#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ki9 h MET 1 N 0.00 0.78 -0.01 -1.46 -1.53 -2.04 -2.88 114.93 107.80 3ki9 h MET 1 Ca 0.00 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.18 3ki9 h MET 1 Cb 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 30.88 3ki9 h MET 1 CO 0.00 0.52 -0.11 -1.49 0.14 0.00 0.00 176.91 175.97 3ki9 h TRP 2 N 0.81 0.14 -0.79 1.39 4.06 -1.99 -2.68 115.95 116.88 3ki9 h TRP 2 Ca 0.56 -0.07 0.05 0.00 2.06 0.00 0.00 58.89 61.49 3ki9 h TRP 2 Cb 0.81 -0.02 -0.05 0.00 -1.00 0.00 0.00 29.16 28.89 3ki9 h TRP 2 CO -0.01 0.79 0.48 0.87 -3.56 0.00 0.00 178.44 177.02 3ki9 h LYS 3 N -0.55 0.88 0.03 0.49 1.57 -1.87 -0.88 116.57 116.23 3ki9 h LYS 3 Ca -0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3ki9 h LYS 3 Cb 0.81 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3ki9 h LYS 3 CO 0.02 0.58 -0.01 0.93 -0.57 0.00 0.00 179.45 180.40 3ki9 h GLU 4 N 0.91 -0.04 -0.28 3.15 5.08 -1.57 -1.52 114.58 120.31 3ki9 h GLU 4 Ca 0.33 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 3ki9 h GLU 4 Cb 0.12 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 3ki9 h GLU 4 CO -0.15 0.05 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.28 3ki9 h LYS 5 N -0.11 -0.37 -0.06 2.33 3.64 -1.05 -2.42 116.57 118.52 3ki9 h LYS 5 Ca -0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3ki9 h LYS 5 Cb 0.10 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3ki9 h LYS 5 CO 0.01 -0.25 -0.30 0.28 -2.27 0.00 0.00 179.45 176.92 3ki9 h VAL 6 N -0.39 0.33 -1.55 2.00 2.07 -0.99 0.39 116.25 118.11 3ki9 h VAL 6 Ca 0.11 0.00 0.45 0.00 0.82 0.00 0.00 66.70 68.08 3ki9 h VAL 6 Cb 0.59 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3ki9 h VAL 6 CO -0.49 0.00 1.11 0.06 0.02 0.00 0.00 177.57 178.27 3ki9 h GLN 7 N -0.42 0.00 0.00 1.57 -0.00 -0.78 1.50 115.11 116.99 3ki9 h GLN 7 Ca 0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3ki9 h GLN 7 Cb 0.53 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 3ki9 h GLN 7 CO -0.30 0.00 0.00 1.04 -0.00 0.00 0.00 178.83 179.58 3ki9 n GLN 8 N -4.07 0.05 -0.01 0.06 1.13 0.13 -1.62 117.38 113.04 3ki9 n GLN 8 Ca 0.34 0.26 0.01 0.00 -1.94 0.00 0.00 57.00 55.67 3ki9 n GLN 8 Cb 1.60 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 30.46 3ki9 n GLN 8 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3ki9 n TYR 9 N -1.44 0.01 -0.33 1.08 4.01 0.51 -4.81 117.16 116.19 3ki9 n TYR 9 Ca 0.04 -0.08 0.24 0.00 -0.16 0.00 0.00 57.90 57.94 3ki9 n TYR 9 Cb 0.13 -0.01 0.48 0.00 -0.31 0.00 0.00 39.34 39.63 3ki9 n TYR 9 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3ki9 h GLU 10 N 0.40 0.25 -0.00 -0.72 5.08 -1.18 0.13 114.58 118.54 3ki9 h GLU 10 Ca 0.00 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 3ki9 h GLU 10 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ki9 h GLU 10 CO 0.00 0.17 -0.85 -0.44 -1.00 0.00 0.00 179.01 176.89 3ki9 h ASP 11 N 0.26 0.24 -0.34 1.42 3.32 -1.87 -2.52 116.42 116.93 3ki9 h ASP 11 Ca 0.74 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.51 3ki9 h ASP 11 Cb 1.72 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.19 3ki9 h ASP 11 CO -0.64 0.98 -0.11 1.56 -1.72 0.00 0.00 179.24 179.31 3ki9 h GLN 12 N 0.11 0.68 -0.78 3.56 4.20 -1.13 -2.45 115.11 119.29 3ki9 h GLN 12 Ca -0.04 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 3ki9 h GLN 12 Cb 1.46 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.17 3ki9 h GLN 12 CO 0.13 0.86 0.40 0.82 -0.67 0.00 0.00 178.83 180.37 3ki9 h ILE 13 N 0.46 1.24 -0.45 2.54 2.04 -1.33 -1.04 117.51 120.97 3ki9 h ILE 13 Ca 0.08 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 3ki9 h ILE 13 Cb 0.63 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3ki9 h ILE 13 CO 0.04 0.27 0.02 0.40 0.00 0.00 0.00 178.15 178.88 3ki9 h ILE 14 N 1.08 1.26 0.22 -0.67 2.04 -1.39 -1.65 117.51 118.40 3ki9 h ILE 14 Ca 0.27 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3ki9 h ILE 14 Cb 0.07 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3ki9 h ILE 14 CO -0.04 0.35 -0.10 0.78 0.00 0.00 0.00 178.15 179.13 3ki9 h ASN 15 N 0.62 -0.25 -0.40 1.72 2.35 -1.01 -1.71 115.58 116.90 3ki9 h ASN 15 Ca 0.13 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3ki9 h ASN 15 Cb 0.46 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 3ki9 h ASN 15 CO 0.02 -0.17 0.21 0.44 -1.65 0.00 0.00 177.43 176.27 3ki9 h ASP 16 N -0.29 0.31 0.00 5.81 5.19 -1.15 -1.75 116.42 124.54 3ki9 h ASP 16 Ca -0.03 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.43 3ki9 h ASP 16 Cb 0.23 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 3ki9 h ASP 16 CO 0.05 0.22 -0.20 0.25 -3.12 0.00 0.00 179.24 176.44 3ki9 h LEU 17 N 0.42 -0.58 -0.50 1.55 5.85 -1.23 -2.28 115.31 118.54 3ki9 h LEU 17 Ca 0.17 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.03 3ki9 h LEU 17 Cb 0.07 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 3ki9 h LEU 17 CO -0.11 -0.27 -0.54 0.11 -0.34 0.00 0.00 178.44 177.29 3ki9 h LYS 18 N -0.32 -0.31 -0.90 1.25 1.57 -0.95 0.35 116.57 117.26 3ki9 h LYS 18 Ca 0.06 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.03 3ki9 h LYS 18 Cb 0.40 0.07 -0.17 0.00 0.08 0.00 0.00 32.23 32.61 3ki9 h LYS 18 CO -0.18 -0.21 -0.25 0.78 -0.57 0.00 0.00 179.45 179.02 3ki9 h GLY 19 N -0.33 0.56 1.75 3.86 0.00 -1.04 0.31 103.07 108.19 3ki9 h GLY 19 Ca 0.10 0.33 -0.17 0.00 0.00 0.00 0.00 47.33 47.59 3ki9 h GLY 19 CO -0.65 -0.32 -0.74 -2.00 0.00 0.00 0.00 176.54 172.83 3ki9 h LEU 20 N -0.01 0.29 -1.23 3.11 5.85 -0.28 -2.71 115.31 120.32 3ki9 h LEU 20 Ca 0.42 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3ki9 h LEU 20 Cb 0.65 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ki9 h LEU 20 CO -0.92 0.92 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.74 3ki9 h LEU 21 N 0.16 0.15 0.00 2.25 3.38 0.83 -3.12 115.31 118.96 3ki9 h LEU 21 Ca -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ki9 h LEU 21 Cb 1.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ki9 h LEU 21 CO 0.11 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.09 3ki9 n ALA 22 N -2.48 1.84 -2.59 1.53 0.00 -0.03 -4.65 120.51 114.13 3ki9 n ALA 22 Ca -0.01 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 3ki9 n ALA 22 Cb 0.37 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.47 3ki9 n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ki9 s ILE 23 N -2.77 5.14 -1.32 0.00 1.01 -1.18 -4.86 121.20 117.23 3ki9 s ILE 23 Ca 0.12 0.50 -0.17 0.00 0.00 0.00 0.00 60.65 61.10 3ki9 s ILE 23 Cb 0.11 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.85 3ki9 s ILE 23 CO 0.27 0.07 1.95 1.21 0.00 0.00 0.00 174.94 178.45 3ki9 n GLU 24 N 5.41 2.85 -1.71 2.79 2.13 -1.26 -4.80 120.64 126.05 3ki9 n GLU 24 Ca -0.08 -2.88 -0.39 0.00 0.66 0.00 0.00 57.16 54.47 3ki9 n GLU 24 Cb 0.50 -3.40 -0.02 0.00 0.27 0.00 0.00 31.44 28.80 3ki9 n GLU 24 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3ki9 n SER 25 N 7.89 8.34 -4.82 4.31 3.41 -1.26 -4.15 113.62 127.34 3ki9 n SER 25 Ca 0.50 -2.91 -0.36 0.00 -0.26 0.00 0.00 58.87 55.83 3ki9 n SER 25 Cb 0.43 -1.44 -0.07 0.00 -0.26 0.00 0.00 64.21 62.87 3ki9 n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ki9 s VAL 26 N 0.18 5.41 0.38 -3.33 1.01 -1.26 -1.58 120.40 121.20 3ki9 s VAL 26 Ca 0.61 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.62 3ki9 s VAL 26 Cb 0.18 -3.48 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 3ki9 s VAL 26 CO -0.08 0.54 1.38 -1.14 0.00 0.00 0.00 175.10 175.79 3ki9 n ARG 27 N 2.57 2.30 -3.37 2.72 0.63 -1.26 -4.53 116.66 115.72 3ki9 n ARG 27 Ca -0.17 0.81 -0.14 0.00 -0.92 0.00 0.00 57.85 57.43 3ki9 n ARG 27 Cb 0.54 -2.50 -0.09 0.00 0.45 0.00 0.00 32.46 30.86 3ki9 n ARG 27 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3ki9 s ASP 28 N -0.31 1.04 0.31 6.15 -1.08 -0.67 -5.02 116.67 117.09 3ki9 s ASP 28 Ca 0.56 -0.42 0.26 0.00 -0.52 0.00 0.00 52.55 52.43 3ki9 s ASP 28 Cb -0.51 0.77 0.86 0.00 -1.46 0.00 0.00 42.92 42.58 3ki9 s ASP 28 CO 0.61 -0.36 1.76 0.44 0.52 0.00 0.00 175.17 178.15 3ki9 h ASP 29 N 8.23 0.00 0.88 -0.34 3.32 -1.94 -2.63 116.42 123.93 3ki9 h ASP 29 Ca -0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 3ki9 h ASP 29 Cb 1.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 3ki9 h ASP 29 CO 0.30 0.00 -0.01 0.00 -1.72 0.00 0.00 179.24 177.81 3ki9 h ALA 30 N 2.29 1.01 -0.35 3.45 0.00 -1.95 -2.47 119.26 121.23 3ki9 h ALA 30 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ki9 h ALA 30 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ki9 h ALA 30 CO 0.00 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.90 3ki9 n LYS 31 N -3.12 2.88 -1.70 0.00 4.76 -1.00 -5.03 118.16 114.95 3ki9 n LYS 31 Ca 0.00 -2.06 -0.42 0.00 -2.87 0.00 0.00 58.31 52.96 3ki9 n LYS 31 Cb 0.28 -1.27 -0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3ki9 n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ki9 n ALA 32 N 0.51 1.38 -3.53 7.82 0.00 -0.93 -4.51 120.51 121.25 3ki9 n ALA 32 Ca 0.12 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.81 3ki9 n ALA 32 Cb 0.43 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 3ki9 n ALA 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ki9 s SER 33 N -0.34 -0.29 0.44 0.00 1.04 0.16 -4.94 113.70 109.78 3ki9 s SER 33 Ca 0.56 -0.51 0.13 0.00 0.48 0.00 0.00 55.95 56.61 3ki9 s SER 33 Cb -0.55 0.64 1.03 0.00 0.10 0.00 0.00 66.02 67.25 3ki9 s SER 33 CO 0.62 -1.17 2.03 -0.08 0.98 0.00 0.00 173.24 175.62 3ki9 h GLU 34 N 2.10 0.36 0.00 4.02 4.81 -1.93 0.32 114.58 124.25 3ki9 h GLU 34 Ca -0.25 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 3ki9 h GLU 34 Cb 1.26 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3ki9 h GLU 34 CO 0.32 0.24 -0.63 -0.44 -0.73 0.00 0.00 179.01 177.77 3ki9 h ASP 35 N 0.37 0.00 -2.05 1.04 3.32 -1.95 -3.38 116.42 113.77 3ki9 h ASP 35 Ca 0.20 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.68 3ki9 h ASP 35 Cb 0.32 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.48 3ki9 h ASP 35 CO -0.05 0.63 -1.02 0.00 -1.72 0.00 0.00 179.24 177.08 3ki9 n ALA 36 N -2.29 2.72 -0.34 3.45 0.00 0.57 -4.85 120.51 119.77 3ki9 n ALA 36 Ca 0.01 -3.63 0.21 0.00 0.00 0.00 0.00 53.44 50.03 3ki9 n ALA 36 Cb 0.74 -0.82 0.43 0.00 0.00 0.00 0.00 19.45 19.80 3ki9 n ALA 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ki9 h PRO 37 N 4.08 0.44 0.00 0.00 0.11 -0.72 0.10 132.00 136.01 3ki9 h PRO 37 Ca 0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3ki9 h PRO 37 Cb 0.84 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3ki9 h PRO 37 CO 0.52 0.29 -0.17 1.33 -0.21 0.00 0.00 178.00 179.76 3ki9 n VAL 38 N -4.97 1.82 0.00 3.15 0.24 -1.26 -4.40 118.33 112.91 3ki9 n VAL 38 Ca 0.29 -2.35 0.00 0.00 -2.04 0.00 0.00 64.34 60.24 3ki9 n VAL 38 Cb 0.87 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 3ki9 n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ki9 n GLY 39 N -1.24 2.47 0.27 7.63 0.00 -0.07 -1.67 105.19 112.58 3ki9 n GLY 39 Ca 0.16 -1.94 0.04 0.00 0.00 0.00 0.00 46.02 44.27 3ki9 n GLY 39 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ki9 h PRO 40 N 0.00 0.08 0.29 1.61 0.11 -1.83 -3.12 132.00 129.14 3ki9 h PRO 40 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3ki9 h PRO 40 Cb 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3ki9 h PRO 40 CO 0.00 0.06 -0.20 0.78 -0.21 0.00 0.00 178.00 178.43 3ki9 h GLY 41 N 0.09 -0.76 0.33 -0.55 0.00 -1.80 -1.38 103.07 99.00 3ki9 h GLY 41 Ca 0.38 0.32 0.13 0.00 0.00 0.00 0.00 47.33 48.17 3ki9 h GLY 41 CO -0.65 -0.26 0.50 -2.55 0.00 0.00 0.00 176.54 173.57 3ki9 h PRO 42 N -0.46 0.72 -0.17 4.80 0.11 -1.74 -0.87 132.00 134.38 3ki9 h PRO 42 Ca -0.04 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.06 3ki9 h PRO 42 Cb 0.38 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 3ki9 h PRO 42 CO 0.03 0.48 -0.00 -0.09 -0.21 0.00 0.00 178.00 178.20 3ki9 h ARG 43 N 0.74 0.05 -0.82 1.05 9.65 -1.47 -1.36 114.38 122.22 3ki9 h ARG 43 Ca 0.46 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.30 3ki9 h ARG 43 Cb 0.58 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 3ki9 h ARG 43 CO -0.32 0.03 0.36 -0.22 2.80 0.00 0.00 179.97 182.62 3ki9 h LYS 44 N 0.05 1.21 -0.43 0.20 3.64 -0.24 -2.23 116.57 118.77 3ki9 h LYS 44 Ca 0.08 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3ki9 h LYS 44 Cb 0.10 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3ki9 h LYS 44 CO -0.14 0.96 0.11 0.00 -2.27 0.00 0.00 179.45 178.11 3ki9 h ALA 45 N 1.19 1.39 -0.13 5.00 0.00 -0.81 -1.58 119.26 124.32 3ki9 h ALA 45 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3ki9 h ALA 45 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ki9 h ALA 45 CO -0.03 0.44 0.05 1.25 0.00 0.00 0.00 179.25 180.97 3ki9 h LEU 46 N 0.63 0.17 -1.30 0.00 5.85 -0.66 -2.90 115.31 117.10 3ki9 h LEU 46 Ca 0.14 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3ki9 h LEU 46 Cb 0.22 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3ki9 h LEU 46 CO -0.00 0.29 -0.24 0.44 -0.34 0.00 0.00 178.44 178.58 3ki9 h ASP 47 N 0.05 0.16 -0.83 1.25 3.32 -1.24 -1.83 116.42 117.30 3ki9 h ASP 47 Ca 0.04 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3ki9 h ASP 47 Cb 0.17 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 3ki9 h ASP 47 CO -0.00 0.41 0.55 0.22 -1.72 0.00 0.00 179.24 178.70 3ki9 h TYR 48 N 0.15 0.99 -0.01 4.55 3.20 -1.14 0.16 116.97 124.88 3ki9 h TYR 48 Ca 0.03 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3ki9 h TYR 48 Cb 0.52 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3ki9 h TYR 48 CO 0.01 0.58 -0.50 0.52 -1.64 0.00 0.00 178.16 177.13 3ki9 h MET 49 N 1.03 0.01 -0.19 1.82 2.86 -1.15 -2.78 114.93 116.54 3ki9 h MET 49 Ca 0.33 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.82 3ki9 h MET 49 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3ki9 h MET 49 CO -0.10 0.51 -0.48 1.88 1.06 0.00 0.00 176.91 179.79 3ki9 h TYR 50 N 0.01 0.60 0.66 -0.22 0.05 -0.49 -2.86 116.97 114.71 3ki9 h TYR 50 Ca -0.00 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.55 3ki9 h TYR 50 Cb 0.89 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 38.51 3ki9 h TYR 50 CO 0.00 0.87 -0.32 0.93 -1.05 0.00 0.00 178.16 178.60 3ki9 h GLU 51 N 0.39 -0.85 -0.56 4.88 5.08 -0.54 -0.07 114.58 122.92 3ki9 h GLU 51 Ca 0.02 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ki9 h GLU 51 Cb 0.98 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 3ki9 h GLU 51 CO 0.09 -0.57 0.33 -0.84 -1.00 0.00 0.00 179.01 177.02 3ki9 h ILE 52 N -1.07 1.16 0.01 3.13 3.07 -1.63 0.48 117.51 122.66 3ki9 h ILE 52 Ca -0.09 -0.35 0.00 0.00 1.55 0.00 0.00 64.86 65.97 3ki9 h ILE 52 Cb 0.68 0.38 -0.01 0.00 -0.27 0.00 0.00 36.82 37.59 3ki9 h ILE 52 CO 0.15 0.17 -0.13 0.00 -1.05 0.00 0.00 178.15 177.29 3ki9 h ALA 53 N 1.61 -0.63 -0.42 0.16 0.00 -1.44 -0.40 119.26 118.13 3ki9 h ALA 53 Ca 0.20 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3ki9 h ALA 53 Cb -0.03 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3ki9 h ALA 53 CO -0.04 -0.67 -0.35 0.45 0.00 0.00 0.00 179.25 178.64 3ki9 h HIS 54 N -0.17 -0.98 -0.99 0.00 3.86 0.30 0.28 115.15 117.44 3ki9 h HIS 54 Ca 0.00 0.06 0.36 0.00 -1.16 0.00 0.00 60.37 59.63 3ki9 h HIS 54 Cb 0.18 0.49 -0.17 0.00 1.06 0.00 0.00 27.41 28.97 3ki9 h HIS 54 CO -0.37 -0.40 0.40 -0.09 0.86 0.00 0.00 177.93 178.34 3ki9 h ARG 55 N -0.26 0.05 -0.24 2.45 2.43 0.19 0.98 114.38 119.98 3ki9 h ARG 55 Ca 0.17 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3ki9 h ARG 55 Cb 0.55 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3ki9 h ARG 55 CO -0.56 0.04 0.00 -0.25 -1.51 0.00 0.00 179.97 177.68 3ki9 n ASP 56 N -5.29 2.18 0.00 -3.80 8.00 0.87 -4.93 116.55 113.58 3ki9 n ASP 56 Ca 0.33 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3ki9 n ASP 56 Cb 1.09 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 3ki9 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ki9 n GLY 57 N 1.23 0.75 3.77 0.44 0.00 0.34 -5.05 105.19 106.66 3ki9 n GLY 57 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3ki9 n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ki9 s PHE 58 N -2.75 3.90 0.20 1.61 0.08 -0.88 -4.94 117.98 115.19 3ki9 s PHE 58 Ca 0.00 1.76 -0.30 0.00 0.12 0.00 0.00 56.93 58.51 3ki9 s PHE 58 Cb 0.00 -2.87 -0.08 0.00 -0.57 0.00 0.00 43.02 39.50 3ki9 