#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khx h MET 1 N 0.00 0.39 0.71 1.43 1.85 -2.02 -2.35 114.93 114.95 3khx h MET 1 Ca 0.00 -0.37 -0.03 0.00 -0.61 0.00 0.00 59.70 58.69 3khx h MET 1 Cb 0.00 0.09 0.01 0.00 0.43 0.00 0.00 31.60 32.13 3khx h MET 1 CO 0.00 1.03 -0.34 -1.49 -0.40 0.00 0.00 176.91 175.70 3khx h TRP 2 N 0.25 -0.89 -0.99 1.39 -0.00 -1.98 -2.33 115.95 111.39 3khx h TRP 2 Ca -0.05 -0.02 0.14 0.00 -0.00 0.00 0.00 58.89 58.96 3khx h TRP 2 Cb 1.43 0.29 -0.09 0.00 -0.00 0.00 0.00 29.16 30.80 3khx h TRP 2 CO 0.05 -0.53 0.62 -0.22 -0.00 0.00 0.00 178.44 178.36 3khx h LYS 3 N -1.08 0.88 -0.00 0.49 3.64 -1.87 0.27 116.57 118.90 3khx h LYS 3 Ca -0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3khx h LYS 3 Cb 0.76 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3khx h LYS 3 CO 0.16 0.58 -0.23 -0.85 -2.27 0.00 0.00 179.45 176.84 3khx n GLU 4 N -4.64 0.54 0.09 1.90 0.28 -0.89 -2.82 120.64 115.10 3khx n GLU 4 Ca 0.20 -0.25 -0.08 0.00 -0.16 0.00 0.00 57.16 56.86 3khx n GLU 4 Cb 0.42 -1.49 -0.04 0.00 1.43 0.00 0.00 31.44 31.75 3khx n GLU 4 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3khx h LYS 5 N 0.62 0.11 0.00 3.44 3.64 0.09 -3.12 116.57 121.36 3khx h LYS 5 Ca 0.00 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3khx h LYS 5 Cb 0.45 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3khx h LYS 5 CO 0.00 0.96 -0.33 0.28 -2.27 0.00 0.00 179.45 178.09 3khx h VAL 6 N 0.05 0.64 -0.85 2.00 2.07 -1.22 -3.20 116.25 115.75 3khx h VAL 6 Ca -0.04 -1.63 0.05 0.00 0.82 0.00 0.00 66.70 65.89 3khx h VAL 6 Cb 1.60 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 3khx h VAL 6 CO 0.13 0.33 0.55 1.56 0.02 0.00 0.00 177.57 180.16 3khx h GLN 7 N 0.00 0.98 0.00 1.57 7.50 -1.45 -2.10 115.11 121.60 3khx h GLN 7 Ca -0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 3khx h GLN 7 Cb 1.08 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 28.39 3khx h GLN 7 CO 0.04 0.65 0.00 1.04 -1.50 0.00 0.00 178.83 179.06 3khx n GLN 8 N -4.46 0.17 -0.24 1.46 6.02 -1.21 -2.94 117.38 116.18 3khx n GLN 8 Ca 0.12 0.40 0.06 0.00 -0.01 0.00 0.00 57.00 57.57 3khx n GLN 8 Cb 0.15 -1.83 0.17 0.00 1.02 0.00 0.00 30.24 29.75 3khx n GLN 8 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3khx n TYR 9 N -2.16 0.54 -0.05 1.08 4.01 -0.80 -4.80 117.16 114.98 3khx n TYR 9 Ca 0.02 -0.68 -0.09 0.00 -0.16 0.00 0.00 57.90 57.00 3khx n TYR 9 Cb 0.23 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.53 0.19 -0.28 -0.72 5.08 -1.50 -1.96 114.58 116.91 3khx h GLU 10 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3khx h GLU 10 Cb 0.98 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3khx h GLU 10 CO 0.08 0.12 0.16 -0.44 -1.00 0.00 0.00 179.01 177.94 3khx h ASP 11 N 0.19 0.27 -0.76 1.42 3.32 -1.87 -2.38 116.42 116.61 3khx h ASP 11 Ca 0.10 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3khx h ASP 11 Cb 0.06 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3khx h ASP 11 CO -0.10 0.20 0.33 1.56 -1.72 0.00 0.00 179.24 179.51 3khx h GLN 12 N 0.34 1.12 0.15 3.56 4.20 -1.89 -0.88 115.11 121.72 3khx h GLN 12 Ca 0.11 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3khx h GLN 12 Cb -0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 3khx h GLN 12 CO -0.05 0.90 -0.07 0.82 -0.67 0.00 0.00 178.83 179.75 3khx h ILE 13 N 1.09 0.89 -0.71 2.54 2.04 -1.17 -1.92 117.51 120.26 3khx h ILE 13 Ca 0.26 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3khx h ILE 13 Cb 0.18 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3khx h ILE 13 CO -0.03 0.04 0.35 -0.29 0.00 0.00 0.00 178.15 178.22 3khx h ILE 14 N -0.28 1.23 -0.09 -0.67 6.09 -1.26 -1.28 117.51 121.25 3khx h ILE 14 Ca -0.02 -0.63 0.01 0.00 -1.37 0.00 0.00 64.86 62.85 3khx h ILE 14 Cb 0.22 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 37.84 3khx h ILE 14 CO 0.03 0.27 0.02 0.78 -3.07 0.00 0.00 178.15 176.18 3khx h ASN 15 N 0.99 0.02 -0.56 2.19 2.35 -1.07 0.12 115.58 119.61 3khx h ASN 15 Ca 0.25 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3khx h ASN 15 Cb 0.10 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3khx h ASN 15 CO -0.03 0.03 0.30 0.44 -1.65 0.00 0.00 177.43 176.52 3khx h ASP 16 N 0.06 0.71 -0.83 5.81 3.32 -1.25 -1.61 116.42 122.63 3khx h ASP 16 Ca 0.04 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3khx h ASP 16 Cb 0.02 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 3khx h ASP 16 CO -0.04 0.60 0.55 0.25 -1.72 0.00 0.00 179.24 178.88 3khx h LEU 17 N 0.76 0.96 0.06 1.55 5.85 -1.04 -1.14 115.31 122.31 3khx h LEU 17 Ca 0.20 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3khx h LEU 17 Cb 0.05 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3khx h LEU 17 CO -0.03 0.69 -0.04 0.11 -0.34 0.00 0.00 178.44 178.83 3khx h LYS 18 N 1.13 -0.10 -0.83 1.25 1.57 -0.56 0.24 116.57 119.28 3khx h LYS 18 Ca 0.31 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.28 3khx h LYS 18 Cb -0.13 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.09 3khx h LYS 18 CO -0.07 -0.06 0.32 0.78 -0.57 0.00 0.00 179.45 179.85 3khx h GLY 19 N -0.10 1.32 1.10 3.86 0.00 -0.93 -0.15 103.07 108.17 3khx h GLY 19 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 47.33 46.95 3khx h GLY 19 CO 0.01 -0.20 -0.93 -2.00 0.00 0.00 0.00 176.54 173.42 3khx h LEU 20 N 0.40 0.83 -1.20 3.11 5.85 -0.48 -3.17 115.31 120.64 3khx h LEU 20 Ca 0.49 -0.74 -0.04 0.00 0.84 0.00 0.00 57.88 58.43 3khx h LEU 20 Cb 0.86 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3khx h LEU 20 CO -0.49 1.46 0.10 -0.07 -0.34 0.00 0.00 178.44 179.09 3khx h LEU 21 N 0.28 0.60 -0.61 2.25 3.38 -0.20 -2.81 115.31 118.20 3khx h LEU 21 Ca -0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3khx h LEU 21 Cb 1.59 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3khx h LEU 21 CO 0.18 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.32 3khx n ALA 22 N -2.47 1.41 -2.69 1.53 0.00 -0.10 -4.56 120.51 113.62 3khx n ALA 22 Ca 0.03 0.07 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 3khx n ALA 22 Cb 0.21 -1.28 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 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 -3.25 5.15 -1.28 0.00 1.01 -1.06 -4.90 121.20 116.87 3khx s ILE 23 Ca 0.03 0.94 -0.13 0.00 0.00 0.00 0.00 60.65 61.48 3khx s ILE 23 Cb 0.07 -3.82 0.13 0.00 0.01 0.00 0.00 42.46 38.85 3khx s ILE 23 CO 0.25 0.26 1.73 1.21 0.00 0.00 0.00 174.94 178.39 3khx n GLU 24 N 4.19 3.35 -1.76 2.79 2.13 -1.26 -4.85 120.64 125.22 3khx n GLU 24 Ca -0.06 -3.49 -0.37 0.00 0.66 0.00 0.00 57.16 53.91 3khx n GLU 24 Cb 0.51 -3.12 -0.02 0.00 0.27 0.00 0.00 31.44 29.07 3khx n GLU 24 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3khx n SER 25 N 5.66 7.79 -4.80 4.31 3.41 -1.26 -4.44 113.62 124.30 3khx n SER 25 Ca 0.42 -3.03 -0.38 0.00 -0.26 0.00 0.00 58.87 55.61 3khx n SER 25 Cb 0.41 -1.37 -0.06 0.00 -0.26 0.00 0.00 64.21 62.93 3khx n SER 25 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3khx s VAL 26 N -0.72 4.87 0.18 -3.33 1.01 -1.26 -0.18 120.40 120.98 3khx s VAL 26 Ca 0.58 1.12 -0.33 0.00 0.00 0.00 0.00 61.98 63.35 3khx s VAL 26 Cb 0.22 -3.86 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 3khx s VAL 26 CO -0.11 0.51 1.22 -1.14 0.00 0.00 0.00 175.10 175.59 3khx n ARG 27 N 2.11 1.34 -3.49 2.72 0.63 -1.26 -4.48 116.66 114.22 3khx n ARG 27 Ca -0.10 0.48 -0.22 0.00 -0.92 0.00 0.00 57.85 57.08 3khx n ARG 27 Cb 0.51 -2.02 -0.13 0.00 0.45 0.00 0.00 32.46 31.28 3khx n ARG 27 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3khx s ASP 28 N 0.09 2.34 0.32 6.15 -1.08 -0.46 -4.99 116.67 119.04 3khx s ASP 28 Ca 0.73 -0.82 0.17 0.00 -0.52 0.00 0.00 52.55 52.11 3khx s ASP 28 Cb -0.82 0.11 0.15 0.00 -1.46 0.00 0.00 42.92 40.90 3khx s ASP 28 CO 0.51 -0.39 1.49 0.44 0.52 0.00 0.00 175.17 177.75 3khx h ASP 29 N 8.34 0.00 0.61 -0.34 3.32 -1.93 -2.44 116.42 123.98 3khx h ASP 29 Ca -0.17 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 3khx h ASP 29 Cb 1.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3khx h ASP 29 CO 0.36 0.37 -0.74 0.00 -1.72 0.00 0.00 179.24 177.51 3khx h ALA 30 N 1.63 0.74 -0.54 3.45 0.00 -1.94 -3.24 119.26 119.36 3khx h ALA 30 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3khx h ALA 30 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3khx h ALA 30 CO 0.05 0.87 0.00 1.63 0.00 0.00 0.00 179.25 181.79 3khx n LYS 31 N -3.72 2.52 -0.92 0.00 5.02 -1.25 -5.00 118.16 114.82 3khx n LYS 31 Ca -0.02 -2.33 -0.31 0.00 -2.02 0.00 0.00 58.31 53.63 3khx n LYS 31 Cb 0.71 -1.52 0.15 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.29 1.49 0.16 7.82 0.00 -1.22 -4.65 121.76 124.08 3khx s ALA 32 Ca 0.42 0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.62 3khx s ALA 32 Cb 0.23 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 20.05 3khx s ALA 32 CO 0.31 -2.53 0.44 -1.13 0.00 0.00 0.00 175.76 172.84 3khx n SER 33 N -4.05 -1.05 -0.22 0.00 3.41 -0.02 -4.94 113.62 106.75 3khx n SER 33 Ca 0.09 -1.68 -0.03 0.00 -0.26 0.00 0.00 58.87 56.99 3khx n SER 33 Cb 0.53 1.74 0.15 0.00 -0.26 0.00 0.00 64.21 66.37 3khx n SER 33 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3khx h GLU 34 N 0.00 1.02 0.00 4.33 4.81 -1.96 -0.70 114.58 122.07 3khx h GLU 34 Ca -0.16 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 3khx h GLU 34 Cb 0.61 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3khx h GLU 34 CO 0.20 0.82 -0.31 -0.44 -0.73 0.00 0.00 179.01 178.55 3khx h ASP 35 N 1.00 0.00 -1.93 1.04 3.32 -1.95 -3.38 116.42 114.52 3khx h ASP 35 Ca 0.24 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.79 3khx h ASP 35 Cb 0.17 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.39 3khx h ASP 35 CO -0.02 0.31 -0.91 0.00 -1.72 0.00 0.00 179.24 176.89 3khx n ALA 36 N -2.26 1.79 0.30 3.45 0.00 -0.50 -4.88 120.51 118.41 3khx n ALA 36 Ca 0.00 -2.76 0.17 0.00 0.00 0.00 0.00 53.44 50.85 3khx n ALA 36 Cb 0.48 -0.91 0.82 0.00 0.00 0.00 0.00 19.45 19.84 3khx n ALA 36 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3khx h PRO 37 N 5.04 0.00 0.00 0.00 0.13 -1.36 0.28 132.00 136.09 3khx h PRO 37 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 3khx h PRO 37 Cb 0.94 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 3khx h PRO 37 CO 0.34 0.00 -0.30 1.33 -0.23 0.00 0.00 178.00 179.14 3khx n VAL 38 N -2.79 1.40 0.00 1.56 0.24 -1.26 -4.67 118.33 112.80 3khx n VAL 38 Ca -0.01 -1.89 0.00 0.00 -2.04 0.00 0.00 64.34 60.40 3khx n VAL 38 Cb 0.17 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.91 2.72 0.14 7.63 0.00 -0.55 -1.35 105.19 112.86 3khx n GLY 39 Ca 0.12 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 0.37 -0.23 1.61 0.13 -1.82 -3.01 132.00 129.05 3khx h PRO 40 Ca 0.00 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3khx h PRO 40 Cb 0.00 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 30.99 3khx h PRO 40 CO 0.00 0.31 -0.50 0.78 -0.23 0.00 0.00 178.00 178.36 3khx h GLY 41 N 0.33 -1.12 1.36 1.56 0.00 -1.82 -0.95 103.07 102.43 3khx h GLY 41 Ca 0.10 0.70 -0.08 0.00 0.00 0.00 0.00 47.33 48.05 3khx h GLY 41 CO -0.02 -0.21 -0.05 -2.55 0.00 0.00 0.00 176.54 173.71 3khx h PRO 42 N -0.46 0.78 -0.46 4.80 0.11 -1.77 -2.25 132.00 132.74 3khx h PRO 42 Ca 0.04 -0.23 0.09 0.00 0.11 0.00 0.00 66.00 66.01 3khx h PRO 42 Cb 0.59 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 31.54 3khx h PRO 42 CO -0.46 0.82 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.05 3khx h ARG 43 N 0.71 0.10 -0.36 1.05 9.65 -1.31 -0.92 114.38 123.30 3khx h ARG 43 Ca 0.13 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.92 3khx h ARG 43 Cb 0.51 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 3khx h ARG 43 CO 0.03 0.07 -0.14 0.87 2.80 0.00 0.00 179.97 183.59 3khx h LYS 44 N 0.10 0.64 -0.62 0.20 1.57 -0.61 -1.60 116.57 116.25 3khx h LYS 44 Ca 0.23 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3khx h LYS 44 Cb 0.34 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3khx h LYS 44 CO -0.40 0.76 0.18 0.00 -0.57 0.00 0.00 179.45 179.42 3khx h ALA 45 N 1.27 0.82 0.06 3.86 0.00 -1.06 0.13 119.26 124.34 3khx h ALA 45 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3khx h ALA 45 Cb 0.58 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3khx h ALA 45 CO 0.04 0.50 -0.05 1.25 0.00 0.00 0.00 179.25 180.99 3khx h LEU 46 N 0.90 -0.12 -1.47 0.00 5.85 -0.89 -2.54 115.31 117.02 3khx h LEU 46 Ca 0.20 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3khx h LEU 46 Cb 0.31 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3khx h LEU 46 CO -0.00 -0.08 0.36 0.44 -0.34 0.00 0.00 178.44 178.82 3khx h ASP 47 N -0.12 0.61 -0.40 1.25 3.32 -1.02 -2.05 116.42 118.02 3khx h ASP 47 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3khx h ASP 47 Cb 0.