#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9f s ILE 4 N 0.00 -0.01 0.36 -1.44 1.10 -1.26 -5.16 121.20 114.79 3k9f s ILE 4 Ca 0.00 0.03 0.09 0.00 -0.51 0.00 0.00 60.65 60.26 3k9f s ILE 4 Cb 0.00 -0.84 -0.07 0.00 0.15 0.00 0.00 42.46 41.70 3k9f s ILE 4 CO 0.00 0.01 -0.06 -1.10 -2.11 0.00 0.00 174.94 171.68 3k9f s GLN 5 N 1.44 1.88 -0.05 3.50 -0.21 -1.26 -5.14 119.66 119.82 3k9f s GLN 5 Ca -0.09 -1.95 0.03 0.00 0.02 0.00 0.00 55.36 53.37 3k9f s GLN 5 Cb -0.06 -1.72 0.01 0.00 1.00 0.00 0.00 33.01 32.24 3k9f s GLN 5 CO -0.16 0.10 -0.11 -0.80 -2.12 0.00 0.00 175.29 172.21 3k9f s ASN 6 N -3.64 1.56 0.05 5.90 0.01 -1.26 -5.14 114.94 112.42 3k9f s ASN 6 Ca 0.33 -0.25 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 3k9f s ASN 6 Cb 0.04 -0.58 -0.03 0.00 0.41 0.00 0.00 41.25 41.09 3k9f s ASN 6 CO 0.17 0.05 -0.07 -0.04 -1.51 0.00 0.00 177.10 175.70 3k9f s MET 7 N 0.43 0.59 0.65 -0.60 -1.94 -1.26 -5.15 119.30 112.02 3k9f s MET 7 Ca -0.09 -0.90 -0.10 0.00 -1.71 0.00 0.00 55.69 52.89 3k9f s MET 7 Cb -0.13 -0.24 -0.01 0.00 2.01 0.00 0.00 34.83 36.46 3k9f s MET 7 CO 0.02 0.03 1.03 -1.54 -0.01 0.00 0.00 175.02 174.55 3k9f s SER 8 N -1.96 5.81 0.25 3.03 1.04 -1.26 -4.93 113.70 115.68 3k9f s SER 8 Ca -0.05 1.18 0.08 0.00 0.48 0.00 0.00 55.95 57.64 3k9f s SER 8 Cb -0.06 -2.13 0.28 0.00 0.10 0.00 0.00 66.02 64.21 3k9f s SER 8 CO -0.01 -1.09 1.57 0.25 0.98 0.00 0.00 173.24 174.94 3k9f h LEU 9 N -0.43 0.12 -0.37 2.42 7.12 -2.01 -1.97 115.31 120.20 3k9f h LEU 9 Ca -0.45 -0.07 0.05 0.00 0.13 0.00 0.00 57.88 57.54 3k9f h LEU 9 Cb 1.23 -0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 41.27 3k9f h LEU 9 CO 0.63 0.72 0.07 -0.33 -0.13 0.00 0.00 178.44 179.40 3k9f h GLU 10 N 0.08 0.19 -0.18 1.25 4.39 -2.00 -1.02 114.58 117.29 3k9f h GLU 10 Ca -0.01 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.54 3k9f h GLU 10 Cb 1.14 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3k9f h GLU 10 CO 0.09 0.13 -0.44 -0.44 -1.16 0.00 0.00 179.01 177.19 3k9f h ASP 11 N 0.20 0.69 0.16 1.42 3.32 -1.81 -2.96 116.42 117.44 3k9f h ASP 11 Ca 0.18 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3k9f h ASP 11 Cb 0.20 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3k9f h ASP 11 CO -0.23 1.14 -0.14 0.40 -1.72 0.00 0.00 179.24 178.69 3k9f h ILE 12 N 0.28 0.69 0.18 0.35 2.04 -1.29 -1.47 117.51 118.29 3k9f h ILE 12 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3k9f h ILE 12 Cb 1.05 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3k9f h ILE 12 CO 0.09 0.00 -0.23 0.24 0.00 0.00 0.00 178.15 178.25 3k9f h MET 13 N -0.32 -0.45 0.04 2.37 2.86 -1.30 -0.30 114.93 117.83 3k9f h MET 13 Ca -0.00 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3k9f h MET 13 Cb 0.30 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 3k9f h MET 13 CO -0.03 -0.30 -0.34 0.78 1.06 0.00 0.00 176.91 178.08 3k9f h GLY 14 N -0.47 -0.61 1.03 8.32 0.00 -1.38 0.77 103.07 110.71 3k9f h GLY 14 Ca 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 3k9f h GLY 14 CO -0.09 -0.24 0.36 1.05 0.00 0.00 0.00 176.54 177.62 3k9f h GLU 15 N -0.52 1.11 0.67 4.80 4.11 -1.20 -0.74 114.58 122.82 3k9f h GLU 15 Ca 0.05 -0.17 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 3k9f h GLU 15 Cb 0.59 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3k9f h GLU 15 CO -0.25 0.87 -0.32 0.00 0.07 0.00 0.00 179.01 179.38 3k9f h ARG 16 N 1.09 -0.87 -0.76 1.06 2.47 -0.83 -2.47 114.38 114.07 3k9f h ARG 16 Ca 0.26 0.06 0.08 0.00 -1.26 0.00 0.00 59.98 59.13 3k9f h ARG 16 Cb 0.13 0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.60 3k9f h ARG 16 CO -0.03 -0.55 0.50 0.35 0.56 0.00 0.00 179.97 180.79 3k9f h PHE 17 N -1.17 0.75 -0.30 3.04 3.04 -0.85 -0.30 116.94 121.16 3k9f h PHE 17 Ca -0.09 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 3k9f h PHE 17 Cb 0.72 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 3k9f h PHE 17 CO 0.00 0.37 0.18 0.78 -2.02 0.00 0.00 178.31 177.62 3k9f h GLY 18 N 0.72 0.43 0.99 2.40 0.00 -1.13 0.06 103.07 106.54 3k9f h GLY 18 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3k9f h GLY 18 CO -0.12 0.17 -0.07 3.21 0.00 0.00 0.00 176.54 179.74 3k9f h ARG 19 N 0.38 -0.18 -0.86 4.80 3.08 -0.62 -1.96 114.38 119.03 3k9f h ARG 19 Ca 0.11 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3k9f h ARG 19 Cb 0.01 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 3k9f h ARG 19 CO -0.02 -0.10 0.55 -0.92 -1.07 0.00 0.00 179.97 178.41 3k9f h TYR 20 N -0.20 1.03 -0.17 3.04 3.20 -1.01 -2.67 116.97 120.19 3k9f h TYR 20 Ca -0.02 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3k9f h TYR 20 Cb 0.15 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 3k9f h TYR 20 CO -0.06 0.58 -0.19 0.66 -1.64 0.00 0.00 178.16 177.51 3k9f h SER 21 N 1.06 0.46 -0.36 -2.11 4.64 -0.80 -1.65 113.55 114.78 3k9f h SER 21 Ca 0.35 -0.49 0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3k9f h SER 21 Cb 0.04 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 61.96 3k9f h SER 21 CO -0.13 0.86 0.15 0.50 -0.87 0.00 0.00 176.83 177.34 3k9f h LYS 22 N 0.07 0.31 -0.26 4.77 3.64 -1.25 -0.74 116.57 123.11 3k9f h LYS 22 Ca 0.02 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3k9f h LYS 22 Cb 0.74 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3k9f h LYS 22 CO 0.05 0.21 0.05 -0.92 -2.27 0.00 0.00 179.45 176.56 3k9f h TYR 23 N 0.32 0.45 -0.84 1.91 5.03 -1.45 -0.31 116.97 122.09 3k9f h TYR 23 Ca 0.16 -0.06 0.10 0.00 2.58 0.00 0.00 58.73 61.51 3k9f h TYR 23 Cb 0.10 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.20 3k9f h TYR 23 CO -0.12 0.53 0.54 0.82 -1.32 0.00 0.00 178.16 178.61 3k9f h ILE 24 N 0.24 0.94 0.00 1.81 5.03 -0.91 0.25 117.51 124.86 3k9f h ILE 24 Ca 0.08 -0.26 -0.00 0.00 -0.12 0.00 0.00 64.86 64.55 3k9f h ILE 24 Cb 0.32 0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.21 3k9f h ILE 24 CO 0.00 0.14 -0.00 0.40 -0.68 0.00 0.00 178.15 178.01 3k9f h ILE 25 N 0.77 1.73 0.00 -0.67 2.04 -0.87 -0.39 117.51 120.12 3k9f h ILE 25 Ca 0.39 -2.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 3k9f h ILE 25 Cb 0.47 3.21 -0.01 0.00 -0.74 0.00 0.00 36.82 39.76 3k9f h ILE 25 CO -0.16 0.57 -0.33 1.56 0.00 0.00 0.00 178.15 179.79 3k9f h GLN 26 N -0.94 0.00 -0.35 2.37 4.20 -1.01 -3.33 115.11 116.05 3k9f h GLN 26 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k9f h GLN 26 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3k9f h GLN 26 CO 0.00 0.76 0.00 -0.25 -0.67 0.00 0.00 178.83 178.67 3k9f n ASP 27 N -4.60 3.39 0.03 1.46 9.92 0.79 -4.76 116.55 122.79 3k9f n ASP 27 Ca -0.13 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 3k9f n ASP 27 Cb 0.43 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 3k9f n ASP 27 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3k9f n ARG 28 N 1.45 0.00 0.08 -1.24 0.63 -0.76 -4.73 116.66 112.09 3k9f n ARG 28 Ca 0.18 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.17 3k9f n ARG 28 Cb 0.60 -0.07 -0.03 0.00 0.45 0.00 0.00 32.46 33.41 3k9f n ARG 28 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3k9f h ALA 29 N 0.00 0.61 -3.99 5.13 0.00 -1.31 -3.42 119.26 116.29 3k9f h ALA 29 Ca 0.00 -0.43 -0.69 0.00 0.00 0.00 0.00 54.91 53.79 3k9f h ALA 29 Cb 0.00 0.12 -0.22 0.00 0.00 0.00 0.00 17.79 17.69 3k9f h ALA 29 CO 0.00 0.48 -0.78 -0.51 0.00 0.00 0.00 179.25 178.44 3k9f s LEU 30 N -5.69 2.72 0.27 0.00 1.43 -1.25 -4.28 118.68 111.89 3k9f s LEU 30 Ca -0.01 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 3k9f s LEU 30 Cb 0.09 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.64 3k9f s LEU 30 CO 0.79 0.31 1.10 -2.16 0.23 0.00 0.00 176.35 176.62 3k9f s PRO 31 N -1.01 4.64 0.29 1.29 0.05 -1.26 -4.64 135.00 134.36 3k9f s PRO 31 Ca 0.13 1.79 -0.29 0.00 0.05 0.00 0.00 61.00 62.68 3k9f s PRO 31 Cb -0.11 -3.20 -0.10 0.00 0.05 0.00 0.00 34.50 31.15 3k9f s PRO 31 CO 0.03 0.21 1.27 0.34 0.05 0.00 0.00 177.00 178.90 3k9f s ASP 32 N -0.85 6.90 0.51 6.66 2.15 -0.76 -0.59 116.67 130.69 3k9f s ASP 32 Ca 0.45 2.54 0.30 0.00 0.43 0.00 0.00 52.55 56.26 3k9f s ASP 32 Cb -0.32 -2.64 1.24 0.00 -0.30 0.00 0.00 42.92 40.91 3k9f s ASP 32 CO 0.41 -0.46 1.95 -0.29 -0.17 0.00 0.00 175.17 176.60 3k9f h ILE 33 N 3.22 0.26 0.00 4.11 2.10 -1.82 0.13 117.51 125.50 3k9f h ILE 33 Ca -0.47 -0.72 -0.00 0.00 1.08 0.00 0.00 64.86 64.74 3k9f h ILE 33 Cb 1.22 1.58 -0.00 0.00 -1.09 0.00 0.00 36.82 38.53 3k9f h ILE 33 CO 0.69 0.09 -0.06 0.03 -1.08 0.00 0.00 178.15 177.82 3k9f h ARG 34 N 0.00 0.00 -0.20 2.19 3.08 -1.90 -3.40 114.38 114.15 3k9f h ARG 34 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k9f h ARG 34 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3k9f h ARG 34 CO 0.01 0.15 0.00 -0.40 -1.07 0.00 0.00 179.97 178.66 3k9f n ASP 35 N -4.74 2.92 -0.80 7.04 5.68 -1.25 -4.64 116.55 120.77 3k9f n ASP 35 Ca -0.02 -1.87 -0.10 0.00 -0.50 0.00 0.00 54.79 52.29 3k9f n ASP 35 Cb 0.10 -0.12 -0.04 0.00 -1.14 0.00 0.00 41.12 39.91 3k9f n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k9f n GLY 36 N 1.15 1.14 3.63 6.12 0.00 0.03 -4.31 105.19 112.96 3k9f n GLY 36 Ca 0.14 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3k9f n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k9f s LEU 37 N -2.37 3.30 0.35 0.99 1.43 -1.24 -4.68 118.68 116.45 3k9f s LEU 37 Ca 0.00 -0.11 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 3k9f s LEU 37 Cb 0.00 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 3k9f s LEU 37 CO 0.00 0.27 0.83 -0.54 0.23 0.00 0.00 176.35 177.15 3k9f s LYS 38 N -1.53 4.17 0.32 1.70 1.02 -1.26 -1.83 119.74 122.33 3k9f s LYS 38 Ca 0.18 0.93 0.08 0.00 0.02 0.00 0.00 55.97 57.18 3k9f s LYS 38 Cb -0.11 -2.43 0.90 0.00 -0.52 0.00 0.00 37.83 35.67 3k9f s LYS 38 CO 0.09 0.13 1.66 -1.35 -0.92 0.00 0.00 175.35 174.95 3k9f h PRO 39 N 2.36 0.27 -0.17 -1.68 0.11 -1.85 0.14 132.00 131.18 3k9f h PRO 39 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k9f h PRO 39 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3k9f h PRO 39 CO 0.64 0.18 0.09 0.28 -0.21 0.00 0.00 178.00 178.98 3k9f h VAL 40 N 0.27 1.10 -0.59 3.15 2.07 -1.88 -0.56 116.25 119.81 3k9f h VAL 40 Ca 0.65 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.92 3k9f h VAL 40 Cb 1.39 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 3k9f h VAL 40 CO -0.63 0.09 0.38 1.56 0.02 0.00 0.00 177.57 178.99 3k9f h GLN 41 N 0.17 0.76 -0.70 1.57 4.20 -1.15 -0.09 115.11 119.87 3k9f h GLN 41 Ca 0.06 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3k9f h GLN 41 Cb 0.06 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3k9f h GLN 41 CO -0.01 0.50 0.15 -0.09 -0.67 0.00 0.00 178.83 178.71 3k9f h ARG 42 N 0.78 1.13 -0.42 1.46 2.43 -1.08 -0.56 114.38 118.12 3k9f h ARG 42 Ca 0.22 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3k9f h ARG 42 Cb -0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 3k9f h ARG 42 CO -0.06 1.00 -0.15 0.00 -1.51 0.00 0.00 179.97 179.25 3k9f h ARG 43 N 1.06 0.83 -0.01 0.20 3.08 -0.74 0.60 114.38 119.41 3k9f h ARG 43 Ca 0.22 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3k9f h ARG 43 Cb 0.39 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 3k9f h ARG 43 CO 0.01 0.97 -0.32 0.82 -1.07 0.00 0.00 179.97 180.38 3k9f h ILE 44 N 0.65 0.31 -0.01 2.04 2.04 -0.43 0.66 117.51 122.78 3k9f h ILE 44 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 3k9f h ILE 44 Cb 0.70 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3k9f h ILE 44 CO 0.05 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 178.06 3k9f h LEU 45 N -0.46 -0.21 -0.99 1.44 3.38 -1.00 -0.88 115.31 116.59 3k9f h LEU 45 Ca 0.06 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3k9f h LEU 45 Cb 0.55 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3k9f h LEU 45 CO -0.27 -0.10 0.65 0.22 0.09 0.00 0.00 178.44 179.03 3k9f h TYR 46 N -0.12 1.24 -0.05 1.13 5.03 -0.68 -1.44 116.97 122.08 3k9f h TYR 46 Ca 0.03 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 3k9f h TYR 46 Cb 0.16 -0.42 -0.00 0.00 1.55 0.00 0.00 36.73 38.02 3k9f h TYR 46 CO -0.14 0.78 -0.04 1.03 -1.32 0.00 0.00 178.16 178.46 3k9f h SER 47 N 1.34 0.12 -0.54 -2.11 0.87 -0.61 -1.86 113.55 110.75 3k9f h SER 47 Ca 0.36 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 3k9f h SER 47 Cb -0.15 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3k9f h SER 47 CO -0.08 0.57 0.24 0.24 -0.53 0.00 0.00 176.83 177.27 3k9f h MET 48 N -0.32 0.84 -0.24 2.24 2.86 -0.91 -0.95 114.93 118.44 3k9f h MET 48 Ca 0.01 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 3k9f h MET 48 Cb 0.53 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3k9f h MET 48 CO 0.01 0.68 -0.31 -0.97 1.06 0.00 0.00 176.91 177.38 3k9f h ASN 49 N 0.83 0.68 -1.00 1.22 -1.24 -1.29 0.18 115.58 114.97 3k9f h ASN 49 Ca 0.20 -0.50 0.01 0.00 0.71 0.00 0.00 56.30 56.71 3k9f h ASN 49 Cb 0.15 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 38.95 3k9f h ASN 49 CO -0.02 1.05 0.65 0.50 -1.29 0.00 0.00 177.43 178.31 3k9f h LYS 50 N 0.33 1.32 -0.92 6.67 3.64 -0.98 -2.21 116.57 124.43 3k9f h LYS 50 Ca 0.03 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3k9f h LYS 50 Cb 0.88 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3k9f h LYS 50 CO 0.07 0.89 0.00 -0.25 -2.27 0.00 0.00 179.45 177.89 3k9f n ASP 51 N -4.37 1.27 -3.29 4.20 8.00 -0.39 -4.85 116.55 117.10 3k9f n ASP 51 Ca 0.12 -1.51 -0.22 0.00 0.71 0.00 0.00 54.79 53.89 3k9f n ASP 51 Cb 0.02 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 3k9f n ASP 51 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k9f n SER 52 N 0.29 -0.56 -3.39 -2.24 7.64 -0.83 -4.86 113.62 109.68 3k9f n SER 52 Ca 0.00 -0.70 -0.40 0.00 1.01 0.00 0.00 58.87 58.78 3k9f n SER 52 Cb 0.25 -0.89 0.02 0.00 -1.01 0.00 0.00 64.21 62.58 3k9f n SER 52 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3k9f n ASN 53 N -1.15 7.44 -4.56 6.43 2.85 0.62 -4.92 115.26 121.96 3k9f n ASN 53 Ca -0.01 -3.68 -0.25 0.00 -0.11 0.00 0.00 54.58 50.53 3k9f n ASN 53 Cb 0.29 -1.16 0.13 0.00 1.24 0.00 0.00 39.78 40.28 3k9f n ASN 53 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3k9f s THR 54 N -4.27 2.08 0.35 -0.44 -4.23 -1.26 -1.66 115.64 106.20 3k9f s THR 54 Ca 0.44 -0.50 0.21 0.00 -1.18 0.00 0.00 61.69 60.66 3k9f s THR 54 Cb 0.27 -2.58 0.21 0.00 1.34 0.00 0.00 72.50 71.74 3k9f s THR 54 CO -0.21 0.00 1.94 2.19 -0.54 0.00 0.00 174.62 178.00 3k9f h PHE 55 N -0.75 0.00 -0.50 3.99 -0.00 -1.72 -2.89 116.94 115.07 3k9f h PHE 55 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.60 3k9f h PHE 55 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.21 3k9f h PHE 55 CO -0.41 0.23 0.00 -0.40 -0.00 0.00 0.00 178.31 177.73 3k9f n ASP 56 N -3.79 2.89 -4.27 -0.68 5.75 -1.26 -4.90 116.55 110.29 3k9f n ASP 56 Ca -0.02 -1.97 -0.29 0.00 -0.01 0.00 0.00 54.79 52.51 3k9f n ASP 56 Cb 0.33 -0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 40.02 3k9f n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3k9f s LYS 57 N -1.34 2.06 0.44 0.11 1.02 -1.09 -5.12 119.74 115.81 3k9f s LYS 57 Ca 0.37 -2.29 -0.23 0.00 0.02 0.00 0.00 55.97 53.83 3k9f s LYS 57 Cb 0.19 -0.86 -0.08 0.00 -0.52 0.00 0.00 37.83 36.56 3k9f s LYS 57 CO 0.26 -0.49 1.13 0.45 -0.92 0.00 0.00 175.35 175.79 3k9f s SER 58 N -3.71 6.37 0.56 2.83 0.15 -1.26 -4.88 113.70 113.75 3k9f s SER 58 Ca 0.16 2.23 -0.21 0.00 0.70 0.00 0.00 55.95 58.83 3k9f s SER 58 Cb 0.01 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 3k9f s SER 58 CO 0.11 -0.77 1.28 -1.22 1.20 0.00 0.00 173.24 173.83 3k9f n TYR 59 N -0.32 2.00 -5.16 3.44 4.02 -1.26 -4.92 117.16 114.96 3k9f n TYR 59 Ca 0.06 0.44 -0.31 0.00 -0.01 0.00 0.00 57.90 58.08 3k9f n TYR 59 Cb 0.48 -2.32 -0.15 0.00 -0.02 0.00 0.00 39.34 37.34 3k9f n TYR 59 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3k9f s ARG 60 N -2.86 2.19 -0.63 -0.72 0.52 0.51 -4.79 118.95 113.17 3k9f s ARG 60 Ca 0.73 -0.88 -0.34 0.00 -0.52 0.00 0.00 55.73 54.72 3k9f s ARG 60 Cb -0.42 -2.13 -0.18 0.00 0.52 0.00 0.00 34.95 32.74 3k9f s ARG 60 CO 0.48 0.57 2.10 1.17 0.02 0.00 0.00 175.30 179.65 3k9f n LYS 61 N 2.34 0.00 -0.33 3.54 3.00 -1.26 -0.14 118.16 125.31 3k9f n LYS 61 Ca -0.16 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.29 3k9f n LYS 61 Cb 0.51 -1.32 0.29 0.00 0.00 0.00 0.00 35.03 34.51 3k9f n LYS 61 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 3k9f h SER 62 N 9.07 -0.42 -1.00 3.14 0.02 -1.53 0.36 113.55 123.19 3k9f h SER 62 Ca -0.07 0.27 0.19 0.00 -0.84 0.00 0.00 61.79 61.34 3k9f h SER 62 Cb 1.21 0.46 -0.10 0.00 0.14 0.00 0.00 62.40 64.11 3k9f h SER 62 CO 1.08 -0.33 0.61 0.00 -1.14 0.00 0.00 176.83 177.05 3k9f h ALA 63 N 1.95 1.69 -0.19 3.77 0.00 -1.81 -0.47 119.26 124.21 3k9f h ALA 63 Ca 0.59 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 3k9f h ALA 63 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3k9f h ALA 63 CO -0.88 -0.06 0.05 -0.22 0.00 0.00 0.00 179.25 178.13 3k9f h LYS 64 N 0.76 0.30 -0.98 0.00 3.64 -1.27 -0.35 116.57 118.68 3k9f h LYS 64 Ca 0.57 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.92 3k9f h LYS 64 Cb 0.90 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 3k9f h LYS 64 CO -0.37 0.43 0.64 0.77 -2.27 0.00 0.00 179.45 178.65 3k9f h SER 65 N 0.11 1.07 -0.00 4.20 0.02 -1.26 -1.22 113.55 116.47 3k9f h SER 65 Ca 0.06 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3k9f h SER 65 Cb 0.27 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3k9f h SER 65 CO 0.00 0.73 -0.01 0.58 -1.14 0.00 0.00 176.83 176.99 3k9f h VAL 66 N 1.24 1.50 -0.92 2.27 2.07 -0.97 -1.08 116.25 120.36 3k9f h VAL 66 Ca 0.39 -1.48 0.20 0.00 0.82 0.00 0.00 66.70 66.62 3k9f h VAL 66 Cb -0.00 2.