#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wyi s ALA 2 N 0.00 3.52 -0.54 -5.12 0.00 -1.26 -4.78 121.76 113.59 2wyi s ALA 2 Ca 0.00 -0.16 0.23 0.00 0.00 0.00 0.00 51.96 52.03 2wyi s ALA 2 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2wyi s ALA 2 CO 0.00 -0.54 0.94 0.25 0.00 0.00 0.00 175.76 176.41 2wyi n THR 3 N 4.62 0.16 -4.25 0.00 -2.24 -0.89 -4.88 114.28 106.79 2wyi n THR 3 Ca 0.00 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 2wyi n THR 3 Cb 0.50 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 2wyi n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wyi s LYS 4 N -3.24 2.10 -0.23 -0.78 -0.14 -1.16 -4.84 119.74 111.45 2wyi s LYS 4 Ca 0.02 -1.11 0.02 0.00 -1.36 0.00 0.00 55.97 53.54 2wyi s LYS 4 Cb 0.14 -2.25 0.05 0.00 -1.68 0.00 0.00 37.83 34.08 2wyi s LYS 4 CO 0.82 0.48 -0.13 0.21 -0.76 0.00 0.00 175.35 175.97 2wyi s LYS 5 N -2.42 2.43 -0.50 1.68 2.20 0.18 -0.56 119.74 122.74 2wyi s LYS 5 Ca 0.22 -1.13 -0.17 0.00 -0.36 0.00 0.00 55.97 54.53 2wyi s LYS 5 Cb -0.10 -2.74 0.07 0.00 -1.51 0.00 0.00 37.83 33.55 2wyi s LYS 5 CO 0.14 -0.45 0.53 0.08 -0.36 0.00 0.00 175.35 175.30 2wyi s VAL 6 N 1.20 5.03 -0.27 4.02 1.01 0.71 -0.77 120.40 131.32 2wyi s VAL 6 Ca -0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 2wyi s VAL 6 Cb -0.17 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2wyi s VAL 6 CO -0.08 -0.74 0.80 -1.00 0.00 0.00 0.00 175.10 174.08 2wyi s HIS 7 N 2.19 3.26 -0.35 5.22 0.09 0.18 -1.10 115.29 124.79 2wyi s HIS 7 Ca 0.10 0.97 -0.12 0.00 -0.00 0.00 0.00 55.06 56.01 2wyi s HIS 7 Cb -0.22 -3.12 0.00 0.00 -0.00 0.00 0.00 32.58 29.25 2wyi s HIS 7 CO 0.09 -0.47 0.21 0.42 -0.00 0.00 0.00 174.74 174.99 2wyi s ILE 8 N 2.88 4.90 -0.38 0.60 -1.09 -0.27 -0.57 121.20 127.26 2wyi s ILE 8 Ca 0.33 -0.51 -0.06 0.00 -2.23 0.00 0.00 60.65 58.18 2wyi s ILE 8 Cb -0.15 -3.60 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2wyi s ILE 8 CO 0.10 -0.09 0.17 -0.63 -1.23 0.00 0.00 174.94 173.26 2wyi s ILE 9 N 1.64 3.79 0.09 2.92 1.01 -0.27 -0.29 121.20 130.09 2wyi s ILE 9 Ca 0.04 -1.41 -0.30 0.00 0.00 0.00 0.00 60.65 58.98 2wyi s ILE 9 Cb -0.18 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 2wyi s ILE 9 CO 0.08 -0.38 1.17 -0.44 0.00 0.00 0.00 174.94 175.37 2wyi s SER 10 N 1.73 7.13 0.21 3.58 0.01 -1.26 -0.32 113.70 124.78 2wyi s SER 10 Ca 0.01 2.03 -0.19 0.00 1.31 0.00 0.00 55.95 59.11 2wyi s SER 10 Cb -0.21 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.46 2wyi s SER 10 CO 0.01 -0.40 0.58 -1.38 0.41 0.00 0.00 173.24 172.46 2wyi s HIS 11 N 0.72 -0.19 -0.02 2.43 -0.00 -0.94 -0.37 115.29 116.92 2wyi s HIS 11 Ca 0.56 -0.16 0.01 0.00 -0.00 0.00 0.00 55.06 55.48 2wyi s HIS 11 Cb -0.29 0.49 0.01 0.00 -0.00 0.00 0.00 32.58 32.79 2wyi s HIS 11 CO 0.31 -0.98 -0.04 0.45 -0.00 0.00 0.00 174.74 174.47 2wyi s SER 12 N -2.87 0.70 -0.60 7.38 0.15 -1.24 -3.95 113.70 113.28 2wyi s SER 12 Ca 0.09 -0.10 -0.21 0.00 0.70 0.00 0.00 55.95 56.43 2wyi s SER 12 Cb -0.02 -0.23 0.08 0.00 -1.71 0.00 0.00 66.02 64.14 2wyi s SER 12 CO -0.02 -0.00 0.80 -2.28 1.20 0.00 0.00 173.24 172.94 2wyi s HIS 13 N 0.44 2.87 -0.88 3.44 2.46 -0.61 -4.22 115.29 118.79 2wyi s HIS 13 Ca -0.05 -0.68 -0.04 0.00 0.47 0.00 0.00 55.06 54.77 2wyi s HIS 13 Cb -0.09 -4.05 0.22 0.00 -0.13 0.00 0.00 32.58 28.53 2wyi s HIS 13 CO -0.00 -1.39 0.78 -0.46 -2.47 0.00 0.00 174.74 171.19 2wyi s TRP 14 N 3.28 3.87 0.12 3.88 -0.11 -1.26 -0.56 118.94 128.15 2wyi s TRP 14 Ca 0.17 -2.88 -0.31 0.00 1.22 0.00 0.00 56.10 54.31 2wyi s TRP 14 Cb -0.20 -3.35 -0.10 0.00 -1.50 0.00 0.00 33.47 28.32 2wyi s TRP 14 CO 0.09 -0.80 1.81 -0.51 -4.62 0.00 0.00 176.95 172.93 2wyi s ASP 15 N 0.31 6.44 0.22 5.86 1.01 -1.26 -4.85 116.67 124.41 2wyi s ASP 15 Ca 0.26 2.73 -0.08 0.00 0.71 0.00 0.00 52.55 56.17 2wyi s ASP 15 Cb -0.10 -2.57 0.31 0.00 1.01 0.00 0.00 42.92 41.58 2wyi s ASP 15 CO -0.10 -0.99 1.77 -0.09 0.21 0.00 0.00 175.17 175.96 2wyi h ARG 16 N 8.61 0.53 -2.64 8.23 2.43 -1.97 -3.42 114.38 126.15 2wyi h ARG 16 Ca -0.46 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.58 2wyi h ARG 16 Cb 1.22 -0.12 -0.22 0.00 -0.42 0.00 0.00 29.97 30.42 2wyi h ARG 16 CO 0.95 0.35 -0.15 -1.83 -1.51 0.00 0.00 179.97 177.78 2wyi s GLU 17 N -6.07 0.64 0.00 0.20 -1.05 -1.26 -4.64 118.70 106.52 2wyi s GLU 17 Ca -0.13 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.10 2wyi s GLU 17 Cb 0.18 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 2wyi s GLU 17 CO 0.76 -0.12 0.00 1.87 0.95 0.00 0.00 175.26 178.71 2wyi n TRP 18 N 2.23 0.00 1.25 4.83 -0.00 -1.26 -4.54 117.44 119.95 2wyi n TRP 18 Ca -0.16 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.48 2wyi n TRP 18 Cb 0.57 0.00 0.66 0.00 -0.00 0.00 0.00 31.31 32.54 2wyi n TRP 18 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 177.69 180.17 2wyi n TYR 19 N 0.00 0.00 -4.34 5.87 0.18 -1.26 -1.71 117.16 115.90 2wyi n TYR 19 Ca 0.00 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.60 2wyi n TYR 19 Cb 0.00 -0.34 -0.10 0.00 -0.38 0.00 0.00 39.34 38.52 2wyi n TYR 19 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 2wyi s MET 20 N -2.73 1.34 0.47 -3.48 -1.94 -1.26 -4.78 119.30 106.91 2wyi s MET 20 Ca 0.23 -1.65 -0.24 0.00 -1.71 0.00 0.00 55.69 52.32 2wyi s MET 20 Cb 0.20 -0.83 -0.08 0.00 2.01 0.00 0.00 34.83 36.12 2wyi s MET 20 CO 0.50 0.01 1.20 0.00 -0.01 0.00 0.00 175.02 176.72 2wyi n ALA 21 N -0.41 0.99 -0.36 3.03 0.00 -1.26 -4.81 120.51 117.69 2wyi n ALA 21 Ca -0.07 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.61 2wyi n ALA 21 Cb 0.63 -2.23 0.10 0.00 0.00 0.00 0.00 19.45 17.95 2wyi n ALA 21 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wyi n TYR 22 N -0.61 0.24 -0.16 0.00 9.36 -1.26 -0.81 117.16 123.92 2wyi n TYR 22 Ca 0.09 1.20 0.03 0.00 3.32 0.00 0.00 57.90 62.54 2wyi n TYR 22 Cb 0.41 -1.00 0.32 0.00 -0.63 0.00 0.00 39.34 38.44 2wyi n TYR 22 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2wyi h GLU 23 N 0.00 0.82 -0.81 2.98 4.39 -1.91 0.91 114.58 120.97 2wyi h GLU 23 Ca 0.42 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.06 2wyi h GLU 23 Cb 0.67 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2wyi h GLU 23 CO -1.00 0.54 0.45 1.96 -1.16 0.00 0.00 179.01 179.80 2wyi h GLN 24 N 0.84 1.12 -0.19 2.33 1.08 -1.32 0.72 115.11 119.68 2wyi h GLN 24 Ca 0.26 -0.12 -0.19 0.00 -1.45 0.00 0.00 58.65 57.14 2wyi h GLN 24 Cb -0.01 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.20 2wyi h GLN 24 CO -0.06 0.82 -0.66 0.45 -0.95 0.00 0.00 178.83 178.42 2wyi h HIS 25 N 1.12 0.93 -0.42 2.96 3.86 -0.95 -3.22 115.15 119.43 2wyi h HIS 25 Ca 0.28 -0.37 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2wyi h HIS 25 Cb 0.02 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 2wyi h HIS 25 CO 0.00 1.17 0.24 1.25 0.86 0.00 0.00 177.93 181.45 2wyi h HIS 26 N 0.52 0.45 0.00 2.45 -0.00 0.15 -1.54 115.15 117.17 2wyi h HIS 26 Ca -0.02 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 2wyi h HIS 26 Cb 1.26 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.52 2wyi h HIS 26 CO 0.07 0.25 -0.31 0.52 -0.00 0.00 0.00 177.93 178.46 2wyi h MET 27 N 0.48 0.00 0.00 5.26 2.07 -0.97 -1.10 114.93 120.68 2wyi h MET 27 Ca 0.17 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.80 2wyi h MET 27 Cb 0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.75 2wyi h MET 27 CO -0.08 0.31 -0.01 0.00 1.07 0.00 0.00 176.91 178.20 2wyi h ARG 28 N 0.00 0.00 -0.09 1.72 3.08 -1.38 -2.80 114.38 114.92 2wyi h ARG 28 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 2wyi h ARG 28 Cb 0.57 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.63 2wyi h ARG 28 CO 0.04 0.01 -0.83 1.25 -1.07 0.00 0.00 179.97 179.37 2wyi h LEU 29 N 0.00 0.88 -0.55 3.04 5.85 -0.26 -2.16 115.31 122.12 2wyi h LEU 29 Ca -0.00 -0.68 0.09 0.00 0.84 0.00 0.00 57.88 58.14 2wyi h LEU 29 Cb 0.79 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 2wyi h LEU 29 CO 0.00 1.43 0.14 0.40 -0.34 0.00 0.00 178.44 180.07 2wyi h ILE 30 N 0.41 0.71 -0.76 4.05 1.08 -1.25 -1.11 117.51 120.64 2wyi h ILE 30 Ca -0.08 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 2wyi h ILE 30 Cb 1.48 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 2wyi h ILE 30 CO 0.17 0.05 0.48 0.78 -0.69 0.00 0.00 178.15 178.94 2wyi h ASN 31 N 0.29 0.90 0.54 1.72 2.35 -1.37 -0.59 115.58 119.42 2wyi h ASN 31 Ca 0.28 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2wyi h ASN 31 Cb 0.38 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2wyi h ASN 31 CO -0.34 0.68 -0.37 0.25 -1.65 0.00 0.00 177.43 176.00 2wyi h LEU 32 N 1.04 -0.94 -0.91 1.61 5.85 -0.68 0.95 115.31 122.23 2wyi h LEU 32 Ca 0.28 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 2wyi h LEU 32 Cb -0.07 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2wyi h LEU 32 CO -0.05 -0.56 0.28 0.40 -0.34 0.00 0.00 178.44 178.16 2wyi h ILE 33 N -0.88 1.25 -0.29 4.05 1.08 -1.17 -0.18 117.51 121.36 2wyi h ILE 33 Ca -0.06 -0.79 0.04 0.00 -0.39 0.00 0.00 64.86 63.65 2wyi h ILE 33 Cb 0.73 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 2wyi h ILE 33 CO 0.04 0.32 0.08 0.44 -0.69 0.00 0.00 178.15 178.34 2wyi h ASP 34 N 1.05 0.05 -0.40 1.72 3.32 -0.96 -0.82 116.42 120.39 2wyi h ASP 34 Ca 0.24 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 2wyi h ASP 34 Cb 0.22 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2wyi h ASP 34 CO -0.02 0.07 0.17 0.44 -1.72 0.00 0.00 179.24 178.18 2wyi h ASP 35 N 0.19 0.59 0.05 6.45 3.32 -0.08 -2.42 116.42 124.52 2wyi h ASP 35 Ca 0.13 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2wyi h ASP 35 Cb 0.13 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2wyi h ASP 35 CO -0.16 0.54 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.81 2wyi h LEU 36 N 0.64 -0.06 -1.23 1.55 3.38 -0.53 -1.12 115.31 117.95 2wyi h LEU 36 Ca 0.16 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2wyi h LEU 36 Cb 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wyi h LEU 36 CO -0.01 0.30 -0.12 -0.07 0.09 0.00 0.00 178.44 178.62 2wyi h LEU 37 N -0.43 0.36 -0.35 1.67 3.38 -1.10 -0.38 115.31 118.48 2wyi h LEU 37 Ca -0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2wyi h LEU 37 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2wyi h LEU 37 CO 0.01 0.52 -0.03 -0.08 0.09 0.00 0.00 178.44 178.95 2wyi h GLU 38 N 0.36 0.63 -0.03 1.13 4.57 -1.46 -3.13 114.58 116.64 2wyi h GLU 38 Ca 0.07 -0.22 -0.11 0.00 -1.18 0.00 0.00 59.36 57.93 2wyi h GLU 38 Cb 0.44 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2wyi h GLU 38 CO 0.02 0.77 -0.49 -0.24 -1.18 0.00 0.00 179.01 177.89 2wyi h VAL 39 N 0.43 1.35 0.00 0.32 3.04 -0.67 -2.03 116.25 118.69 2wyi h VAL 39 Ca 0.09 -1.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.08 2wyi h VAL 39 Cb 0.50 1.88 -0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2wyi h VAL 39 CO 0.02 0.49 -0.07 -0.26 -1.01 0.00 0.00 177.57 176.74 2wyi h PHE 40 N 0.05 0.00 0.12 3.17 0.04 -1.04 -1.31 116.94 117.97 2wyi h PHE 40 Ca -0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 2wyi h PHE 40 Cb 0.88 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.03 2wyi h PHE 40 CO 0.00 0.07 -1.64 1.96 -0.60 0.00 0.00 178.31 178.10 2wyi h GLN 41 N 0.00 0.26 0.00 1.51 1.08 -1.34 -3.41 115.11 113.21 2wyi h GLN 41 Ca -0.00 -0.45 -0.15 0.00 -1.45 0.00 0.00 58.65 56.60 2wyi h GLN 41 Cb 0.17 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2wyi h GLN 41 CO 0.01 1.21 -0.89 1.79 -0.95 0.00 0.00 178.83 180.00 2wyi h THR 42 N -0.17 0.98 -3.06 -0.54 1.35 -1.25 -3.41 112.91 106.81 2wyi h THR 42 Ca -0.35 -2.48 -0.61 0.00 -0.55 0.00 0.00 66.41 62.42 2wyi h THR 42 Cb 1.87 2.44 -0.40 0.00 -1.73 0.00 0.00 68.15 70.33 2wyi h THR 42 CO 0.07 0.56 -0.73 -0.62 -0.25 0.00 0.00 175.52 174.54 2wyi s ASP 43 N -6.35 3.78 0.61 5.36 -1.08 -0.51 -4.97 116.67 113.51 2wyi s ASP 43 Ca 0.01 -2.47 0.39 0.00 -0.52 0.00 0.00 52.55 49.96 2wyi s ASP 43 Cb 0.08 -1.06 1.94 0.00 -1.46 0.00 0.00 42.92 42.42 2wyi s ASP 43 CO 0.78 -0.29 2.20 1.55 0.52 0.00 0.00 175.17 179.92 2wyi h PRO 44 N 6.96 0.00 0.00 4.34 0.13 -1.81 -2.03 132.00 139.59 2wyi h PRO 44 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2wyi h PRO 44 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2wyi h PRO 44 CO 0.49 0.00 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.92 2wyi n ASP 45 N -3.10 0.33 -4.60 1.44 8.00 -1.26 -4.77 116.55 112.59 2wyi n ASP 45 Ca -0.01 0.41 -0.43 0.00 0.71 0.00 0.00 54.79 55.47 2wyi n ASP 45 Cb 0.18 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2wyi n ASP 45 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wyi s PHE 46 N -3.04 1.57 0.01 1.24 5.36 -0.77 -4.92 117.98 117.44 2wyi s PHE 46 Ca 0.12 0.58 -0.13 0.00 -0.96 0.00 0.00 56.93 56.53 2wyi s PHE 46 Cb 0.17 -4.05 -0.07 0.00 -0.34 0.00 0.00 43.02 38.72 2wyi s PHE 46 CO 0.58 -3.41 0.89 1.25 -1.46 0.00 0.00 175.22 173.08 2wyi h HIS 47 N 13.58 -0.45 -2.64 10.12 -0.00 -1.87 -3.49 115.15 130.40 2wyi h HIS 47 Ca -0.37 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.12 2wyi h HIS 47 Cb 1.19 0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 28.68 2wyi h HIS 47 CO 0.95 -0.28 0.37 -1.54 -0.00 0.00 0.00 177.93 177.43 2wyi s SER 48 N -3.42 -0.22 -0.03 3.26 1.04 -1.26 -4.32 113.70 108.74 2wyi s SER 48 Ca -0.07 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.89 2wyi s SER 48 Cb 0.01 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2wyi s SER 48 CO 0.21 -1.09 -0.03 0.12 0.98 0.00 0.00 173.24 173.43 2wyi s PHE 49 N -3.57 0.58 -0.26 5.02 5.36 -0.02 -4.46 117.98 120.63 2wyi s PHE 49 Ca 0.11 -0.13 -0.18 0.00 -0.96 0.00 0.00 56.93 55.78 2wyi s PHE 49 Cb -0.03 -0.55 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2wyi s PHE 49 CO 0.04 -0.15 0.51 -1.58 -1.46 0.00 0.00 175.22 172.58 2wyi s HIS 50 N 0.82 3.27 -0.40 10.12 5.65 0.50 -1.21 115.29 134.04 2wyi s HIS 50 Ca -0.10 0.63 -0.02 0.00 0.25 0.00 0.00 55.06 55.82 2wyi s HIS 50 Cb -0.13 -2.71 0.20 0.00 -1.18 0.00 0.00 32.58 28.76 2wyi s HIS 50 CO -0.00 -0.27 2.22 1.28 -0.65 0.00 0.00 174.74 177.32 2wyi n LEU 51 N 5.49 6.62 -1.58 8.88 4.77 -0.39 -3.60 117.00 137.19 2wyi n LEU 51 Ca -0.04 -3.63 -0.16 0.00 -0.03 0.00 0.00 56.01 52.15 2wyi n LEU 51 Cb 0.50 -1.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.45 2wyi n LEU 51 CO 0.40 1.39 -0.18 -0.67 -1.33 0.00 0.00 177.39 177.00 2wyi n ASP 52 N 0.35 -4.93 0.00 -1.43 2.03 -1.26 -2.80 116.55 108.51 2wyi n ASP 52 Ca 0.39 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.89 2wyi n ASP 52 Cb 0.57 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.02 2wyi n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wyi n GLY 53 N -0.99 0.17 3.03 0.27 0.00 -1.25 -4.89 105.19 101.54 2wyi n GLY 53 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2wyi n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wyi s GLN 54 N -1.29 2.24 0.52 1.61 -2.07 -1.12 -1.46 119.66 118.09 2wyi s GLN 54 Ca 0.00 -0.84 0.30 0.00 -1.82 0.00 0.00 55.36 53.00 2wyi s GLN 54 Cb 0.00 -2.43 1.26 0.00 -1.09 0.00 0.00 33.01 30.74 2wyi s GLN 54 CO 0.00 -0.38 1.95 1.79 -1.32 0.00 0.00 175.29 177.34 2wyi h THR 55 N 6.30 0.21 -0.56 3.63 1.35 -0.37 -3.15 112.91 120.33 2wyi h THR 55 Ca -0.31 -0.69 0.16 0.00 -0.55 0.00 0.00 66.41 65.02 2wyi h THR 55 Cb 1.10 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 2wyi h THR 55 CO 0.51 0.08 0.43 -0.29 -0.25 0.00 0.00 175.52 175.99 2wyi h ILE 56 N 0.00 0.64 -0.94 6.82 2.10 -1.67 -0.78 117.51 123.68 2wyi h ILE 56 Ca -0.00 0.00 0.09 0.00 1.08 0.00 0.00 64.86 66.03 2wyi h ILE 56 Cb 0.56 0.70 -0.07 0.00 -1.09 0.00 0.00 36.82 36.91 2wyi h ILE 56 CO 0.01 0.00 0.59 0.40 -1.08 0.00 0.00 178.15 178.07 2wyi h ILE 57 N 0.00 0.99 -0.39 2.19 2.04 -1.82 0.14 117.51 120.65 2wyi h ILE 57 Ca 0.27 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2wyi h ILE 57 Cb 1.12 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2wyi h ILE 57 CO -0.00 0.18 -0.02 -0.07 0.00 0.00 0.00 178.15 178.24 2wyi h LEU 58 N 1.00 0.70 -0.50 1.44 3.38 -1.38 -1.32 115.31 118.63 2wyi h LEU 58 Ca 0.43 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2wyi h LEU 58 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2wyi h LEU 58 CO -0.22 0.85 0.32 0.44 0.09 0.00 0.00 178.44 179.92 2wyi h ASP 59 N 0.53 0.53 0.09 -0.43 3.32 -1.32 -1.36 116.42 117.78 2wyi h ASP 59 Ca 0.11 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 2wyi h ASP 59 Cb 0.50 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2wyi h ASP 59 CO 0.02 0.38 -0.20 0.44 -1.72 0.00 0.00 179.24 178.17 2wyi h ASP 60 N 0.64 0.20 -0.07 6.45 3.32 -0.59 -1.21 116.42 125.16 2wyi h ASP 60 Ca 0.19 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2wyi h ASP 60 Cb -0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2wyi h ASP 60 CO -0.06 0.42 -0.22 0.22 -1.72 0.00 0.00 179.24 177.88 2wyi h TYR 61 N 0.20 0.35 0.00 4.55 3.20 -0.82 -3.28 116.97 121.17 2wyi h TYR 61 Ca 0.04 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 2wyi h TYR 61 Cb 0.47 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2wyi h TYR 61 CO 0.01 0.83 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.06 2wyi h LEU 62 N -0.22 0.00 -2.34 2.82 3.38 -1.00 -0.22 115.31 117.72 2wyi h LEU 62 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wyi h LEU 62 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2wyi h LEU 62 CO 0.05 0.23 -0.03 0.11 0.09 0.00 0.00 178.44 178.88 2wyi h LYS 63 N 0.00 0.00 0.01 1.13 1.57 -1.28 -1.20 116.57 116.80 2wyi h LYS 63 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 2wyi h LYS 63 Cb 0.48 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 2wyi h LYS 63 CO 0.03 0.03 -2.44 0.28 -0.57 0.00 0.00 179.45 176.78 2wyi n VAL 64 N -3.78 1.52 -3.21 0.50 0.31 -0.81 -4.77 118.33 108.10 2wyi n VAL 64 Ca -0.03 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.53 2wyi n VAL 64 Cb 0.12 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 2wyi n VAL 64 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wyi n ARG 65 N -3.62 2.82 0.26 5.55 1.74 -0.16 -4.92 116.66 118.32 2wyi n ARG 65 Ca -0.48 -4.73 0.12 0.00 -0.77 0.00 0.00 57.85 51.99 2wyi n ARG 65 Cb 0.95 -2.23 0.70 0.00 -1.02 0.00 0.00 32.46 30.86 2wyi n ARG 65 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2wyi h PRO 66 N 3.64 0.00 0.00 5.56 0.13 -1.46 -1.94 132.00 137.92 2wyi h PRO 66 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2wyi h PRO 66 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2wyi h PRO 66 CO 0.82 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.87 2wyi n GLU 67 N -3.74 0.36 -0.41 0.86 0.00 -1.26 -2.34 120.64 114.11 2wyi n GLU 67 Ca -0.02 0.08 0.11 0.00 0.00 0.00 0.00 57.16 57.33 2wyi n GLU 67 Cb 0.23 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.50 2wyi n GLU 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wyi n ARG 68 N -1.23 2.88 -0.20 3.44 5.12 -0.73 -4.58 116.66 121.37 2wyi n ARG 68 Ca 0.11 -2.70 0.00 0.00 -1.93 0.00 0.00 57.85 53.33 2wyi n ARG 68 Cb 0.14 -1.62 0.11 0.00 -1.16 0.00 0.00 32.46 29.93 2wyi n ARG 68 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2wyi h GLU 69 N 4.26 0.26 -0.44 5.56 4.81 -1.64 -1.56 114.58 125.83 2wyi h GLU 69 Ca 0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2wyi h GLU 69 Cb 1.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2wyi h GLU 69 CO 0.03 0.17 0.06 -1.35 -0.73 0.00 0.00 179.01 177.20 2wyi h PRO 70 N 0.27 0.68 -0.39 0.92 0.11 -1.87 0.16 132.00 131.88 2wyi h PRO 70 Ca 0.31 -0.14 -0.11 0.00 0.11 0.00 0.00 66.00 66.17 2wyi h PRO 70 Cb 0.46 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 2wyi h PRO 70 CO -0.39 0.65 -0.22 0.93 -0.21 0.00 0.00 178.00 178.76 2wyi h GLU 71 N 0.65 0.76 -0.17 1.05 3.07 -1.79 0.11 114.58 118.26 2wyi h GLU 71 Ca 0.14 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 2wyi h GLU 71 Cb 0.32 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2wyi h GLU 71 CO 0.00 0.92 0.02 0.82 -1.40 0.00 0.00 179.01 179.37 2wyi h ILE 72 N 0.67 1.23 -0.76 3.13 1.08 -0.91 -1.84 117.51 120.10 2wyi h ILE 72 Ca 0.09 -0.74 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 2wyi h ILE 72 Cb 0.73 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.84 2wyi h ILE 72 CO 0.06 0.22 0.48 -0.09 -0.69 0.00 0.00 178.15 178.13 2wyi h ARG 73 N 0.06 1.02 -0.44 2.37 2.43 -0.50 -1.02 114.38 118.29 2wyi h ARG 73 Ca 0.05 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 2wyi h ARG 73 Cb 0.32 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2wyi h ARG 73 CO 0.00 0.70 -0.00 0.37 -1.51 0.00 0.00 179.97 179.54 2wyi h GLN 74 N 1.04 0.78 -0.53 0.20 5.75 -0.97 0.22 115.11 121.60 2wyi h GLN 74 Ca 0.28 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2wyi h GLN 74 Cb -0.07 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 2wyi h GLN 74 CO -0.06 0.85 0.30 0.00 -2.65 0.00 0.00 178.83 177.27 2wyi h ALA 75 N 0.91 1.52 -0.16 3.38 0.00 -0.96 -1.58 119.26 122.37 2wyi h ALA 75 Ca 0.13 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2wyi h ALA 75 Cb 0.49 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2wyi h ALA 75 CO 0.02 0.40 -0.78 0.82 0.00 0.00 0.00 179.25 179.72 2wyi h ILE 76 N 0.74 1.27 -0.80 0.00 2.04 -0.95 -0.57 117.51 119.24 2wyi h ILE 76 Ca 0.19 -1.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 2wyi h ILE 76 Cb 0.01 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2wyi h ILE 76 CO -0.03 0.63 0.39 0.00 0.00 0.00 0.00 178.15 179.14 2wyi h ALA 77 N 0.55 1.19 0.00 1.87 0.00 -0.39 -2.65 119.26 119.84 2wyi h ALA 77 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wyi h ALA 77 Cb 1.41 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wyi h ALA 77 CO 0.16 0.62 -0.08 -1.13 0.00 0.00 0.00 179.25 178.82 2wyi n SER 78 N -4.32 0.29 0.00 0.00 3.41 -0.65 -4.93 113.62 107.42 2wyi n SER 78 Ca 0.08 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2wyi n SER 78 Cb 0.13 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2wyi n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wyi n GLY 79 N 1.44 0.69 0.20 5.00 0.00 -1.00 -4.96 105.19 106.56 2wyi n GLY 79 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 2wyi n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wyi h LYS 80 N 4.18 0.00 -5.19 1.61 1.57 -1.32 -3.40 116.57 114.03 2wyi h LYS 80 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 2wyi h LYS 80 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.08 2wyi h LYS 80 CO 0.00 0.32 -0.68 -0.51 -0.57 0.00 0.00 179.45 178.02 2wyi s LEU 81 N -7.18 3.18 -0.28 2.94 1.43 -0.82 -0.84 118.68 117.11 2wyi s LEU 81 Ca -0.01 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2wyi s LEU 81 Cb 0.12 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2wyi s LEU 81 CO 0.67 0.10 0.03 -0.13 0.23 0.00 0.00 176.35 177.26 2wyi s ARG 82 N 0.75 3.00 0.17 1.70 1.81 -0.35 -4.53 118.95 121.51 2wyi s ARG 82 Ca -0.01 -0.90 0.11 0.00 -1.72 0.00 0.00 55.73 53.21 2wyi s ARG 82 Cb -0.14 -3.24 -0.04 0.00 -0.45 0.00 0.00 34.95 31.07 2wyi s ARG 82 CO 0.02 -0.43 -0.21 0.96 -0.68 0.00 0.00 175.30 174.96 2wyi s ILE 83 N 1.44 2.57 0.00 1.52 -4.36 -1.26 -1.26 121.20 119.84 2wyi s ILE 83 Ca 0.02 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 2wyi s ILE 83 Cb -0.17 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.32 2wyi s ILE 83 CO 0.00 -0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.73 2wyi n GLY 84 N 0.36 -1.35 0.94 6.27 0.00 -1.26 -1.13 105.19 109.01 2wyi n GLY 84 Ca -0.13 -1.28 0.07 0.00 0.00 0.00 0.00 46.02 44.68 2wyi n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wyi n PRO 85 N -0.03 2.29 -3.43 1.61 -0.04 -1.24 -3.75 135.00 130.42 2wyi n PRO 85 Ca 0.00 -1.71 -0.20 0.00 -0.04 0.00 0.00 63.50 61.55 2wyi n PRO 85 Cb 0.00 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2wyi n PRO 85 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wyi s PHE 86 N -1.50 3.19 -0.15 0.54 0.08 -0.54 -3.53 117.98 116.07 2wyi s PHE 86 Ca 0.31 -0.09 -0.27 0.00 0.12 0.00 0.00 56.93 57.00 2wyi s PHE 86 Cb 0.18 -2.01 -0.25 0.00 -0.57 0.00 0.00 43.02 40.37 2wyi s PHE 86 CO 0.19 -0.03 0.66 -0.92 -0.10 0.00 0.00 175.22 175.02 2wyi h TYR 87 N 0.82 0.02 -3.48 0.36 3.20 -1.70 0.27 116.97 116.45 2wyi h TYR 87 Ca -0.47 -0.01 -0.36 0.00 3.14 0.00 0.00 58.73 61.03 2wyi h TYR 87 Cb 1.25 -0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.38 2wyi h TYR 87 CO 0.43 1.12 -0.65 0.96 -1.64 0.00 0.00 178.16 178.38 2wyi s ILE 88 N -2.26 0.87 -0.60 1.81 -5.25 -1.26 -2.09 121.20 112.42 2wyi s ILE 88 Ca -0.21 -2.01 -0.17 0.00 -0.99 0.00 0.00 60.65 57.26 2wyi s ILE 88 Cb -0.01 -2.37 0.13 0.00 2.95 0.00 0.00 42.46 43.16 2wyi s ILE 88 CO 0.67 -0.29 0.64 -0.76 -1.79 0.00 0.00 174.94 173.42 2wyi s LEU 89 N -3.28 5.82 0.91 0.37 1.43 -1.26 -4.90 118.68 117.76 2wyi s LEU 89 Ca 0.29 -1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 51.56 2wyi s LEU 89 Cb 0.06 -2.26 0.14 0.00 0.03 0.00 0.00 46.19 44.16 2wyi s LEU 89 CO 0.09 -0.97 1.14 0.00 0.23 0.00 0.00 176.35 176.84 2wyi s GLN 90 N 2.03 1.18 -0.12 1.70 0.00 -1.26 -1.34 119.66 121.86 2wyi s GLN 90 Ca 0.09 0.28 -0.20 0.00 -0.00 0.00 0.00 55.36 55.53 2wyi s GLN 90 Cb -0.25 -1.84 -0.04 0.00 0.00 0.00 0.00 33.01 30.88 2wyi s GLN 90 CO 0.03 -2.17 0.56 0.34 0.00 0.00 0.00 175.29 174.05 2wyi s ASP 91 N -4.06 6.76 0.05 12.60 2.15 -1.18 -4.26 116.67 128.72 2wyi s ASP 91 Ca 0.64 0.91 -0.28 0.00 0.43 0.00 0.00 52.55 54.25 2wyi s ASP 91 Cb -0.15 -2.33 -0.17 0.00 -0.30 0.00 0.00 42.92 39.97 2wyi s ASP 91 CO 0.53 -0.08 1.51 0.44 -0.17 0.00 0.00 175.17 177.39 2wyi h ASP 92 N 6.90 -0.41 1.21 -0.34 5.19 -1.93 -3.22 116.42 123.81 2wyi h ASP 92 Ca -0.39 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 55.85 2wyi h ASP 92 Cb 1.18 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 2wyi h ASP 92 CO 0.76 -0.19 -0.51 -0.26 -3.12 0.00 0.00 179.24 175.92 2wyi h PHE 93 N -0.62 0.00 -0.01 4.55 0.04 -1.93 -3.27 116.94 115.70 2wyi h PHE 93 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2wyi h PHE 93 Cb 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 2wyi h PHE 93 CO -0.02 0.51 -0.35 1.28 -0.60 0.00 0.00 178.31 179.13 2wyi n LEU 94 N -3.34 1.32 -4.81 1.54 4.77 -1.25 -4.72 117.00 110.50 2wyi n LEU 94 Ca 0.01 -0.41 -0.25 0.00 -0.03 0.00 0.00 56.01 55.33 2wyi n LEU 94 Cb 0.68 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 2wyi n LEU 94 CO 0.40 0.25 -0.20 0.42 -1.33 0.00 0.00 177.39 176.93 2wyi s THR 95 N -2.52 4.52 0.84 -5.08 -4.23 -1.22 -5.01 115.64 102.93 2wyi s THR 95 Ca 0.22 -1.16 -0.10 0.00 -1.18 0.00 0.00 61.69 59.46 2wyi s THR 95 Cb 0.19 -3.35 0.10 0.00 1.34 0.00 0.00 72.50 70.78 2wyi s THR 95 CO 0.55 -0.18 1.12 -0.94 -0.54 0.00 0.00 174.62 174.63 2wyi s SER 96 N -3.34 3.75 0.12 3.99 1.04 -1.26 -4.83 113.70 113.17 2wyi s SER 96 Ca 0.32 2.00 -0.32 0.00 0.48 0.00 0.00 55.95 58.43 2wyi s SER 96 Cb -0.09 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 2wyi s SER 96 CO 0.24 -2.54 1.57 0.28 0.98 0.00 0.00 173.24 173.76 2wyi h SER 97 N -1.47 -1.51 -0.99 7.02 0.02 -1.91 -1.39 113.55 113.32 2wyi h SER 97 Ca -0.43 0.18 0.14 0.00 -0.84 0.00 0.00 61.79 60.84 2wyi h SER 97 Cb 1.25 0.59 -0.09 0.00 0.14 0.00 0.00 62.40 64.29 2wyi h SER 97 CO 0.47 -0.47 0.62 -0.33 -1.14 0.00 0.00 176.83 175.98 2wyi h GLU 98 N -0.57 0.87 -0.72 3.45 4.39 -1.92 -1.24 114.58 118.85 2wyi h GLU 98 Ca 0.05 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2wyi h GLU 98 Cb 0.67 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2wyi h GLU 98 CO -0.39 0.58 0.47 0.77 -1.16 0.00 0.00 179.01 179.28 2wyi h SER 99 N 0.90 0.67 0.13 1.42 0.02 -1.62 0.39 113.55 115.46 2wyi h SER 99 Ca 0.51 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.40 2wyi h SER 99 Cb 0.63 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2wyi h SER 99 CO -0.29 0.44 -0.22 0.78 -1.14 0.00 0.00 176.83 176.40 2wyi h ASN 100 N 0.76 0.17 0.14 3.07 2.35 -0.61 -1.11 115.58 120.35 2wyi h ASN 100 Ca 0.31 -0.04 -0.25 0.00 -0.55 0.00 0.00 56.30 55.77 2wyi h ASN 100 Cb 0.24 -0.05 0.03 0.00 0.05 0.00 0.00 38.32 38.59 2wyi h ASN 100 CO -0.10 0.40 -1.05 0.58 -1.65 0.00 0.00 177.43 175.61 2wyi h VAL 101 N 0.16 1.38 0.00 2.81 2.07 -0.79 -3.32 116.25 118.57 2wyi h VAL 101 Ca 0.03 -2.48 -0.03 0.00 0.82 0.00 0.00 66.70 65.04 2wyi h VAL 101 Cb 0.49 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 2wyi h VAL 101 CO 0.03 0.73 -0.16 0.03 0.02 0.00 0.00 177.57 178.22 2wyi h ARG 102 N -0.03 0.00 -0.93 1.57 2.47 -0.06 0.13 114.38 117.54 2wyi h ARG 102 Ca -0.17 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.55 2wyi h ARG 102 Cb 1.79 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 30.06 2wyi h ARG 102 CO 0.20 0.16 0.60 -0.97 0.56 0.00 0.00 179.97 180.52 2wyi h ASN 103 N 0.00 1.08 0.11 7.04 -1.24 -1.32 -0.03 115.58 121.22 2wyi h ASN 103 Ca -0.00 -0.04 -0.28 0.00 0.71 0.00 0.00 56.30 56.68 2wyi h ASN 103 Cb 0.60 -0.27 0.03 0.00 0.73 0.00 0.00 38.32 39.41 2wyi h ASN 103 CO 0.02 0.79 -1.18 0.24 -1.29 0.00 0.00 177.43 176.01 2wyi h MET 104 N 1.26 0.60 0.05 6.67 2.86 -1.12 -1.92 114.93 123.33 2wyi h MET 104 Ca 0.34 -0.80 0.01 0.00 -2.06 0.00 0.00 59.70 57.19 2wyi h MET 104 Cb -0.12 0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2wyi h MET 104 CO -0.07 1.36 -0.11 1.25 1.06 0.00 0.00 176.91 180.40 2wyi h LEU 105 N 0.21 -0.32 -0.45 1.22 5.85 -0.66 0.13 115.31 121.30 2wyi h LEU 105 Ca -0.18 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.43 2wyi h LEU 105 Cb 1.87 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 43.01 2wyi h LEU 105 CO 0.23 -0.17 -0.34 0.40 -0.34 0.00 0.00 178.44 178.22 2wyi h ILE 106 N -0.22 1.27 -0.47 4.05 1.08 -1.11 -2.14 117.51 119.98 2wyi h ILE 106 Ca 0.03 -1.