s PHE 58 CO 0.00 0.45 0.97 0.99 -0.10 0.00 0.00 175.22 177.52 3ki9 s THR 59 N -1.24 4.17 0.31 0.64 2.01 -1.25 -3.62 115.64 116.67 3ki9 s THR 59 Ca 0.40 2.02 0.10 0.00 0.31 0.00 0.00 61.69 64.52 3ki9 s THR 59 Cb -0.23 -4.29 -0.06 0.00 0.01 0.00 0.00 72.50 67.93 3ki9 s THR 59 CO 0.28 0.42 -0.12 0.42 -0.69 0.00 0.00 174.62 174.93 3ki9 s THR 60 N -0.73 2.20 -0.08 -0.82 -4.23 -1.26 -0.38 115.64 110.35 3ki9 s THR 60 Ca 0.44 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 3ki9 s THR 60 Cb -0.26 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.11 3ki9 s THR 60 CO 0.32 -0.28 0.16 -2.28 -0.54 0.00 0.00 174.62 172.00 3ki9 s HIS 61 N -2.65 -0.19 0.27 3.99 5.04 -0.74 -4.97 115.29 116.04 3ki9 s HIS 61 Ca 0.31 0.56 0.06 0.00 -1.54 0.00 0.00 55.06 54.45 3ki9 s HIS 61 Cb 0.01 -0.11 -0.03 0.00 0.04 0.00 0.00 32.58 32.49 3ki9 s HIS 61 CO 0.15 -0.20 0.36 0.34 -2.34 0.00 0.00 174.74 173.05 3ki9 s ASP 62 N 1.48 6.06 -0.33 9.88 2.15 -1.26 -0.85 116.67 133.80 3ki9 s ASP 62 Ca -0.06 -0.07 -0.00 0.00 0.43 0.00 0.00 52.55 52.84 3ki9 s ASP 62 Cb -0.12 -1.58 0.13 0.00 -0.30 0.00 0.00 42.92 41.06 3ki9 s ASP 62 CO -0.06 -0.17 0.26 -0.69 -0.17 0.00 0.00 175.17 174.34 3ki9 s VAL 63 N -2.07 -0.19 -1.35 1.11 1.01 -0.07 -4.91 120.40 113.93 3ki9 s VAL 63 Ca 0.37 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 3ki9 s VAL 63 Cb -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3ki9 s VAL 63 CO 0.29 -0.67 0.06 0.47 0.00 0.00 0.00 175.10 175.24 3ki9 n ASP 64 N 4.72 -4.72 -2.94 3.32 8.00 -1.26 -1.93 116.55 121.74 3ki9 n ASP 64 Ca 0.04 0.07 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 3ki9 n ASP 64 Cb 0.43 -3.95 -0.01 0.00 -0.02 0.00 0.00 41.12 37.57 3ki9 n ASP 64 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ki9 n HIS 65 N -3.69 -1.68 -0.01 1.24 8.25 -1.26 -4.73 115.22 113.34 3ki9 n HIS 65 Ca -0.17 0.23 -0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3ki9 n HIS 65 Cb 0.64 -2.38 -0.02 0.00 1.12 0.00 0.00 29.99 29.35 3ki9 n HIS 65 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3ki9 n ILE 66 N -3.44 0.09 -3.74 1.59 0.13 -0.81 -4.55 119.36 108.62 3ki9 n ILE 66 Ca -0.05 -0.07 -0.05 0.00 -1.10 0.00 0.00 62.75 61.48 3ki9 n ILE 66 Cb 0.55 -0.46 -0.02 0.00 -0.84 0.00 0.00 39.64 38.88 3ki9 n ILE 66 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ki9 s ALA 67 N -2.08 -1.54 0.06 1.51 0.00 -1.17 -2.94 121.76 115.61 3ki9 s ALA 67 Ca -0.01 0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 3ki9 s ALA 67 Cb 0.01 0.70 0.09 0.00 0.00 0.00 0.00 23.12 23.92 3ki9 s ALA 67 CO 0.08 -0.99 1.17 0.20 0.00 0.00 0.00 175.76 176.22 3ki9 s GLY 68 N -2.88 -0.17 0.32 0.00 0.00 -1.02 -0.89 107.32 102.68 3ki9 s GLY 68 Ca 0.10 0.16 0.06 0.00 0.00 0.00 0.00 44.72 45.04 3ki9 s GLY 68 CO 0.02 2.21 -0.02 1.09 0.00 0.00 0.00 173.10 176.40 3ki9 s ARG 69 N -2.37 1.67 -0.08 2.90 1.70 -0.03 -1.01 118.95 121.72 3ki9 s ARG 69 Ca 0.20 -1.88 0.05 0.00 -0.47 0.00 0.00 55.73 53.63 3ki9 s ARG 69 Cb 0.01 -1.22 -0.01 0.00 -0.57 0.00 0.00 34.95 33.16 3ki9 s ARG 69 CO 0.00 -0.02 -0.24 0.42 -1.08 0.00 0.00 175.30 174.39 3ki9 s ILE 70 N -2.99 2.14 -0.12 4.99 1.01 -0.85 -1.79 121.20 123.58 3ki9 s ILE 70 Ca 0.32 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3ki9 s ILE 70 Cb 0.06 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3ki9 s ILE 70 CO 0.14 0.56 0.06 -1.61 0.00 0.00 0.00 174.94 174.10 3ki9 s GLU 71 N 0.03 3.38 0.06 2.79 2.02 0.48 -2.59 118.70 124.88 3ki9 s GLU 71 Ca -0.09 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.60 3ki9 s GLU 71 Cb -0.15 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.05 3ki9 s GLU 71 CO 0.06 0.62 0.00 0.00 0.02 0.00 0.00 175.26 175.96 3ki9 n ALA 72 N 2.43 3.00 -1.08 5.21 0.00 -0.96 -3.74 120.51 125.38 3ki9 n ALA 72 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3ki9 n ALA 72 Cb 0.54 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.16 3ki9 n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ki9 n GLY 73 N 2.14 -0.81 3.28 0.00 0.00 -1.26 -4.79 105.19 103.75 3ki9 n GLY 73 Ca 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 3ki9 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ki9 s LYS 74 N -1.47 0.40 0.00 1.61 -2.85 -1.14 -4.68 119.74 111.61 3ki9 s LYS 74 Ca 0.00 0.80 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 3ki9 s LYS 74 Cb 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 3ki9 s LYS 74 CO 0.00 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 175.70 3ki9 n GLY 75 N 4.23 0.14 0.10 0.59 0.00 -1.26 -2.91 105.19 106.08 3ki9 n GLY 75 Ca -0.23 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 3ki9 n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ki9 h ASN 76 N 0.00 -0.11 -4.27 1.61 -0.26 -1.97 -3.40 115.58 107.19 3ki9 h ASN 76 Ca 0.00 -0.47 -0.51 0.00 -0.56 0.00 0.00 56.30 54.76 3ki9 h ASN 76 Cb 0.00 0.03 0.06 0.00 -1.06 0.00 0.00 38.32 37.34 3ki9 h ASN 76 CO 0.00 0.48 0.39 -1.81 -1.06 0.00 0.00 177.43 175.43 3ki9 s ASP 77 N -5.63 6.25 -0.07 5.81 1.11 -1.26 -4.90 116.67 117.98 3ki9 s ASP 77 Ca -0.14 1.38 -0.02 0.00 0.18 0.00 0.00 52.55 53.94 3ki9 s ASP 77 Cb 0.00 -2.45 0.03 0.00 1.07 0.00 0.00 42.92 41.58 3ki9 s ASP 77 CO 0.56 -0.82 0.05 0.54 1.18 0.00 0.00 175.17 176.67 3ki9 s VAL 78 N -3.11 0.07 -0.43 -1.27 0.11 -1.26 -0.88 120.40 113.64 3ki9 s VAL 78 Ca 0.54 0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 59.55 3ki9 s VAL 78 Cb -0.11 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3ki9 s VAL 78 CO 0.52 0.13 0.94 -0.22 -3.33 0.00 0.00 175.10 173.13 3ki9 s LEU 79 N 2.09 3.98 0.24 2.54 2.96 -0.02 -1.11 118.68 129.37 3ki9 s LEU 79 Ca 0.04 0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.09 3ki9 s LEU 79 Cb -0.13 -3.24 -0.08 0.00 0.50 0.00 0.00 46.19 43.24 3ki9 s LEU 79 CO -0.05 -0.98 0.72 -0.83 -1.32 0.00 0.00 176.35 173.89 3ki9 s GLY 80 N 2.12 2.53 -0.25 7.98 0.00 0.30 -1.80 107.32 118.22 3ki9 s GLY 80 Ca 0.38 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 45.19 3ki9 s GLY 80 CO 0.24 0.43 0.08 -0.42 0.00 0.00 0.00 173.10 173.42 3ki9 s ILE 81 N -1.64 0.46 -0.42 0.90 1.01 -0.49 -2.01 121.20 119.01 3ki9 s ILE 81 Ca 0.45 -0.82 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 3ki9 s ILE 81 Cb -0.15 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.17 3ki9 s ILE 81 CO 0.20 -0.46 0.73 -0.76 0.00 0.00 0.00 174.94 174.65 3ki9 s LEU 82 N 1.86 4.28 0.01 2.97 1.02 -0.64 -1.18 118.68 127.00 3ki9 s LEU 82 Ca 0.04 -0.03 0.07 0.00 0.02 0.00 0.00 54.13 54.23 3ki9 s LEU 82 Cb -0.17 -2.90 -0.03 0.00 0.02 0.00 0.00 46.19 43.11 3ki9 s LEU 82 CO -0.19 -0.81 -0.20 0.00 0.02 0.00 0.00 176.35 175.17 3ki9 s HIS 84 N -0.80 3.06 0.00 0.00 -3.43 -1.26 0.79 115.29 113.65 3ki9 s HIS 84 Ca 0.13 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 3ki9 s HIS 84 Cb -0.10 -1.47 0.00 0.00 -1.43 0.00 0.00 32.58 29.58 3ki9 s HIS 84 CO 0.02 0.52 0.00 1.55 -2.00 0.00 0.00 174.74 174.83 3ki9 n VAL 85 N -0.27 0.00 -1.54 -5.38 3.14 -0.08 -4.61 118.33 109.59 3ki9 n VAL 85 Ca -0.09 -0.28 -0.30 0.00 -2.96 0.00 0.00 64.34 60.72 3ki9 n VAL 85 Cb 0.55 0.98 0.11 0.00 -1.06 0.00 0.00 33.84 34.42 3ki9 n VAL 85 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 3ki9 s ASP 86 N -0.59 4.14 0.08 6.55 3.84 -1.25 -4.82 116.67 124.61 3ki9 s ASP 86 Ca 0.00 1.19 -0.12 0.00 -0.00 0.00 0.00 52.55 53.62 3ki9 s ASP 86 Cb 0.00 -1.87 0.01 0.00 -1.38 0.00 0.00 42.92 39.68 3ki9 s ASP 86 CO 0.00 -2.18 0.27 -0.69 -0.00 0.00 0.00 175.17 172.57 3ki9 s VAL 87 N -3.19 0.10 0.33 2.11 1.01 -0.62 -4.63 120.40 115.52 3ki9 s VAL 87 Ca 0.62 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 3ki9 s VAL 87 Cb -0.15 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 3ki9 s VAL 87 CO 0.54 -0.48 0.78 0.68 0.00 0.00 0.00 175.10 176.62 3ki9 s VAL 88 N -3.29 4.61 0.93 2.92 -7.23 -1.26 -4.40 120.40 112.69 3ki9 s VAL 88 Ca 0.00 1.09 -0.12 0.00 -1.81 0.00 0.00 61.98 61.15 3ki9 s VAL 88 Cb 0.02 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.38 3ki9 s VAL 88 CO -0.08 -0.16 0.62 -0.81 -0.31 0.00 0.00 175.10 174.36 3ki9 n PRO 89 N -0.29 -0.32 -5.11 4.82 -0.04 -1.26 -4.96 135.00 127.84 3ki9 n PRO 89 Ca 0.04 -0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.13 3ki9 n PRO 89 Cb 0.53 -2.00 -0.15 0.00 -0.04 0.00 0.00 33.50 31.83 3ki9 n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ki9 s ALA 90 N -2.44 2.36 0.30 0.55 0.00 -1.26 -5.04 121.76 116.23 3ki9 s ALA 90 Ca 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3ki9 s ALA 90 Cb -0.22 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3ki9 s ALA 90 CO 0.64 0.46 0.00 0.41 0.00 0.00 0.00 175.76 177.28 3ki9 n GLY 91 N 2.71 1.11 3.93 0.00 0.00 -1.26 -5.11 105.19 106.56 3ki9 n GLY 91 Ca -0.17 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 3ki9 n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ki9 s ASP 92 N -1.00 4.21 0.00 1.61 1.11 -1.26 -4.52 116.67 116.81 3ki9 s ASP 92 Ca 0.00 0.41 0.00 0.00 0.18 0.00 0.00 52.55 53.14 3ki9 s ASP 92 Cb 0.00 -0.82 0.00 0.00 1.07 0.00 0.00 42.92 43.17 3ki9 s ASP 92 CO 0.00 -2.03 0.00 0.61 1.18 0.00 0.00 175.17 174.93 3ki9 n GLY 93 N -3.26 0.72 3.78 0.21 0.00 -1.26 -5.00 105.19 100.38 3ki9 n GLY 93 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3ki9 n GLY 93 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ki9 s TRP 94 N -2.23 3.06 -1.52 1.61 0.52 -1.26 -4.91 118.94 114.20 3ki9 s TRP 94 Ca 0.00 1.59 0.14 0.00 0.02 0.00 0.00 56.10 57.85 3ki9 s TRP 94 Cb 0.00 -3.25 0.50 0.00 -1.15 0.00 0.00 33.47 29.57 3ki9 s TRP 94 CO 0.00 -1.08 1.39 -0.25 0.02 0.00 0.00 176.95 177.03 3ki9 n ASP 95 N -0.32 3.30 -3.47 2.95 8.00 -1.26 -4.93 116.55 120.83 3ki9 n ASP 95 Ca 0.06 -2.21 -0.06 0.00 0.71 0.00 0.00 54.79 53.30 3ki9 n ASP 95 Cb 0.49 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3ki9 n ASP 95 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ki9 s SER 96 N -0.86 -0.11 -0.49 -2.24 1.04 -1.26 -5.11 113.70 104.68 3ki9 s SER 96 Ca 0.36 -0.71 -0.29 0.00 0.48 0.00 0.00 55.95 55.79 3ki9 s SER 96 Cb 0.22 0.65 0.03 0.00 0.10 0.00 0.00 66.02 67.01 3ki9 s SER 96 CO 0.20 -1.24 1.14 0.21 0.98 0.00 0.00 173.24 174.52 3ki9 s ASN 97 N -3.07 6.60 0.51 7.02 3.84 -1.26 -4.89 114.94 123.68 3ki9 s ASN 97 Ca 0.15 0.39 0.35 0.00 0.21 0.00 0.00 52.86 53.96 3ki9 s ASN 97 Cb -0.04 -2.55 1.50 0.00 -0.55 0.00 0.00 41.25 39.62 3ki9 s ASN 97 CO 0.07 -1.28 1.73 1.55 -2.79 0.00 0.00 177.10 176.37 3ki9 h PRO 98 N 9.28 0.08 -0.24 0.43 0.13 -1.97 0.23 132.00 139.94 3ki9 h PRO 98 Ca -0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3ki9 h PRO 98 Cb 1.06 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3ki9 h PRO 98 CO 1.13 0.05 0.00 1.19 -0.23 0.00 0.00 178.00 180.14 3ki9 n PHE 99 N -4.28 0.49 -3.78 1.56 3.72 -1.26 -1.16 117.46 112.74 3ki9 n PHE 99 Ca 0.31 -0.65 -0.35 0.00 -0.05 0.00 0.00 57.45 56.70 3ki9 n PHE 99 Cb 1.37 -0.12 -0.11 0.00 -0.94 0.00 0.00 39.48 39.67 3ki9 n PHE 99 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3ki9 s GLU 100 N -1.69 2.19 0.23 -1.08 2.02 0.82 -4.19 118.70 117.00 3ki9 s GLU 100 Ca 0.26 -2.18 -0.31 0.00 0.02 0.00 0.00 54.97 52.75 3ki9 s GLU 100 Cb 0.18 -3.59 -0.14 0.00 0.10 0.00 0.00 34.13 30.68 3ki9 s GLU 100 CO 0.10 -1.11 1.41 -0.35 0.02 0.00 0.00 175.26 175.33 3ki9 n PRO 101 N 3.99 2.00 -4.30 0.39 -0.04 -1.26 -4.52 135.00 131.26 3ki9 n PRO 101 Ca 0.03 0.71 -0.33 0.00 -0.04 0.00 0.00 63.50 63.87 3ki9 n PRO 101 Cb 0.39 -2.37 -0.09 0.00 -0.04 0.00 0.00 33.50 31.39 3ki9 n PRO 101 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ki9 s VAL 102 N -0.00 4.18 -0.18 0.52 1.01 -0.84 -4.95 120.40 120.13 3ki9 s VAL 102 Ca 0.69 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3ki9 s VAL 102 Cb -0.66 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 32.92 3ki9 s VAL 102 CO 0.49 0.41 -0.06 0.54 0.00 0.00 0.00 175.10 176.48 3ki9 s VAL 103 N -1.05 1.25 0.55 2.92 0.11 -1.26 0.01 120.40 122.92 3ki9 s VAL 103 Ca 0.19 -0.76 0.09 0.00 -2.93 0.00 0.00 61.98 58.57 3ki9 s VAL 103 Cb -0.11 -1.42 0.07 0.00 -1.53 0.00 0.00 36.38 33.39 3ki9 s VAL 103 CO 0.09 0.11 0.72 0.42 -3.33 0.00 0.00 175.10 173.11 3ki9 s THR 104 N 1.57 2.19 0.31 5.04 -4.23 -0.15 -4.98 115.64 115.38 3ki9 s THR 104 Ca -0.00 -1.06 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 3ki9 s THR 104 Cb -0.16 -2.25 0.39 0.00 1.34 0.00 0.00 72.50 71.82 3ki9 s THR 104 CO -0.08 0.00 1.59 -0.08 -0.54 0.00 0.00 174.62 175.51 3ki9 h GLU 105 N 0.30 0.04 0.00 3.99 4.57 -2.04 -3.21 114.58 118.23 3ki9 h GLU 105 Ca -0.32 -0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.66 3ki9 h GLU 105 Cb 1.29 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 3ki9 h GLU 105 CO 0.43 0.03 -1.94 -0.25 -1.18 0.00 0.00 179.01 176.10 3ki9 n ASP 106 N -5.43 1.37 -1.22 1.04 8.00 -1.26 -4.93 116.55 114.13 3ki9 n ASP 106 Ca 0.23 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 3ki9 n ASP 106 Cb 0.77 1.08 -0.01 0.00 -0.02 0.00 0.00 41.12 42.95 3ki9 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ki9 n ALA 107 N -2.42 0.02 -3.59 2.24 0.00 -1.21 0.02 120.51 115.56 3ki9 n ALA 107 Ca -0.19 -0.18 -0.24 0.00 0.00 0.00 0.00 53.44 52.84 3ki9 n ALA 107 Cb 0.83 0.15 -0.17 0.00 0.00 0.00 0.00 19.45 20.27 3ki9 n ALA 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ki9 s ILE 108 N -2.31 0.92 -0.20 0.00 1.09 0.87 -0.98 121.20 120.59 3ki9 s ILE 108 Ca 0.04 -0.32 -0.10 0.00 -1.10 0.00 0.00 60.65 59.16 3ki9 s ILE 108 Cb 0.00 -0.89 -0.05 0.00 -1.06 0.00 0.00 42.46 40.47 3ki9 s ILE 108 CO 0.03 0.32 0.13 -0.63 -0.10 0.00 0.00 174.94 174.69 3ki9 s ILE 109 N 0.96 5.40 0.00 2.92 1.01 0.10 -2.28 121.20 129.31 3ki9 s ILE 109 Ca -0.10 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3ki9 s ILE 109 Cb -0.15 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3ki9 s ILE 109 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 174.94 175.37 3ki9 n ALA 110 N 3.59 0.00 -1.69 9.38 0.00 -0.25 -1.98 120.51 129.57 3ki9 n ALA 110 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 3ki9 n ALA 110 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 3ki9 n ALA 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ki9 n ARG 111 N -0.69 2.38 -0.05 0.00 3.00 -0.31 -1.47 116.66 119.53 3ki9 n ARG 111 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.85 58.71 3ki9 n ARG 111 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 32.46 29.79 3ki9 n ARG 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ki9 n GLY 112 N 3.69 0.55 0.31 5.14 0.00 -1.25 -4.93 105.19 108.69 3ki9 n GLY 112 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 3ki9 n GLY 112 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ki9 h THR 113 N 0.00 1.10 0.00 2.61 1.35 -1.57 0.29 112.91 116.70 3ki9 h THR 113 Ca 0.00 -0.33 -0.24 0.00 -0.55 0.00 0.00 66.41 65.29 3ki9 h THR 113 Cb 0.00 0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 66.43 3ki9 h THR 113 CO 0.00 0.18 -1.29 0.25 -0.25 0.00 0.00 175.52 174.40 3ki9 h LEU 114 N 0.98 0.02 -7.46 3.87 5.85 -1.81 -2.24 115.31 114.51 3ki9 h LEU 114 Ca 0.33 -0.52 -0.53 0.00 0.84 0.00 0.00 57.88 57.99 3ki9 h LEU 114 Cb 0.04 -0.01 -0.39 0.00 0.37 0.00 0.00 40.66 40.68 3ki9 h LEU 114 CO -0.12 1.51 -0.78 -0.62 -0.34 0.00 0.00 178.44 178.09 3ki9 s ASP 115 N -6.87 2.88 -0.03 1.25 3.68 -1.23 -4.48 116.67 111.87 3ki9 s ASP 115 Ca -0.29 -0.75 0.05 0.00 2.13 0.00 0.00 52.55 53.70 3ki9 s ASP 115 Cb 0.06 -0.76 0.08 0.00 -1.45 0.00 0.00 42.92 40.85 3ki9 s ASP 115 CO 0.60 -0.25 1.04 -0.67 0.13 0.00 0.00 175.17 176.02 3ki9 n ASP 116 N 4.95 0.60 0.01 -0.34 4.64 -1.14 -3.84 116.55 121.43 3ki9 n ASP 116 Ca -0.10 -2.27 -0.16 0.00 -1.38 0.00 0.00 54.79 50.88 3ki9 n ASP 116 Cb 0.47 -0.26 -0.05 0.00 -1.04 0.00 0.00 41.12 40.24 3ki9 n ASP 116 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3ki9 h LYS 117 N 0.03 0.66 0.60 -0.67 1.57 -0.65 -2.42 116.57 115.70 3ki9 h LYS 117 Ca -0.01 -0.58 -0.02 0.00 -1.87 0.00 0.00 60.65 58.18 3ki9 h LYS 117 Cb 1.31 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.74 3ki9 h LYS 117 CO 0.00 1.19 -0.48 0.78 -0.57 0.00 0.00 179.45 180.37 3ki9 h GLY 118 N 0.76 -1.24 0.73 3.86 0.00 -1.27 -3.00 103.07 102.92 3ki9 h GLY 118 Ca -0.06 0.55 0.02 0.00 0.00 0.00 0.00 47.33 47.83 3ki9 h GLY 118 CO 0.16 -0.40 -0.11 -2.55 0.00 0.00 0.00 176.54 173.64 3ki9 h PRO 119 N -1.05 -0.19 -0.64 4.80 0.11 -1.75 -1.66 132.00 131.63 3ki9 h PRO 119 Ca -0.07 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.12 3ki9 h PRO 119 Cb 0.89 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 31.94 3ki9 h PRO 119 CO 0.00 -0.13 -0.52 1.15 -0.21 0.00 0.00 178.00 178.30 3ki9 h THR 120 N -0.20 0.03 0.30 -1.15 2.02 -1.30 0.62 112.91 113.23 3ki9 h THR 120 Ca 0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3ki9 h THR 120 Cb 0.24 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3ki9 h THR 120 CO -0.11 0.00 -0.14 0.40 0.37 0.00 0.00 175.52 176.04 3ki9 h ILE 121 N -0.23 0.71 -0.89 3.11 2.04 -1.57 0.76 117.51 121.44 3ki9 h ILE 121 Ca 0.14 -0.03 0.21 0.00 1.00 0.00 0.00 64.86 66.17 3ki9 h ILE 121 Cb 0.54 0.73 -0.17 0.00 -0.74 0.00 0.00 36.82 37.19 3ki9 h ILE 121 CO -0.73 0.01 -0.09 0.00 0.00 0.00 0.00 178.15 177.34 3ki9 h ALA 122 N 0.28 0.81 -0.23 1.87 0.00 -0.26 1.78 119.26 123.52 3ki9 h ALA 122 Ca -0.04 0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.23 3ki9 h ALA 122 Cb 0.32 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3ki9 h ALA 122 CO 0.07 -0.45 -0.03 0.00 0.00 0.00 0.00 179.25 178.84 3ki9 h ALA 123 N 1.88 0.18 -0.15 0.00 0.00 0.21 -2.86 119.26 118.52 3ki9 h ALA 123 Ca 0.48 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.51 3ki9 h ALA 123 Cb 0.85 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3ki9 h ALA 123 CO -0.86 -0.45 -0.22 -0.92 0.00 0.00 0.00 179.25 176.80 3ki9 h TYR 124 N 0.04 -0.57 0.00 0.00 5.03 0.89 -0.32 116.97 122.04 3ki9 h TYR 124 Ca 0.11 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.45 3ki9 h TYR 124 Cb 0.15 0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.71 3ki9 h TYR 124 CO -0.21 -0.30 0.00 1.88 -1.32 0.00 0.00 178.16 178.21 3ki9 h TYR 125 N -0.27 0.00 0.19 -3.82 -1.99 -0.33 -1.28 116.97 109.47 3ki9 h TYR 125 Ca 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 3ki9 h TYR 125 Cb 0.42 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.16 3ki9 h TYR 125 CO -0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 178.16 177.74 3ki9 h ALA 126 N 2.04 -0.26 0.33 3.88 0.00 -0.82 0.31 119.26 124.74 3ki9 h ALA 126 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3ki9 h ALA 126 Cb 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ki9 h ALA 126 CO 0.00 -0.57 -0.20 0.82 0.00 0.00 0.00 179.25 179.29 3ki9 h ILE 127 N -0.40 0.57 -0.57 0.00 2.04 -1.22 -2.38 117.51 115.57 3ki9 h ILE 127 Ca -0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.93 3ki9 h ILE 127 Cb 0.31 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 3ki9 h ILE 127 CO 0.04 0.00 0.14 0.50 0.00 0.00 0.00 178.15 178.84 3ki9 h LYS 128 N -0.51 0.28 -0.10 2.37 3.64 -1.36 -0.83 116.57 120.05 3ki9 h LYS 128 Ca -0.03 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ki9 h LYS 128 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3ki9 h LYS 128 CO 0.04 0.18 -0.01 0.82 -2.27 0.00 0.00 179.45 178.21 3ki9 h ILE 129 N 0.29 0.92 0.16 2.00 2.04 -0.85 0.28 117.51 122.34 3ki9 h ILE 129 Ca 0.29 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.16 3ki9 h ILE 129 Cb 0.40 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3ki9 h ILE 129 CO -0.35 0.01 -0.32 -0.07 0.00 0.00 0.00 178.15 177.41 3ki9 h LEU 130 N 0.03 -0.91 -0.51 1.44 3.38 -0.88 -2.00 115.31 115.86 3ki9 h LEU 130 Ca 0.05 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.22 3ki9 h LEU 130 Cb 0.06 0.34 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3ki9 h LEU 130 CO -0.09 -0.42 -0.11 -0.08 0.09 0.00 0.00 178.44 177.84 3ki9 h GLU 131 N -0.57 0.02 -0.37 1.13 4.57 -0.90 0.53 114.58 118.99 3ki9 h GLU 131 Ca 0.02 -0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.31 3ki9 h GLU 131 Cb 0.58 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3ki9 h GLU 131 CO -0.16 0.01 0.38 -0.44 -1.18 0.00 0.00 179.01 177.62 3ki9 h ASP 132 N 0.02 0.00 -0.02 1.04 5.19 -0.06 0.36 116.42 122.95 3ki9 h ASP 132 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 3ki9 h ASP 132 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3ki9 h ASP 132 CO -0.51 0.00 0.00 0.23 -3.12 0.00 0.00 179.24 175.84 3ki9 n MET 133 N -3.79 1.21 -3.86 3.56 2.81 0.18 -4.92 117.12 112.31 3ki9 n MET 133 Ca 0.06 -0.31 -0.25 0.00 -1.81 0.00 0.00 57.70 55.39 3ki9 n MET 133 Cb 0.55 -1.45 -0.00 0.00 -0.71 0.00 0.00 33.22 31.61 3ki9 n MET 133 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3ki9 n ASN 134 N -0.58 -1.09 -4.82 7.83 3.02 0.13 -4.95 115.26 114.80 3ki9 n ASN 134 Ca 0.20 -0.97 -0.30 0.00 -0.03 0.00 0.00 54.58 53.48 3ki9 n ASN 134 Cb 0.18 -3.31 0.06 0.00 -0.61 0.00 0.00 39.78 36.10 3ki9 n ASN 134 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ki9 s VAL 135 N -3.84 3.65 -1.06 2.41 -7.23 -1.23 -4.98 120.40 108.12 3ki9 s VAL 135 Ca 0.06 0.54 -0.14 0.00 -1.81 0.00 0.00 61.98 60.62 3ki9 s VAL 135 Cb -0.02 -3.32 0.18 0.00 0.56 0.00 0.00 36.38 33.78 3ki9 s VAL 135 CO 0.87 -0.70 1.21 -0.62 -0.31 0.00 0.00 175.10 175.55 3ki9 s ASP 136 N -3.91 6.95 0.20 4.85 -1.08 -1.26 -5.00 116.67 117.42 3ki9 s ASP 136 Ca 0.59 -2.78 -0.32 0.00 -0.52 0.00 0.00 52.55 49.52 3ki9 s ASP 136 Cb -0.14 -2.35 -0.13 0.00 -1.46 0.00 0.00 42.92 38.84 3ki9 s ASP 136 CO 0.54 -0.74 1.53 0.79 0.52 0.00 0.00 175.17 177.81 3ki9 n TRP 137 N 5.23 2.32 0.36 -5.34 7.02 -1.26 -4.70 117.44 121.06 3ki9 n TRP 137 Ca 0.28 0.31 0.05 0.00 -1.02 0.00 0.00 57.50 57.13 3ki9 n TRP 137 Cb 0.45 -2.53 -0.07 0.00 -2.42 0.00 0.00 31.31 26.74 3ki9 n TRP 137 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3ki9 n LYS 138 N 2.83 2.47 -4.13 -0.99 4.76 0.12 -4.56 118.16 118.66 3ki9 n LYS 138 Ca 0.14 -0.03 -0.16 0.00 -2.87 0.00 0.00 58.31 55.39 3ki9 n LYS 138 Cb 0.31 -1.09 -0.12 0.00 -1.84 0.00 0.00 35.03 32.29 3ki9 n LYS 138 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3ki9 s LYS 139 N -2.26 0.68 0.59 1.97 1.02 -1.05 -4.37 119.74 116.32 3ki9 s LYS 139 Ca 0.02 -0.83 -0.15 0.00 0.02 0.00 0.00 55.97 55.03 3ki9 s LYS 139 Cb 0.08 -0.57 -0.04 0.00 -0.52 0.00 0.00 37.83 36.77 3ki9 s LYS 139 CO 0.45 0.12 1.03 1.03 -0.92 0.00 0.00 175.35 177.07 3ki9 s ARG 140 N -1.59 3.48 -0.12 1.68 0.52 -0.06 -2.87 118.95 119.99 3ki9 s ARG 140 Ca -0.05 1.03 0.01 0.00 -0.52 0.00 0.00 55.73 56.20 3ki9 s ARG 140 Cb -0.10 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.33 3ki9 s ARG 140 CO 0.01 -0.67 -0.14 0.42 0.02 0.00 0.00 175.30 174.94 3ki9 s ILE 141 N -2.69 1.48 -0.44 1.52 1.01 -1.26 -0.84 121.20 119.98 3ki9 s ILE 141 Ca 0.60 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 3ki9 s ILE 141 Cb -0.13 -1.37 0.11 0.00 0.01 0.00 0.00 42.46 41.08 3ki9 s ILE 141 CO 0.40 0.44 0.28 -1.00 0.00 0.00 0.00 174.94 175.06 3ki9 s HIS 142 N 1.22 3.50 -0.47 3.97 3.76 -0.74 -2.25 115.29 124.27 3ki9 s HIS 142 Ca -0.02 -2.11 -0.29 0.00 -0.15 0.00 0.00 55.06 52.50 3ki9 s HIS 142 Cb -0.14 -3.36 0.02 0.00 1.11 0.00 0.00 32.58 30.21 3ki9 s HIS 142 CO -0.05 -0.98 1.31 1.41 -0.85 0.00 0.00 174.74 175.57 3ki9 s MET 143 N 1.26 3.57 -0.23 1.40 1.75 -1.07 -1.40 119.30 124.59 3ki9 s MET 143 Ca 0.07 0.67 -0.15 0.00 -1.25 0.00 0.00 55.69 55.03 3ki9 s MET 143 Cb -0.25 -4.00 -0.04 0.00 2.84 0.00 0.00 34.83 33.38 3ki9 s MET 143 CO -0.02 -1.58 0.37 0.42 -0.65 0.00 0.00 175.02 173.56 3ki9 s ILE 144 N 5.20 5.20 -0.22 10.11 1.01 -0.32 -2.01 121.20 140.16 3ki9 s ILE 144 Ca 0.54 0.62 -0.06 0.00 0.00 0.00 0.00 60.65 61.75 3ki9 s ILE 144 Cb -0.10 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 3ki9 s ILE 144 CO 0.31 0.22 0.02 -0.63 0.00 0.00 0.00 174.94 174.86 3ki9 s ILE 145 N 1.58 4.07 0.26 2.92 1.01 -0.18 0.03 121.20 130.89 3ki9 s ILE 145 Ca 0.17 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3ki9 s ILE 145 Cb -0.15 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3ki9 s ILE 145 CO 0.08 0.40 0.30 -0.83 0.00 0.00 0.00 174.94 174.89 3ki9 s GLY 146 N 1.23 1.35 0.00 6.18 0.00 0.24 -2.43 107.32 113.88 3ki9 s GLY 146 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.41 3ki9 s GLY 146 CO 0.02 -1.36 0.67 -1.30 0.00 0.00 0.00 173.10 171.13 3ki9 n THR 147 N -1.33 0.42 -1.21 0.90 -2.24 -1.15 -0.90 114.28 108.77 3ki9 n THR 147 Ca -0.08 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3ki9 n THR 147 Cb 0.58 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3ki9 n THR 147 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ki9 n ASP 148 N -0.21 0.23 0.22 3.42 2.03 -1.26 -4.34 116.55 116.65 3ki9 n ASP 148 Ca 0.00 -1.43 0.08 0.00 0.52 0.00 0.00 54.79 53.95 3ki9 n ASP 148 Cb 0.16 -0.07 0.53 0.00 -0.72 0.00 0.00 41.12 41.02 3ki9 n ASP 148 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3ki9 h GLU 149 N 0.00 0.00 0.00 -0.67 -0.00 -1.87 -1.56 114.58 110.48 3ki9 h GLU 149 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3ki9 h GLU 149 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 3ki9 h GLU 149 CO 0.00 0.23 0.00 -1.91 -0.00 0.00 0.00 179.01 177.33 3ki9 n GLU 150 N -3.88 0.44 0.06 1.06 4.07 -1.26 -4.62 120.64 116.51 3ki9 n GLU 150 Ca -0.02 0.05 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3ki9 n GLU 150 Cb 0.32 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.20 3ki9 n GLU 150 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3ki9 n SER 151 N -1.22 0.30 -4.06 4.31 7.64 -0.60 -4.93 113.62 115.07 3ki9 n SER 151 Ca 0.13 0.19 -0.07 0.00 1.01 0.00 0.00 58.87 60.12 3ki9 n SER 151 Cb 0.16 0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 3ki9 n SER 151 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3ki9 s ASP 152 N -5.13 0.43 -0.26 6.43 1.01 -1.13 -5.07 116.67 112.96 3ki9 s ASP 152 Ca 0.00 -0.91 0.03 0.00 0.71 0.00 0.00 52.55 52.38 3ki9 s ASP 152 Cb 0.00 0.19 0.40 0.00 1.01 0.00 0.00 42.92 44.52 3ki9 s ASP 152 CO 0.00 -0.56 1.53 0.79 0.21 0.00 0.00 175.17 177.14 3ki9 n TRP 153 N 0.32 1.79 -0.42 4.23 7.02 -1.26 -4.18 117.44 124.93 3ki9 n TRP 153 Ca -0.16 -1.26 0.34 0.00 -1.02 0.00 0.00 57.50 55.41 3ki9 n TRP 153 Cb 0.60 -0.65 0.63 0.00 -2.42 0.00 0.00 31.31 29.47 3ki9 n TRP 153 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3ki9 h LYS 154 N 0.65 0.14 0.50 -0.99 1.57 -1.98 -1.45 116.57 115.02 3ki9 h LYS 154 Ca 0.36 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 3ki9 h LYS 154 Cb 2.08 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.36 3ki9 h LYS 154 CO 0.64 0.09 -0.24 0.00 -0.57 0.00 0.00 179.45 179.37 3ki9 h THR 156 N -0.71 0.80 -0.80 0.00 1.35 -1.62 -2.10 112.91 109.84 3ki9 h THR 156 Ca -0.07 -1.98 0.07 0.00 -0.55 0.00 0.00 66.41 63.88 3ki9 h THR 156 Cb 0.52 2.28 -0.06 0.00 -1.73 0.00 0.00 68.15 69.16 3ki9 h THR 156 CO 0.11 0.43 0.48 0.44 -0.25 0.00 0.00 175.52 176.73 3ki9 h ASP 157 N 0.00 0.73 -0.01 5.36 5.19 -1.41 -1.31 116.42 124.97 3ki9 h ASP 157 Ca -0.00 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 3ki9 h ASP 157 Cb 1.25 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.63 3ki9 h ASP 157 CO 0.06 0.46 -0.15 -0.09 -3.12 0.00 0.00 179.24 176.40 3ki9 h ARG 158 N 0.86 0.12 -0.88 3.56 9.65 -1.44 -3.31 114.38 122.94 3ki9 h ARG 158 Ca 0.36 -0.11 0.22 0.00 -1.10 0.00 0.00 59.98 59.34 3ki9 h ARG 158 Cb 0.20 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.76 3ki9 h ARG 158 CO -0.19 0.84 0.60 -0.92 2.80 0.00 0.00 179.97 183.10 3ki9 h TYR 159 N -0.57 0.38 -0.35 2.20 3.20 -1.12 -1.91 116.97 118.80 3ki9 h TYR 159 Ca -0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ki9 h TYR 159 Cb 0.89 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.04 3ki9 h TYR 159 CO 0.18 0.10 0.00 1.19 -1.64 0.00 0.00 178.16 177.98 3ki9 n PHE 160 N -4.45 0.45 0.14 -3.82 3.72 -0.52 -1.90 117.46 111.09 3ki9 n PHE 160 Ca 0.19 -0.22 -0.23 0.00 -0.05 0.00 0.00 57.45 57.13 3ki9 n PHE 160 Cb 0.76 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 39.15 3ki9 n PHE 160 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3ki9 h LYS 161 N 4.06 0.50 0.00 -1.08 1.57 -1.43 -3.42 116.57 116.78 3ki9 h LYS 161 Ca 0.00 -0.86 -0.10 0.00 -1.87 0.00 0.00 60.65 57.82 3ki9 h LYS 161 Cb 0.90 0.32 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 3ki9 h LYS 161 CO 0.00 1.41 -1.36 0.25 -0.57 0.00 0.00 179.45 179.18 3ki9 n THR 162 N -3.69 0.36 -2.14 -0.16 -2.24 -1.25 -5.06 114.28 100.11 3ki9 n THR 162 Ca -0.16 -0.20 -0.28 0.00 -2.27 0.00 0.00 64.05 61.14 3ki9 n THR 162 Cb 1.10 -0.84 0.05 0.00 -2.10 0.00 0.00 70.33 68.54 3ki9 n THR 162 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ki9 s GLU 163 N -2.13 2.69 0.26 -0.78 0.41 -0.80 -5.02 118.70 113.34 3ki9 s GLU 163 Ca -0.04 0.13 -0.30 0.00 -0.41 0.00 0.00 54.97 54.36 3ki9 s GLU 163 Cb 0.02 -2.14 -0.10 0.00 -1.78 0.00 0.00 34.13 30.13 3ki9 s GLU 163 CO 0.20 -0.99 1.38 -2.00 -0.49 0.00 0.00 175.26 173.36 3ki9 s GLU 164 N -5.22 4.31 -0.27 1.61 2.12 -1.26 -4.79 118.70 115.20 3ki9 s GLU 164 Ca 0.57 2.23 -0.22 0.00 0.36 0.00 0.00 54.97 57.91 3ki9 s GLU 164 Cb -0.11 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 3ki9 s GLU 164 CO 0.48 -0.33 0.72 1.41 -0.54 0.00 0.00 175.26 177.00 3ki9 s MET 165 N -0.69 4.07 0.68 4.30 -2.45 -1.26 -5.02 119.30 118.92 3ki9 s MET 165 Ca 0.56 0.63 -0.17 0.00 -1.25 0.00 0.00 55.69 55.46 3ki9 s MET 165 Cb -0.40 -3.68 0.00 0.00 1.25 0.00 0.00 34.83 32.00 3ki9 s MET 165 CO 0.45 -0.53 1.24 -2.30 1.05 0.00 0.00 175.02 174.94 3ki9 n PRO 166 N 5.94 0.92 0.22 4.11 -0.02 -1.26 -4.91 135.00 140.00 3ki9 n PRO 166 Ca 0.02 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 3ki9 n PRO 166 Cb 0.48 -2.48 0.34 0.00 -0.02 0.00 0.00 33.50 31.82 3ki9 n PRO 166 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ki9 h THR 167 N 0.26 0.00 -1.97 3.45 1.35 -1.51 -3.45 112.91 111.04 3ki9 h THR 167 Ca -0.50 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 64.55 3ki9 h THR 167 Cb 1.34 1.78 -0.21 0.00 -1.73 0.00 0.00 68.15 69.32 3ki9 h THR 167 CO 0.51 0.00 0.15 -0.22 -0.25 0.00 0.00 175.52 175.71 3ki9 s LEU 168 N -5.97 -0.74 -0.01 3.87 2.96 -1.21 -5.01 118.68 112.57 3ki9 s LEU 168 Ca 0.06 1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 55.09 3ki9 s LEU 168 Cb 0.07 2.41 0.08 0.00 0.50 0.00 0.00 46.19 49.26 3ki9 s LEU 168 CO 0.62 -0.24 0.74 -0.83 -1.32 0.00 0.00 176.35 175.31 3ki9 s GLY 169 N 0.47 -0.53 0.12 7.98 0.00 -1.26 -0.53 107.32 113.57 3ki9 s GLY 169 Ca -0.01 1.19 0.02 0.00 0.00 0.00 0.00 44.72 45.93 3ki9 s GLY 169 CO -0.01 0.70 -0.05 -0.11 0.00 0.00 0.00 173.10 173.63 3ki9 s PHE 170 N -2.04 1.01 -0.21 1.90 -0.71 -0.85 -3.04 117.98 114.05 3ki9 s PHE 170 Ca -0.05 -0.94 -0.03 0.00 -1.04 0.00 0.00 56.93 54.87 3ki9 s PHE 170 Cb -0.00 -0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 41.22 3ki9 s PHE 170 CO 0.01 -0.16 -0.07 0.00 -1.34 0.00 0.00 175.22 173.66 3ki9 s ALA 171 N -3.62 2.74 -1.38 1.99 0.00 0.56 -1.62 121.76 120.42 3ki9 s ALA 171 Ca 0.16 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 3ki9 s ALA 171 Cb 0.05 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.65 3ki9 s ALA 171 CO -0.02 -0.38 2.02 -0.35 0.00 0.00 0.00 175.76 177.04 3ki9 n PRO 172 N 4.69 3.10 -1.21 0.00 -0.04 -1.26 -0.63 135.00 139.65 3ki9 n PRO 172 Ca -0.19 -2.98 -0.01 0.00 -0.04 0.00 0.00 63.50 60.28 3ki9 n PRO 172 Cb 0.51 -3.24 0.01 0.00 -0.04 0.00 0.00 33.50 30.73 3ki9 n PRO 172 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ki9 n ASP 173 N 6.05 -0.29 0.00 3.54 2.03 -1.24 -4.52 116.55 122.12 3ki9 n ASP 173 Ca 0.48 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.90 3ki9 n ASP 173 Cb 0.40 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3ki9 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ki9 n ALA 174 N -0.19 0.00 -2.45 -1.67 0.00 -1.25 -4.70 120.51 110.25 3ki9 n ALA 174 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.17 3ki9 n ALA 174 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 3ki9 n ALA 174 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3ki9 s GLU 175 N 2.53 2.51 0.45 0.00 2.56 -1.20 -3.60 118.70 121.95 3ki9 s GLU 175 Ca 0.00 -1.48 0.08 0.00 0.00 0.00 0.00 54.97 53.57 3ki9 s GLU 175 Cb 0.00 -2.30 0.02 0.00 2.00 0.00 0.00 34.13 33.85 3ki9 s GLU 175 CO 0.00 0.03 0.58 -0.06 -0.56 0.00 0.00 175.26 175.25 3ki9 s PHE 176 N -2.41 2.53 -0.07 5.30 2.99 0.10 -1.68 117.98 124.74 3ki9 s PHE 176 Ca 0.41 -0.48 0.18 0.00 0.00 0.00 0.00 56.93 57.04 3ki9 s PHE 176 Cb -0.03 -2.31 -0.27 0.00 0.00 0.00 0.00 43.02 40.40 3ki9 s PHE 176 CO 0.25 -0.51 0.31 -0.35 -0.00 0.00 0.00 175.22 174.92 3ki9 n PRO 177 N -1.87 0.74 -3.90 0.24 -0.04 -1.26 -4.78 135.00 124.13 3ki9 n PRO 177 Ca 0.08 -0.12 -0.10 0.00 -0.04 0.00 0.00 63.50 63.32 3ki9 n PRO 177 Cb 0.60 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 3ki9 n PRO 177 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ki9 s ILE 179 N -1.87 2.17 -2.43 0.00 -1.09 0.67 -2.51 121.20 116.14 3ki9 s ILE 179 Ca -0.11 -2.89 0.28 0.00 -2.23 0.00 0.00 60.65 55.70 3ki9 s ILE 179 Cb -0.05 -2.53 0.59 0.00 -1.58 0.00 0.00 42.46 38.88 3ki9 s ILE 179 CO -0.01 -0.78 1.79 0.00 -1.23 0.00 0.00 174.94 174.71 3ki9 n HIS 180 N 3.49 0.01 -3.71 3.97 1.44 -1.14 -2.50 115.22 116.78 3ki9 n HIS 180 Ca 0.05 -0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.63 3ki9 n HIS 180 Cb 0.35 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.38 3ki9 n HIS 180 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3ki9 s GLY 181 N -1.98 -0.23 -0.06 -1.39 0.00 -1.26 -0.65 107.32 101.75 3ki9 s GLY 181 Ca 0.39 0.36 -0.06 0.00 0.00 0.00 0.00 44.72 45.41 3ki9 s GLY 181 CO 0.34 0.12 0.17 -0.54 0.00 0.00 0.00 173.10 173.18 3ki9 s GLU 182 N -1.89 0.22 1.05 2.90 2.02 -0.32 -2.79 118.70 119.89 3ki9 s GLU 182 Ca -0.09 0.20 -0.12 0.00 0.02 0.00 0.00 54.97 54.97 3ki9 s GLU 182 Cb -0.03 0.10 0.20 0.00 0.10 0.00 0.00 34.13 34.50 3ki9 s GLU 182 CO 0.01 -0.03 0.91 1.63 0.02 0.00 0.00 175.26 177.80 3ki9 n LYS 183 N 2.89 -1.43 -2.53 1.61 5.02 -1.09 -1.33 118.16 121.31 3ki9 n LYS 183 Ca -0.13 -0.37 -0.41 0.00 -2.02 0.00 0.00 58.31 55.38 3ki9 n LYS 183 Cb 0.59 -2.17 -0.04 0.00 -0.02 0.00 0.00 35.03 33.38 3ki9 n LYS 183 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3ki9 s GLY 184 N -2.40 2.90 -0.00 0.72 0.00 0.62 -4.52 107.32 104.64 3ki9 s GLY 184 Ca 0.66 0.81 0.02 0.00 0.00 0.00 0.00 44.72 46.21 3ki9 s GLY 184 CO 0.63 1.60 -0.02 -0.42 0.00 0.00 0.00 173.10 174.89 3ki9 s ILE 185 N -0.43 4.00 0.13 0.90 -1.09 -0.11 -1.71 121.20 122.89 3ki9 s ILE 185 Ca 0.48 -0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 58.07 3ki9 s ILE 185 Cb -0.29 -2.