#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jik n ASN 3 N 0.00 -4.46 -0.04 3.42 5.15 -1.26 -4.93 115.26 113.14 1jik n ASN 3 Ca 0.00 0.17 -0.14 0.00 -0.60 0.00 0.00 54.58 54.01 1jik n ASN 3 Cb 0.00 -2.56 -0.09 0.00 -0.53 0.00 0.00 39.78 36.61 1jik n ASN 3 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1jik h VAL 4 N 0.00 1.40 0.52 3.44 2.07 -1.99 -3.03 116.25 118.66 1jik h VAL 4 Ca -0.14 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 1jik h VAL 4 Cb 0.66 2.16 0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1jik h VAL 4 CO 0.20 0.44 -0.25 0.25 0.02 0.00 0.00 177.57 178.23 1jik h LEU 5 N -0.14 -0.59 -1.47 2.57 7.12 -1.95 -2.09 115.31 118.76 1jik h LEU 5 Ca -0.00 0.02 0.34 0.00 0.13 0.00 0.00 57.88 58.37 1jik h LEU 5 Cb 0.81 0.15 -0.10 0.00 -0.53 0.00 0.00 40.66 41.00 1jik h LEU 5 CO 0.05 -0.42 0.77 -0.29 -0.13 0.00 0.00 178.44 178.41 1jik h ILE 6 N -0.70 0.36 -0.37 4.05 6.09 -1.95 0.44 117.51 125.44 1jik h ILE 6 Ca -0.07 -0.08 -0.12 0.00 -1.37 0.00 0.00 64.86 63.22 1jik h ILE 6 Cb 0.54 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.92 1jik h ILE 6 CO 0.12 0.04 -0.25 -0.33 -3.07 0.00 0.00 178.15 174.66 1jik h GLU 7 N 0.23 0.75 0.13 2.19 4.39 -1.36 -2.22 114.58 118.70 1jik h GLU 7 Ca 0.67 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1jik h GLU 7 Cb 2.00 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1jik h GLU 7 CO -0.30 0.93 -0.06 0.22 -1.16 0.00 0.00 179.01 178.64 1jik h ASP 8 N 0.65 -0.15 -0.94 1.42 3.58 0.53 0.16 116.42 121.67 1jik h ASP 8 Ca 0.08 -0.35 0.15 0.00 0.42 0.00 0.00 57.03 57.33 1jik h ASP 8 Cb 0.77 0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.78 1jik h ASP 8 CO 0.06 0.31 0.60 -0.07 -2.88 0.00 0.00 179.24 177.26 1jik h LEU 9 N -0.66 0.72 0.26 2.28 3.38 -1.33 0.39 115.31 120.35 1jik h LEU 9 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1jik h LEU 9 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1jik h LEU 9 CO 0.03 0.35 -0.13 0.11 0.09 0.00 0.00 178.44 178.89 1jik h LYS 10 N 0.76 -0.34 -0.94 1.13 1.57 -1.14 0.27 116.57 117.88 1jik h LYS 10 Ca 0.48 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.50 1jik h LYS 10 Cb 0.73 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 33.00 1jik h LYS 10 CO -0.25 0.01 0.50 2.35 -0.57 0.00 0.00 179.45 181.49 1jik h TRP 11 N -0.80 0.85 -0.00 -1.35 7.01 0.08 0.17 115.95 121.91 1jik h TRP 11 Ca -0.04 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1jik h TRP 11 Cb 0.51 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1jik h TRP 11 CO 0.04 0.06 -0.20 0.54 -2.79 0.00 0.00 178.44 176.09 1jik n ARG 12 N -4.93 0.03 -1.32 2.65 1.74 0.05 -4.93 116.66 109.95 1jik n ARG 12 Ca 0.23 -0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.27 1jik n ARG 12 Cb 0.64 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.57 1jik n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jik n GLY 13 N 1.49 0.55 0.00 -0.13 0.00 0.61 -4.70 105.19 103.01 1jik n GLY 13 Ca 0.07 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.24 1jik n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jik n LEU 14 N -0.41 0.00 -4.25 0.99 4.77 -0.34 -4.70 117.00 113.05 1jik n LEU 14 Ca -0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.63 1jik n LEU 14 Cb 0.21 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1jik n LEU 14 CO 0.05 0.00 -0.56 -0.63 -1.33 0.00 0.00 177.39 174.92 1jik s ILE 15 N -2.00 2.10 0.00 -0.08 1.01 -1.26 -4.24 121.20 116.73 1jik s ILE 15 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1jik s ILE 15 Cb 0.05 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1jik s ILE 15 CO 0.09 0.56 0.00 0.00 0.00 0.00 0.00 174.94 175.59 1jik n TYR 16 N 3.21 0.00 -4.00 3.97 9.36 0.54 -4.79 117.16 125.44 1jik n TYR 16 Ca -0.18 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.76 1jik n TYR 16 Cb 0.52 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.19 1jik n TYR 16 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1jik s GLN 17 N -0.44 3.16 -0.16 2.98 -0.21 -1.23 -4.92 119.66 118.83 1jik s GLN 17 Ca 0.00 -0.67 -0.13 0.00 0.02 0.00 0.00 55.36 54.58 1jik s GLN 17 Cb 0.00 -2.83 0.04 0.00 1.00 0.00 0.00 33.01 31.22 1jik s GLN 17 CO 0.00 0.54 0.42 -0.65 -2.12 0.00 0.00 175.29 173.47 1jik s GLN 18 N -2.87 0.47 0.11 2.91 -0.21 -1.26 -0.52 119.66 118.28 1jik s GLN 18 Ca 0.32 0.62 -0.06 0.00 0.02 0.00 0.00 55.36 56.27 1jik s GLN 18 Cb -0.11 0.18 -0.15 0.00 1.00 0.00 0.00 33.01 33.93 1jik s GLN 18 CO 0.25 -0.08 1.25 1.79 -2.12 0.00 0.00 175.29 176.39 1jik h THR 19 N 4.70 1.40 -1.95 -0.19 1.35 -1.64 -3.42 112.91 113.15 1jik h THR 19 Ca -0.29 -2.54 -0.28 0.00 -0.55 0.00 0.00 66.41 62.75 1jik h THR 19 Cb 1.18 2.53 -0.31 0.00 -1.73 0.00 0.00 68.15 69.82 1jik h THR 19 CO 0.25 0.76 -0.60 -0.62 -0.25 0.00 0.00 175.52 175.06 1jik s ASP 20 N -7.14 1.13 0.37 5.36 -1.08 -1.26 -5.03 116.67 109.01 1jik s ASP 20 Ca -0.06 -0.70 0.10 0.00 -0.52 0.00 0.00 52.55 51.37 1jik s ASP 20 Cb 0.08 0.75 0.73 0.00 -1.46 0.00 0.00 42.92 43.02 1jik s ASP 20 CO 0.88 -0.36 1.87 -0.08 0.52 0.00 0.00 175.17 178.00 1jik h GLU 21 N 8.10 0.21 0.20 4.34 4.81 -1.98 -2.22 114.58 128.03 1jik h GLU 21 Ca -0.10 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1jik h GLU 21 Cb 1.09 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1jik h GLU 21 CO 0.29 0.41 -0.09 1.96 -0.73 0.00 0.00 179.01 180.85 1jik h GLN 22 N 0.19 -0.26 -1.12 1.92 1.08 -1.99 -2.95 115.11 111.99 1jik h GLN 22 Ca 0.03 0.02 0.43 0.00 -1.45 0.00 0.00 58.65 57.68 1jik h GLN 22 Cb 0.47 0.06 -0.15 0.00 -0.05 0.00 0.00 27.48 27.81 1jik h GLN 22 CO 0.03 -0.17 0.67 0.41 -0.95 0.00 0.00 178.83 178.82 1jik n GLY 23 N 0.90 -0.76 0.17 3.46 0.00 -1.24 -0.06 105.19 107.67 1jik n GLY 23 Ca -0.03 0.75 -0.11 0.00 0.00 0.00 0.00 46.02 46.63 1jik n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jik h ILE 24 N 0.00 0.64 -0.48 -0.61 2.04 -1.50 -1.62 117.51 115.97 1jik h ILE 24 Ca 0.82 -0.94 0.10 0.00 1.00 0.00 0.00 64.86 65.84 1jik h ILE 24 Cb 2.41 1.05 -0.09 0.00 -0.74 0.00 0.00 36.82 39.45 1jik h ILE 24 CO -0.60 0.16 -0.09 -0.33 0.00 0.00 0.00 178.15 177.29 1jik h GLU 25 N -0.91 0.03 -0.28 2.37 5.08 -0.29 0.43 114.58 121.01 1jik h GLU 25 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jik h GLU 25 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1jik h GLU 25 CO 0.05 0.02 0.18 -0.44 -1.00 0.00 0.00 179.01 177.82 1jik h ASP 26 N 0.03 0.32 0.35 1.42 3.32 -0.95 -2.11 116.42 118.79 1jik h ASP 26 Ca 0.24 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1jik h ASP 26 Cb 0.36 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1jik h ASP 26 CO -0.47 0.25 -0.17 0.25 -1.72 0.00 0.00 179.24 177.39 1jik h LEU 27 N 0.37 -0.39 -2.97 1.55 7.12 -0.18 0.11 115.31 120.92 1jik h LEU 27 Ca 0.10 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1jik h LEU 27 Cb -0.02 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 1jik h LEU 27 CO -0.02 -0.27 0.01 -0.07 -0.13 0.00 0.00 178.44 177.96 1jik h LEU 28 N -0.48 0.00 0.00 2.25 3.38 -0.17 -2.55 115.31 117.74 1jik h LEU 28 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1jik h LEU 28 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1jik h LEU 28 CO 0.08 0.00 -0.61 0.78 0.09 0.00 0.00 178.44 178.78 1jik h ASN 29 N 0.00 0.00 0.07 -0.43 2.35 -0.98 -3.42 115.58 113.16 1jik h ASN 29 Ca 0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1jik h ASN 29 Cb 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1jik h ASN 29 CO -0.00 0.89 -0.04 0.11 -1.65 0.00 0.00 177.43 176.74 1jik h LYS 30 N -1.00 0.00 0.00 0.81 1.57 -0.68 -3.48 116.57 113.79 1jik h LYS 30 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1jik h LYS 30 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1jik h LYS 30 CO -0.04 0.04 0.00 -0.85 -0.57 0.00 0.00 179.45 178.02 1jik n GLU 31 N -4.10 0.00 -3.69 3.15 0.28 -0.97 -5.07 120.64 110.25 1jik n GLU 31 Ca -0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.59 1jik n GLU 31 Cb 0.12 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.87 1jik n GLU 31 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1jik s GLN 32 N -1.98 3.07 0.28 3.44 -0.21 -1.26 -4.74 119.66 118.26 1jik s GLN 32 Ca 0.00 -0.89 -0.28 0.00 0.02 0.00 0.00 55.36 54.21 1jik s GLN 32 Cb 0.00 -3.52 -0.09 0.00 1.00 0.00 0.00 33.01 30.40 1jik s GLN 32 CO 0.00 -0.51 0.95 0.08 -2.12 0.00 0.00 175.29 173.69 1jik s VAL 33 N 1.54 4.10 -0.27 1.09 1.01 -1.26 -4.88 120.40 121.73 1jik s VAL 33 Ca 0.03 1.94 -0.06 0.00 0.00 0.00 0.00 61.98 63.88 1jik s VAL 33 Cb -0.18 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 1jik s VAL 33 CO 0.05 0.33 0.05 -0.89 0.00 0.00 0.00 175.10 174.64 1jik s THR 34 N -1.37 3.95 0.29 3.92 2.01 -1.26 -0.65 115.64 122.52 1jik s THR 34 Ca 0.45 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.99 1jik s THR 34 Cb -0.23 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.28 1jik s THR 34 CO 0.29 0.22 0.03 -1.48 -0.69 0.00 0.00 174.62 172.98 1jik s LEU 35 N 1.53 2.19 0.05 4.42 2.34 -0.71 -1.82 118.68 126.68 1jik s LEU 35 Ca 0.04 -1.30 -0.14 0.00 0.06 0.00 0.00 54.13 52.79 1jik s LEU 35 Cb -0.16 -0.36 0.02 0.00 -0.56 0.00 0.00 46.19 45.13 1jik s LEU 35 CO 0.02 -0.55 0.32 -0.72 -1.06 0.00 0.00 176.35 174.35 1jik s TYR 36 N -3.32 -0.12 0.01 3.48 1.13 -0.80 -1.63 117.35 116.10 1jik s TYR 36 Ca 0.33 -0.03 0.01 0.00 -1.41 0.00 0.00 57.07 55.98 1jik s TYR 36 Cb 0.07 0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 41.03 1jik s TYR 36 CO 0.13 -0.52 -0.04 0.00 -2.51 0.00 0.00 175.55 172.61 1jik s GLY 38 N -0.64 1.83 -0.05 0.00 0.00 -1.26 -1.02 107.32 106.18 1jik s GLY 38 Ca -0.05 -1.85 -0.00 0.00 0.00 0.00 0.00 44.72 42.82 1jik s GLY 38 CO -0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 173.10 171.15 1jik s ALA 39 N -2.54 0.57 0.01 3.20 0.00 0.87 -4.93 121.76 118.94 1jik s ALA 39 Ca 0.29 -0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.98 1jik s ALA 39 Cb -0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1jik s ALA 39 CO 0.14 -0.25 0.78 -0.51 0.00 0.00 0.00 175.76 175.93 1jik s ASP 40 N 1.47 7.19 -1.23 0.00 1.01 -1.26 -1.76 116.67 122.09 1jik s ASP 40 Ca -0.03 1.43 -0.20 0.00 0.71 0.00 0.00 52.55 54.46 1jik s ASP 40 Cb -0.13 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.37 1jik s ASP 40 CO -0.03 -0.05 1.73 -2.16 0.21 0.00 0.00 175.17 174.86 1jik s PRO 41 N 0.29 3.68 -0.28 8.23 0.04 -1.26 -4.64 135.00 141.06 1jik s PRO 41 Ca 0.40 -1.69 0.08 0.00 0.04 0.00 0.00 61.00 59.83 1jik s PRO 41 Cb -0.20 -5.46 0.45 0.00 0.04 0.00 0.00 34.50 29.33 1jik s PRO 41 CO 0.23 -2.52 1.27 0.25 0.04 0.00 0.00 177.00 176.26 1jik n THR 42 N 6.72 2.46 -3.64 1.26 -2.24 -1.26 -4.62 114.28 112.95 1jik n THR 42 Ca 0.46 -3.64 -0.02 0.00 -2.27 0.00 0.00 64.05 58.57 1jik n THR 42 Cb 0.47 -0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 67.95 1jik n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jik s ALA 43 N -3.44 -2.13 -2.13 6.98 0.00 -1.26 -5.01 121.76 114.78 1jik s ALA 43 Ca 0.46 1.87 0.16 0.00 0.00 0.00 0.00 51.96 54.45 1jik s ALA 43 Cb 0.40 -1.55 0.63 0.00 0.00 0.00 