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.02 2wyi h ILE 106 Cb 0.24 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 2wyi h ILE 106 CO -0.08 0.51 0.24 1.23 -0.69 0.00 0.00 178.15 179.36 2wyi h GLY 107 N 0.83 0.65 1.01 5.37 0.00 -1.24 -0.06 103.07 109.63 2wyi h GLY 107 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2wyi h GLY 107 CO 0.09 0.12 0.28 1.70 0.00 0.00 0.00 176.54 178.73 2wyi h LYS 108 N 0.48 0.98 -0.52 4.80 1.63 -0.85 -0.24 116.57 122.85 2wyi h LYS 108 Ca 0.20 -0.17 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2wyi h LYS 108 Cb 0.09 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2wyi h LYS 108 CO -0.13 0.81 0.24 1.49 -3.45 0.00 0.00 179.45 178.41 2wyi h GLU 109 N 0.93 0.76 -0.52 1.90 4.81 -0.98 0.19 114.58 121.68 2wyi h GLU 109 Ca 0.22 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2wyi h GLU 109 Cb 0.18 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 2wyi h GLU 109 CO -0.02 0.63 0.29 -0.44 -0.73 0.00 0.00 179.01 178.74 2wyi h ASP 110 N 0.70 0.64 -0.91 1.04 3.32 -0.76 -1.58 116.42 118.87 2wyi h ASP 110 Ca 0.18 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2wyi h ASP 110 Cb 0.13 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2wyi h ASP 110 CO -0.02 0.54 0.51 0.00 -1.72 0.00 0.00 179.24 178.55 2wyi h ASP 112 N 1.27 1.07 -0.74 0.00 3.32 -0.36 0.32 116.42 121.31 2wyi h ASP 112 Ca 0.32 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wyi h ASP 112 Cb 0.01 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 2wyi h ASP 112 CO -0.05 1.07 0.47 -0.09 -1.72 0.00 0.00 179.24 178.92 2wyi h ARG 113 N 1.02 0.99 0.00 3.56 2.43 -0.84 -3.04 114.38 118.51 2wyi h ARG 113 Ca 0.20 -0.07 -0.23 0.00 -0.81 0.00 0.00 59.98 59.06 2wyi h ARG 113 Cb 0.48 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 2wyi h ARG 113 CO 0.02 0.67 -1.37 -1.49 -1.51 0.00 0.00 179.97 176.29 2wyi h TRP 114 N 1.01 0.00 0.00 2.20 4.06 -0.97 -3.49 115.95 118.77 2wyi h TRP 114 Ca 0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.22 2wyi h TRP 114 Cb -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 2wyi h TRP 114 CO 0.00 0.87 0.00 0.41 -3.56 0.00 0.00 178.44 176.16 2wyi n GLY 115 N 1.44 1.12 3.39 1.49 0.00 0.11 -4.76 105.19 107.98 2wyi n GLY 115 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2wyi n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wyi s ALA 116 N -2.00 -1.23 -0.23 4.61 0.00 -0.99 -4.96 121.76 116.96 2wyi s ALA 116 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 2wyi s ALA 116 Cb 0.00 0.80 0.06 0.00 0.00 0.00 0.00 23.12 23.98 2wyi s ALA 116 CO 0.00 -0.72 0.60 0.45 0.00 0.00 0.00 175.76 176.09 2wyi s SER 117 N -2.79 -0.67 -0.14 0.00 0.15 -1.26 -4.58 113.70 104.41 2wyi s SER 117 Ca 0.03 1.24 -0.29 0.00 0.70 0.00 0.00 55.95 57.64 2wyi s SER 117 Cb 0.00 1.23 -0.01 0.00 -1.71 0.00 0.00 66.02 65.53 2wyi s SER 117 CO -0.11 -0.21 0.97 -0.69 1.20 0.00 0.00 173.24 174.40 2wyi s VAL 118 N 0.62 4.79 -0.94 4.45 1.01 -0.29 -4.94 120.40 125.10 2wyi s VAL 118 Ca -0.02 1.95 -0.07 0.00 0.00 0.00 0.00 61.98 63.84 2wyi s VAL 118 Cb -0.05 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2wyi s VAL 118 CO -0.04 -0.02 2.92 -0.81 0.00 0.00 0.00 175.10 177.15 2wyi n PRO 119 N 5.28 3.30 -3.68 2.72 -0.04 -1.26 -3.63 135.00 137.69 2wyi n PRO 119 Ca 0.08 -2.30 -0.18 0.00 -0.04 0.00 0.00 63.50 61.06 2wyi n PRO 119 Cb 0.48 -2.44 -0.17 0.00 -0.04 0.00 0.00 33.50 31.34 2wyi n PRO 119 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wyi s LEU 120 N -0.98 0.20 0.27 1.53 2.96 -1.26 -4.44 118.68 116.97 2wyi s LEU 120 Ca 0.63 0.17 -0.30 0.00 -0.22 0.00 0.00 54.13 54.40 2wyi s LEU 120 Cb 0.25 0.02 -0.11 0.00 0.50 0.00 0.00 46.19 46.86 2wyi s LEU 120 CO -0.09 -0.23 1.56 -0.83 -1.32 0.00 0.00 176.35 175.44 2wyi s GLY 121 N 2.04 2.11 -0.29 7.98 0.00 0.39 -4.35 107.32 115.20 2wyi s GLY 121 Ca 0.02 1.51 0.02 0.00 0.00 0.00 0.00 44.72 46.27 2wyi s GLY 121 CO -0.04 2.50 -0.01 -0.47 0.00 0.00 0.00 173.10 175.08 2wyi s TYR 122 N 0.08 2.92 -0.42 1.90 5.04 -1.26 -0.19 117.35 125.41 2wyi s TYR 122 Ca 0.63 -2.28 0.10 0.00 -2.44 0.00 0.00 57.07 53.08 2wyi s TYR 122 Cb -0.46 -2.12 0.40 0.00 0.35 0.00 0.00 41.96 40.13 2wyi s TYR 122 CO 0.46 -0.87 0.96 1.19 -1.34 0.00 0.00 175.55 175.94 2wyi n PHE 123 N 4.51 2.31 0.22 4.97 3.72 0.57 -4.92 117.46 128.84 2wyi n PHE 123 Ca -0.06 -3.35 0.11 0.00 -0.05 0.00 0.00 57.45 54.10 2wyi n PHE 123 Cb 0.43 -0.32 0.69 0.00 -0.94 0.00 0.00 39.48 39.34 2wyi n PHE 123 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wyi h PRO 124 N 2.86 0.00 0.00 -1.08 0.13 -1.92 -3.22 132.00 128.77 2wyi h PRO 124 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2wyi h PRO 124 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2wyi h PRO 124 CO 0.68 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.98 2wyi n ASP 125 N -4.40 0.36 -4.63 1.44 2.03 -1.26 -2.82 116.55 107.26 2wyi n ASP 125 Ca -0.01 -0.98 -0.46 0.00 0.52 0.00 0.00 54.79 53.86 2wyi n ASP 125 Cb 0.18 0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 2wyi n ASP 125 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wyi n THR 126 N -0.01 1.08 -1.83 5.18 -1.04 -1.22 -4.83 114.28 111.61 2wyi n THR 126 Ca 0.00 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 2wyi n THR 126 Cb 0.16 -1.22 -0.00 0.00 -1.82 0.00 0.00 70.33 67.44 2wyi n THR 126 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2wyi n PHE 127 N 1.53 3.33 0.00 -1.42 3.72 -1.26 -4.63 117.46 118.73 2wyi n PHE 127 Ca 0.12 -2.94 0.00 0.00 -0.05 0.00 0.00 57.45 54.58 2wyi n PHE 127 Cb 0.29 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.42 2wyi n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wyi n GLY 128 N 3.76 2.23 3.22 1.37 0.00 -1.26 -4.89 105.19 109.61 2wyi n GLY 128 Ca 0.51 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2wyi n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wyi s ASN 129 N 0.00 3.16 0.49 1.61 0.01 0.17 -4.62 114.94 115.77 2wyi s ASN 129 Ca 0.00 -0.55 -0.24 0.00 -0.71 0.00 0.00 52.86 51.36 2wyi s ASN 129 Cb 0.00 -1.43 -0.07 0.00 0.41 0.00 0.00 41.25 40.16 2wyi s ASN 129 CO 0.00 0.14 1.38 1.15 -1.51 0.00 0.00 177.10 178.26 2wyi n MET 130 N 3.65 1.97 0.30 -0.60 0.00 -1.26 -1.69 117.12 119.49 2wyi n MET 130 Ca -0.19 0.71 0.17 0.00 0.00 0.00 0.00 57.70 58.39 2wyi n MET 130 Cb 0.53 -2.57 0.95 0.00 0.00 0.00 0.00 33.22 32.13 2wyi n MET 130 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2wyi h GLY 131 N 1.89 0.00 -1.46 3.17 0.00 -1.90 -2.52 103.07 102.25 2wyi h GLY 131 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2wyi h GLY 131 CO 0.59 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.07 2wyi n GLN 132 N -3.55 1.96 -0.28 4.80 1.13 -1.26 -4.09 117.38 116.08 2wyi n GLN 132 Ca -0.03 -1.48 0.06 0.00 -1.94 0.00 0.00 57.00 53.61 2wyi n GLN 132 Cb 0.12 -1.35 0.20 0.00 0.11 0.00 0.00 30.24 29.33 2wyi n GLN 132 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2wyi h THR 133 N 2.51 0.76 0.19 5.09 2.02 -1.82 -1.10 112.91 120.55 2wyi h THR 133 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2wyi h THR 133 Cb 0.57 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2wyi h THR 133 CO 0.00 0.11 -0.17 -0.65 0.37 0.00 0.00 175.52 175.18 2wyi h PRO 134 N 0.62 -0.37 -0.46 6.66 0.11 -1.86 -0.20 132.00 136.50 2wyi h PRO 134 Ca 0.43 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.57 2wyi h PRO 134 Cb 0.57 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 2wyi h PRO 134 CO -0.34 -0.24 0.28 0.37 -0.21 0.00 0.00 178.00 177.86 2wyi h GLN 135 N -0.38 0.61 -0.08 1.05 4.15 -1.75 -0.56 115.11 118.16 2wyi h GLN 135 Ca -0.00 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.21 2wyi h GLN 135 Cb 0.35 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2wyi h GLN 135 CO -0.03 0.42 -0.66 -0.07 -1.93 0.00 0.00 178.83 176.56 2wyi h LEU 136 N 0.62 0.36 0.18 -2.39 3.38 -0.92 -0.94 115.31 115.61 2wyi h LEU 136 Ca 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2wyi h LEU 136 Cb -0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2wyi h LEU 136 CO -0.03 0.92 -0.08 0.24 0.09 0.00 0.00 178.44 179.57 2wyi h MET 137 N 0.22 -0.23 -0.24 1.13 2.86 -0.59 -2.95 114.93 115.13 2wyi h MET 137 Ca -0.01 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2wyi h MET 137 Cb 1.20 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.86 2wyi h MET 137 CO 0.11 0.19 -0.09 -0.07 1.06 0.00 0.00 176.91 178.11 2wyi h LEU 138 N -0.82 -0.30 0.00 1.22 3.38 -0.81 0.16 115.31 118.13 2wyi h LEU 138 Ca -0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wyi h LEU 138 Cb 0.52 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2wyi h LEU 138 CO 0.04 -0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.75 2wyi n LYS 139 N -5.25 0.85 -0.14 1.13 5.02 -0.36 -0.96 118.16 118.44 2wyi n LYS 139 Ca -0.01 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2wyi n LYS 139 Cb 0.17 -1.18 0.14 0.00 -0.02 0.00 0.00 35.03 34.14 2wyi n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wyi n ALA 140 N -0.68 2.35 -1.62 7.82 0.00 -0.42 -0.96 120.51 127.01 2wyi n ALA 140 Ca 0.07 -2.11 -0.06 0.00 0.00 0.00 0.00 53.44 51.35 2wyi n ALA 140 Cb 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 2wyi n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wyi n GLY 141 N -0.90 0.48 3.32 0.00 0.00 -0.13 -5.00 105.19 102.97 2wyi n GLY 141 Ca 0.13 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 2wyi n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wyi s LEU 142 N -1.43 2.34 0.00 0.99 1.43 0.43 -5.00 118.68 117.43 2wyi s LEU 142 Ca 0.00 -0.42 0.20 0.00 -1.03 0.00 0.00 54.13 52.88 2wyi s LEU 142 Cb 0.00 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2wyi s LEU 142 CO 0.00 0.23 0.98 0.00 0.23 0.00 0.00 176.35 177.78 2wyi n GLN 143 N 3.08 1.25 -3.71 1.70 3.00 -1.26 -2.52 117.38 118.92 2wyi n GLN 143 Ca -0.18 -0.78 -0.12 0.00 -0.01 0.00 0.00 57.00 55.92 2wyi n GLN 143 Cb 0.52 -1.41 -0.07 0.00 0.00 0.00 0.00 30.24 29.29 2wyi n GLN 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wyi s ALA 144 N -2.37 -0.81 -0.00 -1.58 0.00 -1.26 -1.48 121.76 114.25 2wyi s ALA 144 Ca 0.15 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.20 2wyi s ALA 144 Cb 0.16 0.39 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 2wyi s ALA 144 CO 0.56 -0.46 -0.02 0.00 0.00 0.00 0.00 175.76 175.84 2wyi s ALA 145 N -2.75 0.20 -0.16 0.00 0.00 -0.74 -0.46 121.76 117.85 2wyi s ALA 145 Ca -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.76 2wyi s ALA 145 Cb -0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2wyi s ALA 145 CO -0.04 0.05 0.07 0.00 0.00 0.00 0.00 175.76 175.83 2wyi s ALA 146 N -0.03 3.50 0.12 0.00 0.00 0.73 -0.86 121.76 125.22 2wyi s ALA 146 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 2wyi s ALA 146 Cb -0.01 -1.88 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 2wyi s ALA 146 CO -0.00 0.33 0.23 -0.59 0.00 0.00 0.00 175.76 175.73 2wyi s PHE 147 N -0.12 0.23 -0.01 0.00 -0.12 -0.57 -0.32 117.98 117.08 2wyi s PHE 147 Ca 0.07 -0.64 0.02 0.00 -0.05 0.00 0.00 56.93 56.33 2wyi s PHE 147 Cb -0.12 -0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.19 2wyi s PHE 147 CO 0.01 -0.61 0.04 0.41 -0.05 0.00 0.00 175.22 175.02 2wyi n GLY 148 N -0.12 0.04 3.55 1.99 0.00 -1.13 -1.96 105.19 107.56 2wyi n GLY 148 Ca -0.12 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2wyi n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wyi s ARG 149 N -2.00 2.56 0.00 1.61 0.52 -1.26 -4.78 118.95 115.60 2wyi s ARG 149 Ca -0.00 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 2wyi s ARG 149 Cb 0.01 -2.47 0.00 0.00 0.52 0.00 0.00 34.95 33.01 2wyi s ARG 149 CO 0.07 0.62 0.00 0.41 0.02 0.00 0.00 175.30 176.42 2wyi n GLY 150 N 1.93 0.59 3.06 -3.53 0.00 -1.26 -4.87 105.19 101.10 2wyi n GLY 150 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2wyi n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wyi s ILE 151 N -2.36 1.75 -0.34 -0.61 -1.09 -1.26 -4.47 121.20 112.82 2wyi s ILE 151 Ca 0.00 -0.75 -0.23 0.00 -2.23 0.00 0.00 60.65 57.43 2wyi s ILE 151 Cb 0.00 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.26 2wyi s ILE 151 CO 0.00 0.48 0.78 -0.60 -1.23 0.00 0.00 174.94 174.38 2wyi s ARG 152 N 1.41 3.84 -0.10 2.79 3.52 -0.82 -4.91 118.95 124.68 2wyi s ARG 152 Ca 0.05 0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.78 2wyi s ARG 152 Cb -0.13 -3.77 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 2wyi s ARG 152 CO -0.12 -0.78 1.09 -1.25 -0.81 0.00 0.00 175.30 173.44 2wyi s PRO 153 N 3.04 4.37 0.09 5.12 0.04 -1.26 -1.47 135.00 144.94 2wyi s PRO 153 Ca 0.32 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.87 2wyi s PRO 153 Cb -0.14 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 2wyi s PRO 153 CO 0.15 -0.41 0.21 0.95 0.04 0.00 0.00 177.00 177.94 2wyi s THR 154 N 2.26 5.23 0.97 1.26 -4.23 0.38 -4.94 115.64 116.56 2wyi s THR 154 Ca 0.51 -0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 60.35 2wyi s THR 154 Cb -0.20 -3.59 0.08 0.00 1.34 0.00 0.00 72.50 70.12 2wyi s THR 154 CO 0.18 0.06 0.57 0.61 -0.54 0.00 0.00 174.62 175.50 2wyi n GLY 155 N 0.05 -1.68 0.12 3.99 0.00 -1.26 -4.44 105.19 101.98 2wyi n GLY 155 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 2wyi n GLY 155 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wyi h PHE 156 N -1.73 0.08 0.00 1.61 0.05 -1.73 -3.30 116.94 111.91 2wyi h PHE 156 Ca -0.45 -0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.30 2wyi h PHE 156 Cb 1.29 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 39.23 2wyi h PHE 156 CO 0.39 0.77 0.00 0.27 -0.18 0.00 0.00 178.31 179.56 2wyi n ASN 157 N -3.69 0.00 -4.71 2.17 2.04 -1.26 -4.78 115.26 105.03 2wyi n ASN 157 Ca -0.01 0.20 -0.35 0.00 -0.44 0.00 0.00 54.58 53.98 2wyi n ASN 157 Cb 0.72 -0.40 -0.09 0.00 -2.53 0.00 0.00 39.78 37.48 2wyi n ASN 157 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2wyi s ASN 158 N -2.80 5.39 0.25 0.53 6.03 -1.24 -5.10 114.94 118.00 2wyi s ASN 158 Ca 0.21 0.18 -0.30 0.00 -1.03 0.00 0.00 52.86 51.91 2wyi s ASN 158 Cb 0.19 -1.55 -0.10 0.00 -3.03 0.00 0.00 41.25 36.76 2wyi s ASN 158 CO 0.49 0.37 1.44 0.00 -2.03 0.00 0.00 177.10 177.38 2wyi s GLN 159 N -0.96 4.26 0.82 3.55 -2.07 -1.26 -4.79 119.66 119.21 2wyi s GLN 159 Ca 0.14 2.30 -0.11 0.00 -1.82 0.00 0.00 55.36 55.88 2wyi s GLN 159 Cb -0.11 -3.11 0.09 0.00 -1.09 0.00 0.00 33.01 28.78 2wyi s GLN 159 CO 0.03 -0.43 1.13 0.14 -1.32 0.00 0.00 175.29 174.84 2wyi s VAL 160 N 0.02 2.69 -0.17 3.63 -7.23 -1.26 -5.05 120.40 113.03 2wyi s VAL 160 Ca 0.60 0.24 -0.01 0.00 -1.81 0.00 0.00 61.98 61.00 2wyi s VAL 160 Cb -0.42 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 2wyi s VAL 160 CO 0.43 -0.28 -0.12 -0.62 -0.31 0.00 0.00 175.10 174.21 2wyi s ASP 161 N -2.90 3.90 0.12 4.85 -1.08 -1.26 -5.01 116.67 115.30 2wyi s ASP 161 Ca 0.65 -0.42 0.09 0.00 -0.52 0.00 0.00 52.55 52.35 2wyi s ASP 161 Cb -0.21 -1.62 -0.17 0.00 -1.46 0.00 0.00 42.92 39.46 2wyi s ASP 161 CO 0.55 0.07 1.22 0.71 0.52 0.00 0.00 175.17 178.23 2wyi h THR 162 N 5.63 1.46 0.00 1.71 1.35 -2.01 -3.28 112.91 117.78 2wyi h THR 162 Ca -0.35 -3.13 -0.05 0.00 -0.55 0.00 0.00 66.41 62.33 2wyi h THR 162 Cb 1.18 2.72 -0.01 0.00 -1.73 0.00 0.00 68.15 70.31 2wyi h THR 162 CO 0.58 0.83 -0.24 -1.28 -0.25 0.00 0.00 175.52 175.17 2wyi h SER 163 N 0.00 0.00 -2.79 5.36 0.87 -2.04 -3.41 113.55 111.55 2wyi h SER 163 Ca -0.05 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.88 2wyi h SER 163 Cb 1.74 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.55 2wyi h SER 163 CO 0.11 0.24 0.48 -1.61 -0.53 0.00 0.00 176.83 175.53 2wyi s GLU 164 N -4.36 3.14 0.52 2.24 2.02 -1.24 -4.93 118.70 116.09 2wyi s GLU 164 Ca -0.03 -0.79 0.23 0.00 0.02 0.00 0.00 54.97 54.39 2wyi s GLU 164 Cb 0.15 -4.20 1.40 0.00 0.10 0.00 0.00 34.13 31.57 2wyi s GLU 164 CO 0.68 -1.71 2.11 0.87 0.02 0.00 0.00 175.26 177.23 2wyi h LYS 165 N 9.47 0.00 -0.18 1.61 1.57 -1.87 -3.23 116.57 123.94 2wyi h LYS 165 Ca -0.28 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.36 2wyi h LYS 165 Cb 1.07 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.27 2wyi h LYS 165 CO 1.15 0.09 -0.59 0.66 -0.57 0.00 0.00 179.45 180.19 2wyi n TYR 166 N -4.02 0.66 -4.19 -1.35 4.01 -1.26 -4.70 117.16 106.30 2wyi n TYR 166 Ca -0.02 -1.66 -0.29 0.00 -0.16 0.00 0.00 57.90 55.77 2wyi n TYR 166 Cb 0.18 -0.27 -0.09 0.00 -0.31 0.00 0.00 39.34 38.85 2wyi n TYR 166 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2wyi s SER 167 N -3.31 4.64 -0.00 7.72 0.01 -1.22 -1.95 113.70 119.59 2wyi s SER 167 Ca 0.41 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 57.36 2wyi s SER 167 Cb 0.38 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 2wyi s SER 167 CO -0.05 0.16 -0.07 -0.55 0.41 0.00 0.00 173.24 173.15 2wyi s SER 168 N -2.37 0.79 0.17 2.44 0.15 -0.54 -4.91 113.70 109.43 2wyi s SER 168 Ca 0.24 -0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 2wyi s SER 168 Cb -0.11 -0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.18 2wyi s SER 168 CO 0.16 0.07 1.65 -0.61 1.20 0.00 0.00 173.24 175.71 2wyi h GLN 169 N 5.92 0.99 -6.09 5.44 4.15 -1.86 0.11 115.11 123.76 2wyi h GLN 169 Ca -0.29 -0.28 -0.59 0.00 0.77 0.00 0.00 58.65 58.26 2wyi h GLN 169 Cb 1.19 -0.11 -0.12 0.00 0.21 0.00 0.00 27.48 28.65 2wyi h GLN 169 CO 0.50 0.95 -0.67 -0.06 -1.93 0.00 0.00 178.83 177.61 2wyi s PHE 170 N -5.15 2.48 -2.00 3.99 0.08 -1.26 -4.26 117.98 111.85 2wyi s PHE 170 Ca -0.12 -0.38 0.08 0.00 0.12 0.00 0.00 56.93 56.62 2wyi s PHE 170 Cb 0.13 -1.28 0.46 0.00 -0.57 0.00 0.00 43.02 41.76 2wyi s PHE 170 CO 0.83 0.59 0.97 -1.13 -0.10 0.00 0.00 175.22 176.38 2wyi n SER 171 N -0.83 0.00 -4.01 1.36 3.41 0.32 -4.58 113.62 109.28 2wyi n SER 171 Ca -0.05 -0.93 -0.24 0.00 -0.26 0.00 0.00 58.87 57.39 2wyi n SER 171 Cb 0.61 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.40 2wyi n SER 171 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2wyi s GLU 172 N -2.00 1.59 0.35 4.33 8.01 -1.26 -1.11 118.70 128.60 2wyi s GLU 172 Ca 0.12 -0.39 0.04 0.00 0.01 0.00 0.00 54.97 54.75 2wyi s GLU 172 Cb 0.05 -1.33 -0.06 0.00 -4.31 0.00 0.00 34.13 28.48 2wyi s GLU 172 CO 0.09 0.03 0.05 0.96 0.01 0.00 0.00 175.26 176.40 2wyi s ILE 173 N 0.64 1.28 -0.31 -1.63 -4.36 0.69 -4.63 121.20 112.88 2wyi s ILE 173 Ca -0.13 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.20 2wyi s ILE 173 Cb -0.15 -2.79 0.03 0.00 1.25 0.00 0.00 42.46 40.80 2wyi s ILE 173 CO 0.03 0.00 0.07 -0.55 0.24 0.00 0.00 174.94 174.73 2wyi s SER 174 N -3.53 5.10 -0.31 4.36 0.15 -0.73 -0.64 113.70 118.09 2wyi s SER 174 Ca 0.35 -0.99 -0.15 0.00 0.70 0.00 0.00 55.95 55.85 2wyi s SER 174 Cb 0.08 -1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2wyi s SER 174 CO 0.16 -0.26 0.39 0.86 1.20 0.00 0.00 173.24 175.59 2wyi s TRP 175 N 1.41 3.22 -0.14 3.44 -0.11 -0.77 -0.90 118.94 125.08 2wyi s TRP 175 Ca -0.01 0.20 -0.03 0.00 1.22 0.00 0.00 56.10 57.49 2wyi s TRP 175 Cb -0.18 -2.67 -0.03 0.00 -1.50 0.00 0.00 33.47 29.09 2wyi s TRP 175 CO 0.01 -0.36 -0.05 -1.14 -4.62 0.00 0.00 176.95 170.79 2wyi s GLN 176 N 2.10 3.52 0.75 5.86 0.74 -0.20 -1.59 119.66 130.84 2wyi s GLN 176 Ca 0.14 -0.54 -0.06 0.00 0.05 0.00 0.00 55.36 54.95 2wyi s GLN 176 Cb -0.16 -2.84 0.11 0.00 1.10 0.00 0.00 33.01 31.22 2wyi s GLN 176 CO 0.11 0.30 1.05 0.20 -0.55 0.00 0.00 175.29 176.40 2wyi s GLY 177 N 0.20 1.75 0.39 2.59 0.00 -0.11 -1.09 107.32 111.05 2wyi s GLY 177 Ca -0.03 -1.31 0.28 0.00 0.00 0.00 0.00 44.72 43.66 2wyi s GLY 177 CO 0.03 -0.78 1.84 -0.56 0.00 0.00 0.00 173.10 173.64 2wyi h PRO 178 N -0.74 0.00 -0.19 2.90 0.13 -1.90 -2.08 132.00 130.12 2wyi h PRO 178 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2wyi h PRO 178 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2wyi h PRO 178 CO 0.48 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.85 2wyi n ASP 179 N -2.52 2.51 0.00 1.44 5.75 -1.26 -4.66 116.55 117.81 2wyi n ASP 179 Ca -0.00 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2wyi n ASP 179 Cb 0.15 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2wyi n ASP 179 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wyi n ASN 180 N 0.90 -2.36 -4.77 -1.12 3.02 -0.78 -4.92 115.26 105.24 2wyi n ASN 180 Ca 0.17 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.33 2wyi n ASN 180 Cb 0.48 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 2wyi n ASN 180 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2wyi s SER 181 N -2.10 6.49 -0.03 6.41 0.01 -1.26 -4.80 113.70 118.41 2wyi s SER 181 Ca 0.00 2.56 0.04 0.00 1.31 0.00 0.00 55.95 59.87 2wyi s SER 181 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 2wyi s SER 181 CO 0.00 -0.72 -0.16 -0.13 0.41 0.00 0.00 173.24 172.65 2wyi s ARG 182 N -2.14 1.52 0.12 12.44 0.52 -1.26 -0.93 118.95 129.21 2wyi s ARG 182 Ca 0.55 -0.55 0.03 0.00 -0.52 0.00 0.00 55.73 55.24 2wyi s ARG 182 Cb -0.36 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 2wyi s ARG 182 CO 0.47 0.26 -0.09 0.96 0.02 0.00 0.00 175.30 176.91 2wyi s ILE 183 N -0.07 0.97 0.04 1.52 -4.36 -0.62 -4.99 121.20 113.69 2wyi s ILE 183 Ca -0.01 -1.91 -0.30 0.00 -0.26 0.00 0.00 60.65 58.17 2wyi s ILE 183 Cb -0.09 -1.66 -0.07 0.00 1.25 0.00 0.00 42.46 41.88 2wyi s ILE 183 CO 0.01 -0.73 1.51 -0.22 0.24 0.00 0.00 174.94 175.75 2wyi s LEU 184 N -2.93 4.34 -0.27 0.37 2.96 -0.55 -1.84 118.68 120.76 2wyi s LEU 184 Ca 0.12 2.30 -0.11 0.00 -0.22 0.00 0.00 54.13 56.22 2wyi s LEU 184 Cb 0.02 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 2wyi s LEU 184 CO -0.01 -0.79 0.20 -0.83 -1.32 0.00 0.00 176.35 173.60 2wyi s GLY 185 N 2.04 1.94 -0.40 7.98 0.00 0.19 -1.78 107.32 117.28 2wyi s GLY 185 Ca 0.68 -1.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 2wyi s GLY 185 CO 0.29 0.63 0.21 -2.27 0.00 0.00 0.00 173.10 171.97 2wyi s LEU 186 N 1.63 5.01 -0.20 0.66 2.96 -0.04 -0.22 118.68 128.49 2wyi s LEU 186 Ca 0.08 -1.59 -0.13 0.00 -0.22 0.00 0.00 54.13 52.28 2wyi s LEU 186 Cb -0.15 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 2wyi s LEU 186 CO 0.09 -0.50 0.25 -0.22 -1.32 0.00 0.00 176.35 174.65 2wyi s LEU 187 N 1.34 4.18 -1.22 -0.68 2.96 -0.27 -1.51 118.68 123.48 2wyi s LEU 187 Ca 0.03 0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 54.10 2wyi s LEU 187 Cb -0.23 -2.28 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 2wyi s LEU 187 CO 0.00 0.06 1.96 0.49 -1.32 0.00 0.00 176.35 177.54 2wyi n PHE 188 N 3.98 3.43 0.17 5.38 3.72 -0.83 -4.76 117.46 128.55 2wyi n PHE 188 Ca -0.13 -2.42 0.16 0.00 -0.05 0.00 0.00 57.45 55.02 2wyi n PHE 188 Cb 0.52 -2.43 0.77 0.00 -0.94 0.00 0.00 39.48 37.39 2wyi n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wyi h ALA 189 N 7.58 2.00 -0.11 4.37 0.00 -1.89 -0.33 119.26 130.89 2wyi h ALA 189 Ca 0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 2wyi h ALA 189 Cb 0.78 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2wyi h ALA 189 CO 1.64 -0.34 -0.18 0.09 0.00 0.00 0.00 179.25 180.46 2wyi n ASN 190 N -4.05 2.38 -0.97 0.00 3.02 -1.26 -4.95 115.26 109.42 2wyi n ASN 190 Ca 0.03 -3.49 0.12 0.00 -0.03 0.00 0.00 54.58 51.21 2wyi n ASN 190 Cb 0.36 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 2wyi n ASN 190 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 2wyi n TRP 191 N -1.14 -2.60 1.63 3.10 -0.00 -0.13 -3.81 117.44 114.49 2wyi n TRP 191 Ca 0.21 1.42 0.00 0.00 -0.00 0.00 0.00 57.50 59.13 2wyi n TRP 191 Cb 0.77 -2.37 0.00 0.00 -0.00 0.00 0.00 31.31 29.72 2wyi n TRP 191 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 177.69 180.17 2wyi n TYR 192 N -3.62 0.00 -0.43 5.87 0.18 -1.26 -2.39 117.16 115.51 2wyi n TYR 192 Ca -0.06 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.78 2wyi n TYR 192 Cb 0.46 -0.02 0.13 0.00 -0.38 0.00 0.00 39.34 39.54 2wyi n TYR 192 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2wyi n SER 193 N -0.40 2.80 0.15 9.48 3.41 -1.25 -4.32 113.62 123.49 2wyi n SER 193 Ca 0.00 -2.38 0.09 0.00 -0.26 0.00 0.00 58.87 56.32 2wyi n SER 193 Cb 0.04 -0.26 0.59 0.00 -0.26 0.00 0.00 64.21 64.31 2wyi n SER 193 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wyi h ASN 194 N 1.14 0.14 -0.42 4.04 -1.07 -1.56 -1.81 115.58 116.03 2wyi h ASN 194 Ca 0.00 -0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.24 2wyi h ASN 194 Cb 0.86 -0.03 -0.08 0.00 -2.07 0.00 0.00 38.32 37.00 2wyi h ASN 194 CO 0.05 0.10 0.06 0.61 0.07 0.00 0.00 177.43 178.31 2wyi n GLY 195 N -1.53 4.30 3.75 9.14 0.00 -0.21 -4.86 105.19 115.77 2wyi n GLY 195 Ca 0.01 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 2wyi n GLY 195 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wyi s ASN 196 N -1.95 7.00 -1.02 1.61 2.47 -0.68 -4.08 114.94 118.29 2wyi s ASN 196 Ca 0.46 2.42 -0.14 0.00 0.42 0.00 0.00 52.86 56.02 2wyi s ASN 196 Cb 0.39 -2.63 -0.01 0.00 -1.45 0.00 0.00 41.25 37.56 2wyi s ASN 196 CO 0.07 -0.39 0.75 -0.62 -3.72 0.00 0.00 177.10 173.19 2wyi n GLU 197 N 1.68 -1.29 -1.94 0.43 1.02 -1.26 -4.91 120.64 114.36 2wyi n GLU 197 Ca 0.02 0.68 -0.42 0.00 -0.02 0.00 0.00 57.16 57.42 2wyi n GLU 197 Cb 0.43 -4.11 -0.03 0.00 -0.02 0.00 0.00 31.44 27.72 2wyi n GLU 197 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wyi s ILE 198 N -3.31 2.57 0.64 -3.67 1.01 -1.26 -4.98 121.20 112.20 2wyi s ILE 198 Ca 0.32 0.44 -0.15 0.00 0.00 0.00 0.00 60.65 61.26 2wyi s ILE 198 Cb -0.11 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2wyi s ILE 198 CO 0.85 0.05 1.09 -2.84 0.00 0.00 0.00 174.94 174.09 2wyi s PRO 199 N 0.49 2.99 0.00 2.79 0.02 -1.26 -4.92 135.00 135.12 2wyi s PRO 199 Ca 0.66 1.31 0.07 0.00 0.02 0.00 0.00 61.00 63.06 2wyi s PRO 199 Cb -0.44 -1.98 0.10 0.00 0.02 0.00 0.00 34.50 32.21 2wyi s PRO 199 CO 0.37 -1.08 0.88 0.25 -0.33 0.00 0.00 177.00 177.08 2wyi n THR 200 N -2.29 0.38 -4.55 0.99 -2.24 -1.26 -4.67 114.28 100.64 2wyi n THR 200 Ca 0.10 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 2wyi n THR 200 Cb 0.52 0.90 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 2wyi n THR 200 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wyi s THR 201 N -0.73 2.56 0.09 4.28 -4.23 -1.26 -4.94 115.64 111.41 2wyi s THR 201 Ca 0.10 -1.44 -0.36 0.00 -1.18 0.00 0.00 61.69 58.81 2wyi s THR 201 Cb 0.06 -2.11 -0.17 0.00 1.34 0.00 0.00 72.50 71.63 2wyi s THR 201 CO 0.09 0.22 1.56 -0.08 -0.54 0.00 0.00 174.62 175.87 2wyi h GLU 202 N 4.21 -0.93 -0.70 3.99 4.81 -1.98 0.32 114.58 124.30 2wyi h GLU 202 Ca -0.49 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 58.88 2wyi h GLU 202 Cb 1.16 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.69 2wyi h GLU 202 CO 0.44 -0.62 0.37 0.00 -0.73 0.00 0.00 179.01 178.47 2wyi h ALA 203 N -0.84 0.96 -0.24 2.92 0.00 -1.99 0.21 119.26 120.27 2wyi h ALA 203 Ca -0.05 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2wyi h ALA 203 Cb 0.86 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wyi h ALA 203 CO -0.11 0.00 -0.52 0.93 0.00 0.00 0.00 179.25 179.56 2wyi h GLU 204 N 0.65 0.69 -0.64 0.00 3.07 -1.98 -2.88 114.58 113.49 2wyi h GLU 204 Ca 0.33 -0.42 -0.08 0.00 -0.50 0.00 0.00 59.36 58.69 2wyi h GLU 204 Cb 0.29 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 2wyi h GLU 204 CO -0.23 1.04 0.09 0.00 -1.40 0.00 0.00 179.01 178.51 2wyi h ALA 205 N 0.88 0.86 -0.25 3.43 0.00 0.70 -1.68 119.26 123.19 2wyi h ALA 205 Ca 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2wyi h ALA 205 Cb 1.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2wyi h ALA 205 CO 0.11 0.63 0.02 -0.09 0.00 0.00 0.00 179.25 179.92 2wyi h ARG 206 N 0.99 0.43 -0.76 0.00 2.43 -0.67 -0.22 114.38 116.57 2wyi h ARG 206 Ca 0.19 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2wyi h ARG 206 Cb 0.45 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 2wyi h ARG 206 CO 0.02 0.57 0.50 -0.07 -1.51 0.00 0.00 179.97 179.48 2wyi h LEU 207 N 0.22 0.86 0.37 3.80 3.38 -1.42 -1.17 115.31 121.34 2wyi h LEU 207 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wyi h LEU 207 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2wyi h LEU 207 CO 0.01 0.61 -0.18 0.15 0.09 0.00 0.00 178.44 179.12 2wyi h PHE 208 N 1.01 -0.46 -0.03 1.13 3.57 -1.14 -3.24 116.94 117.78 2wyi h PHE 208 Ca 0.28 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.63 2wyi h PHE 208 Cb -0.09 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2wyi h PHE 208 CO -0.02 -0.18 -0.63 -1.49 -2.23 0.00 0.00 178.31 173.75 2wyi h TRP 209 N -0.68 0.13 -0.99 0.41 4.06 -0.98 -1.04 115.95 116.84 2wyi h TRP 209 Ca -0.05 -0.05 0.06 0.00 2.06 0.00 0.00 58.89 60.91 2wyi h TRP 209 Cb 0.48 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.56 2wyi h TRP 209 CO -0.01 0.70 0.64 -0.44 -3.56 0.00 0.00 178.44 175.78 2wyi h ASP 210 N 0.07 1.04 0.04 -3.49 3.32 -1.30 -0.22 116.42 115.87 2wyi h ASP 210 Ca -0.01 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wyi h ASP 210 Cb 1.13 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2wyi h ASP 210 CO 0.09 0.67 -0.02 0.50 -1.72 0.00 0.00 179.24 178.76 2wyi h LYS 211 N 1.18 -0.05 -0.67 3.56 3.64 -1.55 -3.23 116.57 119.45 2wyi h LYS 211 Ca 0.42 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.77 2wyi h LYS 211 Cb 0.14 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2wyi h LYS 211 CO -0.16 0.60 0.29 0.87 -2.27 0.00 0.00 179.45 178.78 2wyi h LYS 212 N -0.89 0.99 -0.34 1.90 6.56 -1.10 0.12 116.57 123.80 2wyi h LYS 212 Ca -0.01 -0.17 -0.03 0.00 -1.06 0.00 0.00 60.65 59.39 2wyi h LYS 212 Cb 0.68 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 2wyi h LYS 212 CO 0.01 0.81 0.09 -0.07 -2.06 0.00 0.00 179.45 178.23 2wyi h LEU 213 N 0.94 0.51 -0.42 2.94 3.38 -1.22 -1.38 115.31 120.06 2wyi h LEU 213 Ca 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wyi h LEU 213 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wyi h LEU 213 CO -0.02 0.59 0.22 0.00 0.09 0.00 0.00 178.44 179.32 2wyi h ALA 214 N 0.93 0.54 -0.81 1.53 0.00 -1.52 0.45 119.26 120.38 2wyi h ALA 214 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wyi h ALA 214 Cb 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2wyi h ALA 214 CO -0.00 0.08 0.53 -0.44 0.00 0.00 0.00 179.25 179.42 2wyi h ASP 215 N 0.54 0.86 0.09 0.00 3.32 -0.87 -2.20 116.42 118.16 2wyi h ASP 215 Ca 0.15 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 2wyi h ASP 215 Cb 0.08 -0.20 0.02 0.00 0.22 0.00 0.00 39.33 39.45 2wyi h ASP 215 CO -0.02 0.60 -0.74 0.00 -1.72 0.00 0.00 179.24 177.35 2wyi h ALA 216 N 1.53 -0.03 0.00 3.45 0.00 -1.04 -3.34 119.26 119.83 2wyi h ALA 216 Ca 0.32 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2wyi h ALA 216 Cb 0.03 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wyi h ALA 216 CO -0.09 0.37 -0.07 0.93 0.00 0.00 0.00 179.25 180.39 2wyi h GLU 217 N -0.27 0.00 0.00 0.00 5.08 -0.81 -1.56 114.58 117.01 2wyi h GLU 217 Ca -0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2wyi h GLU 217 Cb 1.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 2wyi h GLU 217 CO 0.14 0.07 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.87 2wyi h ARG 218 N 0.00 0.00 0.00 2.33 2.43 -1.51 -3.31 114.38 114.32 2wyi h ARG 218 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2wyi h ARG 218 Cb 0.