#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khx h TRP 2 N 0.00 0.97 0.00 1.12 -0.00 -2.00 5.24 115.95 121.28 3khx h TRP 2 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3khx h TRP 2 Cb 0.00 -0.31 -0.00 0.00 -0.00 0.00 0.00 29.16 28.85 3khx h TRP 2 CO 0.00 0.49 -0.00 0.87 -0.00 0.00 0.00 178.44 179.80 3khx h LYS 3 N 0.96 0.00 0.18 0.49 1.57 -1.95 -2.37 116.57 115.44 3khx h LYS 3 Ca 0.37 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3khx h LYS 3 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3khx h LYS 3 CO -0.17 0.00 -0.09 1.05 -0.57 0.00 0.00 179.45 179.68 3khx h GLU 4 N 0.00 -0.23 -0.51 3.15 4.11 0.99 -3.12 114.58 118.97 3khx h GLU 4 Ca -0.00 0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.50 3khx h GLU 4 Cb 0.05 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 3khx h GLU 4 CO 0.00 0.10 -0.43 0.87 0.07 0.00 0.00 179.01 179.62 3khx h LYS 5 N -0.97 -0.15 -0.62 1.06 6.56 -0.70 -2.94 116.57 118.81 3khx h LYS 5 Ca -0.02 0.01 0.13 0.00 -1.06 0.00 0.00 60.65 59.70 3khx h LYS 5 Cb 0.44 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 32.01 3khx h LYS 5 CO 0.04 -0.10 -0.14 0.28 -2.06 0.00 0.00 179.45 177.47 3khx h VAL 6 N -0.16 0.39 -1.33 0.50 2.07 -1.56 0.57 116.25 116.72 3khx h VAL 6 Ca 0.08 -0.00 0.45 0.00 0.82 0.00 0.00 66.70 68.05 3khx h VAL 6 Cb 0.38 0.38 -0.13 0.00 -1.52 0.00 0.00 31.29 30.39 3khx h VAL 6 CO -0.56 0.00 0.85 1.56 0.02 0.00 0.00 177.57 179.44 3khx h GLN 7 N 0.01 0.06 0.00 1.57 7.50 -1.44 1.11 115.11 123.92 3khx h GLN 7 Ca 0.30 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.44 3khx h GLN 7 Cb 0.46 -0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 3khx h GLN 7 CO -0.63 0.04 -0.04 -0.56 -1.50 0.00 0.00 178.83 176.14 3khx h GLN 8 N 0.06 0.00 -0.20 1.46 3.07 0.12 -3.14 115.11 116.48 3khx h GLN 8 Ca 0.84 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.58 3khx h GLN 8 Cb 2.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.19 3khx h GLN 8 CO -0.44 0.04 0.00 0.66 0.09 0.00 0.00 178.83 179.18 3khx n TYR 9 N -3.18 0.64 -0.07 0.06 4.01 0.38 -4.78 117.16 114.22 3khx n TYR 9 Ca -0.00 -0.85 -0.07 0.00 -0.16 0.00 0.00 57.90 56.82 3khx n TYR 9 Cb 0.27 -0.23 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 3khx n TYR 9 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3khx h GLU 10 N 1.35 -0.06 -0.55 -0.72 5.08 -1.49 -1.48 114.58 116.70 3khx h GLU 10 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3khx h GLU 10 Cb 1.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3khx h GLU 10 CO 0.14 -0.04 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.60 3khx h ASP 11 N -0.07 1.00 -0.46 1.42 3.32 -1.88 -1.99 116.42 117.77 3khx h ASP 11 Ca 0.14 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 3khx h ASP 11 Cb 0.28 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3khx h ASP 11 CO -0.33 1.09 -0.21 1.56 -1.72 0.00 0.00 179.24 179.64 3khx h GLN 12 N 0.91 0.96 -0.36 3.56 4.20 -1.85 0.16 115.11 122.70 3khx h GLN 12 Ca 0.15 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3khx h GLN 12 Cb 0.62 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3khx h GLN 12 CO 0.04 1.08 0.23 0.82 -0.67 0.00 0.00 178.83 180.33 3khx h ILE 13 N 0.81 1.11 -0.43 2.54 2.04 -1.16 -0.57 117.51 121.85 3khx h ILE 13 Ca 0.11 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 3khx h ILE 13 Cb 0.78 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3khx h ILE 13 CO 0.06 0.10 -0.05 0.40 0.00 0.00 0.00 178.15 178.67 3khx h ILE 14 N 0.48 1.27 0.20 -0.67 1.08 -1.13 -1.09 117.51 117.65 3khx h ILE 14 Ca 0.13 -1.12 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 3khx h ILE 14 Cb -0.03 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3khx h ILE 14 CO -0.03 0.38 -0.10 0.78 -0.69 0.00 0.00 178.15 178.50 3khx h ASN 15 N 0.63 -0.23 -0.51 1.72 2.35 -0.45 -1.98 115.58 117.11 3khx h ASN 15 Ca 0.12 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3khx h ASN 15 Cb 0.56 0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 3khx h ASN 15 CO 0.03 -0.01 0.28 0.44 -1.65 0.00 0.00 177.43 176.52 3khx h ASP 16 N -0.45 0.67 -0.90 5.81 3.32 -1.10 -1.39 116.42 122.38 3khx h ASP 16 Ca -0.03 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3khx h ASP 16 Cb 0.34 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3khx h ASP 16 CO 0.05 0.56 0.51 0.25 -1.72 0.00 0.00 179.24 178.88 3khx h LEU 17 N 0.75 1.12 -0.50 1.55 5.85 -1.08 -2.89 115.31 120.12 3khx h LEU 17 Ca 0.19 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 3khx h LEU 17 Cb 0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3khx h LEU 17 CO -0.03 0.89 -0.46 0.07 -0.34 0.00 0.00 178.44 178.57 3khx h LYS 18 N 1.26 0.72 -0.84 1.25 2.10 -0.47 0.69 116.57 121.27 3khx h LYS 18 Ca 0.32 -0.40 0.08 0.00 -2.00 0.00 0.00 60.65 58.64 3khx h LYS 18 Cb 0.01 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 31.31 3khx h LYS 18 CO -0.05 1.02 0.55 0.78 -2.00 0.00 0.00 179.45 179.75 3khx h GLY 19 N 0.92 1.18 1.29 0.07 0.00 -1.42 -0.10 103.07 105.01 3khx h GLY 19 Ca 0.03 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 46.78 3khx h GLY 19 CO 0.10 0.24 -0.85 -2.00 0.00 0.00 0.00 176.54 174.02 3khx h LEU 20 N 0.88 0.82 -1.26 3.11 6.46 -1.18 -3.17 115.31 120.96 3khx h LEU 20 Ca 0.37 -0.58 -0.03 0.00 -0.12 0.00 0.00 57.88 57.53 3khx h LEU 20 Cb 0.31 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 3khx h LEU 20 CO -0.14 1.37 0.20 -0.07 -0.62 0.00 0.00 178.44 179.18 3khx h LEU 21 N 0.43 0.65 0.00 2.25 4.07 -0.27 -2.95 115.31 119.48 3khx h LEU 21 Ca -0.07 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3khx h LEU 21 Cb 1.48 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.05 3khx h LEU 21 CO 0.17 0.58 0.00 0.00 -1.08 0.00 0.00 178.44 178.11 3khx n ALA 22 N -2.46 2.14 -2.57 1.53 0.00 -0.11 -4.56 120.51 114.48 3khx n ALA 22 Ca 0.04 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 3khx n ALA 22 Cb 0.15 -1.39 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 3khx n ALA 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3khx s ILE 23 N -2.91 4.88 -1.24 0.00 1.01 -1.12 -4.89 121.20 116.93 3khx s ILE 23 Ca 0.14 0.58 -0.18 0.00 0.00 0.00 0.00 60.65 61.20 3khx s ILE 23 Cb 0.16 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 3khx s ILE 23 CO 0.43 -0.33 1.99 -1.84 0.00 0.00 0.00 174.94 175.20 3khx n GLU 24 N 6.07 2.51 -1.23 2.79 0.28 -1.26 -4.82 120.64 124.97 3khx n GLU 24 Ca -0.01 -2.62 -0.36 0.00 -0.16 0.00 0.00 57.16 54.02 3khx n GLU 24 Cb 0.49 -3.33 -0.02 0.00 1.43 0.00 0.00 31.44 30.00 3khx n GLU 24 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3khx n SER 25 N 8.09 6.47 -4.85 -1.84 3.41 -1.26 -4.49 113.62 119.15 3khx n SER 25 Ca 0.50 -2.56 -0.37 0.00 -0.26 0.00 0.00 58.87 56.17 3khx n SER 25 Cb 0.42 -1.43 -0.06 0.00 -0.26 0.00 0.00 64.21 62.88 3khx n SER 25 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3khx s VAL 26 N 2.88 5.34 0.25 -3.33 0.11 -1.26 -1.17 120.40 123.22 3khx s VAL 26 Ca 0.57 0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 59.76 3khx s VAL 26 Cb 0.15 -3.52 -0.09 0.00 -1.53 0.00 0.00 36.38 31.39 3khx s VAL 26 CO -0.04 0.59 1.29 -0.60 -3.33 0.00 0.00 175.10 173.00 3khx s ARG 27 N -0.91 4.40 -0.41 1.54 3.52 -1.26 -4.43 118.95 121.39 3khx s ARG 27 Ca 0.18 2.09 0.05 0.00 -0.13 0.00 0.00 55.73 57.92 3khx s ARG 27 Cb -0.14 -3.15 0.19 0.00 -1.56 0.00 0.00 34.95 30.30 3khx s ARG 27 CO 0.07 -0.18 0.41 -3.47 -0.81 0.00 0.00 175.30 171.31 3khx n ASP 28 N 1.86 -0.50 -0.33 -2.12 -0.08 0.11 -4.98 116.55 110.50 3khx n ASP 28 Ca 0.03 -2.48 0.17 0.00 -1.51 0.00 0.00 54.79 51.00 3khx n ASP 28 Cb 0.43 -0.44 0.40 0.00 2.34 0.00 0.00 41.12 43.85 3khx n ASP 28 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3khx h ASP 29 N 5.19 0.64 0.02 1.67 3.32 -1.93 0.17 116.42 125.50 3khx h ASP 29 Ca 0.21 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3khx h ASP 29 Cb 0.91 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 3khx h ASP 29 CO 0.38 0.17 -0.00 0.00 -1.72 0.00 0.00 179.24 178.07 3khx h ALA 30 N 1.66 1.16 -0.19 3.45 0.00 -1.94 -1.46 119.26 121.94 3khx h ALA 30 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3khx h ALA 30 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3khx h ALA 30 CO -0.37 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.52 3khx n LYS 31 N -3.32 2.77 -0.98 0.00 5.02 0.56 -5.06 118.16 117.15 3khx n LYS 31 Ca -0.03 -1.76 -0.29 0.00 -2.02 0.00 0.00 58.31 54.21 3khx n LYS 31 Cb 0.08 -1.15 0.22 0.00 -0.02 0.00 0.00 35.03 34.16 3khx n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khx s ALA 32 N -0.98 0.44 -0.04 7.82 0.00 -0.55 -4.63 121.76 123.82 3khx s ALA 32 Ca 0.13 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 3khx s ALA 32 Cb 0.07 -3.03 0.10 0.00 0.00 0.00 0.00 23.12 20.26 3khx s ALA 32 CO 0.09 -3.44 1.32 -1.54 0.00 0.00 0.00 175.76 172.19 3khx s SER 33 N -3.47 -0.00 0.21 0.00 1.04 -0.09 -4.94 113.70 106.45 3khx s SER 33 Ca 0.68 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.89 3khx s SER 33 Cb -0.16 0.10 0.27 0.00 0.10 0.00 0.00 66.02 66.33 3khx s SER 33 CO 0.58 -0.20 1.76 1.05 0.98 0.00 0.00 173.24 177.41 3khx h GLU 34 N 2.00 0.45 0.00 4.02 9.09 -1.97 -1.60 114.58 126.58 3khx h GLU 34 Ca -0.24 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.15 3khx h GLU 34 Cb 1.18 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3khx h GLU 34 CO 0.30 0.30 0.00 -0.44 0.05 0.00 0.00 179.01 179.22 3khx h ASP 35 N 0.46 0.00 -1.70 3.06 3.32 -1.95 -3.37 116.42 116.25 3khx h ASP 35 Ca 0.30 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.99 3khx h ASP 35 Cb 0.34 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.61 3khx h ASP 35 CO -0.27 0.00 -0.72 0.00 -1.72 0.00 0.00 179.24 176.53 3khx s ALA 36 N -3.48 -0.42 -0.03 3.45 0.00 -0.81 -4.92 121.76 115.55 3khx s ALA 36 Ca 0.03 -1.33 0.31 0.00 0.00 0.00 0.00 51.96 50.98 3khx s ALA 36 Cb 0.09 -2.15 1.38 0.00 0.00 0.00 0.00 23.12 22.43 3khx s ALA 36 CO 0.54 -2.12 1.92 -1.00 0.00 0.00 0.00 175.76 175.11 3khx h PRO 37 N 5.63 0.00 0.00 0.00 0.13 -1.48 -0.03 132.00 136.25 3khx h PRO 37 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3khx h PRO 37 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 3khx h PRO 37 CO 0.19 0.00 -0.21 1.33 -0.23 0.00 0.00 178.00 179.08 3khx n VAL 38 N -2.75 1.31 0.00 1.56 0.24 -1.26 -4.56 118.33 112.87 3khx n VAL 38 Ca 0.00 -1.64 0.00 0.00 -2.04 0.00 0.00 64.34 60.67 3khx n VAL 38 Cb 0.22 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 3khx n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3khx n GLY 39 N -0.95 2.89 0.33 7.63 0.00 -0.77 0.05 105.19 114.37 3khx n GLY 39 Ca 0.11 -1.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 3khx n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khx h PRO 40 N 0.00 1.12 0.06 1.61 0.13 -1.83 -3.19 132.00 129.90 3khx h PRO 40 Ca 0.00 -0.23 0.02 0.00 -0.87 0.00 0.00 66.00 64.92 3khx h PRO 40 Cb 0.00 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 30.91 3khx h PRO 40 CO 0.00 0.94 -0.50 0.78 -0.23 0.00 0.00 178.00 178.99 3khx h GLY 41 N 1.11 -1.16 0.58 1.56 0.00 -1.79 -1.13 103.07 102.23 3khx h GLY 41 Ca 0.24 0.65 0.08 0.00 0.00 0.00 0.00 47.33 48.30 3khx h GLY 41 CO -0.01 -0.27 0.39 -2.55 0.00 0.00 0.00 176.54 174.11 3khx h PRO 42 N -0.67 0.67 -0.74 4.80 0.11 -1.75 -1.83 132.00 132.59 3khx h PRO 42 Ca 0.00 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.17 3khx h PRO 42 Cb 0.70 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.61 3khx h PRO 42 CO -0.30 0.45 0.49 -0.09 -0.21 0.00 0.00 178.00 178.33 3khx h ARG 43 N 0.69 0.63 -0.15 1.05 9.65 -1.44 -1.50 114.38 123.32 3khx h ARG 43 Ca 0.34 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 59.10 3khx h ARG 43 Cb 0.28 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 3khx h ARG 43 CO -0.23 0.42 -0.25 0.87 2.80 0.00 0.00 179.97 183.59 3khx h LYS 44 N 0.65 0.43 -0.53 0.20 1.57 -0.41 -2.29 116.57 116.19 3khx h LYS 44 Ca 0.34 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3khx h LYS 44 Cb 0.46 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3khx h LYS 44 CO -0.12 0.86 0.11 0.00 -0.57 0.00 0.00 179.45 179.72 3khx h ALA 45 N 0.57 1.20 -0.18 3.86 0.00 -1.17 -1.04 119.26 122.51 3khx h ALA 45 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3khx h ALA 45 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3khx h ALA 45 CO 0.06 0.54 0.07 1.25 0.00 0.00 0.00 179.25 181.17 3khx h LEU 46 N 0.78 0.24 -1.15 0.00 5.85 -1.26 -2.50 115.31 117.27 3khx h LEU 46 Ca 0.17 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3khx h LEU 46 Cb 0.32 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3khx h LEU 46 CO 0.00 0.33 -0.14 0.44 -0.34 0.00 0.00 178.44 178.73 3khx h ASP 47 N 0.14 0.41 -0.71 1.25 3.32 -1.24 -2.13 116.42 117.46 3khx h ASP 47 Ca 0.06 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3khx h ASP 47 Cb 0.16 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3khx h ASP 47 CO -0.01 0.58 0.47 0.22 -1.72 0.00 0.00 179.24 178.79 3khx h TYR 48 N 0.39 0.88 -0.36 4.55 3.20 -1.04 0.30 116.97 124.89 3khx h TYR 48 Ca 0.07 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.81 3khx h TYR 48 Cb 0.49 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3khx h TYR 48 CO 0.01 0.55 -0.37 0.52 -1.64 0.00 0.00 178.16 177.23 3khx h MET 49 N 0.94 0.87 -0.80 1.82 2.86 -0.94 -1.57 114.93 118.11 3khx h MET 49 Ca 0.27 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 3khx h MET 49 Cb -0.08 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 3khx h MET 49 CO -0.06 1.09 0.45 1.88 1.06 0.00 0.00 176.91 181.33 3khx h TYR 50 N 0.71 1.09 0.13 -0.22 0.05 -1.01 -2.59 116.97 115.13 3khx h TYR 50 Ca 0.06 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 3khx h TYR 50 Cb 0.95 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.34 3khx h TYR 50 CO 0.06 0.75 -0.06 1.49 -1.05 0.00 0.00 178.16 179.34 3khx h GLU 51 N 1.11 -0.17 -0.15 4.88 4.81 0.02 -0.38 114.58 124.70 3khx h GLU 51 Ca 0.28 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3khx h GLU 51 Cb 0.01 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3khx h GLU 51 CO -0.05 -0.05 -0.05 -0.84 -0.73 0.00 0.00 179.01 177.29 3khx h ILE 52 N -0.25 1.13 -0.50 2.32 3.07 -1.30 -0.45 117.51 121.52 3khx h ILE 52 Ca -0.02 -0.52 -0.05 0.00 1.55 0.00 0.00 64.86 65.82 3khx h ILE 52 Cb 0.20 1.07 -0.02 0.00 -0.27 0.00 0.00 36.82 37.80 3khx h ILE 52 CO 0.03 0.17 0.12 0.00 -1.05 0.00 0.00 178.15 177.42 3khx h ALA 53 N 1.75 0.66 -0.53 0.16 0.00 -1.04 -1.24 119.26 119.02 3khx h ALA 53 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3khx h ALA 53 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3khx h ALA 53 CO 0.01 0.35 -0.04 0.45 0.00 0.00 0.00 179.25 180.02 3khx h HIS 54 N 0.69 1.02 -0.39 0.00 3.86 -0.43 0.88 115.15 120.79 3khx h HIS 54 Ca 0.16 -0.18 