#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bws s THR 51 N 0.00 2.25 -0.05 2.61 -4.23 -1.26 0.40 115.64 115.36 3bws s THR 51 Ca 0.00 -2.20 0.02 0.00 -1.18 0.00 0.00 61.69 58.33 3bws s THR 51 Cb 0.00 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.20 3bws s THR 51 CO 0.00 -0.20 -0.10 -1.61 -0.54 0.00 0.00 174.62 172.17 3bws s GLU 52 N -3.61 1.27 -0.24 3.99 2.02 0.80 -4.86 118.70 118.07 3bws s GLU 52 Ca 0.33 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.74 3bws s GLU 52 Cb 0.02 -1.12 0.00 0.00 0.10 0.00 0.00 34.13 33.14 3bws s GLU 52 CO 0.17 0.04 0.90 0.42 0.02 0.00 0.00 175.26 176.81 3bws s ILE 53 N 0.54 4.78 0.23 -1.63 -1.09 -1.26 -0.78 121.20 122.00 3bws s ILE 53 Ca -0.10 1.73 0.10 0.00 -2.23 0.00 0.00 60.65 60.15 3bws s ILE 53 Cb -0.13 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.52 3bws s ILE 53 CO 0.02 -0.11 -0.07 0.68 -1.23 0.00 0.00 174.94 174.22 3bws s VAL 54 N 2.96 3.19 -0.09 2.92 -7.23 -1.26 -5.00 120.40 115.89 3bws s VAL 54 Ca 0.38 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3bws s VAL 54 Cb -0.15 -2.64 0.02 0.00 0.56 0.00 0.00 36.38 34.16 3bws s VAL 54 CO 0.07 -0.26 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.94 3bws s LYS 55 N -3.26 1.80 0.31 4.82 1.02 -1.26 -4.24 119.74 118.92 3bws s LYS 55 Ca 0.28 -0.42 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 3bws s LYS 55 Cb -0.07 -1.58 0.01 0.00 -0.52 0.00 0.00 37.83 35.67 3bws s LYS 55 CO 0.17 -0.06 0.57 -0.59 -0.92 0.00 0.00 175.35 174.52 3bws s PHE 56 N 0.98 0.43 0.03 3.18 -0.71 -0.80 -0.50 117.98 120.59 3bws s PHE 56 Ca -0.08 -0.84 0.04 0.00 -1.04 0.00 0.00 56.93 55.01 3bws s PHE 56 Cb -0.15 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 41.94 3bws s PHE 56 CO -0.00 -1.18 -0.08 -1.12 -1.34 0.00 0.00 175.22 171.49 3bws s SER 57 N -3.08 4.52 0.02 1.98 0.01 0.82 -0.91 113.70 117.07 3bws s SER 57 Ca 0.22 -0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.33 3bws s SER 57 Cb -0.02 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.19 3bws s SER 57 CO 0.12 0.26 -0.20 0.27 0.41 0.00 0.00 173.24 174.10 3bws s ILE 58 N -1.04 1.62 -0.21 1.44 -4.36 0.12 -0.81 121.20 117.96 3bws s ILE 58 Ca 0.18 -1.05 -0.04 0.00 -0.26 0.00 0.00 60.65 59.48 3bws s ILE 58 Cb -0.11 -1.38 0.10 0.00 1.25 0.00 0.00 42.46 42.31 3bws s ILE 58 CO 0.09 0.30 0.24 -2.28 0.24 0.00 0.00 174.94 173.53 3bws s HIS 59 N -0.66 -0.33 0.59 1.37 2.46 -0.41 -1.45 115.29 116.85 3bws s HIS 59 Ca 0.07 0.23 -0.09 0.00 0.47 0.00 0.00 55.06 55.74 3bws s HIS 59 Cb -0.08 -0.35 -0.03 0.00 -0.13 0.00 0.00 32.58 31.99 3bws s HIS 59 CO 0.01 -0.64 0.96 -1.25 -2.47 0.00 0.00 174.74 171.35 3bws s PRO 60 N 2.34 3.47 -0.13 2.88 0.04 -1.26 -1.00 135.00 141.34 3bws s PRO 60 Ca 0.08 0.52 -0.15 0.00 0.04 0.00 0.00 61.00 61.48 3bws s PRO 60 Cb -0.16 -2.17 -0.25 0.00 0.04 0.00 0.00 34.50 31.97 3bws s PRO 60 CO -0.14 -0.52 0.44 -0.92 0.04 0.00 0.00 177.00 175.89 3bws h TYR 61 N -0.19 0.33 -2.49 0.56 3.20 -1.48 -3.43 116.97 113.47 3bws h TYR 61 Ca -0.45 -0.24 -0.53 0.00 3.14 0.00 0.00 58.73 60.64 3bws h TYR 61 Cb 1.20 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 39.48 3bws h TYR 61 CO 0.61 1.58 1.15 0.15 -1.64 0.00 0.00 178.16 180.01 3bws s LYS 62 N -2.46 4.16 0.00 1.82 1.02 -1.26 -2.13 119.74 120.89 3bws s LYS 62 Ca -0.23 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.25 3bws s LYS 62 Cb 0.05 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 3bws s LYS 62 CO 0.72 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 3bws n GLY 63 N 4.34 1.39 3.74 -3.33 0.00 -1.26 -4.78 105.19 105.28 3bws n GLY 63 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3bws n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bws s THR 64 N -3.29 4.82 -0.01 2.61 2.01 -0.90 -4.38 115.64 116.49 3bws s THR 64 Ca 0.00 1.58 0.07 0.00 0.31 0.00 0.00 61.69 63.65 3bws s THR 64 Cb 0.00 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.39 3bws s THR 64 CO 0.00 0.34 -0.23 0.54 -0.69 0.00 0.00 174.62 174.58 3bws s VAL 65 N 0.16 2.36 -0.16 3.82 0.11 -0.31 -5.00 120.40 121.38 3bws s VAL 65 Ca 0.38 -1.