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2wyi h ARG 218 CO 0.01 0.26 -1.40 1.19 -1.51 0.00 0.00 179.97 178.52 2wyi n PHE 219 N -4.17 0.00 -1.89 2.20 3.72 -0.78 -3.04 117.46 113.51 2wyi n PHE 219 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 2wyi n PHE 219 Cb 0.32 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 2wyi n PHE 219 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wyi s ALA 220 N -2.43 3.75 -1.03 4.37 0.00 -0.66 -0.52 121.76 125.24 2wyi s ALA 220 Ca -0.03 1.33 0.27 0.00 0.00 0.00 0.00 51.96 53.53 2wyi s ALA 220 Cb 0.04 -3.67 1.15 0.00 0.00 0.00 0.00 23.12 20.64 2wyi s ALA 220 CO 0.31 -0.97 1.86 -1.13 0.00 0.00 0.00 175.76 175.83 2wyi n SER 221 N 4.81 0.00 -1.92 0.00 3.41 -1.26 -4.90 113.62 113.76 2wyi n SER 221 Ca 0.15 0.45 -0.06 0.00 -0.26 0.00 0.00 58.87 59.15 2wyi n SER 221 Cb 0.39 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 2wyi n SER 221 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wyi n THR 222 N -1.48 0.00 1.66 6.66 -2.24 -1.26 -4.61 114.28 113.01 2wyi n THR 222 Ca 0.07 -0.66 0.15 0.00 -2.27 0.00 0.00 64.05 61.34 2wyi n THR 222 Cb 0.30 0.28 0.78 0.00 -2.10 0.00 0.00 70.33 69.59 2wyi n THR 222 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2wyi n LYS 223 N -0.22 0.83 -3.28 -0.78 2.85 -1.26 -4.75 118.16 111.54 2wyi n LYS 223 Ca -0.00 -0.14 -0.42 0.00 -1.05 0.00 0.00 58.31 56.70 2wyi n LYS 223 Cb 0.17 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.97 2wyi n LYS 223 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2wyi s HIS 224 N -2.27 3.16 -0.18 5.58 3.76 -1.26 -0.65 115.29 123.44 2wyi s HIS 224 Ca 0.37 -0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.05 2wyi s HIS 224 Cb 0.21 -2.93 -0.05 0.00 1.11 0.00 0.00 32.58 30.92 2wyi s HIS 224 CO 0.42 -0.63 0.21 -0.51 -0.85 0.00 0.00 174.74 173.38 2wyi s LEU 225 N 2.29 4.22 -0.45 0.89 1.43 0.05 -4.91 118.68 122.20 2wyi s LEU 225 Ca 0.15 0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 2wyi s LEU 225 Cb -0.16 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.86 2wyi s LEU 225 CO 0.14 0.13 0.51 -0.22 0.23 0.00 0.00 176.35 177.13 2wyi s LEU 226 N 0.48 4.91 -0.35 1.79 2.96 -1.26 -0.64 118.68 126.57 2wyi s LEU 226 Ca 0.12 -0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 53.20 2wyi s LEU 226 Cb -0.12 -2.43 0.03 0.00 0.50 0.00 0.00 46.19 44.17 2wyi s LEU 226 CO 0.01 -0.69 0.15 -0.04 -1.32 0.00 0.00 176.35 174.47 2wyi s MET 227 N 2.30 2.81 -0.47 1.98 -1.94 0.26 -4.92 119.30 119.33 2wyi s MET 227 Ca 0.13 -1.07 -0.24 0.00 -1.71 0.00 0.00 55.69 52.80 2wyi s MET 227 Cb -0.18 -3.59 0.03 0.00 2.01 0.00 0.00 34.83 33.10 2wyi s MET 227 CO 0.13 -0.64 0.87 -1.64 -0.01 0.00 0.00 175.02 173.73 2wyi s MET 228 N 1.50 3.45 -1.26 2.03 -1.94 -1.26 -1.11 119.30 120.71 2wyi s MET 228 Ca 0.01 -0.00 -0.09 0.00 -1.71 0.00 0.00 55.69 53.90 2wyi s MET 228 Cb -0.19 -3.95 0.18 0.00 2.01 0.00 0.00 34.83 32.88 2wyi s MET 228 CO 0.05 -1.22 1.84 -1.71 -0.01 0.00 0.00 175.02 173.97 2wyi n ASN 229 N 7.04 5.27 0.00 3.03 4.05 0.56 -1.05 115.26 134.16 2wyi n ASN 229 Ca 0.04 -3.15 0.00 0.00 0.45 0.00 0.00 54.58 51.92 2wyi n ASN 229 Cb 0.48 -1.45 0.00 0.00 1.23 0.00 0.00 39.78 40.04 2wyi n ASN 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wyi n GLY 230 N 2.60 -1.24 0.00 8.20 0.00 -1.25 -2.20 105.19 111.30 2wyi n GLY 230 Ca 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2wyi n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wyi n ASP 232 N -1.05 3.71 -2.39 0.00 8.00 -1.26 -1.57 116.55 121.99 2wyi n ASP 232 Ca 0.00 0.94 -0.12 0.00 0.71 0.00 0.00 54.79 56.32 2wyi n ASP 232 Cb 0.00 -1.43 -0.01 0.00 -0.02 0.00 0.00 41.12 39.66 2wyi n ASP 232 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2wyi n HIS 233 N 7.04 -1.38 -2.26 1.24 8.25 0.28 -4.88 115.22 123.51 2wyi n HIS 233 Ca 0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 2wyi n HIS 233 Cb 0.34 -2.70 -0.03 0.00 1.12 0.00 0.00 29.99 28.72 2wyi n HIS 233 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2wyi s GLN 234 N -4.93 4.31 0.64 -0.41 2.00 -0.94 -5.00 119.66 115.34 2wyi s GLN 234 Ca 0.00 1.93 -0.18 0.00 -2.00 0.00 0.00 55.36 55.11 2wyi s GLN 234 Cb 0.00 -3.49 -0.01 0.00 0.80 0.00 0.00 33.01 30.30 2wyi s GLN 234 CO 0.00 -0.50 1.27 -2.14 -0.50 0.00 0.00 175.29 173.42 2wyi s PRO 235 N 2.02 2.62 0.32 1.67 0.02 -1.26 -4.70 135.00 135.70 2wyi s PRO 235 Ca 0.62 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 63.35 2wyi s PRO 235 Cb -0.31 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.24 2wyi s PRO 235 CO 0.27 -1.52 1.41 0.54 -0.33 0.00 0.00 177.00 177.36 2wyi s VAL 236 N -1.48 2.48 -0.69 3.83 0.11 -1.26 -4.93 120.40 118.46 2wyi s VAL 236 Ca 0.81 0.46 -0.27 0.00 -2.93 0.00 0.00 61.98 60.04 2wyi s VAL 236 Cb -0.35 -3.29 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 2wyi s VAL 236 CO 0.38 0.10 1.37 -1.58 -3.33 0.00 0.00 175.10 172.04 2wyi s GLN 237 N -1.46 3.15 0.53 1.54 0.74 -1.26 -4.88 119.66 118.01 2wyi s GLN 237 Ca 0.53 -0.01 0.31 0.00 0.05 0.00 0.00 55.36 56.25 2wyi s GLN 237 Cb -0.43 -4.19 1.26 0.00 1.10 0.00 0.00 33.01 30.76 2wyi s GLN 237 CO 0.53 -2.17 1.95 -0.07 -0.55 0.00 0.00 175.29 174.98 2wyi h LEU 238 N 13.44 0.00 -3.39 3.68 3.38 -1.99 -2.87 115.31 127.56 2wyi h LEU 238 Ca -0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 2wyi h LEU 238 Cb 1.07 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 2wyi h LEU 238 CO 1.25 0.06 0.02 -0.90 0.09 0.00 0.00 178.44 178.96 2wyi n ASP 239 N -3.18 3.07 -0.12 -0.43 5.75 -1.26 -4.70 116.55 115.68 2wyi n ASP 239 Ca 0.00 -3.52 -0.02 0.00 -0.01 0.00 0.00 54.79 51.25 2wyi n ASP 239 Cb 0.33 -0.63 0.22 0.00 -1.03 0.00 0.00 41.12 40.01 2wyi n ASP 239 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2wyi h VAL 240 N 1.28 1.21 -0.38 2.12 3.04 -1.89 -1.99 116.25 119.65 2wyi h VAL 240 Ca 0.19 -0.73 0.01 0.00 -1.01 0.00 0.00 66.70 65.16 2wyi h VAL 240 Cb 1.72 0.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.61 2wyi h VAL 240 CO 0.41 0.28 0.23 0.74 -1.01 0.00 0.00 177.57 178.21 2wyi h THR 241 N 0.78 1.05 -0.59 3.17 2.02 -1.86 0.13 112.91 117.61 2wyi h THR 241 Ca 0.18 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2wyi h THR 241 Cb 0.24 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2wyi h THR 241 CO -0.01 0.08 0.25 0.50 0.37 0.00 0.00 175.52 176.72 2wyi h LYS 242 N 0.46 0.85 -0.28 6.66 3.64 -1.87 -0.86 116.57 125.17 2wyi h LYS 242 Ca 0.15 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 2wyi h LYS 242 Cb -0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2wyi h LYS 242 CO -0.06 0.69 -0.30 0.00 -2.27 0.00 0.00 179.45 177.51 2wyi h ALA 243 N 1.43 0.95 -0.27 5.00 0.00 -0.60 -1.89 119.26 123.88 2wyi h ALA 243 Ca 0.20 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2wyi h ALA 243 Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wyi h ALA 243 CO -0.02 0.61 -0.28 0.82 0.00 0.00 0.00 179.25 180.38 2wyi h ILE 244 N 0.50 1.31 -0.71 0.00 2.04 -0.41 -2.25 117.51 117.99 2wyi h ILE 244 Ca 0.06 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.50 2wyi h ILE 244 Cb 0.77 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 2wyi h ILE 244 CO 0.06 0.46 0.44 0.00 0.00 0.00 0.00 178.15 179.12 2wyi h ALA 245 N 0.69 0.93 -0.48 1.87 0.00 -1.06 -1.16 119.26 120.04 2wyi h ALA 245 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2wyi h ALA 245 Cb 0.85 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2wyi h ALA 245 CO 0.07 0.22 0.15 1.25 0.00 0.00 0.00 179.25 180.95 2wyi h LEU 246 N 0.87 0.70 -0.94 0.00 5.85 -1.33 -2.40 115.31 118.07 2wyi h LEU 246 Ca 0.28 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2wyi h LEU 246 Cb 0.02 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2wyi h LEU 246 CO -0.11 0.72 0.60 0.00 -0.34 0.00 0.00 178.44 179.31 2wyi h ALA 247 N 1.01 1.27 -0.05 1.25 0.00 -0.91 -1.31 119.26 120.52 2wyi h ALA 247 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2wyi h ALA 247 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wyi h ALA 247 CO -0.01 0.41 -0.39 -0.91 0.00 0.00 0.00 179.25 178.36 2wyi h ASN 248 N 1.12 0.11 1.15 0.00 2.35 -1.02 -2.04 115.58 117.25 2wyi h ASN 248 Ca 0.39 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 56.03 2wyi h ASN 248 Cb 0.10 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2wyi h ASN 248 CO -0.15 0.50 -0.33 -0.61 -1.65 0.00 0.00 177.43 175.18 2wyi h GLN 249 N 0.09 0.00 0.00 0.81 4.15 -0.84 -3.34 115.11 115.97 2wyi h GLN 249 Ca 0.01 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.24 2wyi h GLN 249 Cb 0.74 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 2wyi h GLN 249 CO 0.06 0.33 -1.95 1.28 -1.93 0.00 0.00 178.83 176.62 2wyi n LEU 250 N -3.35 0.27 -3.67 -2.39 4.77 -0.57 -4.73 117.00 107.33 2wyi n LEU 250 Ca 0.01 0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.82 2wyi n LEU 250 Cb 0.55 0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.72 2wyi n LEU 250 CO 0.36 0.22 -0.24 -0.31 -1.33 0.00 0.00 177.39 176.10 2wyi s TYR 251 N -2.96 1.94 0.36 -1.77 2.02 -0.80 -4.96 117.35 111.18 2wyi s TYR 251 Ca -0.07 -2.44 0.36 0.00 -0.37 0.00 0.00 57.07 54.55 2wyi s TYR 251 Cb 0.09 -1.78 1.76 0.00 -0.40 0.00 0.00 41.96 41.64 2wyi s TYR 251 CO 0.85 -0.77 2.14 -1.35 -1.57 0.00 0.00 175.55 174.85 2wyi h PRO 252 N 6.49 0.00 -0.00 -1.71 0.11 -1.85 -1.77 132.00 133.27 2wyi h PRO 252 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2wyi h PRO 252 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2wyi h PRO 252 CO 0.48 0.03 -0.04 -3.47 -0.21 0.00 0.00 178.00 174.78 2wyi n ASP 253 N -3.19 0.06 -4.15 -2.05 2.03 -1.26 -4.18 116.55 103.80 2wyi n ASP 253 Ca -0.01 0.17 -0.30 0.00 0.52 0.00 0.00 54.79 55.16 2wyi n ASP 253 Cb 0.21 -0.35 -0.17 0.00 -0.72 0.00 0.00 41.12 40.09 2wyi n ASP 253 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2wyi s TYR 254 N -2.82 2.33 -0.84 -0.67 2.02 -0.67 -2.10 117.35 114.59 2wyi s TYR 254 Ca 0.20 -1.02 -0.20 0.00 -0.37 0.00 0.00 57.07 55.68 2wyi s TYR 254 Cb 0.19 -1.59 0.11 0.00 -0.40 0.00 0.00 41.96 40.27 2wyi s TYR 254 CO 0.51 -0.45 1.07 -2.00 -1.57 0.00 0.00 175.55 173.11 2wyi s GLU 255 N 0.59 3.44 -0.32 -0.62 2.12 0.27 -4.81 118.70 119.38 2wyi s GLU 255 Ca -0.14 -1.49 -0.28 0.00 0.36 0.00 0.00 54.97 53.42 2wyi s GLU 255 Cb -0.17 -4.71 0.01 0.00 0.26 0.00 0.00 34.13 29.53 2wyi s GLU 255 CO 0.04 -1.78 1.03 -0.06 -0.54 0.00 0.00 175.26 173.95 2wyi s PHE 256 N 3.09 3.15 -0.02 5.30 0.08 -1.26 -0.21 117.98 128.11 2wyi s PHE 256 Ca 0.29 1.12 0.03 0.00 0.12 0.00 0.00 56.93 58.50 2wyi s PHE 256 Cb -0.09 -3.63 -0.00 0.00 -0.57 0.00 0.00 43.02 38.73 2wyi s PHE 256 CO -0.04 -0.74 -0.10 0.14 -0.10 0.00 0.00 175.22 174.38 2wyi s VAL 257 N 3.55 0.84 -0.13 -0.44 -7.23 -0.25 -4.92 120.40 111.82 2wyi s VAL 257 Ca 0.43 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 2wyi s VAL 257 Cb -0.12 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.06 2wyi s VAL 257 CO 0.15 0.25 1.51 -2.28 -0.31 0.00 0.00 175.10 174.41 2wyi s HIS 258 N -0.09 2.31 0.39 2.82 2.46 -1.26 -1.12 115.29 120.81 2wyi s HIS 258 Ca 0.01 0.55 0.04 0.00 0.47 0.00 0.00 55.06 56.14 2wyi s HIS 258 Cb -0.06 -3.79 -0.02 0.00 -0.13 0.00 0.00 32.58 28.58 2wyi s HIS 258 CO -0.00 -2.91 0.16 0.45 -2.47 0.00 0.00 174.74 169.98 2wyi s SER 259 N 3.02 2.54 0.19 9.88 0.15 0.60 -4.81 113.70 125.27 2wyi s SER 259 Ca 0.66 -1.70 0.01 0.00 0.70 0.00 0.00 55.95 55.62 2wyi s SER 259 Cb -0.27 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 64.53 2wyi s SER 259 CO 0.24 -0.97 0.04 0.00 1.20 0.00 0.00 173.24 173.75 2wyi h PHE 261 N 2.63 1.10 -0.49 0.00 0.04 -1.98 -1.95 116.94 116.27 2wyi h PHE 261 Ca -0.37 -0.08 0.05 0.00 2.80 0.00 0.00 57.97 60.37 2wyi h PHE 261 Cb 1.22 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 2wyi h PHE 261 CO 0.49 0.84 0.24 1.49 -0.60 0.00 0.00 178.31 180.77 2wyi h GLU 262 N 1.05 0.45 -0.47 1.51 4.81 -1.97 0.28 114.58 120.25 2wyi h GLU 262 Ca 0.24 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 2wyi h GLU 262 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2wyi h GLU 262 CO -0.02 0.30 -0.20 -0.44 -0.73 0.00 0.00 179.01 177.93 2wyi h ASP 263 N 0.47 0.96 -0.47 1.04 3.32 -1.94 -1.94 116.42 117.86 2wyi h ASP 263 Ca 0.22 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2wyi h ASP 263 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2wyi h ASP 263 CO -0.17 1.12 0.09 0.22 -1.72 0.00 0.00 179.24 178.79 2wyi h TYR 264 N 0.82 0.81 -0.88 4.55 3.20 -0.75 -1.73 116.97 123.00 2wyi h TYR 264 Ca 0.11 -0.11 0.02 0.00 3.14 0.00 0.00 58.73 61.90 2wyi h TYR 264 Cb 0.76 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 2wyi h TYR 264 CO 0.05 0.75 0.58 -0.07 -1.64 0.00 0.00 178.16 177.82 2wyi h LEU 265 N 0.64 0.98 -0.49 2.82 3.38 -0.38 -1.90 115.31 120.37 2wyi h LEU 265 Ca 0.15 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2wyi h LEU 265 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2wyi h LEU 265 CO 0.01 0.69 -0.49 0.00 0.09 0.00 0.00 178.44 178.74 2wyi h ALA 266 N 1.47 0.66 -0.25 1.53 0.00 -0.99 -1.71 119.26 119.98 2wyi h ALA 266 Ca 0.33 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2wyi h ALA 266 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2wyi h ALA 266 CO -0.09 0.68 -0.39 -0.44 0.00 0.00 0.00 179.25 179.01 2wyi h ASP 267 N 0.54 0.61 0.45 0.00 5.19 -1.15 -2.65 116.42 119.41 2wyi h ASP 267 Ca 0.03 -0.27 -0.06 0.00 -0.62 0.00 0.00 57.03 56.11 2wyi h ASP 267 Cb 1.05 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 2wyi h ASP 267 CO 0.10 0.94 -0.28 -0.07 -3.12 0.00 0.00 179.24 176.81 2wyi h LEU 268 N 0.48 0.00 -1.14 1.55 3.38 -1.22 -2.87 115.31 115.48 2wyi h LEU 268 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2wyi h LEU 268 Cb 0.90 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2wyi h LEU 268 CO 0.08 0.28 0.29 0.00 0.09 0.00 0.00 178.44 179.17 2wyi h ALA 269 N 1.72 1.33 0.14 1.53 0.00 -0.94 -2.00 119.26 121.05 2wyi h ALA 269 Ca -0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 2wyi h ALA 269 Cb 0.58 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 18.14 2wyi h ALA 269 CO 0.04 0.52 -1.28 -0.44 0.00 0.00 0.00 179.25 178.09 2wyi h ASP 270 N 0.88 0.76 -0.16 0.00 3.32 -1.47 -3.39 116.42 116.36 2wyi h ASP 270 Ca 0.22 -0.74 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2wyi h ASP 270 Cb 0.11 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wyi h ASP 270 CO -0.03 1.56 0.00 0.47 -1.72 0.00 0.00 179.24 179.52 2wyi n ASP 271 N -3.72 2.31 -4.72 6.45 8.00 -1.10 -5.02 116.55 118.74 2wyi n ASP 271 Ca -0.13 -1.80 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 2wyi n ASP 271 Cb 1.01 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 2wyi n ASP 271 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2wyi s LEU 272 N -0.89 4.40 0.67 0.64 2.96 -0.76 -4.77 118.68 120.94 2wyi s LEU 272 Ca 0.13 1.88 -0.11 0.00 -0.22 0.00 0.00 54.13 55.81 2wyi s LEU 272 Cb 0.07 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.17 2wyi s LEU 272 CO 0.10 -0.31 1.07 -2.16 -1.32 0.00 0.00 176.35 173.72 2wyi s PRO 273 N 0.68 3.17 0.00 0.98 0.05 -1.26 -4.98 135.00 133.63 2wyi s PRO 273 Ca 0.53 0.62 0.29 0.00 0.05 0.00 0.00 61.00 62.49 2wyi s PRO 273 Cb -0.26 -2.04 1.19 0.00 0.05 0.00 0.00 34.50 33.43 2wyi s PRO 273 CO 0.30 -0.85 1.85 0.39 0.05 0.00 0.00 177.00 178.74 2wyi n GLU 274 N -2.91 0.38 -1.25 4.56 -0.58 -1.26 -4.07 120.64 115.50 2wyi n GLU 274 Ca 0.07 -0.10 -0.26 0.00 -0.42 0.00 0.00 57.16 56.44 2wyi n GLU 274 Cb 0.56 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 30.08 2wyi n GLU 274 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2wyi n ASN 275 N -1.22 4.63 -4.74 1.62 6.94 -1.26 -4.99 115.26 116.24 2wyi n ASN 275 Ca 0.11 -3.65 -0.41 0.00 -0.02 0.00 0.00 54.58 50.61 2wyi n ASN 275 Cb 0.29 -0.87 -0.03 0.00 -2.36 0.00 0.00 39.78 36.82 2wyi n ASN 275 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wyi s LEU 276 N -3.42 4.39 0.44 -4.53 1.43 -1.26 -4.99 118.68 110.74 2wyi s LEU 276 Ca 0.59 2.58 -0.23 0.00 -1.03 0.00 0.00 54.13 56.04 2wyi s LEU 276 Cb 0.49 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 2wyi s LEU 276 CO 0.08 -0.65 1.09 -0.94 0.23 0.00 0.00 176.35 176.16 2wyi s SER 277 N 0.37 6.47 -0.14 2.29 1.04 -1.26 -4.72 113.70 117.75 2wyi s SER 277 Ca 0.59 2.12 -0.06 0.00 0.48 0.00 0.00 55.95 59.07 2wyi s SER 277 Cb -0.40 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.09 2wyi s SER 277 CO 0.41 -0.70 0.08 -0.89 0.98 0.00 0.00 173.24 173.12 2wyi s THR 278 N -1.67 4.96 -0.16 2.02 2.01 -1.26 -1.77 115.64 119.78 2wyi s THR 278 Ca 0.62 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.59 2wyi s THR 278 Cb -0.23 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2wyi s THR 278 CO 0.29 0.54 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.04 2wyi s VAL 279 N -0.37 3.96 -0.26 3.82 1.01 -0.08 -4.96 120.40 123.52 2wyi s VAL 279 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2wyi s VAL 279 Cb -0.12 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2wyi s VAL 279 CO 0.02 0.49 0.10 -1.58 0.00 0.00 0.00 175.10 174.12 2wyi s GLN 280 N 0.35 3.70 4.02 2.72 2.00 -1.26 -1.04 119.66 130.14 2wyi s GLN 280 Ca -0.04 -0.46 0.00 0.00 -2.00 0.00 0.00 55.36 52.87 2wyi s GLN 280 Cb -0.14 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.27 2wyi s GLN 280 CO 0.03 -0.20 0.00 0.41 -0.50 0.00 0.00 175.29 175.03 2wyi n GLY 281 N 4.95 0.67 3.77 2.59 0.00 -0.25 -4.88 105.19 112.05 2wyi n GLY 281 Ca -0.16 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 2wyi n GLY 281 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wyi s GLU 282 N 0.00 4.31 -0.43 1.61 -1.05 -1.26 -4.54 118.70 117.34 2wyi s GLU 282 Ca 0.00 1.70 -0.03 0.00 -0.15 0.00 0.00 54.97 56.49 2wyi s GLU 282 Cb 0.00 -2.81 0.12 0.00 -0.44 0.00 0.00 34.13 30.99 2wyi s GLU 282 CO 0.00 -0.06 0.23 0.42 0.95 0.00 0.00 175.26 176.80 2wyi s ILE 283 N -1.41 3.32 -0.14 1.83 1.01 -0.68 -4.92 121.20 120.21 2wyi s ILE 283 Ca 0.53 -2.16 0.15 0.00 0.00 0.00 0.00 60.65 59.17 2wyi s ILE 283 Cb -0.28 -3.27 0.32 0.00 0.01 0.00 0.00 42.46 39.24 2wyi s ILE 283 CO 0.35 -0.71 1.16 0.35 0.00 0.00 0.00 174.94 176.09 2wyi n THR 284 N 4.46 1.78 -2.81 2.92 -2.24 -1.26 -0.65 114.28 116.49 2wyi n THR 284 Ca -0.01 -2.37 -0.15 0.00 -2.27 0.00 0.00 64.05 59.25 2wyi n THR 284 Cb 0.41 -0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.53 2wyi n THR 284 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wyi n SER 285 N -1.16 -4.72 -0.17 3.42 7.64 -1.26 -4.92 113.62 112.45 2wyi n SER 285 Ca 0.15 -0.21 0.11 0.00 1.01 0.00 0.00 58.87 59.93 2wyi n SER 285 Cb 0.68 -3.56 0.42 0.00 -1.01 0.00 0.00 64.21 60.74 2wyi n SER 285 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2wyi h GLN 286 N -1.01 0.58 -2.01 1.43 7.50 -1.93 -3.14 115.11 116.52 2wyi h GLN 286 Ca -0.37 -0.03 -0.74 0.00 0.50 0.00 0.00 58.65 58.01 2wyi h GLN 286 Cb 1.25 -0.13 -0.30 0.00 0.05 0.00 0.00 27.48 28.35 2wyi h GLN 286 CO 0.39 0.38 0.70 0.39 -1.50 0.00 0.00 178.83 179.19 2wyi n GLU 287 N -4.49 3.51 -4.36 1.46 1.02 -1.26 -4.46 120.64 112.05 2wyi n GLU 287 Ca 0.13 -4.01 -0.24 0.00 -0.02 0.00 0.00 57.16 53.02 2wyi n GLU 287 Cb 0.37 -2.31 -0.07 0.00 -0.02 0.00 0.00 31.44 29.41 2wyi n GLU 287 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2wyi n THR 288 N -0.40 0.00 0.30 2.62 -2.24 -1.19 -4.96 114.28 108.41 2wyi n THR 288 Ca 0.49 -2.39 0.15 0.00 -2.27 0.00 0.00 64.05 60.03 2wyi n THR 288 Cb 0.31 0.94 0.70 0.00 -2.10 0.00 0.00 70.33 70.19 2wyi n THR 288 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2wyi h ASP 289 N 1.73 0.00 0.00 3.42 3.04 -1.89 -3.05 116.42 119.67 2wyi h ASP 289 Ca -0.30 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2wyi h ASP 289 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 2wyi h ASP 289 CO 0.46 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.27 2wyi n GLY 290 N -0.52 0.68 0.02 7.15 0.00 -1.26 0.77 105.19 112.02 2wyi n GLY 290 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2wyi n GLY 290 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wyi n TRP 291 N -2.60 0.15 -2.43 1.61 7.02 -1.26 -4.41 117.44 115.51 2wyi n TRP 291 Ca 0.00 0.04 -0.04 0.00 -1.02 0.00 0.00 57.50 56.48 2wyi n TRP 291 Cb 0.00 -0.30 0.05 0.00 -2.42 0.00 0.00 31.31 28.64 2wyi n TRP 291 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 2wyi n TYR 292 N -1.75 1.23 0.09 -5.99 4.01 -1.26 -4.70 117.16 108.78 2wyi n TYR 292 Ca 0.03 -1.76 0.00 0.00 -0.16 0.00 0.00 57.90 56.02 2wyi n TYR 292 Cb 0.39 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2wyi n TYR 292 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wyi h THR 293 N 4.52 0.79 -0.80 -0.72 1.35 -1.93 -3.48 112.91 112.65 2wyi h THR 293 Ca -0.02 -2.24 -0.25 0.00 -0.55 0.00 0.00 66.41 63.35 2wyi h THR 293 Cb 1.43 2.30 -0.08 0.00 -1.73 0.00 0.00 68.15 70.07 2wyi h THR 293 CO 0.29 0.45 -0.24 0.18 -0.25 0.00 0.00 175.52 175.94 2wyi n LEU 294 N -3.10 -1.01 0.23 3.87 4.77 -1.26 -4.73 117.00 115.77 2wyi n LEU 294 Ca -0.03 0.25 0.08 0.00 -0.03 0.00 0.00 56.01 56.27 2wyi n LEU 294 Cb 0.80 -1.90 0.56 0.00 -2.33 0.00 0.00 43.42 40.56 2wyi n LEU 294 CO 0.42 -0.55 0.89 0.00 -1.33 0.00 0.00 177.39 176.83 2wyi h ALA 295 N 0.11 1.47 0.00 -1.18 0.00 -1.91 -1.75 119.26 116.01 2wyi h ALA 295 Ca -0.26 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wyi h ALA 295 Cb 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2wyi h ALA 295 CO 0.36 0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.95 2wyi n ASN 296 N -4.01 0.00 0.27 0.00 5.03 -1.18 -0.93 115.26 114.44 2wyi n ASN 296 Ca -0.02 0.36 0.18 0.00 0.87 0.00 0.00 54.58 55.96 2wyi n ASN 296 Cb 0.27 -0.37 0.93 0.00 -1.02 0.00 0.00 39.78 39.59 2wyi n ASN 296 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2wyi h THR 297 N 0.00 0.32 -0.03 3.41 1.35 -1.27 -1.65 112.91 115.04 2wyi h THR 297 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 2wyi h THR 297 Cb 0.03 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2wyi h THR 297 CO 0.00 0.00 0.03 0.00 -0.25 0.00 0.00 175.52 175.30 2wyi h ALA 298 N 1.81 1.73 -0.01 6.62 0.00 -1.28 -2.91 119.26 125.23 2wyi h ALA 298 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wyi h ALA 298 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wyi h ALA 298 CO -0.00 -0.05 -0.01 -1.13 0.00 0.00 0.00 179.25 178.06 2wyi n SER 299 N -4.07 1.29 -4.72 0.00 3.41 -0.65 -4.16 113.62 104.72 2wyi n SER 299 Ca -0.02 -1.15 -0.42 0.00 -0.26 0.00 0.00 58.87 57.02 2wyi n SER 299 Cb 0.12 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 2wyi n SER 299 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wyi s ALA 300 N -0.41 3.70 -1.10 7.33 0.00 -1.04 -3.82 121.76 126.41 2wyi s ALA 300 Ca 0.05 1.28 -0.22 0.00 0.00 0.00 0.00 51.96 53.07 2wyi s ALA 300 Cb 0.04 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.58 2wyi s ALA 300 CO 0.06 -0.71 0.73 0.54 0.00 0.00 0.00 175.76 176.37 2wyi n ARG 301 N 3.81 -0.94 -0.14 0.00 1.74 -1.26 -4.64 116.66 115.23 2wyi n ARG 301 Ca 0.12 0.43 0.13 0.00 -0.77 0.00 0.00 57.85 57.77 2wyi n ARG 301 Cb 0.40 -3.42 0.49 0.00 -1.02 0.00 0.00 32.46 28.90 2wyi n ARG 301 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wyi h ILE 302 N -1.79 0.85 -0.74 0.55 2.04 -1.89 0.56 117.51 117.08 2wyi h ILE 302 Ca -0.64 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 65.26 2wyi h ILE 302 Cb 1.36 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 2wyi h ILE 302 CO 0.47 0.08 0.52 0.10 0.00 0.00 0.00 178.15 179.32 2wyi h TYR 303 N 0.45 0.17 -0.44 1.37 -0.00 -1.92 0.15 116.97 116.76 2wyi h TYR 303 Ca 0.34 0.01 -0.09 0.00 0.00 0.00 0.00 58.73 58.98 2wyi h TYR 303 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 37.36 2wyi h TYR 303 CO -0.00 0.06 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.07 2wyi h LEU 304 N 0.14 0.82 -0.60 0.10 3.38 -1.20 -1.27 115.31 116.68 2wyi h LEU 304 Ca 0.36 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2wyi h LEU 304 Cb 1.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2wyi h LEU 304 CO -0.05 0.98 -0.36 0.11 0.09 0.00 0.00 178.44 179.21 2wyi h LYS 305 N 0.65 0.72 -0.34 1.13 6.56 -0.84 -0.44 116.57 124.01 2wyi h LYS 305 Ca 0.11 -0.35 0.01 0.00 -1.06 0.00 0.00 60.65 59.37 2wyi h LYS 305 Cb 0.60 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.24 2wyi h LYS 305 CO 0.04 0.96 0.20 1.96 -2.06 0.00 0.00 179.45 180.55 2wyi h GLN 306 N 0.60 0.41 -0.47 3.15 4.20 -0.99 -0.76 115.11 121.24 2wyi h GLN 306 Ca 0.06 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2wyi h GLN 306 Cb 0.89 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 2wyi h GLN 306 CO 0.08 0.27 0.15 0.00 -0.67 0.00 0.00 178.83 178.65 2wyi h ALA 307 N 1.14 0.62 -0.94 3.87 0.00 -0.79 -1.00 119.26 122.16 2wyi h ALA 307 Ca 0.13 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wyi h ALA 307 Cb -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 2wyi h ALA 307 CO -0.05 0.27 0.61 -0.97 0.00 0.00 0.00 179.25 179.11 2wyi h ASN 308 N 0.63 1.01 -0.48 0.00 -1.24 -0.92 -1.20 115.58 113.38 2wyi h ASN 308 Ca 0.15 -0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.08 2wyi h ASN 308 Cb 0.27 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 2wyi h ASN 308 CO -0.00 0.68 -0.00 0.74 -1.29 0.00 0.00 177.43 177.56 2wyi h THR 309 N 1.17 1.26 -0.15 -3.57 2.02 -0.73 -0.49 112.91 112.43 2wyi h THR 309 Ca 0.38 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.53 2wyi h THR 309 Cb 0.03 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 2wyi h THR 309 CO -0.13 0.37 -0.12 -0.09 0.37 0.00 0.00 175.52 175.93 2wyi h ARG 310 N 0.71 -0.12 -0.21 6.66 2.43 -0.44 -1.29 114.38 122.11 2wyi h ARG 310 Ca 0.14 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 2wyi h ARG 310 Cb 0.51 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2wyi h ARG 310 CO 0.03 -0.08 -0.56 0.28 -1.51 0.00 0.00 179.97 178.13 2wyi h VAL 311 N -0.13 1.31 -0.08 0.20 2.07 -1.17 -1.71 116.25 116.75 2wyi h VAL 311 Ca 0.09 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 2wyi h VAL 311 Cb 0.26 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2wyi h VAL 311 CO -0.23 0.56 0.03 0.28 0.02 0.00 0.00 177.57 178.23 2wyi h SER 312 N 0.48 0.11 -0.54 0.57 0.02 -0.84 -0.47 113.55 112.88 2wyi h SER 312 Ca 0.01 -0.19 0.07 0.00 -0.84 0.00 0.00 61.79 60.83 2wyi h SER 312 Cb 1.12 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 2wyi h SER 312 CO 0.11 0.28 0.21 0.03 -1.14 0.00 0.00 176.83 176.32 2wyi h ARG 313 N -0.06 0.40 -0.16 3.45 2.47 -1.26 0.62 114.38 119.83 2wyi h ARG 313 Ca 0.03 -0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2wyi h ARG 313 Cb 0.20 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.38 2wyi h ARG 313 CO -0.00 0.26 -0.19 0.37 0.56 0.00 0.00 179.97 180.97 2wyi h GLN 314 N 0.41 -0.22 -0.00 0.04 5.75 -0.86 0.16 115.11 120.39 2wyi h GLN 314 Ca 0.26 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 2wyi h GLN 314 Cb 0.26 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.86 2wyi h GLN 314 CO -0.24 -0.15 -0.01 -0.07 -2.65 0.00 0.00 178.83 175.71 2wyi h LEU 315 N -0.23 0.01 -0.24 -2.39 3.38 -0.88 0.15 115.31 115.11 2wyi h LEU 315 Ca 0.11 -0.58 -0.21 0.00 0.09 0.00 0.00 57.88 57.28 2wyi h LEU 315 Cb 0.39 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wyi h LEU 315 CO -0.30 0.59 -0.81 -0.33 0.09 0.00 0.00 178.44 177.69 2wyi h GLU 316 N -0.57 0.57 -0.00 1.13 5.08 -0.83 -2.31 114.58 117.66 2wyi h GLU 316 Ca 0.00 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2wyi h GLU 316 Cb 0.59 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2wyi h GLU 316 CO 0.00 1.13 -0.12 0.09 -1.00 0.00 0.00 179.01 179.11 2wyi n ASN 317 N -3.86 0.16 0.02 1.42 4.13 0.55 -4.40 115.26 113.28 2wyi n ASN 317 Ca -0.06 -0.58 -0.01 0.00 1.68 0.00 0.00 54.58 55.61 2wyi n ASN 317 Cb 0.76 0.96 -0.00 0.00 -1.54 0.00 0.00 39.78 39.96 2wyi n ASN 317 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wyi n ILE 318 N -1.01 1.01 0.41 2.41 5.41 -1.06 -4.62 119.36 121.91 2wyi n ILE 318 Ca 0.01 0.31 -0.18 0.00 1.00 0.00 0.00 62.75 63.89 2wyi n ILE 318 Cb 0.04 -1.56 -0.09 0.00 -0.71 0.00 0.00 39.64 37.32 2wyi n ILE 318 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2wyi h THR 319 N -0.11 0.14 -0.21 1.39 2.02 -1.09 -2.35 112.91 112.71 2wyi h THR 319 Ca 0.00 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.05 2wyi h THR 319 Cb 0.11 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2wyi h THR 319 CO 0.00 0.01 0.11 -0.33 0.37 0.00 0.00 175.52 175.68 2wyi h GLU 320 N -1.18 0.22 -0.73 6.66 5.08 -1.64 0.11 114.58 123.11 2wyi h GLU 320 Ca -0.11 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2wyi h GLU 320 Cb 0.82 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2wyi h GLU 320 CO 0.18 0.15 0.23 -1.35 -1.00 0.00 0.00 179.01 177.22 2wyi h PRO 321 N 0.23 1.13 -0.04 2.33 0.11 -1.53 0.40 132.00 134.63 2wyi h PRO 321 Ca 0.08 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 2wyi h PRO 321 Cb 0.01 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 2wyi h PRO 321 CO -0.05 0.96 0.02 -0.07 -0.21 0.00 0.00 178.00 178.65 2wyi h LEU 322 N 1.09 0.05 -1.39 2.35 3.38 -1.15 -1.63 115.31 118.02 2wyi h LEU 322 Ca 0.24 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2wyi h LEU 322 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2wyi h LEU 322 CO -0.01 0.10 -0.30 0.00 0.09 0.00 0.00 178.44 178.32 2wyi h ALA 323 N 0.95 1.36 -0.60 1.53 0.00 -0.42 -0.47 119.26 121.60 2wyi h ALA 323 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2wyi h ALA 323 Cb 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2wyi h ALA 323 CO -0.00 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.69 2wyi h ALA 324 N 1.70 0.96 0.14 0.00 0.00 0.16 -2.64 119.26 119.58 2wyi h ALA 324 Ca -0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 2wyi h ALA 324 Cb 0.59 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wyi h ALA 324 CO 0.04 0.64 -1.26 0.52 0.00 0.00 0.00 179.25 179.19 2wyi h MET 325 N 0.94 0.46 0.00 0.00 2.86 -0.69 -3.27 114.93 115.24 2wyi h MET 325 Ca 0.18 -0.69 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 2wyi h MET 325 Cb 0.46 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 2wyi h MET 325 CO 0.02 1.31 -0.09 0.00 1.06 0.00 0.00 176.91 179.20 2wyi h ALA 326 N 0.41 1.54 -0.87 6.32 0.00 -1.03 -1.97 119.26 123.67 2wyi h ALA 326 Ca -0.17 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.81 2wyi h ALA 326 Cb 1.95 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.63 2wyi h ALA 326 CO 0.23 0.11 0.45 -0.92 0.00 0.00 0.00 179.25 179.12 2wyi h TYR 327 N 0.00 0.78 0.00 0.00 3.20 -1.52 0.11 116.97 119.55 2wyi h TYR 327 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2wyi h TYR 327 Cb 0.20 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2wyi h TYR 327 CO 0.00 0.17 0.27 1.49 -1.64 0.00 0.00 178.16 178.44 2wyi h GLU 328 N 0.62 0.00 0.00 1.82 4.81 -1.54 0.32 114.58 120.60 2wyi h GLU 328 Ca 0.48 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.47 2wyi h GLU 328 Cb 0.72 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 2wyi h GLU 328 CO -0.38 0.00 -1.90 0.28 -0.73 0.00 0.00 179.01 176.28 2wyi n VAL 329 N -2.87 0.91 0.39 0.32 0.31 0.22 -4.71 118.33 112.89 2wyi n VAL 329 Ca -0.02 -0.41 0.09 0.00 -0.01 0.00 0.00 64.34 63.99 2wyi n VAL 329 Cb 0.32 -0.94 -0.12 0.00 -0.91 0.00 0.00 33.84 32.18 2wyi n VAL 329 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2wyi n THR 330 N -2.81 0.00 -1.73 2.52 -2.24 -0.20 -4.97 114.28 104.84 2wyi n THR 330 Ca -0.26 -0.26 -0.19 0.00 -2.27 0.00 0.00 64.05 61.07 2wyi n THR 330 Cb 0.84 0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 69.51 2wyi n THR 330 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2wyi n SER 331 N -1.81 -5.13 -3.98 3.42 7.64 0.11 -4.96 113.62 108.91 2wyi n SER 331 Ca -0.00 0.38 -0.08 0.00 1.01 0.00 0.00 58.87 60.18 2wyi n SER 331 Cb 0.39 -4.51 -0.09 0.00 -1.01 0.00 0.00 64.21 58.99 2wyi n SER 331 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2wyi s THR 332 N -2.69 0.17 -0.18 0.44 -1.32 -1.26 -5.08 115.64 105.72 2wyi s THR 332 Ca 0.00 -1.37 -0.12 0.00 -1.21 0.00 0.00 61.69 58.98 2wyi s THR 332 Cb 0.00 -1.18 0.05 0.00 -1.51 0.00 0.00 72.50 69.86 2wyi s THR 332 CO 0.00 -0.76 0.44 -0.47 -2.21 0.00 0.00 174.62 171.62 2wyi s TYR 333 N -3.29 -0.58 -1.38 9.09 5.04 -1.26 -4.24 117.35 120.74 2wyi s TYR 333 Ca 0.01 1.30 -0.13 0.00 -2.44 0.00 0.00 57.07 55.80 2wyi s TYR 333 Cb 0.03 0.24 0.08 0.00 0.35 0.00 0.00 41.96 42.67 2wyi s TYR 333 CO -0.08 -0.31 2.03 -0.35 -1.34 0.00 0.00 175.55 175.51 2wyi n PRO 334 N 3.63 3.12 0.12 4.97 -0.04 -1.26 -4.77 135.00 140.77 2wyi n PRO 334 Ca -0.19 -2.99 -0.13 0.00 -0.04 0.00 0.00 63.50 60.15 2wyi n PRO 334 Cb 0.56 -3.21 -0.08 0.00 -0.04 0.00 0.00 33.50 30.73 2wyi n PRO 334 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2wyi h HIS 335 N 6.20 -0.28 -0.57 0.54 3.86 -1.98 -1.52 115.15 121.40 2wyi h HIS 335 Ca 0.50 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.78 2wyi h HIS 335 Cb 0.68 0.09 -0.06 0.00 1.06 0.00 0.00 27.41 29.18 2wyi h HIS 335 CO 1.38 0.01 0.22 -0.44 0.86 0.00 0.00 177.93 179.96 2wyi h ASP 336 N -0.57 0.24 -0.25 2.45 3.32 -1.99 0.45 116.42 120.07 2wyi h ASP 336 Ca -0.03 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 2wyi h ASP 336 Cb 0.42 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2wyi h ASP 336 CO 0.05 0.16 -0.09 1.56 -1.72 0.00 0.00 179.24 179.20 2wyi h GLN 337 N 0.41 0.63 -0.23 3.56 7.50 -1.95 -1.33 115.11 123.71 2wyi h GLN 337 Ca 0.28 -0.18 -0.16 0.00 0.50 0.00 0.00 58.65 59.09 2wyi h GLN 337 Cb 0.30 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.76 2wyi h GLN 337 CO -0.26 0.71 -0.49 -0.07 -1.50 0.00 0.00 178.83 177.21 2wyi h LEU 338 N 0.58 0.68 -0.56 1.46 3.38 -0.63 -0.76 115.31 119.46 2wyi h LEU 338 Ca 0.11 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2wyi