0.00 23.12 22.60 1jik s ALA 43 CO -0.01 -0.23 1.45 -0.40 0.00 0.00 0.00 175.76 176.58 1jik n ASP 44 N 0.62 1.24 -3.68 0.00 3.85 -1.26 -4.57 116.55 112.74 1jik n ASP 44 Ca -0.01 -1.76 -0.10 0.00 -0.71 0.00 0.00 54.79 52.21 1jik n ASP 44 Cb 0.59 -0.11 -0.05 0.00 -1.35 0.00 0.00 41.12 40.20 1jik n ASP 44 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1jik s SER 45 N -1.37 -0.15 0.19 -1.12 0.15 -1.26 -2.96 113.70 107.18 1jik s SER 45 Ca 0.26 -0.39 0.07 0.00 0.70 0.00 0.00 55.95 56.58 1jik s SER 45 Cb 0.13 0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1jik s SER 45 CO 0.20 -0.82 0.08 -0.76 1.20 0.00 0.00 173.24 173.14 1jik s LEU 46 N -2.81 3.55 0.37 3.45 1.43 -1.26 -4.96 118.68 118.45 1jik s LEU 46 Ca 0.03 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1jik s LEU 46 Cb 0.03 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1jik s LEU 46 CO -0.12 0.05 0.15 -1.38 0.23 0.00 0.00 176.35 175.29 1jik s HIS 47 N -1.86 2.65 0.34 0.29 -3.43 -1.26 0.13 115.29 112.15 1jik s HIS 47 Ca 0.30 -0.47 0.16 0.00 -0.80 0.00 0.00 55.06 54.25 1jik s HIS 47 Cb -0.09 -1.76 0.88 0.00 -1.43 0.00 0.00 32.58 30.18 1jik s HIS 47 CO 0.21 0.28 1.43 -0.84 -2.00 0.00 0.00 174.74 173.82 1jik h ILE 48 N 1.51 0.00 0.00 -5.38 -2.65 -1.50 0.47 117.51 109.96 1jik h ILE 48 Ca -0.43 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.46 1jik h ILE 48 Cb 1.25 0.36 0.00 0.00 -2.05 0.00 0.00 36.82 36.38 1jik h ILE 48 CO 0.66 0.00 0.00 0.61 0.03 0.00 0.00 178.15 179.45 1jik n GLY 49 N -1.28 -1.34 0.00 0.16 0.00 -1.26 -2.83 105.19 98.64 1jik n GLY 49 Ca -0.01 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1jik n GLY 49 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jik n HIS 50 N -1.62 0.00 -0.04 1.61 8.25 0.16 -4.70 115.22 118.88 1jik n HIS 50 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 1jik n HIS 50 Cb 0.28 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 1jik n HIS 50 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1jik h LEU 51 N 0.00 0.22 -0.59 2.41 5.85 -1.61 -3.36 115.31 118.24 1jik h LEU 51 Ca 0.00 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.59 1jik h LEU 51 Cb 0.55 -0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 1jik h LEU 51 CO 0.00 0.41 -0.14 0.25 -0.34 0.00 0.00 178.44 178.62 1jik h LEU 52 N 0.02 -0.53 -1.04 2.25 5.85 -1.84 0.05 115.31 120.06 1jik h LEU 52 Ca 0.04 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1jik h LEU 52 Cb 0.28 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1jik h LEU 52 CO 0.00 -0.19 0.59 -0.65 -0.34 0.00 0.00 178.44 177.86 1jik h PRO 53 N 0.01 1.24 -0.06 5.25 0.11 -1.92 -0.45 132.00 136.18 1jik h PRO 53 Ca 0.28 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 1jik h PRO 53 Cb 0.44 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1jik h PRO 53 CO -0.60 0.84 -0.11 0.74 -0.21 0.00 0.00 178.00 178.66 1jik h PHE 54 N 1.27 0.23 -0.72 0.65 0.04 -1.57 -2.96 116.94 113.88 1jik h PHE 54 Ca 0.34 -0.08 0.15 0.00 2.80 0.00 0.00 57.97 61.18 1jik h PHE 54 Cb -0.11 -0.04 -0.11 0.00 2.20 0.00 0.00 35.95 37.89 1jik h PHE 54 CO 0.00 0.70 0.15 1.25 -0.60 0.00 0.00 178.31 179.82 1jik h LEU 55 N -0.31 -0.03 -2.14 1.54 6.46 -0.78 0.37 115.31 120.42 1jik h LEU 55 Ca 0.00 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1jik h LEU 55 Cb 0.69 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1jik h LEU 55 CO 0.02 -0.05 0.00 0.74 -0.62 0.00 0.00 178.44 178.54 1jik h THR 56 N 0.25 0.00 -0.02 1.05 2.02 -1.01 -0.11 112.91 115.09 1jik h THR 56 Ca 0.40 -0.11 -0.24 0.00 0.77 0.00 0.00 66.41 67.23 1jik h THR 56 Cb 0.67 0.96 0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1jik h THR 56 CO -0.51 0.00 -0.97 -0.07 0.37 0.00 0.00 175.52 174.34 1jik h LEU 57 N 0.00 0.74 -0.27 2.58 3.38 -0.10 -3.22 115.31 118.42 1jik h LEU 57 Ca 0.00 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.44 1jik h LEU 57 Cb 0.12 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1jik h LEU 57 CO 0.00 1.37 0.01 0.03 0.09 0.00 0.00 178.44 179.94 1jik h ARG 58 N 0.33 0.09 -0.76 1.13 2.47 -0.83 -0.98 114.38 115.84 1jik h ARG 58 Ca -0.10 -0.01 0.17 0.00 -1.26 0.00 0.00 59.98 58.78 1jik h ARG 58 Cb 1.61 -0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 29.79 1jik h ARG 58 CO 0.18 0.06 0.19 0.00 0.56 0.00 0.00 179.97 180.96 1jik h ARG 59 N 0.09 0.26 -0.27 0.04 3.08 -1.57 0.12 114.38 116.13 1jik h ARG 59 Ca 0.13 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1jik h ARG 59 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1jik h ARG 59 CO -0.21 0.17 -0.06 0.74 -1.07 0.00 0.00 179.97 179.54 1jik h PHE 60 N 0.27 0.44 0.19 3.04 -1.00 -1.21 -2.91 116.94 115.75 1jik h PHE 60 Ca 0.43 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 61.15 1jik h PHE 60 Cb 0.75 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.19 1jik h PHE 60 CO -0.26 0.49 -0.09 0.37 -1.61 0.00 0.00 178.31 177.21 1jik h GLN 61 N 0.41 -0.24 -0.97 1.51 4.15 -0.24 -2.69 115.11 117.03 1jik h GLN 61 Ca 0.08 0.02 0.31 0.00 0.77 0.00 0.00 58.65 59.84 1jik h GLN 61 Cb 0.37 0.05 -0.17 0.00 0.21 0.00 0.00 27.48 27.94 1jik h GLN 61 CO 0.02 -0.06 0.28 0.93 -1.93 0.00 0.00 178.83 178.06 1jik h GLU 62 N -0.37 0.07 -0.34 1.69 4.39 -1.09 1.10 114.58 120.03 1jik h GLU 62 Ca -0.03 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1jik h GLU 62 Cb 0.29 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1jik h GLU 62 CO 0.04 0.05 0.00 0.72 -1.16 0.00 0.00 179.01 178.66 1jik n HIS 63 N -5.33 0.20 -0.32 4.33 8.25 -1.15 -4.85 115.22 116.36 1jik n HIS 63 Ca 0.28 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1jik n HIS 63 Cb 0.93 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.99 1jik n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jik n GLY 64 N 0.53 0.81 3.97 -1.41 0.00 0.38 -5.09 105.19 104.37 1jik n GLY 64 Ca 0.04 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1jik n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jik s HIS 65 N -2.00 3.12 -0.26 1.61 3.76 -1.03 -4.80 115.29 115.69 1jik s HIS 65 Ca 0.00 0.06 -0.04 0.00 -0.15 0.00 0.00 55.06 54.94 1jik s HIS 65 Cb 0.00 -2.31 0.02 0.00 1.11 0.00 0.00 32.58 31.39 1jik s HIS 65 CO 0.00 -0.36 -0.01 0.50 -0.85 0.00 0.00 174.74 174.01 1jik s ARG 66 N -4.49 3.00 0.36 1.40 3.52 0.18 -4.23 118.95 118.69 1jik s ARG 66 Ca 0.49 -0.89 -0.16 0.00 -0.13 0.00 0.00 55.73 55.04 1jik s ARG 66 Cb -0.10 -3.11 -0.09 0.00 -1.56 0.00 0.00 34.95 30.08 1jik s ARG 66 CO 0.36 -0.38 0.80 -1.25 -0.81 0.00 0.00 175.30 174.02 1jik s PRO 67 N 1.40 4.05 -0.15 5.12 0.04 -1.26 -1.74 135.00 142.46 1jik s PRO 67 Ca 0.02 0.78 -0.00 0.00 0.04 0.00 0.00 61.00 61.84 1jik s PRO 67 Cb -0.16 -2.36 0.04 0.00 0.04 0.00 0.00 34.50 32.05 1jik s PRO 67 CO -0.02 0.09 -0.07 0.42 0.04 0.00 0.00 177.00 177.47 1jik s ILE 68 N -2.06 1.15 -0.30 0.56 1.01 -0.64 -1.69 121.20 119.23 1jik s ILE 68 Ca 0.56 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 1jik s ILE 68 Cb -0.10 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1jik s ILE 68 CO 0.17 0.21 0.37 -0.69 0.00 0.00 0.00 174.94 175.00 1jik s VAL 69 N 1.63 5.16 -0.22 2.92 1.01 0.10 -2.30 120.40 128.71 1jik s VAL 69 Ca 0.02 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1jik s VAL 69 Cb -0.15 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1jik s VAL 69 CO -0.08 0.04 0.14 -0.22 0.00 0.00 0.00 175.10 174.98 1jik s LEU 70 N 2.07 4.16 -0.22 3.92 0.20 -0.18 -2.19 118.68 126.44 1jik s LEU 70 Ca 0.14 0.17 -0.05 0.00 0.69 0.00 0.00 54.13 55.07 1jik s LEU 70 Cb -0.16 -2.10 -0.02 0.00 -0.43 0.00 0.00 46.19 43.48 1jik s LEU 70 CO 0.11 0.12 0.00 -0.63 -0.29 0.00 0.00 176.35 175.66 1jik s ILE 71 N 0.72 3.87 -1.22 6.68 1.01 -0.40 -0.09 121.20 131.76 1jik s ILE 71 Ca 0.08 -0.33 -0.16 0.00 0.00 0.00 0.00 60.65 60.23 1jik s ILE 71 Cb -0.12 -2.76 0.12 0.00 0.01 0.00 0.00 42.46 39.70 1jik s ILE 71 CO 0.01 0.41 1.55 -0.83 0.00 0.00 0.00 174.94 176.08 1jik s GLY 72 N 1.25 1.98 0.05 6.18 0.00 -0.72 -1.92 107.32 114.13 1jik s GLY 72 Ca 0.04 -3.07 -0.19 0.00 0.00 0.00 0.00 44.72 41.49 1jik s GLY 72 CO 0.01 2.38 1.37 -1.33 0.00 0.00 0.00 173.10 175.53 1jik h GLY 73 N 11.17 0.45 0.57 0.20 0.00 -1.89 -2.07 103.07 111.50 1jik h GLY 73 Ca 0.36 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1jik h GLY 73 CO 1.34 0.41 -0.07 -1.33 0.00 0.00 0.00 176.54 176.88 1jik h GLY 74 N 0.07 -0.22 2.00 4.60 0.00 -1.86 -3.28 103.07 104.38 1jik h GLY 74 Ca 0.03 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 1jik h GLY 74 CO 0.04 -0.08 -0.30 -0.91 0.00 0.00 0.00 176.54 175.29 1jik h THR 75 N -0.64 1.02 0.00 4.70 1.35 -1.92 -2.44 112.91 114.98 1jik h THR 75 Ca -0.02 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1jik h THR 75 Cb 0.47 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1jik h THR 75 CO 0.04 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1jik n GLY 76 N -0.43 -0.77 0.13 5.82 0.00 -0.78 -1.66 105.19 107.50 1jik n GLY 76 Ca -0.02 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1jik n GLY 76 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jik h MET 77 N 0.00 0.31 0.00 1.61 2.86 -1.52 -3.44 114.93 114.76 1jik h MET 77 Ca 0.00 -0.54 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1jik h MET 77 Cb 0.05 0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1jik h MET 77 CO 0.00 1.20 0.00 -0.89 1.06 0.00 0.00 176.91 178.28 1jik n ILE 78 N -3.51 0.00 0.00 -1.22 2.08 -0.66 -4.37 119.36 111.68 1jik n ILE 78 Ca -0.20 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.11 1jik n ILE 78 Cb 1.06 -0.10 0.00 0.00 -0.75 0.00 0.00 39.64 39.85 1jik n ILE 78 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1jik n GLY 79 N 3.63 2.70 3.66 7.39 0.00 -1.18 -4.63 105.19 116.76 1jik n GLY 79 Ca 0.00 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1jik n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jik s ASP 80 N 0.00 6.49 0.00 1.61 2.15 -1.26 -4.86 116.67 120.80 1jik s ASP 80 Ca 0.00 0.58 0.13 0.00 0.43 0.00 0.00 52.55 53.69 1jik s ASP 80 Cb 0.00 -2.27 0.42 0.00 -0.30 0.00 0.00 42.92 40.77 1jik s ASP 80 CO 0.00 -0.15 1.32 -0.81 -0.17 0.00 0.00 175.17 175.36 1jik n PRO 81 N 4.78 1.69 -2.09 4.34 -0.04 -1.26 -4.88 135.00 137.53 1jik n PRO 81 Ca -0.06 -1.07 -0.42 0.00 -0.04 0.00 0.00 63.50 61.91 1jik n PRO 81 Cb 0.51 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 1jik n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1jik s SER 82 N -1.16 6.75 -0.03 3.54 0.01 -1.26 -1.54 113.70 120.01 1jik s SER 82 Ca 0.24 2.40 0.00 0.00 1.31 0.00 0.00 55.95 59.89 1jik s SER 82 Cb 0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1jik s SER 82 CO 0.17 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.71 1jik n GLY 83 N 3.61 0.38 3.96 3.44 0.00 -1.26 -5.01 105.19 110.31 1jik n GLY 83 Ca 0.13 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1jik n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jik s LYS 84 N -0.64 3.45 -0.03 1.61 -0.14 -0.59 -5.05 119.74 118.36 1jik s LYS 84 Ca 0.00 -0.63 0.02 0.00 -1.36 0.00 0.00 55.97 54.00 1jik s LYS 84 Cb 0.00 