173.24 174.45 3cik s ALA 73 N -0.21 2.77 0.03 5.32 0.00 -0.39 -1.62 121.76 127.67 3cik s ALA 73 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3cik s ALA 73 Cb -0.05 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3cik s ALA 73 CO -0.00 0.39 -0.04 0.45 0.00 0.00 0.00 175.76 176.56 3cik s SER 74 N -0.18 0.42 0.60 0.00 0.15 -1.08 -0.63 113.70 112.98 3cik s SER 74 Ca 0.01 -0.57 0.28 0.00 0.70 0.00 0.00 55.95 56.37 3cik s SER 74 Cb -0.13 0.10 1.40 0.00 -1.71 0.00 0.00 66.02 65.67 3cik s SER 74 CO 0.03 -0.31 1.80 -0.61 1.20 0.00 0.00 173.24 175.35 3cik h GLN 75 N 4.43 0.00 0.00 5.44 4.15 -1.40 -1.12 115.11 126.61 3cik h GLN 75 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3cik h GLN 75 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3cik h GLN 75 CO 0.44 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 176.94 3cik n ASP 76 N -3.55 0.00 0.00 -0.69 3.85 -1.26 -4.87 116.55 110.04 3cik n ASP 76 Ca 0.09 -1.08 0.00 0.00 -0.71 0.00 0.00 54.79 53.09 3cik n ASP 76 Cb 0.77 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.54 3cik n ASP 76 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cik n GLY 77 N 0.23 0.84 3.64 6.12 0.00 -0.42 -4.99 105.19 110.60 3cik n GLY 77 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3cik n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cik s LYS 78 N -0.19 2.30 -0.01 1.61 1.02 -1.25 -0.86 119.74 122.36 3cik s LYS 78 Ca 0.00 -1.27 -0.00 0.00 0.02 0.00 0.00 55.97 54.72 3cik s LYS 78 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 3cik s LYS 78 CO 0.00 0.41 0.06 -0.51 -0.92 0.00 0.00 175.35 174.39 3cik s LEU 79 N -3.26 3.81 -0.08 3.17 1.43 0.76 -2.63 118.68 121.88 3cik s LEU 79 Ca 0.29 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 3cik s LEU 79 Cb -0.08 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.95 3cik s LEU 79 CO 0.19 0.28 -0.17 -0.63 0.23 0.00 0.00 176.35 176.25 3cik s ILE 80 N -1.16 1.48 -0.25 -0.59 1.01 -0.64 0.12 121.20 121.18 3cik s ILE 80 Ca 0.22 -0.68 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 3cik s ILE 80 Cb -0.12 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3cik s ILE 80 CO 0.13 0.43 0.10 -0.63 0.00 0.00 0.00 174.94 174.97 3cik s ILE 81 N 0.54 4.62 0.09 2.92 1.01 -0.09 -0.99 121.20 129.31 3cik s ILE 81 Ca -0.16 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3cik s ILE 81 Cb -0.17 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3cik s ILE 81 CO 0.06 0.32 -0.00 0.26 0.00 0.00 0.00 174.94 175.58 3cik s TRP 82 N 1.56 2.99 -0.59 3.97 0.52 -0.68 0.22 118.94 126.94 3cik s TRP 82 Ca 0.06 -0.03 -0.15 0.00 0.02 0.00 0.00 56.10 56.00 3cik s TRP 82 Cb -0.15 -1.54 0.15 0.00 -1.15 0.00 0.00 33.47 30.78 3cik s TRP 82 CO 0.05 0.48 0.54 0.34 0.02 0.00 0.00 176.95 178.39 3cik s ASP 83 N -2.32 6.27 0.65 2.95 3.68 0.11 -2.71 116.67 125.30 3cik s ASP 83 Ca 0.26 -1.97 0.42 0.00 2.13 0.00 0.00 52.55 53.38 3cik s ASP 83 Cb -0.12 -2.20 2.25 0.00 -1.45 0.00 0.00 42.92 41.41 3cik s ASP 83 CO 0.18 -0.79 2.32 0.77 0.13 0.00 0.00 175.17 177.78 3cik h SER 84 N 8.65 0.00 0.21 -0.34 4.64 -1.63 0.49 113.55 125.56 3cik h SER 84 Ca -0.22 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.88 3cik h SER 84 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3cik h SER 84 CO 0.97 0.00 -0.89 1.88 -0.87 0.00 0.00 176.83 177.93 3cik h TYR 85 N 0.00 0.72 0.00 4.77 -1.99 -1.92 -3.37 116.97 115.19 3cik h TYR 85 Ca -0.00 -0.37 0.00 0.00 2.00 0.00 0.00 58.73 60.36 3cik h TYR 85 Cb 0.06 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.70 3cik h TYR 85 CO 0.00 1.18 -1.33 0.25 -0.00 0.00 0.00 178.16 178.26 3cik n THR 86 N -3.81 0.00 -0.26 -2.88 -2.24 -0.88 -5.01 114.28 99.20 3cik n THR 86 Ca -0.07 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3cik n THR 86 Cb 0.80 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 3cik n THR 86 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3cik n THR 87 N -1.77 0.00 -2.27 4.28 -1.04 0.17 -5.04 114.28 108.60 3cik n THR 87 Ca -0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.63 3cik n THR 87 Cb 0.26 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.76 3cik n THR 87 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3cik s ASN 88 N -3.21 6.24 -0.07 8.00 0.01 -1.21 -4.76 114.94 119.94 3cik s ASN 88 Ca 0.00 2.30 -0.30 0.00 -0.71 0.00 0.00 52.86 54.15 3cik s ASN 88 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3cik s ASN 88 CO 0.00 -0.87 1.03 -0.54 -1.51 0.00 0.00 177.10 175.21 3cik s LYS 89 N -2.64 4.45 0.03 -0.60 1.02 -1.26 0.07 119.74 120.81 3cik s LYS 89 Ca 0.62 1.45 -0.15 0.00 0.02 0.00 0.00 55.97 57.91 3cik s LYS 89 Cb -0.29 -3.52 -0.35 0.00 -0.52 0.00 0.00 37.83 33.15 3cik s LYS 89 CO 0.35 -0.27 1.01 0.28 -0.92 0.00 0.00 175.35 175.80 3cik h VAL 90 N 5.00 1.30 -2.54 3.17 2.07 -0.54 -3.47 116.25 121.24 3cik h VAL 90 Ca -0.34 -2.73 -0.09 0.00 0.82 0.00 0.00 66.70 64.36 3cik h VAL 90 Cb 1.17 3.04 -0.20 0.00 -1.52 0.00 0.00 31.29 33.78 3cik h VAL 90 CO 0.83 0.82 -0.06 -1.00 0.02 0.00 0.00 177.57 178.18 3cik s HIS 91 N -2.60 -0.43 -0.22 1.57 3.76 -0.99 -4.99 115.29 111.39 3cik s HIS 91 Ca -0.09 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 3cik s HIS 91 Cb 0.04 0.24 0.06 0.00 1.11 0.00 0.00 32.58 34.02 3cik s HIS 91 CO 0.94 -0.46 -0.05 0.00 -0.85 0.00 0.00 174.74 174.32 3cik s ALA 92 N -1.01 1.86 -0.41 -1.40 0.00 -1.26 -0.91 121.76 118.64 3cik s ALA 92 Ca -0.10 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.53 3cik s ALA 92 Cb -0.03 -1.37 0.08 0.00 0.00 0.00 0.00 23.12 21.80 3cik s ALA 92 CO 0.06 -1.10 0.24 0.42 0.00 0.00 0.00 175.76 175.38 3cik s ILE 93 N 1.45 4.09 0.05 0.00 1.01 0.12 -4.96 121.20 122.95 3cik s ILE 93 Ca -0.04 -1.43 -0.29 0.00 0.00 0.00 0.00 60.65 58.89 3cik s ILE 93 Cb -0.18 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 3cik s ILE 93 CO -0.07 -0.48 0.94 -2.84 0.00 0.00 0.00 174.94 172.49 3cik s PRO 94 N 1.40 4.61 0.31 2.79 0.02 -1.26 -0.17 135.00 142.69 3cik s PRO 94 Ca 0.03 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.42 3cik s PRO 94 Cb -0.23 -3.42 -0.04 0.00 0.02 0.00 0.00 34.50 30.84 3cik s PRO 94 CO 0.02 0.10 0.51 -0.51 -0.33 0.00 0.00 177.00 176.78 3cik s LEU 95 N 0.48 4.07 0.23 -5.54 1.43 -0.04 -4.98 118.68 114.33 3cik s LEU 95 Ca 0.48 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 3cik s LEU 95 Cb -0.22 -3.28 0.23 0.00 0.03 0.00 0.00 46.19 42.95 3cik s LEU 95 CO 0.28 -0.23 1.56 0.03 0.23 0.00 0.00 176.35 178.22 3cik h ARG 96 N 1.06 0.39 -5.41 1.70 3.08 -1.96 -3.43 114.38 109.82 3cik h ARG 96 Ca -0.49 -0.24 -0.65 0.00 0.07 0.00 0.00 59.98 58.66 3cik h ARG 96 Cb 1.21 0.02 -0.25 0.00 0.08 0.00 0.00 29.97 31.04 3cik h ARG 96 CO 0.63 0.83 -0.73 0.45 -1.07 0.00 0.00 179.97 180.07 3cik s SER 97 N -6.90 4.29 0.29 7.04 0.15 -1.26 -5.00 113.70 112.31 3cik s SER 97 Ca -0.06 -0.24 0.24 0.00 0.70 0.00 0.00 55.95 56.59 3cik s SER 97 Cb 0.12 -1.60 1.07 0.00 -1.71 0.00 0.00 66.02 63.90 3cik s SER 97 CO 0.81 0.19 1.72 -1.20 1.20 0.00 0.00 173.24 175.96 3cik n SER 98 N 3.39 0.68 -2.09 5.45 7.64 -1.26 -4.04 113.62 123.38 3cik n SER 98 Ca -0.18 0.70 -0.24 0.00 1.01 0.00 0.00 58.87 60.17 3cik n SER 98 Cb 0.53 -0.84 0.11 0.00 -1.01 0.00 0.00 64.21 63.00 3cik n SER 98 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3cik n TRP 99 N -2.29 2.59 -1.92 1.43 7.02 -1.26 -4.11 117.44 118.90 3cik n TRP 99 Ca 0.01 -2.12 -0.39 0.00 -1.02 0.00 0.00 57.50 53.99 3cik n TRP 99 Cb 0.18 -1.05 0.02 0.00 -2.42 0.00 0.00 31.31 28.04 3cik n TRP 99 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3cik s VAL 100 N -3.31 2.36 0.00 -0.99 0.11 -1.26 -2.62 120.40 114.69 3cik s VAL 100 Ca 0.50 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 3cik s VAL 100 Cb 0.41 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 3cik s VAL 100 CO 0.04 0.02 0.00 0.23 -3.33 0.00 0.00 175.10 172.06 3cik n MET 101 N -0.54 3.43 -3.54 1.54 2.81 0.43 -4.67 117.12 116.58 3cik n MET 101 Ca 0.07 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.84 3cik n MET 101 Cb 0.45 -0.66 -0.04 0.00 -0.71 0.00 0.00 33.22 32.26 3cik n MET 101 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3cik s THR 102 N -1.22 0.03 -0.03 2.03 -1.32 -1.00 -4.43 115.64 109.71 3cik s THR 102 Ca 0.00 -0.28 -0.24 0.00 -1.21 0.00 0.00 61.69 59.96 3cik s THR 102 Cb 0.00 -1.05 0.05 0.00 -1.51 0.00 0.00 72.50 69.99 3cik s THR 102 CO 0.00 -0.15 0.53 0.00 -2.21 0.00 0.00 174.62 172.78 3cik s ALA 104 N -1.33 -0.10 -0.15 0.00 0.00 0.15 -4.60 121.76 115.72 3cik s ALA 104 Ca -0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 3cik s ALA 104 Cb -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3cik s ALA 104 CO 0.07 -0.17 -0.06 -0.47 0.00 0.00 0.00 175.76 175.13 3cik s TYR 105 N -1.26 2.97 0.31 0.00 6.14 -1.26 -0.40 117.35 123.85 3cik s TYR 105 Ca -0.14 -0.37 -0.28 0.00 0.64 0.00 0.00 57.07 56.92 3cik s TYR 105 Cb -0.08 -1.93 -0.09 0.00 0.42 0.00 0.00 41.96 40.28 3cik s TYR 105 CO 0.00 -0.07 1.11 0.00 0.64 0.00 0.00 175.55 177.23 3cik s ALA 106 N 0.33 3.33 0.39 3.97 0.00 0.08 -4.70 121.76 125.17 3cik s ALA 106 Ca -0.06 0.89 0.22 0.00 0.00 0.00 0.00 51.96 53.01 3cik s ALA 106 Cb -0.15 -3.33 1.31 0.00 0.00 0.00 0.00 23.12 20.95 3cik s ALA 106 CO 0.04 -0.22 1.61 -1.35 0.00 0.00 0.00 175.76 175.84 3cik h PRO 107 N 3.47 0.11 -0.06 0.00 0.11 -1.90 0.11 132.00 133.85 3cik h PRO 107 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3cik h PRO 107 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3cik h PRO 107 CO 0.66 0.07 -0.26 0.66 -0.21 0.00 0.00 178.00 178.92 3cik h SER 108 N 0.11 0.09 0.00 -2.05 4.64 -1.94 -3.43 113.55 110.98 3cik h SER 108 Ca 0.81 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 62.11 3cik h SER 108 Cb 2.