h LEU 338 Cb 0.50 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wyi h LEU 338 CO 0.03 1.06 0.22 -0.09 0.09 0.00 0.00 178.44 179.75 2wyi h ARG 339 N 0.49 0.84 -0.85 1.13 2.43 -0.70 0.01 114.38 117.73 2wyi h ARG 339 Ca 0.02 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2wyi h ARG 339 Cb 1.04 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2wyi h ARG 339 CO 0.10 0.73 0.46 -0.92 -1.51 0.00 0.00 179.97 178.83 2wyi h TYR 340 N 0.77 1.16 -0.12 2.20 3.20 -0.98 -0.60 116.97 122.60 2wyi h TYR 340 Ca 0.19 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2wyi h TYR 340 Cb 0.20 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 2wyi h TYR 340 CO 0.01 0.80 -0.09 0.00 -1.64 0.00 0.00 178.16 177.24 2wyi h ALA 341 N 1.32 0.17 -0.53 1.82 0.00 -0.84 -2.01 119.26 119.19 2wyi h ALA 341 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wyi h ALA 341 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2wyi h ALA 341 CO -0.05 -0.00 0.25 -1.49 0.00 0.00 0.00 179.25 177.96 2wyi h TRP 342 N -0.11 0.76 -0.94 0.00 4.06 -0.87 0.62 115.95 119.47 2wyi h TRP 342 Ca 0.02 -0.04 0.01 0.00 2.06 0.00 0.00 58.89 60.94 2wyi h TRP 342 Cb 0.59 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 28.47 2wyi h TRP 342 CO 0.08 0.59 0.62 0.87 -3.56 0.00 0.00 178.44 177.04 2wyi h LYS 343 N 0.70 1.24 -0.28 0.49 1.57 -1.14 0.10 116.57 119.25 2wyi h LYS 343 Ca 0.18 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2wyi h LYS 343 Cb 0.12 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2wyi h LYS 343 CO -0.02 0.83 -0.01 1.15 -0.57 0.00 0.00 179.45 180.82 2wyi h THR 344 N 1.28 1.26 -0.51 -0.16 2.02 -0.87 -1.90 112.91 114.03 2wyi h THR 344 Ca 0.34 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 2wyi h THR 344 Cb -0.14 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2wyi h THR 344 CO -0.07 0.31 0.31 0.25 0.37 0.00 0.00 175.52 176.68 2wyi h LEU 345 N 0.29 0.61 -0.41 2.58 5.85 -0.58 -2.99 115.31 120.66 2wyi h LEU 345 Ca 0.08 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wyi h LEU 345 Cb 0.45 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2wyi h LEU 345 CO 0.02 0.48 0.00 0.23 -0.34 0.00 0.00 178.44 178.83 2wyi n MET 346 N -4.69 0.21 0.08 1.25 2.81 0.33 -1.10 117.12 116.01 2wyi n MET 346 Ca 0.02 0.33 0.07 0.00 -1.81 0.00 0.00 57.70 56.32 2wyi n MET 346 Cb 0.05 -1.83 0.35 0.00 -0.71 0.00 0.00 33.22 31.07 2wyi n MET 346 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2wyi n GLN 347 N -2.21 0.08 0.00 0.03 6.02 -0.73 -0.26 117.38 120.31 2wyi n GLN 347 Ca 0.04 0.47 0.12 0.00 -0.01 0.00 0.00 57.00 57.62 2wyi n GLN 347 Cb 0.30 -1.72 0.18 0.00 1.02 0.00 0.00 30.24 30.02 2wyi n GLN 347 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wyi n ASN 348 N -1.89 2.46 0.02 1.08 3.02 -0.26 -4.50 115.26 115.19 2wyi n ASN 348 Ca 0.01 -1.77 0.11 0.00 -0.03 0.00 0.00 54.58 52.90 2wyi n ASN 348 Cb 0.10 0.09 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 2wyi n ASN 348 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2wyi n HIS 349 N 0.80 0.17 -1.67 3.10 8.25 0.64 -2.53 115.22 123.98 2wyi n HIS 349 Ca 0.14 0.05 -0.40 0.00 -0.26 0.00 0.00 57.72 57.25 2wyi n HIS 349 Cb 0.52 -0.33 0.03 0.00 1.12 0.00 0.00 29.99 31.33 2wyi n HIS 349 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2wyi n PRO 350 N -1.83 1.51 -0.24 -0.41 -0.02 -1.25 -3.12 135.00 129.64 2wyi n PRO 350 Ca 0.03 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 2wyi n PRO 350 Cb 0.41 -2.30 0.11 0.00 -0.02 0.00 0.00 33.50 31.70 2wyi n PRO 350 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2wyi h HIS 351 N 1.45 0.73 0.00 6.00 2.07 -1.39 0.52 115.15 124.53 2wyi h HIS 351 Ca -0.48 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2wyi h HIS 351 Cb 1.32 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 31.08 2wyi h HIS 351 CO 0.44 0.35 0.00 -0.44 -3.07 0.00 0.00 177.93 175.21 2wyi h ASP 352 N 0.73 0.00 0.00 3.10 3.32 -1.87 -0.03 116.42 121.66 2wyi h ASP 352 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2wyi h ASP 352 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2wyi h ASP 352 CO -0.18 0.00 -0.01 0.28 -1.72 0.00 0.00 179.24 177.60 2wyi h SER 353 N 0.00 0.00 -0.70 6.45 0.02 -1.15 -3.15 113.55 115.02 2wyi h SER 353 Ca 0.00 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2wyi h SER 353 Cb 0.26 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2wyi h SER 353 CO 0.00 0.12 0.46 -0.29 -1.14 0.00 0.00 176.83 175.98 2wyi h ILE 354 N -0.22 1.03 0.00 3.27 6.09 -1.14 -1.43 117.51 125.10 2wyi h ILE 354 Ca 0.00 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2wyi h ILE 354 Cb 0.01 0.22 0.00 0.00 0.47 0.00 0.00 36.82 37.53 2wyi h ILE 354 CO 0.00 0.14 0.00 0.00 -3.07 0.00 0.00 178.15 175.22 2wyi n GLY 356 N -0.78 0.73 1.85 0.00 0.00 -0.54 -4.58 105.19 101.87 2wyi n GLY 356 Ca -0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2wyi n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wyi n SER 358 N -0.91 1.73 -4.90 0.00 7.64 -1.23 -4.91 113.62 111.05 2wyi n SER 358 Ca 0.46 -1.21 -0.29 0.00 1.01 0.00 0.00 58.87 58.85 2wyi n SER 358 Cb 0.93 0.02 0.07 0.00 -1.01 0.00 0.00 64.21 64.21 2wyi n SER 358 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2wyi s VAL 359 N -0.80 2.79 0.26 0.44 -7.23 -0.69 -4.80 120.40 110.38 2wyi s VAL 359 Ca 0.01 0.20 -0.02 0.00 -1.81 0.00 0.00 61.98 60.36 2wyi s VAL 359 Cb -0.00 -3.24 0.24 0.00 0.56 0.00 0.00 36.38 33.93 2wyi s VAL 359 CO 0.01 -0.31 1.81 0.44 -0.31 0.00 0.00 175.10 176.74 2wyi h ASP 360 N -0.79 0.75 0.07 4.85 3.32 -1.92 -2.20 116.42 120.49 2wyi h ASP 360 Ca -0.45 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 2wyi h ASP 360 Cb 1.29 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2wyi h ASP 360 CO 0.64 0.41 -0.46 0.77 -1.72 0.00 0.00 179.24 178.88 2wyi h SER 361 N 0.84 0.50 -0.48 6.45 4.64 -1.97 -2.10 113.55 121.44 2wyi h SER 361 Ca 0.44 -0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.56 2wyi h SER 361 Cb 0.43 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 2wyi h SER 361 CO -0.26 0.89 0.24 0.58 -0.87 0.00 0.00 176.83 177.41 2wyi h VAL 362 N 0.38 0.97 0.00 0.95 2.07 -1.72 -1.65 116.25 117.25 2wyi h VAL 362 Ca 0.02 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 2wyi h VAL 362 Cb 0.96 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2wyi h VAL 362 CO 0.08 0.09 -0.55 0.45 0.02 0.00 0.00 177.57 177.67 2wyi h HIS 363 N 0.48 0.00 -0.49 1.57 -0.00 -1.40 -1.29 115.15 114.02 2wyi h HIS 363 Ca 0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.49 2wyi h HIS 363 Cb 0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 2wyi h HIS 363 CO -0.10 0.55 -0.05 0.00 -0.00 0.00 0.00 177.93 178.33 2wyi h ARG 364 N 0.00 0.86 -0.55 2.45 3.08 -1.13 -2.51 114.38 116.59 2wyi h ARG 364 Ca -0.01 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 2wyi h ARG 364 Cb 1.17 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2wyi h ARG 364 CO 0.07 0.89 -0.07 1.49 -1.07 0.00 0.00 179.97 181.28 2wyi h GLU 365 N 0.79 1.02 -0.92 0.04 4.81 -0.83 -2.90 114.58 116.60 2wyi h GLU 365 Ca 0.14 -0.36 0.08 0.00 -0.13 0.00 0.00 59.36 59.08 2wyi h GLU 365 Cb 0.54 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.78 2wyi h GLU 365 CO 0.03 1.05 0.57 0.52 -0.73 0.00 0.00 179.01 180.45 2wyi h MET 366 N 0.90 0.98 -0.57 1.92 2.86 -1.02 -1.86 114.93 118.13 2wyi h MET 366 Ca 0.15 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2wyi h MET 366 Cb 0.64 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 2wyi h MET 366 CO 0.04 0.65 0.37 0.52 1.06 0.00 0.00 176.91 179.55 2wyi h MET 367 N 1.01 0.72 -0.27 1.72 2.86 -1.25 0.93 114.93 120.64 2wyi h MET 367 Ca 0.41 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 58.06 2wyi h MET 367 Cb 0.25 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 2wyi h MET 367 CO -0.20 0.48 -0.03 1.15 1.06 0.00 0.00 176.91 179.37 2wyi h THR 368 N 0.74 0.77 -0.49 2.22 2.02 -1.31 -1.62 112.91 115.24 2wyi h THR 368 Ca 0.22 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.42 2wyi h THR 368 Cb -0.04 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 2wyi h THR 368 CO -0.07 0.01 0.26 0.03 0.37 0.00 0.00 175.52 176.12 2wyi h ARG 369 N 0.05 0.50 -0.43 6.66 3.08 -0.54 -0.37 114.38 123.32 2wyi h ARG 369 Ca 0.13 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.23 2wyi h ARG 369 Cb 0.18 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 2wyi h ARG 369 CO -0.24 0.33 0.02 0.74 -1.07 0.00 0.00 179.97 179.74 2wyi h PHE 370 N 0.51 0.01 -0.57 3.04 0.04 -0.59 -0.50 116.94 118.88 2wyi h PHE 370 Ca 0.21 0.03 0.01 0.00 2.80 0.00 0.00 57.97 61.02 2wyi h PHE 370 Cb 0.09 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 2wyi h PHE 370 CO -0.09 -0.07 0.36 0.93 -0.60 0.00 0.00 178.31 178.84 2wyi h GLU 371 N 0.13 0.71 -0.30 1.51 5.08 -0.74 -0.55 114.58 120.42 2wyi h GLU 371 Ca 0.22 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2wyi h GLU 371 Cb 0.31 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2wyi h GLU 371 CO -0.34 0.47 0.10 0.87 -1.00 0.00 0.00 179.01 179.11 2wyi h LYS 372 N 0.73 0.46 -0.55 2.33 1.57 -0.41 -0.93 116.57 119.77 2wyi h LYS 372 Ca 0.22 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2wyi h LYS 372 Cb -0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2wyi h LYS 372 CO -0.07 0.50 0.20 0.00 -0.57 0.00 0.00 179.45 179.50 2wyi h ALA 373 N 0.94 0.72 -0.25 3.86 0.00 -0.95 -2.66 119.26 120.93 2wyi h ALA 373 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wyi h ALA 373 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wyi h ALA 373 CO -0.00 0.36 0.14 -0.92 0.00 0.00 0.00 179.25 178.82 2wyi h TYR 374 N 0.76 0.34 -0.65 0.00 3.20 -0.89 -1.68 116.97 118.05 2wyi h TYR 374 Ca 0.18 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2wyi h TYR 374 Cb 0.24 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.35 2wyi h TYR 374 CO 0.01 0.28 0.37 0.93 -1.64 0.00 0.00 178.16 178.11 2wyi h GLU 375 N 0.30 0.68 -0.24 1.82 4.39 -1.01 0.38 114.58 120.89 2wyi h GLU 375 Ca 0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2wyi h GLU 375 Cb 0.05 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2wyi h GLU 375 CO -0.01 0.45 0.16 0.28 -1.16 0.00 0.00 179.01 178.72 2wyi h VAL 376 N 0.70 1.06 -0.73 3.13 2.07 -1.25 0.19 116.25 121.42 2wyi h VAL 376 Ca 0.28 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.70 2wyi h VAL 376 Cb 0.14 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2wyi h VAL 376 CO -0.16 0.06 0.48 1.23 0.02 0.00 0.00 177.57 179.20 2wyi h GLY 377 N 0.32 1.03 1.27 2.17 0.00 -0.51 -1.84 103.07 105.50 2wyi h GLY 377 Ca 0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 2wyi h GLY 377 CO -0.02 0.37 -0.42 0.84 0.00 0.00 0.00 176.54 177.30 2wyi h HIS 378 N 0.98 0.96 0.13 5.60 6.17 0.26 -0.62 115.15 128.63 2wyi h HIS 378 Ca 0.27 -0.29 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 2wyi h HIS 378 Cb -0.10 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 29.63 2wyi h HIS 378 CO -0.02 1.08 -0.06 -0.92 0.71 0.00 0.00 177.93 178.71 2wyi h TYR 379 N 0.64 -0.16 -0.55 5.26 3.20 -0.38 -2.28 116.97 122.71 2wyi h TYR 379 Ca 0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2wyi h TYR 379 Cb 0.99 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 2wyi h TYR 379 CO 0.05 -0.06 0.31 -0.07 -1.64 0.00 0.00 178.16 176.75 2wyi h LEU 380 N -0.22 0.66 -0.26 2.82 3.38 -1.12 -1.93 115.31 118.64 2wyi h LEU 380 Ca -0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2wyi h LEU 380 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2wyi h LEU 380 CO 0.03 0.53 -0.08 0.00 0.09 0.00 0.00 178.44 179.01 2wyi h ALA 381 N 1.58 0.36 -0.59 1.53 0.00 -0.95 -1.28 119.26 119.91 2wyi h ALA 381 Ca 0.20 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2wyi h ALA 381 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wyi h ALA 381 CO -0.03 0.19 0.19 0.87 0.00 0.00 0.00 179.25 180.46 2wyi h LYS 382 N 0.26 0.88 -0.17 0.00 1.57 -1.08 -1.48 116.57 116.55 2wyi h LYS 382 Ca 0.06 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2wyi h LYS 382 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2wyi h LYS 382 CO 0.03 0.76 0.08 0.93 -0.57 0.00 0.00 179.45 180.67 2wyi h GLU 383 N 0.86 0.24 -0.62 3.15 4.39 -1.23 -2.13 114.58 119.24 2wyi h GLU 383 Ca 0.20 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2wyi h GLU 383 Cb 0.24 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2wyi h GLU 383 CO -0.01 0.30 0.35 0.00 -1.16 0.00 0.00 179.01 178.48 2wyi h ALA 384 N 0.94 0.79 -0.54 3.43 0.00 -0.94 -1.03 119.26 121.90 2wyi h ALA 384 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2wyi h ALA 384 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wyi h ALA 384 CO -0.01 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.70 2wyi h ALA 385 N 1.17 0.71 -0.49 0.00 0.00 -1.21 -1.49 119.26 117.95 2wyi h ALA 385 Ca 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2wyi h ALA 385 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2wyi h ALA 385 CO -0.04 0.39 0.08 1.57 0.00 0.00 0.00 179.25 181.25 2wyi h LYS 386 N 0.76 0.81 -0.39 0.00 2.10 -1.19 -1.44 116.57 117.22 2wyi h LYS 386 Ca 0.17 -0.22 0.05 0.00 -2.00 0.00 0.00 60.65 58.65 2wyi h LYS 386 Cb 0.31 -0.10 -0.04 0.00 -0.90 0.00 0.00 32.23 31.50 2wyi h LYS 386 CO -0.00 0.81 0.13 1.96 -2.00 0.00 0.00 179.45 180.35 2wyi h GLN 387 N 0.69 0.28 0.20 0.07 4.20 -0.81 0.20 115.11 119.93 2wyi h GLN 387 Ca 0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2wyi h GLN 387 Cb 0.39 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2wyi h GLN 387 CO 0.01 0.18 -0.10 0.82 -0.67 0.00 0.00 178.83 179.07 2wyi h ILE 388 N 0.28 0.80 -0.77 2.54 2.04 -1.19 -3.00 117.51 118.21 2wyi h ILE 388 Ca 0.18 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 2wyi h ILE 388 Cb 0.16 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2wyi h ILE 388 CO -0.19 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.47 2wyi h ALA 389 N 0.53 1.43 0.00 1.87 0.00 -0.87 -1.33 119.26 120.89 2wyi h ALA 389 Ca -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wyi h ALA 389 Cb 0.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wyi h ALA 389 CO 0.05 0.52 -0.01 -0.44 0.00 0.00 0.00 179.25 179.36 2wyi h ASP 390 N 1.05 0.00 0.01 0.00 3.32 -0.53 -2.56 116.42 117.71 2wyi h ASP 390 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2wyi h ASP 390 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2wyi h ASP 390 CO -0.06 0.01 -0.43 0.00 -1.72 0.00 0.00 179.24 177.04 2wyi n ALA 391 N -2.11 3.47 -1.95 3.45 0.00 -0.54 -4.86 120.51 117.97 2wyi n ALA 391 Ca -0.01 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.40 2wyi n ALA 391 Cb 0.21 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 2wyi n ALA 391 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wyi s ILE 392 N -2.46 3.85 -0.57 0.00 1.01 -0.96 -0.84 121.20 121.22 2wyi s ILE 392 Ca 0.20 1.70 -0.28 0.00 0.00 0.00 0.00 60.65 62.26 2wyi s ILE 392 Cb 0.18 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2wyi s ILE 392 CO 0.56 0.34 1.35 -0.62 0.00 0.00 0.00 174.94 176.56 2wyi s ASP 393 N -0.46 6.21 -0.15 3.58 2.15 -0.36 -4.13 116.67 123.51 2wyi s ASP 393 Ca 0.47 0.22 0.16 0.00 0.43 0.00 0.00 52.55 53.82 2wyi s ASP 393 Cb -0.29 -2.55 0.66 0.00 -0.30 0.00 0.00 42.92 40.44 2wyi s ASP 393 CO 0.36 -1.65 1.57 0.35 -0.17 0.00 0.00 175.17 175.63 2wyi n THR 394 N 6.79 2.11 1.76 1.71 -2.24 -0.34 -4.37 114.28 119.70 2wyi n THR 394 Ca 0.11 -1.40 0.12 0.00 -2.27 0.00 0.00 64.05 60.61 2wyi n THR 394 Cb 0.49 -0.03 0.71 0.00 -2.10 0.00 0.00 70.33 69.40 2wyi n THR 394 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wyi n ARG 395 N 0.53 0.88 0.00 -0.78 1.74 -1.25 -2.56 116.66 115.21 2wyi n ARG 395 Ca 0.24 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.46 2wyi n ARG 395 Cb 0.92 -1.43 0.71 0.00 -1.02 0.00 0.00 32.46 31.65 2wyi n ARG 395 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wyi n ASP 396 N -0.93 0.00 -4.50 0.55 8.00 -1.26 -4.77 116.55 113.64 2wyi n ASP 396 Ca 0.18 -0.11 -0.37 0.00 0.71 0.00 0.00 54.79 55.20 2wyi n ASP 396 Cb 0.08 -0.29 -0.12 0.00 -0.02 0.00 0.00 41.12 40.78 2wyi n ASP 396 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wyi s PHE 397 N -2.57 3.13 0.74 1.24 0.08 -1.06 -4.77 117.98 114.77 2wyi s PHE 397 Ca 0.27 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 56.93 2wyi s PHE 397 Cb 0.19 -2.26 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2wyi s PHE 397 CO 0.43 -0.25 0.99 -2.30 -0.10 0.00 0.00 175.22 173.99 2wyi n PRO 398 N 4.81 0.46 0.16 0.24 -0.02 -1.26 -4.84 135.00 134.55 2wyi n PRO 398 Ca -0.16 0.22 0.18 0.00 -2.02 0.00 0.00 63.50 61.72 2wyi n PRO 398 Cb 0.52 -2.25 0.79 0.00 -0.02 0.00 0.00 33.50 32.54 2wyi n PRO 398 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2wyi h MET 399 N -0.35 0.00 0.00 -0.52 2.86 -1.97 -0.68 114.93 114.26 2wyi h MET 399 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2wyi h MET 399 Cb 1.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2wyi h MET 399 CO 0.47 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.04 2wyi n ASP 400 N -3.85 0.00 -4.79 1.22 5.68 -1.26 -4.85 116.55 108.71 2wyi n ASP 400 Ca 0.04 0.31 -0.23 0.00 -0.50 0.00 0.00 54.79 54.40 2wyi n ASP 400 Cb 0.41 -0.42 -0.05 0.00 -1.14 0.00 0.00 41.12 39.92 2wyi n ASP 400 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2wyi s SER 401 N -2.85 5.39 -0.35 -1.12 1.04 -0.26 -4.67 113.70 110.87 2wyi s SER 401 Ca 0.15 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 2wyi s SER 401 Cb 0.15 -1.34 0.07 0.00 0.10 0.00 0.00 66.02 65.00 2wyi s SER 401 CO 0.39 -0.00 0.10 -1.10 0.98 0.00 0.00 173.24 173.60 2wyi s GLN 402 N -3.61 2.32 0.53 4.02 -1.52 0.17 -4.88 119.66 116.70 2wyi s GLN 402 Ca 0.32 -1.44 -0.20 0.00 -1.95 0.00 0.00 55.36 52.09 2wyi s GLN 402 Cb -0.08 -3.39 -0.06 0.00 -0.22 0.00 0.00 33.01 29.26 2wyi s GLN 402 CO 0.24 -0.79 1.14 -2.14 -0.25 0.00 0.00 175.29 173.48 2wyi s PRO 403 N 1.25 3.42 0.03 2.91 0.02 -1.24 -0.10 135.00 141.29 2wyi s PRO 403 Ca 0.00 1.65 -0.11 0.00 0.02 0.00 0.00 61.00 62.56 2wyi s PRO 403 Cb -0.21 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.24 2wyi s PRO 403 CO -0.01 -0.81 0.24 -0.59 -0.33 0.00 0.00 177.00 175.50 2wyi s PHE 404 N -1.72 -0.03 -0.08 6.54 -0.12 0.94 -2.96 117.98 120.55 2wyi s PHE 404 Ca 0.71 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 57.51 2wyi s PHE 404 Cb -0.25 0.03 -0.00 0.00 -0.63 0.00 0.00 43.02 42.16 2wyi s PHE 404 CO 0.29 -0.45 -0.23 0.08 -0.05 0.00 0.00 175.22 174.86 2wyi s VAL 405 N -2.38 1.96 -0.09 -2.49 1.01 0.02 -0.17 120.40 118.25 2wyi s VAL 405 Ca -0.06 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2wyi s VAL 405 Cb -0.02 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2wyi s VAL 405 CO -0.03 0.54 -0.01 -0.76 0.00 0.00 0.00 175.10 174.84 2wyi s LEU 406 N 0.23 3.48 -0.05 3.92 1.43 -0.26 -1.47 118.68 125.96 2wyi s LEU 406 Ca -0.14 0.09 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2wyi s LEU 406 Cb -0.17 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2wyi s LEU 406 CO 0.07 0.36 -0.25 -0.36 0.23 0.00 0.00 176.35 176.39 2wyi s PHE 407 N -0.75 2.41 -0.37 0.29 0.08 0.12 -1.55 117.98 118.20 2wyi s PHE 407 Ca 0.12 -0.68 -0.13 0.00 0.12 0.00 0.00 56.93 56.37 2wyi s PHE 407 Cb -0.11 -1.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 2wyi s PHE 407 CO 0.02 -0.19 0.24 1.21 -0.10 0.00 0.00 175.22 176.40 2wyi s ASN 408 N -0.24 5.90 -0.09 1.36 2.47 -0.19 -1.26 114.94 122.88 2wyi s ASN 408 Ca -0.01 -0.81 0.19 0.00 0.42 0.00 0.00 52.86 52.65 2wyi s ASN 408 Cb -0.13 -2.09 0.72 0.00 -1.45 0.00 0.00 41.25 38.30 2wyi s ASN 408 CO 0.03 -0.36 1.63 0.35 -3.72 0.00 0.00 177.10 175.03 2wyi n THR 409 N 5.07 1.69 -2.89 -5.21 -2.24 -1.26 -1.74 114.28 107.70 2wyi n THR 409 Ca -0.12 -1.16 -0.19 0.00 -2.27 0.00 0.00 64.05 60.31 2wyi n THR 409 Cb 0.47 0.20 0.03 0.00 -2.10 0.00 0.00 70.33 68.93 2wyi n THR 409 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wyi s SER 410 N -0.91 5.35 0.00 3.42 0.01 -1.26 -4.82 113.70 115.48 2wyi s SER 410 Ca 0.52 -0.39 0.26 0.00 1.31 0.00 0.00 55.95 57.64 2wyi s SER 410 Cb 0.32 -0.48 0.80 0.00 0.21 0.00 0.00 66.02 66.87 2wyi s SER 410 CO 0.27 -1.05 1.60 0.61 0.41 0.00 0.00 173.24 175.08 2wyi n GLY 411 N -2.13 0.34 3.36 3.44 0.00 -1.26 -1.60 105.19 107.34 2wyi n GLY 411 Ca 0.10 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 2wyi n GLY 411 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wyi s HIS 412 N -1.94 1.69 0.20 1.61 3.76 -1.26 -4.79 115.29 114.56 2wyi s HIS 412 Ca 0.35 -0.86 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 2wyi s HIS 412 Cb 0.20 -0.98 -0.16 0.00 1.11 0.00 0.00 32.58 32.75 2wyi s HIS 412 CO 0.31 0.05 1.03 0.45 -0.85 0.00 0.00 174.74 175.74 2wyi n SER 413 N -0.48 0.93 -4.13 1.40 2.88 -1.26 -3.91 113.62 109.05 2wyi n SER 413 Ca -0.05 1.15 -0.33 0.00 -1.33 0.00 0.00 58.87 58.31 2wyi n SER 413 Cb 0.64 -1.19 -0.14 0.00 -0.75 0.00 0.00 64.21 62.77 2wyi n SER 413 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2wyi s LYS 414 N -0.76 2.42 -0.24 -1.46 2.20 0.66 -4.91 119.74 117.65 2wyi s LYS 414 Ca 0.69 -1.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2wyi s LYS 414 Cb -0.84 -2.99 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 2wyi s LYS 414 CO 0.55 -0.55 0.01 0.99 -0.36 0.00 0.00 175.35 175.99 2wyi s THR 415 N 1.19 3.73 0.26 3.43 2.01 -1.26 -0.48 115.64 124.51 2wyi s THR 415 Ca -0.06 -0.46 -0.18 0.00 0.31 0.00 0.00 61.69 61.30 2wyi s THR 415 Cb -0.19 -2.76 0.01 0.00 0.01 0.00 0.00 72.50 69.57 2wyi s THR 415 CO -0.04 0.33 0.61 -0.94 -0.69 0.00 0.00 174.62 173.89 2wyi s SER 416 N 1.52 -0.20 -0.52 3.53 1.04 -0.78 -4.93 113.70 113.36 2wyi s SER 416 Ca 0.05 -0.71 -0.15 0.00 0.48 0.00 0.00 55.95 55.62 2wyi s SER 416 Cb -0.15 0.66 0.11 0.00 0.10 0.00 0.00 66.02 66.74 2wyi s SER 416 CO -0.00 -1.24 0.46 -0.69 0.98 0.00 0.00 173.24 172.74 2wyi s VAL 417 N -3.95 5.15 0.17 5.02 1.01 -1.26 -1.31 120.40 125.22 2wyi s VAL 417 Ca 0.15 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 2wyi s VAL 417 Cb -0.04 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2wyi s VAL 417 CO 0.07 -0.78 1.20 0.00 0.00 0.00 0.00 175.10 175.59 2wyi s ALA 418 N 1.60 3.43 -0.39 5.51 0.00 0.40 -4.73 121.76 127.57 2wyi s ALA 418 Ca 0.03 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 52.79 2wyi s ALA 418 Cb -0.28 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.44 2wyi s ALA 418 CO 0.04 -0.38 0.27 -1.21 0.00 0.00 0.00 175.76 174.48 2wyi s GLU 419 N -0.03 2.98 0.11 0.00 0.41 -1.26 -0.55 118.70 120.36 2wyi s GLU 419 Ca 0.54 -1.00 0.10 0.00 -0.41 0.00 0.00 54.97 54.20 2wyi s GLU 419 Cb -0.32 -3.90 -0.04 0.00 -1.78 0.00 0.00 34.13 28.09 2wyi s GLU 419 CO 0.35 -0.71 -0.26 -0.51 -0.49 0.00 0.00 175.26 173.65 2wyi s LEU 420 N 1.65 2.29 -0.16 1.80 1.43 0.54 -5.01 118.68 121.22 2wyi s LEU 420 Ca 0.04 -0.71 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2wyi s LEU 420 Cb -0.19 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 44.92 2wyi s LEU 420 CO 0.09 0.16 -0.03 -0.55 0.23 0.00 0.00 176.35 176.25 2wyi s SER 421 N -1.91 2.70 -0.00 2.29 0.15 -1.26 -1.12 113.70 114.54 2wyi s SER 421 Ca 0.12 -0.62 0.06 0.00 0.70 0.00 0.00 55.95 56.21 2wyi s SER 421 Cb -0.10 -0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 63.37 2wyi s SER 421 CO 0.05 -0.20 -0.17 -0.76 1.20 0.00 0.00 173.24 173.36 2wyi s LEU 422 N 1.71 2.64 -0.20 3.45 1.43 -0.04 -4.92 118.68 122.74 2wyi s LEU 422 Ca 0.01 -0.32 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 2wyi s LEU 422 Cb -0.15 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 2wyi s LEU 422 CO -0.07 0.30 0.89 -0.89 0.23 0.00 0.00 176.35 176.81 2wyi s THR 423 N -0.82 4.81 -0.16 5.49 2.01 -1.26 0.19 115.64 125.90 2wyi s THR 423 Ca 0.13 1.73 -0.16 0.00 0.31 0.00 0.00 61.69 63.70 2wyi s THR 423 Cb -0.11 -4.18 -0.23 0.00 0.01 0.00 0.00 72.50 67.99 2wyi s THR 423 CO 0.03 -0.06 0.35 -0.25 -0.69 0.00 0.00 174.62 174.00 2wyi h TRP 424 N 7.46 0.24 -3.78 4.92 2.91 -1.14 -3.48 115.95 123.08 2wyi h TRP 424 Ca -0.25 -0.18 -0.13 0.00 1.13 0.00 0.00 58.89 59.47 2wyi h TRP 424 Cb 1.10 -0.01 -0.18 0.00 -0.51 0.00 0.00 29.16 29.57 2wyi h TRP 424 CO 0.74 1.59 -0.52 0.15 -1.03 0.00 0.00 178.44 179.36 2wyi s LYS 425 N -2.44 0.58 -0.10 2.65 1.02 -1.24 -5.00 119.74 115.21 2wyi s LYS 425 Ca -0.25 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.05 2wyi s LYS 425 Cb 0.06 0.23 -0.01 0.00 -0.52 0.00 0.00 37.83 37.59 2wyi s LYS 425 CO 0.69 -0.15 -0.22 0.15 -0.92 0.00 0.00 175.35 174.90 2wyi s LYS 426 N -2.53 2.99 -0.57 1.68 1.02 -1.26 -1.40 119.74 119.67 2wyi s LYS 426 Ca -0.06 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 2wyi s LYS 426 Cb -0.02 -2.34 0.15 0.00 -0.52 0.00 0.00 37.83 35.10 2wyi s LYS 426 CO -0.04 0.25 0.40 0.71 -0.92 0.00 0.00 175.35 175.74 2wyi s TYR 427 N 0.20 3.49 0.41 3.18 2.02 0.14 -4.97 117.35 121.81 2wyi s TYR 427 Ca -0.13 -2.43 -0.26 0.00 -0.37 0.00 0.00 57.07 53.88 2wyi s TYR 427 Cb -0.16 -3.32 -0.09 0.00 -0.40 0.00 0.00 41.96 37.99 2wyi s TYR 427 CO 0.07 -0.91 1.28 -1.01 -1.57 0.00 0.00 175.55 173.40 2wyi s HIS 428 N 0.50 2.86 0.02 2.71 3.76 -1.26 -1.36 115.29 122.52 2wyi s HIS 428 Ca 0.13 1.44 -0.25 0.00 -0.15 0.00 0.00 55.06 56.22 2wyi s HIS 428 Cb -0.21 -3.62 -0.18 0.00 1.11 0.00 0.00 32.58 29.68 2wyi s HIS 428 CO -0.04 -1.96 1.40 0.74 -0.85 0.00 0.00 174.74 174.03 2wyi h PHE 429 N 2.67 -0.15 0.00 1.40 -1.00 -1.88 -3.48 116.94 114.50 2wyi h PHE 429 Ca -0.49 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 2wyi h PHE 429 Cb 1.24 0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.85 2wyi h PHE 429 CO 0.53 0.15 0.00 0.41 -1.61 0.00 0.00 178.31 177.79 2wyi n GLY 430 N -0.37 3.87 1.11 -1.45 0.00 -1.26 -2.05 105.19 105.04 2wyi n GLY 430 Ca -0.09 0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.97 2wyi n GLY 430 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wyi n GLN 431 N 14.00 2.59 -4.00 1.61 1.13 -1.26 -5.02 117.38 126.43 2wyi n GLN 431 Ca 0.00 -2.98 -0.21 0.00 -1.94 0.00 0.00 57.00 51.86 2wyi n GLN 431 Cb 0.00 -1.88 -0.04 0.00 0.11 0.00 0.00 30.24 28.44 2wyi n GLN 431 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2wyi s ARG 432 N -3.00 2.93 0.03 -1.09 0.52 -0.87 -5.07 118.95 112.41 2wyi s ARG 432 Ca 0.44 -1.09 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 2wyi s ARG 432 Cb 0.38 -2.58 -0.07 0.00 0.52 0.00 0.00 34.95 33.20 2wyi s ARG 432 CO 0.06 0.31 1.52 -0.06 0.02 0.00 0.00 175.30 177.15 2wyi s PHE 433 N -2.16 2.66 0.38 -0.53 0.08 -1.26 -4.91 117.98 112.24 2wyi s PHE 433 Ca 0.35 0.59 0.16 0.00 0.12 0.00 0.00 56.93 58.16 2wyi s PHE 433 Cb -0.08 -3.80 1.05 0.00 -0.57 0.00 0.00 43.02 39.62 2wyi s PHE 433 CO 0.26 -3.11 1.76 -1.35 -0.10 0.00 0.00 175.22 172.69 2wyi h PRO 434 N 8.05 0.43 -0.18 0.24 0.11 -1.97 -0.37 132.00 138.30 2wyi h PRO 434 Ca -0.40 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.71 2wyi h PRO 434 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2wyi h PRO 434 CO 0.92 0.28 0.12 1.57 -0.21 0.00 0.00 178.00 180.68 2wyi h LYS 435 N 0.44 0.12 0.06 1.05 2.10 -1.99 0.21 116.57 118.57 2wyi h LYS 435 Ca 0.60 -0.01 -0.27 0.00 -2.00 0.00 0.00 60.65 58.97 2wyi h LYS 435 Cb 1.43 -0.03 0.02 0.00 -0.90 0.00 0.00 32.23 32.75 2wyi h LYS 435 CO -0.33 0.08 -1.13 0.93 -2.00 0.00 0.00 179.45 177.00 2wyi h GLU 436 N 0.13 0.58 -0.60 0.07 5.08 -1.45 -2.52 114.58 115.86 2wyi h GLU 436 Ca 0.08 -0.71 -0.07 0.00 -1.00 0.00 0.00 59.36 57.66 2wyi h GLU 436 Cb 0.14 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2wyi h GLU 436 CO -0.01 1.30 0.10 0.28 -1.00 0.00 0.00 179.01 179.68 2wyi h VAL 437 N 0.29 1.25 -0.81 3.13 2.07 -1.34 -2.39 116.25 118.43 2wyi h VAL 437 Ca -0.15 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2wyi h VAL 437 Cb 1.80 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2wyi h VAL 437 CO 0.21 0.36 0.49 0.22 0.02 0.00 0.00 177.57 178.87 2wyi h TYR 438 N 0.91 1.07 -0.42 1.57 3.20 -0.94 -2.17 116.97 120.20 2wyi h TYR 438 Ca 0.19 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 2wyi h TYR 438 Cb 0.39 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2wyi h TYR 438 CO 0.03 0.72 0.02 0.37 -1.64 0.00 0.00 178.16 177.65 2wyi h GLN 439 N 1.12 0.66 -0.37 1.82 4.15 -1.20 -1.58 115.11 119.71 2wyi h GLN 439 Ca 0.29 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 59.57 2wyi h GLN 439 Cb -0.04 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 2wyi h GLN 439 CO -0.05 0.67 0.22 0.93 -1.93 0.00 0.00 178.83 178.66 2wyi h GLU 440 N 0.63 0.44 -0.56 1.69 5.08 -0.90 -0.38 114.58 120.58 2wyi h GLU 440 Ca 0.13 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wyi h GLU 440 Cb 0.37 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2wyi h GLU 440 CO 0.01 0.29 0.25 0.00 -1.00 0.00 0.00 179.01 178.56 2wyi h ALA 441 N 1.15 0.72 -0.54 3.43 0.00 -1.02 0.13 119.26 123.14 2wyi h ALA 441 Ca 0.14 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wyi h ALA 441 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2wyi h ALA 441 CO -0.06 0.31 0.35 1.96 0.00 0.00 0.00 179.25 181.81 2wyi h GLN 442 N 0.76 0.68 -0.66 0.00 4.20 -1.05 -1.95 115.11 117.09 2wyi h GLN 442 Ca 0.19 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 2wyi h GLN 442 Cb 0.15 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2wyi h GLN 442 CO -0.02 0.45 0.31 0.93 -0.67 0.00 0.00 178.83 179.84 2wyi h GLU 443 N 0.70 0.95 -0.21 1.46 5.08 -0.62 -2.09 114.58 119.86 2wyi h GLU 443 Ca 0.21 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2wyi h GLU 443 Cb -0.05 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2wyi h GLU 443 CO -0.06 0.76 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.72 2wyi h TYR 444 N 0.91 -0.16 0.00 4.33 3.20 -0.60 -1.39 116.97 123.26 2wyi h TYR 444 Ca 0.23 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2wyi h TYR 444 Cb 0.12 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 2wyi h TYR 444 CO 0.00 -0.12 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.27 2wyi h LEU 445 N -0.03 0.00 0.17 2.82 3.38 -1.03 -2.66 115.31 117.96 2wyi h LEU 445 Ca 0.11 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.76 2wyi h LEU 445 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2wyi h LEU 445 CO -0.24 0.07 -1.52 0.00 0.09 0.00 0.00 178.44 176.84 2wyi h ALA 446 N 1.93 0.11 0.00 1.53 0.00 -0.84 -3.25 119.26 118.74 2wyi h ALA 446 Ca -0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 2wyi h ALA 446 Cb 0.23 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wyi h ALA 446 CO 0.01 0.98 -0.01 0.00 0.00 0.00 0.00 179.25 180.23 2wyi h ARG 447 N 0.10 0.00 -6.26 0.00 3.08 -0.94 -3.45 114.38 106.91 2wyi h ARG 447 Ca -0.25 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.25 2wyi h ARG 447 Cb 2.