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3khx h HIS 54 Cb 0.34 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3khx h HIS 54 CO 0.02 0.94 0.26 -0.09 0.86 0.00 0.00 177.93 179.92 3khx h ARG 55 N 0.86 0.35 -0.66 2.45 2.43 -0.79 -2.77 114.38 116.24 3khx h ARG 55 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3khx h ARG 55 Cb 0.56 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3khx h ARG 55 CO 0.03 0.23 0.00 -0.25 -1.51 0.00 0.00 179.97 178.47 3khx n ASP 56 N -4.48 4.12 0.00 -3.80 8.00 -0.44 -4.95 116.55 114.99 3khx n ASP 56 Ca 0.04 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.38 3khx n ASP 56 Cb 0.20 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3khx n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3khx n GLY 57 N 1.31 0.70 3.88 0.44 0.00 -0.49 -5.03 105.19 106.01 3khx n GLY 57 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3khx n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khx s PHE 58 N -2.50 3.46 0.14 1.61 0.08 0.18 -4.99 117.98 115.95 3khx s PHE 58 Ca 0.00 0.87 -0.17 0.00 0.12 0.00 0.00 56.93 57.75 3khx s PHE 58 Cb 0.00 -2.29 -0.07 0.00 -0.57 0.00 0.00 43.02 40.09 3khx s PHE 58 CO 0.00 0.08 0.59 0.99 -0.10 0.00 0.00 175.22 176.78 3khx s THR 59 N -2.14 4.76 0.29 0.64 2.01 -1.26 -4.11 115.64 115.84 3khx s THR 59 Ca 0.48 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.58 3khx s THR 59 Cb -0.11 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 3khx s THR 59 CO 0.28 0.35 -0.01 0.42 -0.69 0.00 0.00 174.62 174.97 3khx s THR 60 N -1.35 1.41 -0.17 -0.82 -4.23 -1.26 -0.31 115.64 108.90 3khx s THR 60 Ca 0.36 -2.06 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 3khx s THR 60 Cb -0.17 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.17 3khx s THR 60 CO 0.19 -0.20 0.40 -2.28 -0.54 0.00 0.00 174.62 172.20 3khx s HIS 61 N -3.16 -0.61 -0.05 3.99 2.46 -0.71 -4.98 115.29 112.22 3khx s HIS 61 Ca 0.32 1.29 0.00 0.00 0.47 0.00 0.00 55.06 57.14 3khx s HIS 61 Cb 0.06 0.26 -0.03 0.00 -0.13 0.00 0.00 32.58 32.73 3khx s HIS 61 CO 0.13 -0.36 -0.03 0.34 -2.47 0.00 0.00 174.74 172.35 3khx s ASP 62 N 1.56 4.94 -0.36 9.88 2.15 -1.26 -0.44 116.67 133.13 3khx s ASP 62 Ca -0.08 0.03 0.00 0.00 0.43 0.00 0.00 52.55 52.92 3khx s ASP 62 Cb -0.09 -1.29 0.10 0.00 -0.30 0.00 0.00 42.92 41.33 3khx s ASP 62 CO -0.13 0.34 0.10 0.68 -0.17 0.00 0.00 175.17 176.00 3khx s VAL 63 N -0.91 2.83 -1.70 1.11 -7.23 0.21 -4.73 120.40 109.97 3khx s VAL 63 Ca 0.15 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3khx s VAL 63 Cb -0.11 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.90 3khx s VAL 63 CO 0.04 -0.54 0.00 0.47 -0.31 0.00 0.00 175.10 174.76 3khx n ASP 64 N 4.47 -4.87 -1.97 4.85 8.00 -1.26 -0.98 116.55 124.79 3khx n ASP 64 Ca -0.02 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.57 3khx n ASP 64 Cb 0.42 -4.23 -0.04 0.00 -0.02 0.00 0.00 41.12 37.24 3khx n ASP 64 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3khx n HIS 65 N -2.90 -0.68 -0.01 1.24 8.25 -1.26 -4.78 115.22 115.09 3khx n HIS 65 Ca -0.19 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.29 3khx n HIS 65 Cb 0.61 -3.28 -0.04 0.00 1.12 0.00 0.00 29.99 28.40 3khx n HIS 65 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3khx n ILE 66 N -2.97 0.04 -3.50 1.59 3.06 -0.15 -4.67 119.36 112.76 3khx n ILE 66 Ca -0.19 -0.13 -0.09 0.00 -2.50 0.00 0.00 62.75 59.84 3khx n ILE 66 Cb 0.62 0.23 -0.02 0.00 0.54 0.00 0.00 39.64 41.00 3khx n ILE 66 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3khx s ALA 67 N -2.34 -1.82 0.03 1.51 0.00 -1.15 -2.17 121.76 115.83 3khx s ALA 67 Ca -0.02 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.92 3khx s ALA 67 Cb 0.03 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.52 3khx s ALA 67 CO 0.22 -0.66 0.22 0.41 0.00 0.00 0.00 175.76 175.95 3khx n GLY 68 N -0.15 1.06 3.12 0.00 0.00 -0.67 0.65 105.19 109.19 3khx n GLY 68 Ca -0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 3khx n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3khx s ARG 69 N -2.01 0.72 -0.10 1.61 1.70 0.41 -0.20 118.95 121.08 3khx s ARG 69 Ca 0.05 -1.24 -0.01 0.00 -0.47 0.00 0.00 55.73 54.06 3khx s ARG 69 Cb -0.01 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 3khx s ARG 69 CO 0.01 -0.17 -0.07 0.42 -1.08 0.00 0.00 175.30 174.41 3khx s ILE 70 N -3.94 3.62 -0.11 4.99 1.01 -0.08 -1.73 121.20 124.96 3khx s ILE 70 Ca 0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3khx s ILE 70 Cb 0.07 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3khx s ILE 70 CO -0.07 0.55 -0.06 -1.61 0.00 0.00 0.00 174.94 173.75 3khx s GLU 71 N -0.25 3.18 0.32 2.79 2.02 0.57 -1.50 118.70 125.84 3khx s GLU 71 Ca 0.03 -0.55 0.07 0.00 0.02 0.00 0.00 54.97 54.54 3khx s GLU 71 Cb -0.13 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.35 3khx s GLU 71 CO 0.03 0.45 0.27 0.00 0.02 0.00 0.00 175.26 176.03 3khx s ALA 72 N -0.23 1.83 0.00 5.21 0.00 -0.83 -3.99 121.76 123.75 3khx s ALA 72 Ca 0.03 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 49.93 3khx s ALA 72 Cb -0.13 1.48 0.00 0.00 0.00 0.00 0.00 23.12 24.47 3khx s ALA 72 CO 0.03 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3khx n GLY 73 N -0.61 -0.87 3.61 0.00 0.00 -1.26 -0.77 105.19 105.29 3khx n GLY 73 Ca 0.07 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 3khx n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khx s LYS 74 N 0.00 0.61 0.00 1.61 2.36 -0.37 -4.68 119.74 119.28 3khx s LYS 74 Ca 0.00 0.47 0.00 0.00 -2.55 0.00 0.00 55.97 53.89 3khx s LYS 74 Cb 0.00 0.29 0.00 0.00 -1.05 0.00 0.00 37.83 37.07 3khx s LYS 74 CO 0.00 -0.13 0.00 0.41 1.55 0.00 0.00 175.35 177.18 3khx n GLY 75 N 1.69 1.17 0.15 5.54 0.00 -1.26 -0.72 105.19 111.76 3khx n GLY 75 Ca -0.12 -1.99 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 3khx n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3khx h ASN 76 N 0.00 0.65 -3.97 1.61 -0.26 -1.97 -3.38 115.58 108.26 3khx h ASN 76 Ca 0.00 -0.58 -0.45 0.00 -0.56 0.00 0.00 56.30 54.71 3khx h ASN 76 Cb 0.00 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 3khx h ASN 76 CO 0.00 1.40 0.33 -1.81 -1.06 0.00 0.00 177.43 176.29 3khx s ASP 77 N -7.23 7.09 -0.18 5.81 1.01 -1.26 -4.93 116.67 116.98 3khx s ASP 77 Ca -0.07 1.73 0.01 0.00 0.71 0.00 0.00 52.55 54.93 3khx s ASP 77 Cb 0.07 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.48 3khx s ASP 77 CO 0.90 -0.23 -0.16 -0.69 0.21 0.00 0.00 175.17 175.19 3khx s VAL 78 N -1.94 1.86 -0.06 -1.27 1.01 -1.26 -1.28 120.40 117.45 3khx s VAL 78 Ca 0.57 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.41 3khx s VAL 78 Cb -0.13 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3khx s VAL 78 CO 0.17 0.43 0.71 -0.22 0.00 0.00 0.00 175.10 176.19 3khx s LEU 79 N 1.35 4.32 -0.14 3.92 2.96 -0.08 -0.16 118.68 130.85 3khx s LEU 79 Ca 0.03 1.21 -0.00 0.00 -0.22 0.00 0.00 54.13 55.15 3khx s LEU 79 Cb -0.14 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.43 3khx s LEU 79 CO -0.11 -0.12 -0.13 -0.83 -1.32 0.00 0.00 176.35 173.84 3khx s GLY 80 N 0.80 1.52 -0.25 7.98 0.00 -0.13 0.40 107.32 117.65 3khx s GLY 80 Ca 0.38 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.19 3khx s GLY 80 CO 0.19 -0.12 -0.09 -0.42 0.00 0.00 0.00 173.10 172.66 3khx s ILE 81 N 0.49 1.89 -0.17 0.90 1.01 -0.40 -0.38 121.20 124.54 3khx s ILE 81 Ca -0.09 -1.46 -0.08 0.00 0.00 0.00 0.00 60.65 59.02 3khx s ILE 81 Cb -0.16 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3khx s ILE 81 CO 0.04 -0.06 0.10 -0.76 0.00 0.00 0.00 174.94 174.26 3khx s LEU 82 N 1.23 4.07 0.18 2.97 1.02 -0.49 -0.94 118.68 126.72 3khx s LEU 82 Ca -0.08 0.23 -0.13 0.00 0.02 0.00 0.00 54.13 54.17 3khx s LEU 82 Cb -0.19 -2.02 0.01 0.00 0.02 0.00 0.00 46.19 44.00 3khx s LEU 82 CO -0.06 0.24 0.40 0.00 0.02 0.00 0.00 176.35 176.96 3khx s HIS 84 N -3.92 2.27 -0.52 0.00 3.76 -1.26 0.54 115.29 116.16 3khx s HIS 84 Ca 0.13 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 54.67 3khx s HIS 84 Cb 0.01 -1.44 0.08 0.00 1.11 0.00 0.00 32.58 32.35 3khx s HIS 84 CO -0.01 -0.00 0.87 1.33 -0.85 0.00 0.00 174.74 176.08 3khx n VAL 85 N 2.30 0.46 -2.83 -0.90 0.24 -0.67 -4.31 118.33 112.62 3khx n VAL 85 Ca -0.16 -0.73 -0.34 0.00 -2.04 0.00 0.00 64.34 61.07 3khx n VAL 85 Cb 0.51 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 3khx n VAL 85 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3khx s ASP 86 N -0.68 7.03 0.30 -1.34 -4.77 -1.26 -4.75 116.67 111.19 3khx s ASP 86 Ca 0.08 1.70 0.05 0.00 -3.30 0.00 0.00 52.55 51.08 3khx s ASP 86 Cb 0.05 -2.54 -0.06 0.00 -1.09 0.00 0.00 42.92 39.28 3khx s ASP 86 CO 0.07 -0.28 -0.00 0.68 0.70 0.00 0.00 175.17 176.34 3khx s VAL 87 N -2.03 1.40 0.45 2.11 -7.23 -0.32 -4.62 120.40 110.17 3khx s VAL 87 Ca 0.59 -2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 3khx s VAL 87 Cb -0.11 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.17 3khx s VAL 87 CO 0.16 -0.17 0.82 -0.69 -0.31 0.00 0.00 175.10 174.91 3khx s VAL 88 N -3.17 4.77 0.29 1.32 1.01 -1.26 -4.28 120.40 119.08 3khx s VAL 88 Ca 0.32 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.64 3khx s VAL 88 Cb 0.06 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 3khx s VAL 88 CO 0.13 -0.67 1.17 -2.16 0.00 0.00 0.00 175.10 173.57 3khx s PRO 89 N -4.18 4.54 0.00 2.72 0.04 -1.26 -4.97 135.00 131.89 3khx s PRO 89 Ca 0.52 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.49 3khx s PRO 89 Cb -0.10 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.28 3khx s PRO 89 CO 0.36 0.07 0.00 -1.13 0.04 0.00 0.00 177.00 176.34 3khx n SER 96 N 1.19 0.00 -4.64 6.66 3.41 -1.26 -5.11 113.62 113.87 3khx n SER 96 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 3khx n SER 96 Cb 0.44 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 3khx n SER 96 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3khx s ASN 97 N 0.00 6.81 0.25 4.04 3.84 -1.26 -4.90 114.94 123.72 3khx s ASN 97 Ca 0.00 1.39 0.21 0.00 0.21 0.00 0.00 52.86 54.67 3khx s ASN 97 Cb 0.00 -2.54 0.98 0.00 -0.55 0.00 0.00 41.25 39.14 3khx s ASN 97 CO 0.00 -0.93 1.63 -2.65 -2.79 0.00 0.00 177.10 172.36 3khx n PRO 98 N 6.98 0.15 -0.20 0.43 -0.02 -1.26 -2.07 135.00 139.00 3khx n PRO 98 Ca 0.14 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 3khx n PRO 98 Cb 0.46 -1.86 0.16 0.00 -0.02 0.00 0.00 33.50 32.24 3khx n PRO 98 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3khx n PHE 99 N -2.16 0.40 -3.91 6.00 3.72 -1.26 -1.63 117.46 118.62 3khx n PHE 99 Ca 0.01 -0.80 -0.31 0.00 -0.05 0.00 0.00 57.45 56.30 3khx n PHE 99 Cb 0.13 -0.17 -0.15 0.00 -0.94 0.00 0.00 39.48 38.35 3khx n PHE 99 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3khx s GLU 100 N -2.26 1.20 0.81 -1.08 2.02 -0.88 -4.30 118.70 114.21 3khx s GLU 100 Ca 0.29 -1.52 -0.14 0.00 0.02 0.00 0.00 54.97 53.62 3khx s GLU 100 Cb 0.23 -2.71 0.06 0.00 0.10 0.00 0.00 34.13 31.81 3khx s GLU 100 CO 0.06 -0.94 0.98 -0.35 0.02 0.00 0.00 175.26 175.04 3khx n PRO 101 N 4.50 0.13 -3.89 0.39 -0.04 -1.26 -4.61 135.00 130.22 3khx n PRO 101 Ca 0.01 0.11 -0.26 0.00 -0.04 0.00 0.00 63.50 63.32 3khx n PRO 101 Cb 0.42 -2.26 -0.17 0.00 -0.04 0.00 0.00 33.50 31.45 3khx n PRO 101 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3khx s VAL 102 N -2.13 0.95 -0.64 0.52 -7.23 -0.80 -4.92 120.40 106.15 3khx s VAL 102 Ca 0.70 -0.25 -0.24 0.00 -1.81 0.00 0.00 61.98 60.38 3khx s VAL 102 Cb -0.29 -0.99 0.05 0.00 0.56 0.00 0.00 36.38 35.71 3khx s VAL 102 CO 0.54 0.35 1.02 0.54 -0.31 0.00 0.00 175.10 177.24 3khx s VAL 103 N 1.74 4.22 0.60 1.32 0.11 -1.26 -1.28 120.40 125.85 3khx s VAL 103 Ca 0.05 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.01 3khx s VAL 103 Cb -0.13 -4.69 0.14 0.00 -1.53 0.00 0.00 36.38 30.18 3khx s VAL 103 CO -0.08 -1.42 0.63 0.41 -3.33 0.00 0.00 175.10 171.30 3khx n THR 104 N 6.11 0.00 0.26 5.04 -1.04 0.21 -4.97 114.28 119.89 3khx n THR 104 Ca -0.01 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.05 61.49 3khx n THR 104 Cb 0.47 -1.37 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 3khx n THR 104 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3khx h GLU 105 N 0.00 -0.60 -0.03 -2.82 4.39 -2.04 -3.37 114.58 110.11 3khx h GLU 105 Ca -0.22 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3khx h GLU 105 Cb 0.65 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3khx h GLU 105 CO 0.15 -0.38 0.00 -0.40 -1.16 0.00 0.00 179.01 177.22 3khx n ASP 106 N -5.34 2.44 -3.79 1.42 5.68 -1.26 -4.96 116.55 110.74 3khx n ASP 106 Ca -0.11 -2.87 -0.07 0.00 -0.50 0.00 0.00 54.79 51.24 3khx n ASP 106 Cb 0.27 -0.36 -0.02 0.00 -1.14 0.00 0.00 41.12 39.88 3khx n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3khx s ALA 107 N -2.50 -1.25 -0.07 2.12 0.00 -1.26 -1.11 121.76 117.69 3khx s ALA 107 Ca 0.27 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3khx s ALA 107 Cb 0.23 0.81 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3khx s ALA 107 CO 0.03 -1.04 -0.18 0.42 0.00 0.00 0.00 175.76 175.00 3khx s ILE 108 N -3.74 1.52 -0.12 0.00 1.09 -0.66 0.64 121.20 119.93 3khx s ILE 108 Ca 0.11 -0.73 -0.02 0.00 -1.10 0.00 0.00 60.65 58.92 3khx s ILE 108 Cb -0.05 -1.33 -0.03 0.00 -1.06 0.00 0.00 42.46 39.99 3khx s ILE 108 CO 0.07 0.44 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.66 3khx s ILE 109 N 0.35 3.81 0.00 2.92 -1.09 -0.40 -1.96 121.20 124.82 3khx s ILE 109 Ca -0.12 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 3khx s ILE 109 Cb -0.15 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 3khx s ILE 109 CO 0.05 0.54 0.00 0.00 -1.23 0.00 0.00 174.94 174.30 3khx n ALA 110 N 2.98 0.00 -2.15 9.38 0.00 0.84 -1.90 120.51 129.67 3khx n ALA 110 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 3khx n ALA 110 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3khx n ALA 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3khx s ARG 111 N -2.00 4.26 0.00 0.00 6.06 -0.65 -3.23 118.95 123.39 3khx s ARG 111 Ca 0.00 2.06 0.00 0.00 -2.50 0.00 0.00 55.73 55.29 3khx s ARG 111 Cb 0.00 -3.57 0.00 0.00 0.06 0.00 0.00 34.95 31.44 3khx s ARG 111 CO 0.00 -0.61 0.00 0.41 -2.50 0.00 0.00 175.30 172.60 3khx n GLY 112 N 3.73 0.75 0.31 8.12 0.00 -1.26 -4.92 105.19 111.93 3khx n GLY 112 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 3khx n GLY 112 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3khx h THR 113 N 0.00 1.08 0.12 2.61 1.35 -1.85 -0.10 112.91 116.12 3khx h THR 113 Ca 0.00 -0.34 -0.36 0.00 -0.55 0.00 0.00 66.41 65.16 3khx h THR 113 Cb 0.00 0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.42 3khx h THR 113 CO 0.00 0.18 -1.99 0.18 -0.25 0.00 0.00 175.52 173.64 3khx n LEU 114 N -4.61 2.63 -3.80 3.87 4.32 -1.26 -1.36 117.00 116.78 3khx n LEU 114 Ca 0.11 0.20 -0.29 0.00 -0.02 0.00 0.00 56.01 56.01 3khx n LEU 114 Cb 0.13 -1.11 -0.16 0.00 -1.62 0.00 0.00 43.42 40.67 3khx n LEU 