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 64.28 3cik h SER 108 CO -0.61 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 3cik n GLY 109 N -0.69 1.83 0.09 -0.77 0.00 0.40 -4.92 105.19 101.12 3cik n GLY 109 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3cik n GLY 109 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cik n ASN 110 N 0.00 0.60 -3.84 1.61 3.02 -1.26 -4.86 115.26 110.53 3cik n ASN 110 Ca 0.00 0.59 -0.12 0.00 -0.03 0.00 0.00 54.58 55.03 3cik n ASN 110 Cb 0.00 -0.74 -0.10 0.00 -0.61 0.00 0.00 39.78 38.33 3cik n ASN 110 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3cik s TYR 111 N -3.16 -0.04 0.18 3.10 2.02 -1.26 -0.63 117.35 117.55 3cik s TYR 111 Ca 0.08 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.88 3cik s TYR 111 Cb 0.12 -0.00 -0.05 0.00 -0.40 0.00 0.00 41.96 41.63 3cik s TYR 111 CO 0.49 -0.27 -0.10 0.14 -1.57 0.00 0.00 175.55 174.23 3cik s VAL 112 N -1.11 1.34 0.07 0.71 -7.23 -0.77 -0.74 120.40 112.67 3cik s VAL 112 Ca -0.12 -2.10 0.03 0.00 -1.81 0.00 0.00 61.98 57.97 3cik s VAL 112 Cb -0.06 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3cik s VAL 112 CO 0.02 -0.65 -0.09 0.00 -0.31 0.00 0.00 175.10 174.07 3cik s ALA 113 N -3.22 0.87 0.16 1.32 0.00 0.47 0.21 121.76 121.56 3cik s ALA 113 Ca 0.20 -1.05 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 3cik s ALA 113 Cb 0.02 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.26 3cik s ALA 113 CO 0.03 -0.07 0.93 0.00 0.00 0.00 0.00 175.76 176.65 3cik n GLY 115 N -0.46 -2.05 0.00 0.00 0.00 -0.94 -0.71 105.19 101.03 3cik n GLY 115 Ca -0.06 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3cik n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cik n GLY 116 N -0.50 1.15 0.21 -0.02 0.00 -1.26 -0.43 105.19 104.35 3cik n GLY 116 Ca 0.00 0.30 0.15 0.00 0.00 0.00 0.00 46.02 46.46 3cik n GLY 116 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cik h LEU 117 N 0.00 0.00 -1.96 0.99 3.38 -1.80 0.31 115.31 116.23 3cik h LEU 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cik h LEU 117 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3cik h LEU 117 CO 0.00 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.29 3cik h ASP 118 N 0.00 0.00 -0.66 -0.43 2.03 -1.94 -3.46 116.42 111.96 3cik h ASP 118 Ca 0.00 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.03 3cik h ASP 118 Cb 0.13 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.53 3cik h ASP 118 CO 0.00 0.00 -0.25 0.59 -1.03 0.00 0.00 179.24 178.55 3cik n ASN 119 N -2.63 -4.57 -3.88 4.15 3.02 0.11 -4.98 115.26 106.47 3cik n ASN 119 Ca -0.02 0.32 -0.28 0.00 -0.03 0.00 0.00 54.58 54.58 3cik n ASN 119 Cb 0.09 -3.25 -0.17 0.00 -0.61 0.00 0.00 39.78 35.84 3cik n ASN 119 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cik s ILE 120 N -2.49 1.04 -0.15 2.41 1.01 -1.26 -4.33 121.20 117.43 3cik s ILE 120 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.82 3cik s ILE 120 Cb 0.00 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 3cik s ILE 120 CO 0.00 0.16 1.28 0.00 0.00 0.00 0.00 174.94 176.38 3cik s SER 122 N 2.01 3.53 -0.14 0.00 0.01 0.12 -0.26 113.70 118.96 3cik s SER 122 Ca 0.56 -0.54 -0.12 0.00 1.31 0.00 0.00 55.95 57.17 3cik s SER 122 Cb -0.23 -1.56 -0.05 0.00 0.21 0.00 0.00 66.02 64.40 3cik s SER 122 CO 0.16 0.03 0.23 -0.63 0.41 0.00 0.00 173.24 173.45 3cik s ILE 123 N 1.14 5.34 -0.13 1.44 -1.09 0.07 -2.04 121.20 125.93 3cik s ILE 123 Ca 0.01 0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.86 3cik s ILE 123 Cb -0.14 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3cik s ILE 123 CO -0.06 0.47 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.66 3cik s TYR 124 N -0.03 2.76 -0.31 3.97 1.51 0.13 -1.75 117.35 123.64 3cik s TYR 124 Ca 0.15 -0.82 -0.22 0.00 -1.01 0.00 0.00 57.07 55.17 3cik s TYR 124 Cb -0.13 -1.84 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 3cik s TYR 124 CO 0.03 -0.32 0.71 1.21 -1.11 0.00 0.00 175.55 176.08 3cik s ASN 125 N 0.48 6.58 0.00 2.29 3.04 -0.34 -1.84 114.94 125.16 3cik s ASN 125 Ca -0.11 0.54 0.25 0.00 0.04 0.00 0.00 52.86 53.58 3cik s ASN 125 Cb -0.16 -2.37 0.43 0.00 -1.54 0.00 0.00 41.25 37.61 3cik s ASN 125 CO 0.05 -0.56 1.36 0.18 -3.04 0.00 0.00 177.10 175.09 3cik n LEU 126 N 6.06 0.70 -3.19 3.21 4.77 0.19 -3.33 117.00 125.41 3cik n LEU 126 Ca 0.02 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 3cik n LEU 126 Cb 0.48 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 3cik n LEU 126 CO 0.48 0.16 -0.28 0.29 -1.33 0.00 0.00 177.39 176.71 3cik n LYS 127 N -1.32 0.78 -0.94 3.23 4.76 -1.26 -4.85 118.16 118.56 3cik n LYS 127 Ca 0.06 -3.25 -0.30 0.00 -2.87 0.00 0.00 58.31 51.96 3cik n LYS 127 Cb 0.34 -1.34 0.23 0.00 -1.84 0.00 0.00 35.03 32.42 3cik n LYS 127 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3cik s THR 128 N -1.49 1.69 0.17 -0.18 -4.23 -1.23 -4.87 115.64 105.50 3cik s THR 128 Ca 0.36 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 61.22 3cik s THR 128 Cb 0.22 -2.38 0.39 0.00 1.34 0.00 0.00 72.50 72.07 3cik s THR 128 CO -0.10 0.00 2.02 0.03 -0.54 0.00 0.00 174.62 176.03 3cik h ARG 129 N -2.56 0.00 -0.28 3.99 3.08 -1.99 -2.94 114.38 113.68 3cik h ARG 129 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3cik h ARG 129 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3cik h ARG 129 CO 0.41 0.01 0.00 0.39 -1.07 0.00 0.00 179.97 179.71 3cik n GLU 130 N -3.11 2.92 -2.04 0.04 1.02 -1.26 -4.98 120.64 113.22 3cik n GLU 130 Ca 0.00 -2.63 -0.19 0.00 -0.02 0.00 0.00 57.16 54.31 3cik n GLU 130 Cb 0.28 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 3cik n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cik n GLY 131 N -0.24 0.51 3.70 0.62 0.00 -1.11 -4.99 105.19 103.68 3cik n GLY 131 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3cik n GLY 131 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cik s ASN 132 N -2.30 4.43 -0.31 1.61 0.01 -1.26 -4.82 114.94 112.30 3cik s ASN 132 Ca 0.00 -0.95 -0.08 0.00 -0.71 0.00 0.00 52.86 51.12 3cik s ASN 132 Cb 0.00 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 41.08 3cik s ASN 132 CO 0.00 -0.36 0.12 -0.69 -1.51 0.00 0.00 177.10 174.66 3cik s VAL 133 N -2.51 4.31 0.06 1.60 1.01 -1.26 -3.48 120.40 120.12 3cik s VAL 133 Ca 0.38 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 3cik s VAL 133 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 3cik s VAL 133 CO 0.22 0.06 0.06 -0.13 0.00 0.00 0.00 175.10 175.31 3cik s ARG 134 N 1.56 0.69 -0.28 2.72 0.52 -1.21 -4.99 118.95 117.95 3cik s ARG 134 Ca 0.04 -1.06 -0.29 0.00 -0.52 0.00 0.00 55.73 53.89 3cik s ARG 134 Cb -0.17 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.56 3cik s ARG 134 CO 0.04 -0.17 1.20 0.08 0.02 0.00 0.00 175.30 176.47 3cik s VAL 135 N -3.70 4.33 -0.60 3.52 1.01 -1.26 -1.20 120.40 122.50 3cik s VAL 135 Ca 0.04 1.54 0.24 0.00 0.00 0.00 0.00 61.98 63.81 3cik s VAL 135 Cb 0.05 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.22 3cik s VAL 135 CO -0.10 -0.40 1.26 0.77 0.00 0.00 0.00 175.10 176.63 3cik h SER 136 N 8.55 0.00 -2.55 3.32 4.64 -1.69 -3.48 113.55 122.35 3cik h SER 136 Ca -0.24 -0.21 0.13 0.00 -0.47 0.00 0.00 61.79 61.00 3cik h SER 136 Cb 1.08 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.89 3cik h SER 136 CO 1.02 0.11 0.51 -0.60 -0.87 0.00 0.00 176.83 176.99 3cik s ARG 137 N -3.19 0.32 -0.32 4.77 6.06 -1.22 -5.01 118.95 120.36 3cik s ARG 137 Ca 0.05 0.49 -0.08 0.00 -2.50 0.00 0.00 55.73 53.70 3cik s ARG 137 Cb 0.13 0.09 0.02 0.00 0.06 0.00 0.00 34.95 35.25 3cik s ARG 137 CO 0.74 -0.06 0.11 -1.21 -2.50 0.00 0.00 175.30 172.38 3cik s GLU 138 N 0.95 2.97 -0.69 5.12 2.02 -1.26 -0.75 118.70 127.06 3cik s GLU 138 Ca -0.05 -0.95 -0.21 0.00 0.02 0.00 0.00 54.97 53.78 3cik s GLU 138 Cb -0.04 -3.47 0.09 0.00 0.10 0.00 0.00 34.13 30.82 3cik s GLU 138 CO -0.12 -0.53 0.93 -0.51 0.02 0.00 0.00 175.26 175.05 3cik s LEU 139 N 1.50 4.76 0.36 1.80 1.43 0.64 -4.98 118.68 124.18 3cik s LEU 139 Ca 0.02 -1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 51.81 3cik s LEU 139 Cb -0.18 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3cik s LEU 139 CO 0.04 -1.29 0.59 