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 3k9f h VAL 66 CO -0.12 0.39 0.60 1.23 0.02 0.00 0.00 177.57 179.68 3k9f h GLY 67 N -0.61 1.03 0.79 2.17 0.00 -1.00 0.11 103.07 105.56 3k9f h GLY 67 Ca -0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 3k9f h GLY 67 CO 0.00 -0.01 -0.51 3.43 0.00 0.00 0.00 176.54 179.46 3k9f h ASN 68 N 0.48 0.53 -0.75 0.19 -0.26 -0.94 -1.53 115.58 113.30 3k9f h ASN 68 Ca 0.49 -0.70 0.06 0.00 -0.56 0.00 0.00 56.30 55.59 3k9f h ASN 68 Cb 1.11 -0.16 -0.06 0.00 -1.06 0.00 0.00 38.32 38.15 3k9f h ASN 68 CO -0.21 1.15 0.44 0.40 -1.06 0.00 0.00 177.43 178.15 3k9f h ILE 69 N -0.05 0.99 -0.45 2.81 2.04 -0.35 -2.28 117.51 120.21 3k9f h ILE 69 Ca -0.05 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.42 3k9f h ILE 69 Cb 1.18 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3k9f h ILE 69 CO 0.10 0.15 -0.17 -0.03 0.00 0.00 0.00 178.15 178.19 3k9f h MET 70 N 0.81 0.92 0.00 2.37 4.05 -1.00 0.96 114.93 123.03 3k9f h MET 70 Ca 0.34 -0.38 -0.11 0.00 -0.28 0.00 0.00 59.70 59.27 3k9f h MET 70 Cb 0.20 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 3k9f h MET 70 CO -0.18 1.04 -0.65 0.78 0.23 0.00 0.00 176.91 178.12 3k9f h GLY 71 N 0.76 0.00 0.00 1.39 0.00 -1.09 -3.37 103.07 100.77 3k9f h GLY 71 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.09 3k9f h GLY 71 CO 0.06 0.00 -2.31 0.70 0.00 0.00 0.00 176.54 174.98 3k9f n ASN 72 N -3.14 1.88 0.00 0.19 3.02 -0.87 -4.95 115.26 111.39 3k9f n ASN 72 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3k9f n ASN 72 Cb 0.74 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 3k9f n ASN 72 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3k9f n PHE 73 N -3.09 0.00 -4.02 3.10 3.01 -0.16 -4.70 117.46 111.59 3k9f n PHE 73 Ca -0.39 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.74 3k9f n PHE 73 Cb 0.97 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 40.29 3k9f n PHE 73 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3k9f s HIS 74 N -1.85 3.43 -0.02 1.38 2.46 0.15 -4.79 115.29 116.05 3k9f s HIS 74 Ca 0.00 -2.47 0.00 0.00 0.47 0.00 0.00 55.06 53.06 3k9f s HIS 74 Cb 0.00 -2.30 0.03 0.00 -0.13 0.00 0.00 32.58 30.19 3k9f s HIS 74 CO 0.00 -0.89 1.20 -0.35 -2.47 0.00 0.00 174.74 172.23 3k9f n PRO 75 N 4.41 1.07 -3.23 2.88 -0.05 -1.26 -4.32 135.00 134.50 3k9f n PRO 75 Ca -0.08 -0.15 -0.15 0.00 -0.05 0.00 0.00 63.50 63.07 3k9f n PRO 75 Cb 0.42 -1.06 -0.03 0.00 -0.05 0.00 0.00 33.50 32.78 3k9f n PRO 75 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3k9f n HIS 76 N 0.57 0.44 -2.35 0.54 8.25 -1.26 -5.12 115.22 116.29 3k9f n HIS 76 Ca 0.03 -1.20 -0.36 0.00 -0.26 0.00 0.00 57.72 55.93 3k9f n HIS 76 Cb 0.55 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.52 3k9f n HIS 76 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3k9f s GLY 77 N -2.29 2.70 0.31 -1.41 0.00 -1.26 -4.93 107.32 100.45 3k9f s GLY 77 Ca 0.02 0.82 0.04 0.00 0.00 0.00 0.00 44.72 45.61 3k9f s GLY 77 CO 0.02 1.23 1.86 1.29 0.00 0.00 0.00 173.10 177.50 3k9f h ASP 78 N 1.89 0.81 -0.45 1.64 -0.00 -1.96 -1.97 116.42 116.38 3k9f h ASP 78 Ca -0.49 0.04 0.03 0.00 -0.00 0.00 0.00 57.03 56.61 3k9f h ASP 78 Cb 1.24 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 40.42 3k9f h ASP 78 CO 0.60 0.43 0.25 0.77 -0.00 0.00 0.00 179.24 181.29 3k9f h SER 79 N 0.87 0.38 0.07 4.15 4.64 -1.98 0.59 113.55 122.27 3k9f h SER 79 Ca 0.47 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3k9f h SER 79 Cb 0.55 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3k9f h SER 79 CO -0.23 0.27 -0.05 0.28 -0.87 0.00 0.00 176.83 176.23 3k9f h SER 80 N 0.49 -0.12 -0.00 4.97 0.02 -1.75 0.54 113.55 117.70 3k9f h SER 80 Ca 0.19 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3k9f h SER 80 Cb 0.05 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3k9f h SER 80 CO -0.11 -0.08 -0.09 0.40 -1.14 0.00 0.00 176.83 175.81 3k9f h ILE 81 N -0.12 0.76 -0.60 3.27 2.04 -1.29 -1.73 117.51 119.83 3k9f h ILE 81 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 3k9f h ILE 81 Cb 0.11 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3k9f h ILE 81 CO -0.00 0.00 0.10 0.22 0.00 0.00 0.00 178.15 178.47 3k9f h TYR 82 N -0.16 1.06 -0.52 1.37 3.20 -0.74 -0.13 116.97 121.05 3k9f h TYR 82 Ca 0.04 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 61.68 3k9f h TYR 82 Cb 0.21 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 3k9f h TYR 82 CO -0.16 0.91 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.82 3k9f h ASP 83 N 0.90 0.91 -0.88 -2.11 3.32 -0.83 0.87 116.42 118.60 3k9f h ASP 83 Ca 0.18 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.93 3k9f h ASP 83 Cb 0.42 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3k9f h ASP 83 CO 0.01 1.00 0.58 0.00 -1.72 0.00 0.00 179.24 179.11 3k9f h ALA 84 N 0.94 1.38 0.14 3.45 0.00 -1.01 -1.06 119.26 123.10 3k9f h ALA 84 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3k9f h ALA 84 Cb 0.54 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k9f h ALA 84 CO 0.03 0.57 -0.07 1.98 0.00 0.00 0.00 179.25 181.76 3k9f h MET 85 N 1.18 -0.18 -0.72 0.00 1.85 -0.45 -2.62 114.93 113.99 3k9f h MET 85 Ca 0.32 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.56 3k9f h MET 85 Cb -0.12 0.04 -0.09 0.00 0.43 0.00 0.00 31.60 31.85 3k9f h MET 85 CO -0.07 -0.01 0.26 0.28 -0.40 0.00 0.00 176.91 176.97 3k9f h VAL 86 N -0.31 0.65 -0.57 -5.77 2.07 -0.48 -2.11 116.25 109.73 3k9f h VAL 86 Ca -0.02 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3k9f h VAL 86 Cb 0.25 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3k9f h VAL 86 CO 0.03 0.07 0.24 -0.09 0.02 0.00 0.00 177.57 177.85 3k9f h ARG 87 N 0.40 0.84 0.00 1.57 2.43 -1.01 0.09 114.38 118.69 3k9f h ARG 87 Ca 0.39 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3k9f h ARG 87 Cb 0.58 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3k9f h ARG 87 CO -0.40 0.71 0.00 -1.33 -1.51 0.00 0.00 179.97 177.43 3k9f n MET 88 N -4.51 0.11 -0.44 0.20 2.81 -0.81 -1.73 117.12 112.74 3k9f n MET 88 Ca 0.03 0.60 0.10 0.00 -1.81 0.00 0.00 57.70 56.62 3k9f n MET 88 Cb 0.15 -1.87 0.31 0.00 -0.71 0.00 0.00 33.22 31.10 3k9f n MET 88 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3k9f n SER 89 N -2.11 3.93 -4.16 7.83 3.41 0.01 -1.04 113.62 121.49 3k9f n SER 89 Ca -0.01 -2.18 -0.38 0.00 -0.26 0.00 0.00 58.87 56.04 3k9f n SER 89 Cb 0.03 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 3k9f n SER 89 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3k9f s GLN 90 N -1.43 2.27 0.59 4.33 -0.21 -0.71 -4.75 119.66 119.76 3k9f s GLN 90 Ca 0.45 -1.88 0.29 0.00 0.02 0.00 0.00 55.36 54.25 3k9f s GLN 90 Cb 0.26 -3.75 1.37 0.00 1.00 0.00 0.00 33.01 31.89 3k9f s GLN 90 CO 0.27 -1.14 1.76 -2.95 -2.12 0.00 0.00 175.29 171.11 3k9f h ASN 91 N 8.12 0.00 1.71 5.90 -0.00 -1.89 -0.27 115.58 129.15 3k9f h ASN 91 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.11 3k9f h ASN 91 Cb 1.05 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.36 3k9f h ASN 91 CO 0.77 0.00 -0.18 4.11 -0.00 0.00 0.00 177.43 182.13 3k9f h TRP 92 N 0.00 0.00 0.04 4.14 0.09 -1.93 -3.38 115.95 114.91 3k9f h TRP 92 Ca 0.31 0.00 -0.36 0.00 0.09 0.00 0.00 58.89 58.93 3k9f h TRP 92 Cb 1.68 0.00 -0.05 0.00 0.08 0.00 0.00 29.16 30.87 3k9f h TRP 92 CO 0.00 0.18 -2.07 1.63 0.09 0.00 0.00 178.44 178.27 3k9f n LYS 93 N -3.16 0.65 -3.94 0.12 5.02 -0.26 -4.50 118.16 112.09 3k9f n LYS 93 Ca 0.03 0.30 -0.36 0.00 -2.02 0.00 0.00 58.31 56.26 3k9f n LYS 93 Cb 0.58 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 3k9f n LYS 93 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3k9f s ASN 94 N -6.96 6.14 0.19 4.39 -0.87 -0.32 -4.94 114.94 112.57 3k9f s ASN 94 Ca -0.31 0.36 -0.09 0.00 -1.57 0.00 0.00 52.86 51.25 3k9f s ASN 94 Cb 0.09 -1.98 0.10 0.00 -0.02 0.00 0.00 41.25 39.44 3k9f s ASN 94 CO 0.63 0.35 1.70 -0.09 -2.57 0.00 0.00 177.10 177.12 3k9f h ARG 95 N 5.38 1.09 -4.55 -0.60 2.43 -1.82 -3.38 114.38 112.93 3k9f h ARG 95 Ca -0.51 -0.27 -0.65 0.00 -0.81 0.00 0.00 59.98 57.74 3k9f h ARG 95 Cb 1.21 -0.14 -0.39 0.00 -0.42 0.00 0.00 29.97 30.23 3k9f h ARG 95 CO 0.61 0.98 -0.75 -1.21 -1.51 0.00 0.00 179.97 178.09 3k9f s GLU 96 N -5.28 1.54 0.45 0.20 2.02 -1.26 -5.00 118.70 111.37 3k9f s GLU 96 Ca -0.12 -1.59 -0.24 0.00 0.02 0.00 0.00 54.97 53.04 3k9f s GLU 96 Cb 0.14 -2.94 -0.09 0.00 0.10 0.00 0.00 34.13 31.34 3k9f s GLU 96 CO 0.84 -0.84 1.17 1.51 0.02 0.00 0.00 175.26 177.96 3k9f n ILE 97 N 4.40 2.76 -0.01 -1.63 3.06 -1.26 -4.92 119.36 121.76 3k9f n ILE 97 Ca -0.02 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.73 3k9f n ILE 97 Cb 0.42 -1.40 0.00 0.00 0.54 0.00 0.00 39.64 39.20 3k9f n ILE 97 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3k9f n LEU 98 N 0.09 0.26 -3.97 9.51 4.77 -0.21 -4.69 117.00 122.77 3k9f n LEU 98 Ca 0.09 -0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 55.24 3k9f n LEU 98 Cb 0.41 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 3k9f n LEU 98 CO 0.57 0.07 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.57 3k9f s VAL 99 N -0.70 0.77 -0.16 4.08 1.01 -0.91 -2.09 120.40 122.40 3k9f s VAL 99 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 3k9f s VAL 99 Cb 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3k9f s VAL 99 CO 0.00 0.26 0.06 -1.83 0.00 0.00 0.00 175.10 173.59 3k9f s GLU 100 N 0.55 3.81 0.13 2.72 -1.05 0.16 -3.60 118.70 121.41 3k9f s GLU 100 Ca -0.09 -0.34 0.10 0.00 -0.15 0.00 0.00 54.97 54.49 3k9f s GLU 100 Cb -0.12 -3.15 -0.04 0.00 -0.44 0.00 0.00 34.13 30.38 3k9f s GLU 100 CO 0.01 0.37 -0.24 1.41 0.95 0.00 0.00 175.26 177.75 3k9f s MET 101 N 0.10 1.30 -0.19 -4.83 1.75 -1.26 -1.07 119.30 115.10 3k9f s MET 101 Ca 0.05 -1.29 0.00 0.00 -1.25 0.00 0.00 55.69 53.20 3k9f s MET 101 Cb -0.12 -1.69 0.02 0.00 2.84 0.00 0.00 34.83 35.88 3k9f s MET 101 CO 0.01 0.39 -0.17 -1.01 -0.65 0.00 0.00 175.02 173.59 3k9f s HIS 102 N -1.17 2.83 -2.63 4.11 3.76 0.31 -4.98 115.29 117.52 3k9f s HIS 102 Ca 0.12 -1.60 0.00 0.00 -0.15 0.00 0.00 55.06 53.43 3k9f s HIS 102 Cb -0.10 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.65 3k9f s HIS 102 CO 0.06 -0.78 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 3k9f n GLY 103 N 4.63 0.78 3.61 -2.22 0.00 -1.26 -1.98 105.19 108.75 3k9f n GLY 103 Ca -0.20 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 3k9f n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k9f s ASN 104 N -2.15 6.31 -0.36 1.61 2.47 -1.26 -4.87 114.94 116.69 3k9f s ASN 104 Ca 0.00 1.07 0.06 0.00 0.42 0.00 0.00 52.86 54.41 3k9f s ASN 104 Cb 0.00 -2.54 0.45 0.00 -1.45 0.00 0.00 41.25 37.71 3k9f s ASN 104 CO 0.00 -1.41 1.22 -0.46 -3.72 0.00 0.00 177.10 172.73 3k9f n ASN 105 N 8.86 5.04 0.00 -4.21 6.94 -1.26 -0.37 115.26 130.27 3k9f n ASN 105 Ca 0.18 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.99 3k9f n ASN 105 Cb 0.47 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 3k9f n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k9f n GLY 106 N -0.66 -2.14 3.87 4.83 0.00 -1.26 -4.81 105.19 105.03 3k9f n GLY 106 Ca 0.44 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.95 3k9f n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k9f s SER 107 N -3.65 -0.00 0.40 1.61 1.04 -1.26 -4.92 113.70 106.92 3k9f s SER 107 Ca 0.00 -0.70 0.12 0.00 0.48 0.00 0.00 55.95 55.85 3k9f s SER 107 Cb 0.00 0.53 0.83 0.00 0.10 0.00 0.00 66.02 67.48 3k9f s SER 107 CO 0.00 -1.04 1.91 0.24 0.98 0.00 0.00 173.24 175.33 3k9f h MET 108 N 2.00 0.09 -0.01 4.02 2.86 -1.96 -2.05 114.93 119.88 3k9f h MET 108 Ca -0.28 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3k9f h MET 108 Cb 1.22 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3k9f h MET 108 CO 0.36 0.31 0.00 -0.25 1.06 0.00 0.00 176.91 178.39 3k9f n ASP 109 N -4.24 0.01 -0.88 1.22 8.00 -1.26 -2.93 116.55 116.47 3k9f n ASP 109 Ca -0.02 -1.45 -0.11 0.00 0.71 0.00 0.00 54.79 53.92 3k9f n ASP 109 Cb 0.30 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 3k9f n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k9f n GLY 110 N 0.22 1.20 3.76 0.44 0.00 -0.77 -4.51 105.19 105.53 3k9f n GLY 110 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3k9f n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k9f s ASP 111 N -2.87 5.23 0.08 1.61 3.84 -1.26 -4.90 116.67 118.40 3k9f s ASP 111 Ca 0.00 2.20 -0.31 0.00 -0.00 0.00 0.00 52.55 54.44 3k9f s ASP 111 Cb 0.00 -2.58 -0.08 0.00 -1.38 0.00 0.00 42.92 38.88 3k9f s ASP 111 CO 0.00 -1.56 1.59 -2.84 -0.00 0.00 0.00 175.17 172.36 3k9f s PRO 112 N -3.61 4.22 0.63 2.11 0.02 -1.26 -4.13 135.00 132.97 3k9f s PRO 112 Ca 0.72 2.27 -0.18 0.00 0.02 0.00 0.00 61.00 63.83 3k9f s PRO 112 Cb -0.25 -3.50 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 3k9f s PRO 112 CO 0.35 -0.67 1.21 -2.14 -0.33 0.00 0.00 177.00 175.42 3k9f s PRO 113 N 2.25 2.77 0.43 5.54 0.02 -1.26 -4.49 135.00 140.26 3k9f s PRO 113 Ca 0.71 1.81 -0.25 0.00 0.02 0.00 0.00 61.00 63.29 3k9f s PRO 113 Cb -0.39 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.14 3k9f s PRO 113 CO 0.31 -1.36 1.31 0.00 -0.33 0.00 0.00 177.00 176.93 3k9f s ALA 114 N -1.69 3.20 0.65 -1.55 0.00 0.50 -4.89 121.76 117.99 3k9f s ALA 114 Ca 0.77 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.80 3k9f s ALA 114 Cb -0.30 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 3k9f s ALA 114 CO 0.36 -0.90 0.87 0.00 0.00 0.00 0.00 175.76 176.09 3k9f n ALA 115 N -0.05 -0.28 0.31 0.00 0.00 -1.26 -4.75 120.51 114.47 3k9f n ALA 115 Ca 0.05 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.55 3k9f n ALA 115 Cb 0.44 -2.05 0.79 0.00 0.00 0.00 0.00 19.45 18.63 3k9f n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k9f h MET 116 N 0.12 0.00 0.00 0.00 -0.00 -1.94 -0.67 114.93 112.44 3k9f h MET 116 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 3k9f h MET 116 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.96 3k9f h MET 116 CO 0.48 0.00 0.00 2.89 -0.00 0.00 0.00 176.91 180.28 3k9f n ARG 117 N -2.77 0.88 0.00 -0.10 1.85 -1.26 -2.90 116.66 112.35 3k9f n ARG 117 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3k9f n ARG 117 Cb 0.33 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 3k9f n ARG 117 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3k9f n TYR 118 N -0.81 0.00 -2.09 2.89 4.01 -0.26 -5.04 117.16 115.86 3k9f n TYR 118 Ca 0.13 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.59 3k9f n TYR 118 Cb 0.06 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.21 3k9f n TYR 118 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3k9f s THR 119 N -1.96 2.10 0.00 -0.72 -4.23 -1.21 -4.91 115.64 104.71 3k9f s THR 119 Ca 0.00 -0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 3k9f s THR 119 Cb 0.00 -2.95 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 3k9f s THR 119 CO 0.00 0.00 0.12 -1.61 -0.54 0.00 0.00 174.62 172.59 3k9f s GLU 120 N -5.52 0.45 0.12 3.99 2.02 -0.84 -2.00 118.70 116.92 3k9f s GLU 120 Ca 0.66 -0.40 -0.05 0.00 0.02 0.00 0.00 54.97 55.19 3k9f s GLU 120 Cb -0.08 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 3k9f s GLU 120 CO 0.48 -0.10 0.15 0.00 0.02 0.00 0.00 175.26 175.81 3k9f s ALA 121 N -1.33 0.30 0.30 5.21 0.00 0.80 -0.53 121.76 126.51 3k9f s ALA 121 Ca -0.14 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.58 3k9f s ALA 121 Cb -0.08 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.78 3k9f s ALA 121 CO 0.01 -0.53 0.68 -0.98 0.00 0.00 0.00 175.76 174.94 3k9f s ARG 122 N -3.97 1.84 0.50 0.00 1.70 -0.23 -0.37 118.95 118.42 3k9f s ARG 122 Ca 0.16 -1.16 -0.18 0.00 -0.47 0.00 0.00 55.73 54.08 3k9f s ARG 122 Cb 0.06 0.58 -0.08 0.00 -0.57 0.00 0.00 34.95 34.93 3k9f s ARG 122 CO -0.03 -0.83 0.99 -0.51 -1.08 0.00 0.00 175.30 173.84 3k9f s LEU 123 N -2.98 3.74 0.85 -1.89 1.43 -0.67 -0.66 118.68 118.49 3k9f s LEU 123 Ca 0.15 1.70 -0.10 0.00 -1.03 0.00 0.00 54.13 54.85 3k9f s LEU 123 Cb -0.05 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.79 3k9f s LEU 123 CO 0.09 -0.64 1.18 -0.94 0.23 0.00 0.00 176.35 176.27 3k9f s SER 124 N -2.58 3.81 0.00 2.29 1.04 -0.89 -2.42 113.70 114.95 3k9f s SER 124 Ca 0.62 0.18 -0.24 0.00 0.48 0.00 0.00 55.95 57.00 3k9f s SER 124 Cb -0.12 -0.44 -0.18 0.00 0.10 0.00 0.00 66.02 65.38 3k9f s SER 124 CO 0.25 -2.27 1.30 -0.08 0.98 0.00 0.00 173.24 173.42 3k9f h GLU 125 N -1.15 0.14 0.00 4.02 4.81 -1.90 -2.98 114.58 117.51 3k9f h GLU 125 Ca -0.43 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3k9f h GLU 125 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 3k9f h GLU 125 CO 0.44 0.58 -0.13 0.97 -0.73 