114 CO 0.32 0.84 -0.37 -1.81 -1.22 0.00 0.00 177.39 175.15 3khx s ASP 115 N -7.02 3.53 -0.01 -1.43 -0.00 -1.23 -4.54 116.67 105.97 3khx s ASP 115 Ca -0.23 -1.17 0.01 0.00 -0.00 0.00 0.00 52.55 51.15 3khx s ASP 115 Cb 0.07 -0.86 0.01 0.00 -0.00 0.00 0.00 42.92 42.14 3khx s ASP 115 CO 0.76 -0.32 0.70 -0.67 -0.00 0.00 0.00 175.17 175.64 3khx n ASP 116 N 4.87 0.45 -0.21 0.27 2.03 -1.18 -4.13 116.55 118.64 3khx n ASP 116 Ca -0.08 -1.43 -0.07 0.00 0.52 0.00 0.00 54.79 53.73 3khx n ASP 116 Cb 0.45 -0.05 0.03 0.00 -0.72 0.00 0.00 41.12 40.83 3khx n ASP 116 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3khx h LYS 117 N 0.00 0.85 -0.11 -0.67 1.57 -1.21 -1.88 116.57 115.12 3khx h LYS 117 Ca 0.00 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3khx h LYS 117 Cb 0.98 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3khx h LYS 117 CO 0.00 0.67 -0.11 0.78 -0.57 0.00 0.00 179.45 180.22 3khx h GLY 118 N 0.82 -1.99 2.00 3.86 0.00 -0.89 -1.59 103.07 105.29 3khx h GLY 118 Ca 0.21 0.91 -0.04 0.00 0.00 0.00 0.00 47.33 48.42 3khx h GLY 118 CO -0.03 -0.70 -0.18 -2.55 0.00 0.00 0.00 176.54 173.08 3khx h PRO 119 N -0.05 0.00 0.19 4.80 0.11 -1.72 -2.53 132.00 132.80 3khx h PRO 119 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3khx h PRO 119 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3khx h PRO 119 CO -0.13 0.18 -0.09 1.15 -0.21 0.00 0.00 178.00 178.89 3khx h THR 120 N 0.00 0.84 -0.90 -1.15 2.02 -0.76 0.47 112.91 113.43 3khx h THR 120 Ca -0.00 -0.14 0.11 0.00 0.77 0.00 0.00 66.41 67.15 3khx h THR 120 Cb 0.39 0.93 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 3khx h THR 120 CO 0.02 0.03 0.54 0.40 0.37 0.00 0.00 175.52 176.88 3khx h ILE 121 N -0.32 0.90 -0.13 3.11 1.08 -1.09 0.34 117.51 121.41 3khx h ILE 121 Ca -0.03 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3khx h ILE 121 Cb 0.25 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.95 3khx h ILE 121 CO 0.04 0.16 0.06 0.00 -0.69 0.00 0.00 178.15 177.72 3khx h ALA 122 N 1.50 0.16 -0.24 1.87 0.00 -0.97 0.13 119.26 121.71 3khx h ALA 122 Ca 0.45 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3khx h ALA 122 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3khx h ALA 122 CO -0.26 -0.27 0.15 0.00 0.00 0.00 0.00 179.25 178.86 3khx h ALA 123 N 0.93 0.30 -0.33 0.00 0.00 -0.62 -2.18 119.26 117.36 3khx h ALA 123 Ca 0.04 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3khx h ALA 123 Cb 0.12 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3khx h ALA 123 CO -0.01 -0.20 -0.18 -0.92 0.00 0.00 0.00 179.25 177.94 3khx h TYR 124 N 0.30 -0.44 -0.37 0.00 5.03 -0.47 -2.52 116.97 118.49 3khx h TYR 124 Ca 0.09 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.38 3khx h TYR 124 Cb 0.00 0.25 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 3khx h TYR 124 CO -0.05 -0.25 -0.01 1.88 -1.32 0.00 0.00 178.16 178.40 3khx h TYR 125 N -0.13 0.61 -0.87 -3.82 -1.99 -0.53 -1.13 116.97 109.11 3khx h TYR 125 Ca 0.17 -0.07 0.12 0.00 2.00 0.00 0.00 58.73 60.95 3khx h TYR 125 Cb 0.39 -0.17 -0.08 0.00 2.00 0.00 0.00 36.73 38.86 3khx h TYR 125 CO -0.38 0.59 0.49 0.00 -0.00 0.00 0.00 178.16 178.86 3khx h ALA 126 N 1.44 1.29 -0.12 3.88 0.00 -0.97 0.76 119.26 125.54 3khx h ALA 126 Ca 0.12 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3khx h ALA 126 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3khx h ALA 126 CO 0.01 0.05 -0.37 0.82 0.00 0.00 0.00 179.25 179.77 3khx h ILE 127 N 0.77 1.37 -0.95 0.00 2.04 -1.18 -2.38 117.51 117.18 3khx h ILE 127 Ca 0.44 -1.67 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3khx h ILE 127 Cb 0.51 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 3khx h ILE 127 CO -0.30 0.50 0.59 0.11 0.00 0.00 0.00 178.15 179.06 3khx h LYS 128 N 0.06 1.27 -0.20 2.37 1.57 -0.66 0.31 116.57 121.29 3khx h LYS 128 Ca -0.01 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3khx h LYS 128 Cb 0.99 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3khx h LYS 128 CO 0.08 0.87 -0.02 0.82 -0.57 0.00 0.00 179.45 180.63 3khx h ILE 129 N 1.30 1.27 -0.12 1.86 2.04 0.56 0.24 117.51 124.65 3khx h ILE 129 Ca 0.34 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 3khx h ILE 129 Cb -0.09 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3khx h ILE 129 CO -0.07 0.29 -0.19 -0.07 0.00 0.00 0.00 178.15 178.10 3khx h LEU 130 N 0.11 0.19 -0.51 1.44 3.38 -1.26 -1.60 115.31 117.07 3khx h LEU 130 Ca 0.05 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3khx h LEU 130 Cb 0.44 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3khx h LEU 130 CO 0.01 0.41 -0.22 -0.08 0.09 0.00 0.00 178.44 178.65 3khx h GLU 131 N 0.19 0.98 -0.31 1.13 4.57 -0.62 -2.83 114.58 117.69 3khx h GLU 131 Ca 0.04 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 57.75 3khx h GLU 131 Cb 0.46 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3khx h GLU 131 CO 0.03 1.09 -0.01 -0.44 -1.18 0.00 0.00 179.01 178.50 3khx h ASP 132 N 0.84 0.45 0.00 1.04 5.19 -0.20 -0.58 116.42 123.17 3khx h ASP 132 Ca 0.11 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3khx h ASP 132 Cb 0.80 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.19 3khx h ASP 132 CO 0.07 0.53 0.00 1.15 -3.12 0.00 0.00 179.24 177.87 3khx n MET 133 N -4.28 0.88 -4.25 3.56 0.00 -0.67 -4.85 117.12 107.50 3khx n MET 133 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.34 3khx n MET 133 Cb 0.24 -1.07 -0.04 0.00 0.00 0.00 0.00 33.22 32.36 3khx n MET 133 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3khx n ASN 134 N -0.42 -2.90 -4.40 3.17 4.05 -0.22 -4.88 115.26 109.67 3khx n ASN 134 Ca 0.00 -1.03 -0.30 0.00 0.45 0.00 0.00 54.58 53.71 3khx n ASN 134 Cb 0.03 -2.41 0.23 0.00 1.23 0.00 0.00 39.78 38.87 3khx n ASN 134 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 3khx n VAL 135 N -4.24 0.00 -3.31 3.44 0.24 -1.17 -4.96 118.33 108.34 3khx n VAL 135 Ca 0.09 -0.41 -0.46 0.00 -2.04 0.00 0.00 64.34 61.52 3khx n VAL 135 Cb 0.48 -0.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 3khx n VAL 135 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3khx s ASP 136 N -2.20 6.34 0.26 -1.34 2.15 -1.26 -5.04 116.67 115.57 3khx s ASP 136 Ca 0.64 -2.01 -0.30 0.00 0.43 0.00 0.00 52.55 51.32 3khx s ASP 136 Cb -0.21 -2.21 -0.09 0.00 -0.30 0.00 0.00 42.92 40.10 3khx s ASP 136 CO 0.66 -0.80 1.24 0.26 -0.17 0.00 0.00 175.17 176.36 3khx s TRP 137 N 1.27 3.29 -0.55 -5.34 0.52 -1.26 -4.52 118.94 112.36 3khx s TRP 137 Ca 0.07 1.42 0.09 0.00 0.02 0.00 0.00 56.10 57.70 3khx s TRP 137 Cb -0.25 -3.53 -0.06 0.00 -1.15 0.00 0.00 33.47 28.49 3khx s TRP 137 CO -0.00 -1.46 0.44 0.36 0.02 0.00 0.00 176.95 176.31 3khx n LYS 138 N 1.71 3.48 -4.04 4.98 0.00 0.55 -4.57 118.16 120.28 3khx n LYS 138 Ca 0.02 -0.20 -0.08 0.00 -0.00 0.00 0.00 58.31 58.05 3khx n LYS 138 Cb 0.43 -0.95 -0.10 0.00 -0.00 0.00 0.00 35.03 34.41 3khx n LYS 138 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3khx s LYS 139 N -1.61 0.48 0.50 -1.58 1.02 0.10 -4.44 119.74 114.20 3khx s LYS 139 Ca 0.05 -0.94 -0.18 0.00 0.02 0.00 0.00 55.97 54.92 3khx s LYS 139 Cb 0.07 0.16 -0.08 0.00 -0.52 0.00 0.00 37.83 37.45 3khx s LYS 139 CO 0.30 -0.08 0.98 1.03 -0.92 0.00 0.00 175.35 176.67 3khx s ARG 140 N -2.79 3.97 -0.06 1.68 0.52 -0.41 -1.23 118.95 120.64 3khx s ARG 140 Ca -0.03 1.02 0.06 0.00 -0.52 0.00 0.00 55.73 56.25 3khx s ARG 140 Cb -0.00 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.32 3khx s ARG 140 CO -0.06 -0.25 -0.24 0.42 0.02 0.00 0.00 175.30 175.19 3khx s ILE 141 N -2.49 1.97 -0.26 1.52 1.01 0.06 -0.90 121.20 122.11 3khx s ILE 141 Ca 0.60 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 3khx s ILE 141 Cb -0.10 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.73 3khx s ILE 141 CO 0.27 0.55 -0.06 -1.00 0.00 0.00 0.00 174.94 174.70 3khx s HIS 142 N -0.14 3.11 -0.55 3.97 3.76 0.16 -1.96 115.29 123.64 3khx s HIS 142 Ca -0.04 -1.68 -0.23 0.00 -0.15 0.00 0.00 55.06 52.95 3khx s HIS 142 Cb -0.13 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.55 3khx s HIS 142 CO 0.03 -0.76 0.91 1.41 -0.85 0.00 0.00 174.74 175.48 3khx s MET 143 N 1.29 3.29 -0.28 1.40 1.75 -0.56 -1.28 119.30 124.92 3khx s MET 143 Ca -0.01 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 53.95 3khx s MET 143 Cb -0.17 -4.07 -0.05 0.00 2.84 0.00 0.00 34.83 33.38 3khx s MET 143 CO -0.04 -1.48 0.17 0.42 -0.65 0.00 0.00 175.02 173.45 3khx s ILE 144 N 3.80 5.18 -0.15 10.11 1.01 -0.12 -0.91 121.20 140.13 3khx s ILE 144 Ca 0.28 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 3khx s ILE 144 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 3khx s ILE 144 CO 0.18 0.26 -0.14 -0.63 0.00 0.00 0.00 174.94 174.61 3khx s ILE 145 N 1.74 2.84 0.32 2.92 1.09 0.71 -0.27 121.20 130.55 3khx s ILE 145 Ca 0.07 -0.71 0.09 0.00 -1.10 0.00 0.00 60.65 59.00 3khx s ILE 145 Cb -0.16 -2.21 -0.05 0.00 -1.06 0.00 0.00 42.46 38.98 3khx s ILE 145 CO 0.10 0.51 -0.02 -0.83 -0.10 0.00 0.00 174.94 174.60 3khx s GLY 146 N 0.73 1.95 0.00 6.18 0.00 0.19 -1.67 107.32 114.70 3khx s GLY 146 Ca -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.78 3khx s GLY 146 CO 0.01 -1.87 0.32 -1.30 0.00 0.00 0.00 173.10 170.26 3khx n THR 147 N -0.90 0.10 -3.70 0.90 -2.24 -0.92 -1.68 114.28 105.83 3khx n THR 147 Ca -0.05 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.19 3khx n THR 147 Cb 0.61 1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 70.15 3khx n THR 147 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3khx s ASP 148 N -0.10 5.40 0.45 3.42 -1.08 -1.26 -4.69 116.67 118.81 3khx s ASP 148 Ca 0.00 -2.08 0.20 0.00 -0.52 0.00 0.00 52.55 50.16 3khx s ASP 148 Cb 0.00 -1.89 1.12 0.00 -1.46 0.00 0.00 42.92 40.69 3khx s ASP 148 CO 0.00 -0.57 1.58 1.05 0.52 0.00 0.00 175.17 177.74 3khx h GLU 149 N 8.07 0.00 0.00 4.34 4.11 -1.97 -0.07 114.58 129.06 3khx h GLU 149 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 3khx h GLU 149 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3khx h GLU 149 CO 0.75 0.00 -0.56 1.49 0.07 0.00 0.00 179.01 180.75 3khx h GLU 150 N 0.00 0.00 -7.10 1.06 4.81 -2.04 -3.46 114.58 107.85 3khx h GLU 150 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 3khx h GLU 150 Cb 0.53 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.94 3khx h GLU 150 CO 0.00 0.00 0.25 0.45 -0.73 0.00 0.00 179.01 178.98 3khx s SER 151 N -5.41 6.36 -0.11 1.04 0.15 -0.04 -5.01 113.70 110.67 3khx s SER 151 Ca 0.04 1.23 0.14 0.00 0.70 0.00 0.00 55.95 58.06 3khx s SER 151 Cb 0.09 -2.38 0.27 0.00 -1.71 0.00 0.00 66.02 62.30 3khx s SER 151 CO 0.73 -0.64 1.14 0.47 1.20 0.00 0.00 173.24 176.14 3khx n ASP 152 N -2.12 1.66 -1.74 5.45 8.00 -1.26 -4.96 116.55 121.57 3khx n ASP 152 Ca 0.04 -2.98 -0.20 0.00 0.71 0.00 0.00 54.79 52.36 3khx n ASP 152 Cb 0.54 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 3khx n ASP 152 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3khx n TRP 153 N -0.95 -0.30 -2.04 1.24 5.03 -1.26 -4.36 117.44 114.81 3khx n TRP 153 Ca 0.13 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.33 3khx n TRP 153 Cb 0.70 -3.46 0.01 0.00 -1.03 0.00 0.00 31.31 27.53 3khx n TRP 153 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 3khx s LYS 154 N -4.09 3.28 0.54 -0.99 1.02 -1.25 -0.02 119.74 118.22 3khx s LYS 154 Ca 0.00 1.24 0.36 0.00 0.02 0.00 0.00 55.97 57.59 3khx s LYS 154 Cb 0.00 -2.02 1.88 0.00 -0.52 0.00 0.00 37.83 37.17 3khx s LYS 154 CO 0.00 -0.85 2.10 0.00 -0.92 0.00 0.00 175.35 175.68 3khx n THR 156 N -2.80 0.00 -3.39 0.00 5.66 -1.26 -3.72 114.28 108.76 3khx n THR 156 Ca -0.02 -0.17 -0.19 0.00 -3.05 0.00 0.00 64.05 60.62 3khx n THR 156 Cb 0.10 0.22 -0.01 0.00 -1.55 0.00 0.00 70.33 69.08 3khx n THR 156 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3khx s ASP 157 N -2.05 5.43 0.10 1.09 1.01 0.02 -4.95 116.67 117.32 3khx s ASP 157 Ca 0.39 -0.51 -0.29 0.00 0.71 0.00 0.00 52.55 52.85 3khx s ASP 157 Cb 0.21 -0.76 -0.11 0.00 1.01 0.00 0.00 42.92 43.27 3khx s ASP 157 CO 0.36 -0.61 1.47 -0.09 0.21 0.00 0.00 175.17 176.51 3khx h ARG 158 N 0.90 -0.48 -0.92 8.23 9.65 -1.89 -2.79 114.38 127.08 3khx h ARG 158 Ca -0.42 0.03 0.22 0.00 -1.10 0.00 0.00 59.98 58.71 3khx h ARG 158 Cb 1.27 0.11 -0.12 0.00 -1.39 0.00 0.00 29.97 29.84 3khx h ARG 158 CO 0.52 -0.32 0.45 -0.92 2.80 0.00 0.00 179.97 182.50 3khx h TYR 159 N -0.50 0.75 -0.01 2.20 3.20 -1.93 -1.07 116.97 119.61 3khx h TYR 159 Ca 0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3khx h TYR 159 Cb 0.58 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3khx h TYR 159 CO -0.57 -0.00 -0.22 1.19 -1.64 0.00 0.00 178.16 176.92 3khx n PHE 160 N -4.99 0.00 0.26 -3.82 3.72 -1.08 -1.40 117.46 110.15 3khx n PHE 160 Ca 0.23 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.72 3khx n PHE 160 Cb 0.66 -0.07 0.67 0.00 -0.94 0.00 0.00 39.48 39.80 3khx n PHE 160 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3khx h LYS 161 N 1.87 0.00 0.00 -1.08 6.56 -0.94 -3.37 116.57 119.61 3khx h LYS 161 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3khx h LYS 161 Cb 0.58 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 3khx h LYS 161 CO 0.00 0.05 -0.55 0.25 -2.06 0.00 0.00 179.45 177.14 3khx n THR 162 N -4.29 0.00 -3.18 -0.16 -2.24 -1.16 -5.11 114.28 98.14 3khx n THR 162 Ca -0.03 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.51 3khx n THR 162 Cb 0.14 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3khx n THR 162 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3khx s GLU 163 N -1.28 3.38 0.47 -0.78 0.41 -0.49 -5.04 118.70 115.37 3khx s GLU 163 Ca 0.00 -0.31 -0.24 0.00 -0.41 0.00 0.00 54.97 54.00 3khx s GLU 163 Cb 0.00 -2.60 -0.07 0.00 -1.78 0.00 0.00 34.13 29.68 3khx s GLU 163 CO 0.00 -0.01 1.37 -2.00 -0.49 0.00 0.00 175.26 174.13 3khx s GLU 164 N -4.44 3.59 -0.23 1.61 2.12 -1.26 -4.78 118.70 115.32 3khx s GLU 164 Ca 0.43 2.28 -0.18 0.00 0.36 0.00 0.00 54.97 57.86 3khx s GLU 164 Cb -0.10 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 3khx s GLU 164 CO 0.38 -0.84 0.50 1.41 -0.54 0.00 0.00 175.26 176.16 3khx s MET 165 N -2.55 4.13 0.68 4.30 -2.45 -1.26 -5.04 119.30 117.11 3khx s MET 165 Ca 0.63 0.34 -0.17 0.00 -1.25 0.00 0.00 55.69 55.25 3khx s MET 165 Cb -0.41 -3.60 0.01 0.00 1.25 0.00 0.00 34.83 32.08 3khx s MET 165 CO 0.51 -0.23 1.25 -2.14 1.05 0.00 0.00 175.02 175.46 3khx s PRO 166 N 1.91 2.39 -0.02 4.11 0.02 -1.26 -4.80 135.00 137.35 3khx s PRO 166 Ca 0.22 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 62.95 3khx s PRO 166 Cb -0.15 -1.84 -0.23 0.00 0.02 0.00 0.00 34.50 32.30 3khx s PRO 166 CO 0.09 -1.68 1.09 1.15 -0.33 0.00 0.00 177.00 177.32 3khx h THR 167 N 0.21 1.47 -4.26 0.99 2.02 -0.91 -1.90 112.91 110.52 3khx h THR 167 Ca -0.49 -1.95 -0.17 0.00 0.77 0.00 0.00 66.41 64.57 3khx h THR 167 Cb 1.32 2.60 -0.14 0.00 -1.74 0.00 0.00 68.15 70.18 3khx h THR 167 CO 