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 1jik s LYS 84 CO 0.00 0.36 0.00 0.45 -0.76 0.00 0.00 175.35 175.40 1jik n SER 85 N -1.47 4.17 -4.59 2.83 2.88 -1.26 -3.89 113.62 112.29 1jik n SER 85 Ca -0.08 -0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.19 1jik n SER 85 Cb 0.57 0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 64.35 1jik n SER 85 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1jik s GLU 86 N -2.07 1.92 0.10 -1.46 0.41 -1.26 -4.82 118.70 111.52 1jik s GLU 86 Ca -0.02 -1.97 -0.31 0.00 -0.41 0.00 0.00 54.97 52.26 1jik s GLU 86 Cb 0.01 -1.73 -0.08 0.00 -1.78 0.00 0.00 34.13 30.55 1jik s GLU 86 CO 0.11 0.06 1.53 -1.21 -0.49 0.00 0.00 175.26 175.26 1jik s GLU 87 N -3.67 4.24 -0.60 1.61 0.41 -1.26 -4.93 118.70 114.50 1jik s GLU 87 Ca 0.34 2.23 -0.28 0.00 -0.41 0.00 0.00 54.97 56.85 1jik s GLU 87 Cb 0.05 -3.38 0.03 0.00 -1.78 0.00 0.00 34.13 29.05 1jik s GLU 87 CO 0.18 -0.61 1.27 1.03 -0.49 0.00 0.00 175.26 176.64 1jik s ARG 88 N 1.79 3.40 0.39 1.61 1.81 -1.26 -4.96 118.95 121.74 1jik s ARG 88 Ca 0.69 0.24 -0.27 0.00 -1.72 0.00 0.00 55.73 54.66 1jik s ARG 88 Cb -0.39 -4.07 -0.11 0.00 -0.45 0.00 0.00 34.95 29.93 1jik s ARG 88 CO 0.31 -1.83 1.45 1.33 -0.68 0.00 0.00 175.30 175.87 1jik n VAL 89 N 6.68 2.17 -2.99 3.52 0.24 -1.26 -4.84 118.33 121.85 1jik n VAL 89 Ca 0.09 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.49 1jik n VAL 89 Cb 0.49 -1.89 -0.05 0.00 -1.47 0.00 0.00 33.84 30.92 1jik n VAL 89 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1jik s LEU 90 N -2.04 4.49 0.56 1.34 0.05 -1.26 -4.99 118.68 116.83 1jik s LEU 90 Ca 0.55 1.49 -0.01 0.00 0.05 0.00 0.00 54.13 56.21 1jik s LEU 90 Cb -0.48 -3.23 0.03 0.00 -2.05 0.00 0.00 46.19 40.45 1jik s LEU 90 CO 0.62 0.08 0.80 0.00 -0.55 0.00 0.00 176.35 177.30 1jik s GLN 91 N -0.38 2.65 0.49 1.48 0.00 -1.26 -5.09 119.66 117.55 1jik s GLN 91 Ca 0.37 -0.53 -0.20 0.00 -0.00 0.00 0.00 55.36 55.00 1jik s GLN 91 Cb -0.21 -2.43 -0.08 0.00 0.00 0.00 0.00 33.01 30.29 1jik s GLN 91 CO 0.24 -0.70 1.04 0.95 0.00 0.00 0.00 175.29 176.82 1jik s THR 92 N -2.82 3.78 0.23 3.63 -4.23 -1.26 -4.89 115.64 110.07 1jik s THR 92 Ca 0.55 1.11 0.21 0.00 -1.18 0.00 0.00 61.69 62.38 1jik s THR 92 Cb -0.10 -3.45 0.21 0.00 1.34 0.00 0.00 72.50 70.49 1jik s THR 92 CO 0.40 -0.23 1.58 -0.33 -0.54 0.00 0.00 174.62 175.50 1jik h GLU 93 N 1.57 0.00 0.00 3.99 3.07 -1.98 -0.76 114.58 120.46 1jik h GLU 93 Ca -0.49 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.30 1jik h GLU 93 Cb 1.22 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1jik h GLU 93 CO 0.59 0.00 -0.44 0.93 -1.40 0.00 0.00 179.01 178.69 1jik h GLU 94 N 0.00 0.00 -0.93 2.33 3.07 -1.99 -3.14 114.58 113.91 1jik h GLU 94 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 59.36 58.99 1jik h GLU 94 Cb 0.53 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.35 1jik h GLU 94 CO 0.00 0.69 0.55 1.96 -1.40 0.00 0.00 179.01 180.81 1jik h GLN 95 N -1.00 0.80 0.85 2.33 4.20 -1.52 -0.77 115.11 120.00 1jik h GLN 95 Ca -0.10 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1jik h GLN 95 Cb 0.85 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.46 1jik h GLN 95 CO -0.06 0.53 -0.41 0.28 -0.67 0.00 0.00 178.83 178.49 1jik h VAL 96 N 0.82 0.16 -1.20 -0.54 2.07 -1.61 -1.09 116.25 114.86 1jik h VAL 96 Ca 0.49 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.38 1jik h VAL 96 Cb 0.58 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.38 1jik h VAL 96 CO -0.31 0.00 0.76 -0.78 0.02 0.00 0.00 177.57 177.26 1jik h ASP 97 N -1.15 0.33 0.32 0.57 1.82 -1.13 0.14 116.42 117.32 1jik h ASP 97 Ca -0.12 0.13 -0.33 0.00 -0.39 0.00 0.00 57.03 56.33 1jik h ASP 97 Cb 0.88 0.10 0.02 0.00 0.68 0.00 0.00 39.33 41.01 1jik h ASP 97 CO 0.19 -0.11 -1.55 0.11 -1.61 0.00 0.00 179.24 176.27 1jik h LYS 98 N 0.19 0.41 0.18 0.28 6.56 -0.94 -3.23 116.57 120.02 1jik h LYS 98 Ca 0.75 -0.69 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1jik h LYS 98 Cb 2.18 0.26 0.00 0.00 -0.57 0.00 0.00 32.23 34.10 1jik h LYS 98 CO -0.41 1.31 -0.09 -0.91 -2.06 0.00 0.00 179.45 177.29 1jik h ASN 99 N 0.11 -0.21 -0.89 0.86 -0.26 0.18 -0.94 115.58 114.43 1jik h ASN 99 Ca -0.27 0.00 0.24 0.00 -0.56 0.00 0.00 56.30 55.72 1jik h ASN 99 Cb 2.10 0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 39.36 1jik h ASN 99 CO 0.21 -0.14 0.63 0.40 -1.06 0.00 0.00 177.43 177.47 1jik h ILE 100 N -0.25 0.59 -0.19 2.81 2.04 -1.19 0.14 117.51 121.46 1jik h ILE 100 Ca -0.02 -0.04 -0.21 0.00 1.00 0.00 0.00 64.86 65.58 1jik h ILE 100 Cb 0.19 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1jik h ILE 100 CO 0.04 0.02 -0.71 -0.33 0.00 0.00 0.00 178.15 177.17 1jik h GLU 101 N 0.12 0.83 0.26 2.37 5.08 -1.20 -2.16 114.58 119.87 1jik h GLU 101 Ca 0.44 -0.63 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1jik h GLU 101 Cb 1.55 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1jik h GLU 101 CO -0.06 1.24 -0.12 0.78 -1.00 0.00 0.00 179.01 179.85 1jik h GLY 102 N 0.58 -0.36 0.63 -3.84 0.00 -0.24 -3.00 103.07 96.84 1jik h GLY 102 Ca -0.03 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.47 1jik h GLY 102 CO 0.15 -0.13 0.01 -2.22 0.00 0.00 0.00 176.54 174.35 1jik h ILE 103 N -0.83 0.83 -0.85 2.60 2.04 -1.07 -2.56 117.51 117.67 1jik h ILE 103 Ca -0.04 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.94 1jik h ILE 103 Cb 0.51 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 1jik h ILE 103 CO 0.06 0.02 0.55 -1.28 0.00 0.00 0.00 178.15 177.50 1jik h SER 104 N 0.09 0.56 0.39 1.72 0.87 -1.48 -0.97 113.55 114.74 1jik h SER 104 Ca 0.12 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1jik h SER 104 Cb 0.15 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1jik h SER 104 CO -0.19 0.29 -0.20 0.50 -0.53 0.00 0.00 176.83 176.70 1jik h LYS 105 N 0.60 -0.52 -0.11 2.24 3.64 -1.31 -2.91 116.57 118.20 1jik h LYS 105 Ca 0.42 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.87 1jik h LYS 105 Cb 0.77 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1jik h LYS 105 CO -0.18 -0.35 0.08 1.96 -2.27 0.00 0.00 179.45 178.69 1jik h GLN 106 N -0.54 0.00 0.00 1.90 4.20 -1.02 -0.84 115.11 118.80 1jik h GLN 106 Ca -0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1jik h GLN 106 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1jik h GLN 106 CO 0.08 0.00 -0.24 0.52 -0.67 0.00 0.00 178.83 178.52 1jik h MET 107 N 0.00 0.00 0.00 1.46 2.86 -1.15 -2.75 114.93 115.34 1jik h MET 107 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1jik h MET 107 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1jik h MET 107 CO -0.00 0.24 0.00 0.45 1.06 0.00 0.00 176.91 178.66 1jik h HIS 108 N 0.00 0.00 0.00 -0.22 3.86 -1.09 -1.89 115.15 115.81 1jik h HIS 108 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jik h HIS 108 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1jik h HIS 108 CO 0.00 0.00 -1.15 -1.71 0.86 0.00 0.00 177.93 175.93 1jik n ASN 109 N -2.39 0.57 -0.01 2.45 5.15 -1.04 -4.16 115.26 115.84 1jik n ASN 109 Ca 0.03 -0.14 0.09 0.00 -0.60 0.00 0.00 54.58 53.95 1jik n ASN 109 Cb 0.29 0.92 -0.14 0.00 -0.53 0.00 0.00 39.78 40.33 1jik n ASN 109 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jik n ILE 110 N -2.07 0.00 -4.18 -1.44 5.41 -1.12 -4.98 119.36 110.98 1jik n ILE 110 Ca 0.01 -0.36 -0.11 0.00 1.00 0.00 0.00 62.75 63.30 1jik n ILE 110 Cb 0.46 0.26 -0.10 0.00 -0.71 0.00 0.00 39.64 39.55 1jik n ILE 110 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1jik s PHE 111 N -3.17 0.95 -0.57 1.39 0.08 -0.73 -4.99 117.98 110.94 1jik s PHE 111 Ca -0.04 -1.15 -0.05 0.00 0.12 0.00 0.00 56.93 55.81 1jik s PHE 111 Cb 0.12 -0.55 0.15 0.00 -0.57 0.00 0.00 43.02 42.17 1jik s PHE 111 CO 0.77 -0.41 0.40 -2.00 -0.10 0.00 0.00 175.22 173.88 1jik s GLU 112 N -4.00 2.52 0.35 0.44 2.56 -1.26 -4.56 118.70 114.76 1jik s GLU 112 Ca 0.23 -2.24 -0.15 0.00 0.00 0.00 0.00 54.97 52.81 1jik s GLU 112 Cb 0.07 -3.79 -0.09 0.00 2.00 0.00 0.00 34.13 32.32 1jik s GLU 112 CO 0.02 -1.17 0.77 -0.06 -0.56 0.00 0.00 175.26 174.27 1jik s PHE 113 N 0.46 3.38 0.00 5.30 0.08 -1.26 -4.23 117.98 121.71 1jik s PHE 113 Ca 0.13 1.25 0.00 0.00 0.12 0.00 0.00 56.93 58.43 1jik s PHE 113 Cb -0.21 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.67 1jik s PHE 113 CO -0.04 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 1jik n GLY 114 N -0.58 0.80 3.91 4.36 0.00 -1.26 -5.08 105.19 107.34 1jik n GLY 114 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1jik n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jik s THR 115 N -2.00 1.99 -0.00 2.61 -4.23 -1.26 -4.99 115.64 107.76 1jik s THR 115 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1jik s THR 115 Cb 0.00 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.73 1jik s THR 115 CO 0.00 0.00 1.20 0.44 -0.54 0.00 0.00 174.62 175.72 1jik h ASP 116 N -1.38 0.00 0.00 3.99 3.45 -1.98 -3.41 116.42 117.10 1jik h ASP 116 Ca -0.45 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 56.97 1jik h ASP 116 Cb 1.28 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.98 1jik h ASP 116 CO 0.52 0.82 -0.57 1.41 -1.57 0.00 0.00 179.24 179.86 1jik n HIS 117 N -3.23 0.00 0.00 4.55 8.25 -1.26 -5.09 115.22 118.44 1jik n HIS 117 Ca -0.03 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1jik n HIS 117 Cb 0.89 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.96 1jik n HIS 117 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jik n GLY 118 N 0.10 1.29 3.74 -1.41 0.00 -1.26 -4.96 105.19 102.68 1jik n GLY 118 Ca 0.01 -1.26 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 1jik n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jik s ALA 119 N -3.47 3.56 0.00 4.61 0.00 -1.26 -4.73 121.76 120.48 1jik s ALA 119 Ca 0.00 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1jik s ALA 119 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1jik s ALA 119 CO 0.00 -0.60 -0.04 0.14 0.00 0.00 0.00 175.76 175.26 1jik s VAL 120 N 0.21 3.83 -0.21 0.00 -7.23 -0.68 -4.40 120.40 111.91 1jik s VAL 120 Ca 0.58 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 60.04 1jik s VAL 120 Cb -0.38 -2.68 0.04 0.00 0.56 0.00 0.00 36.38 33.92 1jik s VAL 120 CO 0.38 0.38 -0.14 -0.22 -0.31 0.00 0.00 175.10 175.19 1jik s LEU 121 N -1.49 2.55 0.41 1.32 2.96 -1.26 -0.72 118.68 122.44 1jik s LEU 121 Ca 0.18 -0.94 0.07 0.00 -0.22 0.00 0.00 54.13 53.22 1jik s LEU 121 Cb -0.11 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 45.12 1jik s LEU 121 CO 0.09 -0.11 0.15 0.68 -1.32 0.00 0.00 176.35 175.84 1jik s VAL 122 N 1.28 2.30 -0.08 1.68 -7.23 -0.93 -4.98 120.40 112.44 1jik s VAL 122 Ca -0.01 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1jik s VAL 122 Cb -0.16 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.82 1jik s VAL 122 CO -0.09 -0.02 -0.01 0.21 -0.31 0.00 0.00 175.10 174.88 1jik s ASN 123 N -3.87 1.68 0.36 4.85 3.84 -1.26 -1.28 114.94 119.27 1jik s ASN 123 Ca 0.40 -0.12 0.27 0.00 0.21 0.00 0.00 52.86 53.62 1jik s ASN 123 Cb 0.04 -0.51 1.20 0.00 -0.55 0.00 0.00 41.25 41.43 1jik s ASN 123 CO 0.22 -0.18 1.81 -0.55 -2.79 0.00 0.00 177.10 175.61 1jik h ASN 124 N 8.29 0.00 0.48 -4.21 7.08 -1.75 -1.66 115.58 123.82 1jik h ASN 124 Ca -0.21 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.99 1jik h ASN 124 Cb 1.13 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.36 1jik h ASN 124 CO 0.29 0.00 -0.08 -0.09 -2.08 0.00 0.00 177.43 175.47 1jik h ARG 125 N 0.00 0.00 -0.08 4.14 2.43 -1.87 -0.61 114.38 118.39 1jik h ARG 125 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1jik h ARG 125 Cb 0.32 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1jik h ARG 125 CO 0.00 0.08 0.07 -0.44 -1.51 0.00 0.00 179.97 178.17 1jik h ASP 126 N 0.00 0.00 0.00 -3.80 5.19 -1.69 -2.03 116.42 114.09 1jik h ASP 126 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1jik h ASP 126 Cb 0.34 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 1jik h ASP 126 CO 0.01 0.00 -1.34 -2.67 -3.12 0.00 0.00 179.24 172.12 1jik n TRP 127 N -4.22 0.00 0.20 4.55 2.14 -0.57 -4.64 117.44 114.91 1jik n TRP 127 Ca -0.01 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.64 1jik n TRP 127 Cb 0.18 -0.24 0.31 0.00 -0.81 0.00 0.00 31.31 30.74 1jik n TRP 127 CO 0.00 0.00 0.00 -0.07 2.07 0.00 0.00 177.69 179.69 1jik h LEU 128 N 0.00 0.00 -0.70 5.67 3.38 -1.19 -2.92 115.31 119.55 1jik h LEU 128 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jik h LEU 128 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1jik h LEU 128 CO 0.00 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1jik n GLY 129 N 0.56 -1.32 0.42 0.83 0.00 -0.76 -2.47 105.19 102.45 1jik n GLY 129 Ca 0.01 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1jik n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jik n GLN 130 N -2.28 1.06 -3.81 1.61 1.13 -1.10 -4.91 117.38 109.08 1jik n GLN 130 Ca 0.02 -0.84 -0.35 0.00 -1.94 0.00 0.00 57.00 53.89 1jik n GLN 130 Cb 0.24 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 29.03 1jik n GLN 130 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1jik s ILE 131 N -2.52 5.24 0.59 5.09 2.07 -1.03 -5.09 121.20 125.55 1jik s ILE 131 Ca 0.19 0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 1jik s ILE 131 Cb 0.18 -3.38 0.04 0.00 0.13 0.00 0.00 42.46 39.43 1jik s ILE 131 CO 0.58 0.45 0.84 -0.94 -1.91 0.00 0.00 174.94 173.96 1jik s SER 132 N 0.34 5.14 0.09 4.50 1.04 -1.26 -4.91 113.70 118.64 1jik s SER 132 Ca 0.07 0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.38 1jik s SER 132 Cb -0.11 -0.91 -0.10 0.00 0.10 0.00 0.00 66.02 65.00 1jik s SER 132 CO -0.01 -1.27 1.66 0.25 0.98 0.00 0.00 173.24 174.84 1jik h LEU 133 N -0.11 0.21 -0.44 2.42 7.12 -1.98 0.45 115.31 122.98 1jik h LEU 133 Ca -0.42 -0.12 -0.16 0.00 0.13 0.00 0.00 57.88 57.30 1jik h LEU 133 Cb 1.30 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.37 1jik h LEU 133 CO 0.54 0.28 -0.45 0.40 -0.13 0.00 0.00 178.44 179.08 1jik h ILE 134 N 0.14 1.28 -0.70 4.05 2.04 -1.99 -1.22 117.51 121.11 1jik h ILE 134 Ca 0.06 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 1jik h ILE 134 Cb 0.12 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1jik h ILE 134 CO -0.01 0.53 0.35 -1.28 0.00 0.00 0.00 178.15 177.75 1jik h SER 135 N 0.65 0.90 -0.04 1.72 0.87 -1.90 -2.35 113.55 113.39 1jik h SER 135 Ca 0.04 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1jik h SER 135 Cb 1.03 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1jik h SER 135 CO 0.10 0.77 -0.01 0.15 -0.53 0.00 0.00 176.83 177.31 1jik h PHE 136 N 0.97 0.08 -0.54 2.24 3.57 0.06 -0.80 116.94 122.51 1jik h PHE 136 Ca 0.24 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1jik h PHE 136 Cb 0.09 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1jik h PHE 136 CO 0.00 0.40 0.22 -0.07 -2.23 0.00 0.00 178.31 176.64 1jik h LEU 137 N -0.27 0.70 0.07 0.59 3.38 -1.13 -0.92 115.31 117.74 1jik h LEU 137 Ca 0.01 -0.08 -0.31 0.00 0.09 0.00 0.00 57.88 57.59 1jik h LEU 137 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1jik h LEU 137 CO 0.00 0.62 -1.64 0.03 0.09 0.00 0.00 178.44 177.55 1jik h ARG 138 N 0.76 0.15 0.05 1.13 3.08 -1.37 -2.28 114.38 115.91 1jik h ARG 138 Ca 0.19 -0.26 -0.28 0.00 0.07 0.00 0.00 59.98 59.69 1jik h ARG 138 Cb 0.14 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1jik h ARG 138 CO -0.02 0.92 -1.50 -0.44 -1.07 0.00 0.00 179.97 177.86 1jik h ASP 139 N 0.04 0.17 0.00 7.04 3.32 -1.18 -3.42 116.42 122.38 1jik h ASP 139 Ca -0.27 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1jik h ASP 139 Cb 2.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.49 1jik h ASP 139 CO 0.12 1.22 -0.71 -1.22 -1.72 0.00 0.00 179.24 176.93 1jik n TYR 140 N -3.29 0.00 -0.00 4.55 4.01 -0.86 -4.80 117.16 116.76 1jik n TYR 140 Ca -0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.61 1jik n TYR 140 Cb 1.02 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 40.38 1jik n TYR 140 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jik h GLY 141 N 0.00 0.58 1.42 2.72 0.00 -1.16 -2.02 103.07 104.60 1jik h GLY 141 Ca 0.00 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.08 1jik h GLY 141 CO 0.00 0.29 0.27 1.70 0.00 0.00 0.00 176.54 178.80 1jik h LYS 142 N 0.53 0.30 -0.66 4.80 1.63 -1.66 -2.38 116.57 119.12 1jik h LYS 142 Ca 0.12 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1jik h LYS 142 Cb 0.23 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1jik h LYS 142 CO -0.00 0.20 0.00 0.72 -3.45 0.00 0.00 179.45 176.91 1jik n HIS 143 N -4.48 0.92 -5.18 1.91 8.25 -0.76 -4.82 115.22 111.07 1jik n HIS 143 Ca 0.05 -0.35 -0.30 0.00 -0.26 0.00 0.00 57.72 56.86 1jik n HIS 143 Cb 0.24 -0.22 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 1jik n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jik s VAL 144 N -1.79 1.91 -0.09 1.59 1.01 -0.90 -4.84 120.40 117.29 1jik s VAL 144 Ca 0.28 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1jik s VAL 144 Cb 0.19 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1jik s VAL 144 CO 0.11 0.53 0.05 -0.83 0.00 0.00 0.00 175.10 174.97 1jik s GLY 145 N -0.25 1.96 0.36 4.51 0.00 -1.26 -4.99 107.32 107.65 1jik s GLY 145 Ca 0.00 -0.76 0.11 0.00 0.00 0.00 0.00 44.72 44.07 1jik s GLY 145 CO 0.02 -0.53 1.82 -2.08 0.00 0.00 0.00 173.10 172.33 1jik h VAL 146 N 4.02 1.26 -0.01 1.40 2.07 -1.99 -2.50 116.25 120.50 1jik h VAL 146 Ca -0.52 -1.23 -0.16 0.00 0.82 0.00 0.00 66.70 65.61 1jik h VAL 146 Cb 1.20 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1jik h VAL 146 CO 0.56 0.36 -0.73 0.78 0.02 0.00 0.00 177.57 178.56 1jik h ASN 147 N 0.06 0.11 0.46 0.57 2.35 -1.94 -0.10 115.58 117.09 1jik h ASN 147 Ca 0.01 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1jik h ASN 147 Cb 0.64 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1jik h ASN 147 CO 0.05 0.79 -0.22 0.22 -1.65 0.00 0.00 177.43 176.62 1jik h TYR 148 N 0.06 -0.58 -0.92 1.19 3.20 -1.89 -3.01 116.97 115.03 1jik h TYR 148 Ca -0.01 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.96 1jik h TYR 148 Cb 1.28 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 39.67 1jik h TYR 148 CO 0.01 -0.25 0.59 0.52 -1.64 0.00 0.00 178.16 177.38 1jik h MET 149 N -0.92 0.83 -6.91 1.82 2.86 -1.44 -3.35 114.93 107.82 1jik h MET 149 Ca -0.06 -0.05 -0.48 0.00 -2.06 0.00 0.00 59.70 57.05 1jik h MET 149 Cb 0.58 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 1jik h MET 149 CO 0.10 0.55 0.38 -0.51 1.06 0.00 0.00 176.91 178.49 1jik s LEU 150 N -9.97 4.29 0.00 1.22 2.01 -0.05 -2.88 118.68 113.30 1jik s LEU 150 Ca -0.11 1.94 0.00 0.00 0.01 0.00 0.00 54.13 55.97 1jik s LEU 150 Cb 0.21 -4.05 0.00 0.00 0.01 0.00 0.00 46.19 42.37 1jik s LEU 150 CO 0.80 -0.22 0.00 0.61 1.01 0.00 0.00 176.35 178.55 1jik n GLY 151 N 0.52 3.20 3.68 -3.19 0.00 -1.26 -4.86 105.19 103.27 1jik n GLY 151 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 1jik n GLY 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jik n LYS 152 N -1.86 2.44 -0.09 1.61 3.00 -1.14 -4.82 118.16 117.30 1jik n LYS 152 Ca 0.00 0.89 -0.02 0.00 -0.00 0.00 0.00 58.31 59.18 1jik n LYS 152 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 35.03 32.24 1jik n LYS 152 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jik n ASP 153 N 6.54 -0.23 0.01 3.14 5.68 -1.26 -1.35 116.55 129.07 1jik n ASP 153 Ca 0.21 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.07 1jik n ASP 153 Cb 0.33 -0.14 0.02 0.00 -1.14 0.00 0.00 41.12 40.20 1jik n ASP 153 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1jik n SER 154 N -3.56 0.02 -0.08 -1.12 3.41 -1.26 -2.02 113.62 109.00 1jik n SER 154 Ca 0.00 0.41 -0.23 0.00 -0.26 0.00 0.00 58.87 58.79 1jik n SER 154 Cb 0.06 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 1jik n SER 154 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1jik n ILE 155 N -1.43 1.60 -0.32 -1.33 2.08 -0.46 -4.47 119.36 115.04 1jik n ILE 155 Ca -0.00 -0.32 0.14 0.00 0.56 0.00 0.00 62.75 63.13 1jik n ILE 155 Cb 0.11 -1.87 0.30 0.00 -0.75 0.00 0.00 39.64 37.43 1jik n ILE 155 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1jik h GLN 156 N -0.61 0.08 -0.31 0.38 1.08 -1.40 0.38 115.11 114.69 1jik h GLN 156 Ca -0.46 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.77 1jik h GLN 156 Cb 1.62 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.98 1jik h GLN 156 CO -0.16 0.05 -0.40 0.77 -0.95 0.00 0.00 178.83 178.14 1jik h SER 157 N 0.08 -1.34 1.10 1.46 0.02 -1.78 -1.40 113.55 111.69 1jik h SER 157 Ca 0.58 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.71 1jik h SER 157 Cb 1.22 0.55 0.00 0.00 0.14 0.00 0.00 62.40 64.31 1jik h SER 157 CO -0.80 -0.28 -0.07 0.54 -1.14 0.00 0.00 176.83 175.09 1jik n ARG 158 N -4.59 0.09 -0.05 3.45 1.74 -0.12 -3.73 116.66 113.45 1jik n ARG 158 Ca -0.02 0.07 -0.07 0.00 -0.77 0.00 0.00 57.85 57.06 1jik n ARG 158 Cb 0.24 -1.60 0.11 0.00 -1.02 0.00 0.00 32.46 30.19 1jik n ARG 158 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1jik h LEU 159 N 0.00 0.68 0.00 0.55 7.12 0.77 -2.21 115.31 122.23 1jik h LEU 159 Ca 0.00 -0.26 0.00 0.00 0.13 0.00 0.00 57.88 57.75 1jik h LEU 159 Cb 0.58 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1jik h LEU 159 CO 0.00 0.93 0.00 -0.62 -0.13 0.00 0.00 178.44 178.62 1jik n GLU 160 N -4.09 0.08 0.01 1.25 -0.58 -1.02 -4.44 120.64 111.85 1jik n GLU 160 Ca -0.00 0.13 -0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1jik n GLU 160 Cb 0.45 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1jik n GLU 160 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1jik n HIS 161 N -1.44 0.00 -2.74 -0.32 8.25 -1.04 -5.07 115.22 112.86 1jik n HIS 161 Ca 0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1jik n HIS 161 Cb 0.22 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.33 1jik n HIS 161 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1jik s GLY 162 N -3.40 -1.71 -0.38 -1.41 0.00 -0.86 -5.13 107.32 94.44 1jik s GLY 162 Ca -0.01 0.71 -0.15 0.00 0.00 0.00 0.00 44.72 45.27 1jik s GLY 162 CO 0.02 4.22 0.36 -1.50 0.00 0.00 0.00 173.10 176.20 1jik s ILE 163 N 1.34 5.18 1.09 0.90 2.07 -1.13 -4.84 121.20 125.82 1jik s ILE 