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 3bws s VAL 65 Cb -0.20 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.76 3bws s VAL 65 CO 0.22 0.51 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.75 3bws s ILE 66 N -0.71 2.97 0.25 7.04 1.01 -1.26 -1.94 121.20 128.56 3bws s ILE 66 Ca 0.11 -0.67 0.12 0.00 0.00 0.00 0.00 60.65 60.21 3bws s ILE 66 Cb -0.10 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 3bws s ILE 66 CO 0.01 0.50 -0.21 -0.13 0.00 0.00 0.00 174.94 175.11 3bws s ARG 67 N 0.75 1.64 -0.13 2.79 0.52 -0.30 -0.77 118.95 123.45 3bws s ARG 67 Ca -0.05 -1.68 -0.05 0.00 -0.52 0.00 0.00 55.73 53.43 3bws s ARG 67 Cb -0.15 -1.80 0.06 0.00 0.52 0.00 0.00 34.95 33.58 3bws s ARG 67 CO 0.01 0.35 0.26 -1.17 0.02 0.00 0.00 175.30 174.78 3bws s LEU 68 N -3.23 -0.28 -1.46 2.53 2.96 -0.00 -0.71 118.68 118.48 3bws s LEU 68 Ca 0.27 0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3bws s LEU 68 Cb -0.06 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.32 3bws s LEU 68 CO 0.13 -0.24 0.07 0.61 -1.32 0.00 0.00 176.35 175.61 3bws n GLY 69 N 5.32 -0.35 2.35 7.98 0.00 -1.26 -2.46 105.19 116.78 3bws n GLY 69 Ca -0.07 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 3bws n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bws n GLU 70 N -2.78 -0.78 -4.61 1.61 1.02 -1.26 -5.02 120.64 108.82 3bws n GLU 70 Ca -0.19 0.65 -0.30 0.00 -0.02 0.00 0.00 57.16 57.29 3bws n GLU 70 Cb 0.65 -4.50 -0.13 0.00 -0.02 0.00 0.00 31.44 27.44 3bws n GLU 70 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3bws s GLU 71 N -2.21 1.95 0.21 3.49 2.02 -1.03 -5.09 118.70 118.04 3bws s GLU 71 Ca 0.00 -1.05 -0.31 0.00 0.02 0.00 0.00 54.97 53.63 3bws s GLU 71 Cb 0.00 -2.13 -0.10 0.00 0.10 0.00 0.00 34.13 31.99 3bws s GLU 71 CO 0.00 0.52 1.56 0.42 0.02 0.00 0.00 175.26 177.78 3bws s ILE 72 N -0.96 2.47 -0.47 -1.63 -1.09 -1.26 -0.82 121.20 117.44 3bws s ILE 72 Ca 0.15 0.36 -0.13 0.00 -2.23 0.00 0.00 60.65 58.79 3bws s ILE 72 Cb -0.10 -3.23 0.09 0.00 -1.58 0.00 0.00 42.46 37.64 3bws s ILE 72 CO 0.06 0.04 0.37 -0.76 -1.23 0.00 0.00 174.94 173.42 3bws s LEU 73 N 0.54 5.60 0.45 2.97 1.43 0.05 -4.86 118.68 124.87 3bws s LEU 73 Ca 0.67 -1.51 -0.23 0.00 -1.03 0.00 0.00 54.13 52.02 3bws s LEU 73 Cb -0.45 -2.12 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 3bws s LEU 73 CO 0.37 -0.66 1.17 -2.16 0.23 0.00 0.00 176.35 175.30 3bws s PRO 74 N 1.55 3.80 0.20 1.29 0.04 -1.26 -4.61 135.00 136.00 3bws s PRO 74 Ca 0.04 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.92 3bws s PRO 74 Cb -0.25 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 3bws s PRO 74 CO 0.04 -0.52 -0.06 -0.59 0.04 0.00 0.00 177.00 175.91 3bws s PHE 75 N -1.52 1.51 -0.09 0.56 -0.71 -1.26 -4.12 117.98 112.35 3bws s PHE 75 Ca 0.63 -0.80 0.04 0.00 -1.04 0.00 0.00 56.93 55.76 3bws s PHE 75 Cb -0.29 -0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 40.70 3bws s PHE 75 CO 0.36 0.08 -0.23 0.21 -1.34 0.00 0.00 175.22 174.30 3bws s LYS 76 N -3.78 2.89 -0.06 1.99 2.20 0.76 -4.94 119.74 118.79 3bws s LYS 76 Ca 0.24 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 3bws s LYS 76 Cb 0.04 -2.29 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 3bws s LYS 76 CO 0.06 0.27 1.01 0.08 -0.36 0.00 0.00 175.35 176.41 3bws s VAL 77 N 0.13 4.77 -0.26 4.02 1.01 -1.26 -0.35 120.40 128.45 3bws s VAL 77 Ca -0.12 2.02 -0.07 0.00 0.00 0.00 0.00 61.98 63.81 3bws s VAL 77 Cb -0.16 -4.30 -0.15 0.00 0.00 0.00 0.00 36.38 31.77 3bws s VAL 77 CO 0.06 0.06 -0.25 0.18 0.00 0.00 0.00 175.10 175.15 3bws n LEU 