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.85 3ki9 s ILE 185 CO 0.36 0.38 0.45 0.28 -1.23 0.00 0.00 174.94 175.17 3ki9 s THR 186 N -1.06 0.05 -0.15 2.92 -1.32 -0.61 -1.30 115.64 114.17 3ki9 s THR 186 Ca 0.19 -0.44 -0.13 0.00 -1.21 0.00 0.00 61.69 60.10 3ki9 s THR 186 Cb -0.11 -1.12 0.04 0.00 -1.51 0.00 0.00 72.50 69.80 3ki9 s THR 186 CO 0.09 -0.24 0.40 0.42 -2.21 0.00 0.00 174.62 173.08 3ki9 s THR 187 N -3.69 -0.01 0.23 5.08 -4.23 -1.18 -1.92 115.64 109.93 3ki9 s THR 187 Ca 0.02 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.39 3ki9 s THR 187 Cb 0.01 -0.57 0.01 0.00 1.34 0.00 0.00 72.50 73.29 3ki9 s THR 187 CO -0.11 0.01 0.53 0.72 -0.54 0.00 0.00 174.62 175.22 3ki9 s PHE 188 N 0.46 0.09 0.06 3.99 -0.12 -1.04 0.48 117.98 121.89 3ki9 s PHE 188 Ca -0.02 -0.46 0.07 0.00 -0.05 0.00 0.00 56.93 56.47 3ki9 s PHE 188 Cb -0.04 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 3ki9 s PHE 188 CO -0.02 -1.00 -0.17 -0.51 -0.05 0.00 0.00 175.22 173.47 3ki9 s ASP 189 N -2.94 3.88 -0.42 1.98 1.11 -0.22 -1.39 116.67 118.66 3ki9 s ASP 189 Ca 0.15 -0.43 -0.07 0.00 0.18 0.00 0.00 52.55 52.38 3ki9 s ASP 189 Cb -0.02 -0.63 0.10 0.00 1.07 0.00 0.00 42.92 43.44 3ki9 s ASP 189 CO 0.04 0.24 0.25 -0.76 1.18 0.00 0.00 175.17 176.12 3ki9 s LEU 190 N -1.60 5.23 0.07 1.23 1.43 0.00 -0.91 118.68 124.14 3ki9 s LEU 190 Ca 0.16 -1.74 0.01 0.00 -1.03 0.00 0.00 54.13 51.53 3ki9 s LEU 190 Cb -0.11 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3ki9 s LEU 190 CO 0.07 -0.56 0.16 -0.69 0.23 0.00 0.00 176.35 175.56 3ki9 s VAL 191 N 1.32 5.08 0.52 -1.59 1.01 -0.12 -1.86 120.40 124.76 3ki9 s VAL 191 Ca 0.05 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3ki9 s VAL 191 Cb -0.24 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.72 3ki9 s VAL 191 CO -0.01 0.13 0.61 -1.58 0.00 0.00 0.00 175.10 174.25 3ki9 s GLN 192 N -2.48 2.42 0.13 2.72 0.74 -1.03 -0.77 119.66 121.39 3ki9 s GLN 192 Ca 0.33 -1.63 0.08 0.00 0.05 0.00 0.00 55.36 54.18 3ki9 s GLN 192 Cb -0.13 -2.51 -0.04 0.00 1.10 0.00 0.00 33.01 31.43 3ki9 s GLN 192 CO 0.26 -0.60 -0.18 -0.80 -0.55 0.00 0.00 175.29 173.42 3ki9 s ASN 193 N -4.45 2.40 1.14 6.67 0.01 -0.79 -4.82 114.94 115.10 3ki9 s ASN 193 Ca 0.53 -0.77 -0.13 0.00 -0.71 0.00 0.00 52.86 51.78 3ki9 s ASN 193 Cb -0.05 -0.12 0.18 0.00 0.41 0.00 0.00 41.25 41.67 3ki9 s ASN 193 CO 0.33 -0.03 0.69 2.29 -1.51 0.00 0.00 177.10 178.86 3ki9 n LYS 194 N 0.70 -2.19 0.00 -0.60 2.85 -1.26 -4.97 118.16 112.69 3ki9 n LYS 194 Ca -0.17 -1.10 0.00 0.00 -1.05 0.00 0.00 58.31 56.00 3ki9 n LYS 194 Cb 0.56 -0.99 0.00 0.00 -0.65 0.00 0.00 35.03 33.94 3ki9 n LYS 194 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3ki9 n LEU 195 N 0.00 0.00 0.00 -5.58 4.32 -1.26 -5.11 117.00 109.37 3ki9 n LEU 195 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 3ki9 n LEU 195 Cb 0.36 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 3ki9 n LEU 195 CO 0.25 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.42 3ki9 n GLN 199 N 0.00 0.00 -2.65 3.23 3.00 -1.26 -5.09 117.38 114.61 3ki9 n GLN 199 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3ki9 n GLN 199 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.27 3ki9 n GLN 199 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3ki9 n ASP 200 N 0.00 1.77 -3.94 1.08 9.92 -1.26 -5.08 116.55 119.04 3ki9 n ASP 200 Ca 0.00 -2.76 -0.33 0.00 -0.53 0.00 0.00 54.79 51.16 3ki9 n ASP 200 Cb 0.00 -0.52 -0.00 0.00 -0.64 0.00 0.00 41.12 39.96 3ki9 n ASP 200 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 3ki9 n GLU 201 N -0.14 -1.62 -0.50 -1.24 0.00 -1.26 -4.95 120.64 110.93 3ki9 n GLU 201 Ca 0.12 0.30 -0.30 0.00 0.00 0.00 0.00 57.16 57.29 3ki9 n GLU 201 Cb 0.81 -3.81 0.27 0.00 0.00 0.00 0.00 31.44 28.71 3ki9 n GLU 201 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 3ki9 s PRO 202 N -6.69 -2.09 0.59 3.44 0.04 -1.26 -4.84 135.00 124.19 3ki9 s PRO 202 Ca 0.27 0.37 0.34 0.00 0.04 0.00 0.00 61.00 62.01 3ki9 s PRO 202 Cb -0.12 -1.46 1.88 0.00 0.04 0.00 0.00 34.50 34.84 3ki9 s PRO 202 CO 0.91 -4.38 2.23 -0.44 0.04 0.00 0.00 177.00 175.36 3ki9 h ASP 203 N -3.07 0.00 -3.87 6.66 3.32 -1.92 -3.43 116.42 114.10 3ki9 h ASP 203 Ca -0.51 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 3ki9 h ASP 203 Cb 1.34 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.66 3ki9 h ASP 203 CO 0.38 0.03 -0.12 -0.31 -1.72 0.00 0.00 179.24 177.50 3ki9 s TYR 204 N -4.32 -0.58 -0.11 4.55 1.51 -0.85 -2.54 117.35 115.02 3ki9 s TYR 204 Ca -0.04 1.40 0.02 0.00 -1.01 0.00 0.00 57.07 57.44 3ki9 s TYR 204 Cb 0.14 0.21 0.01 0.00 -0.11 0.00 0.00 41.96 42.21 3ki9 s TYR 204 CO 0.52 -0.28 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.52 3ki9 s GLU 205 N 0.35 2.27 -0.12 -0.62 2.12 -0.96 -1.77 118.70 119.98 3ki9 s GLU 205 Ca -0.01 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 3ki9 s GLU 205 Cb -0.04 -1.90 -0.02 0.00 0.26 0.00 0.00 34.13 32.43 3ki9 s GLU 205 CO -0.00 -0.04 1.19 -1.17 -0.54 0.00 0.00 175.26 174.70 3ki9 s LEU 206 N 0.91 4.22 -0.22 2.70 2.96 -1.26 -1.18 118.68 126.80 3ki9 s LEU 206 Ca -0.08 1.70 -0.18 0.00 -0.22 0.00 0.00 54.13 55.35 3ki9 s LEU 206 Cb -0.15 -3.55 -0.18 0.00 0.50 0.00 0.00 46.19 42.81 3ki9 s LEU 206 CO -0.00 -0.65 0.07 -0.38 -1.32 0.00 0.00 176.35 174.07 3ki9 n ILE 207 N 4.97 1.55 -3.95 6.68 5.41 0.80 -4.65 119.36 130.17 3ki9 n ILE 207 Ca 0.12 -0.17 -0.09 0.00 1.00 0.00 0.00 62.75 63.61 3ki9 n ILE 207 Cb 0.46 -1.97 -0.08 0.00 -0.71 0.00 0.00 39.64 37.34 3ki9 n ILE 207 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3ki9 s THR 208 N -2.42 0.13 -0.20 1.39 -4.23 -1.17 -2.35 115.64 106.79 3ki9 s THR 208 Ca -0.31 -1.40 -0.08 0.00 -1.18 0.00 0.00 61.69 58.72 3ki9 s THR 208 Cb 0.08 -1.58 0.09 0.00 1.34 0.00 0.00 72.50 72.43 3ki9 s THR 208 CO 0.58 -0.58 0.44 0.12 -0.54 0.00 0.00 174.62 174.63 3ki9 s PHE 209 N -3.92 -0.81 -0.04 3.99 5.36 0.14 -1.46 117.98 121.23 3ki9 s PHE 209 Ca 0.11 1.56 0.02 0.00 -0.96 0.00 0.00 56.93 57.65 3ki9 s PHE 209 Cb 0.05 0.34 0.01 0.00 -0.34 0.00 0.00 43.02 43.08 3ki9 s PHE 209 CO -0.06 -0.48 -0.08 0.15 -1.46 0.00 0.00 175.22 173.29 3ki9 s LYS 210 N 2.44 1.09 -0.30 10.12 3.01 -0.71 -0.41 119.74 134.98 3ki9 s LYS 210 Ca -0.03 -0.24 -0.13 0.00 -1.01 0.00 0.00 55.97 54.56 3ki9 s LYS 210 Cb -0.11 -1.00 0.15 0.00 -1.01 0.00 0.00 37.83 35.86 3ki9 s LYS 210 CO -0.13 0.00 0.85 0.45 0.51 0.00 0.00 175.35 177.03 3ki9 s SER 211 N 0.64 -0.81 0.00 2.83 0.15 -0.39 -1.12 113.70 115.00 3ki9 s SER 211 Ca -0.10 1.12 0.00 0.00 0.70 0.00 0.00 55.95 57.67 3ki9 s SER 211 Cb -0.13 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 3ki9 s SER 211 CO 0.01 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3ki9 n GLY 212 N 5.09 1.75 0.00 9.45 0.00 -1.24 -1.04 105.19 119.19 3ki9 n GLY 212 Ca -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3ki9 n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ki9 n GLU 213 N 1.77 2.52 -5.14 1.61 1.02 -1.05 -4.38 120.64 116.99 3ki9 n GLU 213 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3ki9 n GLU 213 Cb 0.00 -0.86 -0.16 0.00 -0.02 0.00 0.00 31.44 30.40 3ki9 n GLU 213 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ki9 s ARG 214 N -1.71 2.09 0.37 3.49 1.81 -1.25 -4.93 118.95 118.82 3ki9 s ARG 214 Ca 0.00 -0.82 0.08 0.00 -1.72 0.00 0.00 55.73 53.27 3ki9 s ARG 214 Cb 0.00 -1.89 0.81 0.00 -0.45 0.00 0.00 34.95 33.42 3ki9 s ARG 214 CO 0.00 0.42 1.94 1.88 -0.68 0.00 0.00 175.30 178.85 3ki9 h TYR 215 N 5.85 0.72 -0.41 -0.53 0.05 -1.91 -2.68 116.97 118.06 3ki9 h TYR 215 Ca -0.36 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.33 3ki9 h TYR 215 Cb 1.15 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 38.60 3ki9 h TYR 215 CO 0.41 0.34 0.13 0.27 -1.05 0.00 0.00 178.16 178.27 3ki9 n ASN 216 N -4.50 3.59 -3.92 3.88 6.94 -1.26 -4.30 115.26 115.68 3ki9 n ASN 216 Ca 0.12 -2.66 -0.10 0.00 -0.02 0.00 0.00 54.58 51.92 3ki9 n ASN 216 Cb 0.32 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 36.99 3ki9 n ASN 216 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3ki9 s MET 217 N -1.94 0.28 -0.04 -3.83 -1.94 -1.01 -1.92 119.30 108.90 3ki9 s MET 217 Ca 0.31 -0.38 -0.29 0.00 -1.71 0.00 0.00 55.69 53.63 3ki9 s MET 217 Cb 0.25 0.11 -0.03 0.00 2.01 0.00 0.00 34.83 37.17 3ki9 s MET 217 CO 0.08 -0.05 0.94 0.08 -0.01 0.00 0.00 175.02 176.06 3ki9 s VAL 218 N -1.05 4.88 0.24 -6.03 1.01 -0.66 -4.31 120.40 114.48 3ki9 s VAL 218 Ca -0.11 1.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 3ki9 s VAL 218 Cb -0.07 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.94 3ki9 s VAL 218 CO -0.00 0.13 1.44 -2.84 0.00 0.00 0.00 175.10 173.83 3ki9 s PRO 219 N 1.27 4.27 0.00 2.72 0.02 -1.26 -4.08 135.00 137.93 3ki9 s PRO 219 Ca 0.48 2.29 0.09 0.00 0.02 0.00 0.00 61.00 63.88 3ki9 s PRO 219 Cb -0.20 -3.12 0.13 0.00 0.02 0.00 0.00 34.50 31.34 3ki9 s PRO 219 CO 0.23 -0.43 0.94 -0.40 -0.33 0.00 0.00 177.00 177.01 3ki9 n ASP 220 N 2.51 2.11 -3.95 2.53 5.68 -1.26 -0.94 116.55 123.23 3ki9 n ASP 220 Ca 0.07 -1.60 -0.15 0.00 -0.50 0.00 0.00 54.79 52.61 3ki9 n ASP 220 Cb 0.40 -0.07 -0.14 0.00 -1.14 0.00 0.00 41.12 40.17 3ki9 n ASP 220 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3ki9 s HIS 221 N -0.84 0.43 -0.09 2.11 2.46 -1.26 0.35 115.29 118.46 3ki9 s HIS 221 Ca 0.13 -0.09 -0.08 0.00 0.47 0.00 0.00 55.06 55.50 3ki9 s HIS 221 Cb 0.08 -0.28 0.03 0.00 -0.13 0.00 0.00 32.58 32.28 3ki9 s HIS 221 CO 0.12 -0.01 0.24 0.00 -2.47 0.00 0.00 174.74 172.62 3ki9 s ALA 222 N -0.13 -0.58 -0.02 1.58 0.00 -0.50 -3.66 121.76 118.45 3ki9 s ALA 222 Ca 0.02 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.70 3ki9 s ALA 222 Cb -0.02 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.69 3ki9 s ALA 222 CO -0.00 -0.12 -0.02 -2.00 0.00 0.00 0.00 175.76 173.61 3ki9 s GLU 223 N 0.28 0.35 -0.01 0.00 2.12 -0.28 -0.99 118.70 120.17 3ki9 s GLU 223 Ca -0.01 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.33 3ki9 s GLU 223 Cb -0.03 -0.41 -0.02 0.00 0.26 0.00 0.00 34.13 33.93 3ki9 s GLU 223 CO -0.01 -0.02 -0.21 0.00 -0.54 0.00 0.00 175.26 174.49 3ki9 s ALA 224 N 0.42 1.73 -0.30 6.30 0.00 0.50 -1.73 121.76 128.69 3ki9 s ALA 224 Ca -0.04 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3ki9 s ALA 224 Cb -0.07 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.63 3ki9 s ALA 224 CO -0.01 0.42 0.06 1.03 0.00 0.00 0.00 175.76 177.27 3ki9 s ARG 225 N -0.51 2.92 -0.06 0.00 0.52 -0.54 -0.81 118.95 120.48 3ki9 s ARG 225 Ca 0.08 -0.96 0.04 0.00 -0.52 0.00 0.00 55.73 54.37 3ki9 s ARG 225 Cb -0.08 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 3ki9 s ARG 225 CO -0.01 -0.49 -0.18 0.08 0.02 0.00 0.00 175.30 174.72 3ki9 s VAL 226 N 1.44 2.72 -0.46 3.52 1.01 0.32 -0.14 120.40 128.82 3ki9 s VAL 226 Ca 0.01 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3ki9 s VAL 226 Cb -0.18 -2.05 0.06 0.00 0.00 0.00 0.00 36.38 34.22 3ki9 s VAL 226 CO 0.01 0.58 0.37 -0.22 0.00 0.00 0.00 175.10 175.84 3ki9 s LEU 227 N -0.47 5.50 0.33 3.92 2.96 -0.33 -0.58 118.68 130.01 3ki9 s LEU 227 Ca 0.06 -1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 52.52 3ki9 s LEU 227 Cb -0.12 -2.17 -0.10 0.00 0.50 0.00 0.00 46.19 44.31 3ki9 s LEU 227 CO 0.01 -0.60 0.83 0.68 -1.32 0.00 0.00 176.35 175.96 3ki9 s VAL 228 N 1.64 4.47 -0.17 1.68 -7.23 -1.26 -2.25 120.40 117.28 3ki9 s VAL 228 Ca 0.04 1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 61.46 3ki9 s VAL 228 Cb -0.23 -3.76 -0.22 0.00 0.56 0.00 0.00 36.38 32.73 3ki9 s VAL 228 CO 0.07 -0.05 0.23 1.17 -0.31 0.00 0.00 175.10 176.20 3ki9 n LYS 229 N 0.03 0.67 0.00 4.82 4.81 -1.05 -4.99 118.16 122.45 3ki9 n LYS 229 Ca 0.03 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 3ki9 n LYS 229 Cb 0.52 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.88 3ki9 n LYS 229 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3ki9 n GLU 230 N -3.86 0.00 -4.22 1.64 0.28 -1.26 -5.10 120.64 108.13 3ki9 n GLU 230 Ca -0.34 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.31 3ki9 n GLU 230 Cb 0.90 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.64 3ki9 n GLU 230 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3ki9 s ASN 231 N -1.10 4.51 0.00 -1.84 3.04 -1.26 -4.97 114.94 113.32 3ki9 s ASN 231 Ca 0.00 -0.27 0.00 0.00 0.04 0.00 0.00 52.86 52.63 3ki9 s ASN 231 Cb 0.00 -1.75 0.00 0.00 -1.54 0.00 0.00 41.25 37.96 3ki9 s ASN 231 CO 0.00 0.08 0.06 1.15 -3.04 0.00 0.00 177.10 175.34 3ki9 n MET 232 N 4.14 5.11 0.00 0.43 0.00 -1.26 -4.50 117.12 121.05 3ki9 n MET 232 Ca -0.18 -0.06 0.20 0.00 0.00 0.00 0.00 57.70 57.67 3ki9 n MET 232 Cb 0.52 -0.49 0.70 0.00 0.00 0.00 0.00 33.22 33.94 3ki9 n MET 232 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 3ki9 h THR 233 N 0.02 0.70 0.13 3.17 1.35 -2.00 -0.59 112.91 115.69 3ki9 h THR 233 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3ki9 h THR 233 Cb 0.01 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 3ki9 h THR 233 CO 0.00 0.00 -0.06 0.44 -0.25 0.00 0.00 175.52 175.65 3ki9 h ASP 234 N 0.00 -0.15 -0.87 5.36 3.32 -2.00 -1.83 116.42 120.25 3ki9 h ASP 234 Ca 0.25 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.28 3ki9 h ASP 234 Cb 1.03 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.55 3ki9 h ASP 234 CO -0.00 0.00 0.53 0.58 -1.72 0.00 0.00 179.24 178.64 3ki9 h VAL 235 N -0.29 1.01 0.89 -1.35 2.07 -1.41 0.28 116.25 117.45 3ki9 h VAL 235 Ca -0.02 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3ki9 h VAL 235 Cb 0.23 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3ki9 h VAL 235 CO 0.03 0.17 -0.43 0.40 0.02 0.00 0.00 177.57 177.77 3ki9 h ILE 236 N 0.95 0.03 -0.82 4.57 2.04 -1.27 0.24 117.51 123.25 3ki9 h ILE 236 Ca 0.39 -0.11 0.15 0.00 1.00 0.00 0.00 64.86 66.29 3ki9 h ILE 236 Cb 0.23 0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 36.25 3ki9 h ILE 236 CO -0.19 0.00 0.39 1.56 0.00 0.00 0.00 178.15 179.91 3ki9 h GLN 237 N -1.30 0.54 0.26 2.37 4.20 -1.02 -0.30 115.11 119.88 3ki9 h GLN 237 Ca -0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3ki9 h GLN 237 Cb 0.92 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3ki9 h GLN 237 CO 0.20 0.36 -0.13 -0.44 -0.67 0.00 0.00 178.83 178.16 3ki9 h ASP 238 N 0.56 -0.30 -0.92 1.46 3.32 -0.29 -1.51 116.42 118.74 3ki9 h ASP 238 Ca 0.45 