163 Ca 0.21 -0.26 -0.14 0.00 -1.41 0.00 0.00 60.65 59.04 1jik s ILE 163 Cb 0.08 -3.90 0.23 0.00 0.13 0.00 0.00 42.46 39.00 1jik s ILE 163 CO -0.11 -0.23 1.08 -0.94 -1.91 0.00 0.00 174.94 172.82 1jik s SER 164 N 1.75 1.82 0.16 4.50 1.04 -1.26 -4.76 113.70 116.95 1jik s SER 164 Ca 0.10 1.10 -0.10 0.00 0.48 0.00 0.00 55.95 57.53 1jik s SER 164 Cb -0.17 -1.70 0.02 0.00 0.10 0.00 0.00 66.02 64.27 1jik s SER 164 CO 0.12 -3.62 1.57 0.22 0.98 0.00 0.00 173.24 172.51 1jik h TYR 165 N -2.23 1.15 0.50 5.02 3.20 -1.97 0.02 116.97 122.66 1jik h TYR 165 Ca -0.54 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.06 1jik h TYR 165 Cb 1.33 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1jik h TYR 165 CO -0.28 1.08 -0.42 1.15 -1.64 0.00 0.00 178.16 178.06 1jik h THR 166 N 0.89 0.16 -0.10 1.81 2.02 -1.98 0.14 112.91 115.84 1jik h THR 166 Ca 0.13 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1jik h THR 166 Cb 0.72 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1jik h THR 166 CO 0.06 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.55 1jik h GLU 167 N -0.91 0.15 -0.13 6.66 5.08 -1.87 -2.39 114.58 121.18 1jik h GLU 167 Ca -0.05 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.10 1jik h GLU 167 Cb 0.78 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1jik h GLU 167 CO -0.02 0.23 -0.67 0.35 -1.00 0.00 0.00 179.01 177.90 1jik h PHE 168 N 0.15 0.67 0.00 4.33 3.57 -0.66 -3.26 116.94 121.74 1jik h PHE 168 Ca 0.03 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1jik h PHE 168 Cb 0.21 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1jik h PHE 168 CO 0.00 1.03 0.00 -2.37 -2.23 0.00 0.00 178.31 174.74 1jik n THR 169 N -3.90 0.14 -0.18 4.41 5.66 0.45 -4.40 114.28 116.47 1jik n THR 169 Ca -0.04 0.03 -0.01 0.00 -3.05 0.00 0.00 64.05 60.98 1jik n THR 169 Cb 0.67 -0.59 0.08 0.00 -1.55 0.00 0.00 70.33 68.95 1jik n THR 169 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 1jik h TYR 170 N 0.00 0.03 -0.66 1.09 3.20 -1.58 -3.02 116.97 116.03 1jik h TYR 170 Ca 0.00 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1jik h TYR 170 Cb 0.29 0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 1jik h TYR 170 CO 0.00 -0.10 0.36 1.79 -1.64 0.00 0.00 178.16 178.57 1jik h THR 171 N 0.15 0.96 -0.43 1.81 1.35 -1.87 0.39 112.91 115.27 1jik h THR 171 Ca 0.28 -0.23 0.12 0.00 -0.55 0.00 0.00 66.41 66.03 1jik h THR 171 Cb 0.43 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.06 1jik h THR 171 CO -0.43 0.12 0.31 0.40 -0.25 0.00 0.00 175.52 175.67 1jik h ILE 172 N 0.67 0.80 -0.17 6.82 2.04 -1.85 0.54 117.51 126.35 1jik h ILE 172 Ca 0.30 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 66.00 1jik h ILE 172 Cb 0.19 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1jik h ILE 172 CO -0.19 0.01 -0.50 -0.07 0.00 0.00 0.00 178.15 177.40 1jik h LEU 173 N 0.04 0.51 -0.35 1.44 3.38 -0.28 -1.76 115.31 118.29 1jik h LEU 173 Ca 0.20 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jik h LEU 173 Cb 0.76 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1jik h LEU 173 CO -0.01 0.93 -0.22 1.67 0.09 0.00 0.00 178.44 180.89 1jik n GLN 174 N -3.97 0.69 0.03 1.13 7.27 0.52 -3.36 117.38 119.69 1jik n GLN 174 Ca -0.02 -0.35 -0.03 0.00 0.07 0.00 0.00 57.00 56.66 1jik n GLN 174 Cb 0.57 -1.49 -0.09 0.00 2.41 0.00 0.00 30.24 31.63 1jik n GLN 174 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jik h ALA 175 N 3.58 0.66 0.02 1.69 0.00 0.74 -3.29 119.26 122.66 1jik h ALA 175 Ca 0.00 -1.01 -0.22 0.00 0.00 0.00 0.00 54.91 53.69 1jik h ALA 175 Cb 0.46 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1jik h ALA 175 CO 0.00 1.14 -1.01 0.82 0.00 0.00 0.00 179.25 180.19 1jik h ILE 176 N 0.00 1.67 -0.29 0.00 2.04 -1.44 -2.99 117.51 116.49 1jik h ILE 176 Ca -0.17 -3.29 -0.00 0.00 1.00 0.00 0.00 64.86 62.40 1jik h ILE 176 Cb 1.72 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 40.60 1jik h ILE 176 CO 0.07 0.94 0.18 0.44 0.00 0.00 0.00 178.15 179.78 1jik h ASP 177 N 0.01 0.35 0.07 1.72 3.32 -1.64 0.38 116.42 120.63 1jik h ASP 177 Ca -0.03 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1jik h ASP 177 Cb 1.76 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.22 1jik h ASP 177 CO 0.14 0.30 -0.03 0.15 -1.72 0.00 0.00 179.24 178.07 1jik h PHE 178 N 0.37 -0.08 -0.57 4.55 3.04 -1.63 0.09 116.94 122.71 1jik h PHE 178 Ca 0.10 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.12 1jik h PHE 178 Cb 0.01 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.49 1jik h PHE 178 CO -0.04 -0.01 0.25 0.78 -2.02 0.00 0.00 178.31 177.27 1jik h GLY 179 N -0.13 0.80 1.01 2.40 0.00 -1.44 0.84 103.07 106.55 1jik h GLY 179 Ca -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1jik h GLY 179 CO 0.01 0.05 -0.44 0.84 0.00 0.00 0.00 176.54 177.00 1jik h HIS 180 N 0.47 -1.15 -0.22 5.60 -0.00 -0.62 -0.29 115.15 118.94 1jik h HIS 180 Ca 0.27 -0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.63 1jik h HIS 180 Cb 0.26 0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1jik h HIS 180 CO -0.13 -0.71 0.15 -0.07 -0.00 0.00 0.00 177.93 177.16 1jik h LEU 181 N -1.25 0.18 -0.53 0.26 4.07 -0.74 0.32 115.31 117.62 1jik h LEU 181 Ca -0.13 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.68 1jik h LEU 181 Cb 0.95 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1jik h LEU 181 CO 0.21 0.13 -0.40 -1.13 -1.08 0.00 0.00 178.44 176.16 1jik h ASN 182 N 0.21 0.80 0.16 -0.43 -1.24 0.96 -1.12 115.58 114.92 1jik h ASN 182 Ca 0.09 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 56.73 1jik h ASN 182 Cb 0.10 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.92 1jik h ASN 182 CO -0.02 1.10 -0.08 0.03 -1.29 0.00 0.00 177.43 177.18 1jik h ARG 183 N 0.61 -0.21 0.03 6.67 3.08 0.98 -2.57 114.38 122.97 1jik h ARG 183 Ca 0.05 0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 1jik h ARG 183 Cb 0.95 0.05 0.02 0.00 0.08 0.00 0.00 29.97 31.06 1jik h ARG 183 CO 0.09 0.21 -0.68 1.49 -1.07 0.00 0.00 179.97 180.01 1jik h GLU 184 N -0.89 0.40 -0.36 0.04 4.22 -0.53 -3.34 114.58 114.12 1jik h GLU 184 Ca -0.02 -0.48 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1jik h GLU 184 Cb 0.51 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1jik h GLU 184 CO 0.04 1.15 0.00 1.28 -2.18 0.00 0.00 179.01 179.29 1jik n LEU 185 N -4.18 3.83 -3.66 1.64 4.77 -0.46 -4.98 117.00 113.97 1jik n LEU 185 Ca -0.11 -2.62 -0.21 0.00 -0.03 0.00 0.00 56.01 53.04 1jik n LEU 185 Cb 0.72 -0.46 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 1jik n LEU 185 CO 0.48 0.71 -0.04 -3.20 -1.33 0.00 0.00 177.39 174.01 1jik n ASN 186 N 0.11 -1.34 -4.65 -1.43 5.15 -0.98 -4.90 115.26 107.22 1jik n ASN 186 Ca 0.19 -0.78 -0.43 0.00 -0.60 0.00 0.00 54.58 52.96 1jik n ASN 186 Cb 0.77 -4.24 -0.02 0.00 -0.53 0.00 0.00 39.78 35.76 1jik n ASN 186 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jik n LYS 188 N 6.62 1.71 -4.04 0.00 5.02 -0.76 -4.27 118.16 122.45 1jik n LYS 188 Ca 0.12 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 1jik n LYS 188 Cb 0.47 -1.18 -0.14 0.00 -0.02 0.00 0.00 35.03 34.16 1jik n LYS 188 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jik s ILE 189 N -2.49 0.27 -0.07 -0.18 1.01 -1.23 0.61 121.20 119.12 1jik s ILE 189 Ca -0.00 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.36 1jik s ILE 189 Cb 0.08 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 1jik s ILE 189 CO 0.50 -0.05 -0.23 -1.58 0.00 0.00 0.00 174.94 173.58 1jik s GLN 190 N -0.43 2.50 0.09 2.79 0.74 -0.95 -1.91 119.66 122.49 1jik s GLN 190 Ca -0.02 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 54.63 1jik s GLN 190 Cb -0.03 -2.05 -0.04 0.00 1.10 0.00 0.00 33.01 31.99 1jik s GLN 190 CO -0.00 0.29 -0.11 0.08 -0.55 0.00 0.00 175.29 175.00 1jik s VAL 191 N 0.04 3.34 0.20 1.34 1.01 -0.49 -1.97 120.40 123.86 1jik s VAL 191 Ca -0.08 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.47 1jik s VAL 191 Cb -0.15 -2.53 0.08 0.00 0.00 0.00 0.00 36.38 33.78 1jik s VAL 191 CO 0.05 0.17 1.03 -0.83 0.00 0.00 0.00 175.10 175.51 1jik s GLY 192 N -2.04 0.14 0.83 4.51 0.00 -1.19 -4.24 107.32 105.33 1jik s GLY 192 Ca 0.20 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.46 1jik s GLY 192 CO 0.12 2.41 1.15 -0.32 0.00 0.00 0.00 173.10 176.46 1jik s GLY 193 N -3.41 1.77 0.37 0.20 0.00 -1.26 -1.88 107.32 103.11 1jik s GLY 193 Ca 0.22 -1.45 0.12 0.00 0.00 0.00 0.00 44.72 43.61 1jik s GLY 193 CO 0.06 -0.80 1.83 1.76 0.00 0.00 0.00 173.10 175.95 1jik h SER 194 N -1.06 0.58 0.03 1.64 0.02 -1.88 -0.05 113.55 112.83 1jik h SER 194 Ca -0.40 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1jik h SER 194 Cb 1.25 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1jik h SER 194 CO 0.40 0.24 -0.03 -2.24 -1.14 0.00 0.00 176.83 174.05 1jik h ASP 195 N 0.58 0.01 0.27 3.07 2.03 -1.93 -2.71 116.42 117.74 1jik h ASP 195 Ca 0.50 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 1jik h ASP 195 Cb 1.00 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 1jik h ASP 195 CO -0.24 0.05 -0.04 0.00 -1.03 0.00 0.00 179.24 177.98 1jik n GLN 196 N -4.49 0.80 -0.12 4.15 1.13 -0.03 -4.01 117.38 114.80 1jik n GLN 196 Ca -0.03 -0.16 0.20 0.00 -1.94 0.00 0.00 57.00 55.07 1jik n GLN 196 Cb 0.12 -1.50 0.60 0.00 0.11 0.00 0.00 30.24 29.58 1jik n GLN 196 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 1jik h TRP 197 N 0.38 0.25 0.28 1.08 2.91 -1.56 0.36 115.95 119.66 1jik h TRP 197 Ca 0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1jik h TRP 197 Cb 0.23 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 1jik h TRP 197 CO 0.00 0.09 -0.13 0.78 -1.03 0.00 0.00 178.44 178.14 1jik h GLY 198 N 0.20 -0.39 1.92 2.65 0.00 -1.82 -2.89 103.07 102.75 1jik h GLY 198 Ca 0.35 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.75 1jik h GLY 198 CO -0.07 -0.14 -0.32 3.43 0.00 0.00 0.00 176.54 179.44 1jik h ASN 199 N -0.70 0.09 0.71 0.19 2.35 -1.49 -1.83 115.58 114.89 1jik h ASN 199 Ca -0.04 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1jik h ASN 199 Cb 0.48 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.84 1jik h ASN 199 CO 0.06 0.41 -0.34 0.40 -1.65 0.00 0.00 177.43 176.31 1jik h ILE 200 N 0.08 0.00 0.00 2.81 2.04 -1.02 -2.86 117.51 118.56 1jik h ILE 200 Ca 0.01 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jik h ILE 200 Cb 0.61 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1jik h ILE 200 CO 0.04 0.00 -0.01 0.71 0.00 0.00 0.00 178.15 178.90 1jik h THR 201 N -1.09 0.29 0.00 -0.27 1.35 -1.52 0.53 112.91 112.20 1jik h THR 201 Ca -0.10 -0.03 -0.07 0.00 -0.55 0.00 0.00 66.41 65.66 1jik h THR 201 Cb 0.73 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.16 1jik h THR 201 CO 0.16 0.01 -0.34 0.28 -0.25 0.00 0.00 175.52 175.37 1jik h SER 202 N 0.00 0.00 0.41 5.36 0.02 -1.21 -2.88 113.55 115.25 1jik h SER 202 Ca -0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 1jik h SER 202 Cb 0.02 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1jik h SER 202 CO 0.00 0.34 -1.48 1.23 -1.14 0.00 0.00 176.83 175.79 1jik h GLY 203 N 1.08 