78 N 4.63 2.41 -3.92 3.92 4.77 0.15 -4.94 117.00 124.02 3bws n LEU 78 Ca 0.08 0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 3bws n LEU 78 Cb 0.49 -0.88 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 3bws n LEU 78 CO 0.52 0.73 -0.34 -1.61 -1.33 0.00 0.00 177.39 175.36 3bws s GLU 79 N -2.51 0.19 -0.12 3.23 2.02 -0.83 -4.99 118.70 115.69 3bws s GLU 79 Ca -0.36 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.34 3bws s GLU 79 Cb 0.12 0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.43 3bws s GLU 79 CO 0.55 -0.03 -0.20 1.41 0.02 0.00 0.00 175.26 177.00 3bws s MET 80 N -0.80 2.80 -0.37 1.61 1.75 -1.26 -0.92 119.30 122.11 3bws s MET 80 Ca -0.09 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.59 3bws s MET 80 Cb -0.05 -2.25 0.12 0.00 2.84 0.00 0.00 34.83 35.48 3bws s MET 80 CO -0.00 0.01 0.15 0.34 -0.65 0.00 0.00 175.02 174.87 3bws s ASP 81 N 0.77 3.97 1.06 1.11 2.15 0.78 -5.01 116.67 121.51 3bws s ASP 81 Ca -0.09 -2.15 0.00 0.00 0.43 0.00 0.00 52.55 50.73 3bws s ASP 81 Cb -0.16 -1.05 0.00 0.00 -0.30 0.00 0.00 42.92 41.41 3bws s ASP 81 CO 0.00 -0.34 0.00 0.29 -0.17 0.00 0.00 175.17 174.95 3bws n LYS 82 N 4.18 0.00 -0.27 4.34 4.01 -1.26 -0.86 118.16 128.30 3bws n LYS 82 Ca 0.03 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.93 3bws n LYS 82 Cb 0.39 0.00 0.26 0.00 -0.51 0.00 0.00 35.03 35.17 3bws n LYS 82 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3bws n ASN 83 N 6.85 3.08 -4.55 4.39 3.02 -1.26 -4.86 115.26 121.92 3bws n ASN 83 Ca 0.00 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.22 3bws n ASN 83 Cb 0.00 -0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 3bws n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3bws s ILE 84 N -1.29 4.45 -0.11 2.41 1.01 -0.04 -1.75 121.20 125.89 3bws s ILE 84 Ca 0.39 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.91 3bws s ILE 84 Cb 0.21 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 3bws s ILE 84 CO 0.27 0.44 -0.18 0.00 0.00 0.00 0.00 174.94 175.47 3bws s ALA 85 N 0.68 2.41 -0.20 9.38 0.00 -0.53 -0.16 121.76 133.34 3bws s ALA 85 Ca 0.02 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 50.80 3bws s ALA 85 Cb -0.14 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 3bws s ALA 85 CO 0.02 0.30 0.79 -1.17 0.00 0.00 0.00 175.76 175.70 3bws s LEU 86 N 0.22 4.13 0.11 0.00 2.96 -0.10 -0.70 118.68 125.30 3bws s LEU 86 Ca -0.12 1.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.90 3bws s LEU 86 Cb -0.16 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 3bws s LEU 86 CO 0.06 -0.42 -0.13 0.68 -1.32 0.00 0.00 176.35 175.23 3bws s VAL 87 N 2.35 1.22 0.42 1.68 -7.23 -0.08 0.34 120.40 119.08 3bws s VAL 87 Ca 0.35 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 58.95 3bws s VAL 87 Cb -0.16 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.29 3bws s VAL 87 CO 0.10 -0.42 0.08 -1.83 -0.31 0.00 0.00 175.10 172.73 3bws s GLU 88 N -2.56 2.08 -0.10 4.82 -1.05 0.52 -1.91 118.70 120.50 3bws s GLU 88 Ca 0.07 -2.01 0.02 0.00 -0.15 0.00 0.00 54.97 52.89 3bws s GLU 88 Cb -0.05 -1.78 0.01 0.00 -0.44 0.00 0.00 34.13 31.88 3bws s GLU 88 CO 0.02 -0.09 -0.15 0.00 0.95 0.00 0.00 175.26 175.99 3bws s ALA 90 N -2.67 1.63 -0.10 -0.84 0.00 -1.26 -0.17 121.76 118.34 3bws s ALA 90 Ca 0.36 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3bws s ALA 90 Cb 0.07 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3bws s ALA 90 CO 0.19 -0.03 -0.16 0.42 0.00 0.00 0.00 175.76 176.19 3bws s ILE 91 N 0.91 2.83 0.62 0.00 1.01 0.04 -4.84 121.20 121.78 3bws s ILE 91 Ca -0.09 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 3bws s ILE 91 Cb -0.15 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3bws s ILE 91 CO -0.00 0.55 1.19 -2.16 0.00 0.00 0.00 174.94 174.52 3bws s PRO 92 N 0.07 2.84 -0.74 2.79 0.04 -1.26 -0.14 135.00 138.61 3bws s PRO 92 Ca -0.07 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 3bws s PRO 92 Cb -0.15 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.57 3bws s PRO 92 CO 0.05 -1.29 0.95 0.08 0.04 0.00 0.00 177.00 176.83 3bws s VAL 93 N -1.74 4.61 0.24 -0.36 1.01 0.16 -4.81 120.40 119.51 3bws s VAL 93 Ca 0.76 -0.96 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 3bws s VAL 93 Cb -0.29 -4.66 -0.11 0.00 0.00 0.00 0.00 36.38 31.32 3bws s VAL 93 CO 0.35 -1.39 1.55 -0.31 0.00 0.00 0.00 175.10 175.30 3bws s TYR 94 N 3.18 2.94 0.19 5.22 1.51 -1.26 -4.66 117.35 124.47 3bws s TYR 94 Ca 0.23 0.79 0.02 0.00 -1.01 0.00 0.00 57.07 57.09 3bws s TYR 94 Cb -0.14 -3.95 0.02 0.00 -0.11 0.00 0.00 41.96 37.77 3bws s TYR 94 CO 0.02 -3.29 0.15 0.36 -1.11 0.00 0.00 175.55 171.68 3bws n LYS 95 N 2.85 1.19 -4.21 -0.62 2.85 -1.26 -4.76 118.16 114.20 3bws n LYS 95 Ca 0.10 -1.16 -0.32 0.00 -1.05 0.00 0.00 58.31 55.88 3bws n LYS 95 Cb 0.38 0.11 -0.05 0.00 -0.65 0.00 0.00 35.03 34.82 3bws n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3bws n ASP 96 N -2.01 -0.79 -0.72 -5.58 8.00 -1.26 -1.55 116.55 112.65 3bws n ASP 96 Ca -0.00 -1.12 -0.09 0.00 0.71 0.00 0.00 54.79 54.28 3bws n ASP 96 Cb 0.21 -2.34 -0.04 0.00 -0.02 0.00 0.00 41.12 38.93 3bws n ASP 96 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3bws n GLU 97 N -4.41 -1.40 -2.35 -1.24 0.28 -1.26 -4.96 120.64 105.29 3bws n GLU 97 Ca -0.17 0.79 -0.42 0.00 -0.16 0.00 0.00 57.16 57.19 3bws n GLU 97 Cb 0.62 -5.02 -0.03 0.00 1.43 0.00 0.00 31.44 28.44 3bws n GLU 97 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3bws s LYS 98 N -2.63 4.31 0.15 3.44 1.02 -0.59 -5.01 119.74 120.43 3bws s LYS 98 Ca 0.00 1.80 -0.30 0.00 0.02 0.00 0.00 55.97 57.49 3bws s LYS 98 Cb 0.00 -3.59 -0.07 0.00 -0.52 0.00 0.00 37.83 33.65 3bws s LYS 98 CO 0.00 -0.53 1.07 -2.00 -0.92 0.00 0.00 175.35 172.98 3bws s GLU 99 N 2.42 4.60 -0.51 1.68 2.12 -1.26 -4.68 118.70 123.08 3bws s GLU 99 Ca 0.59 1.65 -0.25 0.00 0.36 0.00 0.00 54.97 57.32 3bws s GLU 99 Cb -0.27 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 30.84 3bws s GLU 99 CO 0.23 0.08 0.95 0.42 -0.54 0.00 0.00 175.26 176.40 3bws s ILE 100 N -0.04 4.40 -0.46 -3.70 1.01 -0.60 -4.97 121.20 116.83 3bws s ILE 100 Ca 0.50 0.56 -0.11 0.00 0.00 0.00 0.00 60.65 61.60 3bws s ILE 100 Cb -0.28 -4.50 0.10 0.00 0.01 0.00 0.00 42.46 37.79 3bws s ILE 100 CO 0.33 -1.00 0.34 -0.70 0.00 0.00 0.00 174.94 173.91 3bws s GLU 101 N 3.94 2.64 0.03 2.79 2.12 -1.26 -0.81 118.70 128.15 3bws s GLU 101 Ca 0.35 -1.60 -0.30 0.00 0.36 0.00 0.00 54.97 53.77 3bws s GLU 101 Cb -0.11 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 3bws s GLU 101 CO 0.23 -1.11 1.06 -0.51 -0.54 0.00 0.00 175.26 174.40 3bws s LEU 102 N 1.45 4.37 -0.28 2.70 1.43 0.34 -4.51 118.68 124.18 3bws s LEU 102 Ca 0.04 1.80 -0.05 0.00 -1.03 0.00 0.00 54.13 54.89 3bws s LEU 102 Cb -0.25 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.41 3bws s LEU 102 CO 0.02 -0.33 0.04 -0.54 0.23 0.00 0.00 176.35 175.76 3bws s LYS 103 N 0.99 2.98 -0.11 1.70 1.02 0.11 0.44 119.74 126.88 3bws s LYS 103 Ca 0.54 -0.91 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 3bws s LYS 103 Cb -0.24 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 3bws s LYS 103 CO 0.29 -0.44 0.04 -0.51 -0.92 0.00 0.00 175.35 173.80 3bws s LEU 104 N 1.44 3.76 -0.05 3.17 1.02 0.67 -1.15 118.68 127.54 3bws s LEU 104 Ca 0.01 0.19 -0.14 0.00 0.02 0.00 0.00 54.13 54.21 3bws s LEU 104 Cb -0.17 -1.88 0.03 0.00 0.02 0.00 0.00 46.19 44.18 3bws s LEU 104 CO 0.00 0.35 0.33 -0.94 0.02 0.00 0.00 176.35 176.12 3bws s SER 105 N -0.72 -0.25 -0.23 2.29 1.04 -0.82 -1.65 113.70 113.37 3bws s SER 105 Ca 0.12 0.28 -0.26 0.00 0.48 0.00 0.00 55.95 56.57 3bws s SER 105 Cb -0.12 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.51 