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.11 2wyi h ARG 447 CO 0.20 0.01 1.10 -1.17 -1.07 0.00 0.00 179.97 179.04 2wyi s LEU 448 N -6.30 4.27 -0.01 3.04 2.96 -1.05 -4.88 118.68 116.71 2wyi s LEU 448 Ca -0.03 2.18 0.09 0.00 -0.22 0.00 0.00 54.13 56.16 2wyi s LEU 448 Cb 0.12 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.14 2wyi s LEU 448 CO 0.48 -0.97 0.29 -1.54 -1.32 0.00 0.00 176.35 173.29 2wyi n SER 449 N 7.30 1.83 -4.92 3.68 3.41 -1.26 -5.04 113.62 118.62 2wyi n SER 449 Ca 0.18 -0.30 -0.26 0.00 -0.26 0.00 0.00 58.87 58.23 2wyi n SER 449 Cb 0.43 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 2wyi n SER 449 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wyi s GLN 450 N -2.34 3.44 -0.09 4.33 -0.21 -1.26 -5.03 119.66 118.50 2wyi s GLN 450 Ca -0.01 0.03 -0.06 0.00 0.02 0.00 0.00 55.36 55.35 2wyi s GLN 450 Cb 0.07 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 2wyi s GLN 450 CO 0.39 -0.19 0.16 -1.12 -2.12 0.00 0.00 175.29 172.41 2wyi s SER 451 N -4.12 6.39 0.38 5.90 0.01 -0.41 -4.86 113.70 116.99 2wyi s SER 451 Ca 0.47 0.44 -0.26 0.00 1.31 0.00 0.00 55.95 57.91 2wyi s SER 451 Cb -0.10 -2.05 -0.09 0.00 0.21 0.00 0.00 66.02 63.99 2wyi s SER 451 CO 0.43 0.37 1.13 -0.36 0.41 0.00 0.00 173.24 175.21 2wyi s PHE 452 N -1.12 3.22 0.08 2.43 0.08 -1.26 -0.53 117.98 120.87 2wyi s PHE 452 Ca 0.19 1.60 -0.03 0.00 0.12 0.00 0.00 56.93 58.81 2wyi s PHE 452 Cb -0.12 -3.31 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 2wyi s PHE 452 CO 0.08 -0.99 0.04 1.14 -0.10 0.00 0.00 175.22 175.39 2wyi s GLN 453 N -2.18 0.73 -0.11 0.44 -2.07 0.59 -4.88 119.66 112.19 2wyi s GLN 453 Ca 0.55 -1.20 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 2wyi s GLN 453 Cb -0.29 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 31.86 2wyi s GLN 453 CO 0.36 -0.18 -0.11 0.42 -1.32 0.00 0.00 175.29 174.46 2wyi s ILE 454 N -3.93 3.27 0.13 3.63 -1.09 -1.26 -1.45 121.20 120.49 2wyi s ILE 454 Ca 0.10 -0.61 0.10 0.00 -2.23 0.00 0.00 60.65 58.01 2wyi s ILE 454 Cb 0.07 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 2wyi s ILE 454 CO -0.08 0.55 -0.23 0.27 -1.23 0.00 0.00 174.94 174.22 2wyi s ILE 455 N -0.08 2.00 0.48 2.92 -4.36 -0.56 -0.88 121.20 120.72 2wyi s ILE 455 Ca -0.01 -1.72 0.05 0.00 -0.26 0.00 0.00 60.65 58.71 2wyi s ILE 455 Cb -0.14 -1.81 0.09 0.00 1.25 0.00 0.00 42.46 41.85 2wyi s ILE 455 CO 0.03 -0.04 0.66 -0.90 0.24 0.00 0.00 174.94 174.94 2wyi n ASP 456 N 0.85 1.42 0.29 4.36 5.68 -0.54 -1.37 116.55 127.25 2wyi n ASP 456 Ca -0.18 -2.08 0.15 0.00 -0.50 0.00 0.00 54.79 52.19 2wyi n ASP 456 Cb 0.54 -0.38 0.90 0.00 -1.14 0.00 0.00 41.12 41.04 2wyi n ASP 456 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2wyi h THR 457 N -0.13 0.48 -0.46 2.12 1.35 -1.90 -1.22 112.91 113.15 2wyi h THR 457 Ca -0.22 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2wyi h THR 457 Cb 0.95 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2wyi h THR 457 CO 0.29 0.03 0.00 -1.54 -0.25 0.00 0.00 175.52 174.05 2wyi n SER 458 N -3.71 4.10 0.00 5.36 3.41 -1.26 -4.78 113.62 116.74 2wyi n SER 458 Ca -0.03 -2.51 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 2wyi n SER 458 Cb 0.12 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2wyi n SER 458 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wyi n GLY 459 N 0.69 0.54 3.75 5.00 0.00 -0.46 -4.99 105.19 109.71 2wyi n GLY 459 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2wyi n GLY 459 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wyi s GLN 460 N -0.37 4.44 0.35 1.61 0.74 -1.26 -4.81 119.66 120.36 2wyi s GLN 460 Ca 0.00 0.96 -0.27 0.00 0.05 0.00 0.00 55.36 56.10 2wyi s GLN 460 Cb 0.00 -3.36 -0.09 0.00 1.10 0.00 0.00 33.01 30.66 2wyi s GLN 460 CO 0.00 0.31 1.11 0.08 -0.55 0.00 0.00 175.29 176.24 2wyi s VAL 461 N -0.09 3.43 -0.59 1.34 1.01 -1.26 -1.47 120.40 122.76 2wyi s VAL 461 Ca 0.36 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.46 2wyi s VAL 461 Cb -0.20 -3.75 0.14 0.00 0.00 0.00 0.00 36.38 32.58 2wyi s VAL 461 CO 0.21 0.19 0.54 -0.13 0.00 0.00 0.00 175.10 175.91 2wyi s ARG 462 N -1.97 3.09 0.44 2.72 0.52 -0.06 -4.93 118.95 118.77 2wyi s ARG 462 Ca 0.51 -1.83 0.30 0.00 -0.52 0.00 0.00 55.73 54.19 2wyi s ARG 462 Cb -0.29 -4.32 1.20 0.00 0.52 0.00 0.00 34.95 32.05 2wyi s ARG 462 CO 0.37 -1.33 1.88 -1.00 0.02 0.00 0.00 175.30 175.25 2wyi h PRO 463 N 8.71 0.00 0.00 3.54 0.13 -1.95 -2.91 132.00 139.52 2wyi h PRO 463 Ca -0.23 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.82 2wyi h PRO 463 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2wyi h PRO 463 CO 0.99 0.00 -0.36 0.93 -0.23 0.00 0.00 178.00 179.34 2wyi h GLU 464 N 0.00 0.00 -6.91 0.86 3.07 -1.96 -3.45 114.58 106.19 2wyi h GLU 464 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 2wyi h GLU 464 Cb 0.48 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.55 2wyi h GLU 464 CO 0.00 0.36 0.31 0.00 -1.40 0.00 0.00 179.01 178.28 2wyi n ALA 465 N -2.24 0.68 -3.70 3.43 0.00 -1.10 -4.67 120.51 112.92 2wyi n ALA 465 Ca 0.01 0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.25 2wyi n ALA 465 Cb 0.57 -2.20 -0.17 0.00 0.00 0.00 0.00 19.45 17.65 2wyi n ALA 465 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wyi s GLU 466 N -2.82 1.61 -0.22 0.00 2.12 -0.13 -5.01 118.70 114.27 2wyi s GLU 466 Ca 0.75 -0.33 -0.22 0.00 0.36 0.00 0.00 54.97 55.53 2wyi s GLU 466 Cb -0.42 -1.50 -0.02 0.00 0.26 0.00 0.00 34.13 32.45 2wyi s GLU 466 CO 0.47 -0.13 0.68 0.42 -0.54 0.00 0.00 175.26 176.17 2wyi s ILE 467 N 1.20 4.97 -0.10 -3.70 -1.09 -1.26 -0.76 121.20 120.45 2wyi s ILE 467 Ca -0.05 1.28 0.08 0.00 -2.23 0.00 0.00 60.65 59.74 2wyi s ILE 467 Cb -0.14 -3.99 -0.24 0.00 -1.58 0.00 0.00 42.46 36.51 2wyi s ILE 467 CO -0.03 0.05 0.43 0.18 -1.23 0.00 0.00 174.94 174.34 2wyi n LEU 468 N 5.40 1.29 0.00 2.97 4.77 0.12 -4.98 117.00 126.57 2wyi n LEU 468 Ca 0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2wyi n LEU 468 Cb 0.49 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2wyi n LEU 468 CO 0.45 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2wyi n GLY 469 N 1.74 0.97 3.40 -0.72 0.00 -1.04 -5.01 105.19 104.53 2wyi n GLY 469 Ca -0.25 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.66 2wyi n GLY 469 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wyi s THR 470 N -2.00 2.18 0.30 2.61 -4.23 -1.26 -1.16 115.64 112.08 2wyi s THR 470 Ca 0.00 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.24 2wyi s THR 470 Cb 0.00 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.80 2wyi s THR 470 CO 0.00 -0.25 0.73 -0.94 -0.54 0.00 0.00 174.62 173.62 2wyi s SER 471 N -2.85 -0.20 -0.15 3.99 1.04 -0.90 -4.99 113.70 109.65 2wyi s SER 471 Ca 0.21 -0.73 -0.00 0.00 0.48 0.00 0.00 55.95 55.91 2wyi s SER 471 Cb -0.06 0.75 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 2wyi s SER 471 CO 0.10 -1.42 -0.13 -0.63 0.98 0.00 0.00 173.24 172.14 2wyi s ILE 472 N -3.59 2.97 -0.02 -1.02 1.01 -1.26 -1.05 121.20 118.24 2wyi s ILE 472 Ca 0.12 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.10 2wyi s ILE 472 Cb -0.06 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2wyi s ILE 472 CO 0.08 0.51 -0.01 0.00 0.00 0.00 0.00 174.94 175.52 2wyi s ALA 473 N 0.58 0.34 0.35 9.38 0.00 -0.08 -4.94 121.76 127.40 2wyi s ALA 473 Ca -0.08 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.68 2wyi s ALA 473 Cb -0.16 -0.27 -0.11 0.00 0.00 0.00 0.00 23.12 22.58 2wyi s ALA 473 CO 0.03 -0.03 1.48 0.34 0.00 0.00 0.00 175.76 177.58 2wyi n PHE 474 N 3.87 2.85 -3.93 0.00 7.35 -1.26 -0.02 117.46 126.32 2wyi n PHE 474 Ca -0.24 0.42 -0.11 0.00 -0.76 0.00 0.00 57.45 56.77 2wyi n PHE 474 Cb 0.52 -2.53 -0.01 0.00 0.35 0.00 0.00 39.48 37.81 2wyi n PHE 474 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2wyi s ASP 475 N -0.02 0.28 0.04 -2.13 -1.08 -0.20 -4.86 116.67 108.70 2wyi s ASP 475 Ca 0.56 -1.19 -0.22 0.00 -0.52 0.00 0.00 52.55 51.18 2wyi s ASP 475 Cb -0.50 0.74 0.05 0.00 -1.46 0.00 0.00 42.92 41.76 2wyi s ASP 475 CO 0.60 -1.45 0.51 -0.72 0.52 0.00 0.00 175.17 174.63 2wyi s TYR 476 N -2.93 -0.42 0.08 -5.34 -0.85 -1.26 -1.43 117.35 105.19 2wyi s TYR 476 Ca 0.21 0.49 0.06 0.00 -0.52 0.00 0.00 57.07 57.31 2wyi s TYR 476 Cb -0.03 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 2wyi s TYR 476 CO 0.14 -0.63 -0.11 -0.51 -1.52 0.00 0.00 175.55 172.92 2wyi s ASP 477 N -1.89 4.34 -0.55 -0.18 1.01 -0.45 -4.95 116.67 113.99 2wyi s ASP 477 Ca -0.06 -0.35 0.04 0.00 0.71 0.00 0.00 52.55 52.89 2wyi s ASP 477 Cb -0.01 -0.84 0.14 0.00 1.01 0.00 0.00 42.92 43.22 2wyi s ASP 477 CO -0.01 0.21 0.31 -0.76 0.21 0.00 0.00 175.17 175.13 2wyi s LEU 478 N -1.94 4.16 0.85 1.23 1.43 -1.26 -0.86 118.68 122.28 2wyi s LEU 478 Ca 0.19 -3.16 -0.11 0.00 -1.03 0.00 0.00 54.13 50.03 2wyi s LEU 478 Cb -0.11 -1.53 0.11 0.00 0.03 0.00 0.00 46.19 44.68 2wyi s LEU 478 CO 0.11 -0.20 1.13 -2.84 0.23 0.00 0.00 176.35 174.79 2wyi s PRO 479 N -0.47 1.54 0.40 1.29 0.02 -1.26 -4.94 135.00 131.58 2wyi s PRO 479 Ca 0.19 1.45 0.17 0.00 0.02 0.00 0.00 61.00 62.83 2wyi s PRO 479 Cb -0.20 -1.79 0.85 0.00 0.02 0.00 0.00 34.50 33.38 2wyi s PRO 479 CO -0.04 -2.23 1.85 0.87 -0.33 0.00 0.00 177.00 177.12 2wyi h LYS 480 N -1.46 0.00 0.00 5.54 1.79 -1.99 -3.37 116.57 117.08 2wyi h LYS 480 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2wyi h LYS 480 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2wyi h LYS 480 CO 0.46 0.33 -0.08 0.54 -1.08 0.00 0.00 179.45 179.61 2wyi n ARG 481 N -3.86 1.25 -3.30 3.15 5.12 -1.26 -5.09 116.66 112.67 2wyi n ARG 481 Ca -0.01 -1.29 -0.06 0.00 -1.93 0.00 0.00 57.85 54.56 2wyi n ARG 481 Cb 0.40 -0.85 0.02 0.00 -1.16 0.00 0.00 32.46 30.88 2wyi n ARG 481 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wyi n SER 482 N -0.42 -1.78 -4.77 0.55 3.41 -1.26 -5.18 113.62 104.17 2wyi n SER 482 Ca 0.03 -2.18 -0.33 0.00 -0.26 0.00 0.00 58.87 56.12 2wyi n SER 482 Cb 0.47 2.96 0.05 0.00 -0.26 0.00 0.00 64.21 67.42 2wyi n SER 482 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wyi s PHE 483 N -3.28 2.57 0.43 7.33 5.36 -1.26 -4.28 117.98 124.85 2wyi s PHE 483 Ca 0.14 1.55 -0.23 0.00 -0.96 0.00 0.00 56.93 57.44 2wyi s PHE 483 Cb -0.04 -3.22 -0.11 0.00 -0.34 0.00 0.00 43.02 39.31 2wyi s PHE 483 CO 0.09 -1.77 0.71 2.89 -1.46 0.00 0.00 175.22 175.68 2wyi n ARG 484 N -2.28 0.82 -3.84 10.12 1.85 -1.26 -4.56 116.66 117.50 2wyi n ARG 484 Ca 0.11 0.30 -0.30 0.00 -1.00 0.00 0.00 57.85 56.95 2wyi n ARG 484 Cb 0.52 -1.70 -0.14 0.00 -1.05 0.00 0.00 32.46 30.08 2wyi n ARG 484 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2wyi s GLU 485 N -1.78 1.18 0.46 2.89 2.02 -0.04 -4.98 118.70 118.45 2wyi s GLU 485 Ca 0.64 -1.66 -0.20 0.00 0.02 0.00 0.00 54.97 53.77 2wyi s GLU 485 Cb -0.58 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.00 2wyi s GLU 485 CO 0.57 -1.02 0.98 -1.25 0.02 0.00 0.00 175.26 174.56 2wyi s PRO 486 N 0.96 4.04 0.07 0.39 0.04 -1.26 -1.35 135.00 137.89 2wyi s PRO 486 Ca 0.12 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 2wyi s PRO 486 Cb -0.20 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.28 2wyi s PRO 486 CO -0.12 -0.20 0.70 1.52 0.04 0.00 0.00 177.00 178.93 2wyi s TYR 487 N -2.16 -0.51 -0.14 0.56 -0.85 -0.52 -2.62 117.35 111.11 2wyi s TYR 487 Ca 0.64 0.46 -0.19 0.00 -0.52 0.00 0.00 57.07 57.46 2wyi s TYR 487 Cb -0.12 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 2wyi s TYR 487 CO 0.17 -0.71 0.54 -0.06 -1.52 0.00 0.00 175.55 173.98 2wyi s PHE 488 N -3.00 3.46 -0.13 -3.49 0.08 -0.46 -1.03 117.98 113.41 2wyi s PHE 488 Ca -0.00 0.91 -0.06 0.00 0.12 0.00 0.00 56.93 57.90 2wyi s PHE 488 Cb -0.01 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 2wyi s PHE 488 CO -0.07 0.03 0.08 0.00 -0.10 0.00 0.00 175.22 175.16 2wyi s ALA 489 N 1.12 3.55 -0.27 5.36 0.00 0.97 0.23 121.76 132.72 2wyi s ALA 489 Ca 0.27 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 51.24 2wyi s ALA 489 Cb -0.16 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2wyi s ALA 489 CO 0.11 0.45 0.98 0.42 0.00 0.00 0.00 175.76 177.72 2wyi s ILE 490 N -0.49 4.67 -0.11 0.00 -1.09 -0.50 -0.90 121.20 122.78 2wyi s ILE 490 Ca 0.10 1.72 -0.01 0.00 -2.23 0.00 0.00 60.65 60.24 2wyi s ILE 490 Cb -0.12 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 2wyi s ILE 490 CO 0.02 -0.27 -0.07 -0.54 -1.23 0.00 0.00 174.94 172.85 2wyi s LYS 491 N 3.25 3.15 -0.24 2.79 -0.14 -0.21 -0.47 119.74 127.86 2wyi s LYS 491 Ca 0.41 -0.56 -0.05 0.00 -1.36 0.00 0.00 55.97 54.41 2wyi s LYS 491 Cb -0.14 -2.70 -0.01 0.00 -1.68 0.00 0.00 37.83 33.30 2wyi s LYS 491 CO 0.10 0.46 0.01 0.08 -0.76 0.00 0.00 175.35 175.24 2wyi s VAL 492 N -0.25 3.70 -0.25 3.17 1.01 0.13 -2.12 120.40 125.79 2wyi s VAL 492 Ca 0.03 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2wyi s VAL 492 Cb -0.13 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 2wyi s VAL 492 CO 0.03 0.32 0.20 -0.60 0.00 0.00 0.00 175.10 175.05 2wyi s ARG 493 N 1.51 4.04 0.13 2.72 6.06 -0.31 -0.86 118.95 132.23 2wyi s ARG 493 Ca 0.05 -0.23 -0.12 0.00 -2.50 0.00 0.00 55.73 52.93 2wyi s ARG 493 Cb -0.15 -3.58 0.01 0.00 0.06 0.00 0.00 34.95 31.28 2wyi s ARG 493 CO -0.00 -0.04 0.31 -0.48 -2.50 0.00 0.00 175.30 172.59 2wyi s LEU 494 N 1.36 0.85 0.05 -0.88 2.34 -0.28 0.15 118.68 122.28 2wyi s LEU 494 Ca 0.09 -0.59 0.09 0.00 0.06 0.00 0.00 54.13 53.78 2wyi s LEU 494 Cb -0.15 1.44 -0.03 0.00 -0.56 0.00 0.00 46.19 46.89 2wyi s LEU 494 CO 0.07 -0.84 -0.23 0.00 -1.06 0.00 0.00 176.35 174.28 2wyi s ARG 495 N -3.87 1.86 -0.23 1.48 1.70 0.06 -0.34 118.95 119.61 2wyi s ARG 495 Ca 0.08 -1.09 -0.04 0.00 -0.47 0.00 0.00 55.73 54.21 2wyi s ARG 495 Cb 0.03 -2.05 0.08 0.00 -0.57 0.00 0.00 34.95 32.44 2wyi s ARG 495 CO -0.08 0.52 0.10 -1.17 -1.08 0.00 0.00 175.30 173.58 2wyi s LEU 496 N -1.40 0.74 0.13 -1.89 2.96 0.28 -0.95 118.68 118.56 2wyi s LEU 496 Ca 0.13 -0.99 -0.31 0.00 -0.22 0.00 0.00 54.13 52.74 2wyi s LEU 496 Cb -0.10 -0.40 -0.10 0.00 0.50 0.00 0.00 46.19 46.09 2wyi s LEU 496 CO 0.04 -0.38 1.72 -2.84 -1.32 0.00 0.00 176.35 173.57 2wyi s PRO 497 N 2.03 4.16 -0.10 0.98 0.02 -1.26 -0.45 135.00 140.37 2wyi s PRO 497 Ca 0.05 2.49 -0.23 0.00 0.02 0.00 0.00 61.00 63.32 2wyi s PRO 497 Cb -0.16 -3.44 0.05 0.00 0.02 0.00 0.00 34.50 30.97 2wyi s PRO 497 CO -0.20 -0.76 0.55 -1.50 -0.33 0.00 0.00 177.00 174.76 2wyi s ILE 498 N 2.21 0.01 -0.22 2.83 2.07 -0.43 -4.91 121.20 122.77 2wyi s ILE 498 Ca 0.76 -0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.88 2wyi s ILE 498 Cb -0.45 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.33 2wyi s ILE 498 CO 0.34 -0.07 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.29 2wyi s THR 499 N -0.70 2.58 -0.19 4.00 2.01 -1.26 -1.87 115.64 120.21 2wyi s THR 499 Ca -0.08 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.94 2wyi s THR 499 Cb -0.03 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 2wyi s THR 499 CO 0.05 0.36 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.53 2wyi s LEU 500 N 1.32 3.00 0.88 4.42 1.43 0.36 -4.92 118.68 125.18 2wyi s LEU 500 Ca 0.02 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 2wyi s LEU 500 Cb -0.15 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.36 2wyi s LEU 500 CO -0.08 0.06 0.55 -2.65 0.23 0.00 0.00 176.35 174.47 2wyi n PRO 501 N 4.23 -0.12 -1.62 1.29 -0.02 -1.26 -0.24 135.00 137.26 2wyi n PRO 501 Ca -0.18 0.02 -0.46 0.00 -2.02 0.00 0.00 63.50 60.85 2wyi n PRO 501 Cb 0.52 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 2wyi n PRO 501 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wyi n ALA 502 N -3.33 0.03 -3.88 3.55 0.00 -1.25 -3.18 120.51 112.45 2wyi n ALA 502 Ca 0.08 0.43 -0.37 0.00 0.00 0.00 0.00 53.44 53.59 2wyi n ALA 502 Cb 0.52 -2.12 0.02 0.00 0.00 0.00 0.00 19.45 17.88 2wyi n ALA 502 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2wyi n MET 503 N 1.59 -1.06 -4.16 0.00 0.00 -0.63 -4.35 117.12 108.51 2wyi n MET 503 Ca 0.12 0.30 -0.14 0.00 -0.00 0.00 0.00 57.70 57.98 2wyi n MET 503 Cb 0.29 -3.56 -0.11 0.00 0.00 0.00 0.00 33.22 29.84 2wyi n MET 503 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2wyi s SER 504 N -3.62 1.34 0.15 6.12 0.01 -0.71 -0.33 113.70 116.66 2wyi s SER 504 Ca 0.42 -0.81 0.10 0.00 1.31 0.00 0.00 55.95 56.96 2wyi s SER 504 Cb -0.18 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 2wyi s SER 504 CO 0.91 -0.29 -0.23 -1.66 0.41 0.00 0.00 173.24 172.39 2wyi s TRP 505 N -2.51 2.09 -0.03 2.43 -2.14 -0.56 -1.03 118.94 117.18 2wyi s TRP 505 Ca 0.05 -0.40 0.01 0.00 2.66 0.00 0.00 56.10 58.41 2wyi s TRP 505 Cb -0.02 -1.08 0.02 0.00 -3.10 0.00 0.00 33.47 29.29 2wyi s TRP 505 CO -0.01 0.36 -0.02 0.21 -2.66 0.00 0.00 176.95 174.84 2wyi s LYS 506 N -2.40 0.41 -0.14 3.25 2.20 -0.60 -1.44 119.74 121.03 2wyi s LYS 506 Ca 0.15 -0.02 -0.12 0.00 -0.36 0.00 0.00 55.97 55.62 2wyi s LYS 506 Cb -0.08 -0.51 -0.05 0.00 -1.51 0.00 0.00 37.83 35.68 2wyi s LYS 506 CO 0.07 -0.07 0.26 0.99 -0.36 0.00 0.00 175.35 176.24 2wyi s THR 507 N 0.70 5.32 0.23 3.43 2.01 -0.33 -1.10 115.64 125.90 2wyi s THR 507 Ca -0.08 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.42 2wyi s THR 507 Cb -0.11 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 2wyi s THR 507 CO -0.01 0.47 0.07 0.18 -0.69 0.00 0.00 174.62 174.64 2wyi n LEU 508 N 3.03 0.00 -3.87 4.42 4.77 0.76 -4.40 117.00 121.71 2wyi n LEU 508 Ca -0.14 -1.71 -0.11 0.00 -0.03 0.00 0.00 56.01 54.02 2wyi n LEU 508 Cb 0.52 0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 42.05 2wyi n LEU 508 CO 0.37 -0.26 -0.16 0.00 -1.33 0.00 0.00 177.39 176.01 2wyi s ALA 509 N -2.60 -0.33 -0.17 -1.18 0.00 -0.47 -0.04 121.76 116.97 2wyi s ALA 509 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 2wyi s ALA 509 Cb 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2wyi s ALA 509 CO 0.07 -0.23 0.11 -1.17 0.00 0.00 0.00 175.76 174.55 2wyi s LEU 510 N -1.47 4.14 0.19 0.00 2.96 0.85 -1.49 118.68 123.86 2wyi s LEU 510 Ca -0.14 0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 2wyi s LEU 510 Cb -0.07 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2wyi s LEU 510 CO 0.01 0.25 0.39 -1.59 -1.32 0.00 0.00 176.35 174.09 2wyi s LYS 511 N -0.08 1.30 0.16 1.98 -2.85 -0.53 0.46 119.74 120.19 2wyi s LYS 511 Ca 0.09 -1.12 -0.16 0.00 -1.00 0.00 0.00 55.97 53.78 2wyi s LYS 511 Cb -0.12 0.43 -0.07 0.00 -2.06 0.00 0.00 37.83 36.01 2wyi s LYS 511 CO 0.00 -0.51 0.60 -0.51 0.10 0.00 0.00 175.35 175.03 2wyi s LEU 512 N -2.96 4.35 0.00 2.77 1.43 -1.26 -0.30 118.68 122.71 2wyi s LEU 512 Ca 0.17 1.18 -0.11 0.00 -1.03 0.00 0.00 54.13 54.34 2wyi s LEU 512 Cb 0.01 -3.33 0.04 0.00 0.03 0.00 0.00 46.19 42.95 2wyi s LEU 512 CO 0.02 0.09 0.60 0.61 0.23 0.00 0.00 176.35 177.90 2wyi n GLY 513 N 0.84 1.22 3.84 -3.19 0.00 0.31 -4.89 105.19 103.31 2wyi n GLY 513 Ca -0.05 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 2wyi n GLY 513 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wyi s ASN 514 N -2.55 6.86 0.00 1.61 0.01 -1.26 -1.28 114.94 118.32 2wyi s ASN 514 Ca 0.12 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 2wyi s ASN 514 Cb -0.04 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.19 2wyi s ASN 514 CO 0.09 -0.24 0.00 1.21 -1.51 0.00 0.00 177.10 176.65 2wyi n GLU 515 N -0.36 0.00 0.00 -0.60 4.07 -1.26 -4.88 120.64 117.61 2wyi n GLU 515 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2wyi n GLU 515 Cb 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 2wyi n GLU 515 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2wyi n THR 521 N -0.47 0.00 -3.23 6.31 -2.24 -1.26 -5.05 114.28 108.34 2wyi n THR 521 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 2wyi n THR 521 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2wyi n THR 521 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wyi s VAL 522 N -0.18 5.07 0.51 2.28 1.01 -1.26 -4.84 120.40 122.99 2wyi s VAL 522 Ca 0.00 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.90 2wyi s VAL 522 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 2wyi s VAL 522 CO 0.00 0.35 1.31 -0.44 0.00 0.00 0.00 175.10 176.31 2wyi s SER 523 N 0.34 5.58 0.29 3.32 0.01 -1.26 -4.01 113.70 117.97 2wyi s SER 523 Ca 0.30 2.64 0.04 0.00 1.31 0.00 0.00 55.95 60.24 2wyi s SER 523 Cb -0.17 -2.63 0.45 0.00 0.21 0.00 0.00 66.02 63.89 2wyi s SER 523 CO 0.14 -1.35 1.73 -0.07 0.41 0.00 0.00 173.24 174.10 2wyi h LEU 524 N 1.70 0.39 -9.11 2.44 3.38 -1.48 -3.42 115.31 109.22 2wyi h LEU 524 Ca -0.50 -0.14 -0.61 0.00 0.09 0.00 0.00 57.88 56.71 2wyi h LEU 524 Cb 1.28 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2wyi h LEU 524 CO 0.58 0.68 -0.44 -0.47 0.09 0.00 0.00 178.44 178.88 2wyi s TYR 525 N -4.39 3.34 -0.42 1.13 5.04 -1.26 -1.48 117.35 119.31 2wyi s TYR 525 Ca -0.06 0.31 -0.17 0.00 -2.44 0.00 0.00 57.07 54.71 2wyi s TYR 525 Cb 0.14 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 40.16 2wyi s TYR 525 CO 0.78 0.07 0.41 0.34 -1.34 0.00 0.00 175.55 175.81 2wyi s ASP 526 N 1.00 6.18 0.37 4.32 -1.08 0.96 -4.97 116.67 123.45 2wyi s ASP 526 Ca 0.10 -0.70 0.14 0.00 -0.52 0.00 0.00 52.55 51.56 2wyi s ASP 526 Cb -0.14 -2.21 0.73 0.00 -1.46 0.00 0.00 42.92 39.84 2wyi s ASP 526 CO 0.05 -0.56 1.81 -0.78 0.52 0.00 0.00 175.17 176.21 2wyi h ASP 527 N 8.71 0.00 1.71 -0.34 3.58 -1.97 -1.90 116.42 126.21 2wyi h ASP 527 Ca -0.27 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 2wyi h ASP 527 Cb 1.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.16 2wyi h ASP 527 CO 0.78 0.38 -0.30 0.77 -2.88 0.00 0.00 179.24 178.00 2wyi h SER 528 N 0.00 0.00 -0.01 2.28 4.64 -1.97 -3.32 113.55 115.17 2wyi h SER 528 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wyi h SER 528 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2wyi h SER 528 CO 0.05 0.21 -0.14 -3.20 -0.87 0.00 0.00 176.83 172.88 2wyi n ASN 529 N -3.12 1.65 -4.00 4.97 5.15 -1.09 -5.00 115.26 113.81 2wyi n ASN 529 Ca 0.03 -1.32 -0.35 0.00 -0.60 0.00 0.00 54.58 52.33 2wyi n ASN 529 Cb 0.62 0.26 -0.01 0.00 -0.53 0.00 0.00 39.78 40.12 2wyi n ASN 529 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wyi n GLN 530 N 0.19 -1.35 -3.80 1.20 1.13 -0.78 -4.71 117.38 109.27 2wyi n GLN 530 Ca 0.06 0.25 -0.22 0.00 -1.94 0.00 0.00 57.00 55.15 2wyi n GLN 530 Cb 0.28 -3.60 -0.17 0.00 0.11 0.00 0.00 30.24 26.85 2wyi n GLN 530 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wyi s LEU 532 N 1.84 4.24 -0.10 0.00 1.43 0.65 -0.03 118.68 126.71 2wyi s LEU 532 Ca 0.03 0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 53.67 2wyi s LEU 532 Cb -0.12 -2.49 0.05 0.00 0.03 0.00 0.00 46.19 43.66 2wyi s LEU 532 CO -0.04 0.04 0.23 -0.70 0.23 0.00 0.00 176.35 176.11 2wyi s GLU 533 N 0.65 0.18 0.00 1.70 2.12 -0.55 0.10 118.70 122.91 2wyi s GLU 533 Ca 0.20 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.07 2wyi s GLU 533 Cb -0.14 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.13 2wyi s GLU 533 CO 0.06 -0.19 0.00 0.27 -0.54 0.00 0.00 175.26 174.87 2wyi n ASN 534 N 4.43 0.90 0.14 -1.70 0.23 -0.71 -4.70 115.26 113.85 2wyi n ASN 534 Ca -0.22 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.96 2wyi n ASN 534 Cb 0.52 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.68 2wyi n ASN 534 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2wyi h GLY 535 N 0.00 0.00 0.00 4.83 0.00 -1.93 -3.34 103.07 102.63 2wyi h GLY 535 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 2wyi h GLY 535 CO 0.00 0.00 -1.92 0.69 0.00 0.00 0.00 176.54 175.31 2wyi n PHE 536 N -2.41 0.00 -3.98 5.60 3.72 -1.26 -4.74 117.46 114.39 2wyi n PHE 536 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 2wyi n PHE 536 Cb 0.34 -0.63 -0.12 0.00 -0.94 0.00 0.00 39.48 38.13 2wyi n PHE 536 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2wyi s LEU 537 N -5.67 2.18 -0.23 4.37 1.43 -1.26 -1.12 118.68 118.39 2wyi s LEU 537 Ca -0.18 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2wyi s LEU 537 Cb 0.05 0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.31 2wyi s LEU 537 CO 0.42 -0.21 -0.10 -0.75 0.23 0.00 0.00 176.35 175.94 2wyi s LYS 538 N -1.13 2.87 -0.29 1.70 2.20 -0.21 -1.73 119.74 123.15 2wyi s LYS 538 Ca -0.11 -0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 54.52 2wyi s LYS 538 Cb -0.08 -2.88 0.03 0.00 -1.51 0.00 0.00 37.83 33.40 2wyi s LYS 538 CO -0.01 -0.35 0.03 0.08 -0.36 0.00 0.00 175.35 174.74 2wyi s VAL 539 N 1.31 3.38 -0.15 4.02 1.01 0.29 -0.75 120.40 129.51 2wyi s VAL 539 Ca 0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 2wyi s VAL 539 Cb -0.16 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2wyi s VAL 539 CO -0.06 0.02 0.19 -0.04 0.00 0.00 0.00 175.10 175.21 2wyi s MET 540 N 1.37 3.99 -0.35 2.72 -1.94 0.05 -0.25 119.30 124.90 2wyi s MET 540 Ca -0.01 -0.07 -0.20 0.00 -1.71 0.00 0.00 55.69 53.71 2wyi s MET 540 Cb -0.18 -3.35 -0.00 0.00 2.01 0.00 0.00 34.83 33.31 2wyi s MET 540 CO -0.00 0.44 0.59 0.42 -0.01 0.00 0.00 175.02 176.46 2wyi s ILE 541 N -0.07 4.94 0.70 2.53 1.01 0.47 -1.83 121.20 128.94 2wyi s ILE 541 Ca 0.13 0.53 -0.13 0.00 0.00 0.00 0.00 60.65 61.17 2wyi s ILE 541 Cb -0.12 -4.03 0.02 0.00 0.01 0.00 0.00 42.46 38.34 2wyi s ILE 541 CO 0.02 -0.26 1.10 -1.10 0.00 0.00 0.00 174.94 174.70 2wyi s GLN 542 N 2.59 2.58 0.54 2.79 -0.21 -0.13 -4.87 119.66 122.96 2wyi s GLN 542 Ca 0.22 1.32 0.22 0.00 0.02 0.00 0.00 55.36 57.14 2wyi s GLN 542 Cb -0.15 -1.93 1.45 0.00 1.00 0.00 0.00 33.01 33.38 2wyi s GLN 542 CO 0.14 -1.41 2.13 1.79 -2.12 0.00 0.00 175.29 175.82 2wyi h THR 543 N -0.41 0.79 -0.01 -0.19 1.35 -1.96 -0.06 112.91 112.42 2wyi h THR 543 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2wyi h THR 543 Cb 1.24 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2wyi h THR 543 CO 0.53 0.00 -0.02 -0.90 -0.25 0.00 0.00 175.52 174.88 2wyi n ASP 544 N -4.28 0.87 0.00 5.36 5.75 -1.26 -4.89 116.55 118.10 2wyi n ASP 544 Ca -0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 2wyi n ASP 544 Cb 0.22 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 2wyi n ASP 544 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wyi n GLY 545 N 1.13 0.91 3.87 6.12 0.00 -0.04 -4.39 105.19 112.80 2wyi n GLY 545 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2wyi n GLY 545 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wyi s ARG 546 N -0.84 1.48 -0.06 1.61 0.52 -1.26 -4.70 118.95 115.70 2wyi s ARG 546 Ca 0.00 0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.32 2wyi s ARG 546 Cb 0.00 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 2wyi s ARG 546 CO 0.00 -1.92 -0.19 -0.51 0.02 0.00 0.00 175.30 172.70 2wyi s LEU 547 N -5.77 2.44 -0.29 2.53 1.43 0.34 -0.95 118.68 118.41 2wyi s LEU 547 Ca 0.64 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2wyi s LEU 547 Cb -0.11 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.64 2wyi s LEU 547 CO 0.51 0.28 0.09 -0.89 0.23 0.00 0.00 176.35 176.57 2wyi s THR 548 N -0.36 4.05 -0.17 5.49 2.01 -0.76 -0.51 115.64 125.39 2wyi s THR 548 Ca 0.03 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 2wyi s THR 548 Cb -0.12 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 2wyi s THR 548 CO 0.02 0.09 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.32 2wyi s ILE 549 N 1.52 3.17 -0.19 1.82 1.01 0.50 -0.77 121.20 128.26 2wyi s ILE 549 Ca 0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 2wyi s ILE 549 Cb -0.17 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 2wyi s ILE 549 CO 0.03 0.49 -0.04 -0.89 0.00 0.00 0.00 174.94 174.53 2wyi s THR 550 N 0.79 3.66 -0.28 2.92 2.01 0.07 -0.56 115.64 124.24 2wyi s THR 550 Ca -0.04 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 2wyi s THR 550 Cb -0.15 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.74 2wyi s THR 550 CO 0.01 0.45 1.06 -0.62 -0.69 0.00 0.00 174.62 174.83 2wyi s ASP 551 N 0.90 6.99 0.00 3.53 -1.08 -0.56 -1.05 116.67 125.40 2wyi s ASP 551 Ca -0.00 1.17 0.26 0.00 -0.52 0.00 0.00 52.55 53.46 2wyi s ASP 551 Cb -0.15 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 39.90 2wyi s ASP 551 CO 0.01 -0.79 1.83 0.29 0.52 0.00 0.00 175.17 177.03 2wyi n LYS 552 N 6.64 0.04 -0.13 4.34 5.02 -0.27 -0.41 118.16 133.39 2wyi n LYS 552 Ca 0.12 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.22 2wyi n LYS 552 Cb 0.47 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 2wyi n LYS 552 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2wyi n GLN 553 N -1.48 0.60 0.03 1.97 6.02 -1.26 -4.62 117.38 118.64 2wyi n GLN 553 Ca 0.07 0.21 -0.11 0.00 -0.01 0.00 0.00 57.00 57.16 2wyi n GLN 553 Cb 0.29 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 2wyi n GLN 553 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wyi h SER 554 N -0.55 0.12 0.00 1.08 4.64 -1.93 -3.48 113.55 113.43 2wyi h SER 554 Ca -0.64 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 2wyi h SER 554 Cb 1.73 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2wyi h SER 554 CO -0.27 1.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 2wyi n GLY 555 N 1.53 0.36 3.74 -0.77 0.00 0.45 -5.05 105.19 105.45 2wyi n GLY 555 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2wyi n GLY 555 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wyi s LEU 556 N 0.00 4.44 -0.15 0.99 1.02 -1.25 -4.72 118.68 119.01 2wyi s LEU 556 Ca 0.00 2.39 -0.03 0.00 0.02 0.00 0.00 54.13 56.51 2wyi s LEU 556 Cb 0.00 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.57 2wyi s LEU 556 CO 0.00 -0.46 -0.04 -0.63 0.02 0.00 0.00 176.35 175.25 2wyi s ILE 557 N -0.22 3.91 -0.24 -0.59 1.01 -1.26 -1.50 121.20 122.31 2wyi s ILE 557 Ca 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2wyi s ILE 557 Cb -0.36 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.45 2wyi s ILE 557 CO 0.40 0.50 -0.10 -0.31 0.00 0.00 0.00 174.94 175.43 2wyi s TYR 558 N 0.26 3.08 0.36 3.97 2.02 0.28 -4.99 117.35 122.32 2wyi s TYR 558 Ca -0.03 -1.83 0.02 0.00 -0.37 0.00 0.00 57.07 54.86 2wyi s TYR 558 Cb -0.14 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 2wyi s TYR 558 CO 0.03 -0.80 0.54 -0.65 -1.57 0.00 0.00 175.55 173.10 2wyi s GLN 559 N 1.24 3.30 -1.53 -0.62 -0.21 -1.26 -0.37 119.66 120.21 2wyi s GLN 559 Ca -0.02 -0.56 -0.04 0.00 0.02 0.00 0.00 55.36 54.76 2wyi s GLN 559 Cb -0.17 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.16 2wyi s GLN 559 CO -0.06 0.06 0.45 -0.25 -2.12 0.00 0.00 175.29 173.36 2wyi n ASP 560 N -1.79 -5.61 -4.88 5.90 8.00 -0.93 -4.86 116.55 112.38 2wyi n ASP 560 Ca -0.03 -0.22 -0.30 0.00 0.71 0.00 0.00 54.79 54.95 2wyi n ASP 560 Cb 0.57 -4.58 0.04 0.00 -0.02 0.00 0.00 41.12 37.13 2wyi n ASP 560 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wyi s LEU 561 N -6.48 2.92 -0.86 0.64 1.43 0.33 -4.48 118.68 112.17 2wyi s LEU 561 Ca 0.24 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.48 2wyi s LEU 561 Cb -0.11 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 2wyi s LEU 561 CO 0.30 -1.33 0.75 -0.11 0.23 0.00 0.00 176.35 176.19 2wyi n LEU 562 N -3.00 -4.64 -4.71 1.79 7.94 -0.78 -0.50 117.00 113.10 2wyi n LEU 562 Ca 0.07 -0.55 -0.35 0.00 -1.11 0.00 0.00 56.01 54.07 2wyi n LEU 562 Cb 0.57 -2.65 -0.09 0.00 0.53 0.00 0.00 43.42 41.78 2wyi n LEU 562 CO 0.58 0.13 -0.22 -0.60 -1.11 0.00 0.00 177.39 176.17 2wyi s ARG 563 N -4.32 3.91 -0.18 1.96 3.52 -0.84 -4.63 118.95 118.36 2wyi s ARG 563 Ca 0.29 -0.27 -0.11 0.00 -0.13 0.00 0.00 55.73 55.50 2wyi s ARG 563 Cb -0.04 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 2wyi s ARG 563 CO 0.59 0.39 0.19 -0.06 -0.81 0.00 0.00 175.30 175.60 2wyi s PHE 564 N 0.07 3.44 -0.09 5.12 0.08 -1.26 0.23 117.98 125.57 2wyi s PHE 564 Ca 0.07 0.45 0.02 0.00 0.12 0.00 0.00 56.93 57.59 2wyi s PHE 564 Cb -0.12 -2.22 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2wyi s PHE 564 CO 0.00 0.29 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.29 2wyi s GLU 565 N 0.32 1.88 -0.16 0.44 2.12 -0.02 -2.21 118.70 121.08 2wyi s GLU 565 Ca 0.12 -0.45 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2wyi s GLU 565 Cb -0.12 -1.61 0.00 0.00 0.26 0.00 0.00 34.13 32.66 2wyi s GLU 565 CO 0.01 -0.04 -0.16 0.34 -0.54 0.00 0.00 175.26 174.87 2wyi s ASP 566 N 0.91 3.57 0.18 -1.70 2.15 0.21 -0.88 116.67 121.11 2wyi s ASP 566 Ca -0.09 -0.51 0.09 0.00 0.43 0.00 0.00 52.55 52.47 2wyi s ASP 566 Cb -0.15 -1.