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3khx h ASP 47 CO -0.01 0.44 0.26 0.22 -1.72 0.00 0.00 179.24 178.44 3khx h TYR 48 N 0.72 0.50 -0.80 4.55 3.20 -0.52 0.38 116.97 125.01 3khx h TYR 48 Ca 0.20 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.18 3khx h TYR 48 Cb -0.06 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 37.96 3khx h TYR 48 CO -0.00 0.31 0.45 0.52 -1.64 0.00 0.00 178.16 177.80 3khx h MET 49 N 0.54 0.73 -0.26 1.82 2.86 -0.97 -2.03 114.93 117.62 3khx h MET 49 Ca 0.15 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3khx h MET 49 Cb -0.06 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3khx h MET 49 CO -0.03 0.48 -0.04 1.88 1.06 0.00 0.00 176.91 180.26 3khx h TYR 50 N 0.75 0.42 -0.15 -0.22 0.05 -0.74 -1.53 116.97 115.54 3khx h TYR 50 Ca 0.39 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 59.03 3khx h TYR 50 Cb 0.37 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3khx h TYR 50 CO -0.07 0.45 -0.30 0.93 -1.05 0.00 0.00 178.16 178.12 3khx h GLU 51 N 0.39 0.47 -0.12 4.88 5.08 -0.31 0.15 114.58 125.12 3khx h GLU 51 Ca 0.08 -0.30 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3khx h GLU 51 Cb 0.32 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3khx h GLU 51 CO 0.01 0.91 -0.42 -0.84 -1.00 0.00 0.00 179.01 177.67 3khx h ILE 52 N 0.09 1.31 -0.17 3.13 3.07 -1.24 0.43 117.51 124.12 3khx h ILE 52 Ca 0.00 -1.56 -0.00 0.00 1.55 0.00 0.00 64.86 64.86 3khx h ILE 52 Cb 0.89 1.69 -0.01 0.00 -0.27 0.00 0.00 36.82 39.13 3khx h ILE 52 CO 0.07 0.47 0.09 0.00 -1.05 0.00 0.00 178.15 177.73 3khx h ALA 53 N 1.34 0.22 -0.33 0.16 0.00 -1.11 -0.20 119.26 119.34 3khx h ALA 53 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3khx h ALA 53 Cb 0.84 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3khx h ALA 53 CO 0.07 -0.25 0.17 0.45 0.00 0.00 0.00 179.25 179.69 3khx h HIS 54 N 0.18 0.47 -0.95 0.00 3.86 -0.17 0.04 115.15 118.58 3khx h HIS 54 Ca 0.06 -0.02 0.25 0.00 -1.16 0.00 0.00 60.37 59.50 3khx h HIS 54 Cb 0.07 -0.15 -0.13 0.00 1.06 0.00 0.00 27.41 28.26 3khx h HIS 54 CO -0.04 0.40 0.49 -0.09 0.86 0.00 0.00 177.93 179.55 3khx h ARG 55 N 0.41 0.43 -0.60 2.45 2.43 0.02 -0.72 114.38 118.79 3khx h ARG 55 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3khx h ARG 55 Cb 0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3khx h ARG 55 CO -0.02 0.29 0.00 -0.25 -1.51 0.00 0.00 179.97 178.48 3khx n ASP 56 N -5.00 3.50 0.00 -3.80 8.00 -0.10 -4.95 116.55 114.19 3khx n ASP 56 Ca 0.25 -2.19 0.00 0.00 0.71 0.00 0.00 54.79 53.56 3khx n ASP 56 Cb 0.74 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.16 0.70 3.86 0.44 0.00 -0.28 -5.03 105.19 106.05 3khx n GLY 57 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.08 3.51 0.45 1.61 0.08 -0.13 -4.99 117.98 116.43 3khx s PHE 58 Ca 0.00 0.91 -0.20 0.00 0.12 0.00 0.00 56.93 57.76 3khx s PHE 58 Cb 0.00 -2.27 -0.10 0.00 -0.57 0.00 0.00 43.02 40.08 3khx s PHE 58 CO 0.00 0.36 0.97 0.99 -0.10 0.00 0.00 175.22 177.44 3khx s THR 59 N -1.64 4.31 0.17 0.64 2.01 -1.26 -4.17 115.64 115.70 3khx s THR 59 Ca 0.42 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.84 3khx s THR 59 Cb -0.13 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3khx s THR 59 CO 0.20 -0.34 -0.00 0.42 -0.69 0.00 0.00 174.62 174.21 3khx s THR 60 N -2.19 0.67 -0.11 -0.82 -4.23 -1.26 -1.52 115.64 106.17 3khx s THR 60 Ca 0.62 -1.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.11 3khx s THR 60 Cb -0.10 -2.09 0.05 0.00 1.34 0.00 0.00 72.50 71.71 3khx s THR 60 CO 0.16 -0.50 0.24 -2.28 -0.54 0.00 0.00 174.62 171.69 3khx s HIS 61 N -3.66 -0.34 -0.00 3.99 5.04 -0.91 -5.00 115.29 114.41 3khx s HIS 61 Ca 0.23 0.83 -0.02 0.00 -1.54 0.00 0.00 55.06 54.56 3khx s HIS 61 Cb 0.06 -0.02 -0.04 0.00 0.04 0.00 0.00 32.58 32.62 3khx s HIS 61 CO 0.03 -0.28 0.15 0.34 -2.34 0.00 0.00 174.74 172.64 3khx s ASP 62 N 1.82 6.15 -0.44 9.88 2.15 -1.26 -1.64 116.67 133.33 3khx s ASP 62 Ca -0.04 0.28 0.04 0.00 0.43 0.00 0.00 52.55 53.25 3khx s ASP 62 Cb -0.11 -1.88 0.12 0.00 -0.30 0.00 0.00 42.92 40.75 3khx s ASP 62 CO -0.08 0.26 0.18 -0.69 -0.17 0.00 0.00 175.17 174.67 3khx s VAL 63 N -1.30 2.26 -1.94 1.11 1.01 0.53 -4.79 120.40 117.28 3khx s VAL 63 Ca 0.26 -2.83 0.00 0.00 0.00 0.00 0.00 61.98 59.41 3khx s VAL 63 Cb -0.12 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.65 3khx s VAL 63 CO 0.18 -0.74 0.00 0.47 0.00 0.00 0.00 175.10 175.01 3khx n ASP 64 N 3.60 -5.15 -1.31 3.32 8.00 -1.26 -1.90 116.55 121.84 3khx n ASP 64 Ca 0.05 0.37 -0.17 0.00 0.71 0.00 0.00 54.79 55.74 3khx n ASP 64 Cb 0.36 -4.52 -0.07 0.00 -0.02 0.00 0.00 41.12 36.87 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 -2.65 0.00 -0.01 1.24 8.25 -1.26 -4.76 115.22 116.03 3khx n HIS 65 Ca -0.20 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.29 3khx n HIS 65 Cb 0.64 -3.03 -0.06 0.00 1.12 0.00 0.00 29.99 28.66 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 -2.44 0.07 -3.47 1.59 3.06 -0.80 -4.56 119.36 112.80 3khx n ILE 66 Ca -0.17 -0.19 -0.11 0.00 -2.50 0.00 0.00 62.75 59.78 3khx n ILE 66 Cb 0.59 0.17 -0.02 0.00 0.54 0.00 0.00 39.64 40.93 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 -2.47 -1.58 0.03 1.51 0.00 -1.20 -2.46 121.76 115.58 3khx s ALA 67 Ca -0.03 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 3khx s ALA 67 Cb 0.04 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.01 3khx s ALA 67 CO 0.31 -0.79 0.16 0.41 0.00 0.00 0.00 175.76 175.85 3khx n GLY 68 N -0.38 1.24 3.16 0.00 0.00 -0.73 -0.35 105.19 108.14 3khx n GLY 68 Ca -0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 0.66 -0.13 1.61 1.70 -0.65 -0.69 118.95 119.44 3khx s ARG 69 Ca 0.04 -0.66 -0.02 0.00 -0.47 0.00 0.00 55.73 54.61 3khx s ARG 69 Cb -0.00 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.62 3khx s ARG 69 CO 0.01 -0.19 -0.05 0.42 -1.08 0.00 0.00 175.30 174.41 3khx s ILE 70 N -2.56 3.82 -0.10 4.99 1.01 0.06 -2.13 121.20 126.28 3khx s ILE 70 Ca -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 3khx s ILE 70 Cb -0.01 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3khx s ILE 70 CO -0.04 0.53 -0.03 -1.61 0.00 0.00 0.00 174.94 173.79 3khx s GLU 71 N -0.01 3.08 0.25 2.79 2.02 -0.58 -1.68 118.70 124.59 3khx s GLU 71 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.53 3khx s GLU 71 Cb -0.13 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 3khx s GLU 71 CO 0.03 0.57 0.21 0.00 0.02 0.00 0.00 175.26 176.09 3khx s ALA 72 N -0.54 1.35 0.11 5.21 0.00 -0.66 -4.09 121.76 123.14 3khx s ALA 72 Ca 0.09 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.25 3khx s ALA 72 Cb -0.12 1.40 0.00 0.00 0.00 0.00 0.00 23.12 24.40 3khx s ALA 72 CO 0.02 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3khx n GLY 73 N -0.41 -2.09 3.51 0.00 0.00 -1.26 -0.56 105.19 104.38 3khx n GLY 73 Ca 0.04 -1.39 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 3khx n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khx s LYS 74 N -1.31 1.46 0.00 1.61 1.02 -1.13 -4.58 119.74 116.80 3khx s LYS 74 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.71 3khx s LYS 74 Cb 0.00 0.44 0.00 0.00 -0.52 0.00 0.00 37.83 37.75 3khx s LYS 74 CO 0.00 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 3khx n GLY 75 N -0.35 2.00 0.13 -3.33 0.00 -1.26 -0.34 105.19 102.04 3khx n GLY 75 Ca -0.02 -2.16 -0.17 0.00 0.00 0.00 0.00 46.02 43.67 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 0.54 -3.85 1.61 -0.26 -1.97 -3.38 115.58 108.28 3khx h ASN 76 Ca 0.00 -0.54 -0.47 0.00 -0.56 0.00 0.00 56.30 54.73 3khx h ASN 76 Cb 0.00 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.07 3khx h ASN 76 CO 0.00 1.40 0.30 -1.81 -1.06 0.00 0.00 177.43 176.26 3khx s ASP 77 N -7.22 7.24 -0.11 5.81 1.01 -1.26 -4.92 116.67 117.22 3khx s ASP 77 Ca -0.05 1.74 0.03 0.00 0.71 0.00 0.00 52.55 54.98 3khx s ASP 77 Cb 0.07 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.46 3khx s ASP 77 CO 0.89 -0.08 -0.20 0.54 0.21 0.00 0.00 175.17 176.53 3khx s VAL 78 N -1.66 1.85 -0.09 -1.27 0.11 -1.26 -0.75 120.40 117.33 3khx s VAL 78 Ca 0.50 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 58.45 3khx s VAL 78 Cb -0.17 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 3khx s VAL 78 CO 0.22 0.51 0.66 -0.22 -3.33 0.00 0.00 175.10 172.94 3khx s LEU 79 N 0.64 4.29 -0.19 2.54 2.96 -0.44 -0.87 118.68 127.61 3khx s LEU 79 Ca -0.13 1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.83 3khx s LEU 79 Cb -0.16 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.50 3khx s LEU 79 CO 0.03 -0.12 -0.02 -0.83 -1.32 0.00 0.00 176.35 174.09 3khx s GLY 80 N 0.82 1.69 -0.32 7.98 0.00 0.13 -1.35 107.32 116.26 3khx s GLY 80 Ca 0.35 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 3khx s GLY 80 CO 0.16 0.19 0.04 -0.42 0.00 0.00 0.00 173.10 173.07 3khx s ILE 81 N 0.93 3.06 -0.17 0.90 1.01 -0.91 -1.27 121.20 124.74 3khx s ILE 81 Ca 0.01 -1.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.06 3khx s ILE 81 Cb -0.14 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 3khx s ILE 81 CO 0.02 -0.22 0.14 -0.76 0.00 0.00 0.00 174.94 174.11 3khx s LEU 82 N 1.23 4.28 0.00 2.97 1.43 -0.84 -1.57 118.68 126.18 3khx s LEU 82 Ca -0.02 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3khx s LEU 82 Cb -0.20 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3khx s LEU 82 CO -0.02 0.26 0.16 0.00 0.23 0.00 0.00 176.35 176.98 3khx s HIS 84 N -6.25 0.03 -1.31 0.00 3.76 -1.26 -0.54 115.29 109.73 3khx s HIS 84 Ca 0.05 0.04 0.11 0.00 -0.15 0.00 0.00 55.06 55.11 3khx s HIS 84 Cb -0.01 -0.10 0.10 0.00 1.11 0.00 0.00 32.58 33.68 3khx s HIS 84 CO 0.04 -0.04 0.87 1.33 -0.85 0.00 0.00 174.74 176.09 3khx n VAL 85 N 3.49 0.08 -2.03 -0.90 0.24 -0.92 -4.22 118.33 114.07 3khx n VAL 85 Ca -0.18 -0.54 -0.32 0.00 -2.04 0.00 0.00 64.34 61.26 3khx n VAL 85 Cb 0.56 1.16 0.01 0.00 -1.47 0.00 0.00 33.84 34.10 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 -0.90 5.91 -0.00 -1.34 -4.77 -1.26 -4.76 116.67 109.55 3khx s ASP 86 Ca 0.13 1.72 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 3khx s ASP 86 Cb 0.09 -2.52 -0.00 0.00 -1.09 0.00 0.00 42.92 39.40 3khx s ASP 86 CO 0.14 -1.08 -0.00 0.54 0.70 0.00 0.00 175.17 175.46 3khx s VAL 87 N -2.61 0.02 0.61 2.11 0.11 0.75 -4.66 120.40 116.73 3khx s VAL 87 Ca 0.61 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.49 3khx s VAL 87 Cb -0.14 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.66 3khx s VAL 87 CO 0.39 0.00 1.08 0.68 -3.33 0.00 0.00 175.10 173.93 3khx s VAL 88 N -0.01 3.52 0.99 2.04 -7.23 -1.26 -4.03 120.40 114.42 3khx s VAL 88 Ca 0.00 0.75 -0.11 0.00 -1.81 0.00 0.00 61.98 60.81 3khx s VAL 88 Cb -0.00 -3.27 0.19 0.00 0.56 0.00 0.00 36.38 33.86 3khx s VAL 88 CO -0.00 -0.40 1.10 -2.84 -0.31 0.00 0.00 175.10 172.65 3khx s PRO 89 N -3.96 0.46 -0.34 4.82 0.02 -1.26 -4.93 135.00 129.81 3khx s PRO 89 Ca 0.66 1.29 -0.28 0.00 0.02 0.00 0.00 61.00 62.69 3khx s PRO 89 Cb -0.19 -1.68 0.02 0.00 0.02 0.00 0.00 34.50 32.67 3khx s PRO 89 CO 0.37 -2.93 1.05 0.00 -0.33 0.00 0.00 177.00 175.15 3khx s ALA 90 N -2.61 3.45 1.04 -1.55 0.00 -1.26 -5.03 121.76 115.79 3khx s ALA 90 Ca 0.67 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 3khx s ALA 90 Cb -0.23 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 19.26 3khx s ALA 90 CO 0.60 -1.57 -0.05 0.41 0.00 0.00 0.00 175.76 175.14 3khx n GLY 91 N 4.07 -2.55 3.76 0.00 0.00 -1.26 -4.93 105.19 104.28 3khx n GLY 91 Ca 0.11 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3khx n GLY 91 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3khx s ASP 92 N -1.76 3.82 -0.96 1.61 -4.77 -1.26 -4.50 116.67 108.85 3khx s ASP 92 Ca 0.53 1.27 -0.08 0.00 -3.30 0.00 0.00 52.55 50.97 3khx s ASP 92 Cb -0.14 -1.95 -0.02 0.00 -1.09 0.00 0.00 42.92 39.72 3khx s ASP 92 CO 0.68 -2.39 0.78 0.61 0.70 0.00 0.00 175.17 175.55 3khx n GLY 93 N -1.75 -1.15 3.92 2.12 0.00 -1.26 -5.03 105.19 102.03 3khx n GLY 93 Ca 0.07 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 3khx n GLY 93 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3khx s TRP 94 N -3.26 3.26 -0.55 1.61 0.52 -1.26 -4.95 118.94 114.31 3khx s TRP 94 Ca 0.28 0.59 0.01 0.00 0.02 0.00 0.00 56.10 57.00 3khx s TRP 94 Cb -0.07 -2.66 0.53 0.00 -1.15 0.00 0.00 33.47 30.12 3khx s TRP 94 CO 0.80 -0.73 1.91 -0.25 0.02 0.00 0.00 176.95 178.70 3khx n ASP 95 N -2.50 5.86 -3.68 2.95 8.00 -1.26 -4.92 116.55 120.99 3khx n ASP 95 Ca 0.04 -3.73 0.03 0.00 0.71 0.00 0.00 54.79 51.84 3khx n ASP 95 Cb 0.57 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3khx n ASP 95 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3khx s SER 96 N -1.80 -0.02 -0.43 -2.24 0.15 -1.26 -5.11 113.70 103.00 3khx s SER 96 Ca 0.60 -0.09 -0.20 0.00 0.70 0.00 0.00 55.95 56.96 3khx s SER 96 Cb 0.49 0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.91 3khx s SER 96 CO 0.03 -0.17 0.60 0.20 1.20 0.00 0.00 173.24 175.10 3khx s ASN 97 N -3.27 6.30 0.62 5.45 -0.87 -1.26 -4.96 114.94 116.95 3khx s ASN 97 Ca 0.20 -0.37 0.28 0.00 -1.57 0.00 0.00 52.86 51.39 3khx s ASN 97 Cb 0.04 -2.30 1.43 0.00 -0.02 0.00 0.00 41.25 40.41 3khx s ASN 97 CO -0.04 -0.72 1.83 -0.65 -2.57 0.00 0.00 177.10 174.95 3khx h PRO 98 N 8.81 0.00 -0.27 -0.60 0.11 -1.97 0.70 132.00 138.79 3khx h PRO 98 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3khx h PRO 98 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3khx h PRO 98 CO 0.87 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.85 3khx n PHE 99 N -3.38 0.48 -3.74 0.65 3.72 -1.26 -1.32 117.46 112.61 3khx n PHE 99 Ca 0.06 -0.60 -0.35 0.00 -0.05 0.00 0.00 57.45 56.51 3khx n PHE 99 Cb 0.64 -0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.45 2.68 -0.01 -1.08 2.02 0.24 -4.20 118.70 116.90 3khx s GLU 100 Ca 0.24 -2.80 -0.36 0.00 0.02 0.00 0.00 54.97 52.07 3khx s GLU 100 Cb 0.16 -3.72 -0.15 0.00 0.10 0.00 0.00 34.13 30.52 3khx s GLU 100 CO 0.12 -1.20 1.62 -0.35 0.02 0.00 0.00 175.26 175.47 3khx n PRO 101 N 3.03 1.66 -3.63 0.39 -0.04 -1.26 -4.66 135.00 130.49 3khx n PRO 101 Ca 0.12 0.61 -0.37 0.00 -0.04 0.00 0.00 63.50 63.82 3khx n PRO 101 Cb 0.37 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.39 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 2.11 5.34 -0.71 0.52 -7.23 -0.38 -4.96 120.40 115.10 3khx s VAL 102 Ca 0.88 0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 61.10 3khx s VAL 102 Cb -0.84 -3.52 0.17 0.00 0.56 0.00 0.00 36.38 32.75 3khx s VAL 102 CO 0.50 0.32 0.69 -0.69 -0.31 0.00 0.00 175.10 175.61 3khx s VAL 103 N 1.22 5.33 0.90 1.32 1.01 -1.26 -1.54 120.40 127.37 3khx s VAL 103 Ca 0.08 -1.92 -0.15 0.00 0.00 0.00 0.00 61.98 59.99 3khx s VAL 103 Cb -0.14 -4.45 0.22 0.00 0.00 0.00 0.00 36.38 32.01 3khx s VAL 103 CO 0.06 -1.02 0.84 1.07 0.00 0.00 0.00 175.10 176.05 3khx n THR 104 N 4.68 0.00 -0.23 3.92 5.66 0.25 -4.94 114.28 123.63 3khx n THR 104 Ca 0.02 -0.40 -0.08 0.00 -3.05 0.00 0.00 64.05 60.54 3khx n THR 104 Cb 0.44 -1.23 0.04 0.00 -1.55 0.00 0.00 70.33 68.04 3khx n THR 104 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 3khx h GLU 105 N 0.00 1.10 0.00 1.09 9.09 -2.04 -3.35 114.58 120.47 3khx h GLU 105 Ca -0.31 -0.31 0.00 0.00 0.05 0.00 0.00 59.36 58.79 3khx h GLU 105 Cb 0.93 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 3khx h GLU 105 CO 0.20 1.03 0.00 -0.40 0.05 0.00 0.00 179.01 179.89 3khx n ASP 106 N -4.20 1.01 -3.90 3.06 3.85 -1.26 -5.03 116.55 110.08 3khx n ASP 106 Ca 0.04 -1.49 -0.09 0.00 -0.71 0.00 0.00 54.79 52.53 3khx n ASP 106 Cb 0.31 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 40.00 3khx n ASP 106 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3khx s ALA 107 N -0.49 -0.15 -0.16 2.12 0.00 -1.26 -0.82 121.76 121.00 3khx s ALA 107 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 3khx s ALA 107 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 3khx s ALA 107 CO 0.00 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 175.68 3khx s ILE 108 N -2.84 2.82 -0.19 0.00 1.09 0.40 -0.58 121.20 121.89 