3bws s SER 105 CO 0.02 -0.36 0.72 -0.55 0.98 0.00 0.00 173.24 174.06 3bws s SER 106 N -0.88 -0.73 0.15 7.02 0.15 -1.26 -1.16 113.70 116.99 3bws s SER 106 Ca -0.10 1.32 -0.34 0.00 0.70 0.00 0.00 55.95 57.53 3bws s SER 106 Cb -0.04 1.30 -0.14 0.00 -1.71 0.00 0.00 66.02 65.43 3bws s SER 106 CO 0.03 -0.31 1.50 -2.65 1.20 0.00 0.00 173.24 173.01 3bws n PRO 107 N 2.38 1.90 -1.00 5.44 -0.02 -1.26 -1.35 135.00 141.08 3bws n PRO 107 Ca -0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3bws n PRO 107 Cb 0.55 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3bws n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bws n GLY 108 N 3.08 0.60 3.25 -1.23 0.00 -1.26 -5.03 105.19 104.60 3bws n GLY 108 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3bws n GLY 108 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bws s PHE 109 N -2.43 1.68 0.48 1.61 0.08 -0.46 -1.46 117.98 117.48 3bws s PHE 109 Ca 0.00 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.43 3bws s PHE 109 Cb 0.00 -0.96 -0.07 0.00 -0.57 0.00 0.00 43.02 41.42 3bws s PHE 109 CO 0.00 0.14 1.16 -0.65 -0.10 0.00 0.00 175.22 175.77 3bws s GLN 110 N -1.57 3.67 0.30 0.44 -0.21 0.12 -4.52 119.66 117.90 3bws s GLN 110 Ca 0.05 1.75 -0.29 0.00 0.02 0.00 0.00 55.36 56.89 3bws s GLN 110 Cb -0.09 -2.33 -0.10 0.00 1.00 0.00 0.00 33.01 31.49 3bws s GLN 110 CO 0.03 -0.62 1.40 -0.80 -2.12 0.00 0.00 175.29 173.19 3bws s ASN 111 N -1.44 6.65 0.03 5.90 0.01 -1.26 -4.45 114.94 120.37 3bws s ASN 111 Ca 0.65 2.73 0.08 0.00 -0.71 0.00 0.00 52.86 55.62 3bws s ASN 111 Cb -0.28 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.72 3bws s ASN 111 CO 0.33 -0.67 -0.24 -0.44 -1.51 0.00 0.00 177.10 174.57 3bws s SER 112 N -0.00 3.33 -0.16 -1.22 0.01 -0.66 -4.99 113.70 110.01 3bws s SER 112 Ca 0.55 -0.51 -0.06 0.00 1.31 0.00 0.00 55.95 57.24 3bws s SER 112 Cb -0.42 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 3bws s SER 112 CO 0.49 0.27 0.03 -0.44 0.41 0.00 0.00 173.24 174.01 3bws s SER 113 N -1.14 5.35 -0.28 2.44 0.01 -1.26 -0.24 113.70 118.58 3bws s SER 113 Ca 0.12 0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.43 3bws s SER 113 Cb -0.10 -1.85 0.06 0.00 0.21 0.00 0.00 66.02 64.34 3bws s SER 113 CO 0.02 0.21 -0.05 -0.47 0.41 0.00 0.00 173.24 173.35 3bws s TYR 114 N 0.17 3.33 -0.18 2.43 5.04 0.17 -4.95 117.35 123.36 3bws s TYR 114 Ca 0.02 -2.26 -0.12 0.00 -2.44 0.00 0.00 57.07 52.27 3bws s TYR 114 Cb -0.13 -2.13 -0.05 0.00 0.35 0.00 0.00 41.96 40.01 3bws s TYR 114 CO 0.01 -0.87 0.21 1.03 -1.34 0.00 0.00 175.55 174.59 3bws s ARG 115 N 1.13 4.20 0.03 4.97 0.52 -1.26 -0.51 118.95 128.03 3bws s ARG 115 Ca -0.05 -0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 3bws s ARG 115 Cb -0.20 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 3bws s ARG 115 CO -0.04 0.29 -0.08 0.96 0.02 0.00 0.00 175.30 176.45 3bws s ILE 116 N 0.36 0.55 0.09 1.52 -4.36 0.01 -5.01 121.20 114.37 3bws s ILE 116 Ca 0.12 -0.91 -0.05 0.00 -0.26 0.00 0.00 60.65 59.55 3bws s ILE 116 Cb -0.12 -0.59 -0.25 0.00 1.25 0.00 0.00 42.46 42.75 3bws s ILE 116 CO 0.01 -0.26 1.19 -0.09 0.24 0.00 0.00 174.94 176.03 3bws h ARG 117 N 4.82 0.33 -3.81 0.37 2.43 -1.94 -1.59 114.38 114.99 3bws h ARG 117 Ca -0.34 -0.48 -0.18 0.00 -0.81 0.00 0.00 59.98 58.17 3bws h ARG 117 Cb 1.20 0.17 -0.22 0.00 -0.42 0.00 0.00 29.97 30.69 3bws h ARG 117 CO 0.43 1.19 -0.65 0.15 -1.51 0.00 0.00 179.97 179.58 3bws s LYS 118 N -2.87 0.29 0.19 0.20 1.02 -1.26 -4.70 119.74 112.61 3bws s LYS 118 Ca -0.05 -0.42 -0.18 0.00 0.02 0.00 0.00 55.97 55.34 3bws s LYS 118 Cb 0.08 0.11 0.17 0.00 -0.52 0.00 0.00 37.83 37.66 3bws s LYS 118 CO 0.88 -0.05 1.60 -1.35 -0.92 0.00 0.00 175.35 175.51 3bws h PRO 119 N 4.88 -0.11 -1.20 -1.68 0.11 -1.91 -2.08 132.00 130.01 3bws h PRO 119 Ca -0.30 0.01 0.45 0.00 0.11 0.00 0.00 