0.52 0.55 -0.52 -1.48 0.37 0.00 0.00 175.52 174.96 3khx s LEU 168 N -8.48 1.32 0.00 2.58 2.34 -1.19 -4.17 118.68 111.08 3khx s LEU 168 Ca -0.14 -1.14 0.00 0.00 0.06 0.00 0.00 54.13 52.91 3khx s LEU 168 Cb 0.03 0.66 0.00 0.00 -0.56 0.00 0.00 46.19 46.31 3khx s LEU 168 CO 0.78 -0.83 0.00 0.61 -1.06 0.00 0.00 176.35 175.86 3khx n GLY 169 N -0.18 -2.15 2.99 -3.48 0.00 -1.26 -0.95 105.19 100.16 3khx n GLY 169 Ca -0.04 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 3khx n GLY 169 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3khx s PHE 170 N -2.03 1.49 -0.44 1.61 5.36 0.49 -4.65 117.98 119.81 3khx s PHE 170 Ca 0.00 -0.62 0.07 0.00 -0.96 0.00 0.00 56.93 55.42 3khx s PHE 170 Cb 0.00 -1.13 0.24 0.00 -0.34 0.00 0.00 43.02 41.78 3khx s PHE 170 CO 0.00 -0.36 0.65 0.00 -1.46 0.00 0.00 175.22 174.06 3khx n ALA 171 N 4.16 0.79 -0.02 11.12 0.00 -1.26 -1.40 120.51 133.90 3khx n ALA 171 Ca -0.20 -2.49 0.21 0.00 0.00 0.00 0.00 53.44 50.96 3khx n ALA 171 Cb 0.51 -1.04 0.70 0.00 0.00 0.00 0.00 19.45 19.62 3khx n ALA 171 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3khx h PRO 172 N 4.20 0.00 -0.01 0.00 0.13 -1.97 -2.48 132.00 131.87 3khx h PRO 172 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3khx h PRO 172 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3khx h PRO 172 CO 0.38 0.00 -0.53 -0.25 -0.23 0.00 0.00 178.00 177.37 3khx n ASP 173 N -4.33 1.35 -4.55 1.44 8.00 -1.26 -4.89 116.55 112.31 3khx n ASP 173 Ca 0.11 -1.08 -0.34 0.00 0.71 0.00 0.00 54.79 54.19 3khx n ASP 173 Cb 0.65 0.47 -0.12 0.00 -0.02 0.00 0.00 41.12 42.10 3khx n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3khx s ALA 174 N -2.66 3.01 0.14 2.24 0.00 -0.94 -5.00 121.76 118.55 3khx s ALA 174 Ca 0.17 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.35 3khx s ALA 174 Cb 0.18 -1.40 -0.13 0.00 0.00 0.00 0.00 23.12 21.77 3khx s ALA 174 CO 0.64 0.40 1.32 1.49 0.00 0.00 0.00 175.76 179.61 3khx h GLU 175 N 5.94 0.03 -2.18 0.00 4.81 -1.87 -3.37 114.58 117.94 3khx h GLU 175 Ca -0.40 -0.04 -0.57 0.00 -0.13 0.00 0.00 59.36 58.22 3khx h GLU 175 Cb 1.19 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 30.17 3khx h GLU 175 CO 0.57 0.96 -0.78 1.19 -0.73 0.00 0.00 179.01 180.23 3khx n PHE 176 N -3.44 2.75 -1.72 0.92 3.72 -1.26 -4.85 117.46 113.59 3khx n PHE 176 Ca -0.01 -3.96 -0.34 0.00 -0.05 0.00 0.00 57.45 53.09 3khx n PHE 176 Cb 0.90 -0.48 0.06 0.00 -0.94 0.00 0.00 39.48 39.01 3khx n PHE 176 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3khx s PRO 177 N -2.72 2.64 -1.27 -1.08 0.04 -1.26 -3.85 135.00 127.49 3khx s PRO 177 Ca 0.43 1.57 -0.12 0.00 0.04 0.00 0.00 61.00 62.92 3khx s PRO 177 Cb 0.24 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 33.01 3khx s PRO 177 CO -0.09 -1.41 1.73 0.00 0.04 0.00 0.00 177.00 177.28 3khx s ILE 179 N 1.45 0.88 0.49 0.00 1.01 -1.26 -4.12 121.20 119.66 3khx s ILE 179 Ca 0.43 -0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.57 3khx s ILE 179 Cb 0.05 -0.86 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 3khx s ILE 179 CO 0.00 0.31 0.82 1.41 0.00 0.00 0.00 174.94 177.48 3khx n HIS 180 N 4.16 0.42 0.00 3.97 8.25 -0.72 -4.00 115.22 127.31 3khx n HIS 180 Ca -0.21 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3khx n HIS 180 Cb 0.51 -2.11 0.00 0.00 1.12 0.00 0.00 29.99 29.51 3khx n HIS 180 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3khx n GLY 181 N 1.44 0.75 3.77 -1.41 0.00 -1.24 -4.71 105.19 103.78 3khx n GLY 181 Ca 0.11 0.38 -0.39 0.00 0.00 0.00 0.00 46.02 46.12 3khx n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khx s GLU 182 N 1.72 4.36 0.69 1.61 0.41 0.18 -4.93 118.70 122.74 3khx s GLU 182 Ca 0.00 0.86 -0.15 0.00 -0.41 0.00 0.00 54.97 55.27 3khx s GLU 182 Cb 0.00 -3.31 0.02 0.00 -1.78 0.00 0.00 34.13 29.06 3khx s GLU 182 CO 0.00 0.45 1.15 0.21 -0.49 0.00 0.00 175.26 176.58 3khx s LYS 183 N -0.53 2.52 0.33 1.61 2.20 -1.26 -1.52 119.74 123.09 3khx s LYS 183 Ca 0.33 1.54 -0.27 0.00 -0.36 0.00 0.00 55.97 57.21 3khx s LYS 183 Cb -0.20 -1.90 -0.09 0.00 -1.51 0.00 0.00 37.83 34.13 3khx s LYS 183 CO 0.20 -1.49 1.08 0.20 -0.36 0.00 0.00 175.35 174.97 3khx s GLY 184 N -2.35 2.94 -0.06 5.54 0.00 0.89 -4.48 107.32 109.80 3khx s GLY 184 Ca 0.70 0.81 -0.02 0.00 0.00 0.00 0.00 44.72 46.21 3khx s GLY 184 CO 0.43 1.34 0.11 -0.42 0.00 0.00 0.00 173.10 174.56 3khx s ILE 185 N -1.36 -0.12 0.21 0.90 1.01 -0.56 0.13 121.20 121.41 3khx s ILE 185 Ca 0.50 0.28 0.01 0.00 0.00 0.00 0.00 60.65 61.44 3khx s ILE 185 Cb -0.28 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 3khx s ILE 185 CO 0.35 0.11 0.06 0.42 0.00 0.00 0.00 174.94 175.88 3khx s THR 186 N 1.61 0.52 0.00 2.92 -4.23 -0.51 -1.44 115.64 114.51 3khx s THR 186 Ca -0.04 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.39 3khx s THR 186 Cb -0.12 -2.35 0.01 0.00 1.34 0.00 0.00 72.50 71.38 3khx s THR 186 CO -0.05 -0.24 0.20 0.42 -0.54 0.00 0.00 174.62 174.41 3khx s THR 187 N -3.78 0.08 0.06 3.99 -4.23 -1.09 -2.53 115.64 108.14 3khx s THR 187 Ca 0.31 -0.65 -0.27 0.00 -1.18 0.00 0.00 61.69 59.90 3khx s THR 187 Cb 0.07 -0.55 0.09 0.00 1.34 0.00 0.00 72.50 73.45 3khx s THR 187 CO 0.08 -0.36 0.81 0.72 -0.54 0.00 0.00 174.62 175.34 3khx s PHE 188 N -1.52 -0.38 0.11 3.99 -0.71 -0.81 -0.57 117.98 118.09 3khx s PHE 188 Ca -0.13 0.20 0.07 0.00 -1.04 0.00 0.00 56.93 56.03 3khx s PHE 188 Cb -0.06 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 3khx s PHE 188 CO 0.02 -0.66 -0.06 -0.51 -1.34 0.00 0.00 175.22 172.67 3khx s ASP 189 N -2.60 4.61 -0.21 1.98 1.01 -0.76 -0.84 116.67 119.87 3khx s ASP 189 Ca 0.05 -0.33 -0.04 0.00 0.71 0.00 0.00 52.55 52.93 3khx s ASP 189 Cb -0.01 -0.96 -0.01 0.00 1.01 0.00 0.00 42.92 42.95 3khx s ASP 189 CO -0.09 0.16 -0.03 -0.76 0.21 0.00 0.00 175.17 174.67 3khx s LEU 190 N -2.34 3.02 -0.03 1.23 1.43 0.41 -1.53 118.68 120.86 3khx s LEU 190 Ca 0.23 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3khx s LEU 190 Cb -0.11 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3khx s LEU 190 CO 0.16 0.01 -0.24 -0.69 0.23 0.00 0.00 176.35 175.81 3khx s VAL 191 N 1.31 1.94 0.03 -1.59 1.01 0.23 -1.42 120.40 121.90 3khx s VAL 191 Ca 0.04 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 3khx s VAL 191 Cb -0.14 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 3khx s VAL 191 CO -0.01 0.55 0.52 -1.58 0.00 0.00 0.00 175.10 174.57 3khx s GLN 192 N -0.43 4.13 0.43 2.72 0.74 -0.78 0.45 119.66 126.91 3khx s GLN 192 Ca 0.05 0.62 -0.26 0.00 0.05 0.00 0.00 55.36 55.82 3khx s GLN 192 Cb -0.11 -3.25 -0.09 0.00 1.10 0.00 0.00 33.01 30.66 3khx s GLN 192 CO 0.00 0.60 1.40 -0.80 -0.55 0.00 0.00 175.29 175.95 3khx s ASN 193 N -0.91 6.04 0.00 6.67 0.01 0.16 -4.56 114.94 122.36 3khx s ASN 193 Ca 0.27 2.87 0.04 0.00 -0.71 0.00 0.00 52.86 55.33 3khx s ASN 193 Cb -0.18 -2.65 0.19 0.00 0.41 0.00 0.00 41.25 39.01 3khx s ASN 193 CO 0.17 -1.06 1.04 1.17 -1.51 0.00 0.00 177.10 176.91 3khx n LYS 194 N -0.03 0.03 0.00 -0.60 4.81 -1.26 -4.80 118.16 116.31 3khx n LYS 194 Ca 0.04 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 3khx n LYS 194 Cb 0.42 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3khx n LYS 194 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3khx n LEU 195 N -1.39 0.00 0.00 3.14 -0.00 -1.26 -4.90 117.00 112.59 3khx n LEU 195 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 3khx n LEU 195 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.46 3khx n LEU 195 CO 0.03 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.75 3khx n ASP 198 N 0.00 0.00 -3.56 1.45 2.03 -1.26 -5.05 116.55 110.16 3khx n ASP 198 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 3khx n ASP 198 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 3khx n ASP 198 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3khx s GLN 199 N 3.24 0.82 0.62 -0.67 -2.07 -1.26 -5.12 119.66 115.22 3khx s GLN 199 Ca 0.00 0.28 -0.12 0.00 -1.82 0.00 0.00 55.36 53.71 3khx s GLN 199 Cb 0.00 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 3khx s GLN 199 CO 0.00 -0.24 1.03 0.16 -1.32 0.00 0.00 175.29 174.92 3khx s ASP 200 N -0.96 6.16 0.13 12.60 1.47 -1.26 -4.96 116.67 129.86 3khx s ASP 200 Ca -0.06 1.46 -0.34 0.00 1.18 0.00 0.00 52.55 54.80 3khx s ASP 200 Cb -0.01 -2.48 -0.14 0.00 -0.34 0.00 0.00 42.92 39.96 3khx s ASP 200 CO 0.05 -0.91 1.59 1.21 0.68 0.00 0.00 175.17 177.78 3khx n GLU 201 N -2.67 2.08 -3.56 2.11 2.13 -1.26 -4.95 120.64 114.53 3khx n GLU 201 Ca 0.06 0.75 -0.29 0.00 0.66 0.00 0.00 57.16 58.35 3khx n GLU 201 Cb 0.54 -2.52 -0.04 0.00 0.27 0.00 0.00 31.44 29.69 3khx n GLU 201 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3khx s PRO 202 N 1.14 3.59 0.30 5.31 0.04 -1.26 -4.98 135.00 139.14 3khx s PRO 202 Ca 0.80 -0.14 0.05 0.00 0.04 0.00 0.00 61.00 61.75 3khx s PRO 202 Cb -0.70 -2.77 0.73 0.00 0.04 0.00 0.00 34.50 31.80 3khx s PRO 202 CO 0.40 0.35 1.76 -0.44 0.04 0.00 0.00 177.00 179.11 3khx h ASP 203 N 2.11 0.71 -3.38 6.66 3.32 -1.92 -3.41 116.42 120.51 3khx h ASP 203 Ca -0.47 0.11 -0.46 0.00 0.02 0.00 0.00 57.03 56.22 3khx h ASP 203 Cb 1.18 -0.01 -0.35 0.00 0.22 0.00 0.00 39.33 40.37 3khx h ASP 203 CO 0.68 0.23 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.33 3khx s TYR 204 N -5.86 1.05 -0.18 4.55 2.02 -0.71 -0.43 117.35 117.79 3khx s TYR 204 Ca -0.11 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.19 3khx s TYR 204 Cb 0.25 -0.88 -0.01 0.00 -0.40 0.00 0.00 41.96 40.92 3khx s TYR 204 CO 0.80 -0.29 -0.10 -2.00 -1.57 0.00 0.00 175.55 172.39 3khx s GLU 205 N 1.11 3.31 -0.38 -0.62 2.12 -0.22 -2.05 118.70 121.98 3khx s GLU 205 Ca -0.07 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.28 3khx s GLU 205 Cb -0.14 -2.79 0.01 0.00 0.26 0.00 0.00 34.13 31.47 3khx s GLU 205 CO -0.01 -0.04 1.36 -1.17 -0.54 0.00 0.00 175.26 174.86 3khx s LEU 206 N 1.01 3.68 -0.12 2.70 2.96 -1.26 -1.18 118.68 126.47 3khx s LEU 206 Ca -0.01 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3khx s LEU 206 Cb -0.15 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.94 3khx s LEU 206 CO -0.01 -1.31 0.13 0.40 -1.32 0.00 0.00 176.35 174.24 3khx h ILE 207 N 6.29 0.37 -4.10 6.68 2.04 -1.66 -3.39 117.51 123.74 3khx h ILE 207 Ca -0.27 -1.29 -0.12 0.00 1.00 0.00 0.00 64.86 64.18 3khx h ILE 207 Cb 1.10 0.72 -0.16 0.00 -0.74 0.00 0.00 36.82 37.74 3khx h ILE 207 CO 1.07 0.13 -0.61 0.42 0.00 0.00 0.00 178.15 179.16 3khx s THR 208 N -1.78 0.19 -0.07 -0.27 -4.23 -1.23 -1.72 115.64 106.54 3khx s THR 208 Ca -0.06 -1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 3khx s THR 208 Cb -0.00 -1.31 0.03 0.00 1.34 0.00 0.00 72.50 72.56 3khx s THR 208 CO 0.17 -0.86 0.16 0.12 -0.54 0.00 0.00 174.62 173.68 3khx s PHE 209 N -3.55 -0.19 -0.08 3.99 5.36 0.14 -1.90 117.98 121.75 3khx s PHE 209 Ca 0.03 0.50 -0.03 0.00 -0.96 0.00 0.00 56.93 56.47 3khx s PHE 209 Cb 0.05 -0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.77 3khx s PHE 209 CO -0.09 -0.14 0.17 0.15 -1.46 0.00 0.00 175.22 173.85 3khx s LYS 210 N 0.70 0.10 -0.18 10.12 -0.14 -0.63 -1.90 119.74 127.81 3khx s LYS 210 Ca -0.05 0.45 -0.08 0.00 -1.36 0.00 0.00 55.97 54.93 3khx s LYS 210 Cb -0.07 -0.19 0.07 0.00 -1.68 0.00 0.00 37.83 35.97 3khx s LYS 210 CO -0.04 -0.20 0.40 0.45 -0.76 0.00 0.00 175.35 175.20 3khx s SER 211 N 1.50 -0.33 0.00 2.83 0.15 -0.42 -1.22 113.70 116.21 3khx s SER 211 Ca -0.06 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.51 3khx s SER 211 Cb -0.12 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 3khx s SER 211 CO -0.06 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.77 3khx n GLY 212 N 4.87 -1.01 0.00 9.45 0.00 -1.25 -0.99 105.19 116.26 3khx n GLY 212 Ca -0.15 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.56 3khx n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3khx n GLU 213 N 0.16 2.68 -4.72 1.61 -0.58 -1.23 -4.49 120.64 114.07 3khx n GLU 213 Ca 0.00 -0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.49 3khx n GLU 213 Cb 0.00 -0.88 -0.15 0.00 -0.57 0.00 0.00 31.44 29.84 3khx n GLU 213 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3khx s ARG 214 N -1.79 1.29 0.46 3.49 0.52 -1.23 -4.97 118.95 116.72 3khx s ARG 214 Ca -0.00 -0.64 0.12 0.00 -0.52 0.00 0.00 55.73 54.69 3khx s ARG 214 Cb 0.02 -1.27 1.05 0.00 0.52 0.00 0.00 34.95 35.27 3khx s ARG 214 CO 0.11 0.34 2.07 1.88 0.02 0.00 0.00 175.30 179.73 3khx h TYR 215 N 5.56 0.19 -0.61 -0.53 0.05 -1.90 -3.17 116.97 116.56 3khx h TYR 215 Ca -0.37 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.41 3khx h TYR 215 Cb 1.16 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.83 3khx h TYR 215 CO 0.42 0.17 0.00 0.27 -1.05 0.00 0.00 178.16 177.97 3khx n ASN 216 N -4.46 3.54 -4.11 3.88 6.94 -1.26 -4.08 115.26 115.71 3khx n ASN 216 Ca -0.01 -2.10 -0.17 0.00 -0.02 0.00 0.00 54.58 52.28 3khx n ASN 216 Cb 0.12 -0.45 -0.12 0.00 -2.36 0.00 0.00 39.78 36.97 3khx n ASN 216 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3khx s MET 217 N -1.33 0.73 0.07 -3.83 -1.94 -1.20 0.16 119.30 111.96 3khx s MET 217 Ca 0.42 -0.75 -0.31 0.00 -1.71 0.00 0.00 55.69 53.34 3khx s MET 217 Cb 0.23 -0.67 -0.07 0.00 2.01 0.00 0.00 34.83 36.34 3khx s MET 217 CO 0.26 0.15 1.34 0.08 -0.01 0.00 0.00 175.02 176.85 3khx s VAL 218 N -1.04 3.62 0.16 -6.03 1.01 -0.59 -4.37 120.40 113.15 3khx s VAL 218 Ca -0.03 1.12 -0.31 0.00 0.00 0.00 0.00 61.98 62.76 3khx s VAL 218 Cb -0.08 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 3khx s VAL 218 CO 0.01 0.06 1.59 -2.84 0.00 0.00 0.00 175.10 173.92 3khx s PRO 219 N 1.47 4.21 0.00 2.72 0.02 -1.26 -4.26 135.00 137.90 3khx s PRO 219 Ca 0.63 2.38 0.15 0.00 0.02 0.00 0.00 61.00 64.18 3khx s PRO 219 Cb -0.33 -3.20 0.32 0.00 0.02 0.00 0.00 34.50 31.30 3khx s PRO 219 CO 0.29 -0.63 1.23 -0.40 -0.33 0.00 0.00 177.00 177.15 3khx n ASP 220 N 4.16 2.94 -3.89 2.53 5.75 -1.26 -1.61 116.55 125.17 3khx n ASP 220 Ca 0.14 -1.87 -0.11 0.00 -0.01 0.00 0.00 54.79 52.94 3khx n ASP 220 Cb 0.38 -0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 40.17 3khx n ASP 220 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3khx s HIS 221 N -1.12 0.07 -0.04 2.11 5.04 -1.26 0.15 115.29 120.24 3khx s HIS 221 Ca 0.27 -0.18 -0.15 0.00 -1.54 0.00 0.00 55.06 53.46 3khx s HIS 221 Cb 0.16 -0.07 0.03 0.00 0.04 0.00 0.00 32.58 32.74 3khx s HIS 221 CO 0.21 -0.27 0.34 0.00 -2.34 0.00 0.00 174.74 172.68 3khx s ALA 222 N -1.37 -0.86 -0.08 1.58 0.00 -0.51 -3.93 121.76 116.58 3khx s ALA 222 Ca -0.15 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 3khx s ALA 222 Cb -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.03 3khx s ALA 222 CO 0.01 -0.25 0.17 -2.00 0.00 0.00 0.00 175.76 173.69 3khx s GLU 223 N -1.04 0.10 -0.08 0.00 2.12 -0.35 -2.63 118.70 116.81 3khx s GLU 223 Ca -0.11 0.44 0.04 0.00 0.36 0.00 0.00 54.97 55.70 3khx s GLU 223 Cb -0.04 -0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.15 