3khx s ILE 108 Ca -0.03 -0.72 -0.03 0.00 -1.10 0.00 0.00 60.65 58.78 3khx s ILE 108 Cb 0.00 -2.20 -0.01 0.00 -1.06 0.00 0.00 42.46 39.20 3khx s ILE 108 CO -0.06 0.51 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.59 3khx s ILE 109 N 0.78 3.19 -0.06 2.92 1.01 -0.59 -0.17 121.20 128.28 3khx s ILE 109 Ca -0.05 -0.57 -0.32 0.00 0.00 0.00 0.00 60.65 59.71 3khx s ILE 109 Cb -0.15 -2.42 0.13 0.00 0.01 0.00 0.00 42.46 40.03 3khx s ILE 109 CO 0.01 0.46 1.35 0.00 0.00 0.00 0.00 174.94 176.75 3khx s ALA 110 N 1.17 -2.34 0.19 9.38 0.00 -0.27 -1.25 121.76 128.65 3khx s ALA 110 Ca 0.02 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3khx s ALA 110 Cb -0.14 0.27 -0.08 0.00 0.00 0.00 0.00 23.12 23.17 3khx s ALA 110 CO -0.02 -1.03 1.11 0.50 0.00 0.00 0.00 175.76 176.32 3khx s ARG 111 N -2.26 4.59 0.00 0.00 6.06 -0.44 -3.49 118.95 123.42 3khx s ARG 111 Ca 0.14 1.74 0.00 0.00 -2.50 0.00 0.00 55.73 55.11 3khx s ARG 111 Cb 0.06 -3.26 0.00 0.00 0.06 0.00 0.00 34.95 31.81 3khx s ARG 111 CO -0.05 0.09 0.00 0.41 -2.50 0.00 0.00 175.30 173.25 3khx n GLY 112 N 1.92 0.77 0.26 8.12 0.00 -1.26 -4.91 105.19 110.10 3khx n GLY 112 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.91 0.00 2.61 1.35 -1.87 -0.14 112.91 115.77 3khx h THR 113 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3khx h THR 113 Cb 0.00 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 3khx h THR 113 CO 0.00 0.12 -0.24 -0.07 -0.25 0.00 0.00 175.52 175.08 3khx h LEU 114 N 0.64 0.00 -7.93 3.87 4.07 -1.85 -2.91 115.31 111.19 3khx h LEU 114 Ca 0.32 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.63 3khx h LEU 114 Cb 0.28 0.00 -0.36 0.00 1.08 0.00 0.00 40.66 41.66 3khx h LEU 114 CO -0.23 0.60 -0.83 1.51 -1.08 0.00 0.00 178.44 178.41 3khx s ASP 115 N -5.54 3.66 -0.00 -0.43 3.84 -1.25 -4.42 116.67 112.54 3khx s ASP 115 Ca -0.07 -0.97 0.00 0.00 -0.00 0.00 0.00 52.55 51.51 3khx s ASP 115 Cb 0.01 -1.45 0.01 0.00 -1.38 0.00 0.00 42.92 40.11 3khx s ASP 115 CO 0.10 -0.10 0.66 -0.67 -0.00 0.00 0.00 175.17 175.17 3khx n ASP 116 N 4.57 0.21 -0.13 2.11 2.03 -1.19 -4.31 116.55 119.83 3khx n ASP 116 Ca -0.17 -1.34 -0.09 0.00 0.52 0.00 0.00 54.79 53.71 3khx n ASP 116 Cb 0.46 -0.05 0.06 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.89 0.44 -0.67 1.57 -1.21 0.31 116.57 117.91 3khx h LYS 117 Ca 0.00 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3khx h LYS 117 Cb 1.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 3khx h LYS 117 CO 0.00 0.98 -0.40 0.78 -0.57 0.00 0.00 179.45 180.24 3khx h GLY 118 N 0.95 -1.15 1.02 3.86 0.00 -1.44 -1.78 103.07 104.52 3khx h GLY 118 Ca 0.12 0.52 0.10 0.00 0.00 0.00 0.00 47.33 48.07 3khx h GLY 118 CO 0.05 -0.36 0.42 -2.55 0.00 0.00 0.00 176.54 174.10 3khx h PRO 119 N -0.84 0.44 -0.14 4.80 0.11 -1.74 -0.20 132.00 134.44 3khx h PRO 119 Ca -0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3khx h PRO 119 Cb 0.71 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3khx h PRO 119 CO -0.03 0.29 0.08 1.15 -0.21 0.00 0.00 178.00 179.28 3khx h THR 120 N 0.46 1.09 -0.77 -1.15 2.02 -0.66 0.14 112.91 114.03 3khx h THR 120 Ca 0.29 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 3khx h THR 120 Cb 0.53 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 3khx h THR 120 CO -0.08 0.08 0.32 0.40 0.37 0.00 0.00 175.52 176.60 3khx h ILE 121 N 0.13 1.26 0.09 3.11 1.08 -0.47 0.43 117.51 123.13 3khx h ILE 121 Ca 0.05 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 3khx h ILE 121 Cb 0.06 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 3khx h ILE 121 CO -0.01 0.32 -0.18 0.00 -0.69 0.00 0.00 178.15 177.59 3khx h ALA 122 N 1.16 -0.29 -0.48 1.87 0.00 -0.87 -0.17 119.26 120.48 3khx h ALA 122 Ca 0.26 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3khx h ALA 122 Cb 0.20 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3khx h ALA 122 CO -0.02 -0.70 0.22 0.00 0.00 0.00 0.00 179.25 178.74 3khx h ALA 123 N 0.51 0.60 -0.66 0.00 0.00 -0.71 -2.53 119.26 116.48 3khx h ALA 123 Ca 0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3khx h ALA 123 Cb 0.37 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3khx h ALA 123 CO -0.11 -0.15 0.39 -0.92 0.00 0.00 0.00 179.25 178.46 3khx h TYR 124 N 0.43 0.73 -0.03 0.00 5.03 -0.48 -2.92 116.97 119.73 3khx h TYR 124 Ca 0.22 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.38 3khx h TYR 124 Cb 0.16 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 3khx h TYR 124 CO -0.12 0.39 -0.73 1.88 -1.32 0.00 0.00 178.16 178.26 3khx h TYR 125 N 0.75 0.24 -0.52 -3.82 -1.99 -0.63 -1.20 116.97 109.80 3khx h TYR 125 Ca 0.28 -0.11 0.05 0.00 2.00 0.00 0.00 58.73 60.95 3khx h TYR 125 Cb 0.08 -0.03 -0.08 0.00 2.00 0.00 0.00 36.73 38.69 3khx h TYR 125 CO -0.06 0.84 -0.50 0.00 -0.00 0.00 0.00 178.16 178.44 3khx h ALA 126 N 1.13 -0.65 -0.49 3.88 0.00 -1.30 0.31 119.26 122.14 3khx h ALA 126 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3khx h ALA 126 Cb 1.29 1.16 -0.04 0.00 0.00 0.00 0.00 17.79 20.19 3khx h ALA 126 CO 0.11 -0.93 0.24 0.82 0.00 0.00 0.00 179.25 179.49 3khx h ILE 127 N -0.24 0.95 -0.43 0.00 2.04 -1.29 -2.42 117.51 116.11 3khx h ILE 127 Ca 0.09 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3khx h ILE 127 Cb 0.47 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3khx h ILE 127 CO -0.62 0.09 0.25 0.50 0.00 0.00 0.00 178.15 178.37 3khx h LYS 128 N 0.47 0.49 -0.32 2.37 3.64 -0.76 -0.95 116.57 121.52 3khx h LYS 128 Ca 0.22 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3khx h LYS 128 Cb 0.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3khx h LYS 128 CO -0.16 0.33 -0.12 0.82 -2.27 0.00 0.00 179.45 178.05 3khx h ILE 129 N 0.51 1.24 -0.11 2.00 2.04 -0.12 0.36 117.51 123.43 3khx h ILE 129 Ca 0.17 -1.05 -0.17 0.00 1.00 0.00 0.00 64.86 64.82 3khx h ILE 129 Cb 0.02 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3khx h ILE 129 CO -0.08 0.35 -0.64 -0.07 0.00 0.00 0.00 178.15 177.70 3khx h LEU 130 N 0.50 0.47 -1.00 1.44 3.38 -1.23 -2.27 115.31 116.61 3khx h LEU 130 Ca 0.09 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3khx h LEU 130 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3khx h LEU 130 CO 0.03 0.99 0.03 -0.08 0.09 0.00 0.00 178.44 179.50 3khx h GLU 131 N 0.30 0.75 0.00 1.13 4.57 -0.20 -2.59 114.58 118.54 3khx h GLU 131 Ca -0.01 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 3khx h GLU 131 Cb 1.18 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3khx h GLU 131 CO 0.11 0.74 0.00 -0.44 -1.18 0.00 0.00 179.01 178.24 3khx h ASP 132 N 0.71 0.00 -0.64 1.04 3.32 0.23 -2.51 116.42 118.57 3khx h ASP 132 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3khx h ASP 132 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3khx h ASP 132 CO 0.01 0.00 0.00 1.15 -1.72 0.00 0.00 179.24 178.68 3khx n MET 133 N -2.65 3.23 -2.11 3.56 0.00 -0.95 -4.94 117.12 113.26 3khx n MET 133 Ca 0.01 -2.73 -0.21 0.00 0.00 0.00 0.00 57.70 54.77 3khx n MET 133 Cb 0.23 -1.70 -0.04 0.00 0.00 0.00 0.00 33.22 31.71 3khx n MET 133 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3khx n ASN 134 N 1.23 -5.78 -4.52 3.17 6.94 -0.95 -4.91 115.26 110.45 3khx n ASN 134 Ca 0.24 0.17 -0.37 0.00 -0.02 0.00 0.00 54.58 54.60 3khx n ASN 134 Cb 0.74 -4.90 0.06 0.00 -2.36 0.00 0.00 39.78 33.32 3khx n ASN 134 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3khx n VAL 135 N -3.44 2.38 -3.22 3.53 0.24 -1.18 -4.91 118.33 111.74 3khx n VAL 135 Ca -0.23 -0.43 -0.46 0.00 -2.04 0.00 0.00 64.34 61.18 3khx n VAL 135 Cb 0.69 -0.86 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 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 -1.42 6.88 0.42 -1.34 2.15 -1.26 -5.00 116.67 117.10 3khx s ASP 136 Ca 0.69 -2.77 -0.26 0.00 0.43 0.00 0.00 52.55 50.64 3khx s ASP 136 Cb -0.37 -2.26 -0.09 0.00 -0.30 0.00 0.00 42.92 39.89 3khx s ASP 136 CO 0.54 -0.62 1.40 0.26 -0.17 0.00 0.00 175.17 176.58 3khx s TRP 137 N 0.48 2.61 -0.10 -5.34 0.52 -1.26 -4.73 118.94 111.12 3khx s TRP 137 Ca 0.25 1.29 0.06 0.00 0.02 0.00 0.00 56.10 57.72 3khx s TRP 137 Cb -0.08 -3.87 -0.08 0.00 -1.15 0.00 0.00 33.47 28.28 3khx s TRP 137 CO -0.08 -2.69 0.17 1.63 0.02 0.00 0.00 176.95 176.00 3khx n LYS 138 N 0.08 1.84 -4.19 4.98 4.76 0.10 -4.39 118.16 121.36 3khx n LYS 138 Ca 0.04 -0.04 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 3khx n LYS 138 Cb 0.42 -1.02 -0.12 0.00 -1.84 0.00 0.00 35.03 32.47 3khx n LYS 138 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3khx s LYS 139 N -2.12 0.74 0.78 1.97 1.02 0.54 -4.17 119.74 118.50 3khx s LYS 139 Ca -0.01 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.08 3khx s LYS 139 Cb 0.04 -0.67 0.06 0.00 -0.52 0.00 0.00 37.83 36.74 3khx s LYS 139 CO 0.24 0.15 1.08 1.03 -0.92 0.00 0.00 175.35 176.94 3khx s ARG 140 N -1.42 2.19 -0.03 1.68 0.52 0.07 -2.84 118.95 119.12 3khx s ARG 140 Ca -0.03 0.90 0.03 0.00 -0.52 0.00 0.00 55.73 56.11 3khx s ARG 140 Cb -0.09 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.48 3khx s ARG 140 CO 0.01 -1.62 -0.10 0.42 0.02 0.00 0.00 175.30 174.04 3khx s ILE 141 N -3.01 0.84 -0.28 1.52 1.01 0.28 -1.32 121.20 120.23 3khx s ILE 141 Ca 0.61 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.90 3khx s ILE 141 Cb -0.16 -0.74 0.07 0.00 0.01 0.00 0.00 42.46 41.64 3khx s ILE 141 CO 0.55 0.26 -0.08 -1.00 0.00 0.00 0.00 174.94 174.68 3khx s HIS 142 N 0.21 3.36 -0.48 3.97 3.76 -0.46 -1.65 115.29 124.00 3khx s HIS 142 Ca -0.04 -2.46 -0.22 0.00 -0.15 0.00 0.00 55.06 52.20 3khx s HIS 142 Cb -0.09 -2.12 0.03 0.00 1.11 0.00 0.00 32.58 31.51 3khx s HIS 142 CO 0.01 -0.89 0.75 1.41 -0.85 0.00 0.00 174.74 175.17 3khx s MET 143 N 1.06 3.30 -0.24 1.40 1.75 -0.68 -2.15 119.30 123.75 3khx s MET 143 Ca -0.05 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 53.94 3khx s MET 143 Cb -0.20 -4.00 -0.04 0.00 2.84 0.00 0.00 34.83 33.43 3khx s MET 143 CO -0.06 -1.19 0.12 0.42 -0.65 0.00 0.00 175.02 173.67 3khx s ILE 144 N 3.19 4.92 -0.13 10.11 1.01 -0.61 -0.76 121.20 138.93 3khx s ILE 144 Ca 0.25 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.95 3khx s ILE 144 Cb -0.14 -3.29 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 3khx s ILE 144 CO 0.19 0.34 -0.20 -0.63 0.00 0.00 0.00 174.94 174.64 3khx s ILE 145 N 1.26 2.36 0.33 2.92 1.01 0.13 -1.05 121.20 128.16 3khx s ILE 145 Ca 0.06 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3khx s ILE 145 Cb -0.14 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3khx s ILE 145 CO 0.05 0.54 0.13 -0.83 0.00 0.00 0.00 174.94 174.83 3khx s GLY 146 N 0.57 1.88 0.00 6.18 0.00 0.30 -1.77 107.32 114.48 3khx s GLY 146 Ca -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.82 3khx s GLY 146 CO 0.04 -1.74 0.16 -1.30 0.00 0.00 0.00 173.10 170.25 3khx n THR 147 N -1.12 0.01 -3.92 0.90 -2.24 -1.03 -2.16 114.28 104.72 3khx n THR 147 Ca -0.04 -0.14 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 3khx n THR 147 Cb 0.61 1.69 -0.14 0.00 -2.10 0.00 0.00 70.33 70.40 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 -0.01 4.92 0.07 3.42 2.15 -1.26 -4.69 116.67 121.28 3khx s ASP 148 Ca 0.00 -1.82 0.13 0.00 0.43 0.00 0.00 52.55 51.29 3khx s ASP 148 Cb 0.00 -1.71 0.59 0.00 -0.30 0.00 0.00 42.92 41.50 3khx s ASP 148 CO 0.00 -0.39 1.42 -1.84 -0.17 0.00 0.00 175.17 174.19 3khx n GLU 149 N 4.47 0.05 0.15 4.34 0.28 -1.26 -1.59 120.64 127.08 3khx n GLU 149 Ca -0.04 0.37 0.12 0.00 -0.16 0.00 0.00 57.16 57.45 3khx n GLU 149 Cb 0.42 -1.61 0.17 0.00 1.43 0.00 0.00 31.44 31.85 3khx n GLU 149 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3khx h GLU 150 N 0.00 0.00 -6.95 3.44 4.39 -2.05 -3.44 114.58 109.97 3khx h GLU 150 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 3khx h GLU 150 Cb 0.19 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.91 3khx h GLU 150 CO 0.00 0.00 0.55 0.45 -1.16 0.00 0.00 179.01 178.85 3khx s SER 151 N -5.47 6.37 -0.24 1.42 0.15 -0.62 -4.94 113.70 110.38 3khx s SER 151 Ca 0.06 2.49 0.11 0.00 0.70 0.00 0.00 55.95 59.31 3khx s SER 151 Cb 0.08 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 62.22 3khx s SER 151 CO 0.69 -0.79 1.34 -0.90 1.20 0.00 0.00 173.24 174.78 3khx n ASP 152 N 0.04 2.34 -1.72 5.45 5.75 -1.26 -4.96 116.55 122.19 3khx n ASP 152 Ca 0.04 -3.67 -0.17 0.00 -0.01 0.00 0.00 54.79 50.98 3khx n ASP 152 Cb 0.45 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.92 3khx n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3khx n TRP 153 N -1.10 -0.42 -1.17 2.11 7.02 -1.26 -4.32 117.44 118.30 3khx n TRP 153 Ca 0.25 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.40 3khx n TRP 153 Cb 0.86 -3.15 0.12 0.00 -2.42 0.00 0.00 31.31 26.72 3khx n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3khx s LYS 154 N -3.84 1.74 0.55 -0.99 1.02 -1.26 -1.10 119.74 115.87 3khx s LYS 154 Ca 0.00 1.70 0.24 0.00 0.02 0.00 0.00 55.97 57.92 3khx s LYS 154 Cb 0.00 -1.79 1.51 0.00 -0.52 0.00 0.00 37.83 37.02 3khx s LYS 154 CO 0.00 -2.12 2.14 0.00 -0.92 0.00 0.00 175.35 174.45 3khx n THR 156 N -4.18 0.10 -1.92 0.00 5.66 -1.26 -3.67 114.28 109.01 3khx n THR 156 Ca 0.00 -0.05 -0.29 0.00 -3.05 0.00 0.00 64.05 60.66 3khx n THR 156 Cb 0.23 -0.32 0.08 0.00 -1.55 0.00 0.00 70.33 68.77 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 -3.28 4.81 0.14 1.09 1.01 0.14 -4.81 116.67 115.77 3khx s ASP 157 Ca 0.12 0.86 -0.27 0.00 0.71 0.00 0.00 52.55 53.98 3khx s ASP 157 Cb 0.17 -1.46 -0.02 0.00 1.01 0.00 0.00 42.92 42.62 3khx s ASP 157 CO 0.59 -1.72 1.59 -0.09 0.21 0.00 0.00 175.17 175.75 3khx h ARG 158 N -0.91 -0.40 -0.64 8.23 9.65 -1.91 -2.09 114.38 126.31 3khx h ARG 158 Ca -0.46 0.03 0.11 0.00 -1.10 0.00 0.00 59.98 58.56 3khx h ARG 158 Cb 1.31 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 29.90 3khx h ARG 158 CO 0.65 -0.26 0.23 -0.92 2.80 0.00 0.00 179.97 182.47 3khx h TYR 159 N -0.41 0.40 -0.00 2.20 3.20 -1.94 -1.87 116.97 118.54 3khx h TYR 159 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3khx h TYR 159 Cb 0.59 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3khx h TYR 159 CO -0.50 0.07 -0.34 1.19 -1.64 0.00 0.00 178.16 176.94 3khx n PHE 160 N -5.02 0.00 -0.30 -3.82 3.72 -1.12 -1.39 117.46 109.54 3khx n PHE 160 Ca 0.10 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.68 3khx n PHE 160 Cb 0.31 -0.18 0.45 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.65 0.50 0.00 -1.08 1.57 -0.62 -3.35 116.57 114.25 3khx h LYS 