0.00 0.00 179.01 180.15 3k9f h ILE 126 N -0.30 1.07 -0.54 2.32 2.10 -1.94 -1.46 117.51 118.76 3k9f h ILE 126 Ca 0.01 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.52 3k9f h ILE 126 Cb 0.55 1.23 -0.03 0.00 -1.09 0.00 0.00 36.82 37.49 3k9f h ILE 126 CO 0.01 0.12 0.35 0.00 -1.08 0.00 0.00 178.15 177.56 3k9f h ALA 127 N 1.87 1.61 -0.32 0.18 0.00 -1.80 -1.11 119.26 119.69 3k9f h ALA 127 Ca -0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3k9f h ALA 127 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3k9f h ALA 127 CO 0.02 0.36 0.24 0.78 0.00 0.00 0.00 179.25 180.64 3k9f h GLY 128 N 0.74 0.00 1.51 0.00 0.00 -1.21 -1.76 103.07 102.35 3k9f h GLY 128 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 3k9f h GLY 128 CO -0.04 0.00 -0.30 -0.97 0.00 0.00 0.00 176.54 175.23 3k9f h TYR 129 N 0.00 0.64 -0.17 5.60 0.05 -1.24 -2.09 116.97 119.76 3k9f h TYR 129 Ca 0.15 -0.16 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3k9f h TYR 129 Cb 0.62 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3k9f h TYR 129 CO 0.00 0.80 0.08 -0.07 -1.05 0.00 0.00 178.16 177.92 3k9f h LEU 130 N 0.48 0.20 -0.66 3.88 3.38 -1.31 -2.47 115.31 118.81 3k9f h LEU 130 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3k9f h LEU 130 Cb 0.76 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3k9f h LEU 130 CO 0.06 0.18 -0.15 0.18 0.09 0.00 0.00 178.44 178.80 3k9f n LEU 131 N -4.48 1.18 -4.68 1.67 4.77 -0.94 -0.71 117.00 113.81 3k9f n LEU 131 Ca -0.00 -0.34 -0.44 0.00 -0.03 0.00 0.00 56.01 55.20 3k9f n LEU 131 Cb 0.10 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3k9f n LEU 131 CO 0.35 0.21 1.46 1.67 -1.33 0.00 0.00 177.39 179.75 3k9f n GLN 132 N -0.34 2.61 -0.86 3.23 7.27 -0.83 -2.12 117.38 126.33 3k9f n GLN 132 Ca 0.15 0.95 0.00 0.00 0.07 0.00 0.00 57.00 58.17 3k9f n GLN 132 Cb 0.35 -2.83 0.00 0.00 2.41 0.00 0.00 30.24 30.17 3k9f n GLN 132 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3k9f n ASP 133 N 5.77 -2.58 0.26 1.69 8.00 -1.26 -4.72 116.55 123.70 3k9f n ASP 133 Ca 0.19 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.80 3k9f n ASP 133 Cb 0.35 -0.43 0.68 0.00 -0.02 0.00 0.00 41.12 41.70 3k9f n ASP 133 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3k9f h ILE 134 N 0.00 0.69 -0.23 0.53 2.10 -1.81 0.59 117.51 119.38 3k9f h ILE 134 Ca 0.00 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.40 3k9f h ILE 134 Cb 0.00 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 3k9f h ILE 134 CO 0.00 0.13 0.00 -1.84 -1.08 0.00 0.00 178.15 175.36 3k9f n GLU 135 N -3.79 1.66 -1.39 2.19 0.00 -1.26 -3.76 120.64 114.29 3k9f n GLU 135 Ca -0.02 -1.02 -0.25 0.00 0.00 0.00 0.00 57.16 55.87 3k9f n GLU 135 Cb 0.24 -1.30 0.10 0.00 0.00 0.00 0.00 31.44 30.48 3k9f n GLU 135 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3k9f n LYS 136 N 0.28 2.69 -3.69 3.44 5.02 0.20 -4.97 118.16 121.13 3k9f n LYS 136 Ca 0.12 -3.45 -0.31 0.00 -2.02 0.00 0.00 58.31 52.66 3k9f n LYS 136 Cb 0.27 -2.19 0.04 0.00 -0.02 0.00 0.00 35.03 33.13 3k9f n LYS 136 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3k9f n LYS 137 N -0.94 -1.15 -0.08 1.97 5.02 -1.25 -4.43 118.16 117.31 3k9f n LYS 137 Ca 0.53 0.51 0.03 0.00 -2.02 0.00 0.00 58.31 57.36 3k9f n LYS 137 Cb 0.95 -3.92 0.07 0.00 -0.02 0.00 0.00 35.03 32.12 3k9f n LYS 137 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3k9f n THR 138 N -3.99 0.72 -3.64 -0.18 -2.24 -1.26 -4.55 114.28 99.14 3k9f n THR 138 Ca -0.11 -0.86 -0.07 0.00 -2.27 0.00 0.00 64.05 60.74 3k9f n THR 138 Cb 0.59 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3k9f n THR 138 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3k9f s VAL 139 N -0.88 0.00 0.08 2.28 0.11 -1.26 -4.35 120.40 116.38 3k9f s VAL 139 Ca 0.12 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 3k9f s VAL 139 Cb 0.07 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.84 3k9f s VAL 139 CO 0.09 0.00 1.58 -2.84 -3.33 0.00 0.00 175.10 170.60 3k9f s PRO 140 N 0.18 4.22 0.04 1.54 0.02 -1.26 -4.94 135.00 134.80 3k9f s PRO 140 Ca 0.04 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.33 3k9f s PRO 140 Cb -0.05 -3.49 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 3k9f s PRO 140 CO -0.09 -0.66 0.10 -0.06 -0.33 0.00 0.00 177.00 175.95 3k9f s PHE 141 N 2.21 3.28 0.32 6.54 0.40 -1.26 -1.11 117.98 128.36 3k9f s PHE 141 Ca 0.71 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 57.23 3k9f s PHE 141 Cb -0.39 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 3k9f s PHE 141 CO 0.31 0.55 0.08 0.00 0.70 0.00 0.00 175.22 176.86 3k9f s ALA 142 N -1.32 2.25 0.31 5.36 0.00 0.31 -4.91 121.76 123.76 3k9f s ALA 142 Ca 0.27 -1.89 -0.19 0.00 0.00 0.00 0.00 51.96 50.15 3k9f s ALA 142 Cb -0.12 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 3k9f s ALA 142 CO 0.19 -0.36 0.79 -1.58 0.00 0.00 0.00 175.76 174.80 3k9f s TRP 143 N -3.42 3.49 1.15 0.00 0.52 -1.26 -0.15 118.94 119.27 3k9f s TRP 143 Ca 0.35 1.40 -0.19 0.00 0.02 0.00 0.00 56.10 57.69 3k9f s TRP 143 Cb 0.08 -2.66 0.27 0.00 -1.15 0.00 0.00 33.47 30.01 3k9f s TRP 143 CO 0.15 0.16 1.18 0.54 0.02 0.00 0.00 176.95 179.00 3k9f s ASN 144 N -1.97 1.41 0.30 2.95 6.03 -0.02 -4.84 114.94 118.80 3k9f s ASN 144 Ca 0.51 0.47 -0.00 0.00 -1.03 0.00 0.00 52.86 52.81 3k9f s ASN 144 Cb -0.13 -0.61 0.45 0.00 -3.03 0.00 0.00 41.25 37.93 3k9f s ASN 144 CO 0.19 -3.81 1.86 2.19 -2.03 0.00 0.00 177.10 175.50 3k9f h PHE 145 N -2.37 0.81 0.00 1.54 -5.15 -1.86 -1.88 116.94 108.03 3k9f h PHE 145 Ca -0.44 -0.06 -0.01 0.00 -0.20 0.00 0.00 57.97 57.26 3k9f h PHE 145 Cb 1.27 -0.24 -0.00 0.00 0.22 0.00 0.00 35.95 37.20 3k9f h PHE 145 CO -2.07 0.67 -0.04 -0.44 -2.00 0.00 0.00 178.31 174.43 3k9f h ASP 146 N 0.77 0.00 -6.04 -0.68 3.32 -1.93 -3.46 116.42 108.40 3k9f h ASP 146 Ca 0.18 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.81 3k9f h ASP 146 Cb 0.25 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.86 3k9f h ASP 146 CO -0.01 0.04 -0.81 0.47 -1.72 0.00 0.00 179.24 177.22 3k9f n ASP 147 N -3.87 -1.99 0.00 6.45 9.92 -0.71 -4.92 116.55 121.43 3k9f n ASP 147 Ca -0.03 -0.77 0.00 0.00 -0.53 0.00 0.00 54.79 53.46 3k9f n ASP 147 Cb 0.13 -4.24 0.00 0.00 -0.64 0.00 0.00 41.12 36.38 3k9f n ASP 147 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3k9f n THR 148 N -4.34 0.00 -3.48 -3.53 -2.24 -1.26 -5.00 114.28 94.43 3k9f n THR 148 Ca -0.24 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 3k9f n THR 148 Cb 0.65 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 3k9f n THR 148 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3k9f s GLU 149 N -0.75 1.02 0.09 -0.78 2.12 -1.26 -5.05 118.70 114.09 3k9f s GLU 149 Ca 0.00 -0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.13 3k9f s GLU 149 Cb 0.00 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.82 3k9f s GLU 149 CO 0.00 -0.42 0.03 0.15 -0.54 0.00 0.00 175.26 174.48 3k9f s LYS 150 N -2.89 2.68 0.04 4.30 1.02 -1.26 -0.84 119.74 122.79 3k9f s LYS 150 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 55.97 55.24 3k9f s LYS 150 Cb -0.01 -2.61 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3k9f s LYS 150 CO -0.07 0.55 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.82 3k9f s GLU 151 N -2.36 0.61 0.33 1.68 2.12 0.79 -4.91 118.70 116.97 3k9f s GLU 151 Ca 0.27 -0.73 -0.26 0.00 0.36 0.00 0.00 54.97 54.61 3k9f s GLU 151 Cb -0.12 -0.46 -0.10 0.00 0.26 0.00 0.00 34.13 33.71 3k9f s GLU 151 CO 0.20 0.10 0.98 -2.14 -0.54 0.00 0.00 175.26 173.86 3k9f s PRO 152 N -1.41 4.51 0.26 4.30 0.02 -1.26 -0.53 135.00 140.89 3k9f s PRO 152 Ca -0.06 1.42 0.22 0.00 0.02 0.00 0.00 61.00 62.60 3k9f s PRO 152 Cb -0.09 -2.80 0.09 0.00 0.02 0.00 0.00 34.50 31.72 3k9f s PRO 152 CO 0.01 0.19 1.20 1.79 -0.33 0.00 0.00 177.00 179.86 3k9f h THR 153 N 2.58 0.06 -3.27 0.99 1.35 -1.47 -3.46 112.91 109.70 3k9f h THR 153 Ca -0.47 -1.11 -0.09 0.00 -0.55 0.00 0.00 66.41 64.19 3k9f h THR 153 Cb 1.20 1.71 -0.17 0.00 -1.73 0.00 0.00 68.15 69.16 3k9f h THR 153 CO 0.65 0.04 -0.22 0.54 -0.25 0.00 0.00 175.52 176.27 3k9f s VAL 154 N -3.28 0.08 0.19 6.82 0.11 -1.26 -5.08 120.40 117.98 3k9f s VAL 154 Ca 0.02 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 3k9f s VAL 154 Cb 0.08 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3k9f s VAL 154 CO 0.76 -0.36 0.36 -0.76 -3.33 0.00 0.00 175.10 171.77 3k9f s LEU 155 N -2.08 4.25 0.39 2.54 1.43 -1.26 -4.76 118.68 119.20 3k9f s LEU 155 Ca -0.05 0.35 0.16 0.00 -1.03 0.00 0.00 54.13 53.56 3k9f s LEU 155 Cb -0.01 -3.11 1.04 0.00 0.03 0.00 0.00 46.19 44.15 3k9f s LEU 155 CO -0.03 -0.02 1.80 -0.65 0.23 0.00 0.00 176.35 177.68 3k9f h PRO 156 N 2.05 0.44 -5.68 1.29 0.11 -1.83 -3.43 132.00 124.95 3k9f h PRO 156 Ca -0.48 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3k9f h PRO 156 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3k9f h PRO 156 CO 0.68 0.29 -0.63 0.00 -0.21 0.00 0.00 178.00 178.13 3k9f n ALA 157 N -2.47 -2.76 0.80 -0.75 0.00 0.11 -4.85 120.51 110.59 3k9f n ALA 157 Ca 0.23 0.73 0.13 0.00 0.00 0.00 0.00 53.44 54.53 3k9f n ALA 157 Cb 0.77 -2.93 0.51 0.00 0.00 0.00 0.00 19.45 17.81 3k9f n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k9f n ALA 158 N -0.63 2.18 -2.59 0.00 0.00 -0.96 -4.62 120.51 113.89 3k9f n ALA 158 Ca 0.03 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 3k9f n ALA 158 Cb 0.53 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 3k9f n ALA 158 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3k9f s PHE 159 N -3.05 1.98 -1.25 0.00 -0.71 -1.26 -4.80 117.98 108.89 3k9f s PHE 159 Ca 0.12 -1.01 -0.12 0.00 -1.04 0.00 0.00 56.93 54.88 3k9f s PHE 159 Cb 0.15 -1.42 0.16 0.00 -1.21 0.00 0.00 43.02 40.70 3k9f s PHE 159 CO 0.50 0.05 1.64 -2.30 -1.34 0.00 0.00 175.22 173.77 3k9f n PRO 160 N -0.97 3.46 -0.01 1.99 -0.02 -1.26 -4.88 135.00 133.31 3k9f n PRO 160 Ca -0.09 -3.68 0.15 0.00 -2.02 0.00 0.00 63.50 57.86 3k9f n PRO 160 Cb 0.66 -3.01 0.59 0.00 -0.02 0.00 0.00 33.50 31.72 3k9f n PRO 160 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3k9f h ASN 161 N 6.56 0.19 0.34 2.55 -1.24 -1.82 -2.77 115.58 119.38 3k9f h ASN 161 Ca 0.36 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.37 3k9f h ASN 161 Cb 0.77 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.76 3k9f h ASN 161 CO 1.42 0.11 -0.38 0.25 -1.29 0.00 0.00 177.43 177.54 3k9f h LEU 162 N 0.21 -1.06 -0.47 0.34 6.46 -1.83 -1.66 115.31 117.31 3k9f h LEU 162 Ca 0.24 0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.96 3k9f h LEU 162 Cb 0.66 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 3k9f h LEU 162 CO -0.04 -0.52 -0.23 -0.07 -0.62 0.00 0.00 178.44 176.96 3k9f h LEU 163 N -0.76 1.01 0.13 2.25 3.38 -1.87 -1.14 115.31 118.30 3k9f h LEU 163 Ca -0.02 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3k9f h LEU 163 Cb 0.70 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3k9f h LEU 163 CO -0.09 1.19 -0.07 0.58 0.09 0.00 0.00 178.44 180.14 3k9f h VAL 164 N 0.82 0.00 0.00 1.22 2.07 -1.24 -1.21 116.25 117.91 3k9f h VAL 164 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3k9f h VAL 164 Cb 0.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3k9f h VAL 164 CO 0.07 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.44 3k9f h ASN 165 N -0.19 0.00 -0.05 0.57 2.35 -1.46 0.58 115.58 117.39 3k9f h ASN 165 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3k9f h ASN 165 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3k9f h ASN 165 CO 0.03 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 3k9f n GLY 166 N 1.16 -0.21 3.62 2.83 0.00 -0.43 -4.36 105.19 107.80 3k9f n GLY 166 Ca 0.05 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 3k9f n GLY 166 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k9f s SER 167 N -4.00 -0.19 -0.23 1.61 0.15 -0.32 -4.88 113.70 105.84 3k9f s SER 167 Ca 0.00 0.24 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 3k9f s SER 167 Cb 0.00 0.20 0.06 0.00 -1.71 0.00 0.00 66.02 64.57 3k9f s SER 167 CO 0.00 -0.15 0.59 0.42 1.20 0.00 0.00 173.24 175.30 3k9f s THR 168 N -0.84 -0.00 0.00 6.45 -4.23 -1.26 -0.20 115.64 115.55 3k9f s THR 168 Ca 0.04 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 3k9f s THR 168 Cb -0.01 -0.83 0.00 0.00 1.34 0.00 0.00 72.50 72.99 3k9f s THR 168 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3k9f n GLY 169 N 3.24 -0.65 2.65 3.99 0.00 -1.24 -5.04 105.19 108.14 3k9f n GLY 169 Ca -0.16 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 3k9f n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k9f s ILE 170 N 0.00 -0.13 0.00 -0.61 1.01 -1.26 -0.66 121.20 119.55 3k9f s ILE 170 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3k9f s ILE 170 Cb 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.97 3k9f s ILE 170 CO 0.00 -0.18 0.00 -1.54 0.00 0.00 0.00 174.94 173.22 3k9f n SER 171 N 5.29 0.00 -4.29 3.58 3.41 -0.36 -4.81 113.62 116.44 3k9f n SER 171 Ca -0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.19 3k9f n SER 171 Cb 0.49 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.31 3k9f n SER 171 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k9f s ALA 172 N -2.09 2.91 0.00 7.33 0.00 -1.26 -4.70 121.76 123.94 3k9f s ALA 172 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3k9f s ALA 172 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3k9f s ALA 172 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3k9f n GLY 173 N 4.79 2.54 3.49 0.00 0.00 -1.26 -4.89 105.19 109.87 3k9f n GLY 173 Ca -0.16 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 3k9f n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k9f s TYR 174 N -0.32 2.36 0.27 1.61 2.02 -1.26 -5.15 117.35 116.88 3k9f s TYR 174 Ca 0.00 -0.31 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 3k9f s TYR 174 Cb 0.00 -1.05 -0.06 0.00 -0.40 0.00 0.00 41.96 40.46 3k9f s TYR 174 CO 0.00 0.67 -0.02 0.00 -1.57 0.00 0.00 175.55 174.63 3k9f s ALA 175 N -2.36 2.12 -0.03 3.71 0.00 -1.26 -1.22 121.76 122.72 3k9f s ALA 175 Ca 0.29 -1.87 0.01 0.00 0.00 0.00 0.00 51.96 50.39 3k9f s ALA 175 Cb -0.06 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3k9f s ALA 175 CO 0.15 -0.18 -0.04 -0.08 0.00 0.00 0.00 175.76 175.61 3k9f s THR 176 N -3.23 0.41 -0.13 0.00 -1.32 0.17 -4.52 115.64 107.03 3k9f s THR 176 Ca 0.30 -0.11 -0.02 0.00 -1.21 0.00 0.00 61.69 60.65 3k9f s THR 176 Cb 0.05 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.66 3k9f s THR 176 CO 0.11 0.17 0.02 -1.81 -2.21 0.00 0.00 174.62 170.90 3k9f s ASP 177 N 0.58 2.15 -0.09 8.08 1.01 0.42 -3.71 116.67 125.12 3k9f s ASP 177 Ca -0.07 -0.41 0.02 0.00 0.71 0.00 0.00 52.55 52.80 3k9f s ASP 177 Cb -0.10 -0.48 0.01 0.00 1.01 0.00 0.00 42.92 43.36 3k9f s ASP 177 CO -0.00 -0.25 -0.15 -0.63 0.21 0.00 0.00 175.17 174.35 3k9f s ILE 178 N 1.94 1.43 0.49 0.77 1.01 0.71 -1.44 121.20 126.12 3k9f s ILE 178 Ca 0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 3k9f s ILE 178 Cb -0.14 -1.30 -0.08 0.00 0.01 0.00 0.00 42.46 40.95 3k9f s ILE 178 CO -0.07 0.43 0.95 -2.16 0.00 0.00 0.00 174.94 174.09 3k9f s PRO 179 N 0.82 3.95 0.55 2.79 0.05 -1.26 -1.18 135.00 140.72 3k9f s PRO 179 Ca -0.11 0.90 -0.19 0.00 0.05 0.00 0.00 61.00 61.65 3k9f s PRO 179 Cb -0.16 -2.18 -0.05 0.00 0.05 0.00 0.00 34.50 32.16 3k9f s PRO 179 CO 0.01 -0.21 1.12 -2.14 0.05 0.00 0.00 177.00 175.83 3k9f s PRO 180 N -3.95 3.32 0.16 0.56 0.02 -1.26 -4.18 135.00 129.66 3k9f s PRO 180 Ca 0.58 1.58 0.07 0.00 0.02 0.00 0.00 61.00 63.25 3k9f s PRO 180 Cb -0.10 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 3k9f s PRO 180 CO 0.30 -0.87 -0.15 -1.01 -0.33 0.00 0.00 177.00 174.94 3k9f s HIS 181 N -1.83 1.59 -0.28 6.54 3.76 0.20 -0.43 115.29 124.84 3k9f s HIS 181 Ca 0.72 -0.55 -0.28 0.00 -0.15 0.00 0.00 55.06 54.80 3k9f s HIS 181 Cb -0.23 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 3k9f s HIS 181 CO 0.28 0.25 1.95 1.21 -0.85 0.00 0.00 174.74 177.58 3k9f s ASN 182 N -2.76 5.76 0.20 1.40 3.84 -1.26 -4.37 114.94 117.74 3k9f s ASN 182 Ca 0.15 1.56 -0.17 0.00 0.21 0.00 0.00 52.86 54.61 3k9f s ASN 182 Cb -0.04 -2.52 0.19 0.00 -0.55 0.00 0.00 41.25 38.33 3k9f s ASN 182 CO 0.05 -1.77 1.38 -0.11 -2.79 0.00 0.00 177.10 173.86 3k9f n LEU 183 N 10.68 -0.62 -0.04 3.21 0.00 -1.26 -1.00 117.00 127.97 3k9f n LEU 183 Ca 0.25 1.56 -0.08 0.00 0.00 0.00 0.00 56.01 57.74 3k9f n LEU 183 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 43.42 43.51 3k9f n LEU 183 CO 0.67 -1.39 0.86 0.00 0.00 0.00 0.00 177.39 177.53 3k9f h ALA 184 N 1.15 0.18 0.04 1.96 0.00 -1.91 -1.31 119.26 119.37 3k9f h ALA 184 Ca 0.29 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.28 3k9f h ALA 184 Cb 0.52 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3k9f h ALA 184 CO -0.88 -0.44 -0.10 0.93 0.00 0.00 0.00 179.25 178.76 3k9f h GLU 185 N 0.06 -0.18 -0.63 0.00 5.08 -1.38 -0.90 114.58 116.63 3k9f h GLU 185 Ca 0.10 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3k9f h GLU 185 Cb 0.13 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3k9f h GLU 185 CO -0.18 -0.12 0.31 0.28 -1.00 0.00 0.00 179.01 178.30 3k9f h VAL 186 N -0.19 0.89 -0.21 3.13 2.07 -0.96 -1.28 116.25 119.70 3k9f h VAL 186 Ca 0.02 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3k9f h VAL 186 Cb 0.21 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3k9f h VAL 186 CO -0.07 0.10 0.07 0.40 0.02 0.00 0.00 177.57 178.09 3k9f h ILE 187 N 0.56 0.94 -0.77 4.57 2.04 -0.83 -1.21 117.51 122.81 3k9f h ILE 187 Ca 0.30 -0.06 0.12 0.00 1.00 0.00 0.00 64.86 66.22 3k9f h ILE 187 Cb 0.27 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 3k9f h ILE 187 CO -0.23 0.03 0.38 0.44 0.00 0.00 0.00 178.15 178.77 3k9f h ASP 188 N 0.16 0.48 -0.10 1.72 3.32 -0.08 0.04 116.42 121.97 3k9f h ASP 188 Ca 0.09 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3k9f h ASP 188 Cb 0.07 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3k9f h ASP 188 CO -0.10 0.24 0.04 0.00 -1.72 0.00 0.00 179.24 177.70 3k9f h ALA 189 N 1.49 0.12 -0.45 3.45 0.00 -0.84 -1.68 119.26 121.35 3k9f h ALA 189 Ca 0.40 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3k9f h ALA 189 Cb 0.49 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3k9f h ALA 189 CO -0.31 -0.29 0.21 0.00 0.00 0.00 0.00 179.25 178.85 3k9f h ALA 190 N 0.88 0.56 -0.34 0.00 0.00 -0.39 0.54 119.26 120.51 3k9f h ALA 190 Ca 0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3k9f h ALA 190 Cb 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k9f h ALA 190 CO -0.00 -0.16 0.15 0.28 0.00 0.00 0.00 179.25 179.51 3k9f h VAL 191 N 0.41 0.95 -0.21 0.00 2.07 -0.95 -0.55 116.25 117.97 3k9f h VAL 191 Ca 0.20 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.65 3k9f h VAL 191 Cb 0.14 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3k9f h VAL 191 CO -0.16 0.06 -0.01 0.22 0.02 0.00 0.00 177.57 177.70 3k9f h TYR 192 N 0.31 -0.03 0.00 1.57 5.03 -0.33 -2.19 116.97 121.33 3k9f h TYR 192 Ca 0.15 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 3k9f h TYR 192 Cb 0.09 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 3k9f h TYR 192 CO -0.12 -0.04 -0.05 1.98 -1.32 0.00 0.00 178.16 178.61 3k9f h MET 193 N 0.06 0.00 -0.13 1.82 4.05 -0.15 0.71 114.93 121.29 3k9f h MET 193 Ca 0.10 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 3k9f h MET 193 Cb 0.