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.53 3ki9 h ASP 238 Cb 0.65 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 40.21 3ki9 h ASP 238 CO -0.38 -0.15 0.60 0.15 -1.72 0.00 0.00 179.24 177.75 3ki9 h PHE 239 N -0.43 1.06 -0.13 4.55 3.57 0.30 0.14 116.94 125.99 3ki9 h PHE 239 Ca -0.04 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 3ki9 h PHE 239 Cb 0.32 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3ki9 h PHE 239 CO -0.04 0.53 -0.43 1.49 -2.23 0.00 0.00 178.31 177.64 3ki9 h GLU 240 N 1.02 0.31 -0.32 1.11 4.81 -0.90 -1.26 114.58 119.36 3ki9 h GLU 240 Ca 0.41 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3ki9 h GLU 240 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3ki9 h GLU 240 CO -0.16 0.69 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.73 3ki9 h TYR 241 N 0.26 0.77 -0.54 0.92 3.20 -0.22 -2.60 116.97 118.76 3ki9 h TYR 241 Ca 0.02 -0.19 0.07 0.00 3.14 0.00 0.00 58.73 61.77 3ki9 h TYR 241 Cb 0.86 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 3ki9 h TYR 241 CO 0.02 0.89 0.22 0.35 -1.64 0.00 0.00 178.16 178.00 3ki9 h PHE 242 N 0.43 0.39 0.23 -3.82 3.57 -0.50 -0.13 116.94 117.13 3ki9 h PHE 242 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3ki9 h PHE 242 Cb 0.69 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3ki9 h PHE 242 CO 0.06 0.14 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.00 3ki9 h LEU 243 N 0.42 -0.57 -0.01 0.59 3.38 -1.21 -2.22 115.31 115.68 3ki9 h LEU 243 Ca 0.26 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.31 3ki9 h LEU 243 Cb 0.26 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3ki9 h LEU 243 CO -0.24 -0.32 -0.26 -0.33 0.09 0.00 0.00 178.44 177.38 3ki9 h GLU 244 N -0.47 -0.38 -0.89 1.13 5.08 -1.02 -0.62 114.58 117.40 3ki9 h GLU 244 Ca -0.01 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 3ki9 h GLU 244 Cb 0.43 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 3ki9 h GLU 244 CO -0.04 -0.26 0.50 1.96 -1.00 0.00 0.00 179.01 180.18 3ki9 h GLN 245 N -0.40 0.73 -0.17 2.33 1.08 -0.96 -1.43 115.11 116.29 3ki9 h GLN 245 Ca 0.07 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3ki9 h GLN 245 Cb 0.49 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3ki9 h GLN 245 CO -0.24 0.48 0.00 0.09 -0.95 0.00 0.00 178.83 178.21 3ki9 n ASN 246 N -4.78 1.88 -3.52 1.46 3.02 -0.84 -4.95 115.26 107.52 3ki9 n ASN 246 Ca 0.17 -1.72 -0.20 0.00 -0.03 0.00 0.00 54.58 52.80 3ki9 n ASN 246 Cb 0.40 -0.11 0.08 0.00 -0.61 0.00 0.00 39.78 39.54 3ki9 n ASN 246 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3ki9 n HIS 247 N 0.46 -2.37 -4.18 3.10 8.25 -0.33 -5.00 115.22 115.15 3ki9 n HIS 247 Ca 0.17 0.95 -0.22 0.00 -0.26 0.00 0.00 57.72 58.36 3ki9 n HIS 247 Cb 0.37 -4.97 -0.06 0.00 1.12 0.00 0.00 29.99 26.45 3ki9 n HIS 247 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ki9 s LEU 248 N -6.70 3.51 0.14 2.41 1.02 -0.70 -5.05 118.68 113.31 3ki9 s LEU 248 Ca 0.20 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.93 3ki9 s LEU 248 Cb -0.09 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 3ki9 s LEU 248 CO 0.74 -0.05 0.15 -1.10 0.02 0.00 0.00 176.35 176.11 3ki9 s GLN 249 N -3.78 3.01 0.00 1.70 -1.52 -1.26 -4.65 119.66 113.18 3ki9 s GLN 249 Ca 0.33 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.98 3ki9 s GLN 249 Cb -0.07 -2.74 0.00 0.00 -0.22 0.00 0.00 33.01 29.98 3ki9 s GLN 249 CO 0.23 0.52 0.00 0.41 -0.25 0.00 0.00 175.29 176.19 3ki9 n GLY 250 N -0.16 -1.38 3.97 3.09 0.00 -1.26 -0.04 105.19 109.41 3ki9 n GLY 250 Ca -0.08 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.85 3ki9 n GLY 250 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ki9 s ASP 251 N -3.88 0.00 0.01 1.61 1.47 -0.67 -4.99 116.67 110.22 3ki9 s ASP 251 Ca 0.00 -0.21 0.01 0.00 1.18 0.00 0.00 52.55 53.53 3ki9 s ASP 251 Cb 0.00 0.15 -0.01 0.00 -0.34 0.00 0.00 42.92 42.73 3ki9 s ASP 251 CO 0.00 -0.31 -0.03 -0.94 0.68 0.00 0.00 175.17 174.58 3ki9 s SER 252 N -3.76 0.27 -0.02 2.11 1.04 -1.26 -1.48 113.70 110.61 3ki9 s SER 252 Ca 0.28 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3ki9 s SER 252 Cb -0.00 -0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3ki9 s SER 252 CO -0.01 -0.04 0.02 0.42 0.98 0.00 0.00 173.24 174.61 3ki9 s THR 253 N -0.37 -0.03 0.04 2.02 -4.23 -0.98 -4.98 115.64 107.12 3ki9 s THR 253 Ca -0.03 0.17 -0.24 0.00 -1.18 0.00 0.00 61.69 60.42 3ki9 s THR 253 Cb -0.03 -0.09 -0.06 0.00 1.34 0.00 0.00 72.50 73.66 3ki9 s THR 253 CO -0.00 0.08 0.71 0.54 -0.54 0.00 0.00 174.62 175.41 3ki9 s VAL 254 N 0.91 4.75 0.05 2.29 0.11 -1.26 -0.09 120.40 127.16 3ki9 s VAL 254 Ca -0.08 1.51 -0.01 0.00 -2.93 0.00 0.00 61.98 60.47 3ki9 s VAL 254 Cb -0.11 -4.06 -0.00 0.00 -1.53 0.00 0.00 36.38 30.68 3ki9 s VAL 254 CO -0.02 0.40 -0.03 0.47 -3.33 0.00 0.00 175.10 172.59 3ki9 n ASP 255 N 2.63 0.91 -1.70 3.54 10.43 0.30 -4.84 116.55 127.82 3ki9 n ASP 255 Ca -0.04 0.12 -0.12 0.00 2.57 0.00 0.00 54.79 57.32 3ki9 n ASP 255 Cb 0.50 -0.30 0.08 0.00 1.84 0.00 0.00 41.12 43.24 3ki9 n ASP 255 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3ki9 n SER 256 N -3.33 3.45 0.00 -2.24 7.64 -1.26 -4.77 113.62 113.11 3ki9 n SER 256 Ca -0.01 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.37 3ki9 n SER 256 Cb 0.04 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3ki9 n SER 256 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ki9 n GLY 257 N -0.74 0.68 3.26 0.23 0.00 -1.26 -5.07 105.19 102.28 3ki9 n GLY 257 Ca 0.31 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3ki9 n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ki9 s ILE 258 N -2.00 1.78 -0.33 -0.61 -1.09 -1.26 -4.61 121.20 113.08 3ki9 s ILE 258 Ca 0.00 -1.01 -0.18 0.00 -2.23 0.00 0.00 60.65 57.23 3ki9 s ILE 258 Cb 0.00 -1.49 -0.01 0.00 -1.58 0.00 0.00 42.46 39.38 3ki9 s ILE 258 CO 0.00 0.47 0.52 -0.22 -1.23 0.00 0.00 174.94 174.48 3ki9 s LEU 259 N -0.63 4.28 -0.43 2.97 2.96 0.25 -0.54 118.68 127.54 3ki9 s LEU 259 Ca 0.09 0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.96 3ki9 s LEU 259 Cb -0.09 -2.61 0.05 0.00 0.50 0.00 0.00 46.19 44.05 3ki9 s LEU 259 CO -0.00 -0.45 0.31 -0.69 -1.32 0.00 0.00 176.35 174.20 3ki9 s VAL 260 N 2.39 4.92 -0.21 1.68 1.01 0.87 -0.52 120.40 130.55 3ki9 s VAL 260 Ca 0.19 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3ki9 s VAL 260 Cb -0.15 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 3ki9 s VAL 260 CO 0.13 -0.43 0.16 -0.76 0.00 0.00 0.00 175.10 174.20 3ki9 s LEU 261 N 1.59 4.19 -0.04 3.92 1.43 0.01 -2.32 118.68 127.46 3ki9 s LEU 261 Ca 0.04 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 3ki9 s LEU 261 Cb -0.22 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 3ki9 s LEU 261 CO 0.07 0.13 -0.14 -0.89 0.23 0.00 0.00 176.35 175.75 3ki9 s THR 262 N 0.58 1.20 -0.07 5.49 2.01 -0.55 -0.37 115.64 123.93 3ki9 s THR 262 Ca 0.09 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.51 3ki9 s THR 262 Cb -0.12 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.37 3ki9 s THR 262 CO 0.01 0.35 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.53 3ki9 s VAL 263 N 0.11 0.85 0.19 3.82 1.01 -0.16 -1.67 120.40 124.54 3ki9 s VAL 263 Ca -0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3ki9 s VAL 263 Cb -0.11 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 3ki9 s VAL 263 CO 0.02 0.31 0.50 -1.61 0.00 0.00 0.00 175.10 174.31 3ki9 s GLU 264 N 1.16 3.77 0.00 2.72 0.41 0.94 -1.42 118.70 126.29 3ki9 s GLU 264 Ca -0.06 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 3ki9 s GLU 264 Cb -0.14 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 3ki9 s GLU 264 CO -0.02 0.39 0.00 0.41 -0.49 0.00 0.00 175.26 175.55 3ki9 n GLY 265 N 0.09 5.28 2.79 -1.39 0.00 0.16 -4.08 105.19 108.03 3ki9 n GLY 265 Ca -0.01 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 3ki9 n GLY 265 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ki9 s LYS 266 N 2.08 0.91 0.18 1.61 2.20 -0.34 -4.83 119.74 121.55 3ki9 s LYS 266 Ca 0.00 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 3ki9 s LYS 266 Cb 0.00 -2.23 -0.08 0.00 -1.51 0.00 0.00 37.83 34.02 3ki9 s LYS 266 CO 0.00 -0.67 1.07 0.00 -0.36 0.00 0.00 175.35 175.39 3ki9 s ALA 267 N 1.71 3.35 0.05 3.13 0.00 -1.26 -1.69 121.76 127.05 3ki9 s ALA 267 Ca -0.01 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.58 3ki9 s ALA 267 Cb -0.18 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.64 3ki9 s ALA 267 CO -0.09 -0.14 0.32 0.08 0.00 0.00 0.00 175.76 175.93 3ki9 s VAL 268 N -0.39 0.08 0.33 0.00 1.01 -1.26 -4.29 120.40 115.88 3ki9 s VAL 268 Ca 0.48 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 3ki9 s VAL 268 Cb -0.28 -0.96 -0.13 0.00 0.00 0.00 0.00 36.38 35.01 3ki9 s VAL 268 CO 0.35 -0.36 0.96 1.57 0.00 0.00 0.00 175.10 177.61 3ki9 n HIS 269 N 0.53 1.07 0.32 5.22 -0.00 -1.24 -1.65 115.22 119.46 3ki9 n HIS 269 Ca -0.18 0.67 0.16 0.00 0.46 0.00 0.00 57.72 58.82 3ki9 n HIS 269 Cb 0.60 -2.22 0.65 0.00 -0.12 0.00 0.00 29.99 28.89 3ki9 n HIS 269 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3ki9 h GLY 270 N 1.77 0.00 2.00 1.57 0.00 -1.70 -2.62 103.07 104.10 3ki9 h GLY 270 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3ki9 h GLY 270 CO 0.59 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.13 3ki9 h MET 271 N 0.00 0.00 -1.58 4.80 -0.00 -1.85 -3.36 114.93 112.94 3ki9 h MET 271 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.56 3ki9 h MET 271 Cb 0.45 0.00 -0.27 0.00 -0.00 0.00 0.00 31.60 31.78 3ki9 h MET 271 CO 0.00 0.00 -0.50 0.34 -0.00 0.00 0.00 176.91 176.75 3ki9 s ASP 272 N -4.28 -0.03 0.17 -0.10 2.15 -0.98 -4.92 116.67 108.67 3ki9 s ASP 272 Ca -0.01 -0.19 0.23 0.00 0.43 0.00 0.00 52.55 53.01 3ki9 s ASP 272 Cb 0.08 1.30 0.09 0.00 -0.30 0.00 0.00 42.92 44.09 3ki9 s ASP 272 CO 0.28 -0.34 1.11 -0.65 -0.17 0.00 0.00 175.17 175.41 3ki9 h PRO 273 N 8.13 0.00 0.00 4.34 0.11 -1.71 -3.37 132.00 139.50 3ki9 h PRO 273 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ki9 h PRO 273 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ki9 h PRO 273 CO 0.25 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.70 3ki9 h SER 274 N 0.00 0.00 -0.54 -2.05 4.64 -1.93 -0.95 113.55 112.73 3ki9 h SER 274 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ki9 h SER 274 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3ki9 h SER 274 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 3ki9 n ILE 275 N -2.46 2.09 -4.58 0.95 -5.35 -1.26 -4.94 119.36 103.81 3ki9 n ILE 275 Ca -0.00 -1.36 -0.28 0.00 -0.27 0.00 0.00 62.75 60.85 3ki9 n ILE 275 Cb 0.15 -0.01 -0.08 0.00 -1.74 0.00 0.00 39.64 37.96 3ki9 n ILE 275 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ki9 s GLY 276 N -1.07 2.77 -0.31 3.28 0.00 -0.36 -4.96 107.32 106.67 3ki9 s GLY 276 Ca 0.48 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 44.25 3ki9 s GLY 276 CO 0.19 -1.91 0.07 0.14 0.00 0.00 0.00 173.10 171.59 3ki9 s VAL 277 N -3.12 1.37 -0.41 1.40 1.01 -0.68 -4.91 120.40 115.05 3ki9 s VAL 277 Ca 0.18 -1.67 -0.27 0.00 0.00 0.00 0.00 61.98 60.22 3ki9 s VAL 277 Cb 0.02 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3ki9 s VAL 277 CO 0.12 -0.60 2.07 0.21 0.00 0.00 0.00 175.10 176.90 3ki9 s ASN 278 N 1.38 5.27 0.20 3.32 3.84 -1.26 -1.20 114.94 126.48 3ki9 s ASN 278 Ca 0.09 1.16 -0.11 0.00 0.21 0.00 0.00 52.86 54.21 3ki9 s ASN 278 Cb -0.18 -2.52 0.14 0.00 -0.55 0.00 0.00 41.25 38.15 3ki9 s ASN 278 CO -0.18 -2.23 1.86 0.00 -2.79 0.00 0.00 177.10 173.77 3ki9 h ALA 279 N 15.61 0.92 -0.43 1.71 0.00 -1.35 -2.85 119.26 132.87 3ki9 h ALA 279 Ca -0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3ki9 h ALA 279 Cb 1.21 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3ki9 h ALA 279 CO 1.09 0.36 0.23 0.78 0.00 0.00 0.00 179.25 181.71 3ki9 h GLY 280 N 0.98 0.65 1.36 0.00 0.00 -1.78 -2.60 103.07 101.68 3ki9 h GLY 280 Ca 0.26 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 3ki9 h GLY 280 CO -0.05 0.29 -0.02 1.41 0.00 0.00 0.00 176.54 178.16 3ki9 h LEU 281 N 0.56 0.74 -0.03 3.11 3.38 -1.92 -2.47 115.31 118.68 3ki9 h LEU 281 Ca 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ki9 h LEU 281 Cb 0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ki9 h LEU 281 CO -0.02 0.83 -0.02 1.88 0.09 0.00 0.00 178.44 181.20 3ki9 h TYR 282 N 0.72 0.07 -0.89 1.13 0.05 -1.33 -0.28 116.97 116.44 3ki9 h TYR 282 Ca 0.14 -0.02 0.21 0.00 0.05 0.00 0.00 58.73 59.11 3ki9 h TYR 282 Cb 0.47 -0.02 -0.12 0.00 1.01 0.00 0.00 36.73 38.08 3ki9 h TYR 282 CO 0.02 0.47 0.41 1.25 -1.05 0.00 0.00 178.16 179.26 3ki9 h LEU 283 N -0.34 0.38 -0.51 3.88 5.85 -1.41 0.13 115.31 123.28 3ki9 h LEU 283 Ca 0.01 0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 3ki9 h LEU 283 Cb 0.45 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ki9 h LEU 283 CO 0.00 0.04 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.62 3ki9 h LEU 284 N 0.44 0.75 -0.87 2.25 3.38 -1.20 -0.41 115.31 119.64 3ki9 h LEU 284 Ca 0.55 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3ki9 h LEU 284 Cb 0.99 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 3ki9 h LEU 284 CO -0.50 1.09 0.54 0.50 0.09 0.00 0.00 178.44 180.16 3ki9 h LYS 285 N 0.55 0.94 -0.31 1.13 1.63 0.58 -2.10 116.57 118.99 3ki9 h LYS 285 Ca 0.03 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3ki9 h LYS 285 Cb 1.01 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 3ki9 h LYS 285 CO 0.10 0.62 0.04 0.35 -3.45 0.00 0.00 179.45 177.11 3ki9 h PHE 286 N 0.97 0.55 0.00 1.91 3.04 -0.18 -2.97 116.94 120.26 3ki9 h PHE 286 Ca 0.39 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.25 3ki9 h PHE 286 Cb 0.20 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.56 3ki9 h PHE 286 CO -0.03 0.61 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.75 3ki9 h LEU 287 N 0.33 0.00 -2.46 0.59 3.38 -0.61 -1.80 115.31 114.74 3ki9 h LEU 287 Ca 0.09 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ki9 h LEU 287 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ki9 h LEU 287 CO 0.01 0.05 0.12 0.00 0.09 0.00 0.00 178.44 178.70 3ki9 h ALA 288 N 1.95 1.46 -0.00 1.53 0.00 -1.22 -0.79 119.26 122.19 3ki9 h ALA 288 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ki9 h ALA 288 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ki9 h ALA 288 CO 0.01 -0.15 -0.08 -1.13 0.00 0.00 0.00 179.25 177.90 3ki9 n SER 289 N -3.50 0.26 -4.94 0.00 3.41 -0.68 -4.86 113.62 103.31 3ki9 n SER 289 Ca -0.01 -0.34 -0.24 0.00 -0.26 0.00 0.00 58.87 58.02 3ki9 n SER 289 Cb 0.21 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 3ki9 n SER 289 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ki9 s LEU 290 N -2.56 4.03 -0.45 1.04 1.43 -0.30 -5.06 118.68 116.81 3ki9 s LEU 290 Ca 0.27 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.54 3ki9 s LEU 290 Cb 0.20 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 43.17 3ki9 s LEU 290 CO 0.48 -0.28 0.90 0.20 0.23 0.00 0.00 176.35 177.87 3ki9 s ASN 291 N -4.03 6.49 0.34 2.29 0.02 -1.26 -5.04 114.94 113.75 3ki9 s ASN 291 Ca 0.40 0.11 0.09 0.00 -1.02 0.00 0.00 52.86 52.43 3ki9 s ASN 291 Cb -0.10 -2.44 -0.05 0.00 0.02 0.00 0.00 41.25 38.68 3ki9 s ASN 291 CO 0.36 -1.01 0.00 -0.76 0.02 0.00 0.00 177.10 175.71 3ki9 s LEU 292 N 3.64 2.96 0.47 0.60 1.43 -1.26 -2.00 118.68 124.53 3ki9 s LEU 292 Ca 0.36 -1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 52.22 3ki9 s LEU 292 Cb -0.11 -1.32 -0.08 0.00 0.03 0.00 0.00 46.19 44.71 3ki9 s LEU 292 CO 0.25 -0.23 1.14 -0.90 0.23 0.00 0.00 176.35 176.84 3ki9 n ASP 293 N -0.94 1.83 -0.30 2.29 5.75 -0.73 -4.66 116.55 119.80 3ki9 n ASP 293 Ca -0.04 1.01 0.05 0.00 -0.01 0.00 0.00 54.79 55.80 3ki9 n ASP 293 Cb 0.62 -1.45 0.14 0.00 -1.03 0.00 0.00 41.12 39.41 3ki9 n ASP 293 CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3ki9 h ASN 294 N 1.51 -0.68 -0.18 -1.12 2.35 -1.98 0.62 115.58 116.10 3ki9 h ASN 294 Ca -0.47 0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 3ki9 h ASN 294 Cb 1.32 0.49 -0.01 0.00 0.05 0.00 0.00 38.32 40.18 3ki9 h ASN 294 CO 0.57 -0.28 -0.04 0.78 -1.65 0.00 0.00 177.43 176.81 3ki9 h ASN 295 N 0.02 0.35 -0.33 5.81 4.21 -1.97 0.48 115.58 124.15 3ki9 h ASN 295 Ca 0.44 -0.36 0.06 0.00 1.21 0.00 0.00 56.30 57.64 3ki9 h ASN 295 Cb 0.73 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.78 