0.41 1.66 -3.77 0.00 0.28 -3.02 103.07 99.71 1jik h GLY 203 Ca -0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.19 1jik h GLY 203 CO 0.04 0.91 -0.29 -2.22 0.00 0.00 0.00 176.54 174.99 1jik h ILE 204 N 0.10 1.27 -0.10 2.60 2.04 -1.40 -2.83 117.51 119.19 1jik h ILE 204 Ca -0.23 -1.29 -0.22 0.00 1.00 0.00 0.00 64.86 64.12 1jik h ILE 204 Cb 2.06 1.43 0.01 0.00 -0.74 0.00 0.00 36.82 39.58 1jik h ILE 204 CO 0.21 0.40 -0.82 -0.08 0.00 0.00 0.00 178.15 177.86 1jik h GLU 205 N 0.34 0.63 0.28 2.37 4.57 -1.64 -1.03 114.58 120.10 1jik h GLU 205 Ca 0.05 -0.55 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1jik h GLU 205 Cb 0.68 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1jik h GLU 205 CO 0.05 1.17 -0.17 1.25 -1.18 0.00 0.00 179.01 180.12 1jik h LEU 206 N 0.42 -0.44 -0.97 1.64 6.46 -1.43 -1.19 115.31 119.80 1jik h LEU 206 Ca -0.06 0.03 0.30 0.00 -0.12 0.00 0.00 57.88 58.03 1jik h LEU 206 Cb 1.43 0.13 -0.18 0.00 -0.73 0.00 0.00 40.66 41.31 1jik h LEU 206 CO 0.16 -0.27 0.15 0.80 -0.62 0.00 0.00 178.44 178.66 1jik n MET 207 N -3.33 -0.07 0.11 1.25 1.56 -1.08 0.26 117.12 115.82 1jik n MET 207 Ca -0.05 1.42 -0.13 0.00 -0.27 0.00 0.00 57.70 58.66 1jik n MET 207 Cb 0.18 -2.32 -0.08 0.00 2.15 0.00 0.00 33.22 33.15 1jik n MET 207 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 1jik h ARG 208 N 0.00 -0.21 -0.09 2.12 2.43 -0.81 0.02 114.38 117.84 1jik h ARG 208 Ca 0.65 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.73 1jik h ARG 208 Cb 1.46 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 1jik h ARG 208 CO -0.86 -0.09 -0.32 0.00 -1.51 0.00 0.00 179.97 177.19 1jik h ARG 209 N -0.28 0.38 -0.39 0.20 3.08 0.11 -2.98 114.38 114.49 1jik h ARG 209 Ca -0.02 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.77 1jik h ARG 209 Cb 0.22 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1jik h ARG 209 CO 0.04 0.91 0.20 1.98 -1.07 0.00 0.00 179.97 182.03 1jik h MET 210 N -0.08 0.39 -0.70 0.04 4.05 -0.24 -3.43 114.93 114.96 1jik h MET 210 Ca -0.01 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.50 1jik h MET 210 Cb 0.96 -0.09 -0.20 0.00 -0.80 0.00 0.00 31.60 31.46 1jik h MET 210 CO 0.07 0.26 -0.19 1.52 0.23 0.00 0.00 176.91 178.80 1jik s TYR 211 N -6.15 -1.26 0.00 1.39 -0.85 -0.01 -5.06 117.35 105.41 1jik s TYR 211 Ca -0.13 0.90 0.00 0.00 -0.52 0.00 0.00 57.07 57.32 1jik s TYR 211 Cb 0.12 0.28 0.00 0.00 0.38 0.00 0.00 41.96 42.74 1jik s TYR 211 CO 0.72 -0.72 0.00 0.41 -1.52 0.00 0.00 175.55 174.44 1jik n GLY 212 N 5.34 0.00 2.75 5.49 0.00 -1.13 -4.47 105.19 113.18 1jik n GLY 212 Ca 0.04 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.57 1jik n GLY 212 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jik n GLN 213 N 0.56 0.00 -1.57 1.61 0.00 -1.23 -4.78 117.38 111.97 1jik n GLN 213 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.61 1jik n GLN 213 Cb 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 30.24 29.10 1jik n GLN 213 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1jik n THR 214 N 2.45 4.63 -4.00 1.69 -1.04 -1.26 -4.63 114.28 112.13 1jik n THR 214 Ca 0.21 -3.22 -0.29 0.00 -2.04 0.00 0.00 64.05 58.71 1jik n THR 214 Cb -0.01 -2.43 -0.01 0.00 -1.82 0.00 0.00 70.33 66.06 1jik n THR 214 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1jik n ASP 215 N 2.98 -2.09 -4.82 8.00 9.92 -1.26 -4.88 116.55 124.41 1jik n ASP 215 Ca 0.72 -0.95 -0.38 0.00 -0.53 0.00 0.00 54.79 53.66 1jik n ASP 215 Cb 0.24 -3.24 -0.06 0.00 -0.64 0.00 0.00 41.12 37.42 1jik n ASP 215 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jik s ALA 216 N -3.62 3.69 0.13 2.24 0.00 -1.26 -4.71 121.76 118.23 1jik s ALA 216 Ca 0.34 -0.32 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1jik s ALA 216 Cb -0.18 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1jik s ALA 216 CO 0.88 0.40 0.02 0.71 0.00 0.00 0.00 175.76 177.77 1jik s TYR 217 N -0.67 0.90 -0.01 0.00 2.02 0.20 -5.00 117.35 114.79 1jik s TYR 217 Ca 0.21 -1.14 -0.00 0.00 -0.37 0.00 0.00 57.07 55.77 1jik s TYR 217 Cb -0.15 -0.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.89 1jik s TYR 217 CO 0.10 -0.40 0.02 0.20 -1.57 0.00 0.00 175.55 173.90 1jik s GLY 218 N -3.06 0.01 0.02 0.71 0.00 -1.26 -2.24 107.32 101.50 1jik s GLY 218 Ca 0.21 0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.03 1jik s GLY 218 CO 0.00 0.15 -0.04 0.48 0.00 0.00 0.00 173.10 173.70 1jik s LEU 219 N 0.19 2.21 0.28 0.66 -0.00 -0.83 -1.42 118.68 119.77 1jik s LEU 219 Ca -0.02 -0.45 0.11 0.00 -0.00 0.00 0.00 54.13 53.78 1jik s LEU 219 Cb -0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 46.19 46.14 1jik s LEU 219 CO -0.01 -0.24 -0.15 0.42 -0.00 0.00 0.00 176.35 176.38 1jik s THR 220 N -1.26 2.71 0.02 5.48 -4.23 0.32 -3.19 115.64 115.49 1jik s THR 220 Ca -0.13 -2.29 0.02 0.00 -1.18 0.00 0.00 61.69 58.12 1jik s THR 220 Cb -0.09 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1jik s THR 220 CO -0.01 -0.39 0.01 -0.63 -0.54 0.00 0.00 174.62 173.06 1jik s ILE 221 N -2.47 4.16 1.10 2.99 1.01 -0.79 -0.34 121.20 126.87 1jik s ILE 221 Ca 0.30 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1jik s ILE 221 Cb -0.05 -2.90 0.21 0.00 0.01 0.00 0.00 42.46 39.74 1jik s ILE 221 CO 0.16 0.30 0.84 -2.65 0.00 0.00 0.00 174.94 173.60 1jik n PRO 222 N 1.15 -1.77 -3.26 2.79 -0.02 -1.26 -3.44 135.00 129.19 1jik n PRO 222 Ca -0.13 -0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 60.46 1jik n PRO 222 Cb 0.52 -2.12 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 1jik n PRO 222 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jik s LEU 223 N -5.74 4.34 -0.35 2.45 2.96 -1.26 -4.83 118.68 116.25 1jik s LEU 223 Ca 0.65 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.26 1jik s LEU 223 Cb -0.23 -2.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.84 1jik s LEU 223 CO 0.64 -0.45 2.30 0.52 -1.32 0.00 0.00 176.35 178.04 1jik n VAL 224 N 5.38 0.17 -4.20 1.68 0.31 -1.26 -4.95 118.33 115.47 1jik n VAL 224 Ca -0.05 -0.52 -0.34 0.00 -0.01 0.00 0.00 64.34 63.42 1jik n VAL 224 Cb 0.49 -2.41 -0.11 0.00 -0.91 0.00 0.00 33.84 30.90 1jik n VAL 224 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1jik s THR 225 N 9.41 4.34 0.61 2.52 -4.23 -1.26 -4.52 115.64 122.52 1jik s THR 225 Ca 1.03 -0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 61.21 1jik s THR 225 Cb -0.41 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 1jik s THR 225 CO 0.35 0.48 1.04 -0.54 -0.54 0.00 0.00 174.62 175.41 1jik s LYS 226 N 0.38 3.39 0.44 3.99 -0.14 -1.26 -4.94 119.74 121.60 1jik s LYS 226 Ca -0.00 0.98 0.23 0.00 -1.36 0.00 0.00 55.97 55.82 1jik s LYS 226 Cb -0.13 -2.05 0.96 0.00 -1.68 0.00 0.00 37.83 34.93 1jik s LYS 226 CO 0.02 -0.74 1.85 0.66 -0.76 0.00 0.00 175.35 176.38 1jik h SER 227 N 0.03 0.00 -0.50 2.83 4.64 -1.95 -2.24 113.55 116.36 1jik h SER 227 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1jik h SER 227 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1jik h SER 227 CO 0.59 0.24 0.00 -0.90 -0.87 0.00 0.00 176.83 175.89 1jik n ASP 228 N -3.49 3.08 0.00 4.97 3.85 -1.26 -4.93 116.55 118.76 1jik n ASP 228 Ca -0.00 -2.13 0.00 0.00 -0.71 0.00 0.00 54.79 51.95 1jik n ASP 228 Cb 0.41 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.78 1jik n ASP 228 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jik n GLY 229 N 1.15 0.27 3.73 6.12 0.00 -0.84 -4.97 105.19 110.65 1jik n GLY 229 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1jik n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jik s LYS 230 N -0.98 4.38 -0.07 1.61 1.02 -1.26 -4.91 119.74 119.53 1jik s LYS 230 Ca 0.00 0.77 -0.35 0.00 0.02 0.00 0.00 55.97 56.40 1jik s LYS 230 Cb 0.00 -3.40 -0.13 0.00 -0.52 0.00 0.00 37.83 33.78 1jik s LYS 230 CO 0.00 0.20 1.79 0.36 -0.92 0.00 0.00 175.35 176.78 1jik n LYS 231 N 3.35 1.97 -2.05 1.68 -0.00 -1.26 -4.16 118.16 117.69 1jik n LYS 231 Ca -0.04 0.72 -0.42 0.00 -0.00 0.00 0.00 58.31 58.57 1jik n LYS 231 Cb 0.51 -2.52 -0.03 0.00 -0.00 0.00 0.00 35.03 32.99 1jik n LYS 231 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1jik s PHE 232 N 3.37 3.10 0.00 5.58 2.19 -1.26 -3.63 117.98 127.33 1jik s PHE 232 Ca 0.91 0.94 0.00 0.00 0.33 0.00 0.00 56.93 59.11 1jik s PHE 232 Cb -0.76 -3.79 0.00 0.00 -1.31 0.00 0.00 43.02 37.15 1jik s PHE 232 CO 0.52 -2.71 0.00 0.41 1.83 0.00 0.00 175.22 175.27 1jik n GLY 233 N 2.84 3.09 3.49 13.12 0.00 -1.26 -4.84 105.19 121.63 1jik n GLY 233 Ca 0.09 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 1jik n GLY 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jik s LYS 234 N 0.00 3.53 0.00 1.61 2.20 -1.24 -0.96 119.74 124.88 1jik s LYS 234 Ca 0.00 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1jik s LYS 234 Cb 0.00 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1jik s LYS 234 CO 0.00 -0.35 0.00 -1.13 -0.36 0.00 0.00 175.35 173.51 1jik n SER 235 N 5.02 0.00 0.00 1.43 3.41 -0.79 -4.84 113.62 117.85 1jik n SER 235 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1jik n SER 235 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1jik n SER 235 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1jik n GLU 236 N -0.04 0.00 -0.15 4.33 4.07 -1.26 -4.77 120.64 122.82 1jik n GLU 236 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 1jik n GLU 236 Cb 0.00 -0.07 0.40 0.00 -0.06 0.00 0.00 31.44 31.71 1jik n GLU 236 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1jik h SER 237 N 0.00 0.57 -1.43 4.31 0.02 -2.01 -3.47 113.55 111.53 1jik h SER 237 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1jik h SER 237 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1jik h SER 237 CO 0.00 0.35 0.00 0.61 -1.14 0.00 0.00 176.83 176.65 1jik n GLY 238 N -1.47 0.34 3.76 -3.77 0.00 -1.26 -5.12 105.19 97.66 1jik n GLY 238 Ca 0.11 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 1jik n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jik s ALA 239 N -1.00 2.52 -0.59 4.61 0.00 -1.26 -1.89 121.76 124.16 1jik s ALA 239 Ca 0.00 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.61 1jik s ALA 239 Cb 0.00 -3.40 0.09 0.00 0.00 0.00 0.00 23.12 19.81 1jik s ALA 239 CO 0.00 -1.15 0.72 0.08 0.00 0.00 0.00 175.76 175.41 1jik s VAL 240 N -1.85 4.77 0.55 0.00 1.01 -0.13 -4.92 120.40 119.83 1jik s VAL 240 Ca 0.73 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 1jik s VAL 240 Cb -0.26 -4.48 -0.06 0.00 0.00 0.00 0.00 36.38 31.58 1jik s VAL 240 CO 0.34 -1.11 1.02 0.26 0.00 0.00 0.00 175.10 175.61 1jik s TRP 241 N 2.83 3.25 -2.14 5.22 0.52 -1.26 -1.24 118.94 126.12 1jik s TRP 241 Ca 0.13 1.49 0.18 0.00 0.02 0.00 0.00 56.10 57.92 1jik s TRP 241 Cb -0.23 -2.89 0.80 0.00 -1.15 0.00 0.00 33.47 30.00 1jik s TRP 241 CO 0.08 -0.70 1.55 1.28 0.02 0.00 0.00 176.95 179.17 1jik n LEU 242 N -1.79 0.97 -4.60 2.99 4.77 0.12 -4.49 117.00 114.98 1jik n LEU 242 Ca 0.08 -0.42 -0.35 0.00 -0.03 0.00 0.00 56.01 55.28 1jik n LEU 242 Cb 0.53 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1jik n LEU 242 CO 0.47 0.21 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.87 1jik s ASP 243 N -1.49 5.60 0.45 -1.43 -1.08 -1.26 -4.97 116.67 112.49 1jik s ASP 243 Ca 0.28 0.02 0.14 0.00 -0.52 0.00 0.00 52.55 52.47 1jik s ASP 243 Cb 0.14 -1.98 1.01 0.00 -1.46 0.00 0.00 42.92 40.63 1jik s ASP 243 CO 0.22 0.11 2.01 0.00 0.52 0.00 0.00 175.17 178.03 1jik h ALA 244 N 7.20 1.73 0.00 3.66 0.00 -1.86 0.13 119.26 130.12 1jik h ALA 244 Ca -0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jik h ALA 244 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jik h ALA 244 CO 0.66 0.21 0.00 0.39 0.00 0.00 0.00 179.25 180.51 1jik n GLU 245 N -4.36 0.00 -0.05 0.00 1.02 -1.26 -3.11 120.64 112.88 1jik n GLU 245 Ca -0.02 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.28 1jik n GLU 245 Cb 0.21 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1jik n GLU 245 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1jik n LYS 246 N -1.52 0.25 -4.01 3.49 5.02 -0.51 -4.94 118.16 115.94 1jik n LYS 246 Ca 0.03 0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 56.12 1jik n LYS 246 Cb 0.17 -0.92 -0.16 0.00 -0.02 0.00 0.00 35.03 34.10 1jik n LYS 246 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jik s THR 247 N -2.26 1.81 0.64 -0.18 2.01 0.36 -4.95 115.64 113.06 1jik s THR 247 Ca -0.16 -1.26 -0.18 0.00 0.31 0.00 0.00 61.69 60.41 1jik s THR 247 Cb 0.05 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1jik s THR 247 CO 0.20 0.07 1.13 -1.54 -0.69 0.00 0.00 174.62 173.79 1jik n SER 248 N 4.59 1.38 0.18 3.53 3.41 -1.18 -3.75 113.62 121.79 1jik n SER 248 Ca -0.14 0.80 0.16 0.00 -0.26 0.00 0.00 58.87 59.43 1jik n SER 248 Cb 0.45 -1.48 0.78 0.00 -0.26 0.00 0.00 64.21 63.70 1jik n SER 248 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1jik h PRO 249 N 0.40 0.00 -0.07 4.33 0.11 -1.87 0.49 132.00 135.39 1jik h PRO 249 Ca -0.50 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1jik h PRO 249 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1jik h PRO 249 CO 0.51 0.00 -0.33 -0.92 -0.21 0.00 0.00 178.00 177.06 1jik h TYR 250 N 0.00 0.46 -0.42 0.65 -0.00 -1.83 0.27 116.97 116.10 1jik h TYR 250 Ca 0.10 -0.20 -0.04 0.00 -0.00 0.00 0.00 58.73 58.59 1jik h TYR 250 Cb 0.48 -0.07 -0.02 0.00 -0.00 0.00 0.00 36.73 37.12 1jik h TYR 250 CO 0.00 0.94 0.11 0.93 -0.00 0.00 0.00 178.16 180.14 1jik h GLU 251 N -0.16 0.62 -0.58 1.82 5.08 -1.42 -0.54 114.58 119.39 1jik h GLU 251 Ca -0.02 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1jik h GLU 251 Cb 0.98 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1jik h GLU 251 CO 0.07 0.56 0.07 0.35 -1.00 0.00 0.00 179.01 179.06 1jik h PHE 252 N 0.61 1.05 -0.24 4.33 3.57 0.15 -2.43 116.94 123.97 1jik h PHE 252 Ca 0.14 -0.15 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1jik h PHE 252 Cb 0.22 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1jik h PHE 252 CO 0.01 0.92 -0.32 -0.92 -2.23 0.00 0.00 178.31 175.77 1jik h TYR 253 N 0.88 0.56 0.35 0.41 5.03 0.34 -3.21 116.97 121.33 1jik h TYR 253 Ca 0.17 -0.14 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1jik h TYR 253 Cb 0.45 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.60 1jik h TYR 253 CO 0.03 0.76 -0.17 1.96 -1.32 0.00 0.00 178.16 179.42 1jik h GLN 254 N 0.42 -0.45 -0.83 1.82 1.08 -0.85 -2.80 115.11 113.50 1jik h GLN 254 Ca 0.05 0.03 0.13 0.00 -1.45 0.00 0.00 58.65 57.41 1jik h GLN 254 Cb 0.77 0.10 -0.13 0.00 -0.05 0.00 0.00 27.48 28.17 1jik h GLN 254 CO 0.06 -0.18 -0.32 0.34 -0.95 0.00 0.00 178.83 177.79 1jik n PHE 255 N -5.20 0.03 0.15 2.96 7.35 -0.94 -1.25 117.46 120.56 1jik n PHE 255 Ca -0.10 1.02 -0.14 0.00 -0.76 0.00 0.00 57.45 57.47 1jik n PHE 255 Cb 0.26 -0.82 -0.08 0.00 0.35 0.00 0.00 39.48 39.19 1jik n PHE 255 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1jik h TRP 256 N 0.00 -0.29 -0.01 -5.13 -0.00 -1.59 -2.75 115.95 106.18 1jik h TRP 256 Ca 0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.18 1jik h TRP 256 Cb 0.50 0.10 -0.00 0.00 -0.00 0.00 0.00 29.16 29.76 1jik h TRP 256 CO -0.72 -0.12 0.06 -0.84 -0.00 0.00 0.00 178.44 176.82 1jik h ILE 257 N -0.39 0.09 -0.17 1.49 3.07 -0.90 -0.38 117.51 120.32 1jik h ILE 257 Ca -0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.38 1jik h ILE 257 Cb 0.30 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1jik h ILE 257 CO 0.05 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.74 1jik n ASN 258 N -3.19 1.07 -4.75 2.16 5.03 -0.53 -4.85 115.26 110.20 1jik n ASN 258 Ca -0.03 -1.86 -0.41 0.00 0.87 0.00 0.00 54.58 53.15 1jik n ASN 258 Cb 0.13 -0.11 -0.03 0.00 -1.02 0.00 0.00 39.78 38.75 1jik n ASN 258 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1jik s GLN 259 N -1.77 4.48 0.57 3.52 -1.52 -0.15 -5.00 119.66 119.78 1jik s GLN 259 Ca 0.19 2.00 -0.18 0.00 -1.95 0.00 0.00 55.36 55.42 1jik s GLN 259 Cb 0.10 -3.16 -0.04 0.00 -0.22 0.00 0.00 33.01 29.69 1jik s GLN 259 CO 0.14 -0.06 1.11 -1.54 -0.25 0.00 0.00 175.29 174.70 1jik s SER 260 N -0.35 5.63 0.38 5.90 1.04 -1.26 -4.82 113.70 120.21 1jik s SER 260 Ca 0.50 2.07 0.06 0.00 0.48 0.00 0.00 55.95 59.06 1jik s SER 260 Cb -0.35 -2.57 0.76 0.00 0.10 0.00 0.00 66.02 63.96 1jik s SER 260 CO 0.44 -1.28 1.99 0.44 0.98 0.00 0.00 173.24 175.81 1jik h ASP 261 N 0.87 0.50 -0.77 7.02 3.45 -2.00 -0.39 116.42 125.09 1jik h ASP 261 Ca -0.49 -0.04 0.16 0.00 0.43 0.00 0.00 57.03 57.10 1jik h ASP 261 Cb 1.25 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 39.84 1jik h ASP 261 CO 0.56 0.43 0.52 -0.33 -1.57 0.00 0.00 179.24 178.85 1jik h GLU 262 N 0.56 0.36 0.00 3.56 3.07 -2.03 -3.09 114.58 117.01 1jik h GLU 262 Ca 0.14 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1jik h GLU 262 Cb 0.06 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 1jik h GLU 262 CO -0.02 0.24 -0.02 -0.40 -1.40 0.00 0.00 179.01 177.40 1jik n ASP 263 N -4.47 1.43 -0.02 1.42 5.68 -0.65 -4.85 116.55 115.10 1jik n ASP 263 Ca 0.15 -1.86 -0.11 0.00 -0.50 0.00 0.00 54.79 52.47 1jik n ASP 263 Cb 0.58 -0.06 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 1jik n ASP 263 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1jik h VAL 264 N 1.10 1.13 -0.78 2.12 3.04 -1.02 0.16 116.25 121.99 1jik h VAL 264 Ca 0.00 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 1jik h VAL 264 Cb 0.72 1.16 -0.04 0.00 -2.01 0.00 0.00 31.29 31.13 1jik h VAL 264 CO 0.00 0.12 0.43 0.40 -1.01 0.00 0.00 177.57 177.50 1jik h ILE 265 N 0.05 1.23 -0.35 3.17 1.08 -1.87 0.10 117.51 120.93 1jik h ILE 265 Ca 0.04 -0.59 -0.10 0.00 -0.39 0.00 0.00 64.86 63.82 1jik h ILE 265 Cb 0.14 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.08 1jik h ILE 265 CO -0.00 0.26 -0.17 0.50 -0.69 0.00 0.00 178.15 178.04 1jik h LYS 266 N 1.08 0.73 -0.97 2.37 3.64 -1.88 -0.69 116.57 120.85 1jik h LYS 266 Ca 0.27 -0.32 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1jik h LYS 266 Cb 0.04 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1jik h LYS 266 CO -0.04 0.93 0.63 0.74 -2.27 0.00 0.00 179.45 179.44 1jik h PHE 267 N 0.51 1.18 -0.42 1.91 -1.00 -0.53 -0.22 116.94 118.37 1jik h PHE 267 Ca 0.08 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.93 1jik h PHE 267 Cb 0.71 -0.39 -0.04 0.00 3.61 0.00 0.00 35.95 39.84 1jik h PHE 267 CO 0.06 0.65 0.17 -0.07 -1.61 0.00 0.00 178.31 177.50 1jik h LEU 268 N 1.19 0.20 -1.52 1.54 3.38 -0.10 0.20 115.31 120.20 1jik h LEU 268 Ca 0.40 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 1jik h LEU 268 Cb 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jik h LEU 268 CO -0.14 0.15 -0.14 0.11 0.09 0.00 0.00 178.44 178.51 1jik h LYS 269 N 0.34 0.00 0.01 1.13 1.57 -0.51 -2.72 116.57 116.40 1jik h LYS 269 Ca 0.19 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 1jik h LYS 269 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1jik h LYS 269 CO -0.18 0.14 -0.86 1.88 -0.57 0.00 0.00 179.45 179.86 1jik h TYR 270 N 0.00 0.04 -0.29 -1.35 0.05 0.45 -3.42 116.97 112.44 1jik h TYR 270 Ca -0.00 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1jik h TYR 270 Cb 0.54 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1jik h TYR 270 CO 0.00 1.34 0.00 1.19 -1.05 0.00 0.00 178.16 179.64 1jik n PHE 271 N -4.45 0.37 -4.17 4.88 3.01 0.57 -4.94 117.46 112.73 1jik n PHE 271 Ca -0.24 -0.21 -0.16 0.00 1.01 0.00 0.00 57.45 57.85 1jik n PHE 271 Cb 0.63 -0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.98 1jik n PHE 271 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1jik s THR 272 N -1.48 0.78 -0.44 4.37 -4.23 -1.03 -4.74 115.64 108.87 1jik s THR 272 Ca 0.33 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1jik s THR 272 Cb 0.20 -0.76 0.20 0.00 1.34 0.00 0.00 72.50 73.48 1jik s THR 272 CO 0.29 -0.17 2.28 0.49 -0.54 0.00 0.00 174.62 176.97 1jik n PHE 273 N 1.77 1.87 0.00 3.99 3.01 -1.26 -4.77 117.46 122.07 1jik n PHE 273 Ca -0.20 -2.13 0.00 0.00 1.01 0.00 0.00 57.45 56.14 1jik n PHE 273 Cb 0.55 -1.19 0.00 0.00 -0.01 0.00 0.00 39.48 38.83 1jik n PHE 273 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1jik n LEU 274 N 0.31 0.00 -3.56 4.37 4.77 -1.26 -5.10 117.00 116.53 1jik n LEU 274 Ca 0.42 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1jik n LEU 274 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1jik n LEU 274 CO 0.43 0.00 0.28 -0.83 -1.33 0.00 0.00 177.39 175.94 1jik s GLY 275 N 0.00 -0.40 0.13 -0.72 0.00 -1.26 -5.00 107.32 100.07 1jik s GLY 275 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.57 1jik s GLY 275 CO 0.00 -0.10 1.51 1.70 0.00 0.00 0.00 173.10 176.21 1jik h LYS 276 N 2.19 -0.30 0.00 2.90 3.64 -1.98 0.48 116.57 123.50 1jik h LYS 276 Ca -0.33 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.05 1jik h LYS 276 Cb 1.28 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1jik h LYS 276 CO 0.42 -0.20 -0.08 0.93 -2.27 0.00 0.00 179.45 178.24 1jik h GLU 277 N -0.31 0.00 -0.02 1.90 4.39 -1.97 0.27 114.58 118.84 1jik h GLU 277 Ca 0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1jik h GLU 277 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1jik h GLU 277 CO -0.62 0.08 -0.12 0.93 -1.16 0.00 0.00 179.01 178.12 1jik h GLU 278 N 0.00 0.12 0.00 2.33 3.07 -1.57 0.16 114.58 118.69 1jik h GLU 278 Ca -0.00 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.67 1jik h GLU 278 Cb 0.38 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1jik h GLU 278 CO 0.01 0.78 -0.40 0.82 -1.40 0.00 0.00 179.01 178.82 1jik h ILE 279 N -0.51 1.23 0.00 3.13 2.04 0.54 -1.65 117.51 122.29 1jik h ILE 279 Ca -0.01 -1.39 -0.19 0.00 1.00 0.00 0.00 64.86 64.27 1jik h ILE 279 Cb 0.81 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 1jik h ILE 279 CO 0.03 0.39 -0.88 0.44 0.00 0.00 0.00 178.15 178.12 1jik h ASP 280 N 0.00 0.00 0.37 1.72 3.32 -0.44 -1.38 116.42 120.01 1jik h ASP 280 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1jik h ASP 280 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1jik h ASP 280 CO 0.05 0.88 -0.25 -0.09 -1.72 0.00 0.00 179.24 178.11 1jik h ARG 281 N 0.00 -0.59 0.00 3.56 1.12 -0.02 -2.39 114.38 116.07 1jik h ARG 281 Ca -0.01 0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.87 1jik h ARG 281 Cb 1.64 