0.00 0.23 0.00 0.00 176.35 175.92 3cik s ALA 140 N 3.47 3.63 0.00 4.21 0.00 -1.26 -3.06 121.76 128.74 3cik s ALA 140 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3cik s ALA 140 Cb -0.16 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.73 3cik s ALA 140 CO 0.06 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3cik n GLY 141 N -1.73 3.69 3.77 0.00 0.00 -1.26 -4.87 105.19 104.78 3cik n GLY 141 Ca -0.03 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3cik n GLY 141 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cik s HIS 142 N 0.00 2.73 -0.88 1.61 3.76 -1.26 -4.91 115.29 116.34 3cik s HIS 142 Ca 0.00 1.35 0.17 0.00 -0.15 0.00 0.00 55.06 56.43 3cik s HIS 142 Cb 0.00 -3.76 0.63 0.00 1.11 0.00 0.00 32.58 30.56 3cik s HIS 142 CO 0.00 -2.36 1.55 0.25 -0.85 0.00 0.00 174.74 173.33 3cik n THR 143 N 0.13 1.85 -4.03 1.30 -2.24 -1.26 -4.91 114.28 105.12 3cik n THR 143 Ca 0.03 -1.30 -0.11 0.00 -2.27 0.00 0.00 64.05 60.40 3cik n THR 143 Cb 0.43 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 3cik n THR 143 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3cik s GLY 144 N -1.10 0.90 0.45 3.38 0.00 -1.26 -4.78 107.32 104.91 3cik s GLY 144 Ca 0.46 -1.14 -0.24 0.00 0.00 0.00 0.00 44.72 43.80 3cik s GLY 144 CO 0.20 -0.78 1.24 -2.52 0.00 0.00 0.00 173.10 171.24 3cik s TYR 145 N -3.59 2.80 -0.13 1.90 -0.85 -1.26 -4.43 117.35 111.79 3cik s TYR 145 Ca 0.26 1.48 -0.29 0.00 -0.52 0.00 0.00 57.07 57.99 3cik s TYR 145 Cb -0.00 -3.53 -0.03 0.00 0.38 0.00 0.00 41.96 38.77 3cik s TYR 145 CO 0.13 -1.86 1.41 -1.17 -1.52 0.00 0.00 175.55 172.54 3cik s LEU 146 N -2.83 4.21 -0.07 -3.49 2.96 -0.94 -0.88 118.68 117.64 3cik s LEU 146 Ca 0.62 1.86 0.19 0.00 -0.22 0.00 0.00 54.13 56.58 3cik s LEU 146 Cb -0.34 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.56 3cik s LEU 146 CO 0.42 -0.84 0.40 -1.54 -1.32 0.00 0.00 176.35 173.47 3cik n SER 147 N 6.87 0.19 -3.60 3.68 3.41 -0.19 -4.23 113.62 119.76 3cik n SER 147 Ca 0.15 0.08 -0.06 0.00 -0.26 0.00 0.00 58.87 58.79 3cik n SER 147 Cb 0.44 1.20 -0.04 0.00 -0.26 0.00 0.00 64.21 65.55 3cik n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cik s ARG 150 N -1.53 0.25 0.44 0.00 1.81 -0.71 -4.52 118.95 114.69 3cik s ARG 150 Ca -0.10 0.52 -0.22 0.00 -1.72 0.00 0.00 55.73 54.21 3cik s ARG 150 Cb -0.01 -0.04 -0.09 0.00 -0.45 0.00 0.00 34.95 34.36 3cik s ARG 150 CO 0.06 -0.13 1.05 -0.06 -0.68 0.00 0.00 175.30 175.54 3cik s PHE 151 N 1.00 3.14 -0.15 -0.53 0.40 -1.26 -1.47 117.98 119.10 3cik s PHE 151 Ca -0.07 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 3cik s PHE 151 Cb -0.08 -3.10 -0.23 0.00 0.51 0.00 0.00 43.02 40.12 3cik s PHE 151 CO -0.07 -0.73 0.22 1.28 0.70 0.00 0.00 175.22 176.62 3cik n LEU 152 N -0.48 2.28 0.00 -0.37 4.77 -0.04 -4.83 117.00 118.34 3cik n LEU 152 Ca 0.07 0.12 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 3cik n LEU 152 Cb 0.51 -0.76 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3cik n LEU 152 CO 0.43 0.79 0.27 -0.90 -1.33 0.00 0.00 177.39 176.64 3cik n ASP 153 N -3.30 -0.93 0.24 -1.43 3.85 -1.21 -4.90 116.55 108.87 3cik n ASP 153 Ca -0.34 -1.61 0.07 0.00 -0.71 0.00 0.00 54.79 52.20 3cik n ASP 153 Cb 1.04 1.54 0.59 0.00 -1.35 0.00 0.00 41.12 42.94 3cik n ASP 153 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3cik h ASP 154 N 0.86 0.02 -0.32 -1.12 3.45 -1.99 -3.09 116.42 114.23 3cik h ASP 154 Ca -0.14 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.32 3cik h ASP 154 Cb 0.53 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3cik h ASP 154 CO 0.18 0.07 0.00 -3.20 -1.57 0.00 0.00 179.24 174.72 3cik n ASN 155 N -4.46 3.56 -3.77 6.45 5.15 -1.26 -4.91 115.26 116.02 3cik n ASN 155 Ca -0.03 -2.58 -0.13 0.00 -0.60 0.00 0.00 54.58 51.25 3cik n ASN 155 Cb 0.14 -0.42 -0.12 0.00 -0.53 0.00 0.00 39.78 38.85 3cik n ASN 155 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3cik s GLN 156 N -2.04 0.23 -0.07 1.20 -0.21 -1.17 -1.47 119.66 116.14 3cik s GLN 156 Ca 0.35 0.39 -0.11 0.00 0.02 0.00 0.00 55.36 56.00 3cik s GLN 156 Cb 0.25 0.03 0.02 0.00 1.00 0.00 0.00 33.01 34.31 3cik s GLN 156 CO 0.12 -0.08 0.28 -1.50 -2.12 0.00 0.00 175.29 171.99 3cik s ILE 157 N 0.56 0.03 -0.10 1.08 2.07 -1.22 -0.86 121.20 122.76 3cik s ILE 157 Ca -0.04 -0.24 -0.03 0.00 -1.41 0.00 0.00 60.65 58.93 3cik s ILE 157 Cb -0.05 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3cik s ILE 157 CO -0.03 -0.13 0.02 -0.69 -1.91 0.00 0.00 174.94 172.20 3cik s VAL 158 N -0.51 4.50 0.09 4.00 1.01 -0.54 -0.68 120.40 128.26 3cik s VAL 158 Ca -0.06 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 61.83 3cik s VAL 158 Cb -0.04 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3cik s VAL 158 CO 0.02 0.59 -0.20 0.42 0.00 0.00 0.00 175.10 175.93 3cik s THR 159 N -0.74 1.65 0.07 3.92 -4.23 0.10 -1.75 115.64 114.67 3cik s THR 159 Ca 0.12 -1.44 0.08 0.00 -1.18 0.00 0.00 61.69 59.27 3cik s THR 159 Cb -0.12 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 3cik s THR 159 CO 0.02 -0.01 -0.18 -0.94 -0.54 0.00 0.00 174.62 172.98 3cik s SER 160 N -1.71 3.86 0.14 3.99 1.04 -0.03 -0.83 113.70 120.15 3cik s SER 160 Ca 0.06 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.04 3cik s SER 160 Cb -0.10 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.38 3cik s SER 160 CO 0.03 0.23 -0.01 -0.55 0.98 0.00 0.00 173.24 173.92 3cik s SER 161 N -1.69 0.97 0.00 7.02 0.15 -0.83 -1.02 113.70 118.30 3cik s SER 161 Ca 0.16 -1.12 0.29 0.00 0.70 0.00 0.00 55.95 55.97 3cik s SER 161 Cb -0.11 0.15 1.21 0.00 -1.71 0.00 0.00 66.02 65.56 3cik s SER 161 CO 0.07 -0.57 1.85 0.61 1.20 0.00 0.00 173.24 176.40 3cik n GLY 162 N -0.13 -0.98 0.00 9.45 0.00 -0.06 -1.53 105.19 111.93 3cik n GLY 162 Ca -0.08 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.76 3cik n GLY 162 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cik n ASP 163 N -1.00 0.00 0.00 1.61 5.68 -1.26 -4.33 116.55 117.24 3cik n ASP 163 Ca 0.14 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 3cik n ASP 163 Cb 0.28 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3cik n ASP 163 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3cik n THR 164 N -1.40 0.00 -4.02 2.12 -2.24 -1.15 -4.95 114.28 102.65 3cik n THR 164 Ca 0.06 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 3cik n THR 164 Cb 0.16 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 3cik n THR 164 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cik s THR 165 N -2.77 4.90 0.42 4.28 -4.23 -1.26 -4.08 115.64 112.91 3cik s THR 165 Ca 0.00 -0.95 0.07 0.00 -1.18 0.00 0.00 61.69 59.64 3cik s THR 165 Cb 0.00 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 3cik s THR 165 CO 0.00 -0.15 0.25 0.00 -0.54 0.00 0.00 174.62 174.18 3cik s ALA 167 N -2.57 -1.77 -0.11 0.00 0.00 -0.01 -0.97 121.76 116.32 3cik s ALA 167 Ca 0.43 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.84 3cik s ALA 167 Cb 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3cik s ALA 167 CO 0.24 -0.36 -0.05 -1.17 0.00 0.00 0.00 175.76 174.42 3cik s LEU 168 N -0.86 3.24 0.12 0.00 2.96 -0.21 0.01 118.68 123.93 3cik s LEU 168 Ca -0.09 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.85 3cik s LEU 168 Cb -0.01 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3cik s LEU 168 CO 0.08 0.27 -0.16 0.26 -1.32 0.00 0.00 176.35 175.48 3cik s TRP 169 N -0.27 2.58 -0.40 5.38 0.52 0.15 -0.68 118.94 126.21 3cik s TRP 169 Ca 0.04 -0.24 -0.16 0.00 0.02 0.00 0.00 56.10 55.76 3cik s TRP 169 Cb -0.13 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.85 3cik s TRP 169 CO 0.02 0.40 0.39 0.34 0.02 0.00 0.00 176.95 178.13 3cik s ASP 170 N -2.20 6.17 0.15 2.95 -1.08 -0.80 -3.44 116.67 118.41 3cik s ASP 170 Ca 0.19 -0.65 -0.15 0.00 -0.52 0.00 0.00 52.55 51.43 3cik s ASP 170 Cb -0.11 -2.20 0.02 0.00 -1.46 0.00 0.00 42.92 39.17 3cik s ASP 170 CO 0.11 -0.50 1.70 0.40 0.52 0.00 0.00 175.17 177.39 3cik h ILE 171 N 5.67 1.21 -0.55 4.11 2.04 -1.57 0.41 117.51 128.81 3cik h ILE 171 Ca -0.27 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 64.95 3cik h ILE 171 Cb 1.12 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3cik h ILE 171 CO 0.76 0.24 0.35 -0.08 0.00 0.00 0.00 178.15 179.42 3cik h GLU 172 N 0.61 0.74 0.00 2.37 4.57 -1.94 -2.54 114.58 118.39 3cik h GLU 172 Ca 0.15 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3cik h GLU 172 Cb 0.19 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3cik h GLU 172 CO -0.01 0.51 -0.56 1.79 -1.18 0.00 0.00 179.01 179.56 3cik h THR 173 N 0.75 0.02 -0.24 0.32 1.35 -1.94 -3.48 112.91 109.70 3cik h THR 173 Ca 0.20 -1.03 -0.10 0.00 -0.55 0.00 0.00 66.41 64.93 3cik h THR 173 Cb -0.05 1.74 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 3cik h THR 173 CO -0.04 0.01 -0.09 0.61 -0.25 0.00 0.00 175.52 175.76 3cik n GLY 174 N 1.15 0.76 3.60 5.82 0.00 0.14 -5.03 105.19 111.63 3cik n GLY 174 Ca 0.02 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3cik