3ki9 h ASN 295 CO -0.85 0.63 0.00 0.00 -1.29 0.00 0.00 177.43 175.92 3ki9 h ALA 296 N 0.73 0.29 -0.62 -0.83 0.00 -1.73 0.27 119.26 117.38 3ki9 h ALA 296 Ca 0.05 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3ki9 h ALA 296 Cb 0.48 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3ki9 h ALA 296 CO 0.02 -0.40 0.28 0.37 0.00 0.00 0.00 179.25 179.52 3ki9 h GLN 297 N 0.10 0.49 -0.56 0.00 4.15 -0.68 0.37 115.11 118.99 3ki9 h GLN 297 Ca 0.16 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 3ki9 h GLN 297 Cb 0.21 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3ki9 h GLN 297 CO -0.26 0.32 0.17 0.00 -1.93 0.00 0.00 178.83 177.13 3ki9 h ALA 298 N 1.39 0.73 0.29 3.38 0.00 -0.22 0.86 119.26 125.70 3ki9 h ALA 298 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ki9 h ALA 298 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ki9 h ALA 298 CO -0.26 0.40 -0.19 0.35 0.00 0.00 0.00 179.25 179.56 3ki9 h PHE 299 N 0.78 -0.48 -0.08 0.00 3.04 0.68 -0.14 116.94 120.73 3ki9 h PHE 299 Ca 0.18 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.14 3ki9 h PHE 299 Cb 0.29 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 3ki9 h PHE 299 CO 0.02 -0.29 -0.01 0.28 -2.02 0.00 0.00 178.31 176.29 3ki9 h VAL 300 N -0.46 0.93 -0.47 1.41 2.07 -0.23 -2.65 116.25 116.85 3ki9 h VAL 300 Ca -0.03 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.58 3ki9 h VAL 300 Cb 0.39 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 3ki9 h VAL 300 CO 0.03 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.63 3ki9 h ALA 301 N 1.08 0.46 -0.16 1.67 0.00 -0.70 -1.72 119.26 119.88 3ki9 h ALA 301 Ca 0.04 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ki9 h ALA 301 Cb 0.05 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 3ki9 h ALA 301 CO -0.07 -0.38 -0.27 0.35 0.00 0.00 0.00 179.25 178.88 3ki9 h PHE 302 N 0.13 -0.74 -0.15 0.00 3.57 -0.74 0.15 116.94 119.17 3ki9 h PHE 302 Ca 0.24 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.81 3ki9 h PHE 302 Cb 0.35 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 3ki9 h PHE 302 CO -0.29 -0.35 -0.46 1.03 -2.23 0.00 0.00 178.31 176.01 3ki9 h SER 303 N -0.33 -1.45 -0.18 0.41 0.87 -1.07 -0.46 113.55 111.34 3ki9 h SER 303 Ca 0.11 0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 3ki9 h SER 303 Cb 0.49 0.58 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 3ki9 h SER 303 CO -0.34 -0.44 0.12 0.78 -0.53 0.00 0.00 176.83 176.41 3ki9 h ASN 304 N -0.51 0.14 0.01 6.23 2.35 -0.67 0.50 115.58 123.62 3ki9 h ASN 304 Ca 0.07 -0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 3ki9 h ASN 304 Cb 0.65 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 39.00 3ki9 h ASN 304 CO -0.42 0.10 -0.75 -0.09 -1.65 0.00 0.00 177.43 174.62 3ki9 h ARG 305 N 0.17 0.50 0.00 0.81 2.43 0.25 -3.40 114.38 115.14 3ki9 h ARG 305 Ca 0.07 -0.54 -0.17 0.00 -0.81 0.00 0.00 59.98 58.53 3ki9 h ARG 305 Cb 0.09 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 3ki9 h ARG 305 CO -0.01 1.18 -1.65 0.66 -1.51 0.00 0.00 179.97 178.64 3ki9 n TYR 306 N -4.10 0.00 -0.07 2.20 4.01 -0.28 -4.87 117.16 114.05 3ki9 n TYR 306 Ca -0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.42 3ki9 n TYR 306 Cb 0.75 -0.45 -0.12 0.00 -0.31 0.00 0.00 39.34 39.20 3ki9 n TYR 306 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ki9 n LEU 307 N -2.70 2.58 -4.72 7.72 7.99 0.16 -4.51 117.00 123.52 3ki9 n LEU 307 Ca -0.19 0.13 -0.42 0.00 -0.01 0.00 0.00 56.01 55.52 3ki9 n LEU 307 Cb 0.74 -0.99 -0.03 0.00 -0.11 0.00 0.00 43.42 43.03 3ki9 n LEU 307 CO 0.14 0.78 1.35 0.12 -1.51 0.00 0.00 177.39 178.26 3ki9 s PHE 308 N -2.51 2.92 -1.31 -1.77 5.36 -0.45 -2.58 117.98 117.64 3ki9 s PHE 308 Ca -0.30 0.40 -0.10 0.00 -0.96 0.00 0.00 56.93 55.98 3ki9 s PHE 308 Cb 0.08 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 3ki9 s PHE 308 CO 0.65 -4.17 0.53 -1.71 -1.46 0.00 0.00 175.22 169.07 3ki9 n ASN 309 N 3.90 -2.10 -3.14 6.13 4.05 -1.26 -4.92 115.26 117.92 3ki9 n ASN 309 Ca 0.15 -1.05 -0.19 0.00 0.45 0.00 0.00 54.58 53.94 3ki9 n ASN 309 Cb 0.36 -2.93 -0.03 0.00 1.23 0.00 0.00 39.78 38.40 3ki9 n ASN 309 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 3ki9 n SER 310 N -2.81 0.21 -0.12 1.20 2.88 -1.06 -4.94 113.62 108.98 3ki9 n SER 310 Ca -0.23 -2.96 -0.02 0.00 -1.33 0.00 0.00 58.87 54.33 3ki9 n SER 310 Cb 0.65 -0.33 0.23 0.00 -0.75 0.00 0.00 64.21 64.00 3ki9 n SER 310 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3ki9 h ASP 311 N 3.39 0.74 -0.88 -3.46 3.32 -1.84 -3.10 116.42 114.59 3ki9 h ASP 311 Ca 0.06 -0.11 -0.54 0.00 0.02 0.00 0.00 57.03 56.47 3ki9 h ASP 311 Cb 0.95 -0.19 -0.28 0.00 0.22 0.00 0.00 39.33 40.03 3ki9 h ASP 311 CO 0.45 0.69 0.49 0.49 -1.72 0.00 0.00 179.24 179.64 3ki9 n PHE 312 N -4.31 2.81 -2.18 4.55 3.72 -1.26 0.11 117.46 120.90 3ki9 n PHE 312 Ca 0.04 -2.35 -0.18 0.00 -0.05 0.00 0.00 57.45 54.92 3ki9 n PHE 312 Cb 0.18 -1.03 -0.03 0.00 -0.94 0.00 0.00 39.48 37.67 3ki9 n PHE 312 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ki9 n GLY 313 N -1.01 0.08 0.12 1.37 0.00 -1.17 -3.88 105.19 100.70 3ki9 n GLY 313 Ca 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 3ki9 n GLY 313 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ki9 h GLU 314 N 0.00 -0.20 0.00 1.61 9.09 -1.88 -1.49 114.58 121.71 3ki9 h GLU 314 Ca -0.41 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.01 3ki9 h GLU 314 Cb 1.28 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 3ki9 h GLU 314 CO 0.51 0.09 0.00 1.63 0.05 0.00 0.00 179.01 181.29 3ki9 n LYS 315 N -5.06 0.31 -0.27 1.06 5.02 -1.26 -1.53 118.16 116.44 3ki9 n LYS 315 Ca -0.09 0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.31 3ki9 n LYS 315 Cb 0.20 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.92 3ki9 n LYS 315 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3ki9 n MET 316 N -1.04 2.91 -2.64 1.97 2.81 -1.04 -4.73 117.12 115.35 3ki9 n MET 316 Ca 0.08 -2.30 -0.20 0.00 -1.81 0.00 0.00 57.70 53.47 3ki9 n MET 316 Cb 0.04 -1.42 0.01 0.00 -0.71 0.00 0.00 33.22 31.15 3ki9 n MET 316 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ki9 n GLY 317 N 0.72 -0.44 0.05 3.03 0.00 -0.58 -4.88 105.19 103.08 3ki9 n GLY 317 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 3ki9 n GLY 317 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ki9 n MET 318 N -3.32 1.97 -1.62 1.61 2.81 -0.59 -5.02 117.12 112.97 3ki9 n MET 318 Ca -0.18 -1.57 -0.43 0.00 -1.81 0.00 0.00 57.70 53.71 3ki9 n MET 318 Cb 0.65 -1.01 -0.03 0.00 -0.71 0.00 0.00 33.22 32.12 3ki9 n MET 318 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3ki9 n LYS 319 N -0.61 2.24 -3.78 0.03 4.81 -1.04 -4.79 118.16 115.01 3ki9 n LYS 319 Ca 0.04 0.69 -0.13 0.00 -0.87 0.00 0.00 58.31 58.04 3ki9 n LYS 319 Cb 0.41 -3.15 -0.09 0.00 0.02 0.00 0.00 35.03 32.21 3ki9 n LYS 319 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3ki9 s PHE 320 N 7.08 -0.18 0.03 5.64 5.36 -1.26 -5.04 117.98 129.61 3ki9 s PHE 320 Ca 0.97 0.33 -0.21 0.00 -0.96 0.00 0.00 56.93 57.06 3ki9 s PHE 320 Cb -0.38 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.43 3ki9 s PHE 320 CO 0.38 -0.33 0.47 -1.58 -1.46 0.00 0.00 175.22 172.69 3ki9 s HIS 321 N -1.05 -0.36 -0.02 10.12 5.65 -1.26 -1.33 115.29 127.05 3ki9 s HIS 321 Ca -0.11 0.41 -0.12 0.00 0.25 0.00 0.00 55.06 55.48 3ki9 s HIS 321 Cb -0.05 0.28 0.02 0.00 -1.18 0.00 0.00 32.58 31.64 3ki9 s HIS 321 CO 0.03 -0.59 0.26 0.99 -0.65 0.00 0.00 174.74 174.78 3ki9 s THR 322 N -2.26 0.06 -0.99 0.89 2.01 -0.94 -4.97 115.64 109.44 3ki9 s THR 322 Ca -0.06 -0.50 0.27 0.00 0.31 0.00 0.00 61.69 61.71 3ki9 s THR 322 Cb -0.01 -0.55 0.14 0.00 0.01 0.00 0.00 72.50 72.09 3ki9 s THR 322 CO -0.01 -0.28 1.70 0.47 -0.69 0.00 0.00 174.62 175.82 3ki9 n ASP 323 N 1.44 0.23 -0.09 3.53 8.00 -1.26 -1.52 116.55 126.88 3ki9 n ASP 323 Ca -0.21 0.18 -0.17 0.00 0.71 0.00 0.00 54.79 55.29 3ki9 n ASP 323 Cb 0.56 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 3ki9 n ASP 323 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ki9 n VAL 324 N -1.52 0.99 0.03 2.53 0.31 -1.26 -4.64 118.33 114.78 3ki9 n VAL 324 Ca 0.06 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3ki9 n VAL 324 Cb 0.34 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 3ki9 n VAL 324 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3ki9 n MET 325 N -3.55 0.90 0.00 5.55 2.81 -1.25 -4.72 117.12 116.85 3ki9 n MET 325 Ca -0.34 -0.42 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 3ki9 n MET 325 Cb 0.78 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 3ki9 n MET 325 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ki9 n GLY 326 N 0.27 -0.94 3.92 3.03 0.00 -0.58 -4.64 105.19 106.26 3ki9 n GLY 326 Ca 0.00 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 3ki9 n GLY 326 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ki9 s ASP 327 N -4.00 6.33 0.04 1.61 1.01 -1.26 -2.21 116.67 118.19 3ki9 s ASP 327 Ca 0.00 0.66 -0.30 0.00 0.71 0.00 0.00 52.55 53.62 3ki9 s ASP 327 Cb 0.00 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 3ki9 s ASP 327 CO 0.00 -0.34 0.97 -0.69 0.21 0.00 0.00 175.17 175.32 3ki9 s VAL 328 N -2.36 4.72 -0.02 -1.27 1.01 -0.44 -4.48 120.40 117.56 3ki9 s VAL 328 Ca 0.43 2.06 0.06 0.00 0.00 0.00 0.00 61.98 64.53 3ki9 s VAL 328 Cb -0.10 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 3ki9 s VAL 328 CO 0.36 0.22 -0.19 0.42 0.00 0.00 0.00 175.10 175.91 3ki9 s THR 329 N 0.61 1.55 -0.11 3.92 -4.23 -0.34 -4.28 115.64 112.75 3ki9 s THR 329 Ca 0.50 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 60.21 3ki9 s THR 329 Cb -0.22 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.33 3ki9 s THR 329 CO 0.29 0.44 -0.18 0.42 -0.54 0.00 0.00 174.62 175.05 3ki9 s THR 330 N -0.32 1.69 0.01 3.99 -4.23 0.31 -1.00 115.64 116.08 3ki9 s THR 330 Ca 0.04 -0.77 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 3ki9 s THR 330 Cb -0.09 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 3ki9 s THR 330 CO 0.00 0.48 -0.25 0.21 -0.54 0.00 0.00 174.62 174.53 3ki9 s ASN 331 N 0.86 3.23 -0.66 3.99 3.04 0.12 -4.52 114.94 121.01 3ki9 s ASN 331 Ca -0.08 -0.49 -0.05 0.00 0.04 0.00 0.00 52.86 52.28 3ki9 s ASN 331 Cb -0.15 -0.38 0.17 0.00 -1.54 0.00 0.00 41.25 39.34 3ki9 s ASN 331 CO -0.00 0.29 0.50 -0.63 -3.04 0.00 0.00 177.10 174.22 3ki9 s ILE 332 N -0.72 4.02 -0.58 -5.21 1.09 -1.26 -0.16 121.20 118.38 3ki9 s ILE 332 Ca 0.11 -2.92 0.24 0.00 -1.10 0.00 0.00 60.65 56.98 3ki9 s ILE 332 Cb -0.10 -3.59 0.04 0.00 -1.06 0.00 0.00 42.46 37.76 3ki9 s ILE 332 CO 0.01 -0.91 1.28 1.23 -0.10 0.00 0.00 174.94 176.45 3ki9 h GLY 333 N 7.10 0.00 -7.01 6.18 0.00 -1.26 -3.42 103.07 104.66 3ki9 h GLY 333 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3ki9 h GLY 333 CO 0.72 0.00 -0.74 0.14 0.00 0.00 0.00 176.54 176.66 3ki9 s VAL 334 N -3.20 -0.09 -0.05 4.60 1.01 -1.16 -2.53 120.40 118.99 3ki9 s VAL 334 Ca 0.05 0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 3ki9 s VAL 334 Cb 0.13 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.41 3ki9 s VAL 334 CO 0.73 0.15 0.05 -0.63 0.00 0.00 0.00 175.10 175.40 3ki9 s ILE 335 N 1.76 -0.01 0.03 2.22 1.01 -0.21 0.96 121.20 126.97 3ki9 s ILE 335 Ca -0.00 0.36 0.01 0.00 0.00 0.00 0.00 60.65 61.01 3ki9 s ILE 335 Cb -0.12 -0.23 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 3ki9 s ILE 335 CO -0.03 0.20 -0.04 0.42 0.00 0.00 0.00 174.94 175.48 3ki9 s THR 336 N 2.11 0.25 -0.25 2.92 -4.23 -0.97 -1.26 115.64 114.20 3ki9 s THR 336 Ca 0.05 -1.03 -0.23 0.00 -1.18 0.00 0.00 61.69 59.30 3ki9 s THR 336 Cb -0.12 -0.45 0.07 0.00 1.34 0.00 0.00 72.50 73.33 3ki9 s THR 336 CO -0.03 -0.50 0.68 -0.47 -0.54 0.00 0.00 174.62 173.75 3ki9 s TYR 337 N -1.61 -0.75 0.30 3.99 5.04 0.45 -1.02 117.35 123.75 3ki9 s TYR 337 Ca -0.13 1.82 -0.02 0.00 -2.44 0.00 0.00 57.07 56.30 3ki9 s TYR 337 Cb -0.09 0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.47 3ki9 s TYR 337 CO -0.01 -0.36 0.37 0.16 -1.34 0.00 0.00 175.55 174.37 3ki9 s ASP 338 N 0.38 0.72 0.34 4.32 1.47 -1.26 0.24 116.67 122.89 3ki9 s ASP 338 Ca -0.00 -1.42 0.04 0.00 1.18 0.00 0.00 52.55 52.35 3ki9 s ASP 338 Cb -0.05 0.58 0.68 0.00 -0.34 0.00 0.00 42.92 43.78 3ki9 s ASP 338 CO 0.01 -1.14 1.95 0.78 0.68 0.00 0.00 175.17 177.44 3ki9 h ASN 339 N 2.24 0.74 0.00 2.11 2.35 -1.73 -2.91 115.58 118.38 3ki9 h ASN 339 Ca -0.29 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.25 3ki9 h ASN 339 Cb 1.24 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.42 3ki9 h ASN 339 CO 0.41 0.48 -1.20 -0.33 -1.65 0.00 0.00 177.43 175.14 3ki9 h GLU 340 N 0.84 0.00 0.00 0.81 3.07 -1.97 -3.45 114.58 113.88 3ki9 h GLU 340 Ca 0.33 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.10 3ki9 h GLU 340 Cb 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3ki9 h GLU 340 CO -0.11 0.97 -1.39 0.09 -1.40 0.00 0.00 179.01 177.17 3ki9 n ASN 341 N -4.44 3.53 -4.52 1.42 3.02 -1.25 -4.94 115.26 108.08 3ki9 n ASN 341 Ca -0.31 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 53.94 3ki9 n ASN 341 Cb 0.66 0.76 0.21 0.00 -0.61 0.00 0.00 39.78 40.79 3ki9 n ASN 341 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ki9 n ALA 342 N -2.14 -2.22 -3.45 5.41 0.00 -1.10 -4.83 120.51 112.18 3ki9 n ALA 342 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3ki9 n ALA 342 Cb 0.61 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3ki9 n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ki9 n GLY 343 N 0.87 6.11 3.64 0.00 0.00 -1.26 -4.72 105.19 109.84 3ki9 n GLY 343 Ca 0.06 -2.09 -0.06 0.00 0.00 0.00 0.00 46.02 43.93 3ki9 n GLY 343 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ki9 s LEU 344 N 0.00 -0.82 -0.18 0.99 2.96 -0.18 -2.46 118.68 118.98 3ki9 s LEU 344 Ca 0.00 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.25 3ki9 s LEU 344 Cb 0.00 2.23 0.02 0.00 0.50 0.00 0.00 46.19 48.94 3ki9 s LEU 344 CO 0.00 -0.21 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.27 3ki9 s PHE 345 N 1.46 2.79 -0.26 5.38 0.08 -0.77 -2.30 117.98 124.36 3ki9 s PHE 345 Ca -0.09 -1.56 -0.15 0.00 0.12 0.00 0.00 56.93 55.25 3ki9 s PHE 345 Cb -0.05 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3ki9 s PHE 345 CO -0.17 -0.77 0.40 0.20 -0.10 0.00 0.00 175.22 174.77 3ki9 s GLY 346 N 1.29 1.89 -0.10 4.36 0.00 0.27 -0.82 107.32 114.22 3ki9 s GLY 346 Ca 0.05 -0.76 0.04 0.00 0.00 0.00 0.00 44.72 44.05 3ki9 s GLY 346 CO -0.11 1.00 -0.23 -0.42 0.00 0.00 0.00 173.10 173.34 3ki9 s ILE 347 N 2.03 1.98 -0.51 0.90 1.01 -0.49 -1.01 121.20 125.11 3ki9 s ILE 347 Ca 0.16 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 3ki9 s ILE 347 Cb -0.16 -1.72 0.11 0.00 0.01 0.00 0.00 42.46 40.71 3ki9 s ILE 347 CO 0.10 0.54 0.44 0.21 0.00 0.00 0.00 174.94 176.23 3ki9 s ASN 348 N 0.42 6.07 -0.18 3.58 2.47 0.77 -2.49 114.94 125.58 3ki9 s ASN 348 Ca -0.17 -1.70 -0.07 0.00 0.42 0.00 0.00 52.86 51.34 3ki9 s ASN 348 Cb -0.18 -2.16 -0.04 0.00 -1.45 0.00 0.00 41.25 37.43 3ki9 s ASN 348 CO 0.07 -0.77 0.04 -0.22 -3.72 0.00 0.00 177.10 172.50 3ki9 s LEU 349 N 1.56 3.68 0.15 3.21 0.20 -0.81 -0.70 118.68 125.97 3ki9 s LEU 349 Ca 0.04 0.02 0.10 0.00 0.69 0.00 0.00 54.13 54.98 3ki9 s LEU 349 Cb -0.28 -1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 43.52 3ki9 s LEU 349 CO 0.03 0.16 -0.22 -0.13 -0.29 0.00 0.00 176.35 175.90 3ki9 s ARG 350 N 0.42 1.34 0.02 1.98 0.52 -0.17 -1.57 118.95 121.49 3ki9 s ARG 350 Ca 0.02 -1.38 -0.17 0.00 -0.52 0.00 0.00 55.73 53.67 3ki9 s ARG 350 Cb -0.13 -1.62 0.03 0.00 0.52 0.00 0.00 34.95 33.75 3ki9 s ARG 350 CO 0.01 0.36 0.39 1.52 0.02 0.00 0.00 175.30 177.59 3ki9 s TYR 351 N -1.53 -0.25 0.47 -0.53 1.13 -0.69 -1.20 117.35 114.75 3ki9 s TYR 351 Ca 0.15 0.27 -0.14 0.00 -1.41 0.00 0.00 57.07 55.94 3ki9 s TYR 351 Cb -0.08 0.18 -0.07 0.00 -1.10 0.00 0.00 41.96 40.88 3ki9 s TYR 351 CO 0.07 -0.51 0.89 -1.25 -2.51 0.00 0.00 175.55 172.25 3ki9 s PRO 352 N -2.01 3.88 -0.04 -3.49 0.04 -1.26 -0.28 135.00 131.84 3ki9 s PRO 352 Ca -0.08 0.75 -0.36 0.00 0.04 0.00 0.00 61.00 61.35 3ki9 s PRO 352 Cb -0.02 -2.24 -0.14 0.00 0.04 0.00 0.00 34.50 32.14 3ki9 s PRO 352 CO 0.01 -0.17 1.69 -1.91 0.04 0.00 0.00 177.00 176.66 3ki9 n GLU 353 N -1.45 1.81 0.00 4.56 4.07 -1.26 -1.73 120.64 126.64 3ki9 n GLU 353 Ca 0.05 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.81 3ki9 n GLU 