0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 31.73 1jik h ARG 281 CO 0.11 -0.39 -0.15 -0.07 -3.11 0.00 0.00 179.97 176.36 1jik h LEU 282 N -0.61 0.00 -0.25 3.80 4.07 -1.22 -2.49 115.31 118.62 1jik h LEU 282 Ca -0.03 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 1jik h LEU 282 Cb 0.52 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1jik h LEU 282 CO 0.02 0.15 -0.09 -0.08 -1.08 0.00 0.00 178.44 177.36 1jik h GLU 283 N 0.00 0.50 -0.43 1.13 4.81 -0.95 -1.47 114.58 118.16 1jik h GLU 283 Ca -0.00 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1jik h GLU 283 Cb 0.29 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1jik h GLU 283 CO 0.02 0.74 0.21 1.96 -0.73 0.00 0.00 179.01 181.22 1jik h GLN 284 N 0.23 0.62 -0.26 1.92 1.08 -0.99 -1.35 115.11 116.36 1jik h GLN 284 Ca 0.06 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1jik h GLN 284 Cb 0.58 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1jik h GLN 284 CO 0.03 0.53 -0.22 0.66 -0.95 0.00 0.00 178.83 178.88 1jik h SER 285 N 0.56 0.48 0.57 1.46 4.64 -1.49 -3.04 113.55 116.73 1jik h SER 285 Ca 0.15 -0.15 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1jik h SER 285 Cb 0.11 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1jik h SER 285 CO -0.02 0.70 -0.35 0.50 -0.87 0.00 0.00 176.83 176.79 1jik h LYS 286 N 0.43 -0.84 -2.28 4.77 3.11 -0.87 -0.17 116.57 120.72 1jik h LYS 286 Ca 0.07 0.06 -0.60 0.00 -2.81 0.00 0.00 60.65 57.36 1jik h LYS 286 Cb 0.62 0.19 -0.15 0.00 -1.00 0.00 0.00 32.23 31.89 1jik h LYS 286 CO 0.04 -0.56 1.29 0.27 -2.81 0.00 0.00 179.45 177.68 1jik n ASN 287 N -5.49 7.16 0.00 4.20 2.04 -0.54 -3.36 115.26 119.27 1jik n ASN 287 Ca -0.12 -3.16 0.00 0.00 -0.44 0.00 0.00 54.58 50.86 1jik n ASN 287 Cb 0.38 -1.30 0.00 0.00 -2.53 0.00 0.00 39.78 36.33 1jik n ASN 287 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1jik n GLU 288 N 1.30 0.00 -2.66 -3.83 0.28 -1.15 -4.94 120.64 109.63 1jik n GLU 288 Ca 0.55 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.46 1jik n GLU 288 Cb 0.42 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.32 1jik n GLU 288 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jik n ALA 289 N -0.47 3.45 -0.36 -1.84 0.00 -0.09 -4.99 120.51 116.21 1jik n ALA 289 Ca 0.00 -3.19 0.34 0.00 0.00 0.00 0.00 53.44 50.59 1jik n ALA 289 Cb 0.00 -0.86 0.61 0.00 0.00 0.00 0.00 19.45 19.19 1jik n ALA 289 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jik n PRO 290 N -0.25 -0.05 0.31 0.00 -0.04 -1.21 -0.51 135.00 133.25 1jik n PRO 290 Ca 0.13 1.30 0.19 0.00 -0.04 0.00 0.00 63.50 65.08 1jik n PRO 290 Cb 0.80 -2.42 1.00 0.00 -0.04 0.00 0.00 33.50 32.85 1jik n PRO 290 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1jik h HIS 291 N 0.00 0.00 0.00 0.54 2.07 -1.93 -0.87 115.15 114.96 1jik h HIS 291 Ca 0.84 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.36 1jik h HIS 291 Cb 2.40 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.38 1jik h HIS 291 CO -0.01 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.13 1jik n LEU 292 N -3.21 0.00 -1.41 6.12 4.77 0.34 -4.90 117.00 118.72 1jik n LEU 292 Ca -0.02 0.47 -0.01 0.00 -0.03 0.00 0.00 56.01 56.43 1jik n LEU 292 Cb 0.23 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1jik n LEU 292 CO 0.20 -0.11 -0.01 0.54 -1.33 0.00 0.00 177.39 176.68 1jik n ARG 293 N -1.47 -1.53 -0.30 3.23 5.12 -0.33 -4.78 116.66 116.59 1jik n ARG 293 Ca 0.06 0.03 0.14 0.00 -1.93 0.00 0.00 57.85 56.15 1jik n ARG 293 Cb 0.25 -4.17 0.30 0.00 -1.16 0.00 0.00 32.46 27.67 1jik n ARG 293 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1jik h GLU 294 N 0.00 0.15 -0.01 5.56 4.81 -1.89 -1.16 114.58 122.03 1jik h GLU 294 Ca -0.01 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1jik h GLU 294 Cb 0.29 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1jik h GLU 294 CO 0.02 0.10 -0.66 0.00 -0.73 0.00 0.00 179.01 177.73 1jik h ALA 295 N 1.83 0.87 -0.06 2.92 0.00 -1.86 -2.23 119.26 120.72 1jik h ALA 295 Ca 0.57 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1jik h ALA 295 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1jik h ALA 295 CO -0.71 0.81 -0.14 1.96 0.00 0.00 0.00 179.25 181.17 1jik h GLN 296 N 0.05 0.20 -0.63 0.00 7.50 -1.60 -2.73 115.11 117.90 1jik h GLN 296 Ca -0.01 -0.13 0.12 0.00 0.50 0.00 0.00 58.65 59.13 1jik h GLN 296 Cb 1.18 0.02 -0.09 0.00 0.05 0.00 0.00 27.48 28.64 1jik h GLN 296 CO 0.09 0.73 0.15 -0.22 -1.50 0.00 0.00 178.83 178.08 1jik h LYS 297 N -0.30 0.27 -0.34 1.46 3.64 -1.22 -0.44 116.57 119.63 1jik h LYS 297 Ca -0.00 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1jik h LYS 297 Cb 0.73 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1jik h LYS 297 CO 0.03 0.18 -0.39 1.15 -2.27 0.00 0.00 179.45 178.15 1jik h THR 298 N 0.28 1.28 -0.01 1.00 2.02 -1.46 -2.82 112.91 113.19 1jik h THR 298 Ca 0.33 -1.57 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 1jik h THR 298 Cb 0.51 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1jik h THR 298 CO -0.42 0.52 0.01 0.25 0.37 0.00 0.00 175.52 176.25 1jik h LEU 299 N 0.67 0.02 -0.09 2.58 5.85 -1.03 0.11 115.31 123.42 1jik h LEU 299 Ca 0.05 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1jik h LEU 299 Cb 0.99 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1jik h LEU 299 CO 0.10 0.08 -0.42 0.00 -0.34 0.00 0.00 178.44 177.86 1jik h ALA 300 N 0.94 -0.79 -0.47 1.25 0.00 -1.16 0.91 119.26 119.95 1jik h ALA 300 Ca 0.01 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1jik h ALA 300 Cb 0.06 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1jik h ALA 300 CO -0.00 -0.94 0.21 0.93 0.00 0.00 0.00 179.25 179.45 1jik h GLU 301 N -0.45 0.40 -0.42 0.00 5.08 -1.45 -1.08 114.58 116.66 1jik h GLU 301 Ca 0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1jik h GLU 301 Cb 0.52 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1jik h GLU 301 CO -0.33 0.27 0.00 1.49 -1.00 0.00 0.00 179.01 179.44 1jik h GLU 302 N 0.42 0.68 0.00 2.33 4.57 -0.25 -1.75 114.58 120.58 1jik h GLU 302 Ca 0.21 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1jik h GLU 302 Cb 0.16 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1jik h GLU 302 CO -0.18 0.69 -0.86 0.28 -1.18 0.00 0.00 179.01 177.76 1jik h VAL 303 N 0.64 0.05 0.00 0.32 2.07 -0.56 -3.15 116.25 115.63 1jik h VAL 303 Ca 0.13 -1.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 1jik h VAL 303 Cb 0.39 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1jik h VAL 303 CO 0.01 0.03 -0.64 0.71 0.02 0.00 0.00 177.57 177.70 1jik h THR 304 N 0.00 0.89 0.11 2.57 1.35 -1.09 -3.00 112.91 113.75 1jik h THR 304 Ca -0.01 -2.29 -0.01 0.00 -0.55 0.00 0.00 66.41 63.55 1jik h THR 304 Cb 1.05 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1jik h THR 304 CO 0.00 0.51 -0.05 0.11 -0.25 0.00 0.00 175.52 175.84 1jik h LYS 305 N 0.00 -0.14 -0.53 4.72 1.57 -1.39 -1.37 116.57 119.43 1jik h LYS 305 Ca -0.02 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1jik h LYS 305 Cb 1.44 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 1jik h LYS 305 CO 0.07 0.35 0.43 0.35 -0.57 0.00 0.00 179.45 180.08 1jik h PHE 306 N -0.77 0.00 0.00 -1.35 3.57 -1.61 0.85 116.94 117.62 1jik h PHE 306 Ca -0.02 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 61.09 1jik h PHE 306 Cb 0.56 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 1jik h PHE 306 CO 0.10 0.00 -2.44 -0.89 -2.23 0.00 0.00 178.31 172.85 1jik n ILE 307 N -4.10 1.44 -0.56 1.41 2.08 -1.13 -4.68 119.36 113.82 1jik n ILE 307 Ca 0.10 -0.50 0.07 0.00 0.56 0.00 0.00 62.75 62.98 1jik n ILE 307 Cb 0.65 -1.51 0.21 0.00 -0.75 0.00 0.00 39.64 38.25 1jik n ILE 307 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1jik n HIS 308 N -3.48 0.72 -0.89 1.39 8.25 -0.52 -5.06 115.22 115.63 1jik n HIS 308 Ca -0.46 -0.67 0.02 0.00 -0.26 0.00 0.00 57.72 56.34 1jik n HIS 308 Cb 0.95 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.88 1jik n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jik n GLY 309 N 0.09 -3.44 0.29 -1.41 0.00 0.28 -3.36 105.19 97.64 1jik n GLY 309 Ca 0.16 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.22 1jik n GLY 309 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jik h GLU 310 N -0.08 0.00 0.00 1.61 4.57 -1.85 -0.58 114.58 118.24 1jik h GLU 310 Ca -0.02 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 1jik h GLU 310 Cb 0.60 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1jik h GLU 310 CO 0.01 0.00 -0.13 -0.44 -1.18 0.00 0.00 179.01 177.27 1jik h ASP 311 N 0.00 0.00 0.00 1.04 3.32 -1.95 -2.22 116.42 116.61 1jik h ASP 311 Ca 0.06 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.76 1jik h ASP 311 Cb 0.25 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 1jik h ASP 311 CO -0.00 0.13 -2.34 0.00 -1.72 0.00 0.00 179.24 175.31 1jik n ALA 312 N -2.22 1.51 -0.32 3.45 0.00 -0.78 -3.91 120.51 118.24 1jik n ALA 312 Ca -0.01 -1.23 0.17 0.00 0.00 0.00 0.00 53.44 52.37 1jik n ALA 312 Cb 0.30 -0.14 0.37 0.00 0.00 0.00 0.00 19.45 19.98 1jik n ALA 312 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jik h LEU 313 N 0.00 0.42 -0.20 0.00 7.12 -0.80 1.02 115.31 122.87 1jik h LEU 313 Ca -0.53 0.17 -0.07 0.00 0.13 0.00 0.00 57.88 57.58 1jik h LEU 313 Cb 2.12 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 42.38 1jik h LEU 313 CO 0.01 -0.04 -0.13 -0.55 -0.13 0.00 0.00 178.44 177.59 1jik h ASN 314 N 0.39 0.46 0.00 1.25 7.08 -1.59 -1.83 115.58 121.34 1jik h ASN 314 Ca 0.63 -0.44 0.00 0.00 -3.08 0.00 0.00 56.30 53.42 1jik h ASN 314 Cb 1.30 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1jik h ASN 314 CO -0.56 0.80 0.00 0.47 -2.08 0.00 0.00 177.43 176.06 1jik n ASP 315 N -4.52 0.43 -0.69 6.14 9.92 0.29 -0.36 116.55 127.76 1jik n ASP 315 Ca -0.05 -1.44 0.07 0.00 -0.53 0.00 0.00 54.79 52.84 1jik n ASP 315 Cb 0.35 -0.22 0.12 0.00 -0.64 0.00 0.00 41.12 40.73 1jik n ASP 315 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jik n ALA 316 N -0.11 2.38 0.00 2.24 0.00 0.22 -4.21 120.51 121.01 1jik n ALA 316 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1jik n ALA 316 Cb 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1jik n ALA 316 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1jik n ILE 317 N 0.83 0.00 -0.34 0.00 5.41 0.52 -4.64 119.36 121.13 1jik n ILE 317 Ca 0.11 0.00 0.20 0.00 1.00 0.00 0.00 62.75 64.06 1jik n ILE 317 Cb 0.41 0.00 0.44 0.00 -0.71 0.00 0.00 39.64 39.78 1jik n ILE 317 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1jik h ARG 318 N 0.00 0.48 -6.56 0.38 3.08 -1.06 -3.41 114.38 107.29 1jik h ARG 318 Ca 0.00 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.50 1jik h ARG 318 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1jik h ARG 318 CO 0.00 0.32 0.25 0.42 -1.07 0.00 0.00 179.97 179.89 1jik s ILE 319 N -5.67 4.35 0.00 2.04 -1.09 -1.26 -5.08 121.20 114.48 1jik s ILE 319 Ca -0.10 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1jik s ILE 319 Cb 0.27 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1jik s ILE 319 CO 0.80 0.47 0.00 -1.20 -1.23 0.00 0.00 174.94 173.77