n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cik s GLN 175 N -2.19 2.46 -0.32 1.61 -1.52 -1.16 -4.65 119.66 113.88 3cik s GLN 175 Ca 0.00 -0.80 -0.28 0.00 -1.95 0.00 0.00 55.36 52.33 3cik s GLN 175 Cb 0.00 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 30.29 3cik s GLN 175 CO 0.00 0.58 2.07 -0.65 -0.25 0.00 0.00 175.29 177.04 3cik s GLN 176 N -1.65 3.02 0.08 2.91 -0.21 -1.26 -1.90 119.66 120.65 3cik s GLN 176 Ca 0.19 1.64 -0.32 0.00 0.02 0.00 0.00 55.36 56.88 3cik s GLN 176 Cb -0.11 -4.34 -0.17 0.00 1.00 0.00 0.00 33.01 29.39 3cik s GLN 176 CO 0.10 -2.23 1.62 1.15 -2.12 0.00 0.00 175.29 173.81 3cik h THR 177 N 7.09 0.30 -3.94 -0.19 2.02 -1.22 -3.45 112.91 113.53 3cik h THR 177 Ca -0.35 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.37 3cik h THR 177 Cb 1.21 0.30 -0.30 0.00 -1.74 0.00 0.00 68.15 67.62 3cik h THR 177 CO 1.03 0.00 -0.80 -0.89 0.37 0.00 0.00 175.52 175.23 3cik s THR 178 N -6.03 0.96 -0.10 3.16 2.01 -1.09 -5.01 115.64 109.54 3cik s THR 178 Ca -0.17 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 3cik s THR 178 Cb 0.04 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 3cik s THR 178 CO 0.62 0.29 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.94 3cik s THR 179 N 0.01 4.25 -0.66 -0.82 2.01 -1.26 -1.05 115.64 118.12 3cik s THR 179 Ca -0.01 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.70 3cik s THR 179 Cb -0.08 -2.80 0.17 0.00 0.01 0.00 0.00 72.50 69.81 3cik s THR 179 CO 0.00 0.59 0.49 -0.36 -0.69 0.00 0.00 174.62 174.65 3cik s PHE 180 N -0.70 3.45 0.19 4.92 0.40 -0.15 -4.84 117.98 121.25 3cik s PHE 180 Ca 0.11 -2.74 -0.10 0.00 -0.60 0.00 0.00 56.93 53.60 3cik s PHE 180 Cb -0.12 -3.21 -0.07 0.00 0.51 0.00 0.00 43.02 40.13 3cik s PHE 180 CO 0.02 -0.83 0.51 0.95 0.70 0.00 0.00 175.22 176.57 3cik s THR 181 N -0.23 4.97 0.00 0.64 -4.23 -1.26 -2.47 115.64 113.07 3cik s THR 181 Ca 0.18 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 3cik s THR 181 Cb -0.19 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3cik s THR 181 CO -0.04 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3cik n GLY 182 N 0.17 2.65 3.77 3.99 0.00 -1.26 -4.79 105.19 109.71 3cik n GLY 182 Ca -0.02 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 3cik n GLY 182 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cik s HIS 183 N 0.00 2.55 -1.06 1.61 3.76 -1.26 -4.92 115.29 115.97 3cik s HIS 183 Ca 0.00 1.29 0.16 0.00 -0.15 0.00 0.00 55.06 56.36 3cik s HIS 183 Cb 0.00 -3.87 0.51 0.00 1.11 0.00 0.00 32.58 30.34 3cik s HIS 183 CO 0.00 -2.75 1.43 0.25 -0.85 0.00 0.00 174.74 172.83 3cik n THR 184 N -0.09 1.42 -3.97 1.30 -2.24 -1.26 -4.82 114.28 104.61 3cik n THR 184 Ca 0.05 -1.18 -0.09 0.00 -2.27 0.00 0.00 64.05 60.55 3cik n THR 184 Cb 0.42 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 3cik n THR 184 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3cik s GLY 185 N -1.12 0.43 -0.29 3.38 0.00 -1.26 -4.87 107.32 103.58 3cik s GLY 185 Ca 0.38 -0.78 -0.41 0.00 0.00 0.00 0.00 44.72 43.91 3cik s GLY 185 CO 0.20 -0.54 1.66 1.22 0.00 0.00 0.00 173.10 175.64 3cik n ASP 186 N -0.39 1.98 -4.75 1.64 9.92 -1.26 -4.25 116.55 119.44 3cik n ASP 186 Ca -0.02 1.11 -0.40 0.00 -0.53 0.00 0.00 54.79 54.94 3cik n ASP 186 Cb 0.61 -1.08 -0.06 0.00 -0.64 0.00 0.00 41.12 39.96 3cik n ASP 186 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3cik s VAL 187 N 3.07 4.03 0.00 2.53 1.01 -0.58 0.51 120.40 130.97 3cik s VAL 187 Ca 0.99 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.95 3cik s VAL 187 Cb -1.17 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 30.95 3cik s VAL 187 CO 0.68 0.45 0.00 0.23 0.00 0.00 0.00 175.10 176.46 3cik n MET 188 N 1.62 2.80 -3.88 2.72 0.00 -0.43 -4.13 117.12 115.83 3cik n MET 188 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.60 3cik n MET 188 Cb 0.47 -0.96 -0.08 0.00 0.00 0.00 0.00 33.22 32.65 3cik n MET 188 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 3cik s SER 189 N -3.10 0.13 0.06 7.83 0.01 -1.09 -4.41 113.70 113.13 3cik s SER 189 Ca 0.00 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.69 3cik s SER 189 Cb 0.00 0.31 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 3cik s SER 189 CO 0.00 -0.65 -0.06 -1.48 0.41 0.00 0.00 173.24 171.46 3cik s LEU 190 N -2.58 2.36 -0.00 2.44 0.05 -1.26 -1.24 118.68 118.44 3cik s LEU 190 Ca 0.01 -0.73 0.00 0.00 0.05 0.00 0.00 54.13 53.46 3cik s LEU 190 Cb 0.03 -0.05 0.00 0.00 -2.05 0.00 0.00 46.19 44.12 3cik s LEU 190 CO -0.08 -0.34 -0.00 -0.55 -0.55 0.00 0.00 176.35 174.82 3cik s SER 191 N -2.16 0.05 0.07 1.48 0.15 -0.58 -4.87 113.70 107.84 3cik s SER 191 Ca -0.02 -0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.41 3cik s SER 191 Cb -0.03 -0.01 -0.07 0.00 -1.71 0.00 0.00 66.02 64.20 3cik s SER 191 CO -0.03 0.00 0.61 -0.76 1.20 0.00 0.00 173.24 174.27 3cik s LEU 192 N 0.02 4.51 0.49 3.45 1.43 -1.26 -1.29 118.68 126.03 3cik s LEU 192 Ca -0.00 1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 54.19 3cik s LEU 192 Cb -0.00 -2.97 -0.07 0.00 0.03 0.00 0.00 46.19 43.18 3cik s LEU 192 CO -0.00 0.22 1.13 0.00 0.23 0.00 0.00 176.35 177.93 3cik s ALA 193 N -0.90 2.85 0.28 4.21 0.00 -1.00 -4.77 121.76 122.42 3cik s ALA 193 Ca 0.31 0.83 0.09 0.00 0.00 0.00 0.00 51.96 53.19 3cik s ALA 193 Cb -0.20 -3.35 0.86 0.00 0.00 0.00 0.00 23.12 20.43 3cik s ALA 193 CO 0.20 -0.63 1.28 -2.30 0.00 0.00 0.00 175.76 174.31 3cik n PRO 194 N -0.85 -0.06 -0.18 0.00 -0.02 -1.26 0.09 135.00 132.73 3cik n PRO 194 Ca 0.09 1.17 0.07 0.00 -2.02 0.00 0.00 63.50 62.82 3cik n PRO 194 Cb 0.50 -1.98 0.21 0.00 -0.02 0.00 0.00 33.50 32.21 3cik n PRO 194 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3cik n ASP 195 N -5.00 2.07 -2.06 2.55 5.68 -1.26 -4.93 116.55 113.59 3cik n ASP 195 Ca 0.25 -1.95 -0.10 0.00 -0.50 0.00 0.00 54.79 52.49 3cik n ASP 195 Cb 0.84 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 40.56 3cik n ASP 195 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3cik n THR 196 N 0.62 -0.32 -0.05 2.12 -2.24 0.11 -4.81 114.28 109.72 3cik n THR 196 Ca 0.14 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.70 3cik n THR 196 Cb 0.34 -1.29 -0.13 0.00 -2.10 0.00 0.00 70.33 67.16 3cik n THR 196 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3cik h ARG 197 N 0.00 0.14 -5.73 -0.78 9.65 -1.92 -3.46 114.38 112.28 3cik h ARG 197 Ca -0.23 -0.23 -0.60 0.00 -1.10 0.00 0.00 59.98 57.81 3cik h ARG 197 Cb 1.01 0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 29.57 3cik h ARG 197 CO 0.29 1.11 -0.52 -0.51 2.80 0.00 0.00 179.97 183.14 3cik s LEU 198 N -7.50 2.90 0.16 3.80 1.43 -1.26 -1.49 118.68 116.71 3cik s LEU 198 Ca -0.25 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.43 3cik s LEU 198 Cb 0.06 -1.14 0.03 0.00 0.03 0.00 0.00 46.19 45.16 3cik s LEU 198 CO 0.68 -0.59 0.42 0.72 0.23 0.00 0.00 176.35 177.82 3cik s PHE 199 N -2.68 -0.08 0.17 0.29 -0.12 -0.74 -2.38 117.98 112.43 3cik s PHE 199 Ca 0.34 -0.26 0.10 0.00 -0.05 0.00 0.00 56.93 57.05 3cik s PHE 199 Cb 0.05 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 3cik s PHE 199 CO 0.18 -0.78 -0.15 0.14 -0.05 0.00 0.00 175.22 174.56 3cik s VAL 200 N -3.85 2.89 0.05 -2.49 -7.23 -0.41 -0.16 120.40 109.20 3cik s VAL 200 Ca 0.07 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 3cik s VAL 200 Cb 0.01 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 3cik s VAL 200 CO -0.07 -0.06 -0.12 -0.94 -0.31 0.00 0.00 175.10 173.61 3cik s SER 201 N -2.61 1.39 -0.06 4.85 1.04 -0.55 -1.52 113.70 116.25 3cik s SER 201 Ca 0.22 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.19 3cik s SER 201 Cb -0.09 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 3cik s SER 201 CO 0.12 -0.07 -0.24 -0.83 0.98 0.00 0.00 173.24 173.21 3cik s GLY 202 N -1.42 1.24 0.42 7.32 0.00 -0.38 -1.17 107.32 113.33 3cik s GLY 202 Ca -0.03 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.75 3cik s GLY 202 CO 0.01 -0.57 0.06 0.00 0.00 0.00 0.00 173.10 172.60 3cik s ALA 203 N -0.09 3.19 -2.00 3.20 0.00 -1.06 -1.31 121.76 123.69 3cik s ALA 203 Ca -0.05 -1.32 0.30 0.00 0.00 0.00 0.00 51.96 50.89 3cik s ALA 203 Cb -0.14 0.43 1.78 0.00 0.00 0.00 0.00 23.12 25.18 3cik s ALA 203 CO 0.04 -0.20 2.11 0.00 0.00 0.00 0.00 175.76 177.70 3cik n ASP 205 N -1.00 0.31 0.00 0.00 5.68 -1.26 -4.58 116.55 115.70 3cik n ASP 205 Ca 0.22 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 3cik n ASP 205 Cb 0.10 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3cik n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cik n ALA 206 N -0.65 0.00 -2.61 2.12 0.00 -1.15 -5.00 120.51 113.21 3cik n ALA 206 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.36 3cik n ALA 206 Cb 0.13 -0.55 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 3cik n ALA 206 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cik s SER 207 N -2.01 4.48 0.00 0.00 1.04 -1.26 -4.17 113.70 111.78 3cik s SER 