161 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3khx h LYS 161 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3khx h LYS 161 CO 0.00 0.33 -0.28 0.25 -0.57 0.00 0.00 179.45 179.19 3khx n THR 162 N -4.62 0.00 -3.86 -0.16 -2.24 -1.15 -5.10 114.28 97.16 3khx n THR 162 Ca 0.22 -0.07 -0.27 0.00 -2.27 0.00 0.00 64.05 61.66 3khx n THR 162 Cb 0.71 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.69 3.47 0.37 -0.78 0.41 -0.48 -5.04 118.70 115.95 3khx s GLU 163 Ca 0.00 -0.49 -0.28 0.00 -0.41 0.00 0.00 54.97 53.78 3khx s GLU 163 Cb 0.00 -2.93 -0.11 0.00 -1.78 0.00 0.00 34.13 29.31 3khx s GLU 163 CO 0.00 0.49 1.44 -1.91 -0.49 0.00 0.00 175.26 174.79 3khx n GLU 164 N -0.51 2.54 -2.65 1.61 2.13 -1.26 -4.69 120.64 117.81 3khx n GLU 164 Ca -0.06 0.89 -0.41 0.00 0.66 0.00 0.00 57.16 58.24 3khx n GLU 164 Cb 0.54 -2.58 -0.05 0.00 0.27 0.00 0.00 31.44 29.62 3khx n GLU 164 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3khx s MET 165 N -1.99 4.69 0.52 5.31 -1.94 -1.26 -5.02 119.30 119.61 3khx s MET 165 Ca 0.54 1.57 -0.21 0.00 -1.71 0.00 0.00 55.69 55.88 3khx s MET 165 Cb -0.50 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 32.97 3khx s MET 165 CO 0.63 0.23 1.22 -2.14 -0.01 0.00 0.00 175.02 174.95 3khx s PRO 166 N -0.45 3.37 0.33 2.03 0.02 -1.26 -4.88 135.00 134.16 3khx s PRO 166 Ca 0.46 1.88 0.22 0.00 0.02 0.00 0.00 61.00 63.58 3khx s PRO 166 Cb -0.26 -2.21 0.19 0.00 0.02 0.00 0.00 34.50 32.24 3khx s PRO 166 CO 0.33 -0.90 1.38 0.00 -0.33 0.00 0.00 177.00 177.48 3khx h THR 167 N 1.45 0.11 -2.73 0.99 1.03 -1.35 -1.79 112.91 110.62 3khx h THR 167 Ca -0.50 -1.17 0.04 0.00 -0.01 0.00 0.00 66.41 64.77 3khx h THR 167 Cb 1.27 1.89 -0.12 0.00 -1.07 0.00 0.00 68.15 70.12 3khx h THR 167 CO 0.58 0.06 0.32 -1.48 -0.01 0.00 0.00 175.52 174.99 3khx s LEU 168 N -5.96 -0.46 0.00 0.00 2.34 -1.20 -4.37 118.68 109.04 3khx s LEU 168 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.16 3khx s LEU 168 Cb 0.07 2.40 0.00 0.00 -0.56 0.00 0.00 46.19 48.10 3khx s LEU 168 CO 0.72 -0.88 0.00 0.61 -1.06 0.00 0.00 176.35 175.74 3khx n GLY 169 N -0.35 -0.92 2.88 -3.48 0.00 -1.26 0.17 105.19 102.22 3khx n GLY 169 Ca -0.13 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.00 -0.06 -0.38 1.61 5.36 -0.40 -4.43 117.98 116.68 3khx s PHE 170 Ca 0.00 0.24 0.07 0.00 -0.96 0.00 0.00 56.93 56.28 3khx s PHE 170 Cb 0.00 -0.09 0.18 0.00 -0.34 0.00 0.00 43.02 42.77 3khx s PHE 170 CO 0.00 -0.09 0.58 0.00 -1.46 0.00 0.00 175.22 174.25 3khx s ALA 171 N 0.71 -2.12 0.18 11.12 0.00 -1.26 -1.99 121.76 128.40 3khx s ALA 171 Ca -0.06 0.25 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 3khx s ALA 171 Cb -0.08 -2.60 0.16 0.00 0.00 0.00 0.00 23.12 20.61 3khx s ALA 171 CO -0.03 -2.11 1.73 -1.00 0.00 0.00 0.00 175.76 174.35 3khx h PRO 172 N 7.25 0.26 0.00 0.00 0.13 -1.99 -3.11 132.00 134.54 3khx h PRO 172 Ca 0.03 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.02 3khx h PRO 172 Cb 1.17 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3khx h PRO 172 CO 0.13 0.17 -1.03 0.38 -0.23 0.00 0.00 178.00 177.42 3khx h ASP 173 N 0.27 0.00 -3.72 1.44 -0.00 -1.97 -3.47 116.42 108.97 3khx h ASP 173 Ca 0.23 0.00 -0.50 0.00 -0.00 0.00 0.00 57.03 56.77 3khx h ASP 173 Cb 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.59 3khx h ASP 173 CO -0.28 0.50 0.29 0.00 -0.00 0.00 0.00 179.24 179.75 3khx s ALA 174 N -2.97 3.34 -0.12 4.15 0.00 -1.18 -4.99 121.76 119.99 3khx s ALA 174 Ca -0.00 0.50 -0.17 0.00 0.00 0.00 0.00 51.96 52.29 3khx s ALA 174 Cb 0.08 -3.12 -0.26 0.00 0.00 0.00 0.00 23.12 19.83 3khx s ALA 174 CO 0.78 0.23 0.52 1.49 0.00 0.00 0.00 175.76 178.78 3khx h GLU 175 N 3.91 0.20 -2.11 0.00 4.81 -1.90 -3.42 114.58 116.06 3khx h GLU 175 Ca -0.46 -0.33 -0.57 0.00 -0.13 0.00 0.00 59.36 57.86 3khx h GLU 175 Cb 1.20 0.12 -0.41 0.00 0.63 0.00 0.00 28.75 30.30 3khx h GLU 175 CO 0.67 1.16 -0.84 1.19 -0.73 0.00 0.00 179.01 180.45 3khx n PHE 176 N -4.02 1.91 -2.18 0.92 3.72 -1.26 -4.90 117.46 111.65 3khx n PHE 176 Ca -0.25 -3.89 -0.35 0.00 -0.05 0.00 0.00 57.45 52.91 3khx n PHE 176 Cb 0.85 -0.46 0.01 0.00 -0.94 0.00 0.00 39.48 38.94 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 -2.12 3.26 -1.29 -1.08 0.04 -1.26 -4.14 135.00 128.41 3khx s PRO 177 Ca 0.39 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 3khx s PRO 177 Cb 0.19 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.78 3khx s PRO 177 CO -0.07 -0.93 1.82 0.00 0.04 0.00 0.00 177.00 177.86 3khx s ILE 179 N 5.10 0.27 0.34 0.00 1.01 -1.26 -4.07 121.20 122.58 3khx s ILE 179 Ca 0.55 -0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.81 3khx s ILE 179 Cb 0.05 -0.25 -0.11 0.00 0.01 0.00 0.00 42.46 42.15 3khx s ILE 179 CO 0.07 0.09 1.49 -1.00 0.00 0.00 0.00 174.94 175.60 3khx s HIS 180 N 0.14 2.71 0.00 3.97 3.76 -0.67 -4.07 115.29 121.13 3khx s HIS 180 Ca -0.01 1.09 0.00 0.00 -0.15 0.00 0.00 55.06 55.99 3khx s HIS 180 Cb -0.04 -3.98 0.00 0.00 1.11 0.00 0.00 32.58 29.67 3khx s HIS 180 CO -0.00 -3.00 0.00 0.41 -0.85 0.00 0.00 174.74 171.30 3khx n GLY 181 N 1.05 0.71 3.73 -2.22 0.00 -1.26 -4.57 105.19 102.63 3khx n GLY 181 Ca 0.03 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 3khx n GLY 181 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3khx s GLU 182 N 1.56 4.61 0.69 1.61 2.12 0.70 -4.94 118.70 125.05 3khx s GLU 182 Ca 0.00 1.31 -0.13 0.00 0.36 0.00 0.00 54.97 56.51 3khx s GLU 182 Cb 0.00 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.02 3khx s GLU 182 CO 0.00 0.21 1.10 0.15 -0.54 0.00 0.00 175.26 176.17 3khx s LYS 183 N 0.10 2.68 0.84 4.30 1.02 -1.26 -1.69 119.74 125.72 3khx s LYS 183 Ca 0.44 1.27 -0.12 0.00 0.02 0.00 0.00 55.97 57.59 3khx s LYS 183 Cb -0.22 -1.94 0.09 0.00 -0.52 0.00 0.00 37.83 35.24 3khx s LYS 183 CO 0.27 -1.33 1.11 0.20 -0.92 0.00 0.00 175.35 174.68 3khx s GLY 184 N -2.94 1.61 -0.14 -3.33 0.00 0.12 -4.55 107.32 98.09 3khx s GLY 184 Ca 0.64 -0.31 -0.09 0.00 0.00 0.00 0.00 44.72 44.96 3khx s GLY 184 CO 0.47 0.17 0.35 -1.50 0.00 0.00 0.00 173.10 172.58 3khx s ILE 185 N -3.19 -0.02 0.12 0.90 2.07 0.73 -2.91 121.20 118.90 3khx s ILE 185 Ca 0.62 0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 3khx s ILE 185 Cb -0.15 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 3khx s ILE 185 CO 0.54 0.03 -0.02 0.42 -1.91 0.00 0.00 174.94 174.00 3khx s THR 186 N 0.91 0.50 0.05 4.00 -4.23 -0.84 0.68 115.64 116.71 3khx s THR 186 Ca -0.06 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3khx s THR 186 Cb -0.07 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 3khx s THR 186 CO -0.07 -0.70 -0.08 0.42 -0.54 0.00 0.00 174.62 173.66 3khx s THR 187 N -3.77 0.59 0.15 3.99 -4.23 -1.25 -0.63 115.64 110.50 3khx s THR 187 Ca 0.17 -1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 59.18 3khx s THR 187 Cb 0.06 -0.83 0.06 0.00 1.34 0.00 0.00 72.50 73.14 3khx s THR 187 CO -0.02 -0.47 0.82 0.72 -0.54 0.00 0.00 174.62 175.13 3khx s PHE 188 N -1.80 -0.26 -0.03 3.99 -0.12 -0.18 -0.53 117.98 119.05 3khx s PHE 188 Ca -0.06 -0.03 0.05 0.00 -0.05 0.00 0.00 56.93 56.85 3khx s PHE 188 Cb -0.07 0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 3khx s PHE 188 CO -0.00 -0.88 -0.16 -0.51 -0.05 0.00 0.00 175.22 173.62 3khx s ASP 189 N -2.81 3.90 -0.42 1.98 1.01 -0.13 0.79 116.67 120.99 3khx s ASP 189 Ca 0.08 -0.27 -0.14 0.00 0.71 0.00 0.00 52.55 52.93 3khx s ASP 189 Cb -0.02 -0.75 0.04 0.00 1.01 0.00 0.00 42.92 43.19 3khx s ASP 189 CO -0.02 0.32 0.31 -0.76 0.21 0.00 0.00 175.17 175.23 3khx s LEU 190 N -0.89 5.18 -0.17 1.23 1.43 0.64 -1.14 118.68 124.95 3khx s LEU 190 Ca 0.12 -1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 3khx s LEU 190 Cb -0.11 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3khx s LEU 190 CO 0.02 -0.49 0.01 -0.69 0.23 0.00 0.00 176.35 175.42 3khx s VAL 191 N 1.64 4.28 0.14 -1.59 1.01 -0.87 -0.72 120.40 124.30 3khx s VAL 191 Ca 0.04 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 3khx s VAL 191 Cb -0.21 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.19 3khx s VAL 191 CO 0.08 0.47 0.70 -1.58 0.00 0.00 0.00 175.10 174.78 3khx s GLN 192 N 0.43 4.41 -0.28 2.72 0.74 -1.15 -1.33 119.66 125.19 3khx s GLN 192 Ca -0.01 0.98 -0.29 0.00 0.05 0.00 0.00 55.36 56.10 3khx s GLN 192 Cb -0.13 -3.21 0.01 0.00 1.10 0.00 0.00 33.01 30.78 3khx s GLN 192 CO 0.02 0.57 1.14 -0.80 -0.55 0.00 0.00 175.29 175.67 3khx s ASN 193 N -1.20 6.91 -0.18 6.67 0.01 0.32 -4.94 114.94 122.54 3khx s ASN 193 Ca 0.34 1.23 -0.29 0.00 -0.71 0.00 0.00 52.86 53.43 3khx s ASN 193 Cb -0.21 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 3khx s ASN 193 CO 0.23 -0.86 1.72 -0.75 -1.51 0.00 0.00 177.10 175.93 3khx s LYS 194 N 3.65 3.79 -0.51 -0.60 2.47 -1.26 -4.92 119.74 122.37 3khx s LYS 194 Ca 0.49 1.85 -0.28 0.00 -1.56 0.00 0.00 55.97 56.46 3khx s LYS 194 Cb -0.15 -4.08 0.02 0.00 -1.46 0.00 0.00 37.83 32.16 3khx s LYS 194 CO 0.15 -1.31 1.36 -0.51 0.16 0.00 0.00 175.35 175.20 3khx s LEU 195 N 5.36 3.49 -1.53 5.43 1.02 -1.26 -4.92 118.68 126.27 3khx s LEU 195 Ca 0.76 0.46 -0.10 0.00 0.02 0.00 0.00 54.13 55.28 3khx s LEU 195 Cb -0.28 -3.28 -0.02 0.00 0.02 0.00 0.00 46.19 42.62 3khx s LEU 195 CO 0.31 -1.54 2.71 0.41 0.02 0.00 0.00 176.35 178.26 3khx n THR 196 N 6.91 4.39 -4.47 5.49 -1.04 -1.26 -4.89 114.28 119.41 3khx n THR 196 Ca 0.13 -3.06 -0.28 0.00 -2.04 0.00 0.00 64.05 58.81 3khx n THR 196 Cb 0.49 -2.50 -0.17 0.00 -1.82 0.00 0.00 70.33 66.33 3khx n THR 196 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3khx s GLU 197 N 1.59 2.10 0.97 -2.82 4.04 -1.26 -5.13 118.70 118.19 3khx s GLU 197 Ca 0.62 -0.52 -0.12 0.00 0.04 0.00 0.00 54.97 54.99 3khx s GLU 197 Cb 0.17 -1.79 0.11 0.00 0.02 0.00 0.00 34.13 32.64 3khx s GLU 197 CO -0.07 -0.05 0.70 -0.25 -1.84 0.00 0.00 175.26 173.75 3khx n ASP 198 N 4.15 -1.17 -3.68 0.83 10.43 -1.26 -5.03 116.55 120.82 3khx n ASP 198 Ca -0.19 0.28 -0.04 0.00 2.57 0.00 0.00 54.79 57.42 3khx n ASP 198 Cb 0.51 -1.29 -0.01 0.00 1.84 0.00 0.00 41.12 42.17 3khx n ASP 198 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3khx s GLN 199 N -4.06 0.96 0.71 -1.24 -2.07 -1.26 -5.12 119.66 107.58 3khx s GLN 199 Ca 0.62 -0.50 -0.13 0.00 -1.82 0.00 0.00 55.36 53.53 3khx s GLN 199 Cb -0.21 0.35 0.02 0.00 -1.09 0.00 0.00 33.01 32.08 3khx s GLN 199 CO 0.64 -0.44 1.09 0.16 -1.32 0.00 0.00 175.29 175.42 3khx s ASP 200 N -2.84 4.92 -0.18 12.60 3.84 -1.26 -4.97 116.67 128.79 3khx s ASP 200 Ca 0.11 1.86 -0.29 0.00 -0.00 0.00 0.00 52.55 54.23 3khx s ASP 200 Cb -0.00 -2.53 -0.02 0.00 -1.38 0.00 0.00 42.92 38.98 3khx s ASP 200 CO -0.01 -1.75 1.45 -0.70 -0.00 0.00 0.00 175.17 174.16 3khx s GLU 201 N -4.56 4.04 0.60 2.11 2.12 -1.26 -4.98 118.70 116.76 3khx s GLU 201 Ca 0.63 1.69 -0.13 0.00 0.36 0.00 0.00 54.97 57.53 3khx s GLU 201 Cb -0.18 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.25 3khx s GLU 201 CO 0.49 -0.98 1.02 -1.25 -0.54 0.00 0.00 175.26 174.00 3khx s PRO 202 N 4.07 3.66 0.23 4.30 0.04 -1.26 -4.93 135.00 141.10 3khx s PRO 202 Ca 0.64 0.82 -0.08 0.00 0.04 0.00 0.00 61.00 62.42 3khx s PRO 202 Cb -0.24 -2.09 0.38 0.00 0.04 0.00 0.00 34.50 32.59 3khx s PRO 202 CO 0.23 -0.52 1.68 -0.44 0.04 0.00 0.00 177.00 178.00 3khx h ASP 203 N -0.00 -0.07 -3.62 6.66 3.32 -1.92 -3.42 116.42 117.37 3khx h ASP 203 Ca -0.45 0.14 -0.44 0.00 0.02 0.00 0.00 57.03 56.30 3khx h ASP 203 Cb 1.19 0.21 -0.32 0.00 0.22 0.00 0.00 39.33 40.63 3khx h ASP 203 CO 0.62 -0.05 -0.79 -0.31 -1.72 0.00 0.00 179.24 176.99 3khx s TYR 204 N -6.09 0.99 -0.17 4.55 1.51 -0.85 -0.81 117.35 116.48 3khx s TYR 204 Ca -0.13 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3khx s TYR 204 Cb 0.20 -0.75 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 3khx s TYR 204 CO 0.75 -0.16 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.87 3khx s GLU 205 N 0.51 3.16 -0.21 -0.62 2.12 -0.62 -2.17 118.70 120.87 3khx s GLU 205 Ca -0.08 -0.76 -0.28 0.00 0.36 0.00 0.00 54.97 54.20 3khx s GLU 205 Cb -0.12 -2.64 0.00 0.00 0.26 0.00 0.00 34.13 31.63 3khx s GLU 205 CO 0.01 -0.07 0.98 -1.17 -0.54 0.00 0.00 175.26 174.47 3khx s LEU 206 N 1.03 4.12 -0.19 2.70 2.96 -1.26 -0.77 118.68 127.27 3khx s LEU 206 Ca -0.01 1.32 -0.13 0.00 -0.22 0.00 0.00 54.13 55.09 3khx s LEU 206 Cb -0.15 -3.46 -0.21 0.00 0.50 0.00 0.00 46.19 42.88 3khx s LEU 206 CO -0.04 -0.60 0.16 -0.38 -1.32 0.00 0.00 176.35 174.18 3khx n ILE 207 N 5.18 1.63 -3.86 6.68 5.41 -0.36 -4.62 119.36 129.41 3khx n ILE 207 Ca 0.10 -0.36 -0.10 0.00 1.00 0.00 0.00 62.75 63.39 3khx n ILE 207 Cb 0.47 -1.85 -0.08 0.00 -0.71 0.00 0.00 39.64 37.47 3khx n ILE 207 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3khx s THR 208 N -2.47 0.12 -0.01 1.39 -4.23 -1.17 -2.92 115.64 106.36 3khx s THR 208 Ca -0.28 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3khx s THR 208 Cb 0.08 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.90 3khx s THR 208 CO 0.65 -0.55 0.01 0.12 -0.54 0.00 0.00 174.62 174.30 3khx s PHE 209 N -2.91 0.06 -0.05 3.99 5.36 -0.02 -1.59 117.98 122.82 3khx s PHE 209 Ca -0.02 0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 55.96 3khx s PHE 209 Cb 0.01 -0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.57 3khx s PHE 209 CO -0.06 -0.04 0.11 0.15 -1.46 0.00 0.00 175.22 173.92 3khx s LYS 210 N 0.48 0.09 -0.29 10.12 -0.14 -0.48 -1.49 119.74 128.02 3khx s LYS 210 Ca -0.04 0.25 -0.13 0.00 -1.36 0.00 0.00 55.97 54.69 3khx s LYS 210 Cb -0.06 -0.09 0.12 0.00 -1.68 0.00 0.00 37.83 36.11 3khx s LYS 210 CO -0.01 -0.10 0.70 0.45 -0.76 0.00 0.00 175.35 175.63 3khx s SER 211 N 0.70 -1.01 0.00 2.83 0.15 -0.11 -1.53 113.70 114.73 3khx s SER 211 Ca -0.05 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.07 3khx s SER 211 Cb -0.07 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.13 3khx s SER 211 CO -0.03 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3khx n GLY 212 N 4.94 2.06 0.14 9.45 0.00 -1.25 0.24 105.19 120.77 3khx n GLY 212 Ca -0.15 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 2.51 0.61 -4.66 1.61 -0.58 -1.23 -4.56 120.64 114.33 3khx n GLU 213 Ca 0.00 0.25 -0.31 0.00 -0.42 0.00 0.00 57.16 56.68 3khx n GLU 213 Cb 0.00 -1.51 -0.13 0.00 -0.57 0.00 0.00 31.44 29.23 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 -2.51 2.03 0.45 3.49 0.52 -1.26 -4.94 118.95 116.73 3khx s ARG 214 Ca -0.37 -1.01 0.23 0.00 -0.52 0.00 0.00 55.73 54.06 3khx s ARG 214 Cb 0.13 -2.16 