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 3k9f h MET 193 CO -0.18 0.05 0.04 0.82 0.23 0.00 0.00 176.91 177.87 3k9f h ILE 194 N 0.00 1.18 0.40 1.77 2.04 -0.48 -2.60 117.51 119.83 3k9f h ILE 194 Ca -0.00 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3k9f h ILE 194 Cb 0.12 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3k9f h ILE 194 CO 0.01 0.17 -0.19 0.44 0.00 0.00 0.00 178.15 178.57 3k9f h ASP 195 N 0.02 -0.46 -3.68 1.72 3.32 -1.16 -3.38 116.42 112.80 3k9f h ASP 195 Ca 0.04 -0.11 -0.75 0.00 0.02 0.00 0.00 57.03 56.22 3k9f h ASP 195 Cb 0.23 0.12 -0.31 0.00 0.22 0.00 0.00 39.33 39.59 3k9f h ASP 195 CO -0.00 -0.12 0.07 -1.00 -1.72 0.00 0.00 179.24 176.47 3k9f s HIS 196 N -4.84 3.88 0.49 4.55 3.76 0.16 -4.94 115.29 118.36 3k9f s HIS 196 Ca -0.14 -2.61 0.18 0.00 -0.15 0.00 0.00 55.06 52.34 3k9f s HIS 196 Cb 0.02 -3.56 1.20 0.00 1.11 0.00 0.00 32.58 31.36 3k9f s HIS 196 CO 0.53 -0.88 2.04 -1.35 -0.85 0.00 0.00 174.74 174.22 3k9f h PRO 197 N 6.84 0.17 -0.85 8.40 0.11 -1.66 0.60 132.00 145.62 3k9f h PRO 197 Ca 0.12 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3k9f h PRO 197 Cb 0.91 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 3k9f h PRO 197 CO 0.85 0.11 0.04 0.25 -0.21 0.00 0.00 178.00 179.04 3k9f n THR 198 N -4.46 1.29 -1.66 -1.15 -2.24 -1.26 -4.93 114.28 99.87 3k9f n THR 198 Ca 0.06 -0.63 -0.61 0.00 -2.27 0.00 0.00 64.05 60.59 3k9f n THR 198 Cb 0.35 -0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 68.04 3k9f n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k9f n ALA 199 N 0.20 -0.50 -1.63 6.98 0.00 0.20 -4.91 120.51 120.86 3k9f n ALA 199 Ca 0.14 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 3k9f n ALA 199 Cb 0.71 -2.12 0.02 0.00 0.00 0.00 0.00 19.45 18.06 3k9f n ALA 199 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3k9f s LYS 200 N 3.80 3.19 0.24 0.00 3.01 -1.26 -4.96 119.74 123.75 3k9f s LYS 200 Ca 1.04 1.26 -0.06 0.00 -1.01 0.00 0.00 55.97 57.20 3k9f s LYS 200 Cb -1.26 -2.01 0.29 0.00 -1.01 0.00 0.00 37.83 33.84 3k9f s LYS 200 CO 0.71 -0.92 1.88 0.82 0.51 0.00 0.00 175.35 178.34 3k9f h ILE 201 N 0.35 1.12 -0.16 2.17 2.04 -1.98 -3.01 117.51 118.05 3k9f h ILE 201 Ca -0.47 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.07 3k9f h ILE 201 Cb 1.23 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3k9f h ILE 201 CO 0.57 0.20 -0.31 0.44 0.00 0.00 0.00 178.15 179.05 3k9f h ASP 202 N 1.09 -0.96 -0.59 1.72 5.19 -2.00 -0.06 116.42 120.82 3k9f h ASP 202 Ca 0.36 0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.88 3k9f h ASP 202 Cb 0.05 0.41 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 3k9f h ASP 202 CO -0.13 -0.34 0.25 0.07 -3.12 0.00 0.00 179.24 175.96 3k9f h LYS 203 N -0.36 0.91 -0.42 3.56 2.10 -1.95 -2.64 116.57 117.76 3k9f h LYS 203 Ca 0.10 -0.15 0.05 0.00 -2.00 0.00 0.00 60.65 58.66 3k9f h LYS 203 Cb 0.53 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 31.66 3k9f h LYS 203 CO -0.36 0.75 0.17 -0.07 -2.00 0.00 0.00 179.45 177.93 3k9f h LEU 204 N 0.90 0.20 -1.75 7.07 3.38 -1.16 -1.04 115.31 122.91 3k9f h LEU 204 Ca 0.21 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.44 3k9f h LEU 204 Cb 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 3k9f h LEU 204 CO -0.02 0.15 0.58 0.24 0.09 0.00 0.00 178.44 179.49 3k9f h MET 205 N 0.35 0.20 -0.93 1.13 2.86 -0.67 0.19 114.93 118.05 3k9f h MET 205 Ca 0.19 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.89 3k9f h MET 205 Cb 0.16 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 3k9f h MET 205 CO -0.18 0.14 0.59 0.93 1.06 0.00 0.00 176.91 179.45 3k9f h GLU 206 N 0.21 1.04 0.00 1.72 3.07 -1.11 -2.72 114.58 116.79 3k9f h GLU 206 Ca 0.42 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.18 3k9f h GLU 206 Cb 1.33 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3k9f h GLU 206 CO -0.09 0.69 -0.28 0.74 -1.40 0.00 0.00 179.01 178.66 3k9f h PHE 207 N 1.07 0.00 -3.42 4.33 -1.00 -0.96 -3.44 116.94 113.53 3k9f h PHE 207 Ca 0.41 0.00 -0.75 0.00 2.81 0.00 0.00 57.97 60.44 3k9f h PHE 207 Cb 0.18 0.00 -0.28 0.00 3.61 0.00 0.00 35.95 39.46 3k9f h PHE 207 CO -0.02 0.83 -0.20 -1.17 -1.61 0.00 0.00 178.31 176.15 3k9f s LEU 208 N -8.22 6.09 -0.20 1.54 0.20 0.43 -4.80 118.68 113.73 3k9f s LEU 208 Ca -0.17 -2.21 -0.02 0.00 0.69 0.00 0.00 54.13 52.41 3k9f s LEU 208 Cb -0.00 -2.11 -0.00 0.00 -0.43 0.00 0.00 46.19 43.65 3k9f s LEU 208 CO 0.50 -0.67 -0.09 -2.16 -0.29 0.00 0.00 176.35 173.65 3k9f s PRO 209 N 0.92 3.32 0.32 0.98 0.05 -1.03 -3.90 135.00 135.64 3k9f s PRO 209 Ca 0.10 -0.67 0.00 0.00 0.05 0.00 0.00 61.00 60.48 3k9f s PRO 209 Cb -0.22 -2.87 0.00 0.00 0.05 0.00 0.00 34.50 31.46 3k9f s PRO 209 CO -0.02 -0.12 0.00 0.41 0.05 0.00 0.00 177.00 177.31 3k9f n GLY 210 N 4.53 -1.68 3.78 0.56 0.00 -1.26 -4.92 105.19 106.20 3k9f n GLY 210 Ca -0.19 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3k9f n GLY 210 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k9f s PRO 211 N -3.87 0.18 -0.34 1.61 0.02 -1.26 -4.88 135.00 126.46 3k9f s PRO 211 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 61.00 60.92 3k9f s PRO 211 Cb 0.00 -1.76 0.12 0.00 0.02 0.00 0.00 34.50 32.88 3k9f s PRO 211 CO 0.00 -2.77 0.18 0.34 -0.33 0.00 0.00 177.00 174.41 3k9f s ASP 212 N -4.31 3.38 0.33 2.53 2.15 0.42 -4.85 116.67 116.33 3k9f s ASP 212 Ca 0.70 -1.93 -0.27 0.00 0.43 0.00 0.00 52.55 51.47 3k9f s ASP 212 Cb -0.09 -0.55 -0.09 0.00 -0.30 0.00 0.00 42.92 41.89 3k9f s ASP 212 CO 0.54 -0.35 1.12 -0.36 -0.17 0.00 0.00 175.17 175.95 3k9f s PHE 213 N 1.32 3.36 0.48 -5.34 0.08 -1.26 -4.18 117.98 112.43 3k9f s PHE 213 Ca 0.14 1.63 0.15 0.00 0.12 0.00 0.00 56.93 58.98 3k9f s PHE 213 Cb -0.21 -3.31 1.12 0.00 -0.57 0.00 0.00 43.02 40.05 3k9f s PHE 213 CO -0.13 -0.85 2.06 -1.35 -0.10 0.00 0.00 175.22 174.85 3k9f h PRO 214 N 3.25 0.00 -0.00 0.24 0.11 -1.86 -0.96 132.00 132.78 3k9f h PRO 214 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k9f h PRO 214 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3k9f h PRO 214 CO 0.65 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 178.79 3k9f n THR 215 N -4.41 0.00 0.00 -1.15 -2.24 -1.26 -4.92 114.28 100.30 3k9f n THR 215 Ca -0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3k9f n THR 215 Cb 0.18 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 3k9f n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k9f n GLY 216 N 0.91 3.56 3.37 3.38 0.00 -0.36 -4.01 105.19 112.04 3k9f n GLY 216 Ca 0.19 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.15 3k9f n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9f n ALA 217 N 11.72 -0.34 -2.66 4.61 0.00 -1.26 -4.30 120.51 128.29 3k9f n ALA 217 Ca 0.00 0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.16 3k9f n ALA 217 Cb 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 19.45 19.18 3k9f n ALA 217 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k9f s ILE 218 N -0.65 2.56 -0.14 0.00 1.01 -0.19 -2.17 121.20 121.61 3k9f s ILE 218 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3k9f s ILE 218 Cb 0.00 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.51 3k9f s ILE 218 CO 0.00 0.57 -0.20 -0.63 0.00 0.00 0.00 174.94 174.68 3k9f s ILE 219 N -0.32 1.95 -0.07 2.92 1.01 -0.15 -0.37 121.20 126.17 3k9f s ILE 219 Ca 0.02 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 59.82 3k9f s ILE 219 Cb -0.13 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 3k9f s ILE 219 CO 0.02 0.53 -0.25 -1.10 0.00 0.00 0.00 174.94 174.15 3k9f s GLN 220 N 0.95 2.67 0.00 2.79 1.11 0.05 -1.80 119.66 125.43 3k9f s GLN 220 Ca -0.04 -0.90 0.00 0.00 0.01 0.00 0.00 55.36 54.43 3k9f s GLN 220 Cb -0.15 -2.20 0.00 0.00 -1.01 0.00 0.00 33.01 29.65 3k9f s GLN 220 CO -0.04 0.34 0.00 0.41 0.01 0.00 0.00 175.29 176.01 3k9f n GLY 221 N 3.07 0.15 0.26 3.09 0.00 -1.26 -1.04 105.19 109.47 3k9f n GLY 221 Ca -0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.88 3k9f n GLY 221 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k9f h ARG 222 N 0.00 0.14 -0.32 1.61 2.43 -1.91 0.79 114.38 117.11 3k9f h ARG 222 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3k9f h ARG 222 Cb 0.00 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3k9f h ARG 222 CO 0.00 0.09 0.06 -0.44 -1.51 0.00 0.00 179.97 178.17 3k9f h ASP 223 N 0.14 0.01 -0.80 -3.80 5.19 -1.98 0.82 116.42 116.00 3k9f h ASP 223 Ca 0.39 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.82 3k9f h ASP 223 Cb 0.67 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.21 3k9f h ASP 223 CO -0.59 0.04 0.38 -0.33 -3.12 0.00 0.00 179.24 175.62 3k9f h GLU 224 N 0.18 1.15 -0.40 3.56 4.39 -0.73 -2.11 114.58 120.62 3k9f h GLU 224 Ca 0.15 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3k9f h GLU 224 Cb 0.16 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3k9f h GLU 224 CO -0.20 0.90 0.26 0.82 -1.16 0.00 0.00 179.01 179.63 3k9f h ILE 225 N 1.13 1.11 -0.56 3.13 2.04 0.13 -0.58 117.51 123.90 3k9f h ILE 225 Ca 0.27 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3k9f h ILE 225 Cb 0.13 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 36.66 3k9f h ILE 225 CO -0.03 0.11 0.19 0.11 0.00 0.00 0.00 178.15 178.52 3k9f h LYS 226 N 0.55 0.34 -0.40 2.37 1.79 -0.57 -0.20 116.57 120.45 3k9f h LYS 226 Ca 0.15 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.63 3k9f h LYS 226 Cb -0.05 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.49 3k9f h LYS 226 CO -0.03 0.23 0.20 -0.22 -1.08 0.00 0.00 179.45 178.55 3k9f h LYS 227 N 0.36 0.40 -0.02 3.15 3.64 -0.78 0.70 116.57 124.01 3k9f h LYS 227 Ca 0.28 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3k9f h LYS 227 Cb 0.35 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3k9f h LYS 227 CO -0.30 0.26 0.01 0.00 -2.27 0.00 0.00 179.45 177.15 3k9f h ALA 228 N 1.21 0.02 0.00 5.00 0.00 -0.50 -0.05 119.26 124.94 3k9f h ALA 228 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3k9f h ALA 228 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k9f h ALA 228 CO -0.11 -0.45 -0.11 1.88 0.00 0.00 0.00 179.25 180.46 3k9f h TYR 229 N -0.03 0.00 0.14 0.00 0.05 -0.76 0.94 116.97 117.31 3k9f h TYR 229 Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3k9f h TYR 229 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3k9f h TYR 229 CO -0.06 0.11 -0.07 1.49 -1.05 0.00 0.00 178.16 178.58 3k9f h GLU 230 N 0.00 -0.18 0.03 4.88 4.57 -0.63 0.42 114.58 123.67 3k9f h GLU 230 Ca -0.00 0.01 -0.31 0.00 -1.18 0.00 0.00 59.36 57.88 3k9f h GLU 230 Cb 0.22 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 3k9f h GLU 230 CO 0.01 -0.12 -1.70 0.25 -1.18 0.00 0.00 179.01 176.27 3k9f n THR 231 N -4.69 1.60 0.00 0.32 -2.24 -0.05 -4.24 114.28 104.97 3k9f n THR 231 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3k9f n THR 231 Cb 0.07 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 66.40 3k9f n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k9f n GLY 232 N 1.59 1.03 3.11 3.38 0.00 0.32 -3.89 105.19 110.73 3k9f n GLY 232 Ca -0.36 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 3k9f n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9f s LYS 233 N 0.00 1.08 -0.22 1.61 1.02 -1.25 -1.61 119.74 120.37 3k9f s LYS 233 Ca 0.00 -0.52 -0.33 0.00 0.02 0.00 0.00 55.97 55.14 3k9f s LYS 233 Cb 0.00 -1.05 0.15 0.00 -0.52 0.00 0.00 37.83 36.42 3k9f s LYS 233 CO 0.00 0.28 1.23 0.20 -0.92 0.00 0.00 175.35 176.14 3k9f s GLY 234 N -0.44 -0.17 -0.13 -3.33 0.00 -1.08 -2.82 107.32 99.36 3k9f s GLY 234 Ca 0.05 2.04 0.00 0.00 0.00 0.00 0.00 44.72 46.81 3k9f s GLY 234 CO -0.00 0.78 -0.14 0.50 0.00 0.00 0.00 173.10 174.24 3k9f s ARG 235 N -1.79 3.33 0.14 2.90 0.52 -1.26 -0.71 118.95 122.08 3k9f s ARG 235 Ca 0.08 -0.71 0.09 0.00 -0.52 0.00 0.00 55.73 54.67 3k9f s ARG 235 Cb -0.01 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 3k9f s ARG 235 CO -0.05 0.18 -0.22 0.08 0.02 0.00 0.00 175.30 175.32 3k9f s VAL 236 N 0.42 1.97 -0.17 3.52 1.01 -0.31 -4.75 120.40 122.10 3k9f s VAL 236 Ca -0.11 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.01 3k9f s VAL 236 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3k9f s VAL 236 CO 0.05 -0.11 0.11 -0.69 0.00 0.00 0.00 175.10 174.46 3k9f s VAL 237 N -1.47 5.19 -0.16 2.92 1.01 -0.20 -1.25 120.40 126.43 3k9f s VAL 237 Ca 0.13 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.23 3k9f s VAL 237 Cb -0.08 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3k9f s VAL 237 CO 0.06 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.77 3k9f s VAL 238 N -0.10 2.08 -0.12 2.92 1.01 0.45 -0.77 120.40 125.87 3k9f s VAL 238 Ca 0.09 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.13 3k9f s VAL 238 Cb -0.12 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.43 3k9f s VAL 238 CO 0.00 0.54 -0.12 -0.60 0.00 0.00 0.00 175.10 174.92 3k9f s ARG 239 N 1.10 1.99 0.81 2.72 3.52 0.50 -1.07 118.95 128.51 3k9f s ARG 239 Ca 0.00 -0.45 -0.12 0.00 -0.13 0.00 0.00 55.73 55.03 3k9f s ARG 239 Cb -0.14 -1.83 0.09 0.00 -1.56 0.00 0.00 34.95 31.51 3k9f s ARG 239 CO -0.08 -0.17 1.15 -1.54 -0.81 0.00 0.00 175.30 173.85 3k9f s SER 240 N 1.34 3.74 -0.22 -2.12 1.04 0.11 -1.03 113.70 116.58 3k9f s SER 240 Ca 0.00 2.16 -0.13 0.00 0.48 0.00 0.00 55.95 58.46 3k9f s SER 240 Cb -0.14 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.37 3k9f s SER 240 CO -0.06 -2.56 0.27 -0.75 0.98 0.00 0.00 173.24 171.12 3k9f s LYS 241 N -4.44 4.14 0.22 4.02 2.20 -0.21 -4.77 119.74 120.90 3k9f s LYS 241 Ca 0.68 -0.04 0.11 0.00 -0.36 0.00 0.00 55.97 56.36 3k9f s LYS 241 Cb -0.24 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 3k9f s LYS 241 CO 0.53 0.05 -0.19 0.95 -0.36 0.00 0.00 175.35 176.32 3k9f s THR 242 N 1.07 2.57 0.19 3.43 -4.23 -1.26 -1.03 115.64 116.38 3k9f s THR 242 Ca 0.13 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3k9f s THR 242 Cb -0.14 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 3k9f s THR 242 CO 0.05 -0.21 0.10 -1.61 -0.54 0.00 0.00 174.62 172.41 3k9f s GLU 243 N -3.00 1.17 -0.02 3.99 2.02 -0.03 -4.99 118.70 117.84 3k9f s GLU 243 Ca 0.25 -1.60 0.07 0.00 0.02 0.00 0.00 54.97 53.71 3k9f s GLU 243 Cb -0.07 0.17 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 3k9f s GLU 243 CO 0.13 -0.34 -0.23 0.96 0.02 0.00 0.00 175.26 175.80 3k9f s ILE 244 N -4.06 1.83 -0.03 -1.63 -5.25 -1.26 -2.17 121.20 108.63 3k9f s ILE 244 Ca 0.35 -1.00 0.07 0.00 -0.99 0.00 0.00 60.65 59.08 3k9f s ILE 244 Cb 0.07 -1.52 -0.02 0.00 2.95 0.00 0.00 42.46 43.95 3k9f s ILE 244 CO 0.10 0.51 -0.23 -1.61 -1.79 0.00 0.00 174.94 171.91 3k9f s GLU 245 N -0.57 2.00 -0.04 0.37 2.02 -0.08 -4.98 118.70 117.41 3k9f s GLU 245 Ca 0.09 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.13 3k9f s GLU 245 Cb -0.09 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 3k9f s GLU 245 CO -0.01 0.46 0.32 -1.59 0.02 0.00 0.00 175.26 174.47 3k9f s LYS 246 N -0.44 3.76 -0.24 1.61 0.00 -1.26 -0.42 119.74 122.75 