207 Ca 0.00 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.93 3cik s SER 207 Cb 0.00 -0.84 -0.03 0.00 0.10 0.00 0.00 66.02 65.25 3cik s SER 207 CO 0.00 0.08 -0.07 0.00 0.98 0.00 0.00 173.24 174.23 3cik s ALA 208 N -1.83 3.02 -0.04 5.32 0.00 -0.52 -2.56 121.76 125.14 3cik s ALA 208 Ca 0.27 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3cik s ALA 208 Cb -0.08 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 3cik s ALA 208 CO 0.17 0.61 -0.20 0.15 0.00 0.00 0.00 175.76 176.49 3cik s LYS 209 N -1.43 1.98 -0.24 0.00 1.02 -0.32 0.38 119.74 121.13 3cik s LYS 209 Ca 0.17 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.28 3cik s LYS 209 Cb -0.11 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 3cik s LYS 209 CO 0.08 0.33 0.38 -1.17 -0.92 0.00 0.00 175.35 174.04 3cik s LEU 210 N -0.14 4.09 0.02 3.17 2.96 -0.63 -1.48 118.68 126.66 3cik s LEU 210 Ca -0.01 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3cik s LEU 210 Cb -0.11 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 3cik s LEU 210 CO 0.02 -0.14 0.01 0.26 -1.32 0.00 0.00 176.35 175.19 3cik s TRP 211 N 1.75 3.09 -0.41 5.38 0.52 0.78 -0.66 118.94 129.38 3cik s TRP 211 Ca 0.16 0.07 -0.23 0.00 0.02 0.00 0.00 56.10 56.13 3cik s TRP 211 Cb -0.15 -1.65 0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3cik s TRP 211 CO 0.09 0.48 0.79 0.34 0.02 0.00 0.00 176.95 178.66 3cik s ASP 212 N -1.76 6.47 0.13 2.95 -1.08 -0.85 -1.80 116.67 120.73 3cik s ASP 212 Ca 0.22 0.11 -0.17 0.00 -0.52 0.00 0.00 52.55 52.19 3cik s ASP 212 Cb -0.12 -2.39 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 3cik s ASP 212 CO 0.13 -0.83 1.69 0.58 0.52 0.00 0.00 175.17 177.26 3cik h VAL 213 N 5.88 1.18 -0.42 1.11 2.07 -1.59 0.81 116.25 125.28 3cik h VAL 213 Ca -0.25 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 3cik h VAL 213 Cb 1.09 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3cik h VAL 213 CO 0.94 0.19 -0.12 -0.09 0.02 0.00 0.00 177.57 178.51 3cik h ARG 214 N 0.45 0.76 0.04 1.57 9.65 -1.91 -3.33 114.38 121.61 3cik h ARG 214 Ca 0.13 -0.25 -0.32 0.00 -1.10 0.00 0.00 59.98 58.44 3cik h ARG 214 Cb 0.14 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 3cik h ARG 214 CO -0.01 0.85 -1.74 0.39 2.80 0.00 0.00 179.97 182.25 3cik n GLU 215 N -4.16 0.63 0.00 0.20 -0.58 -1.17 -5.06 120.64 110.50 3cik n GLU 215 Ca 0.01 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3cik n GLU 215 Cb 0.37 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 3cik n GLU 215 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cik n GLY 216 N 1.62 0.74 3.27 0.62 0.00 0.27 -5.07 105.19 106.63 3cik n GLY 216 Ca -0.36 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3cik n GLY 216 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3cik s MET 217 N 0.53 0.78 -0.16 1.61 0.23 -1.24 -4.77 119.30 116.28 3cik s MET 217 Ca 0.00 -0.34 -0.29 0.00 -1.03 0.00 0.00 55.69 54.03 3cik s MET 217 Cb 0.00 0.34 -0.00 0.00 -1.53 0.00 0.00 34.83 33.64 3cik s MET 217 CO 0.00 -0.24 1.04 0.00 -2.03 0.00 0.00 175.02 173.79 3cik n ARG 219 N 5.67 0.72 -4.05 0.00 1.74 0.16 -4.99 116.66 115.91 3cik n ARG 219 Ca 0.11 0.26 -0.08 0.00 -0.77 0.00 0.00 57.85 57.36 3cik n ARG 219 Cb 0.47 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 30.15 3cik n ARG 219 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3cik s GLN 220 N -2.53 0.50 -0.05 5.56 -0.21 -1.24 -5.02 119.66 116.67 3cik s GLN 220 Ca -0.26 -0.97 -0.01 0.00 0.02 0.00 0.00 55.36 54.14 3cik s GLN 220 Cb 0.07 0.14 0.03 0.00 1.00 0.00 0.00 33.01 34.25 3cik s GLN 220 CO 0.71 -0.08 0.02 0.99 -2.12 0.00 0.00 175.29 174.81 3cik s THR 221 N -2.84 0.19 -0.17 -0.19 2.01 -1.26 -1.61 115.64 111.77 3cik s THR 221 Ca -0.02 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 3cik s THR 221 Cb 0.00 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 3cik s THR 221 CO -0.06 0.21 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.70 3cik s PHE 222 N 1.76 3.06 0.17 4.92 0.40 0.16 -4.96 117.98 123.48 3cik s PHE 222 Ca 0.01 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3cik s PHE 222 Cb -0.13 -1.99 -0.00 0.00 0.51 0.00 0.00 43.02 41.41 3cik s PHE 222 CO -0.04 -0.04 0.04 0.25 0.70 0.00 0.00 175.22 176.14 3cik n THR 223 N 3.63 0.00 0.00 0.64 -2.24 -1.26 -1.44 114.28 113.61 3cik n THR 223 Ca -0.17 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3cik n THR 223 Cb 0.52 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3cik n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cik n GLY 224 N 1.54 3.80 3.77 3.38 0.00 -1.26 -4.78 105.19 111.64 3cik n GLY 224 Ca -0.04 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3cik n GLY 224 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cik s HIS 225 N 0.00 2.66 -1.20 1.61 3.76 -1.26 -4.95 115.29 115.91 3cik s HIS 225 Ca 0.00 1.55 0.13 0.00 -0.15 0.00 0.00 55.06 56.58 3cik s HIS 225 Cb 0.00 -3.23 0.31 0.00 1.11 0.00 0.00 32.58 30.77 3cik s HIS 225 CO 0.00 -1.60 1.23 0.39 -0.85 0.00 0.00 174.74 173.91 3cik n GLU 226 N -1.74 2.47 -3.83 1.40 1.02 -1.26 -4.91 120.64 113.78 3cik n GLU 226 Ca 0.11 -1.98 -0.07 0.00 -0.02 0.00 0.00 57.16 55.20 3cik n GLU 226 Cb 0.51 -1.30 0.01 0.00 -0.02 0.00 0.00 31.44 30.64 3cik n GLU 226 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3cik s SER 227 N -1.02 -0.06 0.28 1.62 0.15 -1.26 -4.95 113.70 108.46 3cik s SER 227 Ca 0.25 -0.89 -0.30 0.00 0.70 0.00 0.00 55.95 55.71 3cik s SER 227 Cb 0.14 0.73 -0.13 0.00 -1.71 0.00 0.00 66.02 65.04 3cik s SER 227 CO 0.18 -1.42 1.27 0.47 1.20 0.00 0.00 173.24 174.94 3cik n ASP 228 N -1.12 2.35 -4.59 5.45 9.92 -1.26 -4.24 116.55 123.06 3cik n ASP 228 Ca -0.06 1.17 -0.43 0.00 -0.53 0.00 0.00 54.79 54.94 3cik n ASP 228 Cb 0.60 -1.40 -0.04 0.00 -0.64 0.00 0.00 41.12 39.64 3cik n ASP 228 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3cik s ILE 229 N -0.60 4.58 -0.42 0.53 1.01 -0.52 -1.51 121.20 124.28 3cik s ILE 229 Ca 0.63 0.99 0.23 0.00 0.00 0.00 0.00 60.65 62.49 3cik s ILE 229 Cb -0.65 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 37.45 3cik s ILE 229 CO 0.56 -0.61 1.08 0.59 0.00 0.00 0.00 174.94 176.56 3cik n ASN 230 N 6.82 0.71 -3.53 3.58 3.02 0.26 -3.94 115.26 122.19 3cik n ASN 230 Ca 0.06 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.62 3cik n ASN 230 Cb 0.48 0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 40.14 3cik n ASN 230 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cik s ALA 231 N -3.28 -1.35 0.10 5.41 0.00 -0.99 -4.44 121.76 117.20 3cik s ALA 231 Ca 0.02 0.44 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 3cik s ALA 231 Cb 0.12 0.62 0.03 0.00 0.00 0.00 0.00 23.12 23.89 3cik s ALA 231 CO 0.78 -0.63 0.38 -1.50 0.00 0.00 0.00 175.76 174.80 3cik s ILE 232 N -3.18 0.07 -0.29 0.00 2.07 -1.26 -0.96 121.20 117.65 3cik s ILE 232 Ca -0.01 -0.60 -0.17 0.00 -1.41 0.00 0.00 60.65 58.45 3cik s ILE 232 Cb -0.00 -1.12 0.14 0.00 0.13 0.00 0.00 42.46 41.61 3cik s ILE 232 CO -0.08 -0.33 0.97 0.00 -1.91 0.00 0.00 174.94 173.59 3cik s PHE 234 N 1.19 3.76 0.46 0.00 0.08 -1.26 -0.43 117.98 121.78 3cik s PHE 234 Ca -0.07 1.75 -0.23 0.00 0.12 0.00 0.00 56.93 58.50 3cik s PHE 234 Cb -0.04 -3.13 -0.07 0.00 -0.57 0.00 0.00 43.02 39.20 3cik s PHE 234 CO -0.14 -0.08 1.21 0.12 -0.10 0.00 0.00 175.22 176.23 3cik s PHE 235 N -0.50 2.80 0.58 0.36 5.36 -0.61 -4.81 117.98 121.16 3cik s PHE 235 Ca 0.46 1.50 0.28 0.00 -0.96 0.00 0.00 56.93 58.20 3cik s PHE 235 Cb -0.27 -3.48 1.61 0.00 -0.34 0.00 0.00 43.02 40.54 3cik s PHE 235 CO 0.33 -1.78 2.09 -1.35 -1.46 0.00 0.00 175.22 173.06 3cik h PRO 236 N 2.10 0.00 -0.01 10.12 0.11 -1.89 -0.81 132.00 141.62 3cik h PRO 236 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cik h PRO 236 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3cik h PRO 236 CO 0.60 0.00 -0.22 0.27 -0.21 0.00 0.00 178.00 178.45 3cik n ASN 237 N -3.90 1.06 -0.09 -2.05 0.23 -1.26 -4.81 115.26 104.44 3cik n ASN 237 Ca 0.02 -0.95 -0.01 0.00 -0.53 0.00 0.00 54.58 53.11 3cik n ASN 237 Cb 0.34 0.11 -0.00 0.00 -2.08 0.00 0.00 39.78 38.14 3cik n ASN 237 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cik n GLY 238 N 1.32 0.50 1.19 4.83 0.00 -0.31 -4.90 105.19 107.81 3cik n GLY 238 Ca 0.13 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.80 3cik n GLY 238 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cik n ASN 239 N 0.72 3.54 -3.71 1.61 5.03 -1.26 -4.97 115.26 116.22 3cik n ASN 239 Ca -0.01 -1.99 -0.05 0.00 0.87 0.00 0.00 54.58 53.39 3cik n ASN 239 Cb 0.07 -0.30 -0.02 0.00 -1.02 0.00 0.00 39.78 38.51 3cik n ASN 239 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cik s ALA 240 N -1.40 -1.62 0.18 5.41 0.00 -1.26 -1.09 121.76 121.98 3cik s ALA 240 Ca 0.41 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 3cik s ALA 240 Cb 0.23 0.65 0.03 0.00 0.00 0.00 0.00 23.12 24.03 3cik s ALA 240 CO 0.32 -0.97 0.47 -0.59 0.00 0.00 0.00 175.76 174.99 3cik s PHE 241 N -3.37 -0.08 