1.23 0.00 0.52 0.00 0.00 34.95 34.67 3khx s ARG 214 CO 0.53 0.53 1.81 1.88 0.02 0.00 0.00 175.30 180.07 3khx h TYR 215 N 4.52 0.43 -0.38 -0.53 0.05 -1.89 -2.87 116.97 116.29 3khx h TYR 215 Ca -0.48 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3khx h TYR 215 Cb 1.15 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.77 3khx h TYR 215 CO 0.53 0.06 0.00 0.27 -1.05 0.00 0.00 178.16 177.97 3khx n ASN 216 N -4.48 4.02 -4.35 3.88 6.94 -1.26 -4.00 115.26 116.01 3khx n ASN 216 Ca 0.23 -2.67 -0.30 0.00 -0.02 0.00 0.00 54.58 51.82 3khx n ASN 216 Cb 0.92 -0.49 -0.15 0.00 -2.36 0.00 0.00 39.78 37.70 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 -2.21 1.90 -0.06 -3.83 -1.94 -1.08 -3.84 119.30 108.22 3khx s MET 217 Ca 0.41 -1.06 -0.30 0.00 -1.71 0.00 0.00 55.69 53.03 3khx s MET 217 Cb 0.30 -2.02 -0.05 0.00 2.01 0.00 0.00 34.83 35.07 3khx s MET 217 CO 0.14 0.53 1.54 0.08 -0.01 0.00 0.00 175.02 177.30 3khx s VAL 218 N -0.78 3.72 0.21 -6.03 1.01 0.84 -4.43 120.40 114.93 3khx s VAL 218 Ca 0.12 0.92 -0.32 0.00 0.00 0.00 0.00 61.98 62.69 3khx s VAL 218 Cb -0.10 -3.59 -0.12 0.00 0.00 0.00 0.00 36.38 32.56 3khx s VAL 218 CO 0.02 -0.07 1.67 -2.65 0.00 0.00 0.00 175.10 174.07 3khx n PRO 219 N 6.72 2.64 0.00 2.72 -0.02 -1.26 -4.28 135.00 141.52 3khx n PRO 219 Ca 0.16 0.95 0.12 0.00 -2.02 0.00 0.00 63.50 62.71 3khx n PRO 219 Cb 0.43 -2.77 0.12 0.00 -0.02 0.00 0.00 33.50 31.26 3khx n PRO 219 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3khx n ASP 220 N 3.56 2.73 -3.92 2.55 5.68 -1.26 -2.23 116.55 123.67 3khx n ASP 220 Ca 0.15 -1.88 -0.14 0.00 -0.50 0.00 0.00 54.79 52.42 3khx n ASP 220 Cb 0.34 0.07 -0.14 0.00 -1.14 0.00 0.00 41.12 40.25 3khx n ASP 220 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3khx s HIS 221 N -2.07 0.24 -0.04 2.11 5.04 -1.26 0.24 115.29 119.54 3khx s HIS 221 Ca 0.27 -0.08 -0.04 0.00 -1.54 0.00 0.00 55.06 53.67 3khx s HIS 221 Cb 0.20 -0.15 0.01 0.00 0.04 0.00 0.00 32.58 32.68 3khx s HIS 221 CO 0.34 -0.02 0.11 0.00 -2.34 0.00 0.00 174.74 172.84 3khx s ALA 222 N -0.18 -0.27 -0.03 1.58 0.00 -0.09 -3.86 121.76 118.91 3khx s ALA 222 Ca -0.00 0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.30 3khx s ALA 222 Cb -0.02 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.93 3khx s ALA 222 CO -0.00 -0.06 0.02 -2.00 0.00 0.00 0.00 175.76 173.72 3khx s GLU 223 N 0.16 0.18 -0.07 0.00 2.12 -0.58 -0.45 118.70 120.07 3khx s GLU 223 Ca -0.01 0.17 0.06 0.00 0.36 0.00 0.00 54.97 55.55 3khx s GLU 223 Cb -0.02 -0.50 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 3khx s GLU 223 CO -0.00 -0.20 -0.24 0.00 -0.54 0.00 0.00 175.26 174.27 3khx s ALA 224 N 1.39 2.12 -0.14 6.30 0.00 0.08 -1.38 121.76 130.12 3khx s ALA 224 Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3khx s ALA 224 Cb -0.13 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3khx s ALA 224 CO -0.03 0.38 -0.15 1.03 0.00 0.00 0.00 175.76 176.99 3khx s ARG 225 N -0.04 3.26 -0.07 0.00 0.52 -0.62 -0.63 118.95 121.37 3khx s ARG 225 Ca -0.07 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3khx s ARG 225 Cb -0.14 -2.61 0.02 0.00 0.52 0.00 0.00 34.95 32.74 3khx s ARG 225 CO 0.05 0.08 -0.04 0.08 0.02 0.00 0.00 175.30 175.49 3khx s VAL 226 N 0.65 0.61 -0.41 3.52 1.01 0.01 -1.22 120.40 124.57 3khx s VAL 226 Ca -0.08 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 3khx s VAL 226 Cb -0.16 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3khx s VAL 226 CO 0.02 0.27 1.17 -0.22 0.00 0.00 0.00 175.10 176.35 3khx s LEU 227 N 1.38 3.74 -0.28 3.92 2.96 0.05 -0.47 118.68 129.97 3khx s LEU 227 Ca -0.03 0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 54.49 3khx s LEU 227 Cb -0.13 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3khx s LEU 227 CO -0.03 -1.16 0.32 -0.69 -1.32 0.00 0.00 176.35 173.47 3khx s VAL 228 N 4.36 5.21 0.02 1.68 1.01 -0.56 -1.58 120.40 130.54 3khx s VAL 228 Ca 0.50 0.37 -0.20 0.00 0.00 0.00 0.00 61.98 62.65 3khx s VAL 228 Cb -0.10 -3.67 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 3khx s VAL 228 CO 0.27 0.14 1.26 0.50 0.00 0.00 0.00 175.10 177.27 3khx h LYS 229 N 8.28 0.36 0.00 2.72 3.64 -1.21 -3.46 116.57 126.89 3khx h LYS 229 Ca -0.32 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3khx h LYS 229 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3khx h LYS 229 CO 0.62 0.85 0.00 0.39 -2.27 0.00 0.00 179.45 179.04 3khx n GLU 230 N -4.47 0.00 -2.97 1.90 1.02 -1.26 -5.05 120.64 109.81 3khx n GLU 230 Ca -0.07 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.63 3khx n GLU 230 Cb 0.44 -0.03 -0.03 0.00 -0.02 0.00 0.00 31.44 31.80 3khx n GLU 230 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3khx s ASN 231 N -4.53 6.46 0.12 1.62 2.47 -1.26 -4.86 114.94 114.95 3khx s ASN 231 Ca 0.00 -1.74 -0.08 0.00 0.42 0.00 0.00 52.86 51.46 3khx s ASN 231 Cb 0.00 -2.37 -0.12 0.00 -1.45 0.00 0.00 41.25 37.30 3khx s ASN 231 CO 0.00 -1.13 1.29 -0.03 -3.72 0.00 0.00 177.10 173.51 3khx h MET 232 N 8.99 0.54 -0.53 0.43 1.85 -1.97 -3.37 114.93 120.88 3khx h MET 232 Ca -0.03 -0.54 -0.12 0.00 -0.61 0.00 0.00 59.70 58.41 3khx h MET 232 Cb 1.05 0.15 -0.02 0.00 0.43 0.00 0.00 31.60 33.21 3khx h MET 232 CO 1.10 1.17 -0.12 0.00 -0.40 0.00 0.00 176.91 178.66 3khx h THR 233 N 0.32 1.27 -0.53 -0.77 1.03 -2.00 -2.68 112.91 109.55 3khx h THR 233 Ca -0.08 -1.28 -0.02 0.00 -0.01 0.00 0.00 66.41 65.02 3khx h THR 233 Cb 1.56 1.01 -0.02 0.00 -1.07 0.00 0.00 68.15 69.62 3khx h THR 233 CO 0.17 0.45 0.25 0.44 -0.01 0.00 0.00 175.52 176.82 3khx h ASP 234 N 0.88 0.71 -0.11 0.00 3.32 -2.00 -1.92 116.42 117.30 3khx h ASP 234 Ca 0.13 -0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3khx h ASP 234 Cb 0.69 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3khx h ASP 234 CO 0.05 0.65 -0.32 0.58 -1.72 0.00 0.00 179.24 178.47 3khx h VAL 235 N 0.72 1.28 -0.27 -1.35 2.07 -1.70 0.11 116.25 117.12 3khx h VAL 235 Ca 0.18 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.22 3khx h VAL 235 Cb 0.13 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3khx h VAL 235 CO -0.02 0.46 0.02 0.40 0.02 0.00 0.00 177.57 178.45 3khx h ILE 236 N 0.51 1.25 -0.26 4.57 2.04 -1.42 -0.97 117.51 123.22 3khx h ILE 236 Ca 0.06 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3khx h ILE 236 Cb 0.81 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3khx h ILE 236 CO 0.07 0.28 0.15 1.56 0.00 0.00 0.00 178.15 180.21 3khx h GLN 237 N 0.26 0.35 -0.89 2.37 4.20 -1.05 -2.08 115.11 118.27 3khx h GLN 237 Ca 0.08 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3khx h GLN 237 Cb 0.39 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3khx h GLN 237 CO 0.01 0.28 0.58 -0.44 -0.67 0.00 0.00 178.83 178.59 3khx h ASP 238 N 0.32 1.04 -0.53 1.46 3.32 -0.78 -1.75 116.42 119.50 3khx h ASP 238 Ca 0.09 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3khx h ASP 238 Cb 0.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3khx h ASP 238 CO -0.02 0.76 0.32 0.15 -1.72 0.00 0.00 179.24 178.74 3khx h PHE 239 N 1.21 0.61 -0.50 4.55 3.57 -0.97 0.21 116.94 125.62 3khx h PHE 239 Ca 0.32 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.77 3khx h PHE 239 Cb -0.12 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 3khx h PHE 239 CO -0.01 0.36 0.03 0.93 -2.23 0.00 0.00 178.31 177.39 3khx h GLU 240 N 0.65 0.82 -0.50 1.11 5.08 -0.87 0.12 114.58 120.98 3khx h GLU 240 Ca 0.21 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3khx h GLU 240 Cb -0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3khx h GLU 240 CO -0.08 0.80 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.80 3khx h TYR 241 N 0.77 0.98 -0.15 4.33 3.20 -0.78 -0.76 116.97 124.56 3khx h TYR 241 Ca 0.15 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.86 3khx h TYR 241 Cb 0.42 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3khx h TYR 241 CO 0.02 0.92 0.04 0.35 -1.64 0.00 0.00 178.16 177.85 3khx h PHE 242 N 0.76 0.08 -0.37 -3.82 3.57 0.01 0.11 116.94 117.27 3khx h PHE 242 Ca 0.14 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.72 3khx h PHE 242 Cb 0.54 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 3khx h PHE 242 CO 0.04 0.04 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.07 3khx h LEU 243 N 0.11 -0.18 -0.23 0.59 3.38 -0.68 -1.97 115.31 116.33 3khx h LEU 243 Ca 0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3khx h LEU 243 Cb 0.04 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3khx h LEU 243 CO -0.07 -0.05 0.15 -0.08 0.09 0.00 0.00 178.44 178.47 3khx h GLU 244 N 0.09 0.31 -0.06 1.13 4.22 -0.69 -1.18 114.58 118.40 3khx h GLU 244 Ca 0.18 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.53 3khx h GLU 244 Cb 0.26 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3khx h GLU 244 CO -0.31 0.23 -0.26 1.96 -2.18 0.00 0.00 179.01 178.44 3khx h GLN 245 N 0.30 0.10 -0.62 1.92 1.08 -0.44 -2.73 115.11 114.73 3khx h GLN 245 Ca 0.08 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3khx h GLN 245 Cb -0.01 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3khx h GLN 245 CO -0.02 0.36 0.00 0.09 -0.95 0.00 0.00 178.83 178.32 3khx n ASN 246 N -4.19 4.04 -3.58 1.46 4.13 -0.77 -4.99 115.26 111.35 3khx n ASN 246 Ca -0.02 -2.19 -0.22 0.00 1.68 0.00 0.00 54.58 53.84 3khx n ASN 246 Cb 0.34 -0.48 0.02 0.00 -1.54 0.00 0.00 39.78 38.12 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 1.19 -2.20 -4.27 3.10 8.25 -0.70 -5.01 115.22 115.59 3khx n HIS 247 Ca 0.23 0.73 -0.18 0.00 -0.26 0.00 0.00 57.72 58.24 3khx n HIS 247 Cb 0.69 -3.35 -0.11 0.00 1.12 0.00 0.00 29.99 28.34 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 -5.41 2.45 0.01 2.41 1.02 -0.53 -5.05 118.68 113.58 3khx s LEU 248 Ca 0.20 -0.88 -0.01 0.00 0.02 0.00 0.00 54.13 53.47 3khx s LEU 248 Cb -0.08 -0.56 -0.04 0.00 0.02 0.00 0.00 46.19 45.54 3khx s LEU 248 CO 0.85 -0.17 0.12 0.00 0.02 0.00 0.00 176.35 177.17 3khx s GLN 249 N -3.01 3.17 0.00 1.70 -2.07 -1.26 -4.66 119.66 113.53 3khx s GLN 249 Ca 0.13 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 3khx s GLN 249 Cb -0.03 -2.92 0.00 0.00 -1.09 0.00 0.00 33.01 28.97 3khx s GLN 249 CO 0.03 0.65 0.00 0.41 -1.32 0.00 0.00 175.29 175.06 3khx n GLY 250 N 1.00 -0.73 3.82 2.60 0.00 -1.26 -0.31 105.19 110.31 3khx n GLY 250 Ca -0.12 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.02 0.12 1.61 -4.77 0.05 -4.99 116.67 108.67 3khx s ASP 251 Ca 0.00 -1.03 0.05 0.00 -3.30 0.00 0.00 52.55 48.27 3khx s ASP 251 Cb 0.00 0.79 -0.04 0.00 -1.09 0.00 0.00 42.92 42.58 3khx s ASP 251 CO 0.00 -1.56 -0.13 -0.94 0.70 0.00 0.00 175.17 173.24 3khx s SER 252 N -3.10 1.88 0.01 2.11 1.04 -1.25 -0.46 113.70 113.93 3khx s SER 252 Ca 0.16 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.79 3khx s SER 252 Cb -0.05 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 3khx s SER 252 CO 0.10 -0.17 -0.05 -0.89 0.98 0.00 0.00 173.24 173.21 3khx s THR 253 N -2.24 0.38 -0.02 2.02 2.01 0.15 -4.95 115.64 113.00 3khx s THR 253 Ca 0.08 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.69 3khx s THR 253 Cb -0.04 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 3khx s THR 253 CO 0.02 -0.05 -0.16 0.54 -0.69 0.00 0.00 174.62 174.28 3khx s VAL 254 N -0.49 1.28 -0.28 3.82 0.11 -1.26 0.87 120.40 124.45 3khx s VAL 254 Ca -0.02 -0.68 -0.09 0.00 -2.93 0.00 0.00 61.98 58.26 3khx s VAL 254 Cb -0.04 -1.08 0.12 0.00 -1.53 0.00 0.00 36.38 33.86 3khx s VAL 254 CO -0.00 0.37 0.61 -0.62 -3.33 0.00 0.00 175.10 172.13 3khx s ASP 255 N -0.26 -1.01 -1.53 3.54 -1.08 -0.68 -4.96 116.67 110.68 3khx s ASP 255 Ca 0.04 1.49 -0.09 0.00 -0.52 0.00 0.00 52.55 53.46 3khx s ASP 255 Cb -0.07 2.16 0.07 0.00 -1.46 0.00 0.00 42.92 43.62 3khx s ASP 255 CO 0.00 -0.22 0.66 -1.20 0.52 0.00 0.00 175.17 174.93 3khx n SER 256 N 5.44 -2.18 0.00 -0.34 7.64 -1.26 0.21 113.62 123.13 3khx n SER 256 Ca -0.11 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.80 3khx n SER 256 Cb 0.49 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 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 -1.71 1.21 3.56 0.23 0.00 -1.26 -5.00 105.19 102.22 3khx n GLY 257 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.51 5.24 -0.22 -0.61 1.01 0.13 -1.50 121.20 121.75 3khx s ILE 258 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 3khx s ILE 258 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3khx s ILE 258 CO 0.00 0.04 0.29 -0.22 0.00 0.00 0.00 174.94 175.04 3khx s LEU 259 N 1.87 4.14 -0.31 2.97 2.96 0.37 -1.69 118.68 129.00 3khx s LEU 259 Ca 0.09 0.34 -0.08 0.00 -0.22 0.00 0.00 54.13 54.26 3khx s LEU 259 Cb -0.17 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.21 3khx s LEU 259 CO 0.11 -0.00 0.12 -0.69 -1.32 0.00 0.00 176.35 174.56 3khx s VAL 260 N 1.14 4.21 -0.19 1.68 1.01 0.25 -0.81 120.40 127.70 3khx s VAL 260 Ca 0.14 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 3khx s VAL 260 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3khx s VAL 260 CO 0.06 0.02 0.05 -0.76 0.00 0.00 0.00 175.10 174.47 3khx s LEU 261 N 1.53 3.67 -0.04 3.92 1.43 0.20 -0.67 118.68 128.71 3khx s LEU 261 Ca 0.03 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3khx s LEU 261 Cb -0.18 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.13 3khx s LEU 261 CO 0.04 0.13 -0.05 0.28 0.23 0.00 0.00 176.35 176.98 3khx s THR 262 N 0.64 0.56 -0.09 5.49 -1.32 0.39 -0.74 115.64 120.57 3khx s THR 262 Ca 0.03 -0.14 0.05 0.00 -1.21 0.00 0.00 61.69 60.41 3khx s THR 262 Cb -0.13 -0.57 -0.00 0.00 -1.51 0.00 0.00 72.50 70.28 3khx s THR 262 CO 0.02 0.23 -0.24 -0.69 -2.21 0.00 0.00 174.62 171.72 3khx s VAL 263 N 0.84 2.03 0.04 5.08 1.01 0.41 -0.77 120.40 129.04 3khx s VAL 263 Ca -0.12 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.68 3khx s VAL 263 Cb -0.14 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 3khx s VAL 263 CO 0.00 0.56 0.48 -1.61 0.00 0.00 0.00 175.10 174.53 3khx s GLU 264 N 0.19 4.03 0.33 2.72 0.41 0.57 -0.91 118.70 126.04 3khx s GLU 264 Ca -0.14 0.55 0.01 0.00 -0.41 0.00 0.00 54.97 54.97 3khx s GLU 264 Cb -0.17 -3.21 -0.01 0.00 -1.78 0.00 0.00 34.13 28.97 3khx s GLU 264 CO 0.07 0.66 0.40 0.20 -0.49 0.00 0.00 175.26 176.10 3khx s GLY 265 N -1.14 1.76 -0.06 -1.39 0.00 0.65 -4.24 107.32 102.90 3khx s GLY 265 Ca 0.27 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 43.31 3khx s GLY 265 CO 0.16 -1.16 -0.11 1.25 0.00 0.00 0.00 173.10 173.24 3khx s LYS 266 N -3.21 2.64 0.00 2.90 2.47 -0.76 -4.32 119.74 119.46 3khx s LYS 266 Ca 0.34 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 54.12 3khx s LYS 266 Cb 0.01 -2.48 0.00 0.00 -1.46 0.00 0.00 37.83 33.90 3khx s LYS 266 CO 0.22 0.62 0.00 0.00 0.16 0.00 0.00 175.35 176.36 3khx n ALA 267 N 2.33 0.00 0.00 3.13 0.00 -1.26 0.48 120.51 125.19 3khx n ALA 267 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3khx n ALA 267 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3khx n ALA 267 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3khx n VAL 268 N 0.00 0.00 -1.50 0.00 0.24 -1.26 -4.19 118.33 111.61 3khx n VAL 268 Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3khx n VAL 268 Cb 0.00 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.45 3khx n VAL 268 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3khx n HIS 269 N 0.00 0.00 -2.92 6.34 -0.00 -1.25 0.29 115.22 117.68 3khx n HIS 269 Ca 0.00 -0.54 -0.13 0.00 -0.00 0.00 0.00 57.72 57.05 3khx n HIS 269 Cb 0.00 -0.10 0.03 0.00 -0.00 0.00 0.00 29.99 29.92 3khx n HIS 269 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3khx n GLY 276 N -0.77 1.75 2.74 -1.41 0.00 -1.12 -4.54 105.19 101.82 3khx n GLY 276 Ca 0.09 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.73 0.05 -0.11 1.61 1.01 0.18 -4.81 120.40 117.59 3khx s VAL 277 Ca 0.30 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 3khx s VAL 277 Cb 0.30 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 36.38 3khx s VAL 277 CO -0.08 0.17 2.02 0.21 0.00 0.00 0.00 175.10 177.42 3khx s ASN 278 N 1.69 6.01 0.11 3.32 3.84 -1.26 -1.82 114.94 126.82 3khx s ASN 278 Ca -0.01 2.17 -0.13 0.00 0.21 0.00 0.00 52.86 55.11 3khx s ASN 278 Cb -0.13 -2.52 -0.08 0.00 -0.55 0.00 0.00 41.25 37.97 3khx s ASN 278 CO -0.03 -1.48 1.42 0.00 -2.79 0.00 0.00 177.10 174.22 3khx h ALA 279 N 12.56 0.45 -0.39 1.71 0.00 -1.75 -3.22 119.26 128.61 3khx h ALA 279 Ca -0.43 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.00 3khx h ALA 279 Cb 1.