3khx s GLU 223 CO 0.04 -0.19 -0.20 0.00 -0.54 0.00 0.00 175.26 174.36 3khx s ALA 224 N 1.42 2.36 -0.11 6.30 0.00 -0.63 -1.60 121.76 129.51 3khx s ALA 224 Ca -0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 3khx s ALA 224 Cb -0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 3khx s ALA 224 CO -0.06 0.37 -0.08 1.03 0.00 0.00 0.00 175.76 177.02 3khx s ARG 225 N -0.02 3.18 -0.02 0.00 0.52 -0.80 -1.48 118.95 120.34 3khx s ARG 225 Ca -0.06 -0.59 -0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3khx s ARG 225 Cb -0.15 -2.69 0.02 0.00 0.52 0.00 0.00 34.95 32.66 3khx s ARG 225 CO 0.05 0.41 0.03 0.08 0.02 0.00 0.00 175.30 175.89 3khx s VAL 226 N -0.14 -0.05 -0.25 3.52 1.01 -0.30 -1.56 120.40 122.64 3khx s VAL 226 Ca 0.01 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 3khx s VAL 226 Cb -0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 3khx s VAL 226 CO 0.03 0.07 0.71 -0.22 0.00 0.00 0.00 175.10 175.69 3khx s LEU 227 N 0.87 4.07 -0.07 3.92 2.96 -0.33 -0.86 118.68 129.24 3khx s LEU 227 Ca -0.07 0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 54.58 3khx s LEU 227 Cb -0.10 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.55 3khx s LEU 227 CO -0.02 -0.42 0.27 -0.69 -1.32 0.00 0.00 176.35 174.16 3khx s VAL 228 N 2.61 5.28 -0.01 1.68 1.01 -1.26 -1.05 120.40 128.66 3khx s VAL 228 Ca 0.30 0.50 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 3khx s VAL 228 Cb -0.15 -3.55 -0.33 0.00 0.00 0.00 0.00 36.38 32.34 3khx s VAL 228 CO 0.08 0.60 0.94 0.50 0.00 0.00 0.00 175.10 177.22 3khx h LYS 229 N 4.90 0.41 0.00 2.72 3.64 -0.99 -3.48 116.57 123.77 3khx h LYS 229 Ca -0.53 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.15 3khx h LYS 229 Cb 1.22 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3khx h LYS 229 CO 0.60 1.33 0.00 0.39 -2.27 0.00 0.00 179.45 179.50 3khx n GLU 230 N -3.95 2.56 -1.81 1.90 4.71 -1.26 -5.05 120.64 117.73 3khx n GLU 230 Ca -0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.58 3khx n GLU 230 Cb 0.95 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.36 3khx n GLU 230 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 3khx s ASN 231 N -0.45 6.40 -0.00 1.62 0.01 -1.26 -4.88 114.94 116.38 3khx s ASN 231 Ca 0.00 2.93 0.07 0.00 -0.71 0.00 0.00 52.86 55.15 3khx s ASN 231 Cb 0.00 -2.64 0.20 0.00 0.41 0.00 0.00 41.25 39.22 3khx s ASN 231 CO 0.00 -0.89 1.15 0.23 -1.51 0.00 0.00 177.10 176.08 3khx n MET 232 N 2.00 1.56 -0.12 -0.60 2.81 -1.26 -4.29 117.12 117.22 3khx n MET 232 Ca 0.07 -0.82 -0.10 0.00 -1.81 0.00 0.00 57.70 55.04 3khx n MET 232 Cb 0.38 -1.21 -0.02 0.00 -0.71 0.00 0.00 33.22 31.66 3khx n MET 232 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3khx h THR 233 N 1.31 1.24 -0.53 2.03 2.02 -2.00 -2.55 112.91 114.43 3khx h THR 233 Ca 0.00 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 3khx h THR 233 Cb 0.34 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3khx h THR 233 CO 0.01 0.29 -0.09 0.44 0.37 0.00 0.00 175.52 176.54 3khx h ASP 234 N 0.44 0.96 0.29 4.18 3.32 -2.00 -2.40 116.42 121.21 3khx h ASP 234 Ca 0.11 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.73 3khx h ASP 234 Cb 0.37 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3khx h ASP 234 CO 0.01 1.07 -0.51 1.62 -1.72 0.00 0.00 179.24 179.71 3khx h VAL 235 N 0.87 1.35 -0.31 -1.35 3.04 -1.82 -1.24 116.25 116.79 3khx h VAL 235 Ca 0.14 -1.76 -0.15 0.00 -1.01 0.00 0.00 66.70 63.93 3khx h VAL 235 Cb 0.63 1.84 -0.00 0.00 -2.01 0.00 0.00 31.29 31.75 3khx h VAL 235 CO 0.04 0.52 -0.38 0.40 -1.01 0.00 0.00 177.57 177.14 3khx h ILE 236 N 0.20 1.29 -0.11 3.17 2.04 -1.26 -0.89 117.51 121.95 3khx h ILE 236 Ca 0.01 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.18 3khx h ILE 236 Cb 0.97 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 3khx h ILE 236 CO 0.08 0.51 -0.47 -0.61 0.00 0.00 0.00 178.15 177.66 3khx h GLN 237 N 0.58 0.28 -0.33 2.37 5.75 -1.34 -2.50 115.11 119.92 3khx h GLN 237 Ca 0.04 -0.15 -0.11 0.00 -0.15 0.00 0.00 58.65 58.28 3khx h GLN 237 Cb 0.97 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 3khx h GLN 237 CO 0.09 0.70 -0.21 -0.44 -2.65 0.00 0.00 178.83 176.32 3khx h ASP 238 N 0.23 0.76 -0.76 -0.69 3.32 -1.09 -1.68 116.42 116.50 3khx h ASP 238 Ca 0.01 -0.43 0.04 0.00 0.02 0.00 0.00 57.03 56.67 3khx h ASP 238 Cb 0.92 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.21 3khx h ASP 238 CO 0.08 1.03 0.47 0.15 -1.72 0.00 0.00 179.24 179.24 3khx h PHE 239 N 0.49 0.88 -0.46 4.55 3.57 -1.11 -0.66 116.94 124.21 3khx h PHE 239 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3khx h PHE 239 Cb 0.77 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3khx h PHE 239 CO 0.06 0.48 -0.00 0.93 -2.23 0.00 0.00 178.31 177.55 3khx h GLU 240 N 0.90 0.82 -0.45 1.11 4.39 -1.27 -0.70 114.58 119.38 3khx h GLU 240 Ca 0.31 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3khx h GLU 240 Cb 0.07 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3khx h GLU 240 CO -0.13 0.87 0.26 -0.92 -1.16 0.00 0.00 179.01 177.93 3khx h TYR 241 N 0.67 0.59 -0.16 4.33 3.20 -1.08 -1.65 116.97 122.86 3khx h TYR 241 Ca 0.13 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 3khx h TYR 241 Cb 0.50 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3khx h TYR 241 CO 0.04 0.40 -0.45 0.35 -1.64 0.00 0.00 178.16 176.85 3khx h PHE 242 N 0.62 0.76 -0.87 -3.82 3.57 -0.57 -0.53 116.94 116.09 3khx h PHE 242 Ca 0.16 -0.30 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 3khx h PHE 242 Cb -0.01 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3khx h PHE 242 CO 0.00 1.07 0.51 -0.07 -2.23 0.00 0.00 178.31 177.60 3khx h LEU 243 N 0.24 1.06 -0.11 0.59 3.38 -0.97 -2.55 115.31 116.94 3khx h LEU 243 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3khx h LEU 243 Cb 1.07 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3khx h LEU 243 CO 0.10 0.82 0.02 -0.08 0.09 0.00 0.00 178.44 179.39 3khx h GLU 244 N 1.21 0.18 0.00 1.13 4.81 -1.16 0.26 114.58 121.01 3khx h GLU 244 Ca 0.31 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3khx h GLU 244 Cb -0.03 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3khx h GLU 244 CO -0.06 0.37 -0.37 1.96 -0.73 0.00 0.00 179.01 180.19 3khx h GLN 245 N -0.04 0.00 -0.59 1.92 1.08 -0.96 -2.63 115.11 113.89 3khx h GLN 245 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3khx h GLN 245 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3khx h GLN 245 CO 0.00 0.37 0.00 0.09 -0.95 0.00 0.00 178.83 178.34 3khx n ASN 246 N -3.96 4.54 -3.90 1.46 4.13 -0.97 -4.96 115.26 111.59 3khx n ASN 246 Ca -0.02 -2.46 -0.26 0.00 1.68 0.00 0.00 54.58 53.53 3khx n ASN 246 Cb 0.42 -0.55 -0.00 0.00 -1.54 0.00 0.00 39.78 38.11 3khx n ASN 246 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3khx n HIS 247 N 0.92 -1.79 -4.28 3.10 8.25 -0.62 -4.96 115.22 115.83 3khx n HIS 247 Ca 0.24 0.79 -0.31 0.00 -0.26 0.00 0.00 57.72 58.19 3khx n HIS 247 Cb 0.85 -3.88 -0.09 0.00 1.12 0.00 0.00 29.99 27.99 3khx n HIS 247 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3khx s LEU 248 N -6.94 3.22 0.34 2.41 1.43 0.81 -5.03 118.68 114.92 3khx s LEU 248 Ca 0.13 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 3khx s LEU 248 Cb -0.07 -1.94 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 3khx s LEU 248 CO 0.86 0.22 0.82 -1.10 0.23 0.00 0.00 176.35 177.39 3khx s GLN 249 N -1.94 4.18 0.00 1.70 -1.52 -1.26 -4.54 119.66 116.27 3khx s GLN 249 Ca 0.21 0.91 0.00 0.00 -1.95 0.00 0.00 55.36 54.54 3khx s GLN 249 Cb -0.11 -2.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 3khx s GLN 249 CO 0.13 0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.73 3khx n GLY 250 N -0.18 -0.95 3.43 3.09 0.00 -1.26 -1.77 105.19 107.56 3khx n GLY 250 Ca 0.04 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 3khx n GLY 250 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3khx s ASP 251 N 0.00 -0.57 -0.00 1.61 1.47 0.11 -4.98 116.67 114.31 3khx s ASP 251 Ca 0.00 0.05 0.07 0.00 1.18 0.00 0.00 52.55 53.85 3khx s ASP 251 Cb 0.00 0.58 -0.02 0.00 -0.34 0.00 0.00 42.92 43.15 3khx s ASP 251 CO 0.00 -0.93 -0.21 -0.94 0.68 0.00 0.00 175.17 173.77 3khx s SER 252 N -2.62 2.52 0.05 2.11 1.04 -1.26 0.22 113.70 115.75 3khx s SER 252 Ca 0.00 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 3khx s SER 252 Cb -0.01 -0.27 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 3khx s SER 252 CO -0.11 0.25 0.15 0.28 0.98 0.00 0.00 173.24 174.78 3khx s THR 253 N -0.56 0.13 -0.21 2.02 -1.32 -0.17 -4.99 115.64 110.54 3khx s THR 253 Ca 0.08 -1.05 -0.08 0.00 -1.21 0.00 0.00 61.69 59.43 3khx s THR 253 Cb -0.08 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 3khx s THR 253 CO -0.00 -0.58 0.09 -0.69 -2.21 0.00 0.00 174.62 171.23 3khx s VAL 254 N -2.83 4.84 -0.35 5.08 1.01 -1.26 0.45 120.40 127.35 3khx s VAL 254 Ca -0.03 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3khx s VAL 254 Cb 0.00 -3.21 0.10 0.00 0.00 0.00 0.00 36.38 33.27 3khx s VAL 254 CO -0.05 0.41 0.07 1.51 0.00 0.00 0.00 175.10 177.04 3khx s ASP 255 N 0.75 4.60 -1.20 3.32 3.84 0.35 -4.79 116.67 123.56 3khx s ASP 255 Ca 0.05 -2.13 -0.10 0.00 -0.00 0.00 0.00 52.55 50.36 3khx s ASP 255 Cb -0.13 -1.49 -0.02 0.00 -1.38 0.00 0.00 42.92 39.90 3khx s ASP 255 CO 0.02 -0.38 0.76 -1.20 -0.00 0.00 0.00 175.17 174.37 3khx n SER 256 N 4.27 -3.88 0.00 2.11 7.64 -1.26 -2.18 113.62 120.32 3khx n SER 256 Ca 0.03 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 59.01 3khx n SER 256 Cb 0.41 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 3khx n SER 256 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3khx n GLY 257 N -1.60 1.24 3.64 0.23 0.00 -1.26 -5.00 105.19 102.44 3khx n GLY 257 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3khx n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khx s ILE 258 N -3.59 4.51 -0.18 -0.61 -1.09 -0.93 -4.69 121.20 114.63 3khx s ILE 258 Ca 0.00 -0.15 -0.25 0.00 -2.23 0.00 0.00 60.65 58.03 3khx s ILE 258 Cb 0.00 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 3khx s ILE 258 CO 0.00 0.52 0.82 -0.22 -1.23 0.00 0.00 174.94 174.82 3khx s LEU 259 N -0.07 4.16 -0.27 2.97 2.96 -0.04 -0.49 118.68 127.90 3khx s LEU 259 Ca 0.05 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 55.06 3khx s LEU 259 Cb -0.12 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.39 3khx s LEU 259 CO 0.02 -0.40 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.95 3khx s VAL 260 N 2.20 3.21 -0.14 1.68 1.01 0.17 -1.15 120.40 127.38 3khx s VAL 260 Ca 0.37 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3khx s VAL 260 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3khx s VAL 260 CO 0.12 0.09 0.01 -0.76 0.00 0.00 0.00 175.10 174.56 3khx s LEU 261 N 1.36 3.58 -0.05 3.92 1.43 -0.55 -1.00 118.68 127.37 3khx s LEU 261 Ca -0.00 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3khx s LEU 261 Cb -0.18 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3khx s LEU 261 CO -0.02 0.25 -0.14 -0.89 0.23 0.00 0.00 176.35 175.78 3khx s THR 262 N -0.08 1.23 -0.06 5.49 2.01 0.13 -1.60 115.64 122.76 3khx s THR 262 Ca 0.04 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.52 3khx s THR 262 Cb -0.13 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.29 3khx s THR 262 CO 0.02 0.37 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.42 3khx s VAL 263 N 0.34 1.77 -0.02 3.82 1.01 -1.08 0.07 120.40 126.32 3khx s VAL 263 Ca -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3khx s VAL 263 Cb -0.13 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3khx s VAL 263 CO 0.03 0.50 0.17 -1.61 0.00 0.00 0.00 175.10 174.19 3khx s GLU 264 N 0.07 3.41 0.00 2.72 8.01 -0.73 -1.43 118.70 130.75 3khx s GLU 264 Ca -0.07 -0.32 0.00 0.00 0.01 0.00 0.00 54.97 54.58 3khx s GLU 264 Cb -0.14 -3.09 0.00 0.00 -4.31 0.00 0.00 34.13 26.59 3khx s GLU 264 CO 0.04 0.68 0.00 0.41 0.01 0.00 0.00 175.26 176.40 3khx n GLY 265 N 1.02 5.31 2.73 -1.39 0.00 0.12 -4.31 105.19 108.68 3khx n GLY 265 Ca -0.11 -1.63 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 3khx n GLY 265 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khx s LYS 266 N 1.92 0.36 -0.02 1.61 2.20 0.06 -4.80 119.74 121.08 3khx s LYS 266 Ca 0.00 0.19 -0.24 0.00 -0.36 0.00 0.00 55.97 55.56 3khx s LYS 266 Cb 0.00 -0.84 -0.04 0.00 -1.51 0.00 0.00 37.83 35.43 3khx s LYS 266 CO 0.00 -0.32 0.73 0.00 -0.36 0.00 0.00 175.35 175.40 3khx s ALA 267 N 2.04 3.35 0.19 3.13 0.00 -1.26 -1.52 121.76 127.69 3khx s ALA 267 Ca 0.05 0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 3khx s ALA 267 Cb -0.12 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.03 3khx s ALA 267 CO -0.05 -0.02 0.40 0.14 0.00 0.00 0.00 175.76 176.23 3khx s VAL 268 N 0.41 0.04 0.35 0.00 -7.23 -1.26 -4.95 120.40 107.77 3khx s VAL 268 Ca 0.38 -1.16 -0.28 0.00 -1.81 0.00 0.00 61.98 59.11 3khx s VAL 268 Cb -0.19 -1.79 -0.10 0.00 0.56 0.00 0.00 36.38 34.86 3khx s VAL 268 CO 0.20 -0.19 1.33 -2.28 -0.31 0.00 0.00 175.10 173.85 3khx s HIS 269 N -3.94 2.93 0.42 2.82 5.65 -1.26 -1.55 115.29 120.36 3khx s HIS 269 Ca 0.15 1.38 0.21 0.00 0.25 0.00 0.00 55.06 57.04 3khx s HIS 269 Cb 0.01 -3.73 1.13 0.00 -1.18 0.00 0.00 32.58 28.80 3khx s HIS 269 CO 0.00 -2.08 1.59 0.78 -0.65 0.00 0.00 174.74 174.38 3khx h GLY 270 N 3.18 0.00 2.00 1.59 0.00 0.12 -1.65 103.07 108.32 3khx h GLY 270 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3khx h GLY 270 CO 0.65 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.19 3khx h MET 271 N 0.00 0.00 -1.55 4.80 -0.00 -1.90 -3.32 114.93 112.96 3khx h MET 271 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.46 3khx h MET 271 Cb 0.77 0.00 -0.26 0.00 -0.00 0.00 0.00 31.60 32.11 3khx h MET 271 CO 0.00 0.00 -0.59 0.34 -0.00 0.00 0.00 176.91 176.66 3khx s ASP 272 N -5.12 0.03 0.43 -0.10 2.15 -0.62 -4.96 116.67 108.48 3khx s ASP 272 Ca -0.01 -1.24 0.23 0.00 0.43 0.00 0.00 52.55 51.96 3khx s ASP 272 Cb 0.10 1.15 0.90 0.00 -0.30 0.00 0.00 42.92 44.77 3khx s ASP 272 CO 0.44 -0.22 1.82 -0.65 -0.17 0.00 0.00 175.17 176.39 3khx h PRO 273 N 7.04 0.00 0.00 4.34 0.11 -1.72 -2.91 132.00 138.86 3khx h PRO 273 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3khx h PRO 273 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3khx h PRO 273 CO 0.16 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.07 3khx n SER 274 N -3.43 0.00 -0.08 -2.05 3.41 -1.26 -1.11 113.62 109.10 3khx n SER 274 Ca -0.00 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.01 3khx n SER 274 Cb 0.43 -0.36 0.36 0.00 -0.26 0.00 0.00 64.21 64.38 3khx n SER 274 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3khx n ILE 275 N -1.36 0.00 -4.39 -1.33 5.41 -1.10 -4.95 119.36 111.64 3khx n ILE 275 Ca 0.04 -0.04 -0.25 0.00 1.00 0.00 0.00 62.75 63.50 3khx n ILE 275 Cb 0.09 0.18 -0.04 0.00 -0.71 0.00 0.00 39.64 39.16 3khx n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3khx n GLY 276 N 1.43 3.43 3.02 7.39 0.00 -0.27 -4.97 105.19 115.22 3khx n GLY 276 Ca 0.08 -2.32 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 3khx n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khx s VAL 277 N -2.41 1.71 -0.63 1.61 1.01 -0.57 -4.88 120.40 116.24 3khx s VAL 277 Ca 0.07 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 3khx s VAL 277 Cb -0.01 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.67 3khx s VAL 277 CO 0.05 0.23 1.19 0.21 0.00 0.00 0.00 175.10 176.78 3khx s ASN 278 N 1.38 6.34 0.37 3.32 3.84 -1.26 -0.76 114.94 128.16 3khx s ASN 278 Ca -0.00 -0.15 0.03 0.00 0.21 0.00 0.00 52.86 52.95 3khx s ASN 278 Cb -0.16 -2.54 0.70 0.00 -0.55 0.00 0.00 41.25 38.70 3khx s ASN 278 CO -0.09 -1.57 2.02 0.00 -2.79 0.00 0.00 177.10 174.67 3khx h ALA 279 N 9.68 1.59 -0.06 1.71 0.00 -1.59 -2.71 119.26 127.88 3khx h ALA 279 Ca -0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 3khx h ALA 279 Cb 1.