0.26 0.00 -0.12 -0.24 -1.57 117.98 112.85 3cik s PHE 241 Ca 0.10 -0.25 0.12 0.00 -0.05 0.00 0.00 56.93 56.84 3cik s PHE 241 Cb -0.02 0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.63 3cik s PHE 241 CO 0.00 -0.84 -0.21 0.00 -0.05 0.00 0.00 175.22 174.12 3cik s ALA 242 N -3.87 2.65 0.10 1.99 0.00 0.43 -0.62 121.76 122.46 3cik s ALA 242 Ca 0.09 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.29 3cik s ALA 242 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 3cik s ALA 242 CO -0.05 0.30 -0.15 0.95 0.00 0.00 0.00 175.76 176.81 3cik s THR 243 N -2.35 1.31 -0.09 0.00 -4.23 -0.49 -1.46 115.64 108.33 3cik s THR 243 Ca 0.27 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 3cik s THR 243 Cb -0.05 -1.39 -0.00 0.00 1.34 0.00 0.00 72.50 72.40 3cik s THR 243 CO 0.13 -0.31 -0.23 -0.83 -0.54 0.00 0.00 174.62 172.84 3cik s GLY 244 N -2.16 1.27 0.17 3.99 0.00 -0.14 -2.38 107.32 108.08 3cik s GLY 244 Ca 0.05 -0.94 0.06 0.00 0.00 0.00 0.00 44.72 43.89 3cik s GLY 244 CO 0.03 -0.37 -0.13 -0.45 0.00 0.00 0.00 173.10 172.18 3cik s SER 245 N 0.24 2.22 0.63 1.64 0.15 -1.02 0.92 113.70 118.47 3cik s SER 245 Ca -0.15 -1.00 0.41 0.00 0.70 0.00 0.00 55.95 55.92 3cik s SER 245 Cb -0.17 -0.08 2.12 0.00 -1.71 0.00 0.00 66.02 66.18 3cik s SER 245 CO 0.07 -0.23 2.26 0.44 1.20 0.00 0.00 173.24 176.98 3cik h ASP 246 N 2.74 0.00 0.00 5.45 5.19 -1.52 -1.08 116.42 127.21 3cik h ASP 246 Ca -0.38 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3cik h ASP 246 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3cik h ASP 246 CO 0.61 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.84 3cik n ASP 247 N -3.10 0.10 -0.30 6.45 5.68 -1.26 -4.11 116.55 120.00 3cik n ASP 247 Ca -0.02 -1.52 -0.04 0.00 -0.50 0.00 0.00 54.79 52.71 3cik n ASP 247 Cb 0.14 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 3cik n ASP 247 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cik n ALA 248 N -0.42 -0.06 -2.45 2.12 0.00 -1.15 -4.98 120.51 113.57 3cik n ALA 248 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 3cik n ALA 248 Cb 0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 3cik n ALA 248 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cik s THR 249 N -2.01 2.09 0.25 0.00 -4.23 -1.26 -4.72 115.64 105.77 3cik s THR 249 Ca 0.00 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 3cik s THR 249 Cb 0.00 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 3cik s THR 249 CO 0.00 -0.17 0.09 0.00 -0.54 0.00 0.00 174.62 174.00 3cik s ARG 251 N -3.71 0.25 -0.17 0.00 0.52 -1.00 -0.86 118.95 113.97 3cik s ARG 251 Ca 0.32 -0.18 -0.08 0.00 -0.52 0.00 0.00 55.73 55.27 3cik s ARG 251 Cb -0.07 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 3cik s ARG 251 CO 0.22 -0.05 0.10 -1.17 0.02 0.00 0.00 175.30 174.42 3cik s LEU 252 N -0.66 4.05 -0.10 2.53 2.96 -0.39 -1.40 118.68 125.67 3cik s LEU 252 Ca -0.07 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3cik s LEU 252 Cb -0.05 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.64 3cik s LEU 252 CO 0.00 0.23 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.75 3cik s PHE 253 N 0.06 1.87 -0.21 5.38 0.40 0.21 -0.24 117.98 125.44 3cik s PHE 253 Ca 0.08 -0.84 -0.11 0.00 -0.60 0.00 0.00 56.93 55.46 3cik s PHE 253 Cb -0.12 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.01 3cik s PHE 253 CO 0.00 -0.43 0.16 0.34 0.70 0.00 0.00 175.22 175.98 3cik s ASP 254 N 0.93 6.19 0.10 1.36 -1.08 -0.87 -1.07 116.67 122.23 3cik s ASP 254 Ca -0.08 0.21 -0.32 0.00 -0.52 0.00 0.00 52.55 51.83 3cik s ASP 254 Cb -0.15 -2.10 -0.13 0.00 -1.46 0.00 0.00 42.92 39.08 3cik s ASP 254 CO -0.00 0.13 1.59 -0.07 0.52 0.00 0.00 175.17 177.33 3cik h LEU 255 N 7.00 -1.20 -0.50 -1.34 3.38 -1.43 -0.27 115.31 120.95 3cik h LEU 255 Ca -0.40 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 3cik h LEU 255 Cb 1.16 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 3cik h LEU 255 CO 0.72 -0.54 -0.36 0.03 0.09 0.00 0.00 178.44 178.38 3cik h ARG 256 N -0.77 0.00 0.00 1.13 3.08 -1.96 0.29 114.38 116.15 3cik h ARG 256 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3cik h ARG 256 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 3cik h ARG 256 CO -0.15 0.36 -0.11 0.00 -1.07 0.00 0.00 179.97 179.01 3cik h ALA 257 N 1.64 0.94 -5.76 0.04 0.00 -1.92 -3.48 119.26 110.72 3cik h ALA 257 Ca -0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 54.91 54.43 3cik h ALA 257 Cb 1.08 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 19.00 3cik h ALA 257 CO 0.05 0.13 -0.70 -3.47 0.00 0.00 0.00 179.25 175.26 3cik n ASP 258 N -3.14 -5.15 -3.74 0.00 2.03 0.09 -4.90 116.55 101.73 3cik n ASP 258 Ca 0.03 -0.56 -0.04 0.00 0.52 0.00 0.00 54.79 54.74 3cik n ASP 258 Cb 0.52 -5.03 -0.01 0.00 -0.72 0.00 0.00 41.12 35.88 3cik n ASP 258 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cik s GLN 259 N -6.04 1.22 0.33 -0.67 -2.07 -1.14 -4.96 119.66 106.33 3cik s GLN 259 Ca 0.42 -0.66 -0.29 0.00 -1.82 0.00 0.00 55.36 53.01 3cik s GLN 259 Cb -0.18 0.42 -0.11 0.00 -1.09 0.00 0.00 33.01 32.05 3cik s GLN 259 CO 0.72 -0.56 1.54 -2.00 -1.32 0.00 0.00 175.29 173.68 3cik s GLU 260 N -3.33 4.11 -0.13 9.60 2.12 -1.26 -2.05 118.70 127.77 3cik s GLU 260 Ca 0.12 2.58 0.07 0.00 0.36 0.00 0.00 54.97 58.09 3cik s GLU 260 Cb -0.02 -3.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.25 3cik s GLU 260 CO 0.02 -0.59 -0.03 1.28 -0.54 0.00 0.00 175.26 175.40 3cik n LEU 261 N 1.34 1.28 -3.57 2.70 4.77 0.67 -4.89 117.00 119.30 3cik n LEU 261 Ca 0.05 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 3cik n LEU 261 Cb 0.38 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 3cik n LEU 261 CO 0.64 0.49 0.31 -0.32 -1.33 0.00 0.00 177.39 177.18 3cik s MET 262 N -2.29 1.02 0.03 3.23 0.00 -1.20 -4.35 119.30 115.74 3cik s MET 262 Ca -0.12 -0.09 0.05 0.00 0.00 0.00 0.00 55.69 55.53 3cik s MET 262 Cb 0.04 0.47 -0.03 0.00 0.00 0.00 0.00 34.83 35.31 3cik s MET 262 CO 0.43 -0.35 -0.11 0.99 0.00 0.00 0.00 175.02 175.98 3cik s THR 263 N -2.02 3.31 -0.24 10.11 2.01 -1.26 -1.26 115.64 126.29 3cik s THR 263 Ca -0.08 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.94 3cik s THR 263 Cb -0.01 -2.44 0.06 0.00 0.01 0.00 0.00 72.50 70.12 3cik s THR 263 CO 0.02 0.33 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.90 3cik s TYR 264 N -1.01 2.58 0.20 4.92 1.51 -0.04 -4.94 117.35 120.58 3cik s TYR 264 Ca 0.17 -1.86 -0.09 0.00 -1.01 0.00 0.00 57.07 54.29 3cik s TYR 264 Cb -0.11 -1.66 0.03 0.00 -0.11 0.00 0.00 41.96 40.12 3cik s TYR 264 CO 0.08 -0.79 0.46 -1.13 -1.11 0.00 0.00 175.55 173.05 3cik n SER 265 N 4.62 -1.23 -3.65 2.29 3.41 -1.26 -1.92 113.62 115.88 3cik n SER 265 Ca -0.13 -1.83 -0.03 0.00 -0.26 0.00 0.00 58.87 56.63 3cik n SER 265 Cb 0.44 2.05 -0.07 0.00 -0.26 0.00 0.00 64.21 66.37 3cik n SER 265 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3cik s HIS 266 N -5.03 -0.35 0.54 7.33 2.46 -1.26 -5.03 115.29 113.95 3cik s HIS 266 Ca 0.09 0.75 0.28 0.00 0.47 0.00 0.00 55.06 56.66 3cik s HIS 266 Cb -0.03 0.30 1.45 0.00 -0.13 0.00 0.00 32.58 34.17 3cik s HIS 266 CO 0.06 -0.17 1.95 -0.44 -2.47 0.00 0.00 174.74 173.66 3cik h ASP 267 N 5.03 0.00 0.50 9.88 3.32 -2.02 -1.00 116.42 132.13 3cik h ASP 267 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3cik h ASP 267 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3cik h ASP 267 CO 0.19 0.00 -0.14 0.59 -1.72 0.00 0.00 179.24 178.15 3cik n ASN 268 N -4.23 0.37 -4.26 6.45 3.02 -1.26 -4.65 115.26 110.70 3cik n ASN 268 Ca 0.13 -0.32 -0.38 0.00 -0.03 0.00 0.00 54.58 53.98 3cik n ASN 268 Cb 0.74 -0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 39.69 3cik n ASN 268 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cik s ILE 269 N -2.65 3.88 -0.22 2.41 1.01 -0.38 -4.94 121.20 120.31 3cik s ILE 269 Ca 0.24 -1.31 0.14 0.00 0.00 0.00 0.00 60.65 59.72 3cik s ILE 269 Cb 0.19 -3.30 -0.20 0.00 0.01 0.00 0.00 42.46 39.17 3cik s ILE 269 CO 0.52 -0.33 0.41 -0.38 0.00 0.00 0.00 174.94 175.15 3cik n ILE 270 N 4.82 0.00 -3.21 2.92 5.41 -1.26 -4.67 119.36 123.37 3cik n ILE 270 Ca -0.11 -0.28 -0.20 0.00 1.00 0.00 0.00 62.75 63.17 3cik n ILE 270 Cb 0.44 0.43 0.02 0.00 -0.71 0.00 0.00 39.64 39.81 3cik n ILE 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cik s GLY 272 N -4.42 1.59 -0.18 0.00 0.00 -1.26 -3.76 107.32 99.30 3cik s GLY 272 Ca 0.54 -0.51 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 3cik s GLY 272 CO 0.33 -0.36 0.25 -0.42 0.00 0.00 0.00 173.10 172.90 3cik s ILE 273 N -2.55 5.33 -0.12 0.90 1.09 -0.42 -1.55 121.20 123.88 3cik s ILE 273 Ca 0.47 0.45 0.20 0.00 -1.10 0.00 0.00 60.65 60.67 3cik s ILE 273 Cb -0.10 -3.59 -0.22 0.00 -1.06 0.00 0.00 42.46 37.48 3cik s ILE 273 CO 0.40 0.39 0.55 0.35 -0.10 0.00 0.00 174.94 176.53 3cik n THR 274 N 3.63 0.67 -3.45 2.92 -2.24 0.15 -4.06 114.28 111.91 3cik n THR 274 Ca -0.13 -0.63 -0.12 0.00 -2.27 0.00 0.00 64.05 60.90 3cik n THR 274 Cb 0.52 