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3khx h ALA 279 CO 0.96 0.57 0.16 0.78 0.00 0.00 0.00 179.25 181.71 3khx h GLY 280 N 0.57 0.63 1.03 0.00 0.00 -1.81 -1.08 103.07 102.41 3khx h GLY 280 Ca 0.03 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 3khx h GLY 280 CO 0.10 0.32 0.28 1.41 0.00 0.00 0.00 176.54 178.65 3khx h LEU 281 N 0.49 1.01 -0.47 3.11 3.38 -1.95 -0.39 115.31 120.49 3khx h LEU 281 Ca 0.13 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3khx h LEU 281 Cb 0.19 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3khx h LEU 281 CO -0.01 0.91 0.04 1.88 0.09 0.00 0.00 178.44 181.35 3khx h TYR 282 N 1.04 0.87 -0.68 1.13 0.05 -1.55 -1.56 116.97 116.27 3khx h TYR 282 Ca 0.24 -0.14 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 3khx h TYR 282 Cb 0.23 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 3khx h TYR 282 CO 0.02 0.82 0.31 1.25 -1.05 0.00 0.00 178.16 179.51 3khx h LEU 283 N 0.67 0.88 -1.13 3.88 5.85 -0.63 -1.18 115.31 123.66 3khx h LEU 283 Ca 0.14 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3khx h LEU 283 Cb 0.45 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3khx h LEU 283 CO 0.02 0.76 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.50 3khx h LEU 284 N 0.97 0.21 -0.73 2.25 3.38 -0.96 -1.78 115.31 118.64 3khx h LEU 284 Ca 0.23 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3khx h LEU 284 Cb 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3khx h LEU 284 CO -0.03 0.52 -0.04 0.50 0.09 0.00 0.00 178.44 179.49 3khx h LYS 285 N 0.19 0.93 -0.50 1.13 1.63 -0.23 -2.05 116.57 117.66 3khx h LYS 285 Ca 0.03 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.47 3khx h LYS 285 Cb 0.65 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 3khx h LYS 285 CO 0.05 0.94 0.05 0.35 -3.45 0.00 0.00 179.45 177.39 3khx h PHE 286 N 0.85 0.92 0.00 1.91 3.04 -0.86 -3.04 116.94 119.76 3khx h PHE 286 Ca 0.15 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3khx h PHE 286 Cb 0.55 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.82 3khx h PHE 286 CO 0.03 0.85 0.00 -0.07 -2.02 0.00 0.00 178.31 177.10 3khx h LEU 287 N 0.72 0.00 -1.23 0.59 3.38 -0.65 -2.65 115.31 115.48 3khx h LEU 287 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3khx h LEU 287 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3khx h LEU 287 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3khx h ALA 288 N 2.01 1.00 0.00 1.53 0.00 -1.31 -2.65 119.26 119.84 3khx h ALA 288 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3khx h ALA 288 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3khx h ALA 288 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.12 3khx n SER 289 N -3.06 0.29 -4.92 0.00 3.41 -1.00 -4.87 113.62 103.47 3khx n SER 289 Ca 0.01 0.56 -0.23 0.00 -0.26 0.00 0.00 58.87 58.95 3khx n SER 289 Cb 0.33 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 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 4.20 -0.66 1.04 1.43 -1.00 -5.05 118.68 115.02 3khx s LEU 290 Ca 0.07 0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 52.94 3khx s LEU 290 Cb 0.10 -2.75 0.04 0.00 0.03 0.00 0.00 46.19 43.61 3khx s LEU 290 CO 0.35 -0.01 1.13 0.20 0.23 0.00 0.00 176.35 178.24 3khx s ASN 291 N -3.63 6.25 0.41 2.29 -0.87 -1.26 -5.02 114.94 113.11 3khx s ASN 291 Ca 0.34 -0.45 0.08 0.00 -1.57 0.00 0.00 52.86 51.26 3khx s ASN 291 Cb -0.10 -2.50 -0.01 0.00 -0.02 0.00 0.00 41.25 38.62 3khx s ASN 291 CO 0.28 -1.57 0.47 -0.76 -2.57 0.00 0.00 177.10 172.94 3khx s LEU 292 N 4.88 3.57 0.77 0.60 1.43 -1.26 -2.01 118.68 126.67 3khx s LEU 292 Ca 0.33 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.76 3khx s LEU 292 Cb -0.11 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.78 3khx s LEU 292 CO 0.17 -0.66 1.17 1.51 0.23 0.00 0.00 176.35 178.76 3khx s ASP 293 N -4.23 3.98 0.23 2.29 -4.77 -0.92 -4.72 116.67 108.53 3khx s ASP 293 Ca 0.51 2.23 -0.16 0.00 -3.30 0.00 0.00 52.55 51.82 3khx s ASP 293 Cb -0.07 -2.57 0.26 0.00 -1.09 0.00 0.00 42.92 39.45 3khx s ASP 293 CO 0.30 -2.40 1.56 0.78 0.70 0.00 0.00 175.17 176.12 3khx h ASN 294 N -0.75 -1.25 -0.14 2.11 -0.26 -1.95 -1.07 115.58 112.27 3khx h ASN 294 Ca -0.46 0.29 -0.18 0.00 -0.56 0.00 0.00 56.30 55.38 3khx h ASN 294 Cb 1.28 0.68 0.01 0.00 -1.06 0.00 0.00 38.32 39.23 3khx h ASN 294 CO 0.48 -0.30 -0.63 0.78 -1.06 0.00 0.00 177.43 176.71 3khx h ASN 295 N -0.03 0.79 -0.33 5.81 -0.26 -1.91 -2.28 115.58 117.37 3khx h ASN 295 Ca 0.35 -0.63 -0.03 0.00 -0.56 0.00 0.00 56.30 55.43 3khx h ASN 295 Cb 0.61 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 3khx h ASN 295 CO -0.92 1.29 0.13 0.00 -1.06 0.00 0.00 177.43 176.87 3khx h ALA 296 N 0.52 1.50 -0.16 -0.83 0.00 -1.84 -1.31 119.26 117.14 3khx h ALA 296 Ca -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3khx h ALA 296 Cb 1.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3khx h ALA 296 CO 0.13 0.38 -0.02 0.37 0.00 0.00 0.00 179.25 180.12 3khx h GLN 297 N 0.56 0.29 -0.50 0.00 4.15 -1.00 0.39 115.11 119.00 3khx h GLN 297 Ca 0.14 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3khx h GLN 297 Cb 0.15 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3khx h GLN 297 CO -0.01 0.54 0.21 0.00 -1.93 0.00 0.00 178.83 177.64 3khx h ALA 298 N 0.75 0.65 0.17 3.38 0.00 -1.36 0.27 119.26 123.11 3khx h ALA 298 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3khx h ALA 298 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3khx h ALA 298 CO 0.01 0.25 -0.08 0.35 0.00 0.00 0.00 179.25 179.77 3khx h PHE 299 N 0.67 -0.22 -0.98 0.00 3.04 -0.94 0.14 116.94 118.66 3khx h PHE 299 Ca 0.17 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.14 3khx h PHE 299 Cb 0.17 0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.70 3khx h PHE 299 CO 0.00 -0.12 0.64 0.28 -2.02 0.00 0.00 178.31 177.09 3khx h VAL 300 N -0.25 1.21 -0.43 1.41 2.07 -0.18 -2.93 116.25 117.15 3khx h VAL 300 Ca -0.02 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 3khx h VAL 300 Cb 0.19 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 3khx h VAL 300 CO 0.04 0.23 -0.20 0.00 0.02 0.00 0.00 177.57 177.66 3khx h ALA 301 N 1.38 0.83 -0.44 1.67 0.00 -0.12 -2.51 119.26 120.07 3khx h ALA 301 Ca 0.37 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3khx h ALA 301 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3khx h ALA 301 CO -0.10 0.64 0.20 0.35 0.00 0.00 0.00 179.25 180.34 3khx h PHE 302 N 0.75 0.36 -0.41 0.00 3.57 -0.54 -0.04 116.94 120.63 3khx h PHE 302 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3khx h PHE 302 Cb 0.73 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3khx h PHE 302 CO 0.04 0.17 0.17 1.03 -2.23 0.00 0.00 178.31 177.49 3khx h SER 303 N 0.40 0.52 0.38 0.41 0.87 -1.38 -1.86 113.55 112.89 3khx h SER 303 Ca 0.20 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.53 3khx h SER 303 Cb 0.14 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3khx h SER 303 CO -0.16 0.47 -0.74 0.78 -0.53 0.00 0.00 176.83 176.65 3khx h ASN 304 N 0.57 0.36 0.37 6.23 2.35 -0.92 -0.13 115.58 124.41 3khx h ASN 304 Ca 0.14 -0.24 -0.20 0.00 -0.55 0.00 0.00 56.30 55.45 3khx h ASN 304 Cb 0.11 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3khx h ASN 304 CO -0.02 0.97 -0.83 -0.09 -1.65 0.00 0.00 177.43 175.82 3khx h ARG 305 N 0.20 0.35 0.00 0.81 2.43 -0.70 -3.40 114.38 114.06 3khx h ARG 305 Ca -0.03 -0.33 -0.05 0.00 -0.81 0.00 0.00 59.98 58.76 3khx h ARG 305 Cb 1.31 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 3khx h ARG 305 CO 0.12 1.00 -1.25 0.66 -1.51 0.00 0.00 179.97 178.98 3khx n TYR 306 N -3.77 0.00 -0.04 2.20 4.01 -0.73 -4.91 117.16 113.92 3khx n TYR 306 Ca -0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.63 3khx n TYR 306 Cb 0.77 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.99 2.46 -4.67 7.72 4.32 -0.59 -4.20 117.00 120.05 3khx n LEU 307 Ca -0.05 -0.01 -0.42 0.00 -0.02 0.00 0.00 56.01 55.51 3khx n LEU 307 Cb 0.47 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 41.98 3khx n LEU 307 CO 0.09 0.53 1.50 0.12 -1.22 0.00 0.00 177.39 178.40 3khx s PHE 308 N -2.15 1.77 -1.36 -1.77 5.36 -0.16 -2.38 117.98 117.29 3khx s PHE 308 Ca -0.10 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 55.68 3khx s PHE 308 Cb 0.03 -4.14 0.02 0.00 -0.34 0.00 0.00 43.02 38.59 3khx s PHE 308 CO 0.17 -4.91 0.86 0.09 -1.46 0.00 0.00 175.22 169.96 3khx n ASN 309 N 6.71 -2.69 -3.22 6.13 5.03 -1.26 -4.94 115.26 121.02 3khx n ASN 309 Ca 0.18 -0.76 -0.25 0.00 0.87 0.00 0.00 54.58 54.63 3khx n ASN 309 Cb 0.40 -4.24 -0.06 0.00 -1.02 0.00 0.00 39.78 34.86 3khx n ASN 309 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3khx n SER 310 N -3.01 2.46 0.23 6.41 7.64 -1.00 -4.86 113.62 121.50 3khx n SER 310 Ca -0.18 -3.22 0.07 0.00 1.01 0.00 0.00 58.87 56.54 3khx n SER 310 Cb 0.63 -0.63 0.56 0.00 -1.01 0.00 0.00 64.21 63.76 3khx n SER 310 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3khx h ASP 311 N 3.67 0.00 -0.33 6.43 3.32 -1.83 -3.20 116.42 124.48 3khx h ASP 311 Ca 0.13 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 3khx h ASP 311 Cb 0.74 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.21 3khx h ASP 311 CO 0.68 0.15 -0.03 0.49 -1.72 0.00 0.00 179.24 178.80 3khx n PHE 312 N -4.24 1.06 0.00 4.55 3.72 -1.26 -1.81 117.46 119.48 3khx n PHE 312 Ca -0.02 -1.37 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 3khx n PHE 312 Cb 0.22 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 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 -0.95 2.85 0.38 1.37 0.00 -1.21 -4.15 105.19 103.48 3khx n GLY 313 Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 1.70 -0.10 0.00 1.61 4.39 -1.83 0.16 114.58 120.52 3khx h GLU 314 Ca 0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3khx h GLU 314 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3khx h GLU 314 CO 0.00 -0.07 0.00 0.87 -1.16 0.00 0.00 179.01 178.65 3khx h LYS 315 N -0.10 0.00 -0.39 2.33 1.57 -1.89 0.81 116.57 118.90 3khx h LYS 315 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3khx h LYS 315 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3khx h LYS 315 CO -0.83 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 176.72 3khx n MET 316 N -2.99 2.22 -3.68 3.15 2.81 0.49 -4.78 117.12 114.34 3khx n MET 316 Ca -0.02 -1.86 -0.23 0.00 -1.81 0.00 0.00 57.70 53.78 3khx n MET 316 Cb 0.15 -1.45 0.05 0.00 -0.71 0.00 0.00 33.22 31.26 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 1.36 -0.42 1.72 3.03 0.00 0.28 -4.90 105.19 106.27 3khx n GLY 317 Ca 0.18 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 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 -4.52 1.69 -3.61 1.61 2.81 -0.95 -5.01 117.12 109.14 3khx n MET 318 Ca -0.14 -3.22 -0.01 0.00 -1.81 0.00 0.00 57.70 52.53 3khx n MET 318 Cb 0.61 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.76 3khx n MET 318 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3khx s LYS 319 N -2.61 0.33 -0.21 0.03 3.01 -1.26 -4.69 119.74 114.34 3khx s LYS 319 Ca 0.37 -0.16 -0.05 0.00 -1.01 0.00 0.00 55.97 55.12 3khx s LYS 319 Cb 0.37 0.13 -0.02 0.00 -1.01 0.00 0.00 37.83 37.30 3khx s LYS 319 CO -0.06 -0.15 0.00 0.34 0.51 0.00 0.00 175.35 175.99 3khx s ASP 327 N -2.63 4.81 0.50 2.83 2.15 -1.26 -4.31 116.67 118.76 3khx s ASP 327 Ca 0.12 -0.22 -0.21 0.00 0.43 0.00 0.00 52.55 52.67 3khx s ASP 327 Cb 0.02 -1.83 -0.07 0.00 -0.30 0.00 0.00 42.92 40.75 3khx s ASP 327 CO -0.04 0.04 1.11 -0.69 -0.17 0.00 0.00 175.17 175.42 3khx s VAL 328 N 1.14 3.32 -0.05 1.11 1.01 -1.26 -4.54 120.40 121.13 3khx s VAL 328 Ca 0.03 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 3khx s VAL 328 Cb -0.14 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.88 3khx s VAL 328 CO 0.01 -0.12 0.11 0.28 0.00 0.00 0.00 175.10 175.39 3khx s THR 329 N -1.74 -0.04 -0.09 3.92 -1.32 0.93 -4.46 115.64 112.83 3khx s THR 329 Ca 0.68 0.16 0.03 0.00 -1.21 0.00 0.00 61.69 61.35 3khx s THR 329 Cb -0.23 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.57 3khx s THR 329 CO 0.28 0.07 -0.18 0.42 -2.21 0.00 0.00 174.62 173.00 3khx s THR 330 N 0.99 1.60 -0.14 5.08 -4.23 -0.75 -0.24 115.64 117.94 3khx s THR 330 Ca -0.08 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 3khx s THR 330 Cb -0.10 -1.42 -0.01 0.00 1.34 0.00 0.00 72.50 72.31 3khx s THR 330 CO -0.04 0.46 -0.14 0.21 -0.54 0.00 0.00 174.62 174.56 3khx s ASN 331 N 0.63 3.83 -0.72 3.99 2.47 0.32 -4.67 114.94 120.79 3khx s ASN 331 Ca -0.14 -0.40 -0.19 0.00 0.42 0.00 0.00 52.86 52.55 3khx s ASN 331 Cb -0.16 -1.59 0.12 0.00 -1.45 0.00 0.00 41.25 38.17 3khx s ASN 331 CO 0.04 0.12 0.86 -0.63 -3.72 0.00 0.00 177.10 173.78 3khx s ILE 332 N 0.59 4.82 -0.36 -5.21 1.09 -1.26 -0.97 121.20 119.90 3khx s ILE 332 Ca -0.08 -1.24 0.22 0.00 -1.10 0.00 0.00 60.65 58.45 3khx s ILE 332 Cb -0.16 -4.59 -0.30 0.00 -1.06 0.00 0.00 42.46 36.35 3khx s ILE 332 CO 0.03 -1.27 0.62 0.61 -0.10 0.00 0.00 174.94 174.83 3khx n GLY 333 N 5.18 -0.99 2.99 6.18 0.00 -0.87 -4.51 105.19 113.16 3khx n GLY 333 Ca 0.03 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.33 0.90 -0.13 1.61 1.01 -1.16 -3.53 120.40 115.77 3khx s VAL 334 Ca -0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3khx s VAL 334 Cb 0.15 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.75 3khx s VAL 334 CO 0.89 0.30 0.13 -0.63 0.00 0.00 0.00 175.10 175.79 3khx s ILE 335 N 0.60 -0.19 0.21 2.22 1.01 0.14 -0.84 121.20 124.34 3khx s ILE 335 Ca -0.11 0.09 0.08 0.00 0.00 0.00 0.00 60.65 60.72 3khx s ILE 335 Cb -0.14 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 3khx s ILE 335 CO 0.02 -0.07 -0.16 0.42 0.00 0.00 0.00 174.94 175.15 3khx s THR 336 N 2.23 1.86 -0.28 2.92 -4.23 -0.97 -0.93 115.64 116.24 3khx s THR 336 Ca 0.04 -2.18 -0.19 0.00 -1.18 0.00 0.00 61.69 58.17 3khx s THR 336 Cb -0.14 -2.04 0.09 0.00 1.34 0.00 0.00 72.50 71.75 3khx s THR 336 CO -0.08 -0.51 0.76 -0.47 -0.54 0.00 0.00 174.62 173.78 3khx s TYR 337 N -2.72 -0.89 0.22 3.99 5.04 -0.56 -0.93 117.35 121.50 3khx s TYR 337 Ca 0.22 1.