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3khx h ALA 279 CO 1.21 0.38 -0.23 0.78 0.00 0.00 0.00 179.25 181.39 3khx h GLY 280 N 0.78 0.29 1.03 0.00 0.00 -1.81 -2.06 103.07 101.30 3khx h GLY 280 Ca 0.21 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3khx h GLY 280 CO -0.05 0.35 0.58 1.41 0.00 0.00 0.00 176.54 178.83 3khx h LEU 281 N -0.26 0.95 -0.39 3.11 3.38 -1.92 -1.55 115.31 118.63 3khx h LEU 281 Ca -0.01 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3khx h LEU 281 Cb 0.87 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3khx h LEU 281 CO 0.05 0.66 -0.25 1.88 0.09 0.00 0.00 178.44 180.86 3khx h TYR 282 N 1.11 1.00 -0.49 1.13 0.05 -1.39 -1.89 116.97 116.48 3khx h TYR 282 Ca 0.35 -0.27 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 3khx h TYR 282 Cb 0.00 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 3khx h TYR 282 CO -0.00 1.05 0.03 1.25 -1.05 0.00 0.00 178.16 179.44 3khx h LEU 283 N 0.66 0.76 -0.84 3.88 5.85 -1.02 -1.42 115.31 123.18 3khx h LEU 283 Ca 0.08 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 3khx h LEU 283 Cb 0.82 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3khx h LEU 283 CO 0.07 0.81 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.55 3khx h LEU 284 N 0.75 0.45 -0.09 2.25 4.07 -1.25 -1.85 115.31 119.65 3khx h LEU 284 Ca 0.15 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3khx h LEU 284 Cb 0.41 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 3khx h LEU 284 CO 0.01 0.78 0.05 0.50 -1.08 0.00 0.00 178.44 178.71 3khx h LYS 285 N 0.37 0.12 0.16 1.13 1.63 -0.61 -1.52 116.57 117.85 3khx h LYS 285 Ca 0.04 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3khx h LYS 285 Cb 0.80 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.38 3khx h LYS 285 CO 0.06 0.10 -0.28 0.35 -3.45 0.00 0.00 179.45 176.24 3khx h PHE 286 N 0.09 -0.75 -1.06 1.91 3.04 -1.18 -2.29 116.94 116.71 3khx h PHE 286 Ca 0.03 0.01 0.28 0.00 3.98 0.00 0.00 57.97 62.28 3khx h PHE 286 Cb 0.02 0.31 -0.08 0.00 2.56 0.00 0.00 35.95 38.75 3khx h PHE 286 CO -0.06 -0.39 0.70 -0.07 -2.02 0.00 0.00 178.31 176.47 3khx h LEU 287 N -0.51 0.33 -1.73 0.59 3.38 -1.09 0.21 115.31 116.49 3khx h LEU 287 Ca 0.02 0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.25 3khx h LEU 287 Cb 0.52 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3khx h LEU 287 CO -0.14 0.06 0.71 0.00 0.09 0.00 0.00 178.44 179.17 3khx h ALA 288 N 1.58 2.47 0.00 1.53 0.00 -0.67 0.47 119.26 124.64 3khx h ALA 288 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3khx h ALA 288 Cb 1.66 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3khx h ALA 288 CO -0.23 -1.06 0.00 -1.13 0.00 0.00 0.00 179.25 176.83 3khx n SER 289 N -3.63 0.32 -4.94 0.00 3.41 0.73 -4.86 113.62 104.65 3khx n SER 289 Ca 0.14 0.54 -0.28 0.00 -0.26 0.00 0.00 58.87 59.01 3khx n SER 289 Cb 0.95 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3khx n SER 289 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3khx s LEU 290 N -3.62 4.35 -0.87 1.04 1.02 0.15 -5.04 118.68 115.71 3khx s LEU 290 Ca 0.11 0.21 -0.25 0.00 0.02 0.00 0.00 54.13 54.22 3khx s LEU 290 Cb 0.14 -2.93 -0.00 0.00 0.02 0.00 0.00 46.19 43.42 3khx s LEU 290 CO 0.48 0.09 1.70 0.20 0.02 0.00 0.00 176.35 178.85 3khx s ASN 291 N -2.96 5.70 0.42 2.29 0.01 -1.26 -4.99 114.94 114.15 3khx s ASN 291 Ca 0.35 -0.72 0.04 0.00 -0.71 0.00 0.00 52.86 51.82 3khx s ASN 291 Cb -0.12 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.99 3khx s ASN 291 CO 0.28 -2.20 0.60 -0.76 -1.51 0.00 0.00 177.10 173.52 3khx s LEU 292 N 7.83 3.69 0.84 0.60 1.43 -1.26 -1.74 118.68 130.06 3khx s LEU 292 Ca 0.58 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3khx s LEU 292 Cb -0.06 -2.85 0.10 0.00 0.03 0.00 0.00 46.19 43.41 3khx s LEU 292 CO 0.02 -0.71 1.13 1.51 0.23 0.00 0.00 176.35 178.53 3khx s ASP 293 N -4.27 3.67 0.12 2.29 -4.77 -0.87 -4.72 116.67 108.11 3khx s ASP 293 Ca 0.50 2.08 -0.33 0.00 -3.30 0.00 0.00 52.55 51.51 3khx s ASP 293 Cb -0.10 -2.55 -0.11 0.00 -1.09 0.00 0.00 42.92 39.07 3khx s ASP 293 CO 0.35 -2.60 1.57 0.78 0.70 0.00 0.00 175.17 175.96 3khx h ASN 294 N -1.38 -1.52 -0.48 2.11 2.35 -1.96 -1.72 115.58 112.97 3khx h ASN 294 Ca -0.44 0.18 0.07 0.00 -0.55 0.00 0.00 56.30 55.56 3khx h ASN 294 Cb 1.26 0.59 -0.06 0.00 0.05 0.00 0.00 38.32 40.16 3khx h ASN 294 CO 0.46 -0.50 0.15 0.78 -1.65 0.00 0.00 177.43 176.68 3khx h ASN 295 N -0.63 0.13 -0.45 5.81 4.21 -1.97 -1.78 115.58 120.91 3khx h ASN 295 Ca 0.03 0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.64 3khx h ASN 295 Cb 0.70 0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 37.92 3khx h ASN 295 CO -0.36 0.10 0.22 0.00 -1.29 0.00 0.00 177.43 176.11 3khx h ALA 296 N 1.34 0.56 -0.48 -0.83 0.00 -1.88 -0.27 119.26 117.70 3khx h ALA 296 Ca 0.23 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3khx h ALA 296 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3khx h ALA 296 CO -0.26 -0.13 0.32 0.37 0.00 0.00 0.00 179.25 179.55 3khx h GLN 297 N 0.45 0.63 -0.20 0.00 4.15 -0.94 0.24 115.11 119.43 3khx h GLN 297 Ca 0.20 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 3khx h GLN 297 Cb 0.10 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3khx h GLN 297 CO -0.14 0.41 -0.29 0.00 -1.93 0.00 0.00 178.83 176.89 3khx h ALA 298 N 1.18 1.14 0.37 3.38 0.00 -1.07 -0.21 119.26 124.04 3khx h ALA 298 Ca 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3khx h ALA 298 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3khx h ALA 298 CO -0.04 0.55 -0.18 0.35 0.00 0.00 0.00 179.25 179.93 3khx h PHE 299 N 0.34 -0.46 -0.63 0.00 3.04 0.52 -1.28 116.94 118.48 3khx h PHE 299 Ca 0.05 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 3khx h PHE 299 Cb 0.69 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.32 3khx h PHE 299 CO 0.02 -0.19 0.20 -0.39 -2.02 0.00 0.00 178.31 175.93 3khx h VAL 300 N -0.66 1.25 -0.77 1.41 -1.51 -0.53 -2.76 116.25 112.67 3khx h VAL 300 Ca -0.05 -0.83 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3khx h VAL 300 Cb 0.47 0.60 -0.04 0.00 -2.13 0.00 0.00 31.29 30.20 3khx h VAL 300 CO 0.08 0.32 0.49 0.00 -1.23 0.00 0.00 177.57 177.24 3khx h ALA 301 N 1.07 0.98 -0.42 5.19 0.00 -1.00 -0.77 119.26 124.31 3khx h ALA 301 Ca 0.20 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3khx h ALA 301 Cb 0.28 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3khx h ALA 301 CO -0.01 0.42 0.03 0.35 0.00 0.00 0.00 179.25 180.04 3khx h PHE 302 N 1.05 0.03 -0.36 0.00 3.57 -1.06 0.16 116.94 120.33 3khx h PHE 302 Ca 0.28 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.84 3khx h PHE 302 Cb -0.09 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3khx h PHE 302 CO -0.01 -0.05 0.17 1.03 -2.23 0.00 0.00 178.31 177.21 3khx h SER 303 N 0.14 0.23 -0.55 0.41 0.87 -1.04 -0.48 113.55 113.13 3khx h SER 303 Ca 0.21 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 3khx h SER 303 Cb 0.29 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3khx h SER 303 CO -0.32 0.17 0.24 0.78 -0.53 0.00 0.00 176.83 177.18 3khx h ASN 304 N 0.35 0.78 0.26 6.23 4.21 -0.66 -0.30 115.58 126.44 3khx h ASN 304 Ca 0.15 -0.10 -0.24 0.00 1.21 0.00 0.00 56.30 57.33 3khx h ASN 304 Cb 0.08 -0.20 0.01 0.00 -1.12 0.00 0.00 38.32 37.09 3khx h ASN 304 CO -0.12 0.69 -1.00 -0.09 -1.29 0.00 0.00 177.43 175.62 3khx h ARG 305 N 0.84 0.49 0.00 0.81 2.43 -0.05 -3.41 114.38 115.50 3khx h ARG 305 Ca 0.20 -0.54 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 3khx h ARG 305 Cb 0.15 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3khx h ARG 305 CO -0.02 1.18 -1.38 0.66 -1.51 0.00 0.00 179.97 178.90 3khx n TYR 306 N -3.76 0.00 -0.03 2.20 4.01 -0.25 -4.89 117.16 114.44 3khx n TYR 306 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.60 3khx n TYR 306 Cb 0.86 -0.22 -0.02 0.00 -0.31 0.00 0.00 39.34 39.65 3khx n TYR 306 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3khx n LEU 307 N -1.89 1.41 -4.67 7.72 4.77 -0.25 -4.06 117.00 120.04 3khx n LEU 307 Ca -0.04 0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.53 3khx n LEU 307 Cb 0.34 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3khx n LEU 307 CO 0.16 0.31 0.95 0.33 -1.33 0.00 0.00 177.39 177.80 3khx n PHE 308 N -3.03 2.12 -3.85 -1.77 7.35 -0.48 -3.06 117.46 114.73 3khx n PHE 308 Ca -0.11 0.49 -0.25 0.00 -0.76 0.00 0.00 57.45 56.81 3khx n PHE 308 Cb 0.59 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.99 3khx n PHE 308 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3khx n ASN 309 N 1.75 -1.27 -3.27 -2.13 5.03 -1.26 -4.93 115.26 109.18 3khx n ASN 309 Ca 0.10 -0.96 -0.06 0.00 0.87 0.00 0.00 54.58 54.53 3khx n ASN 309 Cb 0.32 -3.36 -0.04 0.00 -1.02 0.00 0.00 39.78 35.69 3khx n ASN 309 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3khx s SER 310 N -4.24 -0.42 -0.00 6.41 0.15 -1.17 -4.93 113.70 109.49 3khx s SER 310 Ca 0.07 -1.01 0.22 0.00 0.70 0.00 0.00 55.95 55.93 3khx s SER 310 Cb -0.03 1.40 -0.22 0.00 -1.71 0.00 0.00 66.02 65.46 3khx s SER 310 CO 0.86 -0.22 0.81 0.47 1.20 0.00 0.00 173.24 176.36 3khx n ASP 311 N 4.46 0.69 -0.69 5.45 8.00 -1.26 -4.50 116.55 128.70 3khx n ASP 311 Ca 0.10 -0.65 0.06 0.00 0.71 0.00 0.00 54.79 55.01 3khx n ASP 311 Cb 0.52 1.24 0.15 0.00 -0.02 0.00 0.00 41.12 43.01 3khx n ASP 311 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3khx n PHE 312 N -1.74 0.00 -1.05 1.24 3.72 -1.26 -1.69 117.46 116.67 3khx n PHE 312 Ca 0.02 -1.16 -0.02 0.00 -0.05 0.00 0.00 57.45 56.24 3khx n PHE 312 Cb 0.40 -0.21 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3khx n PHE 312 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3khx n GLY 313 N -0.81 0.48 0.27 1.37 0.00 -1.26 -3.98 105.19 101.26 3khx n GLY 313 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 3khx n GLY 313 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3khx h GLU 314 N 0.51 -0.21 0.00 1.61 3.07 -1.89 -1.04 114.58 116.63 3khx h GLU 314 Ca -0.03 0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.77 3khx h GLU 314 Cb 0.35 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3khx h GLU 314 CO 0.05 -0.14 -0.32 0.87 -1.40 0.00 0.00 179.01 178.07 3khx h LYS 315 N -0.22 0.00 -0.07 2.33 1.57 -1.91 -1.87 116.57 116.40 3khx h LYS 315 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3khx h LYS 315 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3khx h LYS 315 CO -0.41 0.32 0.00 -1.33 -0.57 0.00 0.00 179.45 177.46 3khx n MET 316 N -3.39 1.34 -2.82 3.15 2.81 -0.99 -4.84 117.12 112.39 3khx n MET 316 Ca 0.01 -0.51 -0.18 0.00 -1.81 0.00 0.00 57.70 55.20 3khx n MET 316 Cb 0.52 -1.34 0.03 0.00 -0.71 0.00 0.00 33.22 31.71 3khx n MET 316 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3khx n GLY 317 N 0.95 -0.31 0.55 3.03 0.00 -0.70 -4.89 105.19 103.82 3khx n GLY 317 Ca 0.15 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.19 3khx n GLY 317 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3khx n MET 318 N -3.36 1.03 -2.04 1.61 2.81 -0.45 -5.04 117.12 111.68 3khx n MET 318 Ca -0.11 -2.56 -0.41 0.00 -1.81 0.00 0.00 57.70 52.81 3khx n MET 318 Cb 0.61 -1.18 -0.02 0.00 -0.71 0.00 0.00 33.22 31.91 3khx n MET 318 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3khx s LYS 319 N -2.18 4.28 -0.25 0.03 2.20 -1.20 -4.76 119.74 117.86 3khx s LYS 319 Ca 0.30 2.28 -0.08 0.00 -0.36 0.00 0.00 55.97 58.11 3khx s LYS 319 Cb 0.29 -3.12 0.11 0.00 -1.51 0.00 0.00 37.83 33.61 3khx s LYS 319 CO -0.04 -0.39 0.53 0.12 -0.36 0.00 0.00 175.35 175.20 3khx s PHE 320 N -0.04 -1.08 -0.26 4.03 5.36 -1.26 -5.01 117.98 119.71 3khx s PHE 320 Ca 0.59 1.88 -0.04 0.00 -0.96 0.00 0.00 56.93 58.40 3khx s PHE 320 Cb -0.41 0.54 0.01 0.00 -0.34 0.00 0.00 43.02 42.82 3khx s PHE 320 CO 0.43 -0.59 -0.01 -1.58 -1.46 0.00 0.00 175.22 172.01 3khx s HIS 321 N 2.75 3.08 -0.42 10.12 5.65 -1.26 -1.70 115.29 133.51 3khx s HIS 321 Ca -0.02 -1.26 0.02 0.00 0.25 0.00 0.00 55.06 54.05 3khx s HIS 321 Cb -0.12 -2.13 0.13 0.00 -1.18 0.00 0.00 32.58 29.28 3khx s HIS 321 CO -0.16 -0.65 0.23 0.95 -0.65 0.00 0.00 174.74 174.46 3khx s THR 322 N 1.41 1.21 -0.41 0.89 -4.23 -0.41 -5.02 115.64 109.07 3khx s THR 322 Ca 0.02 -2.38 0.05 0.00 -1.18 0.00 0.00 61.69 58.20 3khx s THR 322 Cb -0.16 -1.85 0.20 0.00 1.34 0.00 0.00 72.50 72.02 3khx s THR 322 CO -0.02 -0.90 0.43 -0.67 -0.54 0.00 0.00 174.62 172.92 3khx n ASP 323 N 3.68 -0.51 0.00 3.99 2.03 -1.26 0.28 116.55 124.76 3khx n ASP 323 Ca 0.08 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.88 3khx n ASP 323 Cb 0.35 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 3khx n ASP 323 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 3khx n VAL 324 N 2.38 0.00 -2.35 5.18 3.14 -1.26 -4.88 118.33 120.54 3khx n VAL 324 Ca 0.26 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.43 3khx n VAL 324 Cb 0.50 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.30 3khx n VAL 324 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 3khx n MET 325 N 13.87 3.09 0.00 1.45 0.00 0.80 -5.11 117.12 131.22 3khx n MET 325 Ca 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 57.70 53.57 3khx n MET 325 Cb 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 33.22 31.13 3khx n MET 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3khx n GLY 326 N -0.55 -1.97 3.47 3.17 0.00 0.30 -4.73 105.19 104.88 3khx n GLY 326 Ca 0.34 -2.