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 3cik n THR 274 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3cik s SER 275 N -5.15 -0.54 -0.10 3.42 1.04 -1.22 -4.52 113.70 106.64 3cik s SER 275 Ca -0.06 0.01 -0.20 0.00 0.48 0.00 0.00 55.95 56.17 3cik s SER 275 Cb 0.10 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.85 3cik s SER 275 CO 0.85 -0.94 0.49 0.68 0.98 0.00 0.00 173.24 175.30 3cik s VAL 276 N -3.61 0.02 -0.11 5.02 -7.23 -1.26 -1.36 120.40 111.87 3cik s VAL 276 Ca 0.01 -0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.72 3cik s VAL 276 Cb -0.01 -0.76 0.10 0.00 0.56 0.00 0.00 36.38 36.28 3cik s VAL 276 CO -0.12 -0.08 0.87 -0.55 -0.31 0.00 0.00 175.10 174.90 3cik s SER 277 N -0.64 -0.48 0.26 4.85 0.15 -0.08 -4.78 113.70 112.98 3cik s SER 277 Ca -0.07 0.50 -0.02 0.00 0.70 0.00 0.00 55.95 57.05 3cik s SER 277 Cb -0.03 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.63 3cik s SER 277 CO 0.04 -0.47 0.49 -0.36 1.20 0.00 0.00 173.24 174.14 3cik s PHE 278 N -1.27 3.48 1.19 3.44 0.08 -1.26 -0.10 117.98 123.54 3cik s PHE 278 Ca -0.05 0.47 -0.18 0.00 0.12 0.00 0.00 56.93 57.29 3cik s PHE 278 Cb -0.00 -1.97 0.28 0.00 -0.57 0.00 0.00 43.02 40.76 3cik s PHE 278 CO 0.04 0.25 1.10 -1.54 -0.10 0.00 0.00 175.22 174.97 3cik s SER 279 N -3.30 0.99 0.15 1.36 1.04 0.55 -4.73 113.70 109.77 3cik s SER 279 Ca 0.41 0.72 -0.12 0.00 0.48 0.00 0.00 55.95 57.44 3cik s SER 279 Cb -0.11 -1.03 0.03 0.00 0.10 0.00 0.00 66.02 65.01 3cik s SER 279 CO 0.30 -4.09 1.62 0.50 0.98 0.00 0.00 173.24 172.56 3cik h LYS 280 N -2.55 0.87 0.00 4.02 3.64 -1.89 -2.29 116.57 118.37 3cik h LYS 280 Ca -0.46 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 3cik h LYS 280 Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3cik h LYS 280 CO 0.37 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 179.09 3cik h SER 281 N 0.74 0.00 0.00 4.20 4.64 -1.95 -3.45 113.55 117.74 3cik h SER 281 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3cik h SER 281 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3cik h SER 281 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3cik n GLY 282 N 0.77 1.23 0.24 -0.77 0.00 -0.86 -4.90 105.19 100.91 3cik n GLY 282 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3cik n GLY 282 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cik h ARG 283 N 3.49 0.49 -5.54 1.61 9.65 -1.91 -3.42 114.38 118.75 3cik h ARG 283 Ca 0.00 -0.18 -0.64 0.00 -1.10 0.00 0.00 59.98 58.05 3cik h ARG 283 Cb 0.00 -0.03 -0.14 0.00 -1.39 0.00 0.00 29.97 28.40 3cik h ARG 283 CO 0.00 0.70 -0.57 -0.51 2.80 0.00 0.00 179.97 182.39 3cik s LEU 284 N -8.69 3.82 -0.30 3.80 1.43 -1.26 0.56 118.68 118.04 3cik s LEU 284 Ca -0.07 0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3cik s LEU 284 Cb 0.14 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3cik s LEU 284 CO 0.79 0.27 0.03 -0.22 0.23 0.00 0.00 176.35 177.45 3cik s LEU 285 N -0.23 3.82 -0.17 1.79 2.96 0.45 -0.33 118.68 126.97 3cik s LEU 285 Ca 0.07 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 52.85 3cik s LEU 285 Cb -0.12 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3cik s LEU 285 CO 0.02 -0.23 0.29 -0.76 -1.32 0.00 0.00 176.35 174.35 3cik s LEU 286 N 1.37 4.22 -0.03 -0.68 1.02 0.85 -0.19 118.68 125.24 3cik s LEU 286 Ca -0.01 0.47 0.03 0.00 0.02 0.00 0.00 54.13 54.63 3cik s LEU 286 Cb -0.18 -2.36 0.00 0.00 0.02 0.00 0.00 46.19 43.67 3cik s LEU 286 CO 0.00 0.08 -0.10 0.00 0.02 0.00 0.00 176.35 176.35 3cik s ALA 287 N 0.60 0.98 0.03 4.21 0.00 -0.53 -0.90 121.76 126.14 3cik s ALA 287 Ca 0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 3cik s ALA 287 Cb -0.13 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 3cik s ALA 287 CO 0.04 0.15 0.38 0.20 0.00 0.00 0.00 175.76 176.53 3cik s GLY 288 N 0.22 2.38 0.18 0.00 0.00 -0.46 -0.34 107.32 109.30 3cik s GLY 288 Ca -0.04 -0.34 0.09 0.00 0.00 0.00 0.00 44.72 44.43 3cik s GLY 288 CO 0.01 -0.06 -0.19 -0.19 0.00 0.00 0.00 173.10 172.66 3cik s TYR 289 N -1.23 1.95 -2.00 1.90 1.51 -0.33 0.35 117.35 119.49 3cik s TYR 289 Ca 0.28 -0.44 0.12 0.00 -1.01 0.00 0.00 57.07 56.02 3cik s TYR 289 Cb -0.15 -0.96 0.73 0.00 -0.11 0.00 0.00 41.96 41.47 3cik s TYR 289 CO 0.15 0.39 1.29 -3.47 -1.11 0.00 0.00 175.55 172.80 3cik n ASP 290 N 0.20 0.00 -1.22 2.29 -0.08 -0.59 -2.49 116.55 114.66 3cik n ASP 290 Ca -0.12 -1.14 0.10 0.00 -1.51 0.00 0.00 54.79 52.12 3cik n ASP 290 Cb 0.57 0.00 0.29 0.00 2.34 0.00 0.00 41.12 44.32 3cik n ASP 290 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3cik n ASP 291 N -0.75 3.55 0.00 1.67 5.75 -1.26 -4.60 116.55 120.91 3cik n ASP 291 Ca 0.09 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3cik n ASP 291 Cb 0.04 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 3cik n ASP 291 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3cik n PHE 292 N 1.39 0.00 -3.29 2.11 3.01 -1.13 -4.95 117.46 114.61 3cik n PHE 292 Ca 0.22 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.50 3cik n PHE 292 Cb 0.57 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.04 3cik n PHE 292 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3cik s ASN 293 N -2.20 5.67 -0.09 4.37 0.01 -1.26 -4.23 114.94 117.20 3cik s ASN 293 Ca 0.00 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.80 3cik s ASN 293 Cb 0.00 -0.86 0.00 0.00 0.41 0.00 0.00 41.25 40.80 3cik s ASN 293 CO 0.00 -0.61 -0.20 0.00 -1.51 0.00 0.00 177.10 174.78 3cik s ASN 295 N 0.48 6.39 -0.32 0.00 0.01 0.53 -0.43 114.94 121.60 3cik s ASN 295 Ca -0.17 0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 52.34 3cik s ASN 295 Cb -0.17 -2.03 0.04 0.00 0.41 0.00 0.00 41.25 39.50 3cik s ASN 295 CO 0.07 0.31 0.06 -0.69 -1.51 0.00 0.00 177.10 175.34 3cik s VAL 296 N -1.22 3.52 -0.13 1.60 1.01 -0.44 -1.46 120.40 123.28 3cik s VAL 296 Ca 0.23 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3cik s VAL 296 Cb -0.12 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3cik s VAL 296 CO 0.13 -0.12 0.10 0.26 0.00 0.00 0.00 175.10 175.48 3cik s TRP 297 N 1.36 3.46 -0.45 5.22 0.52 0.73 0.36 118.94 130.14 3cik s TRP 297 Ca -0.02 0.39 -0.28 0.00 0.02 0.00 0.00 56.10 56.21 3cik s TRP 297 Cb -0.19 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.16 3cik s TRP 297 CO 0.01 0.57 1.76 0.34 0.02 0.00 0.00 176.95 179.65 3cik s ASP 298 N -0.69 5.73 0.59 2.95 -1.08 -0.42 -0.41 116.67 123.35 3cik s ASP 298 Ca 0.13 0.86 0.35 0.00 -0.52 0.00 0.00 52.55 53.37 3cik s ASP 298 Cb -0.12 -2.53 1.84 0.00 -1.46 0.00 0.00 42.92 40.65 3cik s ASP 298 CO 0.03 -1.91 2.19 0.00 0.52 0.00 0.00 175.17 175.99 3cik h ALA 299 N 13.28 1.15 0.01 3.66 0.00 -0.15 0.15 119.26 137.36 3cik h ALA 299 Ca -0.30 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.26 3cik h ALA 299 Cb 1.16 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3cik h ALA 299 CO 1.11 0.05 -1.91 1.28 0.00 0.00 0.00 179.25 179.78 3cik n LEU 300 N -3.34 0.87 -0.00 0.00 4.77 -1.26 -4.43 117.00 113.61 3cik n LEU 300 Ca -0.02 0.29 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 3cik n LEU 300 Cb 0.17 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 3cik n LEU 300 CO 0.25 0.47 -0.15 0.29 -1.33 0.00 0.00 177.39 176.92 3cik n LYS 301 N -3.02 2.35 -0.13 3.23 5.02 -1.13 -4.50 118.16 119.97 3cik n LYS 301 Ca -0.22 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.04 3cik n LYS 301 Cb 1.07 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.95 3cik n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cik n ALA 302 N -1.42 0.00 -0.84 7.82 0.00 0.51 -4.99 120.51 121.60 3cik n ALA 302 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 3cik n ALA 302 Cb 0.22 -0.16 0.15 0.00 0.00 0.00 0.00 19.45 19.67 3cik n ALA 302 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3cik n ASP 303 N 0.00 0.26 -4.62 0.00 8.00 -1.25 -4.73 116.55 114.21 3cik n ASP 303 Ca 0.00 0.47 -0.40 0.00 0.71 0.00 0.00 54.79 55.57 3cik n ASP 303 Cb 0.00 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 39.58 3cik n ASP 303 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cik s ARG 304 N -4.31 4.10 -0.06 -1.24 6.06 -1.26 -1.29 118.95 120.94 3cik s ARG 304 Ca 0.68 0.43 0.18 0.00 -2.50 0.00 0.00 55.73 54.52 3cik s ARG 304 Cb -0.25 -3.64 -0.22 0.00 0.06 0.00 0.00 34.95 30.89 3cik s ARG 304 CO 0.57 -0.36 0.47 0.00 -2.50 0.00 0.00 175.30 173.48 3cik n ALA 305 N 5.55 1.92 -3.16 6.12 0.00 0.16 -4.92 120.51 126.18 3cik n ALA 305 Ca -0.03 -0.84 0.03 0.00 0.00 0.00 0.00 53.44 52.60 3cik n ALA 305 Cb 0.49 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3cik n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cik n GLY 306 N 1.51 0.60 3.16 0.00 0.00 -1.02 -1.59 105.19 107.84 3cik n GLY 306 Ca -0.17 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 3cik n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cik s VAL 307 N -2.15 0.01 -0.33 1.61 1.01 -1.26 -1.33 120.40 117.96 3cik s VAL 307 Ca 0.05 