66.00 66.26 3bws h PRO 119 Cb 1.21 0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.18 3bws h PRO 119 CO 0.42 -0.07 0.72 0.93 -0.21 0.00 0.00 178.00 179.80 3bws h GLU 120 N -0.11 0.02 -0.26 1.05 3.07 -1.96 -0.50 114.58 115.89 3bws h GLU 120 Ca 0.26 -0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.19 3bws h GLU 120 Cb 0.52 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3bws h GLU 120 CO -0.65 0.01 0.31 0.93 -1.40 0.00 0.00 179.01 178.20 3bws h GLU 121 N 0.02 0.00 0.00 2.33 5.08 -1.81 -1.87 114.58 118.33 3bws h GLU 121 Ca 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.22 3bws h GLU 121 Cb 2.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.79 3bws h GLU 121 CO -0.60 0.00 -0.57 1.25 -1.00 0.00 0.00 179.01 178.09 3bws h LEU 122 N 0.00 0.00 -9.44 1.33 5.85 -1.27 -3.45 115.31 108.33 3bws h LEU 122 Ca 0.12 -0.03 -0.62 0.00 0.84 0.00 0.00 57.88 58.19 3bws h LEU 122 Cb 0.73 0.00 0.07 0.00 0.37 0.00 0.00 40.66 41.83 3bws h LEU 122 CO -0.00 0.02 0.57 0.59 -0.34 0.00 0.00 178.44 179.28 3bws n ASN 123 N -2.69 2.33 -0.12 1.25 3.02 -0.70 -1.62 115.26 116.72 3bws n ASN 123 Ca 0.02 1.12 -0.02 0.00 -0.03 0.00 0.00 54.58 55.67 3bws n ASN 123 Cb 0.52 -1.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.35 3bws n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bws n GLU 124 N 2.54 -1.33 -2.18 3.52 1.02 0.35 -4.99 120.64 119.57 3bws n GLU 124 Ca 0.16 0.42 -0.31 0.00 -0.02 0.00 0.00 57.16 57.40 3bws n GLU 124 Cb 0.26 -4.45 -0.01 0.00 -0.02 0.00 0.00 31.44 27.22 3bws n GLU 124 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3bws s LYS 125 N -1.58 3.72 -0.18 3.49 -0.14 -0.64 -4.87 119.74 119.54 3bws s LYS 125 Ca 0.00 0.75 -0.02 0.00 -1.36 0.00 0.00 55.97 55.34 3bws s LYS 125 Cb 0.00 -2.15 -0.01 0.00 -1.68 0.00 0.00 37.83 33.99 3bws s LYS 125 CO 0.00 -0.40 -0.09 -1.17 -0.76 0.00 0.00 175.35 172.93 3bws s LEU 126 N -4.68 2.76 -0.36 3.17 2.96 -1.26 -0.13 118.68 121.15 3bws s LEU 126 Ca 0.55 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.94 3bws s LEU 126 Cb -0.11 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3bws s LEU 126 CO 0.44 0.05 0.25 -0.63 -1.32 0.00 0.00 176.35 175.14 3bws s ILE 127 N 1.04 5.20 -0.18 6.68 1.01 0.01 -4.65 121.20 130.31 3bws s ILE 127 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.27 3bws s ILE 127 Cb -0.15 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3bws s ILE 127 CO -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 174.94 174.75 3bws s ALA 128 N 1.70 2.70 0.49 9.38 0.00 -1.26 -1.29 121.76 133.47 3bws s ALA 128 Ca 0.06 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 3bws s ALA 128 Cb -0.18 -1.46 -0.09 0.00 0.00 0.00 0.00 23.12 21.39 3bws s ALA 128 CO 0.10 -0.15 0.99 -0.51 0.00 0.00 0.00 175.76 176.18 3bws s LEU 129 N 1.01 3.76 -0.13 0.00 1.43 -0.17 -4.68 118.68 119.89 3bws s LEU 129 Ca -0.01 1.69 -0.18 0.00 -1.03 0.00 0.00 54.13 54.60 3bws s LEU 129 Cb -0.15 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 3bws s LEU 129 CO -0.01 -0.59 0.49 -1.81 0.23 0.00 0.00 176.35 174.66 3bws s ASP 130 N -2.54 6.66 0.43 2.29 1.01 -1.26 -4.83 116.67 118.43 3bws s ASP 130 Ca 0.62 0.79 -0.26 0.00 0.71 0.00 0.00 52.55 54.41 3bws s ASP 130 Cb -0.11 -2.29 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 3bws s ASP 130 CO 0.23 -0.04 1.41 1.17 0.21 0.00 0.00 175.17 178.15 3bws n LYS 131 N 3.91 2.25 -1.69 8.23 4.81 -1.26 0.14 118.16 134.55 3bws n LYS 131 Ca -0.06 0.80 -0.44 0.00 -0.87 0.00 0.00 58.31 57.74 3bws n LYS 131 Cb 0.51 -2.59 -0.02 0.00 0.02 0.00 0.00 35.03 32.96 3bws n LYS 131 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3bws n GLU 132 N -0.06 2.19 -0.04 1.64 1.02 -0.53 -2.54 120.64 122.32 3bws n GLU 132 Ca 0.05 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 3bws n GLU 132 Cb 0.41 