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 3khx n GLY 326 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khx s ASP 327 N -3.39 3.10 0.17 1.61 -0.00 -1.26 -1.29 116.67 115.61 3khx s ASP 327 Ca 0.00 -1.19 -0.31 0.00 -0.00 0.00 0.00 52.55 51.04 3khx s ASP 327 Cb 0.00 -0.23 -0.09 0.00 -0.00 0.00 0.00 42.92 42.60 3khx s ASP 327 CO 0.00 -0.29 1.49 -0.69 -0.00 0.00 0.00 175.17 175.67 3khx s VAL 328 N -2.87 2.84 0.11 -1.27 1.01 -0.69 -4.57 120.40 114.97 3khx s VAL 328 Ca 0.31 0.62 0.10 0.00 0.00 0.00 0.00 61.98 63.01 3khx s VAL 328 Cb 0.03 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3khx s VAL 328 CO 0.14 0.06 -0.26 0.42 0.00 0.00 0.00 175.10 175.46 3khx s THR 329 N 0.91 2.12 -0.18 3.92 -4.23 -0.70 -4.37 115.64 113.10 3khx s THR 329 Ca 0.66 -1.66 -0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3khx s THR 329 Cb -0.41 -1.88 0.05 0.00 1.34 0.00 0.00 72.50 71.60 3khx s THR 329 CO 0.33 0.09 -0.05 0.42 -0.54 0.00 0.00 174.62 174.87 3khx s THR 330 N -1.05 1.19 -0.18 3.99 -4.23 -0.68 -1.94 115.64 112.75 3khx s THR 330 Ca 0.12 -0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 59.79 3khx s THR 330 Cb -0.10 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 3khx s THR 330 CO 0.05 0.06 0.04 0.21 -0.54 0.00 0.00 174.62 174.44 3khx s ASN 331 N 1.58 5.36 -0.77 3.99 2.47 -0.23 -4.55 114.94 122.80 3khx s ASN 331 Ca -0.01 0.00 -0.17 0.00 0.42 0.00 0.00 52.86 53.10 3khx s ASN 331 Cb -0.16 -1.91 0.16 0.00 -1.45 0.00 0.00 41.25 37.88 3khx s ASN 331 CO -0.07 0.16 0.83 -0.63 -3.72 0.00 0.00 177.10 173.66 3khx s ILE 332 N 0.46 5.11 -0.47 -5.21 -1.09 -1.26 -0.51 121.20 118.24 3khx s ILE 332 Ca 0.01 -1.73 0.23 0.00 -2.23 0.00 0.00 60.65 56.94 3khx s ILE 332 Cb -0.13 -4.55 -0.03 0.00 -1.58 0.00 0.00 42.46 36.17 3khx s ILE 332 CO 0.01 -1.18 1.11 0.61 -1.23 0.00 0.00 174.94 174.26 3khx n GLY 333 N 4.85 -1.36 2.74 6.18 0.00 -0.41 -4.54 105.19 112.65 3khx n GLY 333 Ca 0.08 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 3khx n GLY 333 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khx s VAL 334 N -3.26 -0.10 -0.08 1.61 1.01 -1.10 -3.55 120.40 114.94 3khx s VAL 334 Ca 0.03 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 3khx s VAL 334 Cb 0.12 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.39 3khx s VAL 334 CO 0.78 0.13 0.00 -0.63 0.00 0.00 0.00 175.10 175.38 3khx s ILE 335 N 1.65 0.40 0.06 2.22 1.01 -0.16 0.92 121.20 127.29 3khx s ILE 335 Ca -0.02 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.73 3khx s ILE 335 Cb -0.12 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 3khx s ILE 335 CO -0.03 0.25 -0.05 0.42 0.00 0.00 0.00 174.94 175.52 3khx s THR 336 N 1.96 0.44 -0.28 2.92 -4.23 -0.68 -1.31 115.64 114.47 3khx s THR 336 Ca 0.05 -1.61 -0.22 0.00 -1.18 0.00 0.00 61.69 58.74 3khx s THR 336 Cb -0.12 -1.25 0.12 0.00 1.34 0.00 0.00 72.50 72.58 3khx s THR 336 CO -0.05 -0.78 0.94 -0.47 -0.54 0.00 0.00 174.62 173.72 3khx s TYR 337 N -3.03 -0.60 0.18 3.99 5.04 -0.80 -0.12 117.35 122.00 3khx s TYR 337 Ca 0.03 1.36 -0.05 0.00 -2.44 0.00 0.00 57.07 55.97 3khx s TYR 337 Cb 0.01 0.38 -0.03 0.00 0.35 0.00 0.00 41.96 42.67 3khx s TYR 337 CO -0.05 -0.29 0.20 0.16 -1.34 0.00 0.00 175.55 174.23 3khx s ASP 338 N 0.69 0.13 0.15 4.32 1.47 -1.26 0.24 116.67 122.41 3khx s ASP 338 Ca -0.02 -1.14 -0.31 0.00 1.18 0.00 0.00 52.55 52.26 3khx s ASP 338 Cb -0.05 0.40 -0.07 0.00 -0.34 0.00 0.00 42.92 42.87 3khx s ASP 338 CO -0.09 -0.87 1.54 0.78 0.68 0.00 0.00 175.17 177.21 3khx h ASN 339 N 2.61 -2.02 0.18 2.11 4.21 -1.54 -3.14 115.58 117.98 3khx h ASN 339 Ca -0.33 0.30 -0.26 0.00 1.21 0.00 0.00 56.30 57.21 3khx h ASN 339 Cb 1.23 0.88 0.02 0.00 -1.12 0.00 0.00 38.32 39.33 3khx h ASN 339 CO 0.51 -0.30 -1.07 -0.33 -1.29 0.00 0.00 177.43 174.95 3khx h GLU 340 N -0.15 0.57 0.38 0.81 3.07 -1.97 -3.41 114.58 113.88 3khx h GLU 340 Ca 0.14 -0.66 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 3khx h GLU 340 Cb 0.49 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3khx h GLU 340 CO -0.81 1.26 -0.36 -2.95 -1.40 0.00 0.00 179.01 174.74 3khx h ASN 341 N 0.30 -0.99 -2.70 1.42 -0.00 -1.95 -3.49 115.58 108.17 3khx h ASN 341 Ca -0.13 0.08 -0.29 0.00 -0.00 0.00 0.00 56.30 55.96 3khx h ASN 341 Cb 1.72 0.32 -0.35 0.00 -0.00 0.00 0.00 38.32 40.02 3khx h ASN 341 CO 0.20 -0.49 -0.60 0.00 -0.00 0.00 0.00 177.43 176.54 3khx s ALA 342 N -5.10 -0.32 0.00 4.14 0.00 -1.26 -4.79 121.76 114.42 3khx s ALA 342 Ca -0.13 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3khx s ALA 342 Cb 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.99 3khx s ALA 342 CO 0.43 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.64 3khx n GLY 343 N 5.33 1.61 3.15 0.00 0.00 -1.24 -4.63 105.19 109.42 3khx n GLY 343 Ca -0.05 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 3khx n GLY 343 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3khx s LEU 344 N 0.00 0.86 -0.11 0.99 0.20 0.82 -1.87 118.68 119.58 3khx s LEU 344 Ca 0.00 0.56 0.03 0.00 0.69 0.00 0.00 54.13 55.41 3khx s LEU 344 Cb 0.00 0.93 -0.00 0.00 -0.43 0.00 0.00 46.19 46.69 3khx s LEU 344 CO 0.00 -0.11 -0.21 -0.36 -0.29 0.00 0.00 176.35 175.39 3khx s PHE 345 N 0.31 2.63 -0.27 5.38 0.08 -0.51 -1.68 117.98 123.92 3khx s PHE 345 Ca -0.01 -0.91 -0.11 0.00 0.12 0.00 0.00 56.93 56.01 3khx s PHE 345 Cb -0.03 -1.74 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 3khx s PHE 345 CO -0.01 -0.35 0.18 0.20 -0.10 0.00 0.00 175.22 175.14 3khx s GLY 346 N 0.32 1.94 -0.12 4.36 0.00 0.26 -0.45 107.32 113.63 3khx s GLY 346 Ca -0.16 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.53 3khx s GLY 346 CO 0.08 0.58 -0.15 -0.42 0.00 0.00 0.00 173.10 173.19 3khx s ILE 347 N 1.56 2.88 -0.46 0.90 1.01 -0.02 -1.29 121.20 125.79 3khx s ILE 347 Ca 0.07 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.87 3khx s ILE 347 Cb -0.15 -2.19 0.09 0.00 0.01 0.00 0.00 42.46 40.21 3khx s ILE 347 CO 0.09 0.53 0.35 0.21 0.00 0.00 0.00 174.94 176.13 3khx s ASN 348 N 0.32 5.91 -0.25 3.58 2.47 0.34 -1.93 114.94 125.37 3khx s ASN 348 Ca -0.12 -1.53 -0.08 0.00 0.42 0.00 0.00 52.86 51.55 3khx s ASN 348 Cb -0.16 -2.09 -0.03 0.00 -1.45 0.00 0.00 41.25 37.51 3khx s ASN 348 CO 0.06 -0.64 0.10 -0.22 -3.72 0.00 0.00 177.10 172.68 3khx s LEU 349 N 1.52 3.59 0.06 3.21 0.20 -1.05 -1.07 118.68 125.14 3khx s LEU 349 Ca 0.04 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.76 3khx s LEU 349 Cb -0.25 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 3khx s LEU 349 CO 0.04 -0.02 -0.04 -0.13 -0.29 0.00 0.00 176.35 175.91 3khx s ARG 350 N 1.56 2.50 -0.12 1.98 0.52 -0.82 -1.42 118.95 123.15 3khx s ARG 350 Ca 0.06 -0.82 -0.13 0.00 -0.52 0.00 0.00 55.73 54.32 3khx s ARG 350 Cb -0.15 -2.50 0.03 0.00 0.52 0.00 0.00 34.95 32.85 3khx s ARG 350 CO 0.05 0.56 0.36 1.52 0.02 0.00 0.00 175.30 177.81 3khx s TYR 351 N -1.19 -0.37 0.46 -0.53 1.13 0.12 -1.72 117.35 115.25 3khx s TYR 351 Ca 0.22 0.87 -0.20 0.00 -1.41 0.00 0.00 57.07 56.55 3khx s TYR 351 Cb -0.11 0.13 -0.10 0.00 -1.10 0.00 0.00 41.96 40.78 3khx s TYR 351 CO 0.14 -0.23 0.99 -1.25 -2.51 0.00 0.00 175.55 172.69 3khx s PRO 352 N -0.07 4.01 0.10 -3.49 0.04 -1.26 -0.08 135.00 134.25 3khx s PRO 352 Ca -0.02 1.21 -0.36 0.00 0.04 0.00 0.00 61.00 61.87 3khx s PRO 352 Cb -0.03 -2.14 -0.17 0.00 0.04 0.00 0.00 34.50 32.20 3khx s PRO 352 CO 0.01 -0.23 1.14 -1.91 0.04 0.00 0.00 177.00 176.04 3khx n GLU 353 N -0.87 0.74 0.00 4.56 0.00 -1.26 -2.24 120.64 121.57 3khx n GLU 353 Ca 0.08 0.27 0.00 0.00 0.00 0.00 0.00 57.16 57.51 3khx n GLU 353 Cb 0.53 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 30.21 3khx n GLU 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3khx n GLY 354 N 2.03 1.52 3.71 8.31 0.00 -1.26 -5.01 105.19 114.49 3khx n GLY 354 Ca 0.18 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3khx n GLY 354 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3khx s PHE 355 N -0.84 3.56 -1.21 1.61 2.19 -0.95 -4.99 117.98 117.34 3khx s PHE 355 Ca 0.00 1.56 -0.14 0.00 0.33 0.00 0.00 56.93 58.68 3khx s PHE 355 Cb 0.00 -3.22 0.17 0.00 -1.31 0.00 0.00 43.02 38.66 3khx s PHE 355 CO 0.00 -0.41 1.44 -1.21 1.83 0.00 0.00 175.22 176.86 3khx s GLU 356 N 1.25 4.10 0.13 10.12 2.02 -1.26 -4.89 118.70 130.17 3khx s GLU 356 Ca 0.53 -2.59 -0.20 0.00 0.02 0.00 0.00 54.97 52.73 3khx s GLU 356 Cb -0.23 -5.06 -0.03 0.00 0.10 0.00 0.00 34.13 28.91 3khx s GLU 356 CO 0.26 -1.77 1.73 0.35 0.02 0.00 0.00 175.26 175.86 3khx h PHE 357 N 7.14 0.03 -0.48 1.61 3.57 -1.98 -1.58 116.94 125.25 3khx h PHE 357 Ca 0.32 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.84 3khx h PHE 357 Cb 0.87 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 3khx h PHE 357 CO 1.10 -0.00 0.31 0.93 -2.23 0.00 0.00 178.31 178.41 3khx h GLU 358 N 0.09 0.60 -0.38 1.11 3.07 -1.99 -1.14 114.58 115.95 3khx h GLU 358 Ca 0.09 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 3khx h GLU 358 Cb 0.10 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3khx h GLU 358 CO -0.14 0.40 -0.15 0.87 -1.40 0.00 0.00 179.01 178.59 3khx h LYS 359 N 0.62 0.68 0.16 2.33 1.57 -1.94 -0.63 116.57 119.35 3khx h LYS 359 Ca 0.18 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3khx h LYS 359 Cb -0.05 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3khx h LYS 359 CO -0.05 0.80 -0.07 0.00 -0.57 0.00 0.00 179.45 179.55 3khx h ALA 360 N 1.22 -0.21 -0.98 3.86 0.00 -0.85 -2.53 119.26 119.77 3khx h ALA 360 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3khx h ALA 360 Cb 0.60 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3khx h ALA 360 CO 0.04 -0.62 0.65 1.98 0.00 0.00 0.00 179.25 181.30 3khx h MET 361 N -0.21 1.30 -0.61 0.00 4.05 -1.09 -0.43 114.93 117.93 3khx h MET 361 Ca -0.02 -0.08 0.12 0.00 -0.28 0.00 0.00 59.70 59.44 3khx h MET 361 Cb 0.16 -0.29 -0.12 0.00 -0.80 0.00 0.00 31.60 30.55 3khx h MET 361 CO 0.04 0.86 -0.19 -0.44 0.23 0.00 0.00 176.91 177.41 3khx h ASP 362 N 1.34 -0.68 -0.02 1.39 3.32 -0.92 -1.25 116.42 119.60 3khx h ASP 362 Ca 0.36 0.19 -0.26 0.00 0.02 0.00 0.00 57.03 57.35 3khx h ASP 362 Cb -0.15 0.42 0.02 0.00 0.22 0.00 0.00 39.33 39.84 3khx h ASP 362 CO -0.08 -0.23 -0.98 -0.09 -1.72 0.00 0.00 179.24 176.14 3khx h ARG 363 N -0.03 0.72 -0.62 3.56 1.12 -0.89 -3.04 114.38 115.19 3khx h ARG 363 Ca 0.29 -0.72 -0.01 0.00 -1.11 0.00 0.00 59.98 58.42 3khx h ARG 363 Cb 0.48 0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.61 3khx h ARG 363 CO -0.65 1.31 0.33 0.35 -3.11 0.00 0.00 179.97 178.20 3khx h PHE 364 N 0.42 0.85 -0.32 2.20 3.57 -0.90 -1.17 116.94 121.59 3khx h PHE 364 Ca -0.11 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.27 3khx h PHE 364 Cb 1.63 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 3khx h PHE 364 CO 0.10 0.62 -0.21 0.00 -2.23 0.00 0.00 178.31 176.58 3khx h ALA 365 N 1.16 1.02 -0.21 2.41 0.00 -1.28 0.03 119.26 122.39 3khx h ALA 365 Ca 0.22 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3khx h ALA 365 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3khx h ALA 365 CO -0.03 0.58 -0.28 -0.97 0.00 0.00 0.00 179.25 178.55 3khx h ASN 366 N 0.55 0.61 -0.44 0.00 -0.00 -1.39 -3.05 115.58 111.85 3khx h ASN 366 Ca 0.08 -0.51 -0.04 0.00 -0.00 0.00 0.00 56.30 55.84 3khx h ASN 366 Cb 0.67 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.79 3khx h ASN 366 CO 0.05 0.99 0.15 -0.08 -0.00 0.00 0.00 177.43 178.54 3khx h GLU 367 N 0.24 0.74 -0.00 6.67 4.81 -0.74 -2.96 114.58 123.34 3khx h GLU 367 Ca 0.02 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3khx h GLU 367 Cb 0.85 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3khx h GLU 367 CO 0.07 0.65 -0.29 0.44 -0.73 0.00 0.00 179.01 179.14 3khx n ILE 368 N -4.31 0.00 -0.23 2.32 -5.35 -0.05 -3.89 119.36 107.85 3khx n ILE 368 Ca 0.04 -0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.58 3khx n ILE 368 Cb 0.19 0.03 0.36 0.00 -1.74 0.00 0.00 39.64 38.48 3khx n ILE 368 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3khx h GLN 369 N 0.23 0.73 -0.82 6.28 1.08 -1.40 0.89 115.11 122.11 3khx h GLN 369 Ca 0.00 -0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.37 3khx h GLN 369 Cb 0.48 -0.16 -0.15 0.00 -0.05 0.00 0.00 27.48 27.59 3khx h GLN 369 CO 0.00 0.48 -0.02 0.94 -0.95 0.00 0.00 178.83 179.28 3khx n GLN 370 N -4.51 -0.07 -0.29 1.46 7.27 -1.25 -1.11 117.38 118.88 3khx n GLN 370 Ca 0.14 1.23 0.09 0.00 0.07 0.00 0.00 57.00 58.52 3khx n GLN 370 Cb 0.33 -1.94 0.25 0.00 2.41 0.00 0.00 30.24 31.29 3khx n GLN 370 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3khx n TYR 371 N -5.19 0.76 -2.59 3.69 4.01 0.30 -4.90 117.16 113.23 3khx n TYR 371 Ca 0.18 -0.37 -0.10 0.00 -0.16 0.00 0.00 57.90 57.45 3khx n TYR 371 Cb 0.59 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.63 3khx n TYR 371 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3khx n GLY 372 N 1.37 0.12 3.47 2.72 0.00 -0.27 -4.86 105.19 107.74 3khx n GLY 372 Ca 0.19 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3khx n GLY 372 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khx s PHE 373 N -2.81 2.64 0.06 1.61 0.08 -1.17 0.38 117.98 118.77 3khx s PHE 373 Ca 0.14 -0.20 0.06 0.00 0.12 0.00 0.00 56.93 57.04 3khx s PHE 373 Cb -0.06 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.81 3khx s PHE 373 CO 0.17 0.22 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.19 3khx s GLU 374 N -1.12 2.23 -0.21 0.44 0.41 0.17 -3.89 118.70 116.73 3khx s GLU 374 Ca 0.13 -0.93 -0.11 0.00 -0.41 0.00 0.00 54.97 53.65 3khx s GLU 374 Cb -0.11 -2.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.86 3khx s GLU 374 CO 0.03 0.54 0.17 0.08 -0.49 0.00 0.00 175.26 175.59 3khx s VAL 375 N -1.09 5.37 -0.40 2.63 1.01 -1.26 -0.60 120.40 126.05 3khx s VAL 375 Ca 0.19 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3khx s VAL 375 Cb -0.11 -3.51 0.11 0.00 0.00 0.00 0.00 36.38 32.87 3khx s VAL 375 CO 0.10 0.40 0.14 -0.75 0.00 0.00 0.00 175.10 174.99 3khx s LYS 376 N 0.61 1.53 0.23 2.72 2.47 -0.58 -5.00 119.74 121.72 3khx s LYS 376 Ca 0.09 -2.03 -0.31 0.00 -1.56 0.00 0.00 55.97 52.16 3khx s LYS 376 Cb -0.12 -3.01 -0.11 0.00 -1.46 0.00 0.00 37.83 33.13 3khx s LYS 376 CO 0.01 -1.02 1.60 -0.51 0.16 0.00 0.00 175.35 175.59 3khx s LEU 377 N 0.55 4.36 0.00 5.43 1.02 -1.26 -1.83 118.68 126.95 3khx s LEU 377 Ca 0.13 2.80 0.00 0.00 0.02 0.00 0.00 54.13 57.09 3khx s LEU 377 Cb -0.22 -3.61 0.00 0.00 0.02 0.00 0.00 46.19 42.38 3khx s LEU 377 CO -0.07 -0.88 0.00 0.61 0.02 0.00 0.00 176.35 176.04 3khx n GLY 378 N 3.08 1.36 3.82 -3.19 0.00 0.27 -4.93 105.19 105.60 3khx n GLY 378 Ca 0.12 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 3khx n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3khx s LYS 379 N 2.45 4.18 -0.23 1.61 2.20 -1.23 -4.86 119.74 123.87 3khx s LYS 379 Ca 0.00 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 56.40 3khx s LYS 379 Cb 0.00 -2.92 0.05 0.00 -1.51 0.00 0.00 37.83 33.45 3khx s LYS 379 CO 0.00 0.43 -0.12 0.08 -0.36 0.00 0.00 175.35 175.38 3khx s VAL 380 N -1.48 1.98 -0.34 4.02 1.01 -1.26 -2.65 120.40 121.68 3khx s VAL 380 Ca 0.41 -1.