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 3cik s VAL 307 Cb -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3cik s VAL 307 CO -0.00 -0.05 0.11 -0.76 0.00 0.00 0.00 175.10 174.39 3cik s LEU 308 N -0.11 4.22 -0.38 3.92 1.43 0.43 -4.75 118.68 123.45 3cik s LEU 308 Ca -0.02 -1.00 0.02 0.00 -1.03 0.00 0.00 54.13 52.09 3cik s LEU 308 Cb -0.03 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.42 3cik s LEU 308 CO 0.01 -0.29 0.14 0.00 0.23 0.00 0.00 176.35 176.43 3cik s ALA 309 N 1.45 2.34 0.00 4.21 0.00 -1.26 -2.06 121.76 126.43 3cik s ALA 309 Ca -0.00 -2.38 0.00 0.00 0.00 0.00 0.00 51.96 49.58 3cik s ALA 309 Cb -0.19 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.07 3cik s ALA 309 CO 0.03 -1.82 0.00 0.41 0.00 0.00 0.00 175.76 174.38 3cik n GLY 310 N 4.11 -0.00 3.78 0.00 0.00 -1.26 -5.08 105.19 106.74 3cik n GLY 310 Ca 0.03 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3cik n GLY 310 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cik s HIS 311 N -1.30 2.69 -0.27 1.61 3.76 -1.26 -4.97 115.29 115.54 3cik s HIS 311 Ca 0.00 1.41 0.15 0.00 -0.15 0.00 0.00 55.06 56.47 3cik s HIS 311 Cb 0.00 -3.04 0.40 0.00 1.11 0.00 0.00 32.58 31.06 3cik s HIS 311 CO 0.00 -1.77 1.31 -0.25 -0.85 0.00 0.00 174.74 173.17 3cik n ASP 312 N -3.49 3.26 -3.66 1.40 10.43 -1.26 -4.87 116.55 118.36 3cik n ASP 312 Ca 0.08 -2.80 -0.00 0.00 2.57 0.00 0.00 54.79 54.64 3cik n ASP 312 Cb 0.54 -0.43 -0.01 0.00 1.84 0.00 0.00 41.12 43.06 3cik n ASP 312 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3cik s ASN 313 N -1.93 -0.09 0.02 -2.24 3.84 -1.26 -4.85 114.94 108.43 3cik s ASN 313 Ca 0.34 -0.25 -0.16 0.00 0.21 0.00 0.00 52.86 53.00 3cik s ASN 313 Cb 0.27 0.28 -0.09 0.00 -0.55 0.00 0.00 41.25 41.16 3cik s ASN 313 CO 0.08 -0.52 0.41 0.54 -2.79 0.00 0.00 177.10 174.82 3cik n ARG 314 N -0.50 0.00 -2.64 0.43 1.74 -1.26 -4.43 116.66 110.00 3cik n ARG 314 Ca -0.07 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.58 3cik n ARG 314 Cb 0.62 -0.61 -0.02 0.00 -1.02 0.00 0.00 32.46 31.43 3cik n ARG 314 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3cik s VAL 315 N -0.12 4.65 -0.20 1.55 1.01 -1.04 -1.01 120.40 125.23 3cik s VAL 315 Ca 0.38 1.98 0.07 0.00 0.00 0.00 0.00 61.98 64.40 3cik s VAL 315 Cb -0.53 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.49 3cik s VAL 315 CO 0.26 -0.15 0.24 -1.54 0.00 0.00 0.00 175.10 173.91 3cik n SER 316 N 6.15 1.51 -3.51 3.32 3.41 0.14 -3.90 113.62 120.73 3cik n SER 316 Ca 0.12 -0.41 -0.14 0.00 -0.26 0.00 0.00 58.87 58.18 3cik n SER 316 Cb 0.46 1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 65.49 3cik n SER 316 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cik s LEU 318 N -1.61 0.43 0.02 0.00 0.05 -1.26 -0.30 118.68 116.00 3cik s LEU 318 Ca -0.05 -0.17 -0.10 0.00 0.05 0.00 0.00 54.13 53.86 3cik s LEU 318 Cb -0.00 1.77 0.01 0.00 -2.05 0.00 0.00 46.19 45.91 3cik s LEU 318 CO 0.02 -0.76 0.22 -0.83 -0.55 0.00 0.00 176.35 174.45 3cik s GLY 319 N -2.40 -0.02 0.03 -3.48 0.00 -0.73 -4.74 107.32 95.98 3cik s GLY 319 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.67 3cik s GLY 319 CO -0.07 -0.25 -0.01 0.14 0.00 0.00 0.00 173.10 172.91 3cik s VAL 320 N -1.94 4.03 0.69 1.40 1.01 -1.26 -0.79 120.40 123.54 3cik s VAL 320 Ca -0.10 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3cik s VAL 320 Cb -0.04 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3cik s VAL 320 CO -0.00 0.28 1.06 0.42 0.00 0.00 0.00 175.10 176.86 3cik s THR 321 N -1.16 4.03 0.30 3.92 -4.23 -0.64 -4.92 115.64 112.95 3cik s THR 321 Ca 0.21 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.44 3cik s THR 321 Cb -0.12 -3.43 0.05 0.00 1.34 0.00 0.00 72.50 70.34 3cik s THR 321 CO 0.13 -0.86 1.72 0.44 -0.54 0.00 0.00 174.62 175.51 3cik h ASP 322 N -0.70 0.31 0.35 3.99 5.19 -1.86 -1.37 116.42 122.33 3cik h ASP 322 Ca -0.44 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 55.85 3cik h ASP 322 Cb 1.21 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.64 3cik h ASP 322 CO 0.58 0.64 -0.01 -0.90 -3.12 0.00 0.00 179.24 176.43 3cik n ASP 323 N -4.07 0.04 -0.11 6.45 5.68 -1.26 -4.91 116.55 118.36 3cik n ASP 323 Ca -0.01 -0.48 -0.01 0.00 -0.50 0.00 0.00 54.79 53.78 3cik n ASP 323 Cb 0.45 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 40.25 3cik n ASP 323 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3cik n GLY 324 N 1.18 0.37 0.15 6.12 0.00 -0.52 -4.89 105.19 107.61 3cik n GLY 324 Ca 0.18 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.15 3cik n GLY 324 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cik h MET 325 N 0.41 0.00 -3.28 1.61 2.86 -1.91 -3.46 114.93 111.16 3cik h MET 325 Ca -0.03 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 3cik h MET 325 Cb 0.55 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 31.99 3cik h MET 325 CO 0.04 0.52 -0.41 0.00 1.06 0.00 0.00 176.91 178.12 3cik s ALA 326 N -3.39 -0.53 -0.09 6.32 0.00 -1.26 -4.73 121.76 118.08 3cik s ALA 326 Ca 0.01 0.21 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 3cik s ALA 326 Cb 0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3cik s ALA 326 CO 0.73 -0.20 -0.07 0.08 0.00 0.00 0.00 175.76 176.30 3cik s VAL 327 N -0.96 3.64 -0.07 0.00 1.01 -0.07 -1.61 120.40 122.34 3cik s VAL 327 Ca -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3cik s VAL 327 Cb -0.05 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3cik s VAL 327 CO 0.02 0.57 -0.06 0.00 0.00 0.00 0.00 175.10 175.63 3cik s ALA 328 N -0.42 3.02 -0.04 5.51 0.00 0.03 0.15 121.76 130.01 3cik s ALA 328 Ca 0.06 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3cik s ALA 328 Cb -0.12 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.75 3cik s ALA 328 CO 0.02 0.58 -0.14 0.95 0.00 0.00 0.00 175.76 177.17 3cik s THR 329 N -0.83 1.19 0.05 0.00 -4.23 -0.15 -1.77 115.64 109.90 3cik s THR 329 Ca 0.13 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 60.11 3cik s THR 329 Cb -0.11 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.66 3cik s THR 329 CO 0.02 0.35 -0.07 -0.83 -0.54 0.00 0.00 174.62 173.55 3cik s GLY 330 N 0.15 1.78 0.06 3.99 0.00 0.59 -1.22 107.32 112.67 3cik s GLY 330 Ca -0.05 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.57 3cik s GLY 330 CO 0.02 -1.04 -0.05 -0.45 0.00 0.00 0.00 173.10 171.58 3cik s SER 331 N -1.82 0.76 0.54 1.64 0.15 -1.12 0.23 113.70 114.10 3cik s SER 331 Ca 0.20 -0.81 0.36 0.00 0.70 0.00 0.00 55.95 56.40 3cik s SER 331 Cb -0.11 0.11 1.87 0.00 -1.71 0.00 0.00 66.02 66.18 3cik s SER 331 CO 0.11 -0.41 2.10 -0.50 1.20 0.00 0.00 173.24 175.74 3cik h TRP 332 N 3.65 0.00 0.00 3.44 4.06 -1.23 -1.31 115.95 124.56 3cik h TRP 332 Ca -0.35 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.60 3cik h TRP 332 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3cik h TRP 332 CO 0.60 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 175.08 3cik n ASP 333 N -2.84 0.00 0.00 -3.49 5.68 -1.26 -4.10 116.55 110.54 3cik n ASP 333 Ca -0.02 0.47 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 3cik n ASP 333 Cb 0.12 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 3cik n ASP 333 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3cik n SER 334 N -1.48 0.00 -4.74 -1.12 3.41 -0.80 -4.94 113.62 103.94 3cik n SER 334 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.34 3cik n SER 334 Cb 0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 3cik n SER 334 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3cik s PHE 335 N -2.55 3.13 0.22 7.33 0.08 -1.26 -4.22 117.98 120.72 3cik s PHE 335 Ca 0.00 0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.13 3cik s PHE 335 Cb 0.00 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.80 3cik s PHE 335 CO 0.00 0.51 0.38 -0.51 -0.10 0.00 0.00 175.22 175.50 3cik s LEU 336 N -2.24 4.25 -0.01 -0.37 1.02 -1.08 -2.78 118.68 117.47 3cik s LEU 336 Ca 0.27 0.26 0.01 0.00 0.02 0.00 0.00 54.13 54.69 3cik s LEU 336 Cb -0.12 -3.04 -0.00 0.00 0.02 0.00 0.00 46.19 43.05 3cik s LEU 336 CO 0.19 -0.07 -0.05 -0.54 0.02 0.00 0.00 176.35 175.91 3cik s LYS 337 N -3.66 0.42 -0.19 1.70 1.02 -0.35 -0.35 119.74 118.33 3cik s LYS 337 Ca 0.36 -0.17 -0.07 0.00 0.02 0.00 0.00 55.97 56.12 3cik s LYS 337 Cb -0.10 -0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 36.76 3cik s LYS 337 CO 0.30 0.09 0.05 0.42 -0.92 0.00 0.00 175.35 175.29 3cik s ILE 338 N -0.04 4.61 0.13 2.17 -1.09 -0.84 -0.98 121.20 125.16 3cik s ILE 338 Ca 0.01 -0.10 0.10 0.00 -2.23 0.00 0.00 60.65 58.44 3cik s ILE 338 Cb -0.03 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 3cik s ILE 338 CO -0.00 0.45 -0.25 0.26 -1.23 0.00 0.00 174.94 174.16 3cik s TRP 339 N 0.51 2.19 0.00 3.97 0.52 0.12 -0.28 118.94 125.97 3cik s TRP 339 Ca 0.02 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.75 3cik s TRP 339 Cb -0.13 -1.18 0.00 0.00 -1.15 0.00 0.00 33.47 31.01 3cik s TRP 339 CO 0.01 0.32 0.00 0.27 0.02 0.00 0.00 176.95 177.57