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 3bws n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bws n GLY 133 N 1.93 2.02 3.84 0.62 0.00 -1.26 -5.01 105.19 107.33 3bws n GLY 133 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3bws n GLY 133 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bws s ILE 134 N -2.73 4.51 -0.52 -0.61 -4.36 -1.05 -4.98 121.20 111.45 3bws s ILE 134 Ca 0.00 1.26 0.11 0.00 -0.26 0.00 0.00 60.65 61.76 3bws s ILE 134 Cb 0.00 -3.67 0.31 0.00 1.25 0.00 0.00 42.46 40.35 3bws s ILE 134 CO 0.00 -0.53 1.25 0.35 0.24 0.00 0.00 174.94 176.25 3bws n THR 135 N -1.18 1.39 -4.44 8.37 -2.24 -1.26 -4.90 114.28 110.02 3bws n THR 135 Ca 0.06 -1.32 -0.32 0.00 -2.27 0.00 0.00 64.05 60.20 3bws n THR 135 Cb 0.54 0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.86 3bws n THR 135 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3bws s HIS 136 N -1.60 2.67 -0.10 4.78 3.76 -1.26 -0.90 115.29 122.63 3bws s HIS 136 Ca 0.25 -1.44 -0.00 0.00 -0.15 0.00 0.00 55.06 53.71 3bws s HIS 136 Cb 0.17 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 3bws s HIS 136 CO 0.10 -0.68 -0.07 1.03 -0.85 0.00 0.00 174.74 174.27 3bws s ARG 137 N 1.01 3.05 0.16 1.40 0.52 -0.32 -4.83 118.95 119.94 3bws s ARG 137 Ca -0.02 -0.56 -0.31 0.00 -0.52 0.00 0.00 55.73 54.31 3bws s ARG 137 Cb -0.14 -2.67 -0.10 0.00 0.52 0.00 0.00 34.95 32.55 3bws s ARG 137 CO -0.06 0.50 1.68 0.12 0.02 0.00 0.00 175.30 177.56 3bws s PHE 138 N -0.37 2.73 -0.15 -0.53 5.36 -1.26 -0.99 117.98 122.76 3bws s PHE 138 Ca 0.05 0.36 -0.15 0.00 -0.96 0.00 0.00 56.93 56.23 3bws s PHE 138 Cb -0.12 -4.05 -0.06 0.00 -0.34 0.00 0.00 43.02 38.45 3bws s PHE 138 CO 0.02 -4.06 -0.30 -0.89 -1.46 0.00 0.00 175.22 168.53 3bws n ILE 139 N 4.25 1.44 -3.68 3.12 2.08 0.11 -4.91 119.36 121.76 3bws n ILE 139 Ca 0.16 0.10 -0.10 0.00 0.56 0.00 0.00 62.75 63.47 3bws n ILE 139 Cb 0.38 -2.18 -0.05 0.00 -0.75 0.00 0.00 39.64 37.04 3bws n ILE 139 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 3bws s SER 140 N -6.11 -0.16 -0.10 4.38 0.01 -1.17 -5.00 113.70 105.56 3bws s SER 140 Ca -0.26 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.62 3bws s SER 140 Cb 0.05 0.44 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 3bws s SER 140 CO 0.38 -0.82 -0.14 -0.60 0.41 0.00 0.00 173.24 172.47 3bws s ARG 141 N -3.80 3.01 -0.09 12.44 3.00 -1.26 -0.18 118.95 132.07 3bws s ARG 141 Ca 0.03 -0.69 0.03 0.00 -1.00 0.00 0.00 55.73 54.10 3bws s ARG 141 Cb 0.02 -2.52 0.01 0.00 0.00 0.00 0.00 34.95 32.46 3bws s ARG 141 CO -0.12 0.39 -0.16 -0.06 0.00 0.00 0.00 175.30 175.35 3bws s PHE 142 N -0.10 1.88 0.28 5.12 0.40 -0.60 -4.88 117.98 120.08 3bws s PHE 142 Ca -0.02 -0.77 -0.29 0.00 -0.60 0.00 0.00 56.93 55.25 3bws s PHE 142 Cb -0.14 -1.33 -0.10 0.00 0.51 0.00 0.00 43.02 41.97 3bws s PHE 142 CO 0.04 -0.37 1.24 0.15 0.70 0.00 0.00 175.22 176.97 3bws s LYS 143 N 0.67 4.46 0.33 0.44 -0.14 -1.26 -0.81 119.74 123.42 3bws s LYS 143 Ca -0.14 2.04 0.01 0.00 -1.36 0.00 0.00 55.97 56.52 3bws s LYS 143 Cb -0.16 -3.14 0.01 0.00 -1.68 0.00 0.00 37.83 32.86 3bws s LYS 143 CO 0.04 -0.07 0.08 0.25 -0.76 0.00 0.00 175.35 174.88 3bws n THR 144 N 1.39 0.00 -0.70 2.17 -2.24 0.07 -4.90 114.28 110.06 3bws n THR 144 Ca 0.01 -1.46 -0.09 0.00 -2.27 0.00 0.00 64.05 60.24 3bws n THR 144 Cb 0.43 0.14 0.07 0.00 -2.10 0.00 0.00 70.33 68.88 3bws n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bws n GLY 145 N 1.09 -2.46 3.71 3.38 0.00 -1.26 -4.72 105.19 104.94 3bws n GLY 145 Ca -0.10 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3bws n GLY 145 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bws s PHE 146 N -1.61 3.55 -0.79 1.61 0.08 -1.26 -4.18 117.98 115.39 3bws s PHE 146 Ca 0.21 1.49 -0.01 0.00 0.12 0.00 0.00 56.93 58.74 3bws s PHE 146 Cb -0.02 -3.28 -0.00 0.00 -0.57 0.00 0.00 43.02 39.15 3bws