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3khx s VAL 380 Cb -0.16 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.24 3khx s VAL 380 CO 0.20 0.10 0.07 -1.58 0.00 0.00 0.00 175.10 173.90 3khx s GLN 381 N 1.22 2.13 0.85 2.72 0.74 -0.52 -5.03 119.66 121.77 3khx s GLN 381 Ca -0.05 -1.55 -0.11 0.00 0.05 0.00 0.00 55.36 53.70 3khx s GLN 381 Cb -0.18 -3.31 0.10 0.00 1.10 0.00 0.00 33.01 30.72 3khx s GLN 381 CO -0.07 -0.82 1.09 -2.14 -0.55 0.00 0.00 175.29 172.80 3khx s PRO 382 N 1.16 1.65 0.32 1.67 0.02 -1.26 -1.50 135.00 137.06 3khx s PRO 382 Ca 0.02 0.90 -0.28 0.00 0.02 0.00 0.00 61.00 61.66 3khx s PRO 382 Cb -0.21 -1.85 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 3khx s PRO 382 CO -0.03 -1.99 1.15 -2.30 -0.33 0.00 0.00 177.00 173.50 3khx n PRO 383 N -3.72 1.75 -3.44 5.54 -0.02 -1.26 -4.60 135.00 129.25 3khx n PRO 383 Ca 0.08 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 62.06 3khx n PRO 383 Cb 0.55 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3khx n PRO 383 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3khx s HIS 384 N -1.09 -0.50 0.03 6.00 -3.43 -0.58 -4.91 115.29 110.80 3khx s HIS 384 Ca 0.57 0.33 -0.17 0.00 -0.80 0.00 0.00 55.06 54.99 3khx s HIS 384 Cb -0.62 0.55 -0.06 0.00 -1.43 0.00 0.00 32.58 31.02 3khx s HIS 384 CO 0.61 -0.78 0.50 -0.47 -2.00 0.00 0.00 174.74 172.60 3khx s TYR 385 N -3.53 3.75 -0.42 0.38 6.14 -1.26 0.47 117.35 122.89 3khx s TYR 385 Ca 0.01 1.13 0.02 0.00 0.64 0.00 0.00 57.07 58.87 3khx s TYR 385 Cb -0.01 -2.42 0.12 0.00 0.42 0.00 0.00 41.96 40.07 3khx s TYR 385 CO -0.11 0.57 0.18 0.08 0.64 0.00 0.00 175.55 176.91 3khx s VAL 386 N -0.94 1.79 0.20 3.14 1.01 -1.26 -4.92 120.40 119.42 3khx s VAL 386 Ca 0.27 -2.52 -0.10 0.00 0.00 0.00 0.00 61.98 59.62 3khx s VAL 386 Cb -0.18 -2.28 0.14 0.00 0.00 0.00 0.00 36.38 34.07 3khx s VAL 386 CO 0.16 -0.78 1.72 -2.24 0.00 0.00 0.00 175.10 173.97 3khx h ASP 387 N 7.07 0.09 0.00 3.32 -0.00 -1.95 0.33 116.42 125.28 3khx h ASP 387 Ca -0.06 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 3khx h ASP 387 Cb 0.95 0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.39 3khx h ASP 387 CO 0.54 0.06 0.24 1.17 -0.00 0.00 0.00 179.24 181.26 3khx n LYS 388 N -5.07 0.05 -0.00 4.15 4.81 -1.26 0.38 118.16 121.22 3khx n LYS 388 Ca 0.08 0.46 0.04 0.00 -0.87 0.00 0.00 58.31 58.01 3khx n LYS 388 Cb 0.28 -1.91 -0.05 0.00 0.02 0.00 0.00 35.03 33.37 3khx n LYS 388 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3khx n ASN 389 N -1.73 1.15 -4.71 3.14 5.03 0.11 -4.96 115.26 113.29 3khx n ASN 389 Ca -0.01 -0.49 -0.42 0.00 0.87 0.00 0.00 54.58 54.53 3khx n ASN 389 Cb 0.25 1.10 -0.03 0.00 -1.02 0.00 0.00 39.78 40.09 3khx n ASN 389 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3khx s ASP 390 N -2.06 6.94 0.29 6.41 -1.08 0.16 -4.92 116.67 122.40 3khx s ASP 390 Ca 0.01 2.19 -0.03 0.00 -0.52 0.00 0.00 52.55 54.20 3khx s ASP 390 Cb 0.06 -2.58 0.41 0.00 -1.46 0.00 0.00 42.92 39.34 3khx s ASP 390 CO 0.32 -0.57 1.96 1.55 0.52 0.00 0.00 175.17 178.95 3khx h PRO 391 N 6.81 1.13 -0.27 4.34 0.13 -1.94 -1.41 132.00 140.79 3khx h PRO 391 Ca -0.42 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 3khx h PRO 391 Cb 1.21 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3khx h PRO 391 CO 0.84 0.75 -0.52 0.35 -0.23 0.00 0.00 178.00 179.19 3khx h PHE 392 N 1.17 1.04 -0.38 1.56 3.57 -1.91 -2.46 116.94 119.52 3khx h PHE 392 Ca 0.31 -0.38 0.06 0.00 3.53 0.00 0.00 57.97 61.50 3khx h PHE 392 Cb -0.13 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.36 3khx h PHE 392 CO 0.00 1.19 0.06 0.28 -2.23 0.00 0.00 178.31 177.61 3khx h VAL 393 N 0.60 0.78 -0.76 1.41 2.07 -1.70 -1.35 116.25 117.30 3khx h VAL 393 Ca 0.01 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.53 3khx h VAL 393 Cb 1.13 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3khx h VAL 393 CO 0.12 0.03 0.45 1.56 0.02 0.00 0.00 177.57 179.75 3khx h GLN 394 N 0.17 0.81 0.00 1.57 4.20 -1.11 0.38 115.11 121.13 3khx h GLN 394 Ca 0.19 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3khx h GLN 394 Cb 0.23 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3khx h GLN 394 CO -0.26 0.54 -0.08 0.87 -0.67 0.00 0.00 178.83 179.23 3khx h LYS 395 N 0.84 0.00 0.07 1.46 1.57 -0.98 -2.03 116.57 117.49 3khx h LYS 395 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3khx h LYS 395 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3khx h LYS 395 CO -0.17 0.08 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.69 3khx h LEU 396 N 0.00 -0.08 -1.23 2.94 4.07 0.79 -1.68 115.31 120.12 3khx h LEU 396 Ca -0.00 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.42 3khx h LEU 396 Cb 0.38 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3khx h LEU 396 CO 0.01 0.57 0.14 1.62 -1.08 0.00 0.00 178.44 179.70 3khx h VAL 397 N -0.81 0.00 0.00 1.22 3.04 -0.70 -1.86 116.25 117.15 3khx h VAL 397 Ca -0.01 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.56 3khx h VAL 397 Cb 0.61 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.29 3khx h VAL 397 CO 0.02 0.00 -0.68 0.74 -1.01 0.00 0.00 177.57 176.63 3khx h THR 398 N 0.00 1.21 -0.80 3.17 2.02 -1.09 -3.30 112.91 114.11 3khx h THR 398 Ca 0.00 -2.16 0.17 0.00 0.77 0.00 0.00 66.41 65.19 3khx h THR 398 Cb 0.28 2.54 -0.11 0.00 -1.74 0.00 0.00 68.15 69.12 3khx h THR 398 CO 0.00 0.41 0.28 0.00 0.37 0.00 0.00 175.52 176.58 3khx h ALA 399 N -0.33 1.14 0.67 6.16 0.00 -0.51 1.00 119.26 127.39 3khx h ALA 399 Ca -0.18 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3khx h ALA 399 Cb 1.11 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3khx h ALA 399 CO -0.11 -0.30 -0.48 -0.92 0.00 0.00 0.00 179.25 177.44 3khx h TYR 400 N 0.36 -1.30 -0.65 0.00 3.20 -1.59 0.20 116.97 117.20 3khx h TYR 400 Ca 0.46 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.40 3khx h TYR 400 Cb 0.79 0.48 -0.06 0.00 1.54 0.00 0.00 36.73 39.48 3khx h TYR 400 CO -0.20 -0.69 0.33 0.00 -1.64 0.00 0.00 178.16 175.97 3khx h ARG 401 N -1.10 0.58 -0.77 1.82 3.08 -1.43 0.87 114.38 117.44 3khx h ARG 401 Ca -0.09 -0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.10 3khx h ARG 401 Cb 0.90 -0.13 -0.14 0.00 0.08 0.00 0.00 29.97 30.68 3khx h ARG 401 CO 0.05 0.38 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.39 3khx h ASN 402 N 0.60 -0.43 -1.31 7.04 2.35 0.15 0.29 115.58 124.27 3khx h ASN 402 Ca 0.30 0.21 -0.69 0.00 -0.55 0.00 0.00 56.30 55.57 3khx h ASN 402 Cb 0.26 0.38 -0.16 0.00 0.05 0.00 0.00 38.32 38.84 3khx h ASN 402 CO -0.22 -0.20 1.66 0.00 -1.65 0.00 0.00 177.43 177.02 3khx n GLN 403 N -5.38 4.07 0.00 0.81 6.02 0.67 -5.07 117.38 118.49 3khx n GLN 403 Ca 0.13 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.79 3khx n GLN 403 Cb 0.47 -2.47 0.00 0.00 1.02 0.00 0.00 30.24 29.26 3khx n GLN 403 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3khx n THR 404 N 1.17 0.00 0.00 5.09 -1.04 0.10 -4.87 114.28 114.73 3khx n THR 404 Ca 0.57 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.58 3khx n THR 404 Cb 0.32 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 3khx n THR 404 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3khx n GLN 441 N 0.00 0.00 -4.26 -2.82 0.00 -1.26 -5.01 117.38 104.03 3khx n GLN 441 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.00 56.81 3khx n GLN 441 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.09 3khx n GLN 441 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 3khx s LYS 442 N 0.00 0.72 -1.41 2.61 0.00 -1.26 -4.84 119.74 115.57 3khx s LYS 442 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 55.97 55.75 3khx s LYS 442 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 37.83 37.13 3khx s LYS 442 CO 0.00 0.07 0.10 0.09 0.00 0.00 0.00 175.35 175.62 3khx n ASN 443 N 3.32 -5.04 -4.66 0.03 3.02 -1.26 -4.87 115.26 105.80 3khx n ASN 443 Ca -0.18 -0.06 -0.50 0.00 -0.03 0.00 0.00 54.58 53.81 3khx n ASN 443 Cb 0.55 -4.09 -0.05 0.00 -0.61 0.00 0.00 39.78 35.58 3khx n ASN 443 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3khx n GLU 444 N -2.78 1.77 -4.03 3.52 2.13 -1.26 -4.79 120.64 115.20 3khx n GLU 444 Ca -0.18 0.64 -0.08 0.00 0.66 0.00 0.00 57.16 58.21 3khx n GLU 444 Cb 0.64 -2.39 -0.10 0.00 0.27 0.00 0.00 31.44 29.87 3khx n GLU 444 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 3khx s TYR 445 N 2.15 0.41 -0.06 4.31 2.02 -1.26 -0.11 117.35 124.81 3khx s TYR 445 Ca 0.87 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3khx s TYR 445 Cb -0.81 -0.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.47 3khx s TYR 445 CO 0.48 -0.40 -0.08 -1.50 -1.57 0.00 0.00 175.55 172.49 3khx s ILE 446 N -3.64 0.84 0.61 2.71 2.07 -0.83 -4.63 121.20 118.33 3khx s ILE 446 Ca 0.04 -0.29 -0.19 0.00 -1.41 0.00 0.00 60.65 58.80 3khx s ILE 446 Cb 0.06 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 3khx s ILE 446 CO -0.09 0.29 1.21 0.35 -1.91 0.00 0.00 174.94 174.80 3khx n THR 447 N 4.02 4.38 0.26 4.00 -2.24 -1.26 -1.66 114.28 121.77 3khx n THR 447 Ca -0.23 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 60.90 3khx n THR 447 Cb 0.51 -1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 67.23 3khx n THR 447 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3khx h LYS 448 N 0.71 -0.59 -1.00 -0.78 1.57 -1.45 -1.94 116.57 113.08 3khx h LYS 448 Ca -0.50 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 58.54 3khx h LYS 448 Cb 1.34 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.68 3khx h LYS 448 CO 0.53 -0.35 0.62 0.87 -0.57 0.00 0.00 179.45 180.56 3khx h LYS 449 N -0.71 0.57 -0.17 3.15 1.57 -1.92 0.51 116.57 119.56 3khx h LYS 449 Ca -0.06 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.50 3khx h LYS 449 Cb 0.52 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3khx h LYS 449 CO 0.10 0.38 -0.65 0.37 -0.57 0.00 0.00 179.45 179.08 3khx h GLN 450 N 0.58 0.64 -0.51 3.15 4.15 -1.90 0.34 115.11 121.56 3khx h GLN 450 Ca 0.59 -0.46 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3khx h GLN 450 Cb 1.17 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.91 3khx h GLN 450 CO -0.36 1.08 0.06 1.25 -1.93 0.00 0.00 178.83 178.94 3khx h LEU 451 N 0.47 0.78 0.22 -2.39 5.85 0.61 -2.49 115.31 118.35 3khx h LEU 451 Ca -0.02 -0.17 -0.32 0.00 0.84 0.00 0.00 57.88 58.21 3khx h LEU 451 Cb 1.24 -0.20 0.03 0.00 0.37 0.00 0.00 40.66 42.09 3khx h LEU 451 CO 0.13 0.81 -1.45 -0.26 -0.34 0.00 0.00 178.44 177.32 3khx h PHE 452 N 0.78 0.84 0.33 1.25 0.04 0.04 -3.10 116.94 117.12 3khx h PHE 452 Ca 0.16 -0.62 -0.00 0.00 2.80 0.00 0.00 57.97 60.31 3khx h PHE 452 Cb 0.38 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 3khx h PHE 452 CO 0.02 1.51 -0.48 -0.91 -0.60 0.00 0.00 178.31 177.85 3khx h ASN 453 N 0.13 -1.37 -0.71 2.17 -0.26 -0.34 -1.92 115.58 113.28 3khx h ASN 453 Ca -0.24 0.13 0.21 0.00 -0.56 0.00 0.00 56.30 55.84 3khx h ASN 453 Cb 2.12 0.48 -0.03 0.00 -1.06 0.00 0.00 38.32 39.83 3khx h ASN 453 CO 0.25 -0.59 0.64 0.00 -1.06 0.00 0.00 177.43 176.66 3khx h ALA 454 N -0.60 2.54 0.01 -0.83 0.00 -1.52 0.59 119.26 119.45 3khx h ALA 454 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3khx h ALA 454 Cb 0.79 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3khx h ALA 454 CO -0.15 -1.00 -0.06 1.15 0.00 0.00 0.00 179.25 179.19 3khx h THR 455 N 0.00 1.77 -0.04 0.00 2.02 -1.39 -2.31 112.91 112.96 3khx h THR 455 Ca 0.34 -2.33 0.01 0.00 0.77 0.00 0.00 66.41 65.20 3khx h THR 455 Cb 1.61 3.35 -0.00 0.00 -1.74 0.00 0.00 68.15 71.36 3khx h THR 455 CO -0.00 0.61 0.03 0.77 0.37 0.00 0.00 175.52 177.29 3khx h SER 456 N -0.94 0.00 -0.02 4.18 4.64 -0.25 0.42 113.55 121.59 3khx h SER 456 Ca -0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3khx h SER 456 Cb 1.03 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3khx h SER 456 CO 0.01 0.00 -0.63 0.40 -0.87 0.00 0.00 176.83 175.74 3khx h ILE 457 N 0.00 1.40 -0.84 0.95 2.04 0.06 -2.73 117.51 118.39 3khx h ILE 457 Ca 0.02 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.83 3khx h ILE 457 Cb 0.08 2.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 3khx h ILE 457 CO -0.00 0.60 0.54 1.88 0.00 0.00 0.00 178.15 181.17 3khx h TYR 458 N -0.00 1.08 0.09 1.37 0.05 -1.11 -2.27 116.97 116.19 3khx h TYR 458 Ca -0.07 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.74 3khx h TYR 458 Cb 1.32 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 38.66 3khx h TYR 458 CO 0.13 0.70 -0.41 1.25 -1.05 0.00 0.00 178.16 178.78 3khx h LEU 459 N 1.15 -1.21 -0.85 3.88 5.85 -0.82 0.84 115.31 124.15 3khx h LEU 459 Ca 0.31 0.14 -0.12 0.00 0.84 0.00 0.00 57.88 59.04 3khx h LEU 459 Cb -0.09 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3khx h LEU 459 CO -0.06 -0.48 -0.57 1.05 -0.34 0.00 0.00 178.44 178.04 3khx h GLU 460 N -0.63 0.00 0.32 1.25 4.11 -1.45 -0.23 114.58 117.95 3khx h GLU 460 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 3khx h GLU 460 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3khx h GLU 460 CO -0.25 0.57 -0.15 0.00 0.07 0.00 0.00 179.01 179.24 3khx h ALA 461 N 1.43 -0.42 -0.80 1.06 0.00 -0.97 -0.31 119.26 119.25 3khx h ALA 461 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3khx h ALA 461 Cb 1.02 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3khx h ALA 461 CO 0.07 -0.68 0.38 0.82 0.00 0.00 0.00 179.25 179.84 3khx h ILE 462 N -0.54 1.25 0.05 0.00 2.04 -0.78 -3.03 117.51 116.50 3khx h ILE 462 Ca -0.04 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3khx h ILE 462 Cb 0.40 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3khx h ILE 462 CO 0.07 0.30 -0.02 0.22 0.00 0.00 0.00 178.15 178.72 3khx h TYR 463 N 1.15 -0.06 -0.70 1.37 3.20 -0.90 -0.44 116.97 120.59 3khx h TYR 463 Ca 0.28 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.24 3khx h TYR 463 Cb 0.13 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.37 3khx h TYR 463 CO 0.01 0.04 0.46 0.66 -1.64 0.00 0.00 178.16 177.69 3khx h SER 464 N -0.15 0.51 -0.06 -2.11 4.64 -0.93 -1.86 113.55 113.60 3khx h SER 464 Ca -0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3khx h SER 464 Cb 0.13 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3khx h SER 464 CO 0.01 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 3khx n LEU 465 N -4.49 1.79 -0.00 5.97 -0.00 -1.16 -3.23 117.00 115.88 3khx n LEU 465 Ca 0.11 -1.32 0.02 0.00 -0.00 0.00 0.00 56.01 54.82 3khx n LEU 465 Cb 0.35 -0.04 -0.03 0.00 -0.00 0.00 0.00 43.42 43.70 3khx n LEU 465 CO 0.33 0.41 -0.51 0.00 -0.00 0.00 0.00 177.39 177.62 3khx n VAL 467 N -1.60 1.21 -3.53 0.00 0.31 -0.71 0.21 118.33 114.21 3khx n VAL 467 Ca -0.01 0.15 -0.07 0.00 -0.01 0.00 0.00 64.34 64.40 3khx n VAL 467 Cb 0.10 -1.90 -0.02 0.00 -0.91 0.00 0.00 33.84 31.11 3khx n VAL 467 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3khx s GLU 468 N -2.40 0.65 0.00 5.55 0.41 -1.16 -4.68 118.70 117.07 3khx s GLU 468 Ca -0.16 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 54.17 3khx s GLU 468 Cb 0.03 0.30 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 3khx s GLU 468 CO 0.22 -0.28 0.00 -0.85 -0.49 0.00 0.00 175.26 173.86