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.75 3khx s TYR 337 Cb -0.02 0.47 -0.04 0.00 0.35 0.00 0.00 41.96 42.72 3khx s TYR 337 CO 0.08 -0.43 0.15 0.16 -1.34 0.00 0.00 175.55 174.17 3khx s ASP 338 N 1.12 0.39 0.11 4.32 -4.77 -1.26 -0.84 116.67 115.74 3khx s ASP 338 Ca -0.06 -1.45 -0.21 0.00 -3.30 0.00 0.00 52.55 47.53 3khx s ASP 338 Cb -0.05 0.41 -0.10 0.00 -1.09 0.00 0.00 42.92 42.09 3khx s ASP 338 CO -0.12 -0.87 1.75 0.78 0.70 0.00 0.00 175.17 177.41 3khx h ASN 339 N 2.55 0.14 0.26 2.11 -0.26 -1.79 0.51 115.58 119.11 3khx h ASN 339 Ca -0.34 -0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.38 3khx h ASN 339 Cb 1.25 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.46 3khx h ASN 339 CO 0.50 0.11 -0.30 -0.08 -1.06 0.00 0.00 177.43 176.61 3khx h GLU 340 N 0.15 -0.55 0.00 0.81 4.81 -1.96 -3.34 114.58 114.50 3khx h GLU 340 Ca 0.04 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3khx h GLU 340 Cb -0.01 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3khx h GLU 340 CO -0.01 -0.37 -1.42 0.09 -0.73 0.00 0.00 179.01 176.58 3khx n ASN 341 N -4.17 0.56 -1.29 1.04 5.03 -1.24 -5.01 115.26 110.18 3khx n ASN 341 Ca -0.07 0.22 -0.09 0.00 0.87 0.00 0.00 54.58 55.52 3khx n ASN 341 Cb 0.27 0.89 0.01 0.00 -1.02 0.00 0.00 39.78 39.93 3khx n ASN 341 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3khx n ALA 342 N -2.26 -0.36 -1.49 5.41 0.00 0.17 -4.76 120.51 117.22 3khx n ALA 342 Ca -0.04 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.62 3khx n ALA 342 Cb 0.62 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 3khx n ALA 342 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khx n GLY 343 N -1.04 -3.47 3.48 0.00 0.00 -1.25 -4.41 105.19 98.51 3khx n GLY 343 Ca -0.05 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 3khx n GLY 343 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3khx s LEU 344 N -6.53 -0.50 -0.11 0.99 0.05 -0.11 -2.96 118.68 109.51 3khx s LEU 344 Ca 0.00 0.19 0.02 0.00 0.05 0.00 0.00 54.13 54.40 3khx s LEU 344 Cb 0.00 2.32 -0.01 0.00 -2.05 0.00 0.00 46.19 46.46 3khx s LEU 344 CO 0.00 -0.72 -0.19 -0.36 -0.55 0.00 0.00 176.35 174.53 3khx s PHE 345 N -2.73 2.66 -0.37 3.48 0.08 0.10 -2.30 117.98 118.91 3khx s PHE 345 Ca -0.01 -0.81 -0.15 0.00 0.12 0.00 0.00 56.93 56.08 3khx s PHE 345 Cb -0.01 -1.75 -0.00 0.00 -0.57 0.00 0.00 43.02 40.69 3khx s PHE 345 CO -0.05 -0.29 0.34 0.20 -0.10 0.00 0.00 175.22 175.32 3khx s GLY 346 N 0.25 1.93 -0.12 4.36 0.00 -0.02 -0.26 107.32 113.45 3khx s GLY 346 Ca -0.13 -1.37 -0.05 0.00 0.00 0.00 0.00 44.72 43.18 3khx s GLY 346 CO 0.07 0.97 0.05 -0.42 0.00 0.00 0.00 173.10 173.77 3khx s ILE 347 N 1.94 4.74 -0.13 0.90 1.09 0.24 -2.04 121.20 127.93 3khx s ILE 347 Ca 0.10 -0.07 -0.04 0.00 -1.10 0.00 0.00 60.65 59.53 3khx s ILE 347 Cb -0.17 -3.05 -0.03 0.00 -1.06 0.00 0.00 42.46 38.14 3khx s ILE 347 CO 0.12 0.57 0.01 0.21 -0.10 0.00 0.00 174.94 175.75 3khx s ASN 348 N -0.56 5.26 -0.08 3.58 2.47 -0.14 -1.01 114.94 124.46 3khx s ASN 348 Ca 0.10 0.06 -0.01 0.00 0.42 0.00 0.00 52.86 53.44 3khx s ASN 348 Cb -0.12 -1.72 0.03 0.00 -1.45 0.00 0.00 41.25 37.99 3khx s ASN 348 CO 0.02 0.26 -0.03 -0.22 -3.72 0.00 0.00 177.10 173.42 3khx s LEU 349 N -0.18 0.82 -0.04 3.21 0.20 0.20 -0.52 118.68 122.37 3khx s LEU 349 Ca 0.05 -0.15 -0.01 0.00 0.69 0.00 0.00 54.13 54.72 3khx s LEU 349 Cb -0.12 -0.56 -0.04 0.00 -0.43 0.00 0.00 46.19 45.04 3khx s LEU 349 CO 0.02 -0.16 0.02 -0.13 -0.29 0.00 0.00 176.35 175.81 3khx s ARG 350 N 1.82 2.95 -0.08 1.98 1.81 0.67 -1.98 118.95 126.11 3khx s ARG 350 Ca 0.04 -0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 53.43 3khx s ARG 350 Cb -0.12 -2.78 0.03 0.00 -0.45 0.00 0.00 34.95 31.63 3khx s ARG 350 CO -0.06 0.67 0.35 1.52 -0.68 0.00 0.00 175.30 177.10 3khx s TYR 351 N -1.03 -0.31 0.67 -0.53 1.13 -1.14 -0.05 117.35 116.09 3khx s TYR 351 Ca 0.18 0.68 -0.11 0.00 -1.41 0.00 0.00 57.07 56.41 3khx s TYR 351 Cb -0.12 0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.86 3khx s TYR 351 CO 0.08 -0.28 1.05 -1.25 -2.51 0.00 0.00 175.55 172.64 3khx s PRO 352 N -0.46 3.14 0.07 -3.49 0.04 -1.26 0.13 135.00 133.16 3khx s PRO 352 Ca -0.06 0.87 -0.34 0.00 0.04 0.00 0.00 61.00 61.52 3khx s PRO 352 Cb -0.04 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 3khx s PRO 352 CO 0.02 -0.93 1.71 -1.91 0.04 0.00 0.00 177.00 175.92 3khx n GLU 353 N -3.01 2.21 0.00 4.56 4.07 -1.26 -2.98 120.64 124.23 3khx n GLU 353 Ca 0.07 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 57.97 3khx n GLU 353 Cb 0.54 -2.61 0.00 0.00 -0.06 0.00 0.00 31.44 29.31 3khx n GLU 353 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3khx n GLY 354 N 3.83 1.13 3.86 8.31 0.00 -1.26 -5.11 105.19 115.96 3khx n GLY 354 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3khx n GLY 354 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3khx s PHE 355 N -2.00 3.60 -0.77 1.61 -0.12 -1.16 -5.06 117.98 114.09 3khx s PHE 355 Ca 0.00 0.58 -0.16 0.00 -0.05 0.00 0.00 56.93 57.30 3khx s PHE 355 Cb 0.00 -2.01 0.17 0.00 -0.63 0.00 0.00 43.02 40.55 3khx s PHE 355 CO 0.00 0.69 0.79 -2.00 -0.05 0.00 0.00 175.22 174.65 3khx s GLU 356 N -0.92 3.42 0.14 1.99 2.12 -1.26 -4.89 118.70 119.30 3khx s GLU 356 Ca 0.16 -2.01 0.02 0.00 0.36 0.00 0.00 54.97 53.50 3khx s GLU 356 Cb -0.13 -4.48 -0.08 0.00 0.26 0.00 0.00 34.13 29.70 3khx s GLU 356 CO 0.05 -1.44 1.33 0.35 -0.54 0.00 0.00 175.26 175.01 3khx h PHE 357 N 8.40 0.26 0.20 5.30 3.57 -1.98 -2.96 116.94 129.73 3khx h PHE 357 Ca -0.01 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 3khx h PHE 357 Cb 1.05 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3khx h PHE 357 CO 0.98 1.02 -0.17 0.93 -2.23 0.00 0.00 178.31 178.84 3khx h GLU 358 N 0.08 -0.36 0.00 1.11 3.07 -1.99 -0.45 114.58 116.04 3khx h GLU 358 Ca -0.05 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3khx h GLU 358 Cb 1.62 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.61 3khx h GLU 358 CO 0.14 -0.24 0.00 1.57 -1.40 0.00 0.00 179.01 179.09 3khx h LYS 359 N -0.37 0.00 0.00 2.33 5.09 -2.00 -1.00 116.57 120.63 3khx h LYS 359 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.67 3khx h LYS 359 Cb 0.31 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.65 3khx h LYS 359 CO -0.01 0.00 -0.16 0.00 -2.09 0.00 0.00 179.45 177.19 3khx h ALA 360 N 2.04 0.01 0.00 0.07 0.00 -1.34 -2.59 119.26 117.45 3khx h ALA 360 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3khx h ALA 360 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3khx h ALA 360 CO 0.00 0.02 -0.31 1.98 0.00 0.00 0.00 179.25 180.94 3khx h MET 361 N -0.65 0.00 0.22 0.00 4.05 -0.39 -1.96 114.93 116.20 3khx h MET 361 Ca -0.02 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3khx h MET 361 Cb 0.96 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 3khx h MET 361 CO 0.03 0.31 -0.11 -0.44 0.23 0.00 0.00 176.91 176.94 3khx h ASP 362 N 0.00 -0.25 0.35 1.39 3.45 -1.22 0.18 116.42 120.32 3khx h ASP 362 Ca -0.00 -0.11 -0.05 0.00 0.43 0.00 0.00 57.03 57.30 3khx h ASP 362 Cb 0.71 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 3khx h ASP 362 CO 0.04 -0.03 -0.23 0.03 -1.57 0.00 0.00 179.24 177.48 3khx h ARG 363 N -0.46 0.00 0.06 3.56 3.08 -1.23 -2.23 114.38 117.16 3khx h ARG 363 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3khx h ARG 363 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3khx h ARG 363 CO 0.05 0.23 -0.03 0.35 -1.07 0.00 0.00 179.97 179.50 3khx h PHE 364 N 0.00 -0.08 -0.81 3.04 3.57 -1.15 -2.70 116.94 118.82 3khx h PHE 364 Ca -0.00 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 3khx h PHE 364 Cb 0.46 0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.12 3khx h PHE 364 CO 0.00 0.07 0.31 0.00 -2.23 0.00 0.00 178.31 176.46 3khx h ALA 365 N -0.89 1.18 -0.67 2.41 0.00 -0.66 -0.32 119.26 120.30 3khx h ALA 365 Ca -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3khx h ALA 365 Cb 0.18 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3khx h ALA 365 CO 0.01 -0.27 0.28 -2.95 0.00 0.00 0.00 179.25 176.32 3khx h ASN 366 N 0.40 0.92 1.20 0.00 -0.00 -1.53 -3.10 115.58 113.48 3khx h ASN 366 Ca 0.47 -0.17 0.00 0.00 -0.00 0.00 0.00 56.30 56.60 3khx h ASN 366 Cb 0.79 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.87 3khx h ASN 366 CO -0.47 0.84 0.00 -0.08 -0.00 0.00 0.00 177.43 177.72 3khx h GLU 367 N 0.95 0.00 0.00 4.14 4.81 -0.74 -3.28 114.58 120.46 3khx h GLU 367 Ca 0.23 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.17 3khx h GLU 367 Cb 0.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 3khx h GLU 367 CO -0.02 0.00 -1.65 0.97 -0.73 0.00 0.00 179.01 177.58 3khx h ILE 368 N 0.00 0.91 0.00 2.32 6.09 -1.24 -3.34 117.51 122.25 3khx h ILE 368 Ca 0.00 -2.75 0.00 0.00 -1.37 0.00 0.00 64.86 60.74 3khx h ILE 368 Cb 0.60 2.45 0.00 0.00 0.47 0.00 0.00 36.82 40.34 3khx h ILE 368 CO 0.00 0.52 0.15 1.56 -3.07 0.00 0.00 178.15 177.31 3khx h GLN 369 N 0.00 0.00 -0.71 2.19 7.50 -1.60 0.35 115.11 122.84 3khx h GLN 369 Ca -0.26 0.00 0.13 0.00 0.50 0.00 0.00 58.65 59.02 3khx h GLN 369 Cb 1.99 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 29.47 3khx h GLN 369 CO 0.08 0.00 0.47 0.37 -1.50 0.00 0.00 178.83 178.26 3khx h GLN 370 N 0.00 0.43 -0.81 1.46 4.15 -1.79 -2.79 115.11 115.76 3khx h GLN 370 Ca 0.00 -0.03 -0.57 0.00 0.77 0.00 0.00 58.65 58.83 3khx h GLN 370 Cb 0.30 -0.10 -0.35 0.00 0.21 0.00 0.00 27.48 27.54 3khx h GLN 370 CO 0.00 0.29 -0.15 0.66 -1.93 0.00 0.00 178.83 177.70 3khx n TYR 371 N -4.48 2.79 -4.16 3.99 4.02 0.12 -4.94 117.16 114.50 3khx n TYR 371 Ca 0.13 -2.46 -0.33 0.00 -0.01 0.00 0.00 57.90 55.23 3khx n TYR 371 Cb 0.46 -0.75 -0.05 0.00 -0.02 0.00 0.00 39.34 38.97 3khx n TYR 371 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3khx n GLY 372 N -0.82 -0.34 3.12 2.72 0.00 -1.05 -4.79 105.19 104.03 3khx n GLY 372 Ca 0.50 0.22 -0.17 0.00 0.00 0.00 0.00 46.02 46.57 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 -4.08 1.01 -0.01 1.61 0.08 -1.25 0.12 117.98 115.46 3khx s PHE 373 Ca 0.13 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.70 3khx s PHE 373 Cb -0.07 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 3khx s PHE 373 CO 0.96 0.01 0.10 -1.83 -0.10 0.00 0.00 175.22 174.36 3khx s GLU 374 N -1.50 0.31 0.12 0.44 -1.05 -0.44 -3.58 118.70 113.00 3khx s GLU 374 Ca -0.04 -0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 54.27 3khx s GLU 374 Cb -0.09 0.13 -0.07 0.00 -0.44 0.00 0.00 34.13 33.66 3khx s GLU 374 CO 0.01 -0.06 1.16 0.08 0.95 0.00 0.00 175.26 177.40 3khx s VAL 375 N -0.82 3.90 -0.28 1.83 1.01 -1.26 -2.05 120.40 122.73 3khx s VAL 375 Ca -0.09 1.49 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3khx s VAL 375 Cb -0.05 -3.95 0.07 0.00 0.00 0.00 0.00 36.38 32.45 3khx s VAL 375 CO 0.01 0.19 -0.05 -0.54 0.00 0.00 0.00 175.10 174.70 3khx s LYS 376 N 0.31 1.91 0.27 2.72 1.02 -0.30 -4.99 119.74 120.68 3khx s LYS 376 Ca 0.54 -1.47 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 3khx s LYS 376 Cb -0.30 -2.94 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 3khx s LYS 376 CO 0.33 -0.70 0.62 -1.17 -0.92 0.00 0.00 175.35 173.51 3khx s LEU 377 N 1.08 4.11 0.00 3.17 0.20 -1.26 -0.96 118.68 125.02 3khx s LEU 377 Ca -0.02 1.03 0.00 0.00 0.69 0.00 0.00 54.13 55.83 3khx s LEU 377 Cb -0.20 -3.81 0.00 0.00 -0.43 0.00 0.00 46.19 41.75 3khx s LEU 377 CO -0.07 -0.14 0.00 0.61 -0.29 0.00 0.00 176.35 176.47 3khx n GLY 378 N -0.31 1.49 3.77 7.98 0.00 0.31 -4.95 105.19 113.49 3khx n GLY 378 Ca 0.01 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 3khx n GLY 378 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3khx s LYS 379 N 2.63 3.73 -0.18 1.61 0.00 -1.26 -4.79 119.74 121.49 3khx s LYS 379 Ca 0.00 1.69 -0.01 0.00 0.00 0.00 0.00 55.97 57.65 3khx s LYS 379 Cb 0.00 -2.33 -0.00 0.00 0.00 0.00 0.00 37.83 35.50 3khx s LYS 379 CO 0.00 -0.55 -0.12 0.08 0.00 0.00 0.00 175.35 174.76 3khx s VAL 380 N -1.63 2.85 -0.26 1.79 1.01 -1.26 -3.89 120.40 119.01 3khx s VAL 380 Ca 0.65 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3khx s VAL 380 Cb -0.26 -2.24 0.05 0.00 0.00 0.00 0.00 36.38 33.93 3khx s VAL 380 CO 0.32 0.49 -0.09 -1.58 0.00 0.00 0.00 175.10 174.24 3khx s GLN 381 N 1.04 2.44 0.79 2.72 0.74 0.21 -4.97 119.66 122.63 3khx s GLN 381 Ca -0.01 -1.23 -0.11 0.00 0.05 0.00 0.00 55.36 54.07 3khx s GLN 381 Cb -0.15 -2.94 0.07 0.00 1.10 0.00 0.00 33.01 31.09 3khx s GLN 381 CO -0.03 -0.52 1.10 -2.14 -0.55 0.00 0.00 175.29 173.15 3khx s PRO 382 N 1.19 2.12 0.64 1.67 0.02 -1.26 0.26 135.00 139.63 3khx s PRO 382 Ca -0.05 1.24 -0.18 0.00 0.02 0.00 0.00 61.00 62.03 3khx s PRO 382 Cb -0.19 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 3khx s PRO 382 CO -0.05 -1.76 1.10 -2.30 -0.33 0.00 0.00 177.00 173.67 