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 2wyi s ASP 566 CO 0.00 0.06 -0.18 0.00 -0.17 0.00 0.00 175.17 174.88 2wyi s GLY 568 N -2.77 2.40 -0.15 0.00 0.00 -1.26 0.07 107.32 105.61 2wyi s GLY 568 Ca 0.17 0.79 -0.04 0.00 0.00 0.00 0.00 44.72 45.64 2wyi s GLY 568 CO 0.07 1.17 0.12 -0.35 0.00 0.00 0.00 173.10 174.11 2wyi s ASP 569 N -2.10 1.83 -0.26 1.64 -1.08 -0.45 -4.20 116.67 112.06 2wyi s ASP 569 Ca 0.72 -0.34 0.12 0.00 -0.52 0.00 0.00 52.55 52.53 2wyi s ASP 569 Cb -0.26 -0.06 0.59 0.00 -1.46 0.00 0.00 42.92 41.72 2wyi s ASP 569 CO 0.39 -0.32 1.55 2.30 0.52 0.00 0.00 175.17 179.62 2wyi n ILE 570 N 5.29 2.57 -0.43 4.11 -5.35 0.46 -4.04 119.36 121.98 2wyi n ILE 570 Ca -0.06 -2.07 0.00 0.00 -0.27 0.00 0.00 62.75 60.35 2wyi n ILE 570 Cb 0.49 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 2wyi n ILE 570 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wyi n GLY 571 N -0.62 1.50 0.00 3.28 0.00 -1.25 -4.83 105.19 103.27 2wyi n GLY 571 Ca 0.31 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2wyi n GLY 571 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wyi n ASN 572 N 0.00 0.23 0.08 1.61 0.23 -0.50 -4.59 115.26 112.31 2wyi n ASN 572 Ca 0.00 -0.08 0.13 0.00 -0.53 0.00 0.00 54.58 54.10 2wyi n ASN 572 Cb 0.00 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.16 2wyi n ASN 572 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2wyi n GLU 573 N 0.00 0.18 -0.09 -3.83 1.02 -0.40 -3.57 120.64 113.96 2wyi n GLU 573 Ca 0.00 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2wyi n GLU 573 Cb 0.00 -1.72 -0.15 0.00 -0.02 0.00 0.00 31.44 29.54 2wyi n GLU 573 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wyi n TYR 574 N -2.05 0.12 -3.76 -0.32 4.01 -1.25 -3.94 117.16 109.97 2wyi n TYR 574 Ca 0.06 0.04 -0.15 0.00 -0.16 0.00 0.00 57.90 57.69 2wyi n TYR 574 Cb 0.39 -1.02 -0.16 0.00 -0.31 0.00 0.00 39.34 38.24 2wyi n TYR 574 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2wyi s ILE 575 N -2.51 -0.06 -0.08 -0.72 1.01 -1.23 -3.11 121.20 114.49 2wyi s ILE 575 Ca -0.13 0.23 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 2wyi s ILE 575 Cb 0.07 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.38 2wyi s ILE 575 CO 0.80 0.09 0.45 -0.55 0.00 0.00 0.00 174.94 175.74 2wyi s SER 576 N 1.15 6.72 -0.08 3.58 0.15 -1.26 -1.42 113.70 122.55 2wyi s SER 576 Ca -0.08 0.85 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 2wyi s SER 576 Cb -0.13 -2.28 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 2wyi s SER 576 CO -0.03 0.10 -0.02 -0.60 1.20 0.00 0.00 173.24 173.88 2wyi s ARG 577 N 0.12 0.84 0.16 5.44 6.06 -1.26 -4.91 118.95 125.40 2wyi s ARG 577 Ca 0.25 0.00 -0.28 0.00 -2.50 0.00 0.00 55.73 53.20 2wyi s ARG 577 Cb -0.16 -1.10 -0.07 0.00 0.06 0.00 0.00 34.95 33.68 2wyi s ARG 577 CO 0.11 -0.27 0.89 -0.65 -2.50 0.00 0.00 175.30 172.88 2wyi s GLN 578 N 1.80 4.70 1.12 5.12 1.11 -1.26 -0.40 119.66 131.84 2wyi s GLN 578 Ca 0.03 1.35 -0.14 0.00 0.01 0.00 0.00 55.36 56.61 2wyi s GLN 578 Cb -0.13 -3.32 0.25 0.00 -1.01 0.00 0.00 33.01 28.81 2wyi s GLN 578 CO -0.05 0.40 1.06 -1.25 0.01 0.00 0.00 175.29 175.45 2wyi s PRO 579 N -0.64 -0.52 0.28 2.91 0.04 -1.26 -4.92 135.00 130.90 2wyi s PRO 579 Ca 0.41 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2wyi s PRO 579 Cb -0.24 -1.62 -0.12 0.00 0.04 0.00 0.00 34.50 32.56 2wyi s PRO 579 CO 0.29 -3.38 1.54 0.09 0.04 0.00 0.00 177.00 175.58 2wyi n ASN 580 N -4.64 3.57 -4.02 6.66 3.02 -1.26 -2.71 115.26 115.89 2wyi n ASN 580 Ca 0.05 1.15 -0.31 0.00 -0.03 0.00 0.00 54.58 55.43 2wyi n ASN 580 Cb 0.56 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 2wyi n ASN 580 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wyi n HIS 581 N 2.02 -2.01 -2.69 3.10 1.44 -1.26 -4.89 115.22 110.93 2wyi n HIS 581 Ca 0.09 0.85 -0.43 0.00 -2.01 0.00 0.00 57.72 56.22 2wyi n HIS 581 Cb 0.35 -3.61 -0.02 0.00 0.12 0.00 0.00 29.99 26.83 2wyi n HIS 581 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2wyi s ASP 582 N -3.49 7.07 -0.18 4.39 2.15 -1.10 -5.04 116.67 120.47 2wyi s ASP 582 Ca 0.58 1.34 -0.07 0.00 0.43 0.00 0.00 52.55 54.83 2wyi s ASP 582 Cb -0.30 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 39.75 2wyi s ASP 582 CO 0.87 -0.64 0.05 -1.10 -0.17 0.00 0.00 175.17 174.18 2wyi s GLN 583 N 3.09 3.90 0.56 4.34 -1.52 -1.26 -5.01 119.66 123.76 2wyi s GLN 583 Ca 0.43 -0.38 -0.21 0.00 -1.95 0.00 0.00 55.36 53.25 2wyi s GLN 583 Cb -0.15 -3.18 -0.04 0.00 -0.22 0.00 0.00 33.01 29.41 2wyi s GLN 583 CO 0.07 0.22 1.33 -2.14 -0.25 0.00 0.00 175.29 174.52 2wyi s PRO 584 N 0.49 3.07 -0.16 2.91 0.02 -1.26 -4.90 135.00 135.17 2wyi s PRO 584 Ca 0.02 2.17 -0.07 0.00 0.02 0.00 0.00 61.00 63.14 2wyi s PRO 584 Cb -0.13 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.17 2wyi s PRO 584 CO 0.01 -1.22 0.07 -0.06 -0.33 0.00 0.00 177.00 175.47 2wyi s PHE 585 N -1.34 3.32 -0.11 6.54 0.08 -0.10 -4.94 117.98 121.43 2wyi s PHE 585 Ca 0.73 0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.99 2wyi s PHE 585 Cb -0.39 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2wyi s PHE 585 CO 0.45 0.33 -0.13 0.71 -0.10 0.00 0.00 175.22 176.48 2wyi s TYR 586 N -0.12 2.78 0.40 0.36 2.02 -1.26 -0.62 117.35 120.91 2wyi s TYR 586 Ca 0.07 -0.51 0.12 0.00 -0.37 0.00 0.00 57.07 56.39 2wyi s TYR 586 Cb -0.12 -1.78 0.82 0.00 -0.40 0.00 0.00 41.96 40.47 2wyi s TYR 586 CO 0.01 -0.10 1.89 0.00 -1.57 0.00 0.00 175.55 175.78 2wyi h ALA 587 N 6.32 1.50 0.00 3.71 0.00 -1.86 -2.04 119.26 126.89 2wyi h ALA 587 Ca -0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wyi h ALA 587 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wyi h ALA 587 CO 0.54 0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.76 2wyi n ASP 588 N -4.20 0.21 -0.81 0.00 5.75 -1.26 -1.52 116.55 114.71 2wyi n ASP 588 Ca -0.02 0.56 0.10 0.00 -0.01 0.00 0.00 54.79 55.43 2wyi n ASP 588 Cb 0.33 -0.60 0.29 0.00 -1.03 0.00 0.00 41.12 40.11 2wyi n ASP 588 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wyi n GLN 589 N -1.74 2.05 0.00 0.11 6.02 -0.77 -4.82 117.38 118.23 2wyi n GLN 589 Ca 0.02 -1.59 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 2wyi n GLN 589 Cb 0.14 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.97 2wyi n GLN 589 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wyi n GLY 590 N 1.28 2.21 3.75 1.08 0.00 -0.58 -5.05 105.19 107.87 2wyi n GLY 590 Ca 0.17 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2wyi n GLY 590 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wyi s THR 591 N 2.96 5.40 -0.12 2.61 2.01 0.10 -4.91 115.64 123.69 2wyi s THR 591 Ca 0.00 0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2wyi s THR 591 Cb 0.00 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 2wyi s THR 591 CO 0.00 0.45 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.57 2wyi s ILE 592 N 0.20 2.48 -0.02 1.82 -1.09 -1.26 -1.00 121.20 122.32 2wyi s ILE 592 Ca 0.10 -0.86 0.04 0.00 -2.23 0.00 0.00 60.65 57.71 2wyi s ILE 592 Cb -0.11 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2wyi s ILE 592 CO -0.00 0.54 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.55 2wyi s LYS 593 N 0.46 1.41 0.03 2.79 3.01 -0.29 -5.00 119.74 122.15 2wyi s LYS 593 Ca -0.13 -0.55 0.03 0.00 -1.01 0.00 0.00 55.97 54.31 2wyi s LYS 593 Cb -0.17 -1.30 -0.04 0.00 -1.01 0.00 0.00 37.83 35.31 2wyi s LYS 593 CO 0.06 0.28 -0.01 -0.51 0.51 0.00 0.00 175.35 175.68 2wyi s LEU 594 N -0.17 3.45 -0.16 3.17 1.02 -1.26 -0.93 118.68 123.80 2wyi s LEU 594 Ca 0.02 -0.09 -0.06 0.00 0.02 0.00 0.00 54.13 54.02 2wyi s LEU 594 Cb -0.08 -2.05 0.07 0.00 0.02 0.00 0.00 46.19 44.15 2wyi s LEU 594 CO 0.00 0.24 0.34 0.21 0.02 0.00 0.00 176.35 177.16 2wyi s ASN 595 N -1.80 -0.02 -0.33 2.29 2.47 -0.58 -5.01 114.94 111.97 2wyi s ASN 595 Ca 0.21 0.78 -0.25 0.00 0.42 0.00 0.00 52.86 54.02 2wyi s ASN 595 Cb -0.12 0.94 0.01 0.00 -1.45 0.00 0.00 41.25 40.64 2wyi s ASN 595 CO 0.13 -0.23 0.87 -0.63 -3.72 0.00 0.00 177.10 173.52 2wyi s ILE 596 N 2.31 4.69 -0.10 -5.21 1.01 -1.26 -0.18 121.20 122.46 2wyi s ILE 596 Ca -0.02 1.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.69 2wyi s ILE 596 Cb -0.12 -4.24 -0.28 0.00 0.01 0.00 0.00 42.46 37.84 2wyi s ILE 596 CO -0.11 -0.37 0.66 0.40 0.00 0.00 0.00 174.94 175.52 2wyi h ILE 597 N 5.68 1.28 -3.23 2.92 1.08 -1.47 -3.49 117.51 120.29 2wyi h ILE 597 Ca -0.23 -2.41 -0.05 0.00 -0.39 0.00 0.00 64.86 61.77 2wyi h ILE 597 Cb 1.09 2.92 -0.14 0.00 -3.07 0.00 0.00 36.82 37.61 2wyi h ILE 597 CO 0.93 0.65 -0.04 -0.94 -0.69 0.00 0.00 178.15 178.07 2wyi s SER 598 N -6.88 -0.30 -0.29 1.72 1.04 -1.12 -4.96 113.70 102.91 2wyi s SER 598 Ca -0.19 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.09 2wyi s SER 598 Cb 0.02 0.48 0.20 0.00 0.10 0.00 0.00 66.02 66.82 2wyi s SER 598 CO 0.76 -0.82 0.63 0.21 0.98 0.00 0.00 173.24 174.99 2wyi s ASN 599 N -2.59 -1.49 0.26 7.02 2.47 -1.26 -0.97 114.94 118.39 2wyi s ASN 599 Ca 0.01 0.36 0.04 0.00 0.42 0.00 0.00 52.86 53.69 2wyi s ASN 599 Cb 0.01 2.02 -0.01 0.00 -1.45 0.00 0.00 41.25 41.81 2wyi s ASN 599 CO -0.10 -0.27 0.14 0.35 -3.72 0.00 0.00 177.10 173.50 2wyi n THR 600 N 5.41 0.00 0.34 -5.21 -2.24 0.39 -4.87 114.28 108.10 2wyi n THR 600 Ca 0.03 -1.65 0.14 0.00 -2.27 0.00 0.00 64.05 60.31 2wyi n THR 600 Cb 0.53 0.69 0.59 0.00 -2.10 0.00 0.00 70.33 70.05 2wyi n THR 600 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wyi h ALA 601 N 1.58 1.00 0.00 6.98 0.00 -1.89 -1.10 119.26 125.83 2wyi h ALA 601 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.33 2wyi h ALA 601 Cb 0.83 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2wyi h ALA 601 CO 0.30 0.00 -2.46 1.04 0.00 0.00 0.00 179.25 178.13 2wyi n GLN 602 N -2.57 0.66 -3.76 0.00 1.13 -1.26 -4.61 117.38 106.96 2wyi n GLN 602 Ca 0.01 0.14 -0.13 0.00 -1.94 0.00 0.00 57.00 55.08 2wyi n GLN 602 Cb 0.25 -1.53 -0.10 0.00 0.11 0.00 0.00 30.24 28.97 2wyi n GLN 602 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2wyi s VAL 603 N -2.52 0.02 0.01 5.09 0.11 -1.25 -0.48 120.40 121.38 2wyi s VAL 603 Ca -0.32 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 2wyi s VAL 603 Cb 0.09 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.41 2wyi s VAL 603 CO 0.63 -0.08 -0.10 0.00 -3.33 0.00 0.00 175.10 172.21 2wyi s ALA 604 N -0.29 0.85 -0.16 1.54 0.00 -0.45 -0.46 121.76 122.78 2wyi s ALA 604 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2wyi s ALA 604 Cb -0.03 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2wyi s ALA 604 CO 0.02 0.18 -0.09 -1.21 0.00 0.00 0.00 175.76 174.65 2wyi s GLU 605 N -0.58 1.82 -0.07 0.00 2.02 -0.14 -1.54 118.70 120.22 2wyi s GLU 605 Ca 0.02 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.50 2wyi s GLU 605 Cb -0.05 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.11 2wyi s GLU 605 CO 0.00 -0.35 -0.23 -1.17 0.02 0.00 0.00 175.26 173.53 2wyi s LEU 606 N 1.55 2.03 -0.22 1.80 2.96 0.14 -1.06 118.68 125.89 2wyi s LEU 606 Ca 0.02 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 2wyi s LEU 606 Cb -0.14 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 2wyi s LEU 606 CO -0.09 0.19 0.08 -1.61 -1.32 0.00 0.00 176.35 173.61 2wyi s GLU 607 N 0.07 3.87 -0.28 1.98 2.02 0.75 0.55 118.70 127.65 2wyi s GLU 607 Ca -0.09 -0.39 -0.08 0.00 0.02 0.00 0.00 54.97 54.43 2wyi s GLU 607 Cb -0.15 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 2wyi s GLU 607 CO 0.05 0.07 0.10 0.42 0.02 0.00 0.00 175.26 175.92 2wyi s ILE 608 N 0.95 4.35 -0.15 -1.63 1.01 -0.10 -1.53 121.20 124.10 2wyi s ILE 608 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 2wyi s ILE 608 Cb -0.14 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2wyi s ILE 608 CO 0.03 0.19 -0.07 -1.58 0.00 0.00 0.00 174.94 173.51 2wyi s GLN 609 N 1.59 3.55 -0.08 2.79 0.74 -0.10 -1.41 119.66 126.74 2wyi s GLN 609 Ca 0.05 -0.58 0.05 0.00 0.05 0.00 0.00 55.36 54.93 2wyi s GLN 609 Cb -0.16 -2.82 -0.01 0.00 1.10 0.00 0.00 33.01 31.12 2wyi s GLN 609 CO 0.04 0.21 -0.25 -0.65 -0.55 0.00 0.00 175.29 174.10 2wyi s GLN 610 N 0.42 2.79 -0.18 1.67 1.11 0.09 -1.14 119.66 124.42 2wyi s GLN 610 Ca -0.06 -0.89 -0.02 0.00 0.01 0.00 0.00 55.36 54.40 2wyi s GLN 610 Cb -0.15 -2.23 -0.01 0.00 -1.01 0.00 0.00 33.01 29.62 2wyi s GLN 610 CO 0.04 0.29 -0.10 0.99 0.01 0.00 0.00 175.29 176.51 2wyi s THR 611 N 0.07 3.01 -0.03 -0.19 2.01 -0.17 -0.53 115.64 119.81 2wyi s THR 611 Ca -0.11 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.15 2wyi s THR 611 Cb -0.16 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.05 2wyi s THR 611 CO 0.06 0.48 0.22 0.72 -0.69 0.00 0.00 174.62 175.41 2wyi s PHE 612 N 1.01 -0.12 -0.05 4.92 -0.00 -0.82 -0.72 117.98 122.21 2wyi s PHE 612 Ca -0.01 0.23 -0.25 0.00 -0.00 0.00 0.00 56.93 56.90 2wyi s PHE 612 Cb -0.15 0.04 -0.03 0.00 -0.00 0.00 0.00 43.02 42.88 2wyi s PHE 612 CO -0.02 -0.27 0.79 0.00 -0.00 0.00 0.00 175.22 175.73 2wyi s ALA 613 N -0.89 3.29 0.21 1.99 0.00 -1.26 -0.91 121.76 124.19 2wyi s ALA 613 Ca -0.10 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.19 2wyi s ALA 613 Cb -0.05 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2wyi s ALA 613 CO 0.02 -0.17 -0.14 0.96 0.00 0.00 0.00 175.76 176.43 2wyi s ILE 614 N 0.93 1.72 0.35 0.00 -4.36 -0.47 -4.89 121.20 114.47 2wyi s ILE 614 Ca 0.42 -2.21 -0.29 0.00 -0.26 0.00 0.00 60.65 58.32 2wyi s ILE 614 Cb -0.19 -2.06 -0.12 0.00 1.25 0.00 0.00 42.46 41.35 2wyi s ILE 614 CO 0.21 -0.58 1.47 -2.65 0.24 0.00 0.00 174.94 173.62 2wyi n PRO 615 N -0.39 2.54 0.24 0.37 -0.02 -1.26 -0.67 135.00 135.81 2wyi n PRO 615 Ca -0.08 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.43 2wyi n PRO 615 Cb 0.61 -2.60 0.39 0.00 -0.02 0.00 0.00 33.50 31.88 2wyi n PRO 615 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2wyi h ILE 616 N 2.95 0.04 -1.97 4.25 3.07 -1.63 -3.44 117.51 120.77 2wyi h ILE 616 Ca -0.49 -0.83 0.04 0.00 1.55 0.00 0.00 64.86 65.14 2wyi h ILE 616 Cb 1.25 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 39.59 2wyi h ILE 616 CO 0.67 0.02 0.16 -1.54 -1.05 0.00 0.00 178.15 176.42 2wyi n SER 617 N -3.11 -0.58 -4.90 2.16 3.41 -1.26 -1.47 113.62 107.88 2wyi n SER 617 Ca 0.02 -1.33 -0.28 0.00 -0.26 0.00 0.00 58.87 57.02 2wyi n SER 617 Cb 0.44 0.95 0.02 0.00 -0.26 0.00 0.00 64.21 65.36 2wyi n SER 617 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wyi s ALA 618 N -1.33 3.24 1.09 7.33 0.00 -1.26 -0.56 121.76 130.28 2wyi s ALA 618 Ca 0.07 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 2wyi s ALA 618 Cb -0.01 -2.74 0.24 0.00 0.00 0.00 0.00 23.12 20.61 2wyi s ALA 618 CO 0.02 -0.68 1.18 0.16 0.00 0.00 0.00 175.76 176.44 2wyi s ASP 619 N -4.22 1.95 0.04 0.00 1.47 0.90 -4.35 116.67 112.45 2wyi s ASP 619 Ca 0.52 0.59 0.11 0.00 1.18 0.00 0.00 52.55 54.95 2wyi s ASP 619 Cb -0.11 -0.83 0.48 0.00 -0.34 0.00 0.00 42.92 42.12 2wyi s ASP 619 CO 0.48 -3.49 1.34 2.29 0.68 0.00 0.00 175.17 176.48 2wyi n LYS 620 N -4.33 0.03 0.02 2.11 -0.00 -1.26 -2.82 118.16 111.91 2wyi n LYS 620 Ca 0.13 0.37 -0.11 0.00 -0.00 0.00 0.00 58.31 58.70 2wyi n LYS 620 Cb 0.59 -1.56 0.02 0.00 -0.00 0.00 0.00 35.03 34.08 2wyi n LYS 620 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wyi h LEU 621 N 0.00 0.62 -0.89 -5.58 5.85 -1.94 -3.31 115.31 110.06 2wyi h LEU 621 Ca 0.00 -0.38 0.09 0.00 0.84 0.00 0.00 57.88 58.42 2wyi h LEU 621 Cb 0.16 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 2wyi h LEU 621 CO 0.00 1.13 0.54 0.25 -0.34 0.00 0.00 178.44 180.02 2wyi h LEU 622 N 0.38 0.81 -0.47 2.25 5.85 -1.89 -1.34 115.31 120.90 2wyi h LEU 622 Ca -0.02 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2wyi h LEU 622 Cb 1.26 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 2wyi h LEU 622 CO 0.13 0.48 0.16 -0.61 -0.34 0.00 0.00 178.44 178.26 2wyi h GLN 623 N 0.93 0.32 -0.35 1.25 5.75 -1.79 0.80 115.11 122.02 2wyi h GLN 623 Ca 0.41 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.86 2wyi h GLN 623 Cb 0.30 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2wyi h GLN 623 CO -0.22 0.21 0.08 0.00 -2.65 0.00 0.00 178.83 176.25 2wyi h ALA 624 N 1.32 1.48 -0.00 3.38 0.00 -1.42 -1.93 119.26 122.09 2wyi h ALA 624 Ca 0.22 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2wyi h ALA 624 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2wyi h ALA 624 CO -0.24 0.38 -0.88 0.93 0.00 0.00 0.00 179.25 179.45 2wyi h GLU 625 N 0.51 0.23 -0.14 0.00 5.08 -0.34 -2.76 114.58 117.15 2wyi h GLU 625 Ca 0.12 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 2wyi h GLU 625 Cb 0.21 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2wyi h GLU 625 CO -0.00 0.97 -0.44 0.52 -1.00 0.00 0.00 179.01 179.06 2wyi h MET 626 N 0.13 0.55 -0.03 2.33 2.86 -0.78 -1.60 114.93 118.40 2wyi h MET 626 Ca -0.05 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 2wyi h MET 626 Cb 1.50 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.23 2wyi h MET 626 CO 0.14 1.02 -0.03 0.93 1.06 0.00 0.00 176.91 180.03 2wyi h GLU 627 N 0.19 0.04 -0.12 1.72 5.08 -1.36 -0.91 114.58 119.21 2wyi h GLU 627 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wyi h GLU 627 Cb 1.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2wyi h GLU 627 CO 0.09 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 2wyi n ALA 628 N -2.53 2.50 -3.70 3.43 0.00 -1.04 -4.92 120.51 114.25 2wyi n ALA 628 Ca -0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 2wyi n ALA 628 Cb 0.13 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.62 2wyi n ALA 628 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wyi n VAL 629 N 0.75 -3.76 -2.28 0.00 0.31 -0.35 -4.95 118.33 108.05 2wyi n VAL 629 Ca 0.17 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 2wyi n VAL 629 Cb 0.46 -3.74 -0.03 0.00 -0.91 0.00 0.00 33.84 29.62 2wyi n VAL 629 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wyi s ILE 630 N -3.45 3.72 0.39 2.52 -1.09 -0.62 -4.99 121.20 117.67 2wyi s ILE 630 Ca 0.29 1.18 -0.25 0.00 -2.23 0.00 0.00 60.65 59.64 2wyi s ILE 630 Cb -0.14 -3.76 -0.11 0.00 -1.58 0.00 0.00 42.46 36.87 2wyi s ILE 630 CO 0.79 0.05 1.08 -0.67 -1.23 0.00 0.00 174.94 174.96 2wyi n ASP 631 N 4.53 1.62 0.27 3.58 2.03 -1.26 -4.84 116.55 122.47 2wyi n ASP 631 Ca 0.11 1.08 0.14 0.00 0.52 0.00 0.00 54.79 56.64 2wyi n ASP 631 Cb 0.44 -1.38 0.82 0.00 -0.72 0.00 0.00 41.12 40.28 2wyi n ASP 631 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2wyi h ILE 632 N 1.79 0.66 0.00 5.18 -0.00 -1.94 -1.51 117.51 121.69 2wyi h ILE 632 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.42 2wyi h ILE 632 Cb 1.33 0.97 0.00 0.00 -0.00 0.00 0.00 36.82 39.12 2wyi h ILE 632 CO 0.58 0.00 0.00 0.71 -0.00 0.00 0.00 178.15 179.44 2wyi h THR 633 N 0.00 0.00 -0.02 0.16 1.35 -1.98 -3.21 112.91 109.21 2wyi h THR 633 Ca 0.02 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2wyi h THR 633 Cb 0.10 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2wyi h THR 633 CO -0.00 0.00 -0.22 -0.62 -0.25 0.00 0.00 175.52 174.43 2wyi n GLU 634 N -2.33 1.60 -2.33 4.72 1.02 -0.57 -5.01 120.64 117.74 2wyi n GLU 634 Ca 0.04 -1.22 -0.41 0.00 -0.02 0.00 0.00 57.16 55.54 2wyi n GLU 634 Cb 0.35 -1.36 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 2wyi n GLU 634 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wyi s ARG 635 N -1.89 4.45 0.00 3.49 0.52 -1.22 -4.94 118.95 119.36 2wyi s ARG 635 Ca 0.18 1.92 0.19 0.00 -0.52 0.00 0.00 55.73 57.50 2wyi s ARG 635 Cb 0.15 -3.25 0.19 0.00 0.52 0.00 0.00 34.95 32.56 2wyi s ARG 635 CO 0.37 -0.18 1.13 1.04 0.02 0.00 0.00 175.30 177.68 2wyi n GLN 636 N 2.84 1.74 -2.00 3.54 1.13 -1.26 -4.74 117.38 118.62 2wyi n GLN 636 Ca 0.06 -1.71 -0.37 0.00 -1.94 0.00 0.00 57.00 53.04 2wyi n GLN 636 Cb 0.44 -1.37 0.02 0.00 0.11 0.00 0.00 30.24 29.44 2wyi n GLN 636 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wyi s ALA 637 N -1.52 2.84 0.43 -1.58 0.00 -1.26 -4.89 121.76 115.78 2wyi s ALA 637 Ca 0.24 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.36 2wyi s ALA 637 Cb 0.16 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 2wyi s ALA 637 CO 0.24 -1.06 0.12 0.54 0.00 0.00 0.00 175.76 175.60 2wyi n ARG 638 N -0.89 0.61 -2.55 0.00 1.74 -1.26 -4.44 116.66 109.87 2wyi n ARG 638 Ca 0.10 -3.51 -0.39 0.00 -0.77 0.00 0.00 57.85 53.28 2wyi n ARG 638 Cb 0.47 1.73 -0.05 0.00 -1.02 0.00 0.00 32.46 33.60 2wyi n ARG 638 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2wyi s ARG 639 N -3.61 4.51 0.73 5.56 0.52 -1.26 -0.07 118.95 125.33 2wyi s ARG 639 Ca 0.17 1.64 -0.16 0.00 -0.52 0.00 0.00 55.73 56.86 2wyi s ARG 639 Cb 0.01 -2.96 0.03 0.00 0.52 0.00 0.00 34.95 32.55 2wyi s ARG 639 CO 0.12 0.14 1.23 -1.13 0.02 0.00 0.00 175.30 175.69 2wyi n SER 640 N 0.78 1.51 0.06 0.23 3.41 0.28 -4.54 113.62 115.34 2wyi n SER 640 Ca 0.01 0.71 -0.04 0.00 -0.26 0.00 0.00 58.87 59.29 2wyi n SER 640 Cb 0.47 -1.53 0.17 0.00 -0.26 0.00 0.00 64.21 63.06 2wyi n SER 640 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2wyi h GLN 641 N -0.17 0.34 -6.79 4.33 -0.00 -1.94 -3.44 115.11 107.45 2wyi h GLN 641 Ca -0.49 -0.18 -0.51 0.00 -0.00 0.00 0.00 58.65 57.47 2wyi h GLN 641 Cb 1.32 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.83 2wyi h GLN 641 CO 0.49 0.72 0.54 -2.00 -0.00 0.00 0.00 178.83 178.59 2wyi s GLU 642 N -4.11 4.53 0.17 0.06 2.12 -1.26 -4.97 118.70 115.24 2wyi s GLU 642 Ca -0.05 1.92 0.06 0.00 0.36 0.00 0.00 54.97 57.26 2wyi s GLU 642 Cb 0.13 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2wyi s GLU 642 CO 0.79 0.04 -0.12 0.15 -0.54 0.00 0.00 175.26 175.57 2wyi s LYS 643 N -1.19 1.17 0.03 4.30 1.02 -1.26 -1.79 119.74 122.02 2wyi s LYS 643 Ca 0.48 -1.49 -0.01 0.00 0.02 0.00 0.00 55.97 54.97 2wyi s LYS 643 Cb -0.34 -0.86 -0.03 0.00 -0.52 0.00 0.00 37.83 36.08 2wyi s LYS 643 CO 0.43 0.13 -0.02 0.00 -0.92 0.00 0.00 175.35 174.97 2wyi s ALA 644 N -3.06 0.23 -0.03 5.17 0.00 0.15 -4.83 121.76 119.39 2wyi s ALA 644 Ca 0.18 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 2wyi s ALA 644 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2wyi s ALA 644 CO 0.03 -0.24 1.21 -1.21 0.00 0.00 0.00 175.76 175.56 2wyi s GLU 645 N -2.30 4.37 -0.13 0.00 2.02 -1.26 -1.36 118.70 120.03 2wyi s GLU 645 Ca -0.08 1.71 -0.03 0.00 0.02 0.00 0.00 54.97 56.59 2wyi s GLU 645 Cb -0.04 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.65 2wyi s GLU 645 CO -0.04 -0.41 -0.02 -1.17 0.02 0.00 0.00 175.26 173.64 2wyi s LEU 646 N 1.97 3.40 -0.21 1.80 2.96 -0.08 -4.95 118.68 123.57 2wyi s LEU 646 Ca 0.57 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 2wyi s LEU 646 Cb -0.26 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.63 2wyi s LEU 646 CO 0.24 0.24 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.52 2wyi s THR 647 N -0.09 2.82 -0.14 3.68 2.01 -1.26 -1.94 115.64 120.72 2wyi s THR 647 Ca 0.03 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 2wyi s THR 647 Cb -0.13 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 2wyi s THR 647 CO 0.02 0.42 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.60 2wyi s LEU 648 N 1.38 3.45 -0.09 4.42 1.43 0.31 -4.46 118.68 125.12 2wyi s LEU 648 Ca 0.04 -0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2wyi s LEU 648 Cb -0.14 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2wyi s LEU 648 CO -0.07 0.24 -0.21 -0.89 0.23 0.00 0.00 176.35 175.65 2wyi s THR 649 N -0.05 1.84 -0.15 5.49 2.01 -0.27 -0.73 115.64 123.77 2wyi s THR 649 Ca 0.03 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.16 2wyi s THR 649 Cb -0.13 -1.60 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2wyi s THR 649 CO 0.02 0.51 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.36 2wyi s THR 650 N 0.44 2.06 -0.17 -0.82 2.01 -0.50 0.14 115.64 118.80 2wyi s THR 650 Ca -0.17 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.70 2wyi s THR 650 Cb -0.17 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 2wyi s THR 650 CO 0.07 0.55 0.40 -0.22 -0.69 0.00 0.00 174.62 174.73 2wyi s LEU 651 N 0.97 4.21 -0.24 4.42 0.20 0.45 -0.93 118.68 127.77 2wyi s LEU 651 Ca -0.03 0.60 -0.06 0.00 0.69 0.00 0.00 54.13 55.33 2wyi s LEU 651 Cb -0.15 -2.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.06 2wyi s LEU 651 CO -0.06 -0.02 0.03 -0.63 -0.29 0.00 0.00 176.35 175.39 2wyi s ILE 652 N 0.92 4.05 -0.28 6.68 1.01 0.19 -1.39 121.20 132.38 2wyi s ILE 652 Ca 0.20 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 2wyi s ILE 652 Cb -0.14 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.46 2wyi s ILE 652 CO 0.08 0.37 0.06 -0.60 0.00 0.00 0.00 174.94 174.84 2wyi s ARG 653 N 1.49 3.20 -0.11 2.79 3.52 -0.11 -0.68 118.95 129.05 2wyi s ARG 653 Ca 0.06 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.86 2wyi s ARG 653 Cb -0.15 -3.30 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 2wyi s ARG 653 CO 0.02 -0.37 -0.04 1.41 -0.81 0.00 0.00 175.30 175.50 2wyi s MET 654 N 1.51 3.18 0.13 5.12 -2.45 -0.59 -2.06 119.30 124.14 2wyi s MET 654 Ca 0.03 -0.51 0.09 0.00 -1.25 0.00 0.00 55.69 54.05 2wyi s MET 654 Cb -0.16 -2.76 -0.04 0.00 1.25 0.00 0.00 34.83 33.12 2wyi s MET 654 CO 0.02 0.49 -0.17 -1.21 1.05 0.00 0.00 175.02 175.19 2wyi s GLU 655 N -0.32 1.80 0.13 4.11 2.02 -1.26 -1.35 118.70 123.83 2wyi s GLU 655 Ca 0.05 -1.22 -0.22 0.00 0.02 0.00 0.00 54.97 53.60 2wyi s GLU 655 Cb -0.12 -2.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 2wyi s GLU 655 CO 0.02 0.47 1.67 -0.22 0.02 0.00 0.00 175.26 177.22 2wyi h LYS 656 N 3.57 -0.16 -0.73 1.61 3.64 -1.04 -3.07 116.57 120.39 2wyi h LYS 656 Ca -0.49 0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 58.60 2wyi h LYS 656 Cb 1.18 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 32.85 2wyi h LYS 656 CO 0.47 -0.11 0.33 0.09 -2.27 0.00 0.00 179.45 177.96 2wyi n ASN 657 N -5.29 3.96 -4.00 4.20 4.13 -1.26 -4.32 115.26 112.69 2wyi n ASN 657 Ca -0.03 -3.45 -0.31 0.00 1.68 0.00 0.00 54.58 52.48 2wyi n ASN 657 Cb 0.20 -0.75 -0.16 0.00 -1.54 0.00 0.00 39.78 37.54 2wyi n ASN 657 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2wyi s ASN 658 N -1.47 3.42 0.55 6.41 3.84 -1.16 -4.99 114.94 121.54 2wyi s ASN 658 Ca 0.53 -0.90 0.33 0.00 0.21 0.00 0.00 52.86 53.04 2wyi s ASN 658 Cb 0.44 -1.24 1.36 0.00 -0.55 0.00 0.00 41.25 41.26 2wyi s ASN 658 CO 0.10 -0.15 1.98 1.55 -2.79 0.00 0.00 177.10 177.79 2wyi h PRO 659 N 7.97 0.00 -5.82 0.43 0.13 -1.91 -3.42 132.00 129.38 2wyi h PRO 659 Ca -0.28 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.27 2wyi h PRO 659 Cb 1.10 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.15 2wyi h PRO 659 CO 0.48 0.01 0.24 0.50 -0.23 0.00 0.00 178.00 178.99 2wyi s ARG 660 N -3.67 4.27 -0.25 0.86 3.52 -1.26 -4.64 118.95 117.78 2wyi s ARG 660 Ca 0.01 0.82 -0.13 0.00 -0.13 0.00 0.00 55.73 56.31 2wyi s ARG 660 Cb 0.09 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 2wyi s ARG 660 CO 0.55 -0.26 0.26 -1.17 -0.81 0.00 0.00 175.30 173.87 2wyi s LEU 661 N 1.94 4.09 -0.14 -0.88 2.96 0.11 -4.75 118.68 122.00 2wyi s LEU 661 Ca 0.34 0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.36 2wyi s LEU 661 Cb -0.16 -2.27 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 2wyi s LEU 661 CO 0.12 -0.05 0.18 -1.10 -1.32 0.00 0.00 176.35 174.18 2wyi s GLN 662 N 1.49 3.82 0.05 1.98 -0.21 -0.88 -1.09 119.66 124.82 2wyi s GLN 662 Ca 0.12 -0.09 0.09 0.00 0.02 0.00 0.00 55.36 55.50 2wyi s GLN 662 Cb -0.15 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.54 2wyi s GLN 662 CO 0.08 0.55 -0.26 -0.06 -2.12 0.00 0.00 175.29 173.48 2wyi s PHE 663 N -0.40 2.28 -0.10 0.91 0.08 0.57 -0.93 117.98 120.39 2wyi s PHE 663 Ca 0.14 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.75 2wyi s PHE 663 Cb -0.12 -1.36 0.04 0.00 -0.57 0.00 0.00 43.02 41.00 2wyi s PHE 663 CO 0.03 0.13 0.03 0.99 -0.10 0.00 0.00 175.22 176.30 2wyi s THR 664 N -0.81 0.22 -0.13 0.64 2.01 -0.49 -2.09 115.64 114.99 2wyi s THR 664 Ca 0.11 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 2wyi s THR 664 Cb -0.10 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 2wyi s THR 664 CO 0.02 0.10 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.13 2wyi s THR 665 N 2.02 4.00 -0.04 -0.82 2.01 -0.10 -0.41 115.64 122.31 2wyi s THR 665 Ca 0.04 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.72 2wyi s THR 665 Cb -0.13 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.66 2wyi s THR 665 CO -0.06 0.52 -0.06 -0.60 -0.69 0.00 0.00 174.62 173.74 2wyi s ARG 666 N -0.00 0.86 0.20 4.92 3.52 0.12 -0.41 118.95 128.16 2wyi s ARG 666 Ca 0.01 -0.18 -0.23 0.00 -0.13 0.00 0.00 55.73 55.20 2wyi s ARG 666 Cb -0.13 -0.83 0.05 0.00 -1.56 0.00 0.00 34.95 32.48 2wyi s ARG 666 CO 0.02 0.00 0.78 -0.59 -0.81 0.00 0.00 175.30 174.71 2wyi s PHE 667 N 0.58 -0.24 -0.39 5.12 -0.12 -1.13 -1.12 117.98 120.69 2wyi s PHE 667 Ca -0.08 -0.11 -0.10 0.00 -0.05 0.00 0.00 56.93 56.59 2wyi s PHE 667 Cb -0.12 0.65 0.05 0.00 -0.63 0.00 0.00 43.02 42.98 2wyi s PHE 667 CO 0.00 -1.01 0.21 0.34 -0.05 0.00 0.00 175.22 174.72 2wyi s ASP 668 N -2.87 5.64 -0.37 1.98 -1.08 -1.26 -1.27 116.67 117.44 2wyi s ASP 668 Ca 0.09 -1.21 -0.29 0.00 -0.52 0.00 0.00 52.55 50.62 2wyi s ASP 668 Cb -0.04 -1.99 0.01 0.00 -1.46 0.00 0.00 42.92 39.45 2wyi s ASP 668 CO 0.01 -0.44 1.29 0.21 0.52 0.00 0.00 175.17 176.76 2wyi s ASN 669 N 1.76 6.58 -0.18 -0.34 2.47 0.27 -4.84 114.94 120.65 2wyi s ASN 669 Ca 0.02 0.92 0.13 0.00 0.42 0.00 0.00 52.86 54.35 2wyi s ASN 669 Cb -0.21 -2.54 0.39 0.00 -1.45 0.00 0.00 41.25 37.44 2wyi s ASN 669 CO 0.04 -1.21 1.20 0.00 -3.72 0.00 0.00 177.10 173.41 2wyi n GLN 670 N 7.63 1.45 -4.45 0.43 1.13 -1.26 -1.04 117.38 121.28 2wyi n GLN 670 Ca 0.15 -3.07 -0.23 0.00 -1.94 0.00 0.00 57.00 51.91 2wyi n GLN 670 Cb 0.48 -1.53 -0.13 0.00 0.11 0.00 0.00 30.24 29.16 2wyi n GLN 670 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2wyi s MET 671 N -3.02 1.13 0.22 -1.09 -1.94 -1.26 -4.99 119.30 108.36 2wyi s MET 671 Ca 0.36 -0.90 0.08 0.00 -1.71 0.00 0.00 55.69 53.52 2wyi s MET 671 Cb 0.35 -1.22 -0.04 0.00 2.01 0.00 0.00 34.83 35.93 2wyi s MET 671 CO -0.05 0.30 0.06 0.95 -0.01 0.00 0.00 175.02 176.27 2wyi s THR 672 N -0.90 3.90 -0.98 2.05 -4.23 -0.54 -4.79 115.64 110.15 2wyi s THR 672 Ca 0.04 -1.54 -0.10 0.00 -1.18 0.00 0.00 61.69 58.91 2wyi s THR 672 Cb -0.09 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.70 2wyi s THR 672 CO 0.02 -0.25 0.76 0.59 -0.54 0.00 0.00 174.62 175.19 2wyi n ASN 673 N -0.65 -6.04 -3.86 3.99 4.13 -1.05 -4.00 115.26 107.78 2wyi n ASN 673 Ca -0.08 -0.74 -0.08 0.00 1.68 0.00 0.00 54.58 55.36 2wyi n ASN 673 Cb 0.57 -3.81 -0.03 0.00 -1.54 0.00 0.00 39.78 34.97 2wyi n ASN 673 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 2wyi s HIS 674 N -3.26 0.04 -0.00 3.10 -3.43 -0.93 -1.34 115.29 109.48 2wyi s HIS 674 Ca 0.28 -0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 2wyi s HIS 674 Cb -0.09 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.58 2wyi s HIS 674 CO 0.82 -1.16 -0.01 0.50 -2.00 0.00 0.00 174.74 172.89 2wyi s ARG 675 N -3.88 0.07 -0.09 -0.38 3.52 0.11 -0.63 118.95 117.67 2wyi s ARG 675 Ca 0.16 -0.02 0.04 0.00 -0.13 0.00 0.00 55.73 55.77 2wyi s ARG 675 Cb -0.04 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 2wyi s ARG 675 CO 0.08 0.01 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.19 2wyi s LEU 676 N 0.04 2.00 0.10 -0.88 2.96 -0.11 -0.68 118.68 122.11 2wyi s LEU 676 Ca -0.00 -0.51 0.06 0.00 -0.22 0.00 0.00 54.13 53.46 2wyi s LEU 676 Cb -0.01 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 2wyi s LEU 676 CO -0.00 0.13 -0.15 -0.13 -1.32 0.00 0.00 176.35 174.88 2wyi s ARG 677 N 0.42 0.98 -0.10 1.98 0.52 -0.06 -0.71 118.95 121.99 2wyi s ARG 677 Ca -0.18 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 53.87 2wyi s ARG 677 Cb -0.17 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.29 2wyi s ARG 677 CO 0.08 0.20 0.00 0.54 0.02 0.00 0.00 175.30 176.14 2wyi s VAL 678 N -1.69 4.31 -0.05 3.52 0.11 -0.60 -0.84 120.40 125.15 2wyi s VAL 678 Ca 0.05 -0.