3k9f s LYS 246 Ca 0.06 0.23 0.02 0.00 0.00 0.00 0.00 55.97 56.28 3k9f s LYS 246 Cb -0.10 -3.21 0.05 0.00 0.00 0.00 0.00 37.83 34.57 3k9f s LYS 246 CO 0.00 0.72 -0.14 -1.17 0.00 0.00 0.00 175.35 174.76 3k9f s LEU 247 N -1.04 3.07 -0.54 2.77 1.98 0.15 -4.92 118.68 120.16 3k9f s LEU 247 Ca 0.21 -1.18 -0.42 0.00 -2.89 0.00 0.00 54.13 49.84 3k9f s LEU 247 Cb -0.15 -1.53 -0.19 0.00 0.66 0.00 0.00 46.19 44.98 3k9f s LEU 247 CO 0.10 -0.14 2.16 2.29 -1.89 0.00 0.00 176.35 178.88 3k9f n LYS 248 N 4.49 0.00 0.00 1.98 2.85 -1.26 -2.03 118.16 124.18 3k9f n LYS 248 Ca -0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 3k9f n LYS 248 Cb 0.44 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 3k9f n LYS 248 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3k9f n GLY 249 N 7.30 1.97 2.39 2.58 0.00 -1.26 -4.71 105.19 113.46 3k9f n GLY 249 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 3k9f n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9f n GLY 250 N -0.07 0.10 3.37 -0.02 0.00 -1.01 -5.04 105.19 102.53 3k9f n GLY 250 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 3k9f n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9f s LYS 251 N -5.16 1.86 -0.03 1.61 1.02 -0.86 -4.63 119.74 113.55 3k9f s LYS 251 Ca 0.17 -1.09 0.07 0.00 0.02 0.00 0.00 55.97 55.14 3k9f s LYS 251 Cb -0.07 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 3k9f s LYS 251 CO 0.21 0.52 -0.23 -1.83 -0.92 0.00 0.00 175.35 173.09 3k9f s GLU 252 N -1.31 2.25 -0.06 1.68 4.04 -1.25 0.34 118.70 124.38 3k9f s GLU 252 Ca 0.12 -0.88 0.05 0.00 0.04 0.00 0.00 54.97 54.30 3k9f s GLU 252 Cb -0.10 -2.13 -0.02 0.00 0.02 0.00 0.00 34.13 31.91 3k9f s GLU 252 CO 0.03 0.55 -0.20 -1.14 -1.84 0.00 0.00 175.26 172.65 3k9f s GLN 253 N -0.58 2.60 -0.23 -4.83 0.74 0.44 -0.88 119.66 116.92 3k9f s GLN 253 Ca 0.09 -0.82 -0.10 0.00 0.05 0.00 0.00 55.36 54.58 3k9f s GLN 253 Cb -0.11 -2.28 -0.05 0.00 1.10 0.00 0.00 33.01 31.68 3k9f s GLN 253 CO -0.00 0.45 0.15 0.42 -0.55 0.00 0.00 175.29 175.76 3k9f s ILE 254 N -0.31 5.31 -0.02 -2.34 1.01 0.64 -0.90 121.20 124.60 3k9f s ILE 254 Ca 0.01 0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.89 3k9f s ILE 254 Cb -0.13 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 3k9f s ILE 254 CO 0.02 0.36 -0.23 -0.69 0.00 0.00 0.00 174.94 174.41 3k9f s VAL 255 N 0.98 1.79 -0.07 2.92 1.01 -0.92 -0.39 120.40 125.72 3k9f s VAL 255 Ca 0.07 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.12 3k9f s VAL 255 Cb -0.13 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3k9f s VAL 255 CO 0.04 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 3k9f s ILE 256 N -0.53 1.51 -0.02 2.22 1.01 -0.30 -0.85 121.20 124.25 3k9f s ILE 256 Ca 0.09 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 60.04 3k9f s ILE 256 Cb -0.09 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.10 3k9f s ILE 256 CO -0.01 0.44 0.82 0.35 0.00 0.00 0.00 174.94 176.54 3k9f n THR 257 N 3.48 0.52 -3.64 2.92 -2.24 -0.20 -1.65 114.28 113.47 3k9f n THR 257 Ca -0.20 -0.57 -0.07 0.00 -2.27 0.00 0.00 64.05 60.94 3k9f n THR 257 Cb 0.52 0.60 -0.07 0.00 -2.10 0.00 0.00 70.33 69.29 3k9f n THR 257 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3k9f s GLU 258 N -0.65 0.61 0.44 -0.78 2.02 -1.25 -4.79 118.70 114.29 3k9f s GLU 258 Ca 0.04 0.95 0.05 0.00 0.02 0.00 0.00 54.97 56.04 3k9f s GLU 258 Cb 0.04 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.39 3k9f s GLU 258 CO 0.00 -0.11 0.05 0.96 0.02 0.00 0.00 175.26 176.18 3k9f s ILE 259 N 1.19 1.79 0.63 -1.63 -4.36 -1.26 -1.04 121.20 116.52 3k9f s ILE 259 Ca -0.07 -1.94 -0.15 0.00 -0.26 0.00 0.00 60.65 58.23 3k9f s ILE 259 Cb -0.05 -2.73 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 3k9f s ILE 259 CO -0.14 0.00 1.09 -2.84 0.24 0.00 0.00 174.94 173.29 3k9f s PRO 260 N -3.81 3.05 0.27 0.37 0.02 -1.26 -4.59 135.00 129.05 3k9f s PRO 260 Ca 0.28 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.29 3k9f s PRO 260 Cb 0.06 -1.99 -0.13 0.00 0.02 0.00 0.00 34.50 32.46 3k9f s PRO 260 CO 0.15 -1.04 1.37 0.98 -0.33 0.00 0.00 177.00 178.13 3k9f n TYR 261 N -2.23 2.18 -1.15 6.54 9.36 -1.26 -3.04 117.16 127.56 3k9f n TYR 261 Ca 0.10 0.47 -0.05 0.00 3.32 0.00 0.00 57.90 61.73 3k9f n TYR 261 Cb 0.52 -2.45 -0.02 0.00 -0.63 0.00 0.00 39.34 36.77 3k9f n TYR 261 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3k9f n GLU 262 N 1.65 -0.45 -4.93 2.98 1.02 -1.26 -5.02 120.64 114.63 3k9f n GLU 262 Ca 0.10 0.62 -0.31 0.00 -0.02 0.00 0.00 57.16 57.54 3k9f n GLU 262 Cb 0.33 -4.32 -0.14 0.00 -0.02 0.00 0.00 31.44 27.29 3k9f n GLU 262 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3k9f s ILE 263 N -2.14 2.65 -1.03 -3.67 2.07 -1.17 -5.07 121.20 112.84 3k9f s ILE 263 Ca 0.00 -1.02 -0.23 0.00 -1.41 0.00 0.00 60.65 57.99 3k9f s ILE 263 Cb 0.00 -2.03 -0.05 0.00 0.13 0.00 0.00 42.46 40.50 3k9f s ILE 263 CO 0.00 0.49 1.90 0.21 -1.91 0.00 0.00 174.94 175.63 3k9f s ASN 264 N -0.96 5.27 0.29 4.50 3.84 -1.26 -4.90 114.94 121.71 3k9f s ASN 264 Ca 0.12 -1.18 0.08 0.00 0.21 0.00 0.00 52.86 52.09 3k9f s ASN 264 Cb -0.10 -2.57 0.85 0.00 -0.55 0.00 0.00 41.25 38.87 3k9f s ASN 264 CO 0.02 -2.72 1.37 1.17 -2.79 0.00 0.00 177.10 174.15 3k9f n LYS 265 N 8.62 -0.06 -0.03 0.43 4.81 -1.15 -0.18 118.16 130.60 3k9f n LYS 265 Ca 0.42 1.27 -0.10 0.00 -0.87 0.00 0.00 58.31 59.03 3k9f n LYS 265 Cb 0.47 -2.11 -0.03 0.00 0.02 0.00 0.00 35.03 33.38 3k9f n LYS 265 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k9f h ALA 266 N 1.74 0.20 -0.45 3.14 0.00 -1.79 -1.68 119.26 120.42 3k9f h ALA 266 Ca 0.60 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 3k9f h ALA 266 Cb 1.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3k9f h ALA 266 CO -0.77 -0.36 0.08 -0.91 0.00 0.00 0.00 179.25 177.30 3k9f h ASN 267 N 0.16 0.64 -0.22 0.00 -0.26 -0.89 -1.88 115.58 113.13 3k9f h ASN 267 Ca 0.07 -0.11 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3k9f h ASN 267 Cb 0.03 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3k9f h ASN 267 CO -0.07 0.65 0.11 0.25 -1.06 0.00 0.00 177.43 177.32 3k9f h LEU 268 N 0.66 0.17 -0.10 1.61 6.46 -0.85 -1.04 115.31 122.22 3k9f h LEU 268 Ca 0.15 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.94 3k9f h LEU 268 Cb 0.29 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3k9f h LEU 268 CO 0.00 0.13 -0.04 0.58 -0.62 0.00 0.00 178.44 178.49 3k9f h VAL 269 N 0.24 0.86 -0.73 1.05 2.07 -1.08 -0.52 116.25 118.13 3k9f h VAL 269 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3k9f h VAL 269 Cb 0.02 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3k9f h VAL 269 CO -0.06 0.00 0.43 0.50 0.02 0.00 0.00 177.57 178.47 3k9f h LYS 270 N -0.03 0.78 -0.48 1.57 3.64 -0.94 -0.34 116.57 120.78 3k9f h LYS 270 Ca 0.06 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3k9f h LYS 270 Cb 0.11 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3k9f h LYS 270 CO -0.12 0.52 -0.04 0.87 -2.27 0.00 0.00 179.45 178.40 3k9f h LYS 271 N 0.80 0.87 -0.66 1.90 1.57 -0.92 0.38 116.57 120.52 3k9f h LYS 271 Ca 0.32 -0.30 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3k9f h LYS 271 Cb 0.15 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 3k9f h LYS 271 CO -0.17 0.93 0.34 0.82 -0.57 0.00 0.00 179.45 180.81 3k9f h ILE 272 N 0.73 0.90 -0.43 1.86 2.04 -0.33 -0.63 117.51 121.65 3k9f h ILE 272 Ca 0.13 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.79 3k9f h ILE 272 Cb 0.57 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3k9f h ILE 272 CO 0.03 0.11 0.28 -0.78 0.00 0.00 0.00 178.15 177.79 3k9f h ASP 273 N 0.61 0.47 -0.77 1.72 3.58 -0.80 -2.73 116.42 118.49 3k9f h ASP 273 Ca 0.31 -0.01 0.08 0.00 0.42 0.00 0.00 57.03 57.84 3k9f h ASP 273 Cb 0.26 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 3k9f h ASP 273 CO -0.22 0.34 0.50 0.44 -2.88 0.00 0.00 179.24 177.42 3k9f h ASP 274 N 0.56 0.67 -0.92 2.28 5.19 -0.14 0.45 116.42 124.50 3k9f h ASP 274 Ca 0.16 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.62 3k9f h ASP 274 Cb -0.04 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 39.29 3k9f h ASP 274 CO -0.05 0.41 0.60 0.58 -3.12 0.00 0.00 179.24 177.66 3k9f h VAL 275 N 0.75 1.14 -0.06 -1.35 2.07 -0.84 -2.55 116.25 115.41 3k9f h VAL 275 Ca 0.35 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3k9f h VAL 275 Cb 0.37 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3k9f h VAL 275 CO -0.13 0.21 -0.03 -0.09 0.02 0.00 0.00 177.57 177.55 3k9f h ARG 276 N 1.15 0.13 0.45 1.57 2.43 -0.82 -1.30 114.38 117.99 3k9f h ARG 276 Ca 0.37 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3k9f h ARG 276 Cb 0.02 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3k9f h ARG 276 CO -0.13 0.50 -0.41 0.28 -1.51 0.00 0.00 179.97 178.71 3k9f h VAL 277 N -0.25 0.18 0.00 0.20 2.07 -1.09 0.42 116.25 117.77 3k9f h VAL 277 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3k9f h VAL 277 Cb 0.46 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3k9f h VAL 277 CO 0.01 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.19 3k9f n ASN 278 N -5.51 0.00 -3.95 0.57 4.13 -0.97 -4.89 115.26 104.64 3k9f n ASN 278 Ca -0.11 -0.12 -0.41 0.00 1.68 0.00 0.00 54.58 55.62 3k9f n ASN 278 Cb 0.41 -0.11 0.02 0.00 -1.54 0.00 0.00 39.78 38.56 3k9f n ASN 278 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3k9f n ASN 279 N -1.11 -4.54 -0.01 6.41 2.85 0.14 -4.83 115.26 114.17 3k9f n ASN 279 Ca 0.06 -1.19 0.14 0.00 -0.11 0.00 0.00 54.58 53.48 3k9f n ASN 279 Cb 0.05 -2.12 0.65 0.00 1.24 0.00 0.00 39.78 39.60 3k9f n ASN 279 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3k9f n LYS 280 N -4.62 0.21 -3.67 1.20 4.76 -0.53 -4.83 118.16 110.68 3k9f n LYS 280 Ca -0.12 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 3k9f n LYS 280 Cb 0.58 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.22 3k9f n LYS 280 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3k9f s VAL 281 N -2.80 0.08 -0.12 -0.18 0.11 -1.26 -5.11 120.40 111.12 3k9f s VAL 281 Ca 0.21 -0.68 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 3k9f s VAL 281 Cb 0.19 -1.19 -0.25 0.00 -1.53 0.00 0.00 36.38 33.61 3k9f s VAL 281 CO 0.51 -0.37 0.35 0.00 -3.33 0.00 0.00 175.10 172.25 3k9f n ALA 282 N -0.17 1.08 0.00 1.54 0.00 -1.26 -4.11 120.51 117.58 3k9f n ALA 282 Ca -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3k9f n ALA 282 Cb 0.63 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k9f n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k9f n GLY 283 N 1.94 0.00 3.77 0.00 0.00 -1.26 -4.77 105.19 104.86 3k9f n GLY 283 Ca -0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3k9f n GLY 283 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k9f s ILE 284 N -1.80 2.49 0.00 -0.61 1.01 -1.26 -4.38 121.20 116.64 3k9f s ILE 284 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3k9f s ILE 284 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.21 3k9f s ILE 284 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.01 3k9f n ALA 285 N 0.09 0.00 -2.57 9.38 0.00 -1.26 -4.46 120.51 121.69 3k9f n ALA 285 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 3k9f n ALA 285 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 3k9f n ALA 285 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3k9f s GLU 286 N 2.07 2.08 -0.11 0.00 2.12 -1.03 -5.04 118.70 118.80 3k9f s GLU 286 Ca 0.00 -1.07 0.04 0.00 0.36 0.00 0.00 54.97 54.29 3k9f s GLU 286 Cb 0.00 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.12 3k9f s GLU 286 CO 0.00 0.50 -0.23 0.08 -0.54 0.00 0.00 175.26 175.07 3k9f s VAL 287 N -1.27 2.01 -0.03 3.70 1.01 -1.26 -2.58 120.40 121.99 3k9f s VAL 287 Ca 0.21 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3k9f s VAL 287 Cb -0.11 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3k9f s VAL 287 CO 0.14 0.55 -0.07 -0.13 0.00 0.00 0.00 175.10 175.58 3k9f s ARG 288 N 0.49 0.82 -0.35 2.72 0.52 -0.07 -5.03 118.95 118.05 3k9f s ARG 288 Ca -0.16 -0.22 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 3k9f s ARG 288 Cb -0.17 -0.79 -0.01 0.00 0.52 0.00 0.00 34.95 34.50 3k9f s ARG 288 CO 0.06 0.05 0.33 0.34 0.02 0.00 0.00 175.30 176.10 3k9f s ASP 289 N 0.37 6.14 -0.59 0.23 3.68 -1.26 -1.13 116.67 124.10 3k9f s ASP 289 Ca -0.05 -0.36 0.05 0.00 2.13 0.00 0.00 52.55 54.32 3k9f s ASP 289 Cb -0.09 -2.18 0.18 0.00 -1.45 0.00 0.00 42.92 39.38 3k9f s ASP 289 CO 0.00 -0.33 0.48 -1.84 0.13 0.00 0.00 175.17 173.61 3k9f n GLU 290 N 5.31 1.34 -4.94 4.34 0.28 -0.45 -5.01 120.64 121.51 3k9f n GLU 290 Ca -0.10 -4.04 -0.30 0.00 -0.16 0.00 0.00 57.16 52.56 3k9f n GLU 290 Cb 0.49 -2.03 -0.15 0.00 1.43 0.00 0.00 31.44 31.18 3k9f n GLU 290 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3k9f s SER 291 N -1.10 3.09 0.32 -1.84 0.01 -1.24 -3.80 113.70 109.14 3k9f s SER 291 Ca 0.30 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 57.02 3k9f s SER 291 Cb 0.02 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 3k9f s SER 291 CO -0.16 0.26 0.14 1.51 0.41 0.00 0.00 173.24 175.40 3k9f s ASP 292 N -1.15 1.75 0.36 2.44 1.47 -1.01 -4.96 116.67 115.57 3k9f s ASP 292 Ca 0.11 -1.55 -0.18 0.00 1.18 0.00 0.00 52.55 52.12 3k9f s ASP 292 Cb -0.10 0.35 -0.13 0.00 -0.34 0.00 0.00 42.92 42.69 3k9f s ASP 292 CO 0.02 -0.86 0.05 -2.11 0.68 0.00 0.00 175.17 172.95 3k9f n ARG 293 N -0.63 0.00 -2.34 2.11 1.85 -1.26 -2.22 116.66 114.18 3k9f n ARG 293 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.66 3k9f n ARG 293 Cb 0.65 -0.86 -0.01 0.00 -1.05 0.00 0.00 32.46 31.19 3k9f n ARG 293 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3k9f n ASP 294 N 2.04 -5.35 0.00 2.89 3.85 -1.26 -4.97 116.55 113.75 3k9f n ASP 294 Ca 0.09 -0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.16 3k9f n ASP 294 Cb 0.35 -4.41 0.00 0.00 -1.35 0.00 0.00 41.12 35.71 3k9f n ASP 294 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3k9f n GLY 295 N -1.01 3.48 3.64 6.12 0.00 -0.94 -5.13 105.19 111.34 3k9f n GLY 295 Ca -0.22 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3k9f n GLY 295 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k9f s LEU 296 N 0.00 4.09 -0.08 0.99 0.20 -1.26 -2.40 118.68 120.22 3k9f s LEU 296 Ca 0.00 0.10 -0.03 0.00 0.69 0.00 0.00 54.13 54.89 3k9f s LEU 296 Cb 0.00 -2.13 0.05 0.00 -0.43 0.00 0.00 46.19 43.67 3k9f s LEU 296 CO 0.00 0.02 0.14 -0.60 -0.29 0.00 0.00 176.35 175.63 3k9f s ARG 297 N 1.28 0.02 -0.20 1.98 3.52 -1.25 -4.52 118.95 119.79 3k9f s ARG 297 Ca 0.08 0.50 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 3k9f s ARG 297 Cb -0.14 -0.39 0.03 0.00 -1.56 0.00 0.00 34.95 32.89 3k9f s ARG 297 CO 0.07 -0.33 -0.18 0.42 -0.81 0.00 0.00 175.30 174.46 3k9f s ILE 298 N 2.27 2.08 -0.27 4.11 1.01 -0.66 -1.35 121.20 128.39 3k9f s ILE 298 Ca 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.54 3k9f s ILE 298 Cb -0.12 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.41 3k9f s ILE 298 CO -0.06 0.40 0.01 0.00 0.00 0.00 0.00 174.94 175.30 3k9f s ALA 299 N 1.25 2.89 -0.38 9.38 0.00 -0.28 -1.15 121.76 133.46 3k9f s ALA 299 Ca 0.02 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.53 3k9f s ALA 299 Cb -0.15 -1.93 0.11 0.00 0.00 0.00 0.00 23.12 21.15 3k9f s ALA 299 CO -0.11 -0.89 0.12 0.42 0.00 0.00 0.00 175.76 175.30 3k9f s ILE 300 N 1.41 2.57 -0.15 0.00 1.01 0.47 -0.90 121.20 125.61 3k9f s ILE 300 Ca 0.01 -2.42 -0.06 0.00 0.00 0.00 0.00 60.65 58.19 3k9f s ILE 300 Cb -0.17 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3k9f s ILE 300 CO -0.01 -0.65 0.05 -1.61 0.00 0.00 0.00 174.94 172.72 3k9f s GLU 301 N 0.79 3.67 0.50 2.79 0.41 -1.07 -0.26 118.70 125.53 3k9f s GLU 301 Ca 0.11 -0.35 0.08 0.00 -0.41 0.00 0.00 54.97 54.40 3k9f s GLU 301 Cb -0.21 -3.09 0.04 0.00 -1.78 0.00 0.00 34.13 29.09 3k9f s GLU 301 CO -0.06 0.43 0.56 -0.48 -0.49 0.00 0.00 175.26 175.22 3k9f s LEU 302 N -0.08 3.17 -0.23 1.80 2.34 -0.06 -2.45 118.68 123.17 3k9f s LEU 302 Ca 0.06 -0.85 -0.09 0.00 0.06 0.00 0.00 54.13 53.31 3k9f s LEU 302 Cb -0.12 -1.79 -0.11 0.00 -0.56 0.00 0.00 46.19 43.60 3k9f s LEU 302 CO 0.01 -1.02 -0.28 0.29 -1.06 0.00 0.00 176.35 174.29 3k9f n LYS 303 N -1.89 0.50 0.00 1.48 4.01 -1.26 -3.87 118.16 117.13 3k9f n LYS 303 Ca 0.07 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 3k9f n LYS 303 Cb 0.62 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 3k9f n LYS 303 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3k9f n LYS 304 N -3.85 0.00 -1.76 1.97 -0.00 -1.26 -4.74 118.16 108.52 3k9f n LYS 304 Ca -0.44 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.68 3k9f n LYS 304 Cb 0.84 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.78 3k9f n LYS 304 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 3k9f s ASP 305 N -0.77 4.02 -1.15 -5.58 1.47 -1.26 -4.86 116.67 108.54 3k9f s ASP 305 Ca 0.00 -1.02 -0.19 0.00 1.18 0.00 0.00 52.55 52.51 3k9f s ASP 305 Cb 0.00 -2.59 -0.05 0.00 -0.34 0.00 0.00 42.92 39.95 3k9f s ASP 305 CO 0.00 -4.08 1.96 0.00 0.68 0.00 0.00 175.17 173.72 3k9f n ALA 306 N 17.79 3.50 0.23 2.11 0.00 -1.26 -4.68 120.51 138.20 3k9f n ALA 306 Ca 0.43 -3.49 0.00 0.00 0.00 0.00 0.00 53.44 50.38 