353 Cb 0.54 -2.42 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 3ki9 n GLU 353 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ki9 n GLY 354 N 3.82 1.56 3.72 8.31 0.00 -1.26 -4.96 105.19 116.38 3ki9 n GLY 354 Ca 0.21 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3ki9 n GLY 354 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ki9 s PHE 355 N -0.55 3.14 -1.04 1.61 5.36 -0.70 -4.93 117.98 120.87 3ki9 s PHE 355 Ca 0.00 0.82 -0.15 0.00 -0.96 0.00 0.00 56.93 56.64 3ki9 s PHE 355 Cb 0.00 -3.80 0.18 0.00 -0.34 0.00 0.00 43.02 39.06 3ki9 s PHE 355 CO 0.00 -2.86 1.18 -1.21 -1.46 0.00 0.00 175.22 170.87 3ki9 s GLU 356 N 0.93 3.87 0.09 10.12 2.02 -1.26 -4.91 118.70 129.57 3ki9 s GLU 356 Ca 0.66 -2.39 -0.28 0.00 0.02 0.00 0.00 54.97 52.98 3ki9 s GLU 356 Cb -0.40 -4.84 -0.11 0.00 0.10 0.00 0.00 34.13 28.88 3ki9 s GLU 356 CO 0.32 -1.61 1.45 0.35 0.02 0.00 0.00 175.26 175.79 3ki9 h PHE 357 N 7.73 -1.30 -0.18 1.61 3.57 -1.97 0.80 116.94 127.19 3ki9 h PHE 357 Ca 0.21 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.79 3ki9 h PHE 357 Cb 0.95 0.57 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 3ki9 h PHE 357 CO 1.06 -0.47 -0.09 1.05 -2.23 0.00 0.00 178.31 177.63 3ki9 h GLU 358 N -0.54 -0.06 -0.19 1.11 9.09 -1.97 1.56 114.58 123.58 3ki9 h GLU 358 Ca 0.01 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.48 3ki9 h GLU 358 Cb 0.59 0.01 -0.06 0.00 -1.65 0.00 0.00 28.75 27.64 3ki9 h GLU 358 CO -0.31 -0.04 -0.22 0.87 0.05 0.00 0.00 179.01 179.36 3ki9 h LYS 359 N -0.07 -0.24 0.24 1.06 6.56 -1.94 0.67 116.57 122.86 3ki9 h LYS 359 Ca 0.10 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 3ki9 h LYS 359 Cb 0.22 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.93 3ki9 h LYS 359 CO -0.23 -0.16 -0.15 0.00 -2.06 0.00 0.00 179.45 176.85 3ki9 h ALA 360 N 0.78 -0.37 -0.74 3.86 0.00 0.03 -1.74 119.26 121.08 3ki9 h ALA 360 Ca 0.12 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ki9 h ALA 360 Cb 0.43 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3ki9 h ALA 360 CO -0.33 -0.72 0.49 1.98 0.00 0.00 0.00 179.25 180.67 3ki9 h MET 361 N -0.38 0.97 -0.11 0.00 -1.53 0.28 -1.89 114.93 112.26 3ki9 h MET 361 Ca -0.02 -0.06 -0.19 0.00 -3.44 0.00 0.00 59.70 55.99 3ki9 h MET 361 Cb 0.32 -0.22 -0.00 0.00 -0.55 0.00 0.00 31.60 31.15 3ki9 h MET 361 CO 0.02 0.64 -0.71 0.22 0.14 0.00 0.00 176.91 177.23 3ki9 h ASP 362 N 1.00 0.60 0.06 1.39 3.58 0.56 -2.16 116.42 121.44 3ki9 h ASP 362 Ca 0.27 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 3ki9 h ASP 362 Cb -0.11 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.76 3ki9 h ASP 362 CO -0.06 1.13 -0.03 -0.09 -2.88 0.00 0.00 179.24 177.31 3ki9 h ARG 363 N 0.36 -0.07 -0.49 0.28 2.43 -0.83 -2.83 114.38 113.23 3ki9 h ARG 363 Ca -0.03 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3ki9 h ARG 363 Cb 1.29 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 3ki9 h ARG 363 CO 0.13 -0.03 0.33 0.35 -1.51 0.00 0.00 179.97 179.23 3ki9 h PHE 364 N -0.09 0.41 -0.51 2.20 3.57 -1.32 -1.71 116.94 119.49 3ki9 h PHE 364 Ca -0.01 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 3ki9 h PHE 364 Cb 0.07 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3ki9 h PHE 364 CO -0.07 0.22 0.08 0.00 -2.23 0.00 0.00 178.31 176.32 3ki9 h ALA 365 N 1.74 1.19 0.14 2.41 0.00 -1.14 -1.78 119.26 121.83 3ki9 h ALA 365 Ca 0.21 -0.22 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 3ki9 h ALA 365 Cb 0.31 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ki9 h ALA 365 CO -0.05 0.55 -1.28 -0.91 0.00 0.00 0.00 179.25 177.55 3ki9 h ASN 366 N 0.76 0.88 -0.95 0.00 2.35 -1.32 -3.17 115.58 114.13 3ki9 h ASN 366 Ca 0.16 -0.84 0.14 0.00 -0.55 0.00 0.00 56.30 55.22 3ki9 h ASN 366 Cb 0.35 -0.28 -0.08 0.00 0.05 0.00 0.00 38.32 38.36 3ki9 h ASN 366 CO 0.01 1.63 0.60 -0.08 -1.65 0.00 0.00 177.43 177.94 3ki9 h GLU 367 N 0.25 0.78 0.00 0.81 4.81 -1.14 -2.77 114.58 117.33 3ki9 h GLU 367 Ca -0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3ki9 h GLU 367 Cb 1.95 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.16 3ki9 h GLU 367 CO 0.24 0.52 -0.49 0.82 -0.73 0.00 0.00 179.01 179.38 3ki9 h ILE 368 N 0.81 0.00 -0.49 2.32 5.03 -1.37 -3.35 117.51 120.46 3ki9 h ILE 368 Ca 0.49 -0.74 0.10 0.00 -0.12 0.00 0.00 64.86 64.59 3ki9 h ILE 368 Cb 0.68 1.46 -0.10 0.00 -3.03 0.00 0.00 36.82 35.83 3ki9 h ILE 368 CO -0.25 0.00 -0.17 -0.61 -0.68 0.00 0.00 178.15 176.44 3ki9 h GLN 369 N 0.00 -0.05 -0.18 2.37 4.15 -1.46 -2.01 115.11 117.92 3ki9 h GLN 369 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.48 3ki9 h GLN 369 Cb 0.87 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 3ki9 h GLN 369 CO 0.00 -0.04 0.27 -0.56 -1.93 0.00 0.00 178.83 176.57 3ki9 h GLN 370 N -0.06 0.00 -0.26 1.69 3.07 -1.76 0.20 115.11 117.99 3ki9 h GLN 370 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.98 3ki9 h GLN 370 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 3ki9 h GLN 370 CO -0.54 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.04 3ki9 n TYR 371 N -3.53 0.34 -2.82 0.06 4.02 -0.76 -4.94 117.16 109.54 3ki9 n TYR 371 Ca 0.02 -0.17 -0.09 0.00 -0.01 0.00 0.00 57.90 57.65 3ki9 n TYR 371 Cb 0.38 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.73 3ki9 n TYR 371 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ki9 n GLY 372 N 1.24 0.35 3.38 2.72 0.00 0.71 -4.91 105.19 108.67 3ki9 n GLY 372 Ca 0.17 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3ki9 n GLY 372 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ki9 s PHE 373 N -3.03 1.81 0.02 1.61 0.08 -1.21 -1.89 117.98 115.36 3ki9 s PHE 373 Ca 0.20 -0.61 -0.15 0.00 0.12 0.00 0.00 56.93 56.49 3ki9 s PHE 373 Cb -0.09 -0.91 0.02 0.00 -0.57 0.00 0.00 43.02 41.48 3ki9 s PHE 373 CO 0.24 0.34 0.32 -1.83 -0.10 0.00 0.00 175.22 174.20 3ki9 s GLU 374 N -3.67 0.76 0.10 0.44 -1.05 0.05 -4.07 118.70 111.26 3ki9 s GLU 374 Ca 0.25 -0.34 -0.19 0.00 -0.15 0.00 0.00 54.97 54.54 3ki9 s GLU 374 Cb 0.01 0.33 -0.07 0.00 -0.44 0.00 0.00 34.13 33.96 3ki9 s GLU 374 CO 0.09 -0.23 0.60 0.08 0.95 0.00 0.00 175.26 176.75 3ki9 s VAL 375 N -1.97 4.71 -0.35 1.83 1.01 -1.26 -0.95 120.40 123.42 3ki9 s VAL 375 Ca -0.09 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 3ki9 s VAL 375 Cb -0.03 -3.89 0.11 0.00 0.00 0.00 0.00 36.38 32.57 3ki9 s VAL 375 CO 0.00 0.48 0.15 -0.54 0.00 0.00 0.00 175.10 175.20 3ki9 s LYS 376 N -1.31 0.83 0.36 2.72 1.02 -0.09 -4.96 119.74 118.32 3ki9 s LYS 376 Ca 0.32 -1.34 -0.28 0.00 0.02 0.00 0.00 55.97 54.69 3ki9 s LYS 376 Cb -0.19 -1.96 -0.10 0.00 -0.52 0.00 0.00 37.83 35.06 3ki9 s LYS 376 CO 0.20 -1.06 1.30 -0.51 -0.92 0.00 0.00 175.35 174.36 3ki9 s LEU 377 N 1.22 4.34 0.00 3.17 1.43 -1.26 -1.06 118.68 126.52 3ki9 s LEU 377 Ca 0.13 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.90 3ki9 s LEU 377 Cb -0.20 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.26 3ki9 s LEU 377 CO -0.15 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.37 3ki9 n GLY 378 N 0.73 3.94 3.57 -3.19 0.00 0.18 -4.92 105.19 105.50 3ki9 n GLY 378 Ca 0.02 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 3ki9 n GLY 378 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ki9 n LYS 379 N 0.00 1.01 -3.63 1.61 -0.00 -1.26 -4.73 118.16 111.15 3ki9 n LYS 379 Ca 0.00 0.37 -0.28 0.00 -0.00 0.00 0.00 58.31 58.40 3ki9 n LYS 379 Cb 0.00 -1.94 -0.16 0.00 -0.00 0.00 0.00 35.03 32.93 3ki9 n LYS 379 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3ki9 s VAL 380 N -1.43 0.24 -0.26 0.58 1.01 -1.26 -3.07 120.40 116.21 3ki9 s VAL 380 Ca 0.67 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3ki9 s VAL 380 Cb -0.51 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3ki9 s VAL 380 CO 0.54 -0.53 0.02 0.00 0.00 0.00 0.00 175.10 175.13 3ki9 s GLN 381 N 1.96 3.19 0.83 2.72 -2.07 -0.42 -5.01 119.66 120.85 3ki9 s GLN 381 Ca 0.06 -0.77 -0.12 0.00 -1.82 0.00 0.00 55.36 52.71 3ki9 s GLN 381 Cb -0.16 -3.20 0.09 0.00 -1.09 0.00 0.00 33.01 28.65 3ki9 s GLN 381 CO -0.23 -0.34 1.16 -2.14 -1.32 0.00 0.00 175.29 172.42 3ki9 s PRO 382 N 1.48 1.59 0.56 9.60 0.02 -1.26 -0.94 135.00 146.05 3ki9 s PRO 382 Ca 0.03 1.58 -0.19 0.00 0.02 0.00 0.00 61.00 62.44 3ki9 s PRO 382 Cb -0.16 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 3ki9 s PRO 382 CO -0.00 -2.21 0.86 -2.30 -0.33 0.00 0.00 177.00 173.02 3ki9 n PRO 383 N -3.58 0.89 -4.47 5.54 -0.02 -1.26 -4.59 135.00 127.50 3ki9 n PRO 383 Ca 0.12 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 3ki9 n PRO 383 Cb 0.51 -2.03 -0.17 0.00 -0.02 0.00 0.00 33.50 31.80 3ki9 n PRO 383 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ki9 s HIS 384 N -1.52 2.16 -0.05 6.00 2.46 -0.44 -4.90 115.29 119.01 3ki9 s HIS 384 Ca 0.72 -1.05 0.02 0.00 0.47 0.00 0.00 55.06 55.21 3ki9 s HIS 384 Cb -0.45 -1.53 0.01 0.00 -0.13 0.00 0.00 32.58 30.48 3ki9 s HIS 384 CO 0.51 -0.53 -0.09 -0.47 -2.47 0.00 0.00 174.74 171.69 3ki9 s TYR 385 N 0.98 1.11 -0.05 3.88 5.04 -1.26 -1.17 117.35 125.88 3ki9 s TYR 385 Ca -0.06 -0.36 0.02 0.00 -2.44 0.00 0.00 57.07 54.24 3ki9 s TYR 385 Cb -0.15 -0.85 0.01 0.00 0.35 0.00 0.00 41.96 41.33 3ki9 s TYR 385 CO -0.02 -0.20 -0.09 0.08 -1.34 0.00 0.00 175.55 173.97 3ki9 s VAL 386 N 0.61 0.91 -0.19 3.14 1.01 0.17 -4.98 120.40 121.07 3ki9 s VAL 386 Ca -0.11 -0.35 -0.34 0.00 0.00 0.00 0.00 61.98 61.17 3ki9 s VAL 386 Cb -0.14 -0.85 -0.11 0.00 0.00 0.00 0.00 36.38 35.28 3ki9 s VAL 386 CO 0.02 0.30 1.99 -0.67 0.00 0.00 0.00 175.10 176.74 3ki9 n ASP 387 N 3.82 2.99 -0.35 3.32 -0.08 -1.26 -4.70 116.55 120.29 3ki9 n ASP 387 Ca -0.23 0.74 0.36 0.00 -1.51 0.00 0.00 54.79 54.15 3ki9 n ASP 387 Cb 0.52 -1.34 0.60 0.00 2.34 0.00 0.00 41.12 43.23 3ki9 n ASP 387 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3ki9 h LYS 388 N 10.60 0.00 0.00 -0.67 2.10 -1.94 0.25 116.57 126.91 3ki9 h LYS 388 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3ki9 h LYS 388 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3ki9 h LYS 388 CO 0.97 0.00 -1.15 0.09 -2.00 0.00 0.00 179.45 177.36 3ki9 n ASN 389 N -3.54 0.59 -4.42 7.07 3.02 -1.26 -4.22 115.26 112.50 3ki9 n ASN 389 Ca 0.29 -0.28 -0.50 0.00 -0.03 0.00 0.00 54.58 54.06 3ki9 n ASN 389 Cb 1.61 0.98 -0.04 0.00 -0.61 0.00 0.00 39.78 41.71 3ki9 n ASN 389 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ki9 n ASP 390 N -1.95 -1.00 -0.34 6.41 2.03 0.07 -4.56 116.55 117.22 3ki9 n ASP 390 Ca 0.01 1.14 0.13 0.00 0.52 0.00 0.00 54.79 56.59 3ki9 n ASP 390 Cb 0.44 -0.96 0.34 0.00 -0.72 0.00 0.00 41.12 40.22 3ki9 n ASP 390 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ki9 h PRO 391 N 1.33 0.72 0.10 -0.67 0.11 -1.92 -1.39 132.00 130.29 3ki9 h PRO 391 Ca -0.32 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.77 3ki9 h PRO 391 Cb 1.44 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 3ki9 h PRO 391 CO 0.58 0.48 -0.43 0.35 -0.21 0.00 0.00 178.00 178.77 3ki9 h PHE 392 N 0.75 -1.22 -0.11 0.65 -0.00 -1.96 0.94 116.94 115.98 3ki9 h PHE 392 Ca 0.56 0.03 0.02 0.00 -0.00 0.00 0.00 57.97 58.58 3ki9 h PHE 392 Cb 0.90 0.52 -0.02 0.00 -0.00 0.00 0.00 35.95 37.35 3ki9 h PHE 392 CO -0.00 -0.52 -0.02 0.28 -0.00 0.00 0.00 178.31 178.04 3ki9 h VAL 393 N -0.65 0.89 0.00 1.41 2.07 -1.56 -0.50 116.25 117.91 3ki9 h VAL 393 Ca 0.02 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3ki9 h VAL 393 Cb 0.68 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3ki9 h VAL 393 CO -0.26 0.00 -0.02 1.56 0.02 0.00 0.00 177.57 178.87 3ki9 h GLN 394 N 0.00 0.00 -0.29 1.57 4.20 -1.19 0.51 115.11 119.91 3ki9 h GLN 394 Ca 0.05 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 3ki9 h GLN 394 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3ki9 h GLN 394 CO -0.11 0.02 -0.39 -0.22 -0.67 0.00 0.00 178.83 177.46 3ki9 h LYS 395 N 0.00 0.78 -0.03 1.46 3.11 0.78 -1.78 116.57 120.89 3ki9 h LYS 395 Ca -0.00 -0.45 -0.03 0.00 -2.81 0.00 0.00 60.65 57.36 3ki9 h LYS 395 Cb 0.05 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 3ki9 h LYS 395 CO 0.00 1.08 -0.09 -0.07 -2.81 0.00 0.00 179.45 177.56 3ki9 h LEU 396 N 0.54 0.13 -0.69 5.20 3.38 -0.48 -3.25 115.31 120.15 3ki9 h LEU 396 Ca 0.04 -0.61 0.12 0.00 0.09 0.00 0.00 57.88 57.51 3ki9 h LEU 396 Cb 0.98 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 3ki9 h LEU 396 CO 0.09 0.72 0.28 0.58 0.09 0.00 0.00 178.44 180.20 3ki9 h VAL 397 N -0.44 0.73 -0.80 1.22 2.07 -0.96 0.17 116.25 118.23 3ki9 h VAL 397 Ca -0.00 -0.16 0.16 0.00 0.82 0.00 0.00 66.70 67.53 3ki9 h VAL 397 Cb 0.70 0.23 -0.10 0.00 -1.52 0.00 0.00 31.29 30.60 3ki9 h VAL 397 CO 0.02 0.08 0.31 0.74 0.02 0.00 0.00 177.57 178.75 3ki9 h THR 398 N 0.45 0.59 -0.54 2.57 2.02 -1.38 0.22 112.91 116.85 3ki9 h THR 398 Ca 0.36 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.38 3ki9 h THR 398 Cb 0.49 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3ki9 h THR 398 CO -0.35 0.08 0.25 0.00 0.37 0.00 0.00 175.52 175.87 3ki9 h ALA 399 N 1.60 0.70 -0.41 6.16 0.00 -1.01 0.18 119.26 126.47 3ki9 h ALA 399 Ca 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ki9 h ALA 399 Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ki9 h ALA 399 CO -0.45 0.27 0.24 -0.92 0.00 0.00 0.00 179.25 178.39 3ki9 h TYR 400 N 0.73 0.55 -0.24 0.00 3.20 -0.44 -3.11 116.97 117.66 3ki9 h TYR 400 Ca 0.18 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.92 3ki9 h TYR 400 Cb 0.14 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3ki9 h TYR 400 CO -0.00 0.41 -0.39 0.00 -1.64 0.00 0.00 178.16 176.53 3ki9 h ARG 401 N 0.54 0.54 -0.50 1.82 2.47 -0.37 0.19 114.38 119.08 3ki9 h ARG 401 Ca 0.15 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.55 3ki9 h ARG 401 Cb 0.02 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 3ki9 h ARG 401 CO -0.03 0.85 0.13 -0.91 0.56 0.00 0.00 179.97 180.57 3ki9 h ASN 402 N 0.45 0.70 0.00 7.04 -0.26 -0.91 0.80 115.58 123.40 3ki9 h ASN 402 Ca 0.04 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 3ki9 h ASN 402 Cb 0.88 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 3ki9 h ASN 402 CO 0.08 0.69 -1.78 0.00 -1.06 0.00 0.00 177.43 175.35 3ki9 n GLN 403 N -4.29 0.56 -0.10 0.81 6.02 -1.16 -4.55 117.38 114.67 3ki9 n GLN 403 Ca 0.04 -0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 56.73 3ki9 n GLN 403 Cb 0.21 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 3ki9 n GLN 403 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3ki9 n THR 404 N -2.10 1.10 -0.17 5.09 -2.24 0.67 -4.99 114.28 111.64 3ki9 n THR 404 Ca -0.02 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3ki9 n THR 404 Cb 0.51 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3ki9 n THR 404 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ki9 n ASN 405 N -3.15 0.00 -4.65 3.42 3.02 0.28 -4.93 115.26 109.24 3ki9 n ASN 405 Ca -0.35 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 53.75 3ki9 n ASN 405 Cb 0.85 -0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 39.23 3ki9 n ASN 405 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ki9 n ASP 406 N 0.00 3.57 -0.47 6.41 2.03 -1.26 -4.88 116.55 121.94 3ki9 n ASP 406 Ca 0.00 0.81 0.12 0.00 0.52 0.00 0.00 54.79 56.23 3ki9 n ASP 406 Cb 0.00 -1.44 0.46 0.00 -0.72 0.00 0.00 41.12 39.42 3ki9 n ASP 406 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3ki9 n MET 407 N 7.34 1.63 -1.39 -0.67 2.81 -1.26 -4.65 117.12 120.93 3ki9 n MET 407 Ca 0.24 -0.94 -0.40 0.00 -1.81 0.00 0.00 57.70 54.79 3ki9 n MET 407 Cb 0.35 -1.42 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 3ki9 n MET 407 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3ki9 n THR 408 N 0.15 1.37 -3.12 2.03 -1.04 -1.26 -4.94 114.28 107.45 3ki9 n THR 408 Ca 0.17 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.32 3ki9 n THR 408 Cb 0.31 -0.38 -0.06 0.00 -1.82 0.00 0.00 70.33 68.38 3ki9 n THR 408 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3ki9 s GLU 409 N -1.51 4.25 0.07 -2.82 0.41 -1.26 -4.99 118.70 112.86 3ki9 s GLU 409 Ca 0.63 0.85 -0.33 0.00 -0.41 0.00 0.00 54.97 55.71 3ki9 s GLU 409 Cb -0.55 -2.94 -0.12 0.00 -1.78 0.00 0.00 34.13 28.74 3ki9 s GLU 409 CO 0.59 0.43 1.78 -0.35 -0.49 0.00 0.00 175.26 177.23 3ki9 n PRO 410 N 0.88 2.44 -2.57 0.39 -0.04 -1.26 -4.90 135.00 129.93 3ki9 n PRO 410 Ca -0.03 0.89 -0.06 0.00 -0.04 0.00 0.00 63.50 64.25 3ki9 n PRO 410 Cb 0.51 -2.73 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 3ki9 n PRO 410 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 3ki9 n TYR 411 N 5.34 0.13 -3.86 0.54 4.11 -1.04 -4.82 117.16 117.56 3ki9 n TYR 411 Ca 0.19 -0.59 -0.30 0.00 -0.00 0.00 0.00 57.90 57.20 3ki9 n TYR 411 Cb 0.33 -0.03 -0.15 0.00 -0.00 0.00 0.00 39.34 39.49 3ki9 n TYR 411 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3ki9 s THR 412 N -1.68 1.70 0.27 -3.48 -1.32 -1.26 -2.89 115.64 106.97 3ki9 s THR 412 Ca 0.03 -2.20 -0.00 0.00 -1.21 0.00 0.00 61.69 58.30 3ki9 s THR 412 Cb 0.00 -2.24 0.05 0.00 -1.51 0.00 0.00 72.50 68.80 3ki9 s THR 412 CO 0.02 -0.70 0.36 2.30 -2.21 0.00 0.00 174.62 174.39 3ki9 n ILE 413 N 4.17 0.00 -1.72 5.08 -6.64 -1.12 -4.85 119.36 114.29 3ki9 n ILE 413 Ca 0.03 -0.55 -0.12 0.00 -1.77 0.00 0.00 62.75 60.34 3ki9 n ILE 413 Cb 0.39 -1.23 0.12 0.00 -1.44 0.00 0.00 39.64 37.48 3ki9 n ILE 413 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3ki9 n GLY 414 N 2.24 5.65 0.29 3.28 0.00 -1.26 -2.69 105.19 112.70 3ki9 n GLY 414 Ca 0.06 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 3ki9 n GLY 414 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ki9 h GLY 415 N 1.55 -0.69 0.00 -0.02 0.00 -1.92 -3.44 103.07 98.55 3ki9 h GLY 415 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3ki9 h GLY 415 CO 0.52 -0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.42 3ki9 n GLY 416 N -0.22 0.80 0.24 4.60 0.00 -1.26 -4.92 105.19 104.43 3ki9 n GLY 416 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 3ki9 n GLY 416 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ki9 n THR 417 N 0.00 0.00 0.15 2.61 -1.04 -1.26 -4.97 114.28 109.77 3ki9 n THR 417 Ca 0.00 -0.04 0.03 0.00 -2.04 0.00 0.00 64.05 62.00 3ki9 n THR 417 Cb 0.00 -1.30 0.06 0.00 -1.82 0.00 0.00 70.33 67.27 3ki9 n THR 417 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 3ki9 h TYR 418 N -1.42 0.00 -0.97 -1.42 0.05 -1.90 -3.39 116.97 107.91 3ki9 h TYR 418 Ca -0.03 0.00 0.24 0.00 0.05 0.00 0.00 58.73 58.99 3ki9 h TYR 418 Cb 0.08 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 37.64 3ki9 h TYR 418 CO 0.00 0.46 -0.09 0.00 -1.05 0.00 0.00 178.16 177.49 3ki9 h ALA 419 N 1.54 0.94 0.00 3.88 0.00 -1.88 0.54 119.26 124.27 3ki9 h ALA 419 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ki9 h ALA 419 Cb 1.33 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3ki9 h ALA 419 CO 0.06 -0.49 0.00 2.89 0.00 0.00 0.00 179.25 181.71 3ki9 n ARG 420 N -5.54 0.04 0.09 0.00 1.85 -1.26 -0.64 116.66 111.19 3ki9 n ARG 420 Ca 0.20 0.08 -0.05 0.00 -1.00 0.00 0.00 57.85 57.07 3ki9 n ARG 420 Cb 0.64 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.67 3ki9 n ARG 420 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3ki9 h ASN 421 N 0.00 0.26 -2.91 2.89 2.35 -0.24 -3.43 115.58 114.51 3ki9 h ASN 421 Ca 0.00 -0.15 -0.62 0.00 -0.55 0.00 0.00 56.30 54.98 3ki9 h ASN 421 Cb 0.00 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 3ki9 h ASN 421 CO 0.00 0.80 -0.39 -0.76 -1.65 0.00 0.00 177.43 175.43 3ki9 s LEU 422 N -7.93 4.37 0.12 1.61 1.43 0.18 -5.00 118.68 113.47 3ki9 s LEU 422 Ca -0.04 0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 3ki9 s LEU 422 Cb 0.12 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 3ki9 s LEU 422 CO 0.80 0.25 1.64 -0.78 0.23 0.00 0.00 176.35 178.49 3ki9 h ASP 423 N 3.96 -0.70 -0.79 2.29 3.58 -1.83 -0.47 116.42 122.46 3ki9 h ASP 423 Ca -0.50 0.10 -0.32 0.00 0.42 0.00 0.00 57.03 56.73 3ki9 h ASP 423 Cb 1.20 0.29 -0.19 0.00 1.72 0.00 0.00 39.33 42.35 3ki9 h ASP 423 CO 0.66 -0.30 0.41 0.29 -2.88 0.00 0.00 179.24 177.42 3ki9 n LYS 424 N -5.36 2.88 -1.99 0.28 5.02 -1.26 -4.89 118.16 112.84 3ki9 n LYS 424 Ca -0.04 -2.77 -0.41 0.00 -2.02 0.00 0.00 58.31 53.07 3ki9 n LYS 424 Cb 0.27 -2.11 -0.02 0.00 -0.02 0.00 0.00 35.03 33.16 3ki9 n LYS 424 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3ki9 s GLY 425 N -0.96 2.55 0.20 0.72 0.00 -0.19 -4.76 107.32 104.88 3ki9 s GLY 425 Ca 0.51 1.37 0.01 0.00 0.00 0.00 0.00 44.72 46.60 3ki9 s GLY 425 CO 0.11 2.21 0.07 0.14 0.00 0.00 0.00 173.10 175.63 3ki9 s VAL 426 N -0.43 0.43 -0.19 1.40 1.01 -1.17 -4.47 120.40 116.97 3ki9 s VAL 426 Ca 0.56 -1.98 0.01 0.00 0.00 0.00 0.00 61.98 60.57 3ki9 s VAL 426 Cb -0.42 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.61 3ki9 s VAL 426 CO 0.49 -0.21 -0.18 0.00 0.00 0.00 0.00 175.10 175.20 3ki9 s ALA 427 N -3.84 2.37 -0.42 5.51 0.00 -1.04 -0.33 121.76 124.02 3ki9 s ALA 427 Ca 0.32 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 51.05 3ki9 s ALA 427 Cb 0.07 -1.25 0.43 0.00 0.00 0.00 0.00 23.12 22.37 3ki9 s ALA 427 CO 0.09 -0.49 1.07 0.34 0.00 0.00 0.00 175.76 176.77 3ki9 n PHE 428 N 4.59 2.95 0.00 0.00 -0.00 0.19 -0.24 117.46 124.95 3ki9 n PHE 428 Ca -0.20 -3.07 0.00 0.00 -0.00 0.00 0.00 57.45 54.18 3ki9 n PHE 428 Cb 0.49 -0.15 0.00 0.00 -0.00 0.00 0.00 39.48 39.82 3ki9 n PHE 428 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ki9 n GLY 429 N -0.38 0.24 1.59 7.13 0.00 -0.68 -4.78 105.19 108.31 3ki9 n GLY 429 Ca 0.33 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.45 3ki9 n GLY 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ki9 n ALA 430 N -1.00 0.00 -2.24 4.61 0.00 -1.25 -3.21 120.51 117.41 3ki9 n ALA 430 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3ki9 n ALA 430 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3ki9 n ALA 430 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ki9 s MET 431 N 0.00 4.30 -0.14 0.00 -1.94 -1.24 -4.71 119.30 115.57 3ki9 s MET 431 Ca 0.00 0.83 -0.10 0.00 -1.71 0.00 0.00 55.69 54.71 3ki9 s MET 431 Cb 0.00 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.54 3ki9 s MET 431 CO 0.00 0.59 0.19 -0.06 -0.01 0.00 0.00 175.02 175.72 3ki9 s PHE 432 N -0.98 3.53 0.61 -0.03 0.08 -1.26 0.00 117.98 119.93 3ki9 s PHE 432 Ca 0.31 0.53 0.27 0.00 0.12 0.00 0.00 56.93 58.15 3ki9 s PHE 432 Cb -0.20 -2.10 0.95 0.00 -0.57 0.00 0.00 43.02 41.10 3ki9 s PHE 432 CO 0.20 0.52 1.33 0.66 -0.10 0.00 0.00 175.22 177.83 3ki9 h SER 433 N 5.73 0.00 0.12 1.36 4.64 -1.96 0.57 113.55 124.01 3ki9 h SER 433 Ca -0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3ki9 h SER 433 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3ki9 h SER 433 CO 0.67 0.00 -0.03 -0.78 -0.87 0.00 0.00 176.83 175.82 3ki9 h ASP 434 N 0.00 0.00 -2.87 4.97 3.58 -2.01 -3.47 116.42 116.62 3ki9 h ASP 434 Ca 0.48 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.40 3ki9 h ASP 434 Cb 2.85 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 43.75 3ki9 h ASP 434 CO -0.01 0.03 -0.76 -0.94 -2.88 0.00 0.00 179.24 174.68 3ki9 s SER 435 N -5.86 3.03 -0.12 2.28 1.04 0.20 -5.09 113.70 109.18 3ki9 s SER 435 Ca -0.04 -0.99 -0.29 0.00 0.48 0.00 0.00 55.95 55.10 3ki9 s SER 435 Cb 0.14 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3ki9 s SER 435 CO 0.52 -0.05 1.58 -1.61 0.98 0.00 0.00 173.24 174.66 3ki9 s GLU 436 N -3.41 4.08 -0.93 4.02 2.02 -1.26 -4.90 118.70 118.32 3ki9 s GLU 436 Ca 0.24 1.95 -0.21 0.00 0.02 0.00 0.00 54.97 56.97 3ki9 s GLU 436 Cb -0.04 -3.96 0.09 0.00 0.10 0.00 0.00 34.13 30.32 3ki9 s GLU 436 CO 0.10 -0.95 1.25 0.34 0.02 0.00 0.00 175.26 176.02 3ki9 s ASP 437 N 3.38 6.50 -0.10 -0.19 -1.08 -1.26 -4.80 116.67 119.11 3ki9 s ASP 437 Ca 0.70 -1.60 0.17 0.00 -0.52 0.00 0.00 52.55 51.30 3ki9 s ASP 437 Cb -0.29 -2.48 0.65 0.00 -1.46 0.00 0.00 42.92 39.34 3ki9 s ASP 437 CO 0.27 -1.33 1.56 0.18 0.52 0.00 0.00 175.17 176.37 3ki9 n LEU 438 N 7.77 4.44 -4.53 -1.34 4.77 -1.26 -4.98 117.00 121.87 3ki9 n LEU 438 Ca 0.23 -2.45 -0.50 0.00 -0.03 0.00 0.00 56.01 53.27 3ki9 n LEU 438 Cb 0.49 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3ki9 n LEU 438 CO 0.59 0.79 0.51 0.23 -1.33 0.00 0.00 177.39 178.19 3ki9 n MET 439 N 0.88 0.74 -0.86 3.23 2.81 -1.26 -0.39 117.12 122.27 3ki9 n MET 439 Ca 0.24 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 3ki9 n MET 439 Cb 0.83 -1.63 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 3ki9 n MET 439 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3ki9 n HIS 440 N 1.01 0.00 -3.25 2.03 8.25 -1.26 -3.63 115.22 118.37 3ki9 n HIS 440 Ca 0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 3ki9 n HIS 440 Cb 0.23 -1.45 0.02 0.00 1.12 0.00 0.00 29.99 29.92 3ki9 n HIS 440 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3ki9 s GLN 441 N -1.30 2.46 0.49 -0.41 -0.21 0.48 -4.08 119.66 117.09 3ki9 s GLN 441 Ca 0.00 -1.59 -0.12 0.00 0.02 0.00 0.00 55.36 53.67 3ki9 s GLN 441 Cb 0.00 -2.54 -0.06 0.00 1.00 0.00 0.00 33.01 31.41 3ki9 s GLN 441 CO 0.00 -0.57 0.90 -1.59 -2.12 0.00 0.00 175.29 171.90 3ki9 s LYS 442 N -4.44 3.77 -1.44 2.91 -2.85 -1.26 -3.78 119.74 112.65 3ki9 s LYS 442 Ca 0.53 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 56.16 3ki9 s LYS 442 Cb -0.06 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 3ki9 s LYS 442 CO 0.33 -0.24 0.00 0.09 0.10 0.00 0.00 175.35 175.62 3ki9 n ASN 443 N -1.80 -5.29 -4.48 0.03 5.03 -1.26 -4.91 115.26 102.58 3ki9 n ASN 443 Ca 0.04 0.34 -0.52 0.00 0.87 0.00 0.00 54.58 55.31 3ki9 n ASN 443 Cb 0.54 -3.99 -0.05 0.00 -1.02 0.00 0.00 39.78 35.26 3ki9 n ASN 443 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 3ki9 n GLU 444 N -1.73 0.27 -3.58 3.52 2.13 -1.25 -4.77 120.64 115.23 3ki9 n GLU 444 Ca -0.14 0.10 -0.11 0.00 0.66 0.00 0.00 57.16 57.67 3ki9 n GLU 444 Cb 0.56 -1.38 -0.04 0.00 0.27 0.00 0.00 31.44 30.85 3ki9 n GLU 444 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3ki9 s TYR 445 N -0.49 -0.30 0.07 4.31 -0.85 -1.26 -1.09 117.35 117.74 3ki9 s TYR 445 Ca 0.75 0.02 0.07 0.00 -0.52 0.00 0.00 57.07 57.39 3ki9 s TYR 445 Cb -1.03 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.66 3ki9 s TYR 445 CO 0.56 -0.79 -0.20 -1.50 -1.52 0.00 0.00 175.55 172.10 3ki9 s ILE 446 N -3.80 1.61 0.20 -3.49 2.07 -0.97 -4.58 121.20 112.25 3ki9 s ILE 446 Ca 0.03 -1.36 -0.20 0.00 -1.41 0.00 0.00 60.65 57.71 3ki9 s ILE 446 Cb 0.00 -1.45 -0.08 0.00 0.13 0.00 0.00 42.46 41.07 3ki9 s ILE 446 CO -0.11 0.03 0.71 -0.89 -1.91 0.00 0.00 174.94 172.78 3ki9 s THR 447 N -1.01 4.56 0.19 4.00 2.01 -1.26 -0.09 115.64 124.03 3ki9 s THR 447 Ca 0.06 1.33 -0.13 0.00 0.31 0.00 0.00 61.69 63.26 3ki9 s THR 447 Cb -0.09 -3.90 0.14 0.00 0.01 0.00 0.00 72.50 68.65 3ki9 s THR 447 CO 0.03 0.29 1.68 0.11 -0.69 0.00 0.00 174.62 176.05 3ki9 h LYS 448 N 3.67 0.13 -0.19 4.92 1.57 -0.73 -1.15 116.57 124.79 3ki9 h LYS 448 Ca -0.48 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.32 3ki9 h LYS 448 Cb 1.20 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 3ki9 h LYS 448 CO 0.65 0.09 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.09 3ki9 h LYS 449 N 0.13 -0.23 -0.12 3.15 3.64 -1.93 0.55 116.57 121.76 3ki9 h LYS 449 Ca 0.26 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.69 3ki9 h LYS 449 Cb 0.40 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 3ki9 h LYS 449 CO -0.42 -0.15 -0.48 0.37 -2.27 0.00 0.00 179.45 176.50 3ki9 h GLN 450 N -0.24 -0.53 -0.44 1.90 4.15 -1.87 0.31 115.11 118.39 3ki9 h GLN 450 Ca 0.04 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.58 3ki9 h GLN 450 Cb 0.34 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.05 3ki9 h GLN 450 CO -0.31 -0.35 -0.20 1.25 -1.93 0.00 0.00 178.83 177.29 3ki9 h LEU 451 N -0.55 -0.69 -0.25 -2.39 5.85 -0.83 0.86 115.31 117.31 3ki9 h LEU 451 Ca 0.05 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.84 3ki9 h LEU 451 Cb 0.66 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 3ki9 h LEU 451 CO -0.41 -0.23 -0.22 -0.26 -0.34 0.00 0.00 178.44 176.98 3ki9 h PHE 452 N -0.11 0.71 -0.04 1.25 0.04 -0.57 -0.20 116.94 118.03 3ki9 h PHE 452 Ca 0.21 -0.21 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3ki9 h PHE 452 Cb 0.44 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 3ki9 h PHE 452 CO -0.46 0.91 -0.31 -0.91 -0.60 0.00 0.00 178.31 176.93 3ki9 h ASN 453 N 0.32 0.08 0.16 2.17 2.35 0.13 -0.85 115.58 119.93 3ki9 h ASN 453 Ca 0.04 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3ki9 h ASN 453 Cb 0.77 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3ki9 h ASN 453 CO 0.06 0.39 -0.08 0.00 -1.65 0.00 0.00 177.43 176.15 3ki9 h ALA 454 N 1.62 -0.21 -0.50 -0.83 0.00 0.92 -2.48 119.26 117.77 3ki9 h ALA 454 Ca 0.01 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3ki9 h ALA 454 Cb 0.59 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3ki9 h ALA 454 CO 0.04 -0.44 -0.35 1.15 0.00 0.00 0.00 179.25 179.65 3ki9 h THR 455 N -0.57 0.18 -0.90 0.00 2.02 -0.78 0.62 112.91 113.47 3ki9 h THR 455 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.28 3ki9 h THR 455 Cb 0.44 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 3ki9 h THR 455 CO 0.04 0.00 0.53 -1.28 0.37 0.00 0.00 175.52 175.17 3ki9 h SER 456 N -0.22 0.73 -0.02 4.18 0.87 -1.11 0.32 113.55 118.30 3ki9 h SER 456 Ca 0.20 0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.62 3ki9 h SER 456 Cb 0.55 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3ki9 h SER 456 CO -0.62 0.38 -0.70 0.40 -0.53 0.00 0.00 176.83 175.76 3ki9 h ILE 457 N 0.82 1.31 -0.17 2.23 2.04 -0.77 -1.73 117.51 121.23 3ki9 h ILE 457 Ca 0.46 -1.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.32 3ki9 h ILE 457 Cb 0.51 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3ki9 h ILE 457 CO -0.29 0.61 -0.06 1.88 0.00 0.00 0.00 178.15 180.29 3ki9 h TYR 458 N 0.47 0.27 0.26 1.37 0.05 0.39 -1.46 116.97 118.32 3ki9 h TYR 458 Ca -0.03 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 3ki9 h TYR 458 Cb 1.29 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.96 3ki9 h TYR 458 CO 0.07 0.33 -0.13 1.25 -1.05 0.00 0.00 178.16 178.63 3ki9 h LEU 459 N 0.25 -0.30 -0.82 3.88 5.85 0.20 -1.08 115.31 123.30 3ki9 h LEU 459 Ca 0.06 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 3ki9 h LEU 459 Cb 0.28 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3ki9 h LEU 459 CO 0.01 0.02 0.03 -0.08 -0.34 0.00 0.00 178.44 178.09 3ki9 h GLU 460 N -0.64 0.92 -0.14 1.25 4.81 -1.27 -1.52 114.58 117.99 3ki9 h GLU 460 Ca -0.04 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3ki9 h GLU 460 Cb 0.45 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3ki9 h GLU 460 CO 0.06 0.89 0.01 0.00 -0.73 0.00 0.00 179.01 179.24 3ki9 h ALA 461 N 1.17 0.19 -0.00 2.92 0.00 -1.26 0.10 119.26 122.38 3ki9 h ALA 461 Ca 0.17 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3ki9 h ALA 461 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ki9 h ALA 461 CO 0.02 -0.13 -0.50 0.82 0.00 0.00 0.00 179.25 179.46 3ki9 h ILE 462 N 0.00 1.36 0.76 0.00 2.04 -1.16 -2.67 117.51 117.83 3ki9 h ILE 462 Ca 0.04 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.15 3ki9 h ILE 462 Cb 0.34 1.92 0.01 0.00 -0.74 0.00 0.00 36.82 38.34 3ki9 h ILE 462 CO 0.01 0.49 -0.36 0.22 0.00 0.00 0.00 178.15 178.50 3ki9 h TYR 463 N 0.01 -0.94 -0.80 1.37 3.20 -1.14 -1.98 116.97 116.69 3ki9 h TYR 463 Ca -0.00 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 62.07 3ki9 h TYR 463 Cb 0.88 0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 3ki9 h TYR 463 CO 0.00 -0.59 0.91 0.66 -1.64 0.00 0.00 178.16 177.51 3ki9 h SER 464 N -1.25 0.00 0.00 -2.11 4.64 -0.56 -0.25 113.55 114.03 3ki9 h SER 464 Ca -0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3ki9 h SER 464 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3ki9 h SER 464 CO 0.17 0.00 -1.43 -0.11 -0.87 0.00 0.00 176.83 174.59 3ki9 n LEU 465 N -3.43 0.00 0.00 5.97 0.00 -1.03 -4.18 117.00 114.33 3ki9 n LEU 465 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.18 3ki9 n LEU 465 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 43.42 44.64 3ki9 n LEU 465 CO 0.25 0.04 -0.07 0.00 0.00 0.00 0.00 177.39 177.62 3ki9 n VAL 467 N -0.59 0.85 -2.62 0.00 0.31 -0.16 0.10 118.33 116.23 3ki9 n VAL 467 Ca 0.00 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.83 3ki9 n VAL 467 Cb 0.00 -1.73 -0.02 0.00 -0.91 0.00 0.00 33.84 31.18 3ki9 n VAL 467 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3ki9 s GLU 468 N -2.28 3.88 0.00 5.55 2.12 -1.06 -4.59 118.70 122.32 3ki9 s GLU 468 Ca -0.17 0.80 0.15 0.00 0.36 0.00 0.00 54.97 56.11 3ki9 s GLU 468 Cb 0.06 -3.83 0.12 0.00 0.26 0.00 0.00 34.13 30.73 3ki9 s GLU 468 CO 0.22 -1.17 0.97 0.39 -0.54 0.00 0.00 175.26 175.13