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 2wyi s VAL 678 Cb -0.07 -2.83 -0.01 0.00 -1.53 0.00 0.00 36.38 31.93 2wyi s VAL 678 CO 0.03 0.58 -0.24 -0.76 -3.33 0.00 0.00 175.10 171.38 2wyi s LEU 679 N -0.66 2.05 -0.47 2.54 1.43 0.14 -1.04 118.68 122.66 2wyi s LEU 679 Ca 0.11 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2wyi s LEU 679 Cb -0.12 -1.32 0.13 0.00 0.03 0.00 0.00 46.19 44.91 2wyi s LEU 679 CO 0.02 0.24 0.23 -0.36 0.23 0.00 0.00 176.35 176.72 2wyi s PHE 680 N -0.19 2.77 -0.21 0.29 0.08 0.64 -1.87 117.98 119.49 2wyi s PHE 680 Ca -0.02 -2.86 -0.29 0.00 0.12 0.00 0.00 56.93 53.87 2wyi s PHE 680 Cb -0.13 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 39.82 2wyi s PHE 680 CO 0.03 -0.77 1.54 -1.25 -0.10 0.00 0.00 175.22 174.66 2wyi s PRO 681 N 0.07 3.89 -0.17 0.24 0.04 -1.26 -0.85 135.00 136.97 2wyi s PRO 681 Ca 0.17 1.65 0.15 0.00 0.04 0.00 0.00 61.00 63.00 2wyi s PRO 681 Cb -0.25 -3.98 -0.24 0.00 0.04 0.00 0.00 34.50 30.07 2wyi s PRO 681 CO -0.01 -1.17 0.18 0.25 0.04 0.00 0.00 177.00 176.28 2wyi n THR 682 N 6.19 1.45 -1.89 1.26 -2.24 -0.93 -4.84 114.28 113.29 2wyi n THR 682 Ca 0.18 -0.82 -0.13 0.00 -2.27 0.00 0.00 64.05 61.00 2wyi n THR 682 Cb 0.45 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 2wyi n THR 682 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wyi n HIS 683 N -2.86 -0.86 -2.32 4.78 8.25 0.78 -4.94 115.22 118.05 2wyi n HIS 683 Ca -0.31 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.79 2wyi n HIS 683 Cb 1.12 -2.70 -0.01 0.00 1.12 0.00 0.00 29.99 29.52 2wyi n HIS 683 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wyi s LEU 684 N -4.64 3.95 -0.96 2.41 1.43 -1.26 -4.96 118.68 114.64 2wyi s LEU 684 Ca 0.00 2.21 -0.15 0.00 -1.03 0.00 0.00 54.13 55.16 2wyi s LEU 684 Cb 0.00 -4.34 0.19 0.00 0.03 0.00 0.00 46.19 42.07 2wyi s LEU 684 CO 0.00 -0.92 1.05 -0.54 0.23 0.00 0.00 176.35 176.17 2wyi s LYS 685 N -2.85 3.77 0.05 1.70 1.02 -1.26 -4.81 119.74 117.35 2wyi s LYS 685 Ca 0.65 -2.36 -0.23 0.00 0.02 0.00 0.00 55.97 54.05 2wyi s LYS 685 Cb -0.25 -4.71 0.06 0.00 -0.52 0.00 0.00 37.83 32.40 2wyi s LYS 685 CO 0.31 -1.52 0.55 -0.08 -0.92 0.00 0.00 175.35 173.68 2wyi s THR 686 N 1.03 0.02 -2.06 2.17 -1.32 -1.26 -4.77 115.64 109.45 2wyi s THR 686 Ca 0.29 -0.19 0.17 0.00 -1.21 0.00 0.00 61.69 60.75 2wyi s THR 686 Cb -0.07 -0.98 0.19 0.00 -1.51 0.00 0.00 72.50 70.13 2wyi s THR 686 CO -0.08 -0.11 1.11 0.47 -2.21 0.00 0.00 174.62 173.80 2wyi n ASP 687 N 0.40 2.61 -4.36 8.08 8.00 -1.26 -4.95 116.55 125.06 2wyi n ASP 687 Ca -0.18 -1.77 -0.19 0.00 0.71 0.00 0.00 54.79 53.36 2wyi n ASP 687 Cb 0.60 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.54 2wyi n ASP 687 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2wyi s HIS 688 N -1.38 1.74 0.12 1.24 -3.43 -1.26 -0.27 115.29 112.06 2wyi s HIS 688 Ca 0.23 -1.09 -0.07 0.00 -0.80 0.00 0.00 55.06 53.33 2wyi s HIS 688 Cb 0.15 -1.08 -0.01 0.00 -1.43 0.00 0.00 32.58 30.21 2wyi s HIS 688 CO 0.22 -0.18 0.18 -3.38 -2.00 0.00 0.00 174.74 169.58 2wyi s HIS 689 N -3.53 0.40 -0.13 0.38 -3.43 -0.11 -4.70 115.29 104.17 2wyi s HIS 689 Ca 0.37 -0.80 -0.01 0.00 -0.80 0.00 0.00 55.06 53.81 2wyi s HIS 689 Cb 0.08 -0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 31.05 2wyi s HIS 689 CO 0.15 -0.59 -0.09 -0.51 -2.00 0.00 0.00 174.74 171.70 2wyi s LEU 690 N -2.94 2.98 0.02 5.38 1.43 0.70 -1.23 118.68 125.03 2wyi s LEU 690 Ca 0.13 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 2wyi s LEU 690 Cb 0.05 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2wyi s LEU 690 CO -0.05 0.20 -0.21 0.00 0.23 0.00 0.00 176.35 176.52 2wyi s ALA 691 N 0.18 1.77 -0.41 4.21 0.00 0.21 0.22 121.76 127.94 2wyi s ALA 691 Ca -0.05 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2wyi s ALA 691 Cb -0.14 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2wyi s ALA 691 CO 0.04 0.42 1.42 0.34 0.00 0.00 0.00 175.76 177.98 2wyi s ASP 692 N -0.86 6.32 0.00 0.00 2.15 -0.60 -0.27 116.67 123.41 2wyi s ASP 692 Ca 0.08 0.84 0.00 0.00 0.43 0.00 0.00 52.55 53.90 2wyi s ASP 692 Cb -0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2wyi s ASP 692 CO 0.01 -1.44 0.00 -0.24 -0.17 0.00 0.00 175.17 173.33 2wyi n SER 693 N 8.86 1.44 -4.59 -0.34 2.88 0.15 -0.24 113.62 121.77 2wyi n SER 693 Ca 0.17 -0.62 -0.42 0.00 -1.33 0.00 0.00 58.87 56.66 2wyi n SER 693 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2wyi n SER 693 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wyi s ILE 694 N 0.22 3.66 -1.11 2.46 -1.09 -1.26 -3.24 121.20 120.84 2wyi s ILE 694 Ca 0.00 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 59.02 2wyi s ILE 694 Cb 0.00 -3.98 0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2wyi s ILE 694 CO 0.00 -0.68 0.23 0.49 -1.23 0.00 0.00 174.94 173.75 2wyi n PHE 695 N 9.88 -1.63 -3.53 3.97 3.72 -1.26 -4.58 117.46 124.03 2wyi n PHE 695 Ca 0.19 0.22 -0.16 0.00 -0.05 0.00 0.00 57.45 57.65 2wyi n PHE 695 Cb 0.48 -2.80 -0.06 0.00 -0.94 0.00 0.00 39.48 36.16 2wyi n PHE 695 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2wyi s GLU 696 N -5.46 0.95 -0.68 -1.08 -1.05 -1.20 -4.86 118.70 105.31 2wyi s GLU 696 Ca 0.18 0.19 -0.15 0.00 -0.15 0.00 0.00 54.97 55.04 2wyi s GLU 696 Cb -0.09 0.45 0.17 0.00 -0.44 0.00 0.00 34.13 34.21 2wyi s GLU 696 CO 0.22 -0.30 0.65 0.99 0.95 0.00 0.00 175.26 177.77 2wyi s THR 697 N -1.30 5.36 0.08 1.83 2.01 -1.26 0.34 115.64 122.70 2wyi s THR 697 Ca -0.08 -1.92 -0.27 0.00 0.31 0.00 0.00 61.69 59.73 2wyi s THR 697 Cb -0.00 -4.42 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 2wyi s THR 697 CO 0.07 -0.97 0.85 0.54 -0.69 0.00 0.00 174.62 174.41 2wyi s VAL 698 N 1.03 4.62 -0.00 3.82 0.11 0.63 -4.42 120.40 126.19 2wyi s VAL 698 Ca 0.11 1.82 -0.27 0.00 -2.93 0.00 0.00 61.98 60.71 2wyi s VAL 698 Cb -0.20 -4.21 -0.04 0.00 -1.53 0.00 0.00 36.38 30.40 2wyi s VAL 698 CO -0.03 0.35 0.84 -0.75 -3.33 0.00 0.00 175.10 172.19 2wyi s LYS 699 N -0.07 4.52 0.05 1.54 2.20 -1.26 -0.62 119.74 126.10 2wyi s LYS 699 Ca 0.42 1.17 0.03 0.00 -0.36 0.00 0.00 55.97 57.23 2wyi s LYS 699 Cb -0.22 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 2wyi s LYS 699 CO 0.26 0.08 -0.10 1.03 -0.36 0.00 0.00 175.35 176.27 2wyi s ARG 700 N 0.61 0.61 0.57 4.03 0.52 -0.36 -4.98 118.95 119.95 2wyi s ARG 700 Ca 0.44 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.67 2wyi s ARG 700 Cb -0.20 -0.45 -0.05 0.00 0.52 0.00 0.00 34.95 34.77 2wyi s ARG 700 CO 0.24 0.09 1.07 -1.25 0.02 0.00 0.00 175.30 175.47 2wyi s PRO 701 N -1.59 3.37 0.39 3.54 0.04 -1.26 -0.93 135.00 138.56 2wyi s PRO 701 Ca -0.07 1.35 0.21 0.00 0.04 0.00 0.00 61.00 62.52 2wyi s PRO 701 Cb -0.10 -2.03 0.33 0.00 0.04 0.00 0.00 34.50 32.74 2wyi s PRO 701 CO 0.01 -0.79 1.58 -0.91 0.04 0.00 0.00 177.00 176.94 2wyi h ASN 702 N 0.81 0.00 -3.00 6.66 2.35 -0.93 -3.44 115.58 118.03 2wyi h ASN 702 Ca -0.48 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 54.60 2wyi h ASN 702 Cb 1.23 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.49 2wyi h ASN 702 CO 0.57 0.20 -0.55 -1.00 -1.65 0.00 0.00 177.43 175.00 2wyi s HIS 703 N -3.17 3.38 1.01 1.19 3.76 -1.26 -4.49 115.29 115.70 2wyi s HIS 703 Ca 0.05 0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 55.17 2wyi s HIS 703 Cb 0.06 -1.91 0.19 0.00 1.11 0.00 0.00 32.58 32.04 2wyi s HIS 703 CO 0.69 0.55 1.10 -1.25 -0.85 0.00 0.00 174.74 174.97 2wyi s PRO 704 N -0.75 0.34 -0.59 8.40 0.04 -1.26 -4.95 135.00 136.24 2wyi s PRO 704 Ca 0.12 0.46 -0.28 0.00 0.04 0.00 0.00 61.00 61.34 2wyi s PRO 704 Cb -0.12 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2wyi s PRO 704 CO 0.03 -2.78 1.41 0.34 0.04 0.00 0.00 177.00 176.04 2wyi s ASP 705 N -3.51 6.09 0.47 6.66 -1.08 -1.26 -4.88 116.67 119.16 2wyi s ASP 705 Ca 0.66 0.18 0.32 0.00 -0.52 0.00 0.00 52.55 53.18 2wyi s ASP 705 Cb -0.18 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.22 2wyi s ASP 705 CO 0.57 -1.76 1.96 0.00 0.52 0.00 0.00 175.17 176.46 2wyi h ALA 706 N 11.10 1.00 -0.91 3.66 0.00 -1.92 0.15 119.26 132.33 2wyi h ALA 706 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wyi h ALA 706 Cb 1.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2wyi h ALA 706 CO 1.19 0.00 0.59 1.15 0.00 0.00 0.00 179.25 182.18 2wyi h THR 707 N 0.00 1.24 0.00 0.00 2.02 -1.99 -3.37 112.91 110.81 2wyi h THR 707 Ca 0.00 -0.46 -0.16 0.00 0.77 0.00 0.00 66.41 66.56 2wyi h THR 707 Cb 0.28 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 2wyi h THR 707 CO 0.00 0.24 -1.59 0.49 0.37 0.00 0.00 175.52 175.03 2wyi n PHE 708 N -4.38 0.00 -2.12 3.16 3.72 -0.59 -5.05 117.46 112.21 2wyi n PHE 708 Ca 0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.08 2wyi n PHE 708 Cb 0.03 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.14 2wyi n PHE 708 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 2wyi s TRP 709 N -2.21 2.95 -0.03 1.38 -0.11 0.42 -3.67 118.94 117.67 2wyi s TRP 709 Ca -0.12 0.76 0.04 0.00 1.22 0.00 0.00 56.10 58.01 2wyi s TRP 709 Cb 0.03 -3.75 -0.06 0.00 -1.50 0.00 0.00 33.47 28.19 2wyi s TRP 709 CO 0.27 -2.78 0.04 1.63 -4.62 0.00 0.00 176.95 171.49 2wyi n LYS 710 N 4.70 2.33 -1.75 5.86 5.02 0.23 -4.83 118.16 129.73 2wyi n LYS 710 Ca 0.13 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 2wyi n LYS 710 Cb 0.42 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.29 2wyi n LYS 710 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wyi s ASN 711 N -3.25 6.47 0.54 4.39 3.84 -0.56 -4.88 114.94 121.48 2wyi s ASN 711 Ca -0.02 2.68 0.23 0.00 0.21 0.00 0.00 52.86 55.95 2wyi s ASN 711 Cb 0.02 -2.55 1.43 0.00 -0.55 0.00 0.00 41.25 39.59 2wyi s ASN 711 CO 0.19 -1.00 2.09 1.55 -2.79 0.00 0.00 177.10 177.14 2wyi h PRO 712 N 9.13 0.00 -6.17 0.43 0.13 -1.94 -3.43 132.00 130.16 2wyi h PRO 712 Ca -0.46 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.09 2wyi h PRO 712 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2wyi h PRO 712 CO 0.94 0.00 -0.31 -1.12 -0.23 0.00 0.00 178.00 177.28 2wyi s SER 713 N -6.44 6.49 -0.50 1.44 0.01 -1.26 -5.06 113.70 108.38 2wyi s SER 713 Ca -0.05 0.60 0.08 0.00 1.31 0.00 0.00 55.95 57.88 2wyi s SER 713 Cb 0.17 -2.09 0.29 0.00 0.21 0.00 0.00 66.02 64.60 2wyi s SER 713 CO 0.66 0.06 0.73 -3.20 0.41 0.00 0.00 173.24 171.90 2wyi n ASN 714 N 0.11 2.39 -4.77 2.44 5.15 -1.26 -5.03 115.26 114.30 2wyi n ASN 714 Ca -0.03 -3.22 -0.40 0.00 -0.60 0.00 0.00 54.58 50.34 2wyi n ASN 714 Cb 0.52 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 39.14 2wyi n ASN 714 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wyi s PRO 715 N -2.37 4.00 0.20 1.20 0.04 -1.26 -4.58 135.00 132.22 2wyi s PRO 715 Ca 0.41 2.24 0.03 0.00 0.04 0.00 0.00 61.00 63.73 2wyi s PRO 715 Cb 0.23 -2.81 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 2wyi s PRO 715 CO -0.08 -0.50 -0.03 -0.65 0.04 0.00 0.00 177.00 175.78 2wyi s GLN 716 N -2.19 1.23 0.15 4.56 -1.52 -0.07 -4.90 119.66 116.92 2wyi s GLN 716 Ca 0.56 -1.59 -0.05 0.00 -1.95 0.00 0.00 55.36 52.33 2wyi s GLN 716 Cb -0.40 -0.55 -0.06 0.00 -0.22 0.00 0.00 33.01 31.78 2wyi s GLN 716 CO 0.52 -0.06 0.39 -1.01 -0.25 0.00 0.00 175.29 174.88 2wyi s HIS 717 N -3.44 3.47 0.02 0.91 3.76 -1.26 -2.12 115.29 116.63 2wyi s HIS 717 Ca 0.25 0.56 -0.11 0.00 -0.15 0.00 0.00 55.06 55.61 2wyi s HIS 717 Cb 0.05 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.74 2wyi s HIS 717 CO 0.06 0.42 0.23 1.14 -0.85 0.00 0.00 174.74 175.73 2wyi s GLN 718 N -2.71 0.68 0.00 1.40 -2.07 -0.31 -4.84 119.66 111.80 2wyi s GLN 718 Ca 0.41 -0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.46 2wyi s GLN 718 Cb -0.12 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 2wyi s GLN 718 CO 0.25 -0.19 0.00 -1.91 -1.32 0.00 0.00 175.29 172.11 2wyi n GLU 719 N 0.89 0.00 0.04 9.60 2.13 0.67 -4.50 120.64 129.47 2wyi n GLU 719 Ca -0.20 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.73 2wyi n GLU 719 Cb 0.58 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.24 2wyi n GLU 719 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wyi s PHE 721 N -3.36 -0.49 0.08 0.00 -0.12 -1.26 -1.44 117.98 111.38 2wyi s PHE 721 Ca -0.02 0.27 0.04 0.00 -0.05 0.00 0.00 56.93 57.17 2wyi s PHE 721 Cb 0.12 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 43.05 2wyi s PHE 721 CO 0.83 -0.85 -0.11 0.54 -0.05 0.00 0.00 175.22 175.58 2wyi s VAL 722 N -3.70 0.95 -0.03 -2.49 0.11 -0.71 -1.56 120.40 112.97 2wyi s VAL 722 Ca 0.02 -1.44 -0.12 0.00 -2.93 0.00 0.00 61.98 57.51 2wyi s VAL 722 Cb -0.01 -1.15 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 2wyi s VAL 722 CO -0.11 -0.41 0.27 -0.55 -3.33 0.00 0.00 175.10 170.97 2wyi s SER 723 N -2.07 -0.16 -0.05 3.54 0.15 0.13 -1.46 113.70 113.78 2wyi s SER 723 Ca 0.01 0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.82 2wyi s SER 723 Cb -0.07 0.34 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2wyi s SER 723 CO 0.01 -0.36 -0.19 -0.76 1.20 0.00 0.00 173.24 173.14 2wyi s LEU 724 N -1.04 1.95 -0.10 3.45 1.43 -0.27 -0.21 118.68 123.89 2wyi s LEU 724 Ca -0.11 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 2wyi s LEU 724 Cb -0.05 -1.07 0.04 0.00 0.03 0.00 0.00 46.19 45.14 2wyi s LEU 724 CO 0.03 0.17 0.24 0.12 0.23 0.00 0.00 176.35 177.14 2wyi s PHE 725 N -0.00 -0.31 -2.67 0.29 5.36 -1.26 -0.58 117.98 118.81 2wyi s PHE 725 Ca -0.04 0.75 0.24 0.00 -0.96 0.00 0.00 56.93 56.92 2wyi s PHE 725 Cb -0.12 0.04 0.45 0.00 -0.34 0.00 0.00 43.02 43.04 2wyi s PHE 725 CO 0.03 -0.22 1.41 -0.40 -1.46 0.00 0.00 175.22 174.57 2wyi n ASP 726 N 4.16 2.81 0.00 6.13 5.68 -0.21 -4.88 116.55 130.24 2wyi n ASP 726 Ca -0.25 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 2wyi n ASP 726 Cb 0.53 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2wyi n ASP 726 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wyi n GLY 727 N 1.36 1.29 0.00 6.12 0.00 -1.26 -4.82 105.19 107.88 2wyi n GLY 727 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2wyi n GLY 727 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wyi n GLU 728 N -0.02 2.24 -3.89 1.61 0.00 -1.26 -4.75 120.64 114.57 2wyi n GLU 728 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 2wyi n GLU 728 Cb 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 31.44 30.44 2wyi n GLU 728 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2wyi s ASN 729 N -3.03 0.11 0.01 -1.84 0.01 -1.26 -3.12 114.94 105.81 2wyi s ASN 729 Ca 0.00 -0.42 -0.03 0.00 -0.71 0.00 0.00 52.86 51.69 2wyi s ASN 729 Cb 0.00 0.24 0.01 0.00 0.41 0.00 0.00 41.25 41.91 2wyi s ASN 729 CO 0.00 -0.49 0.16 0.61 -1.51 0.00 0.00 177.10 175.86 2wyi n GLY 730 N 0.88 0.91 2.89 0.66 0.00 -0.38 -1.05 105.19 109.11 2wyi n GLY 730 Ca -0.20 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 2wyi n GLY 730 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wyi s VAL 731 N -2.33 0.46 -0.24 1.61 1.01 0.26 -0.34 120.40 120.83 2wyi s VAL 731 Ca 0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2wyi s VAL 731 Cb -0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.89 2wyi s VAL 731 CO 0.00 0.20 -0.01 -0.89 0.00 0.00 0.00 175.10 174.40 2wyi s THR 732 N 0.80 3.52 -0.29 3.92 2.01 -0.14 -1.11 115.64 124.35 2wyi s THR 732 Ca -0.10 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 2wyi s THR 732 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2wyi s THR 732 CO -0.00 0.33 0.18 -0.63 -0.69 0.00 0.00 174.62 173.81 2wyi s ILE 733 N 1.48 5.14 0.20 1.82 -1.09 -0.54 -1.09 121.20 127.12 2wyi s ILE 733 Ca 0.05 0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2wyi s ILE 733 Cb -0.15 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2wyi s ILE 733 CO -0.02 0.20 0.39 -0.83 -1.23 0.00 0.00 174.94 173.46 2wyi s GLY 734 N 1.73 1.77 0.24 6.18 0.00 -0.55 -1.75 107.32 114.94 2wyi s GLY 734 Ca 0.07 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.95 2wyi s GLY 734 CO 0.10 -0.80 0.15 0.54 0.00 0.00 0.00 173.10 173.08 2wyi s ASN 735 N -3.20 0.64 -0.32 1.64 4.22 -0.52 0.31 114.94 117.72 2wyi s ASN 735 Ca 0.38 -1.45 -0.02 0.00 -2.14 0.00 0.00 52.86 49.63 2wyi s ASN 735 Cb -0.11 0.37 0.11 0.00 1.28 0.00 0.00 41.25 42.90 2wyi s ASN 735 CO 0.29 -0.86 0.13 -0.47 -2.04 0.00 0.00 177.10 174.15 2wyi s TYR 736 N -3.95 1.20 -0.20 1.54 5.04 -0.63 -4.79 117.35 115.56 2wyi s TYR 736 Ca 0.39 -1.50 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 2wyi s TYR 736 Cb 0.06 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.97 2wyi s TYR 736 CO 0.15 -0.85 0.00 0.41 -1.34 0.00 0.00 175.55 173.92 2wyi n GLY 737 N 4.81 0.53 3.19 8.97 0.00 -1.26 -4.55 105.19 116.88 2wyi n GLY 737 Ca -0.01 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2wyi n GLY 737 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wyi s LEU 738 N -0.43 5.87 0.00 0.99 1.02 -1.26 -3.92 118.68 120.95 2wyi s LEU 738 Ca 0.00 -3.13 0.26 0.00 0.02 0.00 0.00 54.13 51.28 2wyi s LEU 738 Cb 0.00 -2.01 0.69 0.00 0.02 0.00 0.00 46.19 44.89 2wyi s LEU 738 CO 0.00 -0.36 1.53 0.59 0.02 0.00 0.00 176.35 178.12 2wyi n ASN 739 N 3.21 1.53 -4.38 2.29 5.03 -1.26 -4.76 115.26 116.92 2wyi n ASN 739 Ca 0.15 -1.29 -0.35 0.00 0.87 0.00 0.00 54.58 53.96 2wyi n ASN 739 Cb 0.40 0.12 -0.13 0.00 -1.02 0.00 0.00 39.78 39.15 2wyi n ASN 739 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2wyi s GLU 740 N -2.28 3.50 0.26 3.52 2.12 -1.26 -1.16 118.70 123.40 2wyi s GLU 740 Ca 0.28 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 55.09 2wyi s GLU 740 Cb 0.20 -3.04 -0.06 0.00 0.26 0.00 0.00 34.13 31.50 2wyi s GLU 740 CO 0.44 -0.08 -0.03 1.52 -0.54 0.00 0.00 175.26 176.57 2wyi s TYR 741 N 1.21 1.81 0.00 5.30 -0.85 -0.90 -1.64 117.35 122.28 2wyi s TYR 741 Ca 0.03 -0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 55.78 2wyi s TYR 741 Cb -0.14 -1.05 -0.01 0.00 0.38 0.00 0.00 41.96 41.14 2wyi s TYR 741 CO 0.00 0.16 0.02 -2.00 -1.52 0.00 0.00 175.55 172.20 2wyi s GLU 742 N -3.78 0.21 -0.21 -3.49 2.12 0.25 -0.89 118.70 112.90 2wyi s GLU 742 Ca 0.29 -0.30 -0.12 0.00 0.36 0.00 0.00 54.97 55.21 2wyi s GLU 742 Cb 0.05 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.47 2wyi s GLU 742 CO 0.11 -0.04 0.23 0.42 -0.54 0.00 0.00 175.26 175.44 2wyi s ILE 743 N -0.79 5.33 -0.47 -3.70 -1.09 -1.26 -0.62 121.20 118.60 2wyi s ILE 743 Ca -0.09 0.36 -0.16 0.00 -2.23 0.00 0.00 60.65 58.53 2wyi s ILE 743 Cb -0.05 -3.57 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 2wyi s ILE 743 CO -0.00 0.35 0.42 -0.76 -1.23 0.00 0.00 174.94 173.71 2wyi s LEU 744 N 0.88 5.47 0.37 2.97 1.43 0.23 -4.92 118.68 125.10 2wyi s LEU 744 Ca 0.12 -1.21 0.13 0.00 -1.03 0.00 0.00 54.13 52.13 2wyi s LEU 744 Cb -0.13 -2.22 0.70 0.00 0.03 0.00 0.00 46.19 44.57 2wyi s LEU 744 CO 0.04 -0.65 1.82 -0.65 0.23 0.00 0.00 176.35 177.13 2wyi h PRO 745 N 8.77 0.00 -0.86 1.29 0.11 -1.87 0.52 132.00 139.95 2wyi h PRO 745 Ca -0.28 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.94 2wyi h PRO 745 Cb 1.11 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2wyi h PRO 745 CO 0.87 0.38 0.56 -0.44 -0.21 0.00 0.00 178.00 179.16 2wyi h ASP 746 N 0.00 0.70 0.00 -2.05 3.32 -1.95 -3.17 116.42 113.27 2wyi h ASP 746 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wyi h ASP 746 Cb 0.68 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2wyi h ASP 746 CO 0.05 0.39 0.00 0.35 -1.72 0.00 0.00 179.24 178.31 2wyi n THR 747 N -4.54 0.06 -3.92 0.35 -2.24 -1.12 -5.01 114.28 97.86 2wyi n THR 747 Ca 0.16 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 2wyi n THR 747 Cb 0.38 1.25 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 2wyi n THR 747 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wyi n ASN 748 N -0.03 -2.12 -4.73 3.42 3.02 0.05 -0.15 115.26 114.72 2wyi n ASN 748 Ca 0.00 -1.07 -0.40 0.00 -0.03 0.00 0.00 54.58 53.08 2wyi n ASN 748 Cb 0.10 -2.85 -0.05 0.00 -0.61 0.00 0.00 39.78 36.37 2wyi n ASN 748 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wyi s THR 749 N -3.80 4.89 -0.26 3.41 2.01 -0.48 -2.19 115.64 119.22 2wyi s THR 749 Ca 0.20 1.59 -0.20 0.00 0.31 0.00 0.00 61.69 63.59 2wyi s THR 749 Cb -0.08 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2wyi s THR 749 CO 0.90 0.29 0.63 -0.63 -0.69 0.00 0.00 174.62 175.13 2wyi s ILE 750 N 0.43 4.98 -0.20 1.82 1.01 -0.03 -0.61 121.20 128.60 2wyi s ILE 750 Ca 0.39 1.11 -0.02 0.00 0.00 0.00 0.00 60.65 62.13 2wyi s ILE 750 Cb -0.19 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.33 2wyi s ILE 750 CO 0.21 0.01 -0.09 0.00 0.00 0.00 0.00 174.94 175.07 2wyi s ALA 751 N 2.52 2.68 -0.21 9.38 0.00 0.21 -0.26 121.76 136.09 2wyi s ALA 751 Ca 0.26 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 2wyi s ALA 751 Cb -0.15 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2wyi s ALA 751 CO 0.09 -0.31 0.02 0.42 0.00 0.00 0.00 175.76 175.97 2wyi s ILE 752 N 1.27 4.11 -0.12 0.00 -1.09 -0.20 -0.58 121.20 124.58 2wyi s ILE 752 Ca 0.03 -0.26 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2wyi s ILE 752 Cb -0.14 -2.87 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 2wyi s ILE 752 CO -0.04 0.42 1.13 -0.89 -1.23 0.00 0.00 174.94 174.33 2wyi s THR 753 N 1.02 4.48 -0.12 2.92 2.01 -0.65 -1.56 115.64 123.73 2wyi s THR 753 Ca 0.02 1.78 0.20 0.00 0.31 0.00 0.00 61.69 64.00 2wyi s THR 753 Cb -0.14 -4.14 -0.27 0.00 0.01 0.00 0.00 72.50 67.95 2wyi s THR 753 CO 0.02 -0.06 0.35 0.18 -0.69 0.00 0.00 174.62 174.42 2wyi n LEU 754 N 5.64 0.12 -3.64 4.42 4.77 0.11 -4.76 117.00 123.66 2wyi n LEU 754 Ca 0.11 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 2wyi n LEU 754 Cb 0.47 0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.72 2wyi n LEU 754 CO 0.54 0.24 0.46 -0.22 -1.33 0.00 0.00 177.39 177.08 2wyi s LEU 755 N -5.13 -0.79 -0.11 2.23 2.96 -1.07 -4.98 118.68 111.79 2wyi s LEU 755 Ca -0.08 1.31 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2wyi s LEU 755 Cb 0.10 2.23 0.03 0.00 0.50 0.00 0.00 46.19 49.05 2wyi s LEU 755 CO 0.86 -0.21 -0.06 -0.60 -1.32 0.00 0.00 176.35 175.02 2wyi s ARG 756 N 1.25 1.33 -0.24 1.98 3.52 -1.25 -0.94 118.95 124.61 2wyi s ARG 756 Ca -0.07 -0.22 -0.05 0.00 -0.13 0.00 0.00 55.73 55.26 2wyi s ARG 756 Cb -0.05 -1.53 -0.01 0.00 -1.56 0.00 0.00 34.95 31.80 2wyi s ARG 756 CO -0.14 -0.30 0.01 -1.12 -0.81 0.00 0.00 175.30 172.94 2wyi s SER 757 N 1.75 4.67 0.25 -2.12 0.01 0.19 -4.39 113.70 114.07 2wyi s SER 757 Ca 0.04 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2wyi s SER 757 Cb -0.13 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 2wyi s SER 757 CO -0.08 -0.06 0.09 0.68 0.41 0.00 0.00 173.24 174.28 2wyi s VAL 758 N 1.51 0.59 -0.62 3.43 -7.23 -1.07 -2.19 120.40 114.81 2wyi s VAL 758 Ca 0.05 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 2wyi s VAL 758 Cb -0.15 -2.60 0.10 0.00 0.56 0.00 0.00 36.38 34.29 2wyi s VAL 758 CO -0.00 -0.04 0.89 0.61 -0.31 0.00 0.00 175.10 176.25 2wyi n GLY 759 N -0.45 0.85 3.27 2.32 0.00 -1.26 -1.96 105.19 107.96 2wyi n GLY 759 Ca -0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2wyi n GLY 759 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wyi s GLU 760 N -0.73 0.92 0.00 1.61 -1.05 -1.26 -0.16 118.70 118.04 2wyi s GLU 760 Ca 0.09 -0.65 -0.24 0.00 -0.15 0.00 0.00 54.97 54.02 2wyi s GLU 760 Cb 0.06 0.40 -0.13 0.00 -0.44 0.00 0.00 34.13 34.01 2wyi s GLU 760 CO 0.08 -0.32 1.01 1.98 0.95 0.00 0.00 175.26 178.95 2wyi h MET 761 N 2.80 -0.82 0.00 -4.83 1.85 -1.64 -2.64 114.93 109.65 2wyi h MET 761 Ca -0.33 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 2wyi h MET 761 Cb 1.22 0.19 0.00 0.00 0.43 0.00 0.00 31.60 33.44 2wyi h MET 761 CO 0.48 -0.54 0.00 0.41 -0.40 0.00 0.00 176.91 176.86 2wyi n GLY 762 N -0.41 0.17 7.00 1.39 0.00 -1.26 -1.27 105.19 110.81 2wyi n GLY 762 Ca -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2wyi n GLY 762 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wyi n ASP 763 N 0.00 0.00 0.17 1.61 2.03 -1.26 -3.81 116.55 115.29 2wyi n ASP 763 Ca 0.00 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.44 2wyi n ASP 763 Cb 0.00 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 40.96 2wyi n ASP 763 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2wyi h TRP 764 N 0.00 0.00 -1.27 -0.67 5.08 -2.03 -3.46 115.95 113.60 2wyi h TRP 764 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2wyi h TRP 764 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 2wyi h TRP 764 CO 0.00 0.00 0.00 0.41 -1.28 0.00 0.00 178.44 177.57 2wyi n GLY 765 N -0.13 4.18 3.35 11.11 0.00 -1.25 -5.12 105.19 117.34 2wyi n GLY 765 Ca 0.01 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2wyi n GLY 765 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wyi s TYR 766 N -2.36 3.25 -0.42 1.61 5.04 -1.26 -4.55 117.35 118.65 2wyi s TYR 766 Ca 0.00 -1.06 0.02 0.00 -2.44 0.00 0.00 57.07 53.59 2wyi s TYR 766 Cb 0.00 -2.43 0.12 0.00 0.35 0.00 0.00 41.96 40.01 2wyi s TYR 766 CO 0.00 -0.67 0.20 -0.06 -1.34 0.00 0.00 175.55 173.67 2wyi s PHE 767 N 1.52 2.39 0.26 4.97 0.08 -1.26 -5.07 117.98 120.86 2wyi s PHE 767 Ca 0.01 -2.53 -0.31 0.00 0.12 0.00 0.00 56.93 54.22 2wyi s PHE 767 Cb -0.19 -2.17 -0.12 0.00 -0.57 0.00 0.00 43.02 39.97 2wyi s PHE 767 CO 0.06 -0.81 1.66 -1.25 -0.10 0.00 0.00 175.22 174.78 2wyi s PRO 768 N 0.50 4.11 -0.48 0.24 0.04 -1.26 -1.71 135.00 136.44 2wyi s PRO 768 Ca 0.15 2.61 0.06 0.00 0.04 0.00 0.00 61.00 63.86 2wyi s PRO 768 Cb -0.23 -3.04 0.21 0.00 0.04 0.00 0.00 34.50 31.48 2wyi s PRO 768 CO -0.05 -0.70 0.48 0.25 0.04 0.00 0.00 177.00 177.02 2wyi n THR 769 N 2.95 -0.14 0.28 1.26 -2.24 0.78 -4.78 114.28 112.38 2wyi n THR 769 Ca 0.12 -4.08 0.16 0.00 -2.27 0.00 0.00 64.05 57.98 2wyi n THR 769 Cb 0.36 -1.90 0.91 0.00 -2.10 0.00 0.00 70.33 67.61 2wyi n THR 769 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wyi h PRO 770 N 4.84 0.00 0.00 -0.78 0.13 -1.88 -0.63 132.00 133.68 2wyi h PRO 770 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2wyi h PRO 770 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2wyi h PRO 770 CO 0.52 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.22 2wyi h GLU 771 N 0.00 0.00 0.00 0.86 5.08 -1.92 -2.54 114.58 116.05 2wyi h GLU 771 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wyi h GLU 771 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2wyi h GLU 771 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2wyi n ALA 772 N -1.82 1.40 0.55 3.43 0.00 -0.24 -2.13 120.51 121.69 2wyi n ALA 772 Ca 0.04 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wyi n ALA 772 Cb 0.34 -1.13 0.45 0.00 0.00 0.00 0.00 19.45 19.11 2wyi n ALA 772 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wyi n GLN 773 N -1.47 0.16 -3.78 0.00 1.13 -0.83 -2.61 117.38 109.98 2wyi n GLN 773 Ca 0.02 0.29 -0.23 0.00 -1.94 0.00 0.00 57.00 55.14 2wyi n GLN 773 Cb 0.09 -1.75 0.02 0.00 0.11 0.00 0.00 30.24 28.71 2wyi n GLN 773 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wyi s LEU 775 N -6.81 3.72 0.00 0.00 1.43 -1.26 -4.70 118.68 111.06 2wyi s LEU 775 Ca 0.09 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2wyi s LEU 775 Cb -0.05 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.60 2wyi s LEU 775 CO 0.83 -1.24 0.00 0.61 0.23 0.00 0.00 176.35 176.78 2wyi n GLY 776 N 0.08 -1.04 3.76 -3.19 0.00 -0.20 -4.91 105.19 99.68 2wyi n GLY 776 Ca 0.11 -2.21 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 2wyi n GLY 776 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wyi s LYS 777 N -0.38 4.61 0.13 1.61 1.02 -1.26 -0.57 119.74 124.90 2wyi s LYS 777 Ca 0.00 1.74 0.05 0.00 0.02 0.00 0.00 55.97 57.77 2wyi s LYS 777 Cb 0.00 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2wyi s LYS 777 CO 0.00 0.20 -0.11 -1.01 -0.92 0.00 0.00 175.35 173.51 2wyi s HIS 778 N -1.23 1.23 -0.21 3.18 3.76 -0.40 -4.93 115.29 116.69 2wyi s HIS 778 Ca 0.46 -0.68 -0.04 0.00 -0.15 0.00 0.00 55.06 54.64 2wyi s HIS 778 Cb -0.30 -0.64 0.11 0.00 1.11 0.00 0.00 32.58 32.86 2wyi s HIS 778 CO 0.38 0.07 0.37 0.45 -0.85 0.00 0.00 174.74 175.17 2wyi s SER 779 N -2.80 0.15 -0.12 1.40 0.15 -1.26 -2.82 113.70 108.41 2wyi s SER 779 Ca 0.12 0.49 0.01 0.00 0.70 0.00 0.00 55.95 57.27 2wyi s SER 779 Cb -0.01 1.10 -0.01 0.00 -1.71 0.00 0.00 66.02 65.40 2wyi s SER 779 CO 0.01 -0.27 -0.16 -0.76 1.20 0.00 0.00 173.24 173.25 2wyi s LEU 780 N 2.54 2.52 -0.11 3.45 2.01 0.45 -4.91 118.68 124.63 2wyi s LEU 780 Ca 0.06 -0.40 -0.02 0.00 0.01 0.00 0.00 54.13 53.78 2wyi s LEU 780 Cb -0.14 -1.55 -0.03 0.00 0.01 0.00 0.00 46.19 44.48 2wyi s LEU 780 CO -0.14 0.16 -0.03 -0.44 1.01 0.00 0.00 176.35 176.91 2wyi s SER 781 N 0.36 4.89 0.25 2.29 0.01 -1.26 -0.92 113.70 119.32 2wyi s SER 781 Ca -0.13 -0.02 -0.21 0.00 1.31 0.00 0.00 55.95 56.90 2wyi s SER 781 Cb -0.17 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.55 2wyi s SER 781 CO 0.07 0.28 0.67 -0.72 0.41 0.00 0.00 173.24 173.94 2wyi s TYR 782 N -0.28 -0.23 0.13 2.43 -0.85 -0.89 -1.60 117.35 116.07 2wyi s TYR 782 Ca 0.05 -0.17 -0.05 0.00 -0.52 0.00 0.00 57.07 56.39 2wyi s TYR 782 Cb -0.13 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 2wyi s TYR 782 CO 0.02 -1.12 0.14 -1.54 -1.52 0.00 0.00 175.55 171.52 2wyi s SER 783 N -2.89 0.22 -0.05 -0.18 1.04 0.15 -0.31 113.70 111.68 2wyi s SER 783 Ca 0.09 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 55.58 2wyi s SER 783 Cb -0.04 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2wyi s SER 783 CO 0.02 -0.77 -0.21 0.12 0.98 0.00 0.00 173.24 173.38 2wyi s PHE 784 N -3.98 2.08 -0.04 5.02 5.36 -0.25 -1.48 117.98 124.68 2wyi s PHE 784 Ca 0.17 -0.60 -0.02 0.00 -0.96 0.00 0.00 56.93 55.53 2wyi s PHE 784 Cb 0.06 -1.38 0.03 0.00 -0.34 0.00 0.00 43.02 41.39 2wyi s PHE 784 CO -0.02 -0.18 0.09 -2.00 -1.46 0.00 0.00 175.22 171.64 2wyi s GLU 785 N -0.09 0.03 -0.14 10.12 2.12 -0.25 -0.72 118.70 129.77 2wyi s GLU 785 Ca -0.03 0.27 -0.20 0.00 0.36 0.00 0.00 54.97 55.37 2wyi s GLU 785 Cb -0.12 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.04 2wyi s GLU 785 CO 0.03 -0.16 0.56 0.45 -0.54 0.00 0.00 175.26 175.60 2wyi s SER 786 N 1.05 6.72 0.20 -1.70 0.15 -1.26 -0.97 113.70 117.88 2wyi s SER 786 Ca -0.08 0.86 0.11 0.00 0.70 0.00 0.00 55.95 57.53 2wyi s SER 786 Cb -0.11 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2wyi s SER 786 CO -0.04 -0.12 -0.22 0.27 1.20 0.00 0.00 173.24 174.33 2wyi s ILE 787 N 1.14 2.20 0.44 6.45 -4.36 0.54 -4.98 121.20 122.63 2wyi s ILE 787 Ca 0.28 -2.05 0.05 0.00 -0.26 0.00 0.00 60.65 58.67 2wyi s ILE 787 Cb -0.16 -2.06 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 2wyi s ILE 787 CO 0.12 -0.22 0.01 0.42 0.24 0.00 0.00 174.94 175.51 2wyi s THR 788 N -1.91 1.64 0.27 8.37 -4.23 -1.26 -1.25 115.64 117.28 2wyi s THR 788 Ca 0.20 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.71 2wyi s THR 788 Cb -0.07 -2.69 0.30 0.00 1.34 0.00 0.00 72.50 71.38 2wyi s THR 788 CO 0.09 0.00 1.65 0.07 -0.54 0.00 0.00 174.62 175.89 2wyi h LYS 789 N 1.64 0.18 0.00 3.99 -0.00 -1.84 -0.20 116.57 120.35 2wyi h LYS 789 Ca -0.44 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.65 60.20 2wyi h LYS 789 Cb 1.27 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 33.45 2wyi h LYS 789 CO 0.78 0.12 -0.02 1.96 -0.00 0.00 0.00 179.45 182.29 2wyi h GLN 790 N 0.19 0.00 -0.01 0.07 7.50 -1.96 -3.19 115.11 117.71 2wyi h GLN 790 Ca 0.51 