3k9f n ALA 306 Cb 0.46 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.34 3k9f n ALA 306 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3k9f n ASN 307 N 9.10 0.86 -0.26 0.00 0.23 -1.26 -4.72 115.26 119.21 3k9f n ASN 307 Ca 0.49 -0.61 -0.07 0.00 -0.53 0.00 0.00 54.58 53.85 3k9f n ASN 307 Cb 0.43 -0.15 -0.07 0.00 -2.08 0.00 0.00 39.78 37.91 3k9f n ASN 307 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3k9f h THR 308 N 0.82 0.00 -0.24 5.53 1.35 -1.96 0.10 112.91 118.52 3k9f h THR 308 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 3k9f h THR 308 Cb 0.27 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.67 3k9f h THR 308 CO 0.00 0.00 -0.08 -0.33 -0.25 0.00 0.00 175.52 174.86 3k9f h GLU 309 N -0.03 0.37 0.59 4.72 4.39 -1.99 0.02 114.58 122.65 3k9f h GLU 309 Ca 0.10 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3k9f h GLU 309 Cb 0.28 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3k9f h GLU 309 CO -0.59 0.47 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.37 3k9f h LEU 310 N 0.35 -0.67 -0.32 1.33 -0.00 -1.46 -2.57 115.31 111.97 3k9f h LEU 310 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.91 3k9f h LEU 310 Cb 0.37 0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 3k9f h LEU 310 CO 0.02 -0.45 0.01 0.58 -0.00 0.00 0.00 178.44 178.60 3k9f h VAL 311 N -0.84 1.25 -0.35 1.22 2.07 -0.65 -2.41 116.25 116.54 3k9f h VAL 311 Ca -0.08 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 66.58 3k9f h VAL 311 Cb 0.63 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.56 3k9f h VAL 311 CO 0.13 0.30 -0.10 0.25 0.02 0.00 0.00 177.57 178.18 3k9f h LEU 312 N 0.36 -0.36 -1.38 2.57 6.46 -1.10 -1.35 115.31 120.51 3k9f h LEU 312 Ca 0.09 0.11 0.11 0.00 -0.12 0.00 0.00 57.88 58.07 3k9f h LEU 312 Cb 0.43 0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 40.53 3k9f h LEU 312 CO 0.01 -0.13 0.52 0.78 -0.62 0.00 0.00 178.44 179.01 3k9f h ASN 313 N -0.02 0.60 -0.20 1.25 2.35 -1.22 -2.07 115.58 116.27 3k9f h ASN 313 Ca 0.17 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3k9f h ASN 313 Cb 0.28 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3k9f h ASN 313 CO -0.37 0.34 0.08 0.22 -1.65 0.00 0.00 177.43 176.05 3k9f h TYR 314 N 0.66 0.31 -0.30 1.19 5.03 -0.76 -3.11 116.97 119.99 3k9f h TYR 314 Ca 0.38 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.69 3k9f h TYR 314 Cb 0.56 -0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 3k9f h TYR 314 CO -0.00 0.36 0.13 -0.07 -1.32 0.00 0.00 178.16 177.25 3k9f h LEU 315 N 0.18 0.16 -1.14 2.82 3.38 -0.82 -0.18 115.31 119.71 3k9f h LEU 315 Ca 0.07 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.33 3k9f h LEU 315 Cb 0.18 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 3k9f h LEU 315 CO -0.01 0.13 0.63 -0.26 0.09 0.00 0.00 178.44 179.02 3k9f h PHE 316 N 0.27 0.87 0.20 1.13 0.05 -1.43 0.15 116.94 118.18 3k9f h PHE 316 Ca 0.13 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.94 3k9f h PHE 316 Cb 0.08 -0.25 0.00 0.00 2.00 0.00 0.00 35.95 37.78 3k9f h PHE 316 CO -0.12 0.04 -0.09 0.87 -0.18 0.00 0.00 178.31 178.83 3k9f h LYS 317 N 0.49 -0.25 0.00 1.51 1.57 -1.34 -3.33 116.57 115.21 3k9f h LYS 317 Ca 0.64 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 3k9f h LYS 317 Cb 1.39 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3k9f h LYS 317 CO -0.42 -0.17 -0.19 1.88 -0.57 0.00 0.00 179.45 179.98 3k9f h TYR 318 N -0.55 0.00 -4.98 -1.35 0.05 -0.41 -3.46 116.97 106.26 3k9f h TYR 318 Ca -0.03 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.32 3k9f h TYR 318 Cb 0.20 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 3k9f h TYR 318 CO 0.05 0.00 -0.27 0.25 -1.05 0.00 0.00 178.16 177.13 3k9f n THR 319 N -2.43 0.00 1.07 -2.88 -2.24 0.46 -5.04 114.28 103.22 3k9f n THR 319 Ca 0.04 -1.61 0.11 0.00 -2.27 0.00 0.00 64.05 60.32 3k9f n THR 319 Cb 0.46 0.12 0.34 0.00 -2.10 0.00 0.00 70.33 69.15 3k9f n THR 319 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k9f n ASP 320 N -1.51 2.00 -0.41 3.42 8.00 -1.26 -3.90 116.55 122.89 3k9f n ASP 320 Ca -0.09 -1.76 0.36 0.00 0.71 0.00 0.00 54.79 54.01 3k9f n ASP 320 Cb 0.44 -0.13 0.69 0.00 -0.02 0.00 0.00 41.12 42.11 3k9f n ASP 320 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3k9f h LEU 321 N 2.66 0.14 -7.93 0.64 3.38 -1.87 -3.32 115.31 109.02 3k9f h LEU 321 Ca 0.00 0.04 -0.48 0.00 0.09 0.00 0.00 57.88 57.54 3k9f h LEU 321 Cb 0.58 0.03 -0.33 0.00 0.09 0.00 0.00 40.66 41.03 3k9f h LEU 321 CO 0.00 -0.02 -0.80 -1.58 0.09 0.00 0.00 178.44 176.13 3k9f s GLN 322 N -5.12 1.37 0.32 1.13 0.74 -1.25 -0.71 119.66 116.14 3k9f s GLN 322 Ca -0.06 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.05 3k9f s GLN 322 Cb 0.25 -1.19 -0.04 0.00 1.10 0.00 0.00 33.01 33.13 3k9f s GLN 322 CO 0.82 0.02 0.12 0.96 -0.55 0.00 0.00 175.29 176.66 3k9f s ILE 323 N 0.63 0.61 0.17 -2.34 -4.36 -0.24 -4.80 121.20 110.88 3k9f s ILE 323 Ca -0.12 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.34 3k9f s ILE 323 Cb -0.14 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 3k9f s ILE 323 CO 0.02 0.00 0.01 0.54 0.24 0.00 0.00 174.94 175.75 3k9f s ASN 324 N -3.43 4.82 -0.04 4.36 6.03 -1.26 -0.41 114.94 125.01 3k9f s ASN 324 Ca 0.34 -0.38 0.05 0.00 -1.03 0.00 0.00 52.86 51.84 3k9f s ASN 324 Cb 0.06 -1.04 -0.02 0.00 -3.03 0.00 0.00 41.25 37.21 3k9f s ASN 324 CO 0.16 0.09 -0.19 -0.47 -2.03 0.00 0.00 177.10 174.65 3k9f s TYR 325 N -1.74 2.56 -0.12 1.54 6.14 -0.38 -4.92 117.35 120.43 3k9f s TYR 325 Ca 0.28 -0.33 0.01 0.00 0.64 0.00 0.00 57.07 57.67 3k9f s TYR 325 Cb -0.09 -1.60 -0.02 0.00 0.42 0.00 0.00 41.96 40.68 3k9f s TYR 325 CO 0.19 0.05 -0.14 -0.80 0.64 0.00 0.00 175.55 175.49 3k9f s ASN 326 N -0.58 3.96 -0.17 4.32 0.01 -1.26 -1.16 114.94 120.06 3k9f s ASN 326 Ca 0.08 -0.32 -0.24 0.00 -0.71 0.00 0.00 52.86 51.67 3k9f s ASN 326 Cb -0.11 -1.48 -0.02 0.00 0.41 0.00 0.00 41.25 40.06 3k9f s ASN 326 CO 0.01 0.19 0.77 -0.36 -1.51 0.00 0.00 177.10 176.20 3k9f s PHE 327 N 0.18 3.42 -0.42 2.20 0.08 0.11 -4.81 117.98 118.74 3k9f s PHE 327 Ca -0.08 1.17 0.02 0.00 0.12 0.00 0.00 56.93 58.16 3k9f s PHE 327 Cb -0.15 -2.95 0.14 0.00 -0.57 0.00 0.00 43.02 39.49 3k9f s PHE 327 CO 0.05 -0.21 0.26 1.21 -0.10 0.00 0.00 175.22 176.43 3k9f s ASN 328 N 1.15 3.19 -0.63 1.36 3.04 -0.52 -2.62 114.94 119.91 3k9f s ASN 328 Ca 0.36 -2.60 -0.22 0.00 0.04 0.00 0.00 52.86 50.43 3k9f s ASN 328 Cb -0.16 -0.77 0.07 0.00 -1.54 0.00 0.00 41.25 38.84 3k9f s ASN 328 CO 0.12 -0.26 0.93 -0.04 -3.04 0.00 0.00 177.10 174.81 3k9f s MET 329 N 0.46 3.14 -0.06 0.43 -1.94 -0.63 -0.43 119.30 120.26 3k9f s MET 329 Ca 0.20 -0.77 0.04 0.00 -1.71 0.00 0.00 55.69 53.45 3k9f s MET 329 Cb -0.19 -4.20 0.00 0.00 2.01 0.00 0.00 34.83 32.46 3k9f s MET 329 CO -0.03 -1.72 -0.18 0.08 -0.01 0.00 0.00 175.02 173.16 3k9f s VAL 330 N 3.89 1.56 0.25 -6.03 1.01 -1.26 -0.44 120.40 119.39 3k9f s VAL 330 Ca 0.22 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3k9f s VAL 330 Cb -0.17 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3k9f s VAL 330 CO 0.11 0.45 0.15 0.00 0.00 0.00 0.00 175.10 175.81 3k9f s ALA 331 N 0.26 1.55 -0.32 5.51 0.00 -0.56 -4.70 121.76 123.50 3k9f s ALA 331 Ca -0.10 -1.79 -0.12 0.00 0.00 0.00 0.00 51.96 49.94 3k9f s ALA 331 Cb -0.14 1.28 -0.03 0.00 0.00 0.00 0.00 23.12 24.22 3k9f s ALA 331 CO 0.04 -0.55 0.23 0.42 0.00 0.00 0.00 175.76 175.90 3k9f s ILE 332 N -3.87 5.29 -0.06 0.00 -1.09 0.24 -0.65 121.20 121.06 3k9f s ILE 332 Ca 0.38 -0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.81 3k9f s ILE 332 Cb 0.06 -3.65 -0.00 0.00 -1.58 0.00 0.00 42.46 37.29 3k9f s ILE 332 CO 0.15 0.09 -0.20 -0.62 -1.23 0.00 0.00 174.94 173.13 3k9f s ASP 333 N 1.74 2.54 -1.40 3.58 3.68 -0.25 -2.42 116.67 124.13 3k9f s ASP 333 Ca 0.07 -0.43 -0.03 0.00 2.13 0.00 0.00 52.55 54.28 3k9f s ASP 333 Cb -0.17 -0.90 0.00 0.00 -1.45 0.00 0.00 42.92 40.40 3k9f s ASP 333 CO 0.11 0.15 0.38 -3.20 0.13 0.00 0.00 175.17 172.74 3k9f n ASN 334 N 3.31 -0.63 0.00 -0.34 4.05 -1.26 -1.22 115.26 119.17 3k9f n ASN 334 Ca -0.19 -1.08 0.00 0.00 0.45 0.00 0.00 54.58 53.76 3k9f n ASN 334 Cb 0.53 -2.72 0.00 0.00 1.23 0.00 0.00 39.78 38.81 3k9f n ASN 334 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3k9f n PHE 335 N -4.45 0.00 -4.27 1.20 3.01 -1.26 -4.93 117.46 106.75 3k9f n PHE 335 Ca -0.29 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 57.96 3k9f n PHE 335 Cb 0.68 -0.84 -0.12 0.00 -0.01 0.00 0.00 39.48 39.19 3k9f n PHE 335 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3k9f s THR 336 N -1.89 1.58 0.18 4.37 -4.23 -0.36 -4.83 115.64 110.46 3k9f s THR 336 Ca 0.00 -1.65 -0.32 0.00 -1.18 0.00 0.00 61.69 58.54 3k9f s THR 336 Cb 0.00 -1.57 -0.11 0.00 1.34 0.00 0.00 72.50 72.17 3k9f s THR 336 CO 0.00 -0.23 1.60 -2.16 -0.54 0.00 0.00 174.62 173.30 3k9f s PRO 337 N -2.29 4.19 0.05 3.99 0.05 -1.26 -1.09 135.00 138.64 3k9f s PRO 337 Ca 0.08 2.43 0.05 0.00 0.05 0.00 0.00 61.00 63.61 3k9f s PRO 337 Cb -0.08 -3.13 -0.02 0.00 0.05 0.00 0.00 34.50 31.32 3k9f s PRO 337 CO 0.04 -0.64 -0.13 0.50 0.05 0.00 0.00 177.00 176.82 3k9f s ARG 338 N 1.07 0.86 -0.14 4.56 3.52 0.18 -4.88 118.95 124.13 3k9f s ARG 338 Ca 0.71 -0.79 -0.14 0.00 -0.13 0.00 0.00 55.73 55.38 3k9f s ARG 338 Cb -0.45 -0.86 -0.05 0.00 -1.56 0.00 0.00 34.95 32.03 3k9f s ARG 338 CO 0.32 0.21 0.33 -1.14 -0.81 0.00 0.00 175.30 174.20 3k9f s GLN 339 N -1.28 4.21 0.01 5.12 0.74 -1.26 -1.49 119.66 125.70 3k9f s GLN 339 Ca -0.00 0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.59 3k9f s GLN 339 Cb -0.08 -3.40 -0.01 0.00 1.10 0.00 0.00 33.01 30.62 3k9f s GLN 339 CO 0.01 0.29 -0.03 0.14 -0.55 0.00 0.00 175.29 175.16 3k9f s VAL 340 N 0.29 0.16 0.59 1.34 -7.23 0.42 -4.95 120.40 111.02 3k9f s VAL 340 Ca 0.19 -0.40 0.10 0.00 -1.81 0.00 0.00 61.98 60.05 3k9f s VAL 340 Cb -0.14 -0.20 0.09 0.00 0.56 0.00 0.00 36.38 36.70 3k9f s VAL 340 CO 0.06 -0.16 0.79 -0.83 -0.31 0.00 0.00 175.10 174.65 3k9f s GLY 341 N -0.59 1.74 0.30 2.32 0.00 -1.25 -4.16 107.32 105.67 3k9f s GLY 341 Ca -0.05 -2.14 0.05 0.00 0.00 0.00 0.00 44.72 42.58 3k9f s GLY 341 CO -0.00 -1.72 1.73 -2.22 0.00 0.00 0.00 173.10 170.88 3k9f h ILE 342 N 0.16 0.56 0.84 0.90 2.04 -1.17 -3.00 117.51 117.84 3k9f h ILE 342 Ca -0.29 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3k9f h ILE 342 Cb 1.29 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3k9f h ILE 342 CO 0.41 0.10 -0.41 0.58 0.00 0.00 0.00 178.15 178.83 3k9f h VAL 343 N 0.53 0.16 -0.59 1.67 2.07 -1.93 -0.45 116.25 117.72 3k9f h VAL 343 Ca 0.57 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.20 3k9f h VAL 343 Cb 1.03 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3k9f h VAL 343 CO -0.47 0.00 0.13 -0.65 0.02 0.00 0.00 177.57 176.60 3k9f h PRO 344 N -1.14 0.26 -0.03 1.57 0.11 -1.93 0.16 132.00 130.99 3k9f h PRO 344 Ca -0.11 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.01 3k9f h PRO 344 Cb 0.87 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 3k9f h PRO 344 CO 0.18 0.17 -0.16 0.82 -0.21 0.00 0.00 178.00 178.81 3k9f h ILE 345 N 0.26 0.60 -0.35 4.15 2.04 -1.39 -0.63 117.51 122.20 3k9f h ILE 345 Ca 0.31 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 3k9f h ILE 345 Cb 0.46 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3k9f h ILE 345 CO -0.39 0.00 0.21 -0.07 0.00 0.00 0.00 178.15 177.89 3k9f h LEU 346 N -0.25 0.42 -0.19 1.44 3.38 -0.69 -2.21 115.31 117.22 3k9f h LEU 346 Ca 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3k9f h LEU 346 Cb 0.33 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3k9f h LEU 346 CO -0.18 0.36 0.09 0.77 0.09 0.00 0.00 178.44 179.57 3k9f h SER 347 N 0.45 0.26 -0.21 -0.43 4.64 -0.51 -1.49 113.55 116.27 3k9f h SER 347 Ca 0.13 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 3k9f h SER 347 Cb 0.02 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 3k9f h SER 347 CO -0.02 0.33 0.03 0.77 -0.87 0.00 0.00 176.83 177.07 3k9f h SER 348 N 0.17 0.41 -0.25 4.97 4.64 -1.13 0.35 113.55 122.71 3k9f h SER 348 Ca 0.07 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 3k9f h SER 348 Cb 0.15 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3k9f h SER 348 CO -0.01 0.45 0.04 0.22 -0.87 0.00 0.00 176.83 176.67 3k9f h TYR 349 N 0.44 0.43 -0.14 4.77 3.20 -1.12 -0.68 116.97 123.87 3k9f h TYR 349 Ca 0.10 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3k9f h TYR 349 Cb 0.24 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3k9f h TYR 349 CO 0.01 0.52 -0.02 0.82 -1.64 0.00 0.00 178.16 177.84 3k9f h ILE 350 N 0.21 0.87 -0.57 1.81 2.04 -1.01 -1.76 117.51 119.10 3k9f h ILE 350 Ca 0.07 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3k9f h ILE 350 Cb 0.32 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3k9f h ILE 350 CO 0.00 0.00 0.38 0.00 0.00 0.00 0.00 178.15 178.54 3k9f h ALA 351 N 1.14 1.76 -0.17 1.87 0.00 -0.81 -0.04 119.26 123.00 3k9f h ALA 351 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3k9f h ALA 351 Cb 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3k9f h ALA 351 CO -0.14 0.17 -0.02 1.25 0.00 0.00 0.00 179.25 180.52 3k9f h HIS 352 N 0.62 0.35 -0.15 0.00 -0.00 -0.89 -2.61 115.15 112.46 3k9f h HIS 352 Ca 0.24 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 3k9f h HIS 352 Cb 0.17 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 3k9f h HIS 352 CO -0.00 0.55 -0.03 0.00 -0.00 0.00 0.00 177.93 178.45 3k9f h ARG 353 N 0.05 0.22 0.61 5.26 2.47 -0.55 -0.60 114.38 121.84 3k9f h ARG 353 Ca 0.05 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3k9f h ARG 353 Cb 0.42 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3k9f h ARG 353 CO 0.01 0.27 -0.29 -0.09 0.56 0.00 0.00 179.97 180.43 3k9f h ARG 354 N 0.22 -0.79 -0.97 0.04 2.43 -0.92 0.18 114.38 114.57 3k9f h ARG 354 Ca 0.05 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 3k9f h ARG 354 Cb 0.20 0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 3k9f h ARG 354 CO 0.01 -0.52 0.62 0.93 -1.51 0.00 0.00 179.97 179.50 3k9f h GLU 355 N -0.84 1.13 0.17 0.20 4.39 -1.08 0.65 114.58 119.21 3k9f h GLU 355 Ca -0.08 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3k9f h GLU 355 Cb 0.63 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3k9f h GLU 355 CO 0.14 0.75 -0.08 0.28 -1.16 0.00 0.00 179.01 178.93 3k9f h VAL 356 N 1.17 0.91 -0.72 3.13 2.07 -0.94 -0.40 116.25 121.46 3k9f h VAL 356 Ca 0.40 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3k9f h VAL 356 Cb 0.09 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3k9f h VAL 356 CO -0.15 0.09 0.40 0.40 0.02 0.00 0.00 177.57 178.33 3k9f h ILE 357 N -0.42 1.21 -0.09 4.57 2.04 -0.29 0.15 117.51 124.67 3k9f h ILE 357 Ca -0.02 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3k9f h ILE 357 Cb 0.33 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3k9f h ILE 357 CO 0.04 0.23 0.04 -0.07 0.00 0.00 0.00 178.15 178.39 3k9f h LEU 358 N 1.00 0.13 -0.61 1.44 3.38 -0.79 -2.22 115.31 117.64 3k9f h LEU 358 Ca 0.26 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3k9f h LEU 358 Cb 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3k9f h LEU 358 CO -0.04 0.25 0.12 0.00 0.09 0.00 0.00 178.44 178.86 3k9f h ALA 359 N 0.88 0.81 -0.52 1.53 0.00 -0.57 -0.34 119.26 121.05 3k9f h ALA 359 Ca 0.03 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3k9f h ALA 359 Cb 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3k9f h ALA 359 CO -0.00 0.54 0.18 -0.09 0.00 0.00 0.00 179.25 179.88 3k9f h ARG 360 N 0.91 0.34 -0.02 0.00 2.43 -0.73 -0.01 114.38 117.30 3k9f h ARG 360 Ca 0.19 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3k9f h ARG 360 Cb 0.39 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3k9f h ARG 360 CO 0.01 0.22 -0.00 0.77 -1.51 0.00 0.00 179.97 179.46 3k9f h SER 361 N 0.35 0.03 -0.89 -3.80 0.02 -0.87 -0.55 113.55 107.84 3k9f h SER 361 Ca 0.25 -0.33 0.18 0.00 -0.84 0.00 0.00 61.79 61.05 3k9f h SER 361 Cb 0.28 -0.01 -0.11 0.00 0.14 0.00 0.00 62.40 62.71 3k9f h SER 361 CO -0.26 0.36 0.45 0.03 -1.14 0.00 0.00 176.83 176.26 3k9f h ARG 362 N -0.29 0.54 0.20 3.45 3.08 -0.85 0.24 114.38 120.76 3k9f h ARG 362 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3k9f h ARG 362 Cb 0.34 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3k9f h ARG 362 CO 0.00 0.36 -0.10 0.35 -1.07 0.00 0.00 179.97 179.51 3k9f h PHE 363 N 0.56 -0.25 -0.64 3.04 3.57 -0.70 -2.33 116.94 120.19 3k9f h PHE 363 Ca 0.52 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.98 3k9f h PHE 363 Cb 0.86 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 3k9f h PHE 363 CO -0.09 -0.02 0.25 -0.44 -2.23 0.00 0.00 178.31 175.78 3k9f h ASP 364 N -0.45 0.86 0.60 0.41 3.32 -0.30 -1.97 116.42 118.89 3k9f h ASP 364 Ca -0.03 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3k9f h ASP 364 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3k9f h ASP 364 CO 0.05 0.77 -0.46 0.50 -1.72 0.00 0.00 179.24 178.37 3k9f h LYS 365 N 0.92 -0.99 -0.52 3.56 3.64 -0.55 -1.77 116.57 120.86 3k9f h LYS 365 Ca 0.22 0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 3k9f h LYS 365 Cb 0.18 