3khx n PRO 383 N -3.55 0.92 -3.58 5.54 -0.02 -1.26 -4.49 135.00 128.55 3khx n PRO 383 Ca 0.10 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.89 3khx n PRO 383 Cb 0.53 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.50 -0.19 0.18 6.00 -3.43 -0.68 -4.87 115.29 110.80 3khx s HIS 384 Ca 0.79 0.18 -0.29 0.00 -0.80 0.00 0.00 55.06 54.94 3khx s HIS 384 Cb -0.39 0.51 -0.08 0.00 -1.43 0.00 0.00 32.58 31.19 3khx s HIS 384 CO 0.44 -0.25 0.91 -0.47 -2.00 0.00 0.00 174.74 173.37 3khx s TYR 385 N -2.15 3.91 -0.31 0.38 5.04 -1.26 -0.22 117.35 122.75 3khx s TYR 385 Ca 0.07 1.82 0.02 0.00 -2.44 0.00 0.00 57.07 56.54 3khx s TYR 385 Cb -0.01 -2.96 0.09 0.00 0.35 0.00 0.00 41.96 39.43 3khx s TYR 385 CO -0.05 0.38 0.04 0.08 -1.34 0.00 0.00 175.55 174.67 3khx s VAL 386 N -0.77 1.70 0.17 3.14 1.01 -1.26 -4.91 120.40 119.48 3khx s VAL 386 Ca 0.42 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.36 3khx s VAL 386 Cb -0.24 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.02 3khx s VAL 386 CO 0.30 -0.51 1.60 -2.24 0.00 0.00 0.00 175.10 174.25 3khx h ASP 387 N 7.83 -1.03 0.35 3.32 3.04 -1.96 -1.34 116.42 126.63 3khx h ASP 387 Ca -0.10 0.19 -0.00 0.00 -3.24 0.00 0.00 57.03 53.87 3khx h ASP 387 Cb 1.03 0.49 -0.00 0.00 -1.04 0.00 0.00 39.33 39.81 3khx h ASP 387 CO 0.48 -0.31 -0.02 0.07 -2.04 0.00 0.00 179.24 177.43 3khx h LYS 388 N -0.23 0.00 -0.02 4.15 2.10 -1.98 0.29 116.57 120.88 3khx h LYS 388 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 3khx h LYS 388 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3khx h LYS 388 CO -0.54 0.02 -0.45 0.09 -2.00 0.00 0.00 179.45 176.57 3khx n ASN 389 N -3.20 2.08 -4.71 7.07 5.03 -0.59 -4.77 115.26 116.16 3khx n ASN 389 Ca -0.02 -1.54 -0.42 0.00 0.87 0.00 0.00 54.58 53.48 3khx n ASN 389 Cb 0.16 0.45 -0.03 0.00 -1.02 0.00 0.00 39.78 39.34 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 -2.45 6.80 0.28 6.41 2.15 0.10 -4.91 116.67 125.04 3khx s ASP 390 Ca 0.19 2.34 -0.01 0.00 0.43 0.00 0.00 52.55 55.50 3khx s ASP 390 Cb 0.18 -2.58 0.45 0.00 -0.30 0.00 0.00 42.92 40.67 3khx s ASP 390 CO 0.56 -0.68 1.89 -0.65 -0.17 0.00 0.00 175.17 176.12 3khx h PRO 391 N 6.95 1.10 0.17 4.34 0.11 -1.92 -1.12 132.00 141.63 3khx h PRO 391 Ca -0.42 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3khx h PRO 391 Cb 1.21 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3khx h PRO 391 CO 0.88 0.73 -0.08 0.35 -0.21 0.00 0.00 178.00 179.66 3khx h PHE 392 N 1.13 -0.22 -1.00 0.65 3.57 -1.91 -2.66 116.94 116.51 3khx h PHE 392 Ca 0.42 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 62.12 3khx h PHE 392 Cb 0.18 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.89 3khx h PHE 392 CO -0.00 0.18 0.61 0.28 -2.23 0.00 0.00 178.31 177.15 3khx h VAL 393 N -0.70 0.68 -0.43 1.41 2.07 -1.67 0.22 116.25 117.83 3khx h VAL 393 Ca -0.02 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3khx h VAL 393 Cb 0.50 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3khx h VAL 393 CO 0.04 0.13 -0.00 1.56 0.02 0.00 0.00 177.57 179.32 3khx h GLN 394 N 0.72 0.76 0.00 1.57 4.20 -1.25 -2.22 115.11 118.89 3khx h GLN 394 Ca 0.59 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 3khx h GLN 394 Cb 0.97 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3khx h GLN 394 CO -0.38 0.83 -0.01 0.87 -0.67 0.00 0.00 178.83 179.47 3khx h LYS 395 N 0.60 0.00 0.06 1.46 1.57 -0.26 0.10 116.57 120.10 3khx h LYS 395 Ca 0.12 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3khx h LYS 395 Cb 0.49 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3khx h LYS 395 CO 0.02 0.01 -0.37 -0.07 -0.57 0.00 0.00 179.45 178.47 3khx h LEU 396 N 0.00 0.21 -1.17 2.94 -0.00 -0.80 -2.79 115.31 113.70 3khx h LEU 396 Ca -0.00 -0.97 -0.02 0.00 -0.00 0.00 0.00 57.88 56.88 3khx h LEU 396 Cb 0.27 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 3khx h LEU 396 CO 0.00 1.17 0.28 -0.37 -0.00 0.00 0.00 178.44 179.53 3khx h VAL 397 N -0.71 1.20 -0.22 1.22 -1.51 -1.11 -0.22 116.25 114.90 3khx h VAL 397 Ca -0.06 -0.58 0.05 0.00 -1.23 0.00 0.00 66.70 64.88 3khx h VAL 397 Cb 1.28 0.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.87 3khx h VAL 397 CO 0.07 0.24 0.16 0.74 -1.23 0.00 0.00 177.57 177.55 3khx h THR 398 N 0.86 0.92 0.00 7.19 2.02 -1.00 -2.17 112.91 120.73 3khx h THR 398 Ca 0.21 -0.02 -0.18 0.00 0.77 0.00 0.00 66.41 67.19 3khx h THR 398 Cb 0.10 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3khx h THR 398 CO -0.03 0.01 -1.41 0.00 0.37 0.00 0.00 175.52 174.46 3khx h ALA 399 N 1.89 0.67 0.46 6.16 0.00 -0.87 -1.20 119.26 126.35 3khx h ALA 399 Ca 0.10 -0.90 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 3khx h ALA 399 Cb 0.33 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3khx h ALA 399 CO -0.01 0.98 -0.22 0.10 0.00 0.00 0.00 179.25 180.10 3khx h TYR 400 N 0.00 -0.57 -0.33 0.00 -0.00 -0.74 -2.15 116.97 113.18 3khx h TYR 400 Ca -0.17 -0.01 0.01 0.00 -0.00 0.00 0.00 58.73 58.56 3khx h TYR 400 Cb 1.62 0.19 -0.02 0.00 -0.00 0.00 0.00 36.73 38.52 3khx h TYR 400 CO 0.00 -0.33 0.19 0.07 -0.00 0.00 0.00 178.16 178.09 3khx h ARG 401 N -0.65 0.38 0.00 0.10 -0.00 -1.47 4.17 114.38 116.90 3khx h ARG 401 Ca -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 59.89 3khx h ARG 401 Cb 0.49 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 3khx h ARG 401 CO 0.10 0.25 0.11 -1.71 -0.00 0.00 0.00 179.97 178.72 3khx n ASN 402 N -4.91 0.34 0.00 0.08 2.85 -0.45 -3.66 115.26 109.51 3khx n ASN 402 Ca -0.00 0.61 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 3khx n ASN 402 Cb 0.05 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.45 3khx n ASN 402 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3khx n GLN 403 N -1.96 0.68 -5.06 1.20 6.02 0.98 -4.94 117.38 114.31 3khx n GLN 403 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 3khx n GLN 403 Cb 0.13 -0.63 -0.15 0.00 1.02 0.00 0.00 30.24 30.60 3khx n GLN 403 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3khx s THR 404 N -1.27 2.19 -0.11 5.09 -1.32 1.34 -5.05 115.64 116.52 3khx s THR 404 Ca 0.00 -1.22 0.15 0.00 -1.21 0.00 0.00 61.69 59.40 3khx s THR 404 Cb 0.00 -1.82 -0.08 0.00 -1.51 0.00 0.00 72.50 69.09 3khx s THR 404 CO 0.00 0.47 1.08 -0.55 -2.21 0.00 0.00 174.62 173.41 3khx h ASN 405 N 5.10 0.00 -3.49 8.08 -0.00 -1.86 -3.38 115.58 120.03 3khx h ASN 405 Ca -0.45 0.00 -0.61 0.00 -0.00 0.00 0.00 56.30 55.24 3khx h ASN 405 Cb 1.13 0.00 -0.40 0.00 -0.00 0.00 0.00 38.32 39.05 3khx h ASN 405 CO 0.46 0.62 -0.74 -1.10 -0.00 0.00 0.00 177.43 176.67 3khx s GLN 441 N -2.90 1.22 -0.27 4.14 -0.21 -1.26 -5.01 119.66 115.37 3khx s GLN 441 Ca -0.00 -1.87 -0.22 0.00 0.02 0.00 0.00 55.36 53.29 3khx s GLN 441 Cb 0.08 -2.35 0.07 0.00 1.00 0.00 0.00 33.01 31.82 3khx s GLN 441 CO 0.79 -1.12 0.71 -1.59 -2.12 0.00 0.00 175.29 171.96 3khx s LYS 442 N 0.56 0.79 -1.56 2.91 0.00 -1.26 -4.43 119.74 116.74 3khx s LYS 442 Ca 0.16 1.09 -0.14 0.00 0.00 0.00 0.00 55.97 57.08 3khx s LYS 442 Cb -0.23 0.30 0.10 0.00 0.00 0.00 0.00 37.83 38.00 3khx s LYS 442 CO -0.04 -0.12 0.88 0.09 0.00 0.00 0.00 175.35 176.16 3khx n ASN 443 N 3.32 -3.89 -4.72 0.03 4.13 -1.26 -4.90 115.26 107.98 3khx n ASN 443 Ca -0.16 -0.86 -0.42 0.00 1.68 0.00 0.00 54.58 54.81 3khx n ASN 443 Cb 0.57 -3.52 -0.03 0.00 -1.54 0.00 0.00 39.78 35.25 3khx n ASN 443 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 3khx s GLU 444 N -6.67 4.17 0.06 3.52 2.12 -1.26 -4.92 118.70 115.72 3khx s GLU 444 Ca 0.61 2.48 -0.01 0.00 0.36 0.00 0.00 54.97 58.40 3khx s GLU 444 Cb -0.31 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 3khx s GLU 444 CO 0.86 -0.68 -0.02 0.71 -0.54 0.00 0.00 175.26 175.59 3khx s TYR 445 N 1.26 0.55 -0.02 5.30 2.02 -1.26 -1.11 117.35 124.08 3khx s TYR 445 Ca 0.73 -1.08 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 3khx s TYR 445 Cb -0.46 -0.40 -0.00 0.00 -0.40 0.00 0.00 41.96 40.70 3khx s TYR 445 CO 0.32 -0.39 -0.10 -1.50 -1.57 0.00 0.00 175.55 172.30 3khx s ILE 446 N -3.93 0.88 0.46 2.71 2.07 0.76 -4.58 121.20 119.56 3khx s ILE 446 Ca 0.09 -0.43 -0.24 0.00 -1.41 0.00 0.00 60.65 58.66 3khx s ILE 446 Cb 0.08 -0.76 -0.07 0.00 0.13 0.00 0.00 42.46 41.83 3khx s ILE 446 CO -0.09 0.26 1.29 -0.89 -1.91 0.00 0.00 174.94 173.60 3khx s THR 447 N 0.05 2.58 0.53 4.00 2.01 -1.26 -0.46 115.64 123.09 3khx s THR 447 Ca -0.01 0.47 0.34 0.00 0.31 0.00 0.00 61.69 62.81 3khx s THR 447 Cb -0.08 -3.26 0.37 0.00 0.01 0.00 0.00 72.50 69.55 3khx s THR 447 CO 0.00 0.03 2.22 0.11 -0.69 0.00 0.00 174.62 176.30 3khx h LYS 448 N 2.17 0.00 0.06 4.92 1.57 -1.31 0.29 116.57 124.27 3khx h LYS 448 Ca -0.50 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.00 3khx h LYS 448 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3khx h LYS 448 CO 0.60 0.03 -1.50 0.87 -0.57 0.00 0.00 179.45 178.89 3khx h LYS 449 N 0.00 0.13 -0.46 3.15 1.57 -1.90 -1.26 116.57 117.81 3khx h LYS 449 Ca -0.00 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 3khx h LYS 449 Cb 0.14 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3khx h LYS 449 CO 0.00 0.93 -0.25 1.96 -0.57 0.00 0.00 179.45 181.52 3khx h GLN 450 N 0.04 0.98 -0.54 3.15 4.20 -1.83 -1.00 115.11 120.10 3khx h GLN 450 Ca -0.22 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.04 3khx h GLN 450 Cb 1.97 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.70 3khx h GLN 450 CO 0.13 1.11 0.29 1.25 -0.67 0.00 0.00 178.83 180.94 3khx h LEU 451 N 0.83 0.68 0.00 1.46 5.85 -0.86 0.40 115.31 123.67 3khx h LEU 451 Ca 0.10 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3khx h LEU 451 Cb 0.83 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3khx h LEU 451 CO 0.07 0.58 -1.11 -0.26 -0.34 0.00 0.00 178.44 177.38 3khx h PHE 452 N 0.73 0.00 -0.09 1.25 0.04 -1.27 -3.03 116.94 114.56 3khx h PHE 452 Ca 0.19 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.99 3khx h PHE 452 Cb 0.06 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 3khx h PHE 452 CO -0.01 0.69 -0.11 -0.91 -0.60 0.00 0.00 178.31 177.36 3khx h ASN 453 N 0.00 -0.33 0.06 2.17 4.21 -1.05 -2.15 115.58 118.48 3khx h ASN 453 Ca -0.11 0.06 0.03 0.00 1.21 0.00 0.00 56.30 57.49 3khx h ASN 453 Cb 1.62 0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 38.93 3khx h ASN 453 CO 0.07 -0.15 -0.31 0.00 -1.29 0.00 0.00 177.43 175.75 3khx h ALA 454 N 0.91 -0.50 -0.28 -0.83 0.00 -0.92 -1.20 119.26 116.45 3khx h ALA 454 Ca 0.07 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3khx h ALA 454 Cb 0.24 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3khx h ALA 454 CO -0.18 -0.84 -0.30 1.15 0.00 0.00 0.00 179.25 179.08 3khx h THR 455 N -0.50 0.29 0.00 0.00 2.02 -1.50 0.54 112.91 113.77 3khx h THR 455 Ca 0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3khx h THR 455 Cb 0.56 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3khx h THR 455 CO -0.22 0.00 -0.00 0.77 0.37 0.00 0.00 175.52 176.44 3khx h SER 456 N -0.29 0.00 0.00 4.18 4.64 -1.09 0.18 113.55 121.17 3khx h SER 456 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3khx h SER 456 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3khx h SER 456 CO -0.44 0.00 -0.03 0.40 -0.87 0.00 0.00 176.83 175.89 3khx h ILE 457 N 0.00 1.63 -0.78 0.95 2.04 0.31 -2.38 117.51 119.28 3khx h ILE 457 Ca -0.00 -1.90 0.13 0.00 1.00 0.00 0.00 64.86 64.09 3khx h ILE 457 Cb 0.00 2.91 -0.09 0.00 -0.74 0.00 0.00 36.82 38.91 3khx h ILE 457 CO 0.00 0.50 0.36 1.88 0.00 0.00 0.00 178.15 180.89 3khx h TYR 458 N -0.77 0.63 0.20 1.37 0.05 -1.02 -2.01 116.97 115.42 3khx h TYR 458 Ca -0.00 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.82 3khx h TYR 458 Cb 0.83 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 3khx h TYR 458 CO 0.21 0.15 -0.38 1.25 -1.05 0.00 0.00 178.16 178.33 3khx h LEU 459 N 0.55 -1.10 0.03 3.88 5.85 -0.96 0.25 115.31 123.80 3khx h LEU 459 Ca 0.41 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.25 3khx h LEU 459 Cb 0.57 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3khx h LEU 459 CO -0.35 -0.48 -0.11 -0.08 -0.34 0.00 0.00 178.44 177.07 3khx h GLU 460 N -0.67 -0.16 -0.57 1.25 4.81 -1.27 -0.24 114.58 117.74 3khx h GLU 460 Ca 0.01 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 3khx h GLU 460 Cb 0.66 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.98 3khx h GLU 460 CO -0.18 -0.10 -0.03 0.00 -0.73 0.00 0.00 179.01 177.97 3khx h ALA 461 N -1.37 0.52 -0.43 2.92 0.00 -1.29 -1.22 119.26 118.39 3khx h ALA 461 Ca -0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3khx h ALA 461 Cb 0.16 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3khx h ALA 461 CO -0.06 -0.40 0.20 0.82 0.00 0.00 0.00 179.25 179.81 3khx h ILE 462 N 0.09 1.18 -0.03 0.00 2.04 -0.42 -2.52 117.51 117.85 3khx h ILE 462 Ca 0.29 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3khx h ILE 462 Cb 0.45 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3khx h ILE 462 CO -0.50 0.20 -0.23 0.22 0.00 0.00 0.00 178.15 177.85 3khx h TYR 463 N 0.55 -0.60 0.00 1.37 3.20 0.12 -0.26 116.97 121.34 3khx h TYR 463 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3khx h TYR 463 Cb 0.14 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3khx h TYR 463 CO -0.01 -0.31 -0.11 0.66 -1.64 0.00 0.00 178.16 176.75 3khx h SER 464 N -0.34 0.00 0.62 -2.11 4.64 -1.26 0.91 113.55 116.00 3khx h SER 464 Ca 0.07 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3khx h SER 464 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3khx h SER 464 CO -0.22 0.11 -1.46 -0.11 -0.87 0.00 0.00 176.83 174.28 3khx n LEU 465 N -3.66 0.64 -0.06 5.97 0.00 -0.87 -1.22 117.00 117.81 3khx n LEU 465 Ca -0.02 0.27 -0.06 0.00 0.00 0.00 0.00 56.01 56.20 3khx n LEU 465 Cb 0.23 0.05 -0.08 0.00 0.00 0.00 0.00 43.42 43.62 3khx n LEU 465 CO 0.30 0.04 -0.86 0.00 0.00 0.00 0.00 177.39 176.87 3khx s VAL 467 N -2.26 2.42 0.37 0.00 -7.23 0.29 0.02 120.40 114.02 3khx s VAL 467 Ca -0.08 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 57.72 3khx s VAL 467 Cb 0.03 -2.68 -0.12 0.00 0.56 0.00 0.00 36.38 34.18 3khx s VAL 467 CO 0.41 -0.47 1.04 1.21 -0.31 0.00 0.00 175.10 176.99 3khx n GLU 468 N 4.35 1.45 0.00 4.82 2.13 -1.26 -4.12 120.64 128.01 3khx n GLU 468 Ca -0.01 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.32 3khx n GLU 468 Cb 0.42 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.11 3khx n GLU 468 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11