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.66 2wyi h GLN 790 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.52 2wyi h GLN 790 CO -0.65 0.02 -0.01 0.25 -1.50 0.00 0.00 178.83 176.94 2wyi n THR 791 N -3.13 0.00 -0.02 -0.54 -2.24 -0.44 -4.79 114.28 103.13 2wyi n THR 791 Ca 0.00 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 2wyi n THR 791 Cb 0.30 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 2wyi n THR 791 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2wyi h GLN 792 N 0.80 -0.33 -0.40 -0.78 4.15 -1.08 -1.20 115.11 116.28 2wyi h GLN 792 Ca 0.00 0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 2wyi h GLN 792 Cb 0.18 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 2wyi h GLN 792 CO 0.00 -0.22 -0.23 0.74 -1.93 0.00 0.00 178.83 177.20 2wyi h PHE 793 N -0.34 0.91 -0.39 3.99 0.04 -1.86 -2.64 116.94 116.66 2wyi h PHE 793 Ca 0.11 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2wyi h PHE 793 Cb 0.52 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 2wyi h PHE 793 CO -0.41 0.95 0.19 0.00 -0.60 0.00 0.00 178.31 178.44 2wyi h ALA 794 N 1.04 1.60 -0.08 2.45 0.00 -1.67 0.15 119.26 122.76 2wyi h ALA 794 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2wyi h ALA 794 Cb 0.75 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2wyi h ALA 794 CO 0.06 0.33 -0.15 0.66 0.00 0.00 0.00 179.25 180.14 2wyi h SER 795 N 0.54 0.11 0.07 0.00 4.64 -0.86 -0.33 113.55 117.73 2wyi h SER 795 Ca 0.14 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2wyi h SER 795 Cb 0.05 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2wyi h SER 795 CO -0.02 0.28 -0.03 1.88 -0.87 0.00 0.00 176.83 178.07 2wyi h TYR 796 N 0.12 -0.08 0.00 4.77 0.05 -0.84 -2.54 116.97 118.44 2wyi h TYR 796 Ca 0.02 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 2wyi h TYR 796 Cb 0.35 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 2wyi h TYR 796 CO 0.00 0.39 -0.31 0.11 -1.05 0.00 0.00 178.16 177.30 2wyi h TRP 797 N -0.60 0.00 -0.40 4.88 5.08 -1.20 -2.22 115.95 121.49 2wyi h TRP 797 Ca -0.01 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.90 2wyi h TRP 797 Cb 0.51 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.65 2wyi h TRP 797 CO 0.09 0.31 0.01 0.00 -1.28 0.00 0.00 178.44 177.57 2wyi h ARG 798 N 0.00 0.70 -0.24 0.12 3.08 -1.08 0.37 114.38 117.33 2wyi h ARG 798 Ca -0.00 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 2wyi h ARG 798 Cb 0.66 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2wyi h ARG 798 CO 0.04 0.78 0.01 0.00 -1.07 0.00 0.00 179.97 179.73 2wyi h ALA 799 N 0.89 1.56 0.11 0.04 0.00 -1.14 0.34 119.26 121.06 2wyi h ALA 799 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wyi h ALA 799 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wyi h ALA 799 CO 0.02 0.32 -0.05 0.37 0.00 0.00 0.00 179.25 179.91 2wyi h GLN 800 N 0.35 -0.14 0.00 0.00 4.15 -0.98 -3.37 115.11 115.11 2wyi h GLN 800 Ca 0.08 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 2wyi h GLN 800 Cb 0.23 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2wyi h GLN 800 CO 0.00 0.35 -0.49 0.93 -1.93 0.00 0.00 178.83 177.70 2wyi h GLU 801 N -0.84 0.00 0.00 1.69 5.08 -0.19 -3.07 114.58 117.24 2wyi h GLU 801 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wyi h GLU 801 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2wyi h GLU 801 CO 0.03 0.11 0.00 0.78 -1.00 0.00 0.00 179.01 178.93 2wyi h GLY 802 N 3.89 0.00 2.00 -3.84 0.00 -0.49 -0.67 103.07 103.96 2wyi h GLY 802 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2wyi h GLY 802 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 2wyi n GLN 803 N -2.34 0.08 -4.06 4.80 6.02 -1.16 -4.71 117.38 116.01 2wyi n GLN 803 Ca -0.01 0.18 -0.34 0.00 -0.01 0.00 0.00 57.00 56.82 2wyi n GLN 803 Cb 0.08 -1.62 -0.14 0.00 1.02 0.00 0.00 30.24 29.58 2wyi n GLN 803 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2wyi s VAL 804 N -3.07 3.07 0.63 5.09 1.01 -0.26 -5.05 120.40 121.82 2wyi s VAL 804 Ca 0.10 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 2wyi s VAL 804 Cb 0.13 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2wyi s VAL 804 CO 0.44 0.46 1.05 -2.16 0.00 0.00 0.00 175.10 174.89 2wyi s PRO 805 N 1.29 3.27 0.33 2.72 0.04 -1.26 -5.02 135.00 136.38 2wyi s PRO 805 Ca 0.04 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 2wyi s PRO 805 Cb -0.14 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.26 2wyi s PRO 805 CO -0.04 -0.84 1.51 0.08 0.04 0.00 0.00 177.00 177.75 2wyi s VAL 806 N -2.80 2.13 -0.07 -0.36 1.01 -1.26 -4.80 120.40 114.26 2wyi s VAL 806 Ca 0.60 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 2wyi s VAL 806 Cb -0.14 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2wyi s VAL 806 CO 0.45 0.03 0.12 -0.63 0.00 0.00 0.00 175.10 175.07 2wyi s ILE 807 N -0.64 5.19 -0.01 2.22 -1.09 -0.39 -4.90 121.20 121.58 2wyi s ILE 807 Ca 0.57 -0.06 0.03 0.00 -2.23 0.00 0.00 60.65 58.96 2wyi s ILE 807 Cb -0.46 -3.31 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 2wyi s ILE 807 CO 0.56 0.49 -0.11 0.28 -1.23 0.00 0.00 174.94 174.93 2wyi s THR 808 N -1.12 0.88 -0.01 2.92 -1.32 -1.26 0.13 115.64 115.85 2wyi s THR 808 Ca 0.19 -0.47 -0.07 0.00 -1.21 0.00 0.00 61.69 60.13 2wyi s THR 808 Cb -0.12 -0.74 0.01 0.00 -1.51 0.00 0.00 72.50 70.14 2wyi s THR 808 CO 0.09 0.25 0.15 0.28 -2.21 0.00 0.00 174.62 173.19 2wyi s THR 809 N -0.21 0.06 0.08 5.08 -1.32 -0.54 -4.98 115.64 113.81 2wyi s THR 809 Ca 0.03 -0.53 0.04 0.00 -1.21 0.00 0.00 61.69 60.02 2wyi s THR 809 Cb -0.05 -0.40 -0.04 0.00 -1.51 0.00 0.00 72.50 70.50 2wyi s THR 809 CO -0.00 -0.29 0.06 -1.10 -2.21 0.00 0.00 174.62 171.07 2wyi s GLN 810 N -1.06 2.78 0.20 7.08 -0.21 -1.26 -0.80 119.66 126.40 2wyi s GLN 810 Ca -0.11 -0.73 -0.20 0.00 0.02 0.00 0.00 55.36 54.34 2wyi s GLN 810 Cb -0.06 -2.67 0.04 0.00 1.00 0.00 0.00 33.01 31.31 2wyi s GLN 810 CO 0.01 0.56 0.58 -0.08 -2.12 0.00 0.00 175.29 174.24 2wyi s THR 811 N -1.36 0.01 0.45 -0.19 -1.32 -1.15 -4.96 115.64 107.11 2wyi s THR 811 Ca 0.28 -0.63 0.04 0.00 -1.21 0.00 0.00 61.69 60.16 2wyi s THR 811 Cb -0.12 -1.52 0.08 0.00 -1.51 0.00 0.00 72.50 69.43 2wyi s THR 811 CO 0.21 -0.07 0.62 0.59 -2.21 0.00 0.00 174.62 173.76 2wyi n ASN 812 N -0.37 1.23 -4.68 8.08 3.02 -1.26 -3.65 115.26 117.62 2wyi n ASN 812 Ca -0.10 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.08 2wyi n ASN 812 Cb 0.62 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 2wyi n ASN 812 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wyi s GLN 813 N -4.03 4.27 0.01 3.52 1.11 -1.26 -4.75 119.66 118.53 2wyi s GLN 813 Ca 0.44 1.85 -0.28 0.00 0.01 0.00 0.00 55.36 57.38 2wyi s GLN 813 Cb -0.03 -3.67 0.09 0.00 -1.01 0.00 0.00 33.01 28.39 2wyi s GLN 813 CO 0.29 -0.61 0.79 -3.38 0.01 0.00 0.00 175.29 172.38 2wyi s HIS 814 N 2.85 -0.45 0.72 0.91 -3.43 -1.26 -4.95 115.29 109.66 2wyi s HIS 814 Ca 0.61 0.46 -0.16 0.00 -0.80 0.00 0.00 55.06 55.17 2wyi s HIS 814 Cb -0.28 0.51 0.01 0.00 -1.43 0.00 0.00 32.58 31.39 2wyi s HIS 814 CO 0.23 -0.61 1.05 0.39 -2.00 0.00 0.00 174.74 173.80 2wyi n GLU 815 N 0.07 0.57 -3.57 -0.38 1.02 -1.26 -1.20 120.64 115.89 2wyi n GLU 815 Ca -0.13 0.25 -0.07 0.00 -0.02 0.00 0.00 57.16 57.20 2wyi n GLU 815 Cb 0.61 -2.30 -0.02 0.00 -0.02 0.00 0.00 31.44 29.71 2wyi n GLU 815 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wyi s GLY 816 N -1.65 -0.40 0.13 0.62 0.00 -1.26 -4.62 107.32 100.14 2wyi s GLY 816 Ca 0.75 0.79 0.27 0.00 0.00 0.00 0.00 44.72 46.53 2wyi s GLY 816 CO 0.49 0.25 1.75 -1.30 0.00 0.00 0.00 173.10 174.29 2wyi n THR 817 N -0.30 0.37 -4.14 0.90 -2.24 -0.02 -4.17 114.28 104.67 2wyi n THR 817 Ca -0.08 -0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 2wyi n THR 817 Cb 0.61 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.30 2wyi n THR 817 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wyi s LEU 818 N -3.99 3.77 0.62 3.22 1.43 -0.19 -4.97 118.68 118.57 2wyi s LEU 818 Ca 0.11 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.11 2wyi s LEU 818 Cb 0.15 -2.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 2wyi s LEU 818 CO 0.60 0.26 1.15 0.00 0.23 0.00 0.00 176.35 178.59 2wyi s ALA 819 N -1.19 2.50 0.29 4.21 0.00 -1.26 -1.22 121.76 125.08 2wyi s ALA 819 Ca 0.23 0.78 0.20 0.00 0.00 0.00 0.00 51.96 53.16 2wyi s ALA 819 Cb -0.12 -3.38 0.91 0.00 0.00 0.00 0.00 23.12 20.53 2wyi s ALA 819 CO 0.14 -1.18 1.85 0.00 0.00 0.00 0.00 175.76 176.57 2wyi h ALA 820 N 0.52 1.18 -3.26 0.00 0.00 -1.96 -3.42 119.26 112.33 2wyi h ALA 820 Ca -0.49 -0.27 -0.47 0.00 0.00 0.00 0.00 54.91 53.68 2wyi h ALA 820 Cb 1.27 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.64 2wyi h ALA 820 CO 0.54 0.37 -0.78 -2.00 0.00 0.00 0.00 179.25 177.38 2wyi s GLU 821 N -3.93 1.05 -0.17 0.00 2.12 -1.26 -1.18 118.70 115.34 2wyi s GLU 821 Ca -0.01 -0.09 -0.13 0.00 0.36 0.00 0.00 54.97 55.10 2wyi s GLU 821 Cb 0.12 -1.22 0.05 0.00 0.26 0.00 0.00 34.13 33.35 2wyi s GLU 821 CO 0.67 -0.24 0.43 -0.47 -0.54 0.00 0.00 175.26 175.10 2wyi s TYR 822 N 1.65 -0.53 -0.25 5.30 5.04 -0.52 -5.01 117.35 123.03 2wyi s TYR 822 Ca 0.02 1.22 -0.10 0.00 -2.44 0.00 0.00 57.07 55.77 2wyi s TYR 822 Cb -0.13 0.21 -0.04 0.00 0.35 0.00 0.00 41.96 42.35 2wyi s TYR 822 CO -0.05 -0.28 0.14 -1.12 -1.34 0.00 0.00 175.55 172.90 2wyi s SER 823 N 0.71 5.76 0.29 4.32 0.01 -1.26 -1.50 113.70 122.02 2wyi s SER 823 Ca -0.04 -0.03 0.15 0.00 1.31 0.00 0.00 55.95 57.35 2wyi s SER 823 Cb -0.05 -2.05 0.17 0.00 0.21 0.00 0.00 66.02 64.30 2wyi s SER 823 CO -0.05 -0.00 1.49 0.22 0.41 0.00 0.00 173.24 175.31 2wyi h TYR 824 N 8.00 0.00 -4.29 2.43 5.03 -0.88 -3.46 116.97 123.80 2wyi h TYR 824 Ca -0.37 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 60.80 2wyi h TYR 824 Cb 1.18 0.00 -0.15 0.00 1.55 0.00 0.00 36.73 39.31 2wyi h TYR 824 CO 0.70 0.50 -0.67 -0.48 -1.32 0.00 0.00 178.16 176.89 2wyi s LEU 825 N -6.57 2.28 0.28 2.82 0.05 -1.26 -4.04 118.68 112.24 2wyi s LEU 825 Ca 0.03 -1.06 0.02 0.00 0.05 0.00 0.00 54.13 53.17 2wyi s LEU 825 Cb 0.08 0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 44.42 2wyi s LEU 825 CO 0.74 -0.64 0.26 0.42 -0.55 0.00 0.00 176.35 176.58 2wyi s THR 826 N -3.95 0.00 0.00 5.48 -4.23 0.41 -4.82 115.64 108.53 2wyi s THR 826 Ca 0.12 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2wyi s THR 826 Cb 0.08 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2wyi s THR 826 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2wyi n GLY 827 N -0.47 0.58 3.81 3.99 0.00 -1.26 -1.03 105.19 110.82 2wyi n GLY 827 Ca 0.04 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 2wyi n GLY 827 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wyi s THR 828 N -2.97 4.44 -0.03 2.61 -4.23 -1.26 -3.18 115.64 111.02 2wyi s THR 828 Ca 0.00 1.45 0.06 0.00 -1.18 0.00 0.00 61.69 62.02 2wyi s THR 828 Cb 0.00 -3.85 -0.01 0.00 1.34 0.00 0.00 72.50 69.98 2wyi s THR 828 CO 0.00 0.07 -0.21 0.21 -0.54 0.00 0.00 174.62 174.16 2wyi s ASN 829 N -1.78 2.51 0.51 3.99 3.84 -1.26 -5.02 114.94 117.73 2wyi s ASN 829 Ca 0.49 -0.40 0.16 0.00 0.21 0.00 0.00 52.86 53.32 2wyi s ASN 829 Cb -0.16 -0.46 1.25 0.00 -0.55 0.00 0.00 41.25 41.32 2wyi s ASN 829 CO 0.21 0.23 2.13 0.44 -2.79 0.00 0.00 177.10 177.31 2wyi h ASP 830 N 5.86 0.04 0.23 -4.21 3.32 -1.97 -2.17 116.42 117.52 2wyi h ASP 830 Ca -0.36 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2wyi h ASP 830 Cb 1.15 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2wyi h ASP 830 CO 0.48 0.03 -0.16 1.67 -1.72 0.00 0.00 179.24 179.54 2wyi n GLN 831 N -4.52 0.93 -3.96 3.56 7.27 -1.26 -4.35 117.38 115.05 2wyi n GLN 831 Ca -0.01 -0.47 -0.34 0.00 0.07 0.00 0.00 57.00 56.25 2wyi n GLN 831 Cb 0.13 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 31.15 2wyi n GLN 831 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wyi s VAL 832 N -2.39 2.91 0.25 1.69 1.01 -0.82 -0.80 120.40 122.25 2wyi s VAL 832 Ca 0.29 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 2wyi s VAL 832 Cb 0.20 -2.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 2wyi s VAL 832 CO 0.47 0.26 0.65 0.00 0.00 0.00 0.00 175.10 176.48 2wyi s ALA 833 N 1.35 3.44 -0.23 5.51 0.00 -0.41 -4.60 121.76 126.83 2wyi s ALA 833 Ca 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 2wyi s ALA 833 Cb -0.16 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 2wyi s ALA 833 CO -0.05 0.40 0.01 -1.17 0.00 0.00 0.00 175.76 174.95 2wyi s LEU 834 N -2.57 3.19 -0.04 0.00 2.96 -1.26 -1.80 118.68 119.15 2wyi s LEU 834 Ca 0.47 -0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 2wyi s LEU 834 Cb -0.13 -1.83 -0.11 0.00 0.50 0.00 0.00 46.19 44.63 2wyi s LEU 834 CO 0.19 -0.01 0.09 0.35 -1.32 0.00 0.00 176.35 175.65 2wyi n THR 835 N 4.77 0.27 -4.46 3.68 -2.24 -0.33 -4.71 114.28 111.26 2wyi n THR 835 Ca -0.17 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.16 2wyi n THR 835 Cb 0.51 -0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.31 2wyi n THR 835 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wyi s ALA 836 N -2.35 0.96 -0.34 6.98 0.00 -1.14 -4.86 121.76 121.01 2wyi s ALA 836 Ca -0.03 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2wyi s ALA 836 Cb 0.04 -0.22 0.17 0.00 0.00 0.00 0.00 23.12 23.11 2wyi s ALA 836 CO 0.32 0.22 0.49 0.12 0.00 0.00 0.00 175.76 176.91 2wyi s PHE 837 N -0.39 -1.16 0.07 0.00 5.36 -1.25 -2.01 117.98 118.60 2wyi s PHE 837 Ca 0.03 0.14 -0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2wyi s PHE 837 Cb -0.05 -0.02 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 2wyi s PHE 837 CO -0.00 -1.05 0.10 0.36 -1.46 0.00 0.00 175.22 173.16 2wyi n LYS 838 N 4.83 0.14 -4.40 10.12 2.85 -0.31 -2.33 118.16 129.07 2wyi n LYS 838 Ca 0.07 -0.58 -0.20 0.00 -1.05 0.00 0.00 58.31 56.54 2wyi n LYS 838 Cb 0.51 0.55 -0.10 0.00 -0.65 0.00 0.00 35.03 35.34 2wyi n LYS 838 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2wyi s ARG 839 N -2.17 1.47 -0.08 -1.58 0.52 -1.26 -0.63 118.95 115.22 2wyi s ARG 839 Ca 0.06 -1.68 -0.08 0.00 -0.52 0.00 0.00 55.73 53.51 2wyi s ARG 839 Cb -0.00 -1.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 2wyi s ARG 839 CO 0.04 0.20 0.21 0.50 0.02 0.00 0.00 175.30 176.27 2wyi s ARG 840 N -3.62 3.55 0.14 3.54 3.52 0.13 -4.81 118.95 121.40 2wyi s ARG 840 Ca 0.26 -0.03 -0.16 0.00 -0.13 0.00 0.00 55.73 55.67 2wyi s ARG 840 Cb -0.01 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2wyi s ARG 840 CO 0.10 0.74 1.69 1.25 -0.81 0.00 0.00 175.30 178.27 2wyi h LEU 841 N 4.75 0.57 -0.38 -0.88 5.85 -1.97 -0.36 115.31 122.88 2wyi h LEU 841 Ca -0.53 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.08 2wyi h LEU 841 Cb 1.22 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2wyi h LEU 841 CO 0.60 0.57 0.09 0.00 -0.34 0.00 0.00 178.44 179.36 2wyi h ALA 842 N 1.02 0.42 0.00 1.25 0.00 -1.98 -3.37 119.26 116.60 2wyi h ALA 842 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wyi h ALA 842 Cb 0.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wyi h ALA 842 CO -0.01 -0.31 0.00 -0.40 0.00 0.00 0.00 179.25 178.53 2wyi n ASP 843 N -5.08 0.00 -2.00 0.00 5.75 -1.24 -5.03 116.55 108.95 2wyi n ASP 843 Ca 0.02 -1.00 -0.20 0.00 -0.01 0.00 0.00 54.79 53.60 2wyi n ASP 843 Cb 0.17 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 2wyi n ASP 843 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wyi n ASN 844 N 0.00 -5.64 -4.75 -1.12 3.02 -0.15 -4.99 115.26 101.63 2wyi n ASN 844 Ca 0.00 0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.36 2wyi n ASN 844 Cb 0.49 -4.77 0.04 0.00 -0.61 0.00 0.00 39.78 34.93 2wyi n ASN 844 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wyi s ALA 845 N -2.91 2.80 -0.38 5.41 0.00 -1.26 -4.56 121.76 120.86 2wyi s ALA 845 Ca 0.00 1.28 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 2wyi s ALA 845 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.59 2wyi s ALA 845 CO 0.00 -1.32 0.95 -1.17 0.00 0.00 0.00 175.76 174.22 2wyi s LEU 846 N -3.55 3.97 -0.19 0.00 0.20 0.64 -0.69 118.68 119.06 2wyi s LEU 846 Ca 0.72 0.58 -0.16 0.00 0.69 0.00 0.00 54.13 55.95 2wyi s LEU 846 Cb -0.39 -3.29 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2wyi s LEU 846 CO 0.46 -0.89 0.42 -0.63 -0.29 0.00 0.00 176.35 175.42 2wyi s ILE 847 N 3.56 5.19 0.11 6.68 -1.09 0.20 0.41 121.20 136.25 2wyi s ILE 847 Ca 0.39 0.77 0.09 0.00 -2.23 0.00 0.00 60.65 59.68 2wyi s ILE 847 Cb -0.12 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2wyi s ILE 847 CO 0.20 0.26 -0.21 0.42 -1.23 0.00 0.00 174.94 174.37 2wyi s THR 848 N 1.20 2.62 -0.04 2.92 -4.23 0.16 -1.16 115.64 117.10 2wyi s THR 848 Ca 0.21 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.20 2wyi s THR 848 Cb -0.15 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.53 2wyi s THR 848 CO 0.08 0.14 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.62 2wyi s ARG 849 N -1.99 1.04 0.08 3.99 3.52 -0.85 -0.62 118.95 124.12 2wyi s ARG 849 Ca 0.16 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.56 2wyi s ARG 849 Cb -0.10 -0.96 -0.03 0.00 -1.56 0.00 0.00 34.95 32.30 2wyi s ARG 849 CO 0.08 0.03 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.35 2wyi s SER 850 N 0.54 1.59 0.03 -2.12 0.01 -0.03 -1.19 113.70 112.53 2wyi s SER 850 Ca -0.09 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.48 2wyi s SER 850 Cb -0.12 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 2wyi s SER 850 CO 0.01 -0.13 0.01 -0.72 0.41 0.00 0.00 173.24 172.82 2wyi s TYR 851 N -1.61 0.29 -0.28 2.43 -0.85 -0.75 0.52 117.35 117.11 2wyi s TYR 851 Ca -0.00 -0.63 -0.29 0.00 -0.52 0.00 0.00 57.07 55.63 2wyi s TYR 851 Cb -0.08 -0.22 -0.00 0.00 0.38 0.00 0.00 41.96 42.04 2wyi s TYR 851 CO 0.02 -0.28 1.35 1.21 -1.52 0.00 0.00 175.55 176.33 2wyi s ASN 852 N -1.96 6.64 0.00 -0.18 3.84 -0.58 -1.29 114.94 121.41 2wyi s ASN 852 Ca -0.08 1.30 0.07 0.00 0.21 0.00 0.00 52.86 54.36 2wyi s ASN 852 Cb -0.03 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.44 2wyi s ASN 852 CO -0.04 -1.09 1.15 0.18 -2.79 0.00 0.00 177.10 174.50 2wyi n LEU 853 N 7.71 0.00 -4.52 3.21 4.77 0.02 -4.26 117.00 123.93 2wyi n LEU 853 Ca 0.15 0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 56.19 2wyi n LEU 853 Cb 0.46 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 2wyi n LEU 853 CO 0.63 -0.30 -0.40 -0.55 -1.33 0.00 0.00 177.39 175.43 2wyi s SER 854 N -2.79 4.41 0.11 -1.43 0.15 -1.26 -4.12 113.70 108.77 2wyi s SER 854 Ca 0.05 -0.12 0.25 0.00 0.70 0.00 0.00 55.95 56.83 2wyi s SER 854 Cb 0.05 -1.22 0.54 0.00 -1.71 0.00 0.00 66.02 63.68 2wyi s SER 854 CO 0.11 0.31 1.48 0.59 1.20 0.00 0.00 173.24 176.93 2wyi n ASN 855 N 2.58 0.63 -0.09 5.45 4.13 -1.26 -1.80 115.26 124.90 2wyi n ASN 855 Ca -0.18 0.19 -0.16 0.00 1.68 0.00 0.00 54.58 56.12 2wyi n ASN 855 Cb 0.53 -0.08 -0.08 0.00 -1.54 0.00 0.00 39.78 38.61 2wyi n ASN 855 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2wyi n ASP 856 N -2.00 1.85 -4.28 6.41 9.92 -1.26 -4.63 116.55 122.56 2wyi n ASP 856 Ca 0.04 0.49 -0.21 0.00 -0.53 0.00 0.00 54.79 54.58 2wyi n ASP 856 Cb 0.41 -0.92 -0.12 0.00 -0.64 0.00 0.00 41.12 39.85 2wyi n ASP 856 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2wyi s LYS 857 N -2.34 1.12 0.99 -1.24 -2.85 -1.26 -4.85 119.74 109.31 2wyi s LYS 857 Ca -0.25 -1.25 -0.13 0.00 -1.00 0.00 0.00 55.97 53.35 2wyi s LYS 857 Cb 0.05 -1.18 0.18 0.00 -2.06 0.00 0.00 37.83 34.82 2wyi s LYS 857 CO 0.46 0.25 1.11 0.95 0.10 0.00 0.00 175.35 178.22 2wyi s THR 858 N -1.75 1.97 0.22 3.79 -4.23 -1.26 -4.49 115.64 109.89 2wyi s THR 858 Ca 0.09 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.45 2wyi s THR 858 Cb -0.07 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.20 2wyi s THR 858 CO 0.05 0.00 0.51 0.00 -0.54 0.00 0.00 174.62 174.64 2wyi s ASP 860 N -2.93 6.96 -0.19 0.00 2.15 -1.26 -1.60 116.67 119.79 2wyi s ASP 860 Ca 0.14 2.41 -0.03 0.00 0.43 0.00 0.00 52.55 55.51 2wyi s ASP 860 Cb -0.01 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 2wyi s ASP 860 CO 0.02 -0.45 -0.07 0.12 -0.17 0.00 0.00 175.17 174.63 2wyi s PHE 861 N -0.35 2.92 0.00 -5.34 5.36 0.11 -4.75 117.98 115.94 2wyi s PHE 861 Ca 0.53 -0.87 0.12 0.00 -0.96 0.00 0.00 56.93 55.74 2wyi s PHE 861 Cb -0.36 -2.03 0.19 0.00 -0.34 0.00 0.00 43.02 40.49 2wyi s PHE 861 CO 0.41 -0.45 1.02 -1.13 -1.46 0.00 0.00 175.22 173.61 2wyi n SER 862 N 4.41 0.23 -4.70 6.13 3.41 -1.26 -4.35 113.62 117.50 2wyi n SER 862 Ca -0.18 -1.89 -0.44 0.00 -0.26 0.00 0.00 58.87 56.10 2wyi n SER 862 Cb 0.51 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2wyi n SER 862 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2wyi n LEU 863 N 0.22 3.59 -3.73 1.04 7.94 -1.19 -4.21 117.00 120.67 2wyi n LEU 863 Ca -0.03 1.15 -0.12 0.00 -1.11 0.00 0.00 56.01 55.90 2wyi n LEU 863 Cb 0.88 -1.49 -0.12 0.00 0.53 0.00 0.00 43.42 43.22 2wyi n LEU 863 CO -0.05 -0.25 -0.05 -0.55 -1.11 0.00 0.00 177.39 175.38 2wyi s SER 864 N 0.33 -0.35 -0.41 1.96 0.15 -0.19 -4.98 113.70 110.21 2wyi s SER 864 Ca 0.66 0.66 -0.09 0.00 0.70 0.00 0.00 55.95 57.87 2wyi s SER 864 Cb -0.59 0.57 0.07 0.00 -1.71 0.00 0.00 66.02 64.35 2wyi s SER 864 CO 0.50 -0.16 0.24 -0.76 1.20 0.00 0.00 173.24 174.26 2wyi s LEU 865 N 1.06 5.05 0.37 3.45 1.02 -1.26 -0.44 118.68 127.92 2wyi s LEU 865 Ca -0.07 -1.40 -0.28 0.00 0.02 0.00 0.00 54.13 52.40 2wyi s LEU 865 Cb -0.08 -1.99 -0.11 0.00 0.02 0.00 0.00 46.19 44.02 2wyi s LEU 865 CO -0.08 -0.50 1.40 -2.65 0.02 0.00 0.00 176.35 174.54 2wyi n PRO 866 N 4.93 2.42 -0.87 1.29 -0.02 -1.26 -1.55 135.00 139.94 2wyi n PRO 866 Ca -0.10 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2wyi n PRO 866 Cb 0.44 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2wyi n PRO 866 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wyi n ASN 867 N 0.56 -0.12 -4.29 2.55 3.02 -1.26 -5.04 115.26 110.68 2wyi n ASN 867 Ca 0.03 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.35 2wyi n ASN 867 Cb 0.38 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.41 2wyi n ASN 867 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wyi s TYR 868 N -3.67 1.77 -0.02 3.10 2.02 -0.59 -0.41 117.35 119.54 2wyi s TYR 868 Ca 0.00 -0.44 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 2wyi s TYR 868 Cb 0.00 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 2wyi s TYR 868 CO 0.00 0.23 -0.15 -0.80 -1.57 0.00 0.00 175.55 173.27 2wyi s ASN 869 N -2.13 4.00 0.07 2.29 0.01 -0.45 -4.75 114.94 113.99 2wyi s ASN 869 Ca 0.09 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.02 2wyi s ASN 869 Cb -0.09 -0.80 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 2wyi s ASN 869 CO 0.05 0.32 0.10 0.00 -1.51 0.00 0.00 177.10 176.06 2wyi s ALA 870 N -0.79 3.63 0.04 0.60 0.00 -1.26 -1.44 121.76 122.54 2wyi s ALA 870 Ca 0.13 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2wyi s ALA 870 Cb -0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 2wyi s ALA 870 CO 0.02 0.76 -0.06 -1.59 0.00 0.00 0.00 175.76 174.89 2wyi s LYS 871 N -2.39 0.51 0.24 0.00 -2.85 -0.59 -4.83 119.74 109.83 2wyi s LYS 871 Ca 0.30 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 54.16 2wyi s LYS 871 Cb -0.12 -0.14 -0.09 0.00 -2.06 0.00 0.00 37.83 35.41 2wyi s LYS 871 CO 0.23 0.01 1.30 0.08 0.10 0.00 0.00 175.35 177.06 2wyi s VAL 872 N -1.81 3.08 0.38 1.79 1.01 -1.25 -0.91 120.40 122.69 2wyi s VAL 872 Ca -0.08 0.94 0.05 0.00 0.00 0.00 0.00 61.98 62.89 2wyi s VAL 872 Cb -0.07 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2wyi s VAL 872 CO -0.01 0.17 0.03 0.42 0.00 0.00 0.00 175.10 175.71 2wyi s THR 873 N -0.27 1.55 0.94 3.92 -4.23 -0.06 -1.38 115.64 116.11 2wyi s THR 873 Ca 0.54 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 2wyi s THR 873 Cb -0.37 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 70.84 2wyi s THR 873 CO 0.42 0.00 1.29 0.54 -0.54 0.00 0.00 174.62 176.32 2wyi s ASN 874 N -3.62 3.10 0.55 3.99 2.20 -0.65 -4.29 114.94 116.21 2wyi s ASN 874 Ca 0.33 0.01 0.23 0.00 -0.94 0.00 0.00 52.86 52.49 2wyi s ASN 874 Cb 0.09 -0.02 1.49 0.00 -2.00 0.00 0.00 41.25 40.80 2wyi s ASN 874 CO 0.16 -2.72 2.15 -0.07 -2.94 0.00 0.00 177.10 173.68 2wyi h LEU 875 N -1.52 0.00 -2.12 3.54 3.38 -1.40 0.24 115.31 117.43 2wyi h LEU 875 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2wyi h LEU 875 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2wyi h LEU 875 CO 0.33 0.00 0.00 0.18 0.09 0.00 0.00 178.44 179.04 2wyi n LEU 876 N -4.23 3.18 -0.34 1.67 4.77 -1.26 -4.91 117.00 115.88 2wyi n LEU 876 Ca -0.00 -1.60 -0.04 0.00 -0.03 0.00 0.00 56.01 54.33 2wyi n LEU 876 Cb 0.20 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2wyi n LEU 876 CO 0.32 0.54 -0.04 -0.62 -1.33 0.00 0.00 177.39 176.26 2wyi n GLU 877 N 0.60 -0.91 -2.79 3.23 1.02 0.07 -4.98 120.64 116.89 2wyi n GLU 877 Ca 0.16 0.51 -0.42 0.00 -0.02 0.00 0.00 57.16 57.39 2wyi n GLU 877 Cb 0.61 -4.36 -0.03 0.00 -0.02 0.00 0.00 31.44 27.64 2wyi n GLU 877 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2wyi s LYS 878 N -1.80 4.32 0.41 3.49 -0.14 -1.26 -4.83 119.74 119.94 2wyi s LYS 878 Ca 0.00 1.18 -0.24 0.00 -1.36 0.00 0.00 55.97 55.55 2wyi s LYS 878 Cb 0.00 -3.58 -0.11 0.00 -1.68 0.00 0.00 37.83 32.46 2wyi s LYS 878 CO 0.00 -0.38 0.98 -0.25 -0.76 0.00 0.00 175.35 174.93 2wyi n ASP 879 N 5.39 1.11 -4.64 2.83 8.00 -1.26 -1.64 116.55 126.33 2wyi n ASP 879 Ca 0.07 1.03 -0.28 0.00 0.71 0.00 0.00 54.79 56.33 2wyi n ASP 879 Cb 0.48 -1.33 -0.10 0.00 -0.02 0.00 0.00 41.12 40.15 2wyi n ASP 879 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wyi s SER 880 N -0.75 3.96 0.23 -2.24 1.04 -0.48 -4.82 113.70 110.64 2wyi s SER 880 Ca 0.63 -1.36 0.11 0.00 0.48 0.00 0.00 55.95 55.82 2wyi s SER 880 Cb -0.57 -0.35 0.09 0.00 0.10 0.00 0.00 66.02 65.29 2wyi s SER 880 CO 0.57 -0.49 1.44 0.07 0.98 0.00 0.00 173.24 175.82 2wyi h LYS 881 N 1.70 0.00 -6.51 4.02 -0.00 -1.96 -3.43 116.57 110.40 2wyi h LYS 881 Ca -0.44 0.00 -0.60 0.00 -0.00 0.00 0.00 60.65 59.61 2wyi h LYS 881 Cb 1.25 0.00 0.12 0.00 -0.00 0.00 0.00 32.23 33.60 2wyi h LYS 881 CO 0.79 0.71 0.06 0.94 -0.00 0.00 0.00 179.45 181.95 2wyi n GLN 882 N -3.41 1.22 -3.40 0.07 7.27 -1.26 -4.98 117.38 112.88 2wyi n GLN 882 Ca 0.00 0.43 -0.25 0.00 0.07 0.00 0.00 57.00 57.26 2wyi n GLN 882 Cb 0.77 -1.86 -0.02 0.00 2.41 0.00 0.00 30.24 31.55 2wyi n GLN 882 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2wyi s SER 883 N -0.69 6.32 -0.00 1.69 1.04 -1.26 -3.97 113.70 116.83 2wyi s SER 883 Ca 0.61 0.48 -0.30 0.00 0.48 0.00 0.00 55.95 57.22 2wyi s SER 883 Cb -0.64 -2.04 -0.07 0.00 0.10 0.00 0.00 66.02 63.36 2wyi s SER 883 CO 0.58 -0.26 1.85 -0.89 0.98 0.00 0.00 173.24 175.50 2wyi s THR 884 N -2.25 3.24 0.72 2.02 2.01 -1.26 -4.85 115.64 115.27 2wyi s THR 884 Ca 0.40 0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.57 2wyi s THR 884 Cb -0.10 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.25 2wyi s THR 884 CO 0.35 -0.03 1.10 -2.84 -0.69 0.00 0.00 174.62 172.51 2wyi s PRO 885 N 4.32 2.51 0.00 4.92 0.02 -1.26 -4.96 135.00 140.54 2wyi s PRO 885 Ca 0.83 1.28 0.21 0.00 0.02 0.00 0.00 61.00 63.34 2wyi s PRO 885 Cb -0.39 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.15 2wyi s PRO 885 CO 0.37 -1.46 1.00 -1.13 -0.33 0.00 0.00 177.00 175.44 2wyi n SER 886 N -2.99 1.70 -3.86 2.53 3.41 -1.26 -4.85 113.62 108.29 2wyi n SER 886 Ca 0.10 -1.35 -0.11 0.00 -0.26 0.00 0.00 58.87 57.25 2wyi n SER 886 Cb 0.52 0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 64.99 2wyi n SER 886 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wyi s GLN 887 N -2.52 0.41 -0.09 4.33 -0.21 -1.26 -0.71 119.66 119.61 2wyi s GLN 887 Ca 0.15 -0.27 -0.13 0.00 0.02 0.00 0.00 55.36 55.13 2wyi s GLN 887 Cb 0.17 0.17 -0.05 0.00 1.00 0.00 0.00 33.01 34.30 2wyi s GLN 887 CO 0.62 -0.09 0.31 -0.51 -2.12 0.00 0.00 175.29 173.50 2wyi s LEU 888 N -1.06 4.37 0.97 2.90 1.43 -0.63 -4.77 118.68 121.89 2wyi s LEU 888 Ca -0.11 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 2wyi s LEU 888 Cb -0.06 -2.40 0.17 0.00 0.03 0.00 0.00 46.19 43.93 2wyi s LEU 888 CO 0.01 0.26 1.08 -0.83 0.23 0.00 0.00 176.35 177.10 2wyi s GLY 889 N -0.47 1.60 0.24 -3.19 0.00 -1.26 -2.92 107.32 101.31 2wyi s GLY 889 Ca 0.19 -0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.50 2wyi s GLY 889 CO 0.08 0.46 1.69 -1.59 0.00 0.00 0.00 173.10 173.73 2wyi s LYS 890 N -4.83 4.12 -1.64 2.90 -2.85 -1.26 -1.79 119.74 114.39 2wyi s LYS 890 Ca 0.65 2.61 0.00 0.00 -1.00 0.00 0.00 55.97 58.23 2wyi s LYS 890 Cb -0.20 -3.05 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 2wyi s LYS 890 CO 0.59 -0.72 0.00 0.00 0.10 0.00 0.00 175.35 175.32 2wyi n ALA 891 N 3.37 -0.47 -2.11 0.59 0.00 -0.74 -4.07 120.51 117.08 2wyi n ALA 891 Ca 0.13 0.21 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 2wyi n ALA 891 Cb 0.36 -1.80 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 2wyi n ALA 891 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wyi s GLU 892 N -4.22 4.45 -0.28 0.00 2.12 -0.74 -4.60 118.70 115.42 2wyi s GLU 892 Ca 0.00 1.91 -0.09 0.00 0.36 0.00 0.00 54.97 57.15 2wyi s GLU 892 Cb 0.00 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 31.12 2wyi s GLU 892 CO 0.00 -0.17 0.12 0.42 -0.54 0.00 0.00 175.26 175.09 2wyi s ILE 893 N 0.25 4.53 -0.18 -3.70 1.01 -1.26 -1.52 121.20 120.33 2wyi s ILE 893 Ca 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 2wyi s ILE 893 Cb -0.33 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.90 2wyi s ILE 893 CO 0.35 0.18 -0.11 -0.22 0.00 0.00 0.00 174.94 175.14 2wyi s LEU 894 N 1.62 2.65 -0.13 2.97 2.96 0.18 -4.96 118.68 123.98 2wyi s LEU 894 Ca 0.05 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 2wyi s LEU 894 Cb -0.16 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 2wyi s LEU 894 CO 0.06 0.05 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.15 2wyi s THR 895 N 1.04 3.34 -0.02 3.68 2.01 -1.26 -0.85 115.64 123.59 2wyi s THR 895 Ca -0.00 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.47 2wyi s THR 895 Cb -0.15 -2.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2wyi s THR 895 CO -0.02 0.52 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.54 2wyi s LEU 896 N 0.29 1.98 -0.26 4.42 1.43 0.21 -0.89 118.68 125.87 2wyi s LEU 896 Ca -0.08 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2wyi s LEU 896 Cb -0.15 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 2wyi s LEU 896 CO 0.05 0.15 0.13 0.00 0.23 0.00 0.00 176.35 176.90 2wyi s ALA 897 N -0.21 3.36 -0.17 4.21 0.00 -0.09 -0.67 121.76 128.20 2wyi s ALA 897 Ca 0.03 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 2wyi s ALA 897 Cb -0.06 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2wyi s ALA 897 CO -0.00 -0.46 0.03 -1.58 0.00 0.00 0.00 175.76 173.75 2wyi s TRP 898 N 1.58 3.19 -0.05 0.00 0.52 0.17 -1.54 118.94 122.82 2wyi s TRP 898 Ca 0.06 -0.02 0.06 0.00 0.02 0.00 0.00 56.10 56.23 2wyi s TRP 898 Cb -0.15 -2.03 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 2wyi s TRP 898 CO 0.07 0.13 -0.23 0.15 0.02 0.00 0.00 176.95 177.09 2wyi s LYS 899 N 0.29 2.26 0.15 4.98 1.02 -0.52 -0.26 119.74 127.67 2wyi s LYS 899 Ca 0.02 -0.82 -0.32 0.00 0.02 0.00 0.00 55.97 54.87 2wyi s LYS 899 Cb -0.13 -1.95 -0.12 0.00 -0.52 0.00 0.00 37.83 35.11 2wyi s LYS 899 CO 0.01 0.36 1.75 1.17 -0.92 0.00 0.00 175.35 177.72 2wyi n LYS 900 N 2.95 2.65 0.00 1.68 3.00 -1.26 -1.34 118.16 125.84 2wyi n LYS 900 Ca -0.17 0.96 0.16 0.00 -0.00 0.00 0.00 58.31 59.25 2wyi n LYS 900 Cb 0.52 -2.81 0.93 0.00 0.00 0.00 0.00 35.03 33.67 2wyi n LYS 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40