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 3k9f h LYS 365 CO -0.02 -0.66 -0.08 0.93 -2.27 0.00 0.00 179.45 177.35 3k9f h GLU 366 N -1.03 0.04 -0.76 1.90 5.08 -1.22 0.13 114.58 118.72 3k9f h GLU 366 Ca -0.07 -0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.38 3k9f h GLU 366 Cb 0.86 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.03 3k9f h GLU 366 CO 0.01 0.03 0.41 -0.22 -1.00 0.00 0.00 179.01 178.25 3k9f h LYS 367 N 0.04 0.68 0.07 2.33 3.64 -1.31 -0.74 116.57 121.29 3k9f h LYS 367 Ca 0.26 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3k9f h LYS 367 Cb 0.39 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3k9f h LYS 367 CO -0.50 0.45 -0.03 0.00 -2.27 0.00 0.00 179.45 177.10 3k9f h ALA 368 N 1.44 -0.09 -0.64 5.00 0.00 -0.01 -2.03 119.26 122.92 3k9f h ALA 368 Ca 0.37 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3k9f h ALA 368 Cb 0.36 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3k9f h ALA 368 CO -0.25 -0.36 0.42 0.93 0.00 0.00 0.00 179.25 179.99 3k9f h GLU 369 N -0.48 0.67 -0.00 0.00 5.08 -0.63 0.20 114.58 119.41 3k9f h GLU 369 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3k9f h GLU 369 Cb 0.42 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3k9f h GLU 369 CO 0.02 0.44 0.00 -0.22 -1.00 0.00 0.00 179.01 178.25 3k9f h LYS 370 N 0.69 0.00 -0.49 2.33 3.64 -1.07 -0.17 116.57 121.50 3k9f h LYS 370 Ca 0.27 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3k9f h LYS 370 Cb 0.19 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3k9f h LYS 370 CO -0.08 0.12 0.19 -0.09 -2.27 0.00 0.00 179.45 177.32 3k9f h ARG 371 N -0.12 0.70 0.05 1.90 9.65 -0.70 -2.22 114.38 123.64 3k9f h ARG 371 Ca 0.00 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3k9f h ARG 371 Cb 0.12 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3k9f h ARG 371 CO -0.00 0.59 -0.02 1.25 2.80 0.00 0.00 179.97 184.59 3k9f h LEU 372 N 0.70 -0.06 -0.95 3.80 6.46 -0.48 -0.23 115.31 124.55 3k9f h LEU 372 Ca 0.17 -0.11 0.09 0.00 -0.12 0.00 0.00 57.88 57.91 3k9f h LEU 372 Cb 0.15 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 3k9f h LEU 372 CO -0.01 0.07 0.59 -0.74 -0.62 0.00 0.00 178.44 177.73 3k9f h HIS 373 N -0.18 1.08 -0.24 1.25 2.76 -0.74 0.32 115.15 119.41 3k9f h HIS 373 Ca -0.01 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 3k9f h HIS 373 Cb 0.16 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3k9f h HIS 373 CO -0.04 0.48 -0.10 0.82 -1.30 0.00 0.00 177.93 177.80 3k9f h ILE 374 N 1.00 1.30 -0.71 6.26 2.04 -1.19 -2.58 117.51 123.63 3k9f h ILE 374 Ca 0.44 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3k9f h ILE 374 Cb 0.33 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3k9f h ILE 374 CO -0.22 0.36 0.29 0.58 0.00 0.00 0.00 178.15 179.16 3k9f h VAL 375 N 0.20 1.24 -0.54 1.67 2.07 0.61 -0.32 116.25 121.19 3k9f h VAL 375 Ca 0.05 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3k9f h VAL 375 Cb 0.59 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3k9f h VAL 375 CO 0.03 0.30 0.34 -0.33 0.02 0.00 0.00 177.57 177.93 3k9f h GLU 376 N 1.02 0.73 -0.28 1.57 5.08 -0.42 -1.08 114.58 121.20 3k9f h GLU 376 Ca 0.24 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 3k9f h GLU 376 Cb 0.18 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3k9f h GLU 376 CO -0.02 0.51 -0.07 0.78 -1.00 0.00 0.00 179.01 179.21 3k9f h GLY 377 N 0.73 0.21 1.25 -3.84 0.00 -0.86 -2.11 103.07 98.45 3k9f h GLY 377 Ca 0.19 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.64 3k9f h GLY 377 CO -0.04 -0.11 0.45 1.41 0.00 0.00 0.00 176.54 178.26 3k9f h LEU 378 N 0.00 0.73 -0.19 3.11 3.38 -0.69 -0.75 115.31 120.90 3k9f h LEU 378 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3k9f h LEU 378 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3k9f h LEU 378 CO -0.29 0.51 0.11 0.40 0.09 0.00 0.00 178.44 179.27 3k9f h ILE 379 N 0.85 1.09 -0.26 1.22 2.04 -0.54 -2.68 117.51 119.24 3k9f h ILE 379 Ca 0.26 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3k9f h ILE 379 Cb 0.01 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3k9f h ILE 379 CO -0.07 0.09 0.17 0.03 0.00 0.00 0.00 178.15 178.37 3k9f h ARG 380 N 0.22 0.34 -0.86 2.37 3.08 -0.98 -2.98 114.38 115.56 3k9f h ARG 380 Ca 0.07 -0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.31 3k9f h ARG 380 Cb 0.04 -0.08 -0.13 0.00 0.08 0.00 0.00 29.97 29.89 3k9f h ARG 380 CO -0.01 0.23 0.31 0.28 -1.07 0.00 0.00 179.97 179.70 3k9f h VAL 381 N 0.34 0.44 -0.97 2.04 2.07 -0.90 -1.01 116.25 118.26 3k9f h VAL 381 Ca 0.09 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.56 3k9f h VAL 381 Cb -0.04 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.76 3k9f h VAL 381 CO -0.02 0.06 0.62 0.40 0.02 0.00 0.00 177.57 178.65 3k9f h ILE 382 N 0.32 1.10 0.00 4.57 2.04 -1.32 -0.53 117.51 123.70 3k9f h ILE 382 Ca 0.53 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3k9f h ILE 382 Cb 1.00 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3k9f h ILE 382 CO -0.56 0.21 0.00 0.77 0.00 0.00 0.00 178.15 178.57 3k9f h SER 383 N 1.15 0.00 0.00 1.72 4.64 -1.28 -3.04 113.55 116.74 3k9f h SER 383 Ca 0.41 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 3k9f h SER 383 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 3k9f h SER 383 CO -0.16 0.00 -0.40 2.30 -0.87 0.00 0.00 176.83 177.69 3k9f n ILE 384 N -2.89 0.91 -0.14 0.95 -5.35 -0.69 -4.92 119.36 107.23 3k9f n ILE 384 Ca -0.01 -1.30 -0.04 0.00 -0.27 0.00 0.00 62.75 61.13 3k9f n ILE 384 Cb 0.18 0.23 0.02 0.00 -1.74 0.00 0.00 39.64 38.33 3k9f n ILE 384 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3k9f h LEU 385 N 0.26 -0.61 -0.50 7.28 6.46 -1.01 -0.41 115.31 126.78 3k9f h LEU 385 Ca -0.03 0.16 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 3k9f h LEU 385 Cb 1.29 0.35 -0.06 0.00 -0.73 0.00 0.00 40.66 41.50 3k9f h LEU 385 CO 0.01 -0.21 0.15 0.44 -0.62 0.00 0.00 178.44 178.22 3k9f h ASP 386 N -0.08 0.12 -0.52 1.25 3.32 -1.87 0.24 116.42 118.88 3k9f h ASP 386 Ca 0.21 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 3k9f h ASP 386 Cb 0.41 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3k9f h ASP 386 CO -0.50 0.10 0.20 -0.33 -1.72 0.00 0.00 179.24 176.99 3k9f h GLU 387 N 0.32 0.78 -0.46 3.56 3.07 -1.74 -1.34 114.58 118.77 3k9f h GLU 387 Ca 0.25 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 3k9f h GLU 387 Cb 0.29 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3k9f h GLU 387 CO -0.27 0.69 0.04 0.28 -1.40 0.00 0.00 179.01 178.35 3k9f h VAL 388 N 0.70 1.25 -0.59 3.13 2.07 -0.09 0.15 116.25 122.88 3k9f h VAL 388 Ca 0.17 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3k9f h VAL 388 Cb 0.21 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3k9f h VAL 388 CO -0.01 0.34 0.36 0.40 0.02 0.00 0.00 177.57 178.68 3k9f h ILE 389 N 0.65 1.17 -0.11 4.57 2.04 -0.48 -1.23 117.51 124.12 3k9f h ILE 389 Ca 0.14 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3k9f h ILE 389 Cb 0.44 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3k9f h ILE 389 CO 0.02 0.17 0.07 0.00 0.00 0.00 0.00 178.15 178.41 3k9f h ALA 390 N 1.18 0.14 -0.67 1.87 0.00 -0.83 -0.76 119.26 120.19 3k9f h ALA 390 Ca 0.21 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3k9f h ALA 390 Cb -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3k9f h ALA 390 CO -0.04 -0.34 0.39 1.25 0.00 0.00 0.00 179.25 180.51 3k9f h LEU 391 N 0.12 0.61 -0.24 0.00 6.46 -0.47 -0.07 115.31 121.71 3k9f h LEU 391 Ca 0.04 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3k9f h LEU 391 Cb 0.03 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 3k9f h LEU 391 CO -0.01 0.41 0.16 0.40 -0.62 0.00 0.00 178.44 178.78 3k9f h ILE 392 N 0.74 1.07 -0.66 4.05 2.04 -0.81 -2.06 117.51 121.88 3k9f h ILE 392 Ca 0.28 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 66.06 3k9f h ILE 392 Cb 0.11 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 3k9f h ILE 392 CO -0.15 0.07 0.44 0.03 0.00 0.00 0.00 178.15 178.54 3k9f h ARG 393 N 0.32 0.70 0.00 2.37 3.08 -0.53 -1.96 114.38 118.36 3k9f h ARG 393 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3k9f h ARG 393 Cb -0.03 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3k9f h ARG 393 CO -0.02 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.34 3k9f h ALA 394 N 1.63 1.00 -3.21 0.04 0.00 -0.51 -3.46 119.26 114.75 3k9f h ALA 394 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3k9f h ALA 394 Cb 0.19 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.04 3k9f h ALA 394 CO -0.08 0.00 0.09 0.43 0.00 0.00 0.00 179.25 179.68 3k9f n SER 395 N -3.01 -0.64 -0.02 0.00 7.64 -0.74 -5.02 113.62 111.83 3k9f n SER 395 Ca 0.02 -0.94 0.03 0.00 1.01 0.00 0.00 58.87 58.98 3k9f n SER 395 Cb 0.35 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 3k9f n SER 395 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3k9f n GLU 396 N -2.24 0.86 -2.95 1.43 0.00 -1.26 -4.99 120.64 111.49 3k9f n GLU 396 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.13 3k9f n GLU 396 Cb 0.19 -1.30 0.01 0.00 0.00 0.00 0.00 31.44 30.34 3k9f n GLU 396 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3k9f n ASN 397 N -2.07 -0.77 0.23 -1.84 0.23 -1.26 -4.99 115.26 104.79 3k9f n ASN 397 Ca -0.07 -1.27 -0.16 0.00 -0.53 0.00 0.00 54.58 52.55 3k9f n ASN 397 Cb 0.48 1.21 -0.08 0.00 -2.08 0.00 0.00 39.78 39.31 3k9f n ASN 397 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3k9f h LYS 398 N 0.00 -0.79 -0.38 -3.83 3.64 -1.98 -1.59 116.57 111.63 3k9f h LYS 398 Ca -0.13 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3k9f h LYS 398 Cb 0.65 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 3k9f h LYS 398 CO 0.18 -0.53 0.01 0.00 -2.27 0.00 0.00 179.45 176.84 3k9f h ALA 399 N -0.46 0.36 -0.68 5.00 0.00 -1.99 -1.07 119.26 120.42 3k9f h ALA 399 Ca -0.03 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3k9f h ALA 399 Cb 0.74 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3k9f h ALA 399 CO -0.09 -0.39 0.41 0.22 0.00 0.00 0.00 179.25 179.41 3k9f h ASP 400 N 0.11 0.66 -0.36 0.00 -0.00 -1.92 -1.89 116.42 113.02 3k9f h ASP 400 Ca 0.19 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 3k9f h ASP 400 Cb 0.26 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.44 3k9f h ASP 400 CO -0.31 0.45 0.23 0.00 -0.00 0.00 0.00 179.24 179.61 3k9f h ALA 401 N 1.31 0.46 -0.45 -0.78 0.00 -0.52 -1.04 119.26 118.23 3k9f h ALA 401 Ca 0.28 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.24 3k9f h ALA 401 Cb 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3k9f h ALA 401 CO -0.13 -0.07 -0.01 0.87 0.00 0.00 0.00 179.25 179.91 3k9f h LYS 402 N 0.48 0.10 -0.50 0.00 1.57 -1.00 -1.38 116.57 115.84 3k9f h LYS 402 Ca 0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3k9f h LYS 402 Cb -0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3k9f h LYS 402 CO -0.03 0.07 0.31 1.49 -0.57 0.00 0.00 179.45 180.72 3k9f h GLU 403 N 0.10 0.67 -0.92 3.15 4.57 -0.99 -1.98 114.58 119.19 3k9f h GLU 403 Ca 0.23 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3k9f h GLU 403 Cb 0.33 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 3k9f h GLU 403 CO -0.38 0.48 0.59 -0.91 -1.18 0.00 0.00 179.01 177.61 3k9f h ASN 404 N 0.67 1.08 -0.85 1.04 2.35 -0.59 -0.81 115.58 118.47 3k9f h ASN 404 Ca 0.18 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3k9f h ASN 404 Cb -0.03 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.04 3k9f h ASN 404 CO -0.04 0.80 0.42 -0.07 -1.65 0.00 0.00 177.43 176.89 3k9f h LEU 405 N 1.26 1.10 0.76 1.61 3.38 -0.98 0.11 115.31 122.55 3k9f h LEU 405 Ca 0.34 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3k9f h LEU 405 Cb -0.12 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.36 3k9f h LEU 405 CO -0.07 0.92 -0.36 0.11 0.09 0.00 0.00 178.44 179.12 3k9f h LYS 406 N 1.20 -0.98 0.05 1.13 1.57 -0.88 -0.49 116.57 118.17 3k9f h LYS 406 Ca 0.29 0.07 0.02 0.00 -1.87 0.00 0.00 60.65 59.15 3k9f h LYS 406 Cb 0.10 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3k9f h LYS 406 CO -0.04 -0.65 -0.14 0.28 -0.57 0.00 0.00 179.45 178.33 3k9f h VAL 407 N -1.26 0.67 0.17 0.50 2.07 -1.20 0.68 116.25 117.88 3k9f h VAL 407 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3k9f h VAL 407 Cb 0.78 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3k9f h VAL 407 CO 0.17 0.00 -0.08 0.28 0.02 0.00 0.00 177.57 177.96 3k9f h SER 408 N -0.26 -0.20 -0.37 0.57 0.02 -1.08 -3.37 113.55 108.87 3k9f h SER 408 Ca 0.03 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3k9f h SER 408 Cb 0.29 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3k9f h SER 408 CO -0.10 0.25 0.00 -1.22 -1.14 0.00 0.00 176.83 174.62 3k9f n TYR 409 N -4.99 0.49 -1.59 3.45 4.01 -0.22 -5.00 117.16 113.30 3k9f n TYR 409 Ca -0.09 -0.41 -0.19 0.00 -0.16 0.00 0.00 57.90 57.05 3k9f n TYR 409 Cb 0.26 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 3k9f n TYR 409 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3k9f n ASP 410 N 0.79 -5.33 -4.73 7.72 5.68 0.24 -4.94 116.55 115.98 3k9f n ASP 410 Ca 0.14 0.46 -0.33 0.00 -0.50 0.00 0.00 54.79 54.55 3k9f n ASP 410 Cb 0.45 -4.52 0.09 0.00 -1.14 0.00 0.00 41.12 36.00 3k9f n ASP 410 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3k9f s PHE 411 N -2.72 2.18 0.79 2.11 0.08 -1.20 -4.96 117.98 114.25 3k9f s PHE 411 Ca 0.00 1.61 -0.07 0.00 0.12 0.00 0.00 56.93 58.59 3k9f s PHE 411 Cb 0.00 -3.35 0.13 0.00 -0.57 0.00 0.00 43.02 39.24 3k9f s PHE 411 CO 0.00 -2.34 1.10 0.95 -0.10 0.00 0.00 175.22 174.83 3k9f s THR 412 N -2.23 2.14 0.09 0.64 -4.23 -1.26 -4.33 115.64 106.46 3k9f s THR 412 Ca 0.70 -0.31 -0.20 0.00 -1.18 0.00 0.00 61.69 60.71 3k9f s THR 412 Cb -0.25 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.68 3k9f s THR 412 CO 0.47 0.00 1.60 -0.08 -0.54 0.00 0.00 174.62 176.07 3k9f h GLU 413 N -0.90 0.34 -0.83 3.99 4.57 -1.96 0.29 114.58 120.08 3k9f h GLU 413 Ca -0.41 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 3k9f h GLU 413 Cb 1.27 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.77 3k9f h GLU 413 CO 0.45 0.43 0.38 1.05 -1.18 0.00 0.00 179.01 180.15 3k9f h GLU 414 N 0.19 1.20 -0.56 1.92 9.09 -1.99 -0.35 114.58 124.07 3k9f h GLU 414 Ca 0.07 -0.18 -0.03 0.00 0.05 0.00 0.00 59.36 59.27 3k9f h GLU 414 Cb 0.23 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 27.09 3k9f h GLU 414 CO -0.00 0.93 0.22 1.96 0.05 0.00 0.00 179.01 182.16 3k9f h GLN 415 N 1.18 0.84 -0.55 1.06 4.20 -1.79 -2.52 115.11 117.53 3k9f h GLN 415 Ca 0.28 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3k9f h GLN 415 Cb 0.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3k9f h GLN 415 CO -0.03 0.73 -0.04 0.00 -0.67 0.00 0.00 178.83 178.82 3k9f h ALA 416 N 1.07 0.74 -0.57 3.87 0.00 0.19 -2.16 119.26 122.41 3k9f h ALA 416 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3k9f h ALA 416 Cb 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3k9f h ALA 416 CO -0.01 0.60 0.32 1.49 0.00 0.00 0.00 179.25 181.64 3k9f h GLU 417 N 0.87 0.79 -0.40 0.00 4.57 -1.08 -0.51 114.58 118.82 3k9f h GLU 417 Ca 0.15 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 3k9f h GLU 417 Cb 0.59 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3k9f h GLU 417 CO 0.04 0.60 0.06 0.00 -1.18 0.00 0.00 179.01 178.53 3k9f h ALA 418 N 1.14 0.53 0.37 2.92 0.00 -1.30 -2.33 119.26 120.60 3k9f h ALA 418 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k9f h ALA 418 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3k9f h ALA 418 CO -0.03 0.25 -0.22 0.82 0.00 0.00 0.00 179.25 180.07 3k9f h ILE 419 N 0.52 0.53 0.00 0.00 2.04 -1.16 -3.05 117.51 116.39 3k9f h ILE 419 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3k9f h ILE 419 Cb 0.38 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 3k9f h ILE 419 CO 0.01 0.00 -0.09 0.58 0.00 0.00 0.00 178.15 178.65 3k9f h VAL 420 N -0.57 1.03 -0.01 1.67 2.07 -1.11 -2.11 116.25 117.21 3k9f h VAL 420 Ca -0.04 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3k9f h VAL 420 Cb 0.47 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3k9f h VAL 420 CO 0.05 0.09 -0.05 0.35 0.02 0.00 0.00 177.57 178.03 3k9f n THR 421 N -4.38 0.00 -1.71 2.57 -2.24 -0.88 -4.94 114.28 102.70 3k9f n THR 421 Ca -0.03 -0.16 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 3k9f n THR 421 Cb 0.17 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 3k9f n THR 421 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k9f n LEU 422 N -0.29 3.95 -4.94 3.22 4.77 -0.80 -4.99 117.00 117.93 3k9f n LEU 422 Ca 0.18 1.16 -0.25 0.00 -0.03 0.00 0.00 56.01 57.08 3k9f n LEU 422 Cb 0.30 -1.51 0.06 0.00 -2.33 0.00 0.00 43.42 39.94 3k9f n LEU 422 CO 0.19 -0.48 0.57 -1.10 -1.33 0.00 0.00 177.39 175.24 3k9f s GLN 423 N -2.07 2.31 0.17 3.23 -0.21 -1.26 -4.99 119.66 116.84 3k9f s GLN 423 Ca 0.58 -0.33 -0.10 0.00 0.02 0.00 0.00 55.36 55.53 3k9f s GLN 423 Cb -0.53 -2.23 0.04 0.00 1.00 0.00 0.00 33.01 31.29 3k9f s GLN 423 CO 0.60 -1.11 1.60 -0.07 -2.12 0.00 0.00 175.29 174.19 3k9f h LEU 424 N -0.45 1.05 -2.37 2.90 3.38 -2.01 -2.08 115.31 115.73 3k9f h LEU 424 Ca -0.44 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.18 3k9f h LEU 424 Cb 1.31 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3k9f h LEU 424 CO 0.59 1.15 -0.01 0.10 0.09 0.00 0.00 178.44 180.36 3k9f h TYR 425 N 0.93 0.00 -0.48 1.13 -0.00 -2.03 -0.27 116.97 116.25 3k9f h TYR 425 Ca 0.14 0.00 0.14 0.00 -0.00 0.00 0.00 58.73 59.01 3k9f h TYR 425 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.38 3k9f h TYR 425 CO 0.05 0.01 0.35 0.00 -0.00 0.00 0.00 178.16 178.56 3k9f h ARG 426 N 0.00 0.00 0.00 0.10 2.47 -1.76 0.38 114.38 115.57 3k9f h ARG 426 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3k9f h ARG 426 Cb 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3k9f h ARG 426 CO 0.00 0.00 -0.02 -0.07 0.56 0.00 0.00 179.97 180.44 3k9f h LEU 427 N 0.00 0.00 -2.09 3.04 3.38 -1.19 -1.73 115.31 116.72 3k9f h LEU 427 Ca 0.23 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.25 3k9f h LEU 427 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 3k9f h LEU 427 CO -0.00 0.02 0.33 0.00 0.09 0.00 0.00 178.44 178.87 3k9f h THR 428 N 0.00 0.22 -3.60 0.22 1.03 -0.37 -3.37 112.91 107.04 3k9f h THR 428 Ca -0.00 0.00 -0.61 0.00 -0.01 0.00 0.00 66.41 65.79 3k9f h THR 428 Cb 0.32 0.71 -0.38 0.00 -1.07 0.00 0.00 68.15 67.73 3k9f h THR 428 CO 0.00 0.00 -0.79 0.21 -0.01 0.00 0.00 175.52 174.93 3k9f s ASN 429 N -5.03 3.76 -0.30 0.00 3.84 -0.65 -5.00 114.94 111.55 3k9f s ASN 429 Ca -0.04 -1.12 0.07 0.00 0.21 0.00 0.00 52.86 51.97 3k9f s ASN 429 Cb 0.13 -1.17 0.46 0.00 -0.55 0.00 0.00 41.25 40.11 3k9f s ASN 429 CO 0.43 -0.22 1.22 0.41 -2.79 0.00 0.00 177.10 176.15 3k9f n THR 430 N 4.68 2.56 -2.57 -5.21 -1.04 -1.26 -5.00 114.28 106.45 3k9f n THR 430 Ca -0.12 -4.15 -0.41 0.00 -2.04 0.00 0.00 64.05 57.32 3k9f n THR 430 Cb 0.44 -1.12 -0.03 0.00 -1.82 0.00 0.00 70.33 67.80 3k9f n THR 430 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3k9f s ASP 431 N -3.53 6.37 0.44 8.00 3.68 -1.26 -4.90 116.67 125.47 3k9f s ASP 431 Ca 0.51 -1.07 0.29 0.00 2.13 0.00 0.00 52.55 54.42 3k9f s ASP 431 Cb 0.41 -2.56 1.40 0.00 -1.45 0.00 0.00 42.92 40.73 3k9f s ASP 431 CO 0.04 -1.63 1.64 0.58 0.13 0.00 0.00 175.17 175.92 3k9f h VAL 432 N 6.48 0.16 0.21 1.11 2.07 -1.94 -3.20 116.25 121.14 3k9f h VAL 432 Ca 0.01 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3k9f h VAL 432 Cb 1.03 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3k9f h VAL 432 CO 1.36 0.02 -0.10 0.58 0.02 0.00 0.00 177.57 179.45 3k9f h VAL 433 N 0.11 0.87 -0.87 2.57 2.07 -1.99 -1.41 116.25 117.60 3k9f h VAL 433 Ca 0.80 -0.48 0.18 0.00 0.82 0.00 0.00 66.70 68.02 3k9f h VAL 433 Cb 2.50 1.15 -0.11 0.00 -1.52 0.00 0.00 31.29 33.31 3k9f h VAL 433 CO -0.39 0.11 0.41 0.58 0.02 0.00 0.00 177.57 178.30 3k9f h VAL 434 N -0.53 0.62 0.27 2.57 2.07 -1.99 -0.91 116.25 118.35 3k9f h VAL 434 Ca -0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3k9f h VAL 434 Cb 0.39 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3k9f h VAL 434 CO 0.05 0.10 -0.13 -0.07 0.02 0.00 0.00 177.57 177.54 3k9f h LEU 435 N 0.52 -0.30 -1.56 2.57 3.38 -1.54 -2.79 115.31 115.59 3k9f h LEU 435 Ca 0.50 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.49 3k9f h LEU 435 Cb 0.83 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 3k9f h LEU 435 CO -0.43 -0.07 0.48 1.56 0.09 0.00 0.00 178.44 180.07 3k9f h GLN 436 N -0.54 0.45 0.03 1.13 4.20 -0.76 0.16 115.11 119.78 3k9f h GLN 436 Ca -0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3k9f h GLN 436 Cb 0.40 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3k9f h GLN 436 CO 0.06 0.30 -0.01 0.93 -0.67 0.00 0.00 178.83 179.43 3k9f h GLU 437 N 0.46 -0.04 -0.73 1.46 5.08 -1.08 -0.75 114.58 118.99 3k9f h GLU 437 Ca 0.34 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.79 3k9f h GLU 437 Cb 0.70 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 3k9f h GLU 437 CO -0.11 0.11 0.39 1.49 -1.00 0.00 0.00 179.01 179.89 3k9f h GLU 438 N -0.18 0.64 0.14 2.33 4.81 -0.94 -0.94 114.58 120.44 3k9f h GLU 438 Ca -0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3k9f h GLU 438 Cb 0.17 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3k9f h GLU 438 CO 0.01 0.43 -0.39 1.49 -0.73 0.00 0.00 179.01 179.81 3k9f h GLU 439 N 0.66 -0.62 -0.68 1.92 4.81 -0.41 -0.14 114.58 120.13 3k9f h GLU 439 Ca 0.35 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.67 3k9f h GLU 439 Cb 0.33 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 3k9f h GLU 439 CO -0.25 -0.41 0.40 0.00 -0.73 0.00 0.00 179.01 178.02 3k9f h ALA 440 N -0.12 0.91 -0.68 2.92 0.00 -0.48 -0.02 119.26 121.79 3k9f h ALA 440 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3k9f h ALA 440 Cb 0.66 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 3k9f h ALA 440 CO -0.22 0.11 0.35 1.49 0.00 0.00 0.00 179.25 180.98 3k9f h GLU 441 N 0.75 0.60 -0.08 0.00 4.81 -0.79 -2.25 114.58 117.62 3k9f h GLU 441 Ca 0.29 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3k9f h GLU 441 Cb 0.13 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 3k9f h GLU 441 CO -0.15 0.40 0.03 -0.07 -0.73 0.00 0.00 179.01 178.48 3k9f h LEU 442 N 0.62 0.12 -1.72 1.64 3.38 0.74 -1.77 115.31 118.32 3k9f h LEU 442 Ca 0.32 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3k9f h LEU 442 Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3k9f h LEU 442 CO -0.23 0.30 0.30 -0.09 0.09 0.00 0.00 178.44 178.81 3k9f h ARG 443 N -0.06 0.33 -0.14 1.13 2.43 -0.94 0.59 114.38 117.72 3k9f h ARG 443 Ca 0.03 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 3k9f h ARG 443 Cb 0.22 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3k9f h ARG 443 CO -0.00 0.22 -0.77 0.93 -1.51 0.00 0.00 179.97 178.84 3k9f h GLU 444 N 0.34 0.72 -0.46 0.20 5.08 -1.19 -2.45 114.58 116.82 3k9f h GLU 444 Ca 0.20 -0.59 0.04 0.00 -1.00 0.00 0.00 59.36 58.01 3k9f h GLU 444 Cb 0.35 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3k9f h GLU 444 CO -0.05 1.20 0.24 0.87 -1.00 0.00 0.00 179.01 180.27 3k9f h LYS 445 N 0.49 0.46 0.24 2.33 1.57 -0.07 -2.52 116.57 119.07 3k9f h LYS 445 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3k9f h LYS 445 Cb 1.38 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 3k9f h LYS 445 CO 0.15 0.30 -0.13 0.82 -0.57 0.00 0.00 179.45 180.03 3k9f h ILE 446 N 0.47 0.73 -0.54 1.86 2.04 -1.03 -1.03 117.51 120.01 3k9f h ILE 446 Ca 0.20 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.16 3k9f h ILE 446 Cb 0.09 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3k9f h ILE 446 CO -0.13 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.11 3k9f h ALA 447 N 0.40 0.60 -0.64 1.87 0.00 -1.40 0.19 119.26 120.28 3k9f h ALA 447 Ca -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3k9f h ALA 447 Cb 0.28 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3k9f h ALA 447 CO 0.04 -0.32 0.30 1.98 0.00 0.00 0.00 179.25 181.25 3k9f h MET 448 N 0.22 0.93 -0.26 0.00 1.85 -1.32 -0.65 114.93 115.70 3k9f h MET 448 Ca 0.28 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 59.21 3k9f h MET 448 Cb 0.40 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3k9f h MET 448 CO -0.37 0.75 0.12 -0.07 -0.40 0.00 0.00 176.91 176.93 3k9f h LEU 449 N 0.88 0.35 -1.77 3.39 3.38 -0.66 -1.93 115.31 118.96 3k9f h LEU 449 Ca 0.22 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.15 3k9f h LEU 449 Cb 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3k9f h LEU 449 CO -0.03 0.40 0.37 0.00 0.09 0.00 0.00 178.44 179.27 3k9f h ALA 450 N 0.97 2.16 -0.04 1.53 0.00 -0.33 -0.14 119.26 123.40 3k9f h ALA 450 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3k9f h ALA 450 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3k9f h ALA 450 CO -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 179.25 178.92 3k9f h ALA 451 N 1.73 0.05 -0.91 0.00 0.00 -0.79 -2.37 119.26 116.98 3k9f h ALA 451 Ca 0.25 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3k9f h ALA 451 Cb 0.65 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3k9f h ALA 451 CO -0.05 -0.18 0.60 0.82 0.00 0.00 0.00 179.25 180.44 3k9f h ILE 452 N -0.35 1.22 -0.02 0.00 2.04 -0.55 -2.60 117.51 117.26 3k9f h ILE 452 Ca 0.01 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3k9f h ILE 452 Cb 0.51 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3k9f h ILE 452 CO 0.01 0.22 -0.01 0.40 0.00 0.00 0.00 178.15 178.77 3k9f h ILE 453 N 1.22 1.33 -0.51 -0.67 2.04 -1.05 -3.33 117.51 116.54 3k9f h ILE 453 Ca 0.34 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3k9f h ILE 453 Cb -0.13 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3k9f h ILE 453 CO -0.08 0.27 0.00 0.61 0.00 0.00 0.00 178.15 178.95 3k9f n GLY 454 N 0.04 2.11 2.49 5.37 0.00 -0.90 -4.68 105.19 109.62 3k9f n GLY 454 Ca -0.08 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 3k9f n GLY 454 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k9f s ASP 455 N -0.82 2.12 0.20 1.61 1.47 -0.98 -5.00 116.67 115.27 3k9f s ASP 455 Ca 0.40 -3.18 0.04 0.00 1.18 0.00 0.00 52.55 50.98 3k9f s ASP 455 Cb 0.25 -0.66 0.57 0.00 -0.34 0.00 0.00 42.92 42.74 3k9f s ASP 455 CO 0.20 -0.16 0.99 1.21 0.68 0.00 0.00 175.17 178.09 3k9f n GLU 456 N 2.72 -0.05 0.37 2.11 4.07 -1.26 -1.33 120.64 127.28 3k9f n GLU 456 Ca 0.27 0.93 -0.18 0.00 -0.06 0.00 0.00 57.16 58.13 3k9f n GLU 456 Cb 0.45 -1.52 -0.09 0.00 -0.06 0.00 0.00 31.44 30.22 3k9f n GLU 456 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k9f h ARG 457 N 0.00 -0.88 -0.95 5.31 -0.00 -1.94 0.34 114.38 116.26 3k9f h ARG 457 Ca 0.42 0.06 0.06 0.00 -0.50 0.00 0.00 59.98 60.02 3k9f h ARG 457 Cb 0.93 0.20 -0.06 0.00 0.00 0.00 0.00 29.97 31.04 3k9f h ARG 457 CO -0.57 -0.58 0.62 1.79 0.00 0.00 0.00 179.97 181.23 3k9f h THR 458 N -0.95 1.09 0.35 2.04 1.35 -1.53 0.10 112.91 115.35 3k9f h THR 458 Ca -0.09 -0.38 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3k9f h THR 458 Cb 0.71 -0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 3k9f h THR 458 CO 0.15 0.20 -0.43 -0.03 -0.25 0.00 0.00 175.52 175.17 3k9f h MET 459 N 1.11 -0.78 -0.35 4.72 -1.53 -1.06 -0.61 114.93 116.43 3k9f h MET 459 Ca 0.41 0.05 0.04 0.00 -3.44 0.00 0.00 59.70 56.76 3k9f h MET 459 Cb 0.16 0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.37 3k9f h MET 459 CO -0.15 -0.52 0.24 1.88 0.14 0.00 0.00 176.91 178.49 3k9f h TYR 460 N -0.81 0.32 -0.69 1.39 0.05 -0.38 -0.36 116.97 116.49 3k9f h TYR 460 Ca -0.02 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 3k9f h TYR 460 Cb 0.75 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 3k9f h TYR 460 CO -0.27 0.18 0.32 -0.91 -1.05 0.00 0.00 178.16 176.44 3k9f h ASN 461 N 0.33 0.91 -0.09 3.88 2.35 -0.46 -2.23 115.58 120.27 3k9f h ASN 461 Ca 0.15 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3k9f h ASN 461 Cb 0.18 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3k9f h ASN 461 CO -0.03 0.79 0.04 0.25 -1.65 0.00 0.00 177.43 176.83 3k9f h LEU 462 N 0.96 0.06 -0.70 1.61 6.46 0.49 -0.63 115.31 123.57 3k9f h LEU 462 Ca 0.24 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 58.15 3k9f h LEU 462 Cb 0.13 -0.01 -0.12 0.00 -0.73 0.00 0.00 40.66 39.93 3k9f h LEU 462 CO -0.03 0.05 -0.03 0.24 -0.62 0.00 0.00 178.44 178.05 3k9f h MET 463 N 0.09 0.08 0.11 1.25 2.86 -1.20 -0.06 114.93 118.06 3k9f h MET 463 Ca 0.04 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3k9f h MET 463 Cb 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3k9f h MET 463 CO -0.03 0.05 -0.05 0.87 1.06 0.00 0.00 176.91 178.82 3k9f h LYS 464 N 0.08 -0.14 -0.11 1.72 6.56 -1.02 0.44 116.57 124.10 3k9f h LYS 464 Ca 0.37 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 60.01 3k9f h LYS 464 Cb 0.62 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.25 3k9f h LYS 464 CO -0.63 0.06 -0.28 1.57 -2.06 0.00 0.00 179.45 178.11 3k9f h LYS 465 N -0.33 -0.35 -0.39 3.15 2.10 -0.24 0.65 116.57 121.16 3k9f h LYS 465 Ca -0.01 0.02 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 3k9f h LYS 465 Cb 0.27 0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.64 3k9f h LYS 465 CO 0.02 -0.23 0.14 0.93 -2.00 0.00 0.00 179.45 178.31 3k9f h GLU 466 N -0.37 0.29 -0.79 0.07 5.08 -0.95 -0.92 114.58 116.99 3k9f h GLU 466 Ca 0.09 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 3k9f h GLU 466 Cb 0.51 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3k9f h GLU 466 CO -0.32 0.19 0.48 -0.07 -1.00 0.00 0.00 179.01 178.29 3k9f h LEU 467 N 0.30 0.74 -0.76 1.33 3.38 -0.13 -1.82 115.31 118.35 3k9f h LEU 467 Ca 0.18 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 3k9f h LEU 467 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3k9f h LEU 467 CO -0.18 0.47 -0.14 0.03 0.09 0.00 0.00 178.44 178.71 3k9f h ARG 468 N 0.87 0.79 -0.35 1.13 3.08 -0.07 -1.68 114.38 118.15 3k9f h ARG 468 Ca 0.35 -0.28 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3k9f h ARG 468 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3k9f h ARG 468 CO -0.18 0.89 0.21 0.93 -1.07 0.00 0.00 179.97 180.75 3k9f h GLU 469 N 0.71 0.41 -0.66 0.04 4.39 -0.40 -0.95 114.58 118.11 3k9f h GLU 469 Ca 0.11 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.82 3k9f h GLU 469 Cb 0.64 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 3k9f h GLU 469 CO 0.04 0.27 0.43 0.28 -1.16 0.00 0.00 179.01 178.88 3k9f h VAL 470 N 0.42 1.10 0.48 3.13 2.07 -1.24 -2.13 116.25 120.09 3k9f h VAL 470 Ca 0.14 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3k9f h VAL 470 Cb -0.00 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3k9f h VAL 470 CO -0.06 0.15 -0.26 0.50 0.02 0.00 0.00 177.57 177.92 3k9f h LYS 471 N 0.80 -0.66 -0.14 1.57 3.64 -0.33 -1.98 116.57 119.48 3k9f h LYS 471 Ca 0.26 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 3k9f h LYS 471 Cb 0.04 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3k9f h LYS 471 CO -0.07 -0.44 -0.14 0.87 -2.27 0.00 0.00 179.45 177.41 3k9f h LYS 472 N -0.68 -0.16 -0.45 1.90 1.57 -0.93 0.15 116.57 117.97 3k9f h LYS 472 Ca -0.06 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3k9f h LYS 472 Cb 0.54 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3k9f h LYS 472 CO 0.09 -0.10 0.26 -0.22 -0.57 0.00 0.00 179.45 178.91 3k9f h LYS 473 N -0.16 0.62 -0.02 3.15 3.64 -1.34 -3.31 116.57 119.14 3k9f h LYS 473 Ca 0.09 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3k9f h LYS 473 Cb 0.30 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3k9f h LYS 473 CO -0.24 0.47 -0.09 1.19 -2.27 0.00 0.00 179.45 178.52 3k9f n PHE 474 N -4.72 0.00 -1.71 1.91 3.72 -0.75 -5.03 117.46 110.88 3k9f n PHE 474 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 3k9f n PHE 474 Cb 0.06 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3k9f n PHE 474 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k9f n ALA 475 N 0.67 1.51 -2.56 4.37 0.00 0.03 -4.91 120.51 119.62 3k9f n ALA 475 Ca 0.09 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 3k9f n ALA 475 Cb 0.40 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 3k9f n ALA 475 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k9f s THR 476 N -1.12 0.23 0.77 0.00 -4.23 -1.26 -5.05 115.64 104.98 3k9f s THR 476 Ca 0.56 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 59.61 3k9f s THR 476 Cb -0.54 -0.89 0.05 0.00 1.34 0.00 0.00 72.50 72.47 3k9f s THR 476 CO 0.62 -0.71 1.09 -2.84 -0.54 0.00 0.00 174.62 172.24 3k9f s PRO 477 N -2.61 2.28 0.79 3.99 0.02 -1.26 -4.80 135.00 133.40 3k9f s PRO 477 Ca -0.04 1.20 -0.14 0.00 0.02 0.00 0.00 61.00 62.04 3k9f s PRO 477 Cb -0.02 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 32.67 3k9f s PRO 477 CO -0.05 -1.63 1.20 1.03 -0.33 0.00 0.00 177.00 177.22 3k9f s ARG 478 N -4.82 1.79 -0.01 5.54 0.52 -1.26 -4.97 118.95 115.74 3k9f s ARG 478 Ca 0.62 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 3k9f s ARG 478 Cb -0.18 -1.80 -0.00 0.00 0.52 0.00 0.00 34.95 33.49 3k9f s ARG 478 CO 0.55 -2.09 -0.00 1.28 0.02 0.00 0.00 175.30 175.05 3k9f n LEU 479 N -3.16 2.88 -4.81 2.53 4.77 -1.26 -5.02 117.00 112.94 3k9f n LEU 479 Ca 0.13 -0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 3k9f n LEU 479 Cb 0.51 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 3k9f n LEU 479 CO 0.48 0.49 0.62 -0.44 -1.33 0.00 0.00 177.39 177.21 3k9f s SER 480 N -4.02 7.10 0.16 -1.43 0.01 -1.26 -4.06 113.70 110.21 3k9f s SER 480 Ca -0.01 1.71 0.09 0.00 1.31 0.00 0.00 55.95 59.04 3k9f s SER 480 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3k9f s SER 480 CO 0.01 -0.20 -0.11 -0.94 0.41 0.00 0.00 173.24 172.42 3k9f s SER 481 N -1.92 4.23 -0.13 2.44 1.04 -0.92 -4.96 113.70 113.48 3k9f s SER 481 Ca 0.55 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.44 3k9f s SER 481 Cb -0.14 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 3k9f s SER 481 CO 0.18 0.12 -0.16 -0.76 0.98 0.00 0.00 173.24 173.60 3k9f s LEU 482 N -2.68 2.53 0.00 2.42 1.43 -1.26 -0.97 118.68 120.14 3k9f s LEU 482 Ca 0.24 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3k9f s LEU 482 Cb -0.09 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3k9f s LEU 482 CO 0.14 0.15 0.20 -0.62 0.23 0.00 0.00 176.35 176.45