s PHE 146 CO 0.16 -0.69 0.69 1.04 -0.10 0.00 0.00 175.22 176.32 3bws n GLN 147 N 3.74 -1.40 -1.96 0.44 6.02 -1.25 -2.19 117.38 120.77 3bws n GLN 147 Ca 0.07 1.27 -0.42 0.00 -0.01 0.00 0.00 57.00 57.91 3bws n GLN 147 Cb 0.48 -4.94 -0.03 0.00 1.02 0.00 0.00 30.24 26.77 3bws n GLN 147 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3bws s PRO 148 N -3.60 3.19 0.01 -1.09 0.04 -1.26 0.38 135.00 132.68 3bws s PRO 148 Ca 0.04 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.48 3bws s PRO 148 Cb -0.01 -4.25 -0.25 0.00 0.04 0.00 0.00 34.50 30.04 3bws s PRO 148 CO 0.79 -2.03 0.88 -0.22 0.04 0.00 0.00 177.00 176.46 3bws h LYS 149 N 13.51 0.12 -3.77 4.56 1.63 -1.47 -3.41 116.57 127.74 3bws h LYS 149 Ca -0.33 -0.20 -0.09 0.00 -0.85 0.00 0.00 60.65 59.18 3bws h LYS 149 Cb 1.18 0.08 -0.13 0.00 -0.60 0.00 0.00 32.23 32.76 3bws h LYS 149 CO 1.05 0.91 -0.27 -1.54 -3.45 0.00 0.00 179.45 176.15 3bws s SER 150 N -6.66 0.00 0.04 4.20 1.04 -1.25 -3.50 113.70 107.57 3bws s SER 150 Ca -0.06 -0.74 0.02 0.00 0.48 0.00 0.00 55.95 55.65 3bws s SER 150 Cb 0.08 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 3bws s SER 150 CO 0.83 -0.87 -0.08 0.68 0.98 0.00 0.00 173.24 174.78 3bws s VAL 151 N -3.92 0.57 -0.15 5.02 -7.23 -1.26 -3.78 120.40 109.65 3bws s VAL 151 Ca 0.13 -0.96 -0.07 0.00 -1.81 0.00 0.00 61.98 59.27 3bws s VAL 151 Cb 0.03 -0.61 0.06 0.00 0.56 0.00 0.00 36.38 36.43 3bws s VAL 151 CO -0.03 -0.28 0.35 -0.60 -0.31 0.00 0.00 175.10 174.22 3bws s ARG 152 N -1.35 0.29 0.03 4.82 3.52 -0.81 -4.33 118.95 121.11 3bws s ARG 152 Ca -0.07 0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 56.00 3bws s ARG 152 Cb -0.09 0.03 -0.06 0.00 -1.56 0.00 0.00 34.95 33.27 3bws s ARG 152 CO 0.00 -0.21 1.48 -0.06 -0.81 0.00 0.00 175.30 175.71 3bws s PHE 153 N 1.84 2.72 -0.64 5.12 0.40 -1.26 -0.42 117.98 125.74 3bws s PHE 153 Ca -0.06 0.66 0.23 0.00 -0.60 0.00 0.00 56.93 57.16 3bws s PHE 153 Cb -0.10 -3.76 -0.02 0.00 0.51 0.00 0.00 43.02 39.65 3bws s PHE 153 CO -0.11 -2.91 0.97 0.44 0.70 0.00 0.00 175.22 174.31 3bws n ILE 154 N 4.66 0.11 -1.74 0.64 -5.35 -0.01 -4.94 119.36 112.74 3bws n ILE 154 Ca 0.14 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3bws n ILE 154 Cb 0.43 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 3bws n ILE 154 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3bws n ASP 155 N -1.89 0.00 0.27 7.28 5.68 -1.24 -5.00 116.55 121.65 3bws n ASP 155 Ca 0.02 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.44 3bws n ASP 155 Cb 0.43 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.17 3bws n ASP 155 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3bws h ASN 156 N 0.00 0.00 0.00 -1.12 2.35 -1.98 -3.35 115.58 111.48 3bws h ASN 156 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bws h ASN 156 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3bws h ASN 156 CO 0.00 0.09 0.00 0.35 -1.65 0.00 0.00 177.43 176.22 3bws n THR 157 N -3.77 0.00 -4.76 2.81 -2.24 -1.26 -4.80 114.28 100.26 3bws n THR 157 Ca -0.02 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 3bws n THR 157 Cb 0.19 1.30 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 3bws n THR 157 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3bws s ARG 158 N -0.14 2.43 0.01 -0.78 0.52 -1.26 -0.47 118.95 119.27 3bws s ARG 158 Ca 0.00 -0.75 0.08 0.00 -0.52 0.00 0.00 55.73 54.53 3bws s ARG 158 Cb 0.00 -2.37 -0.02 0.00 0.52 0.00 0.00 34.95 33.08 3bws s ARG 158 CO 0.00 0.61 -0.23 -0.51 0.02 0.00 0.00 175.30 175.18 3bws s LEU 159 N -0.99 2.10 -0.23 2.53 1.43 0.32 -0.83 118.68 123.01 3bws s LEU 159 Ca 0.13 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 3bws s LEU 159 Cb -0.11 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 3bws s LEU 159 CO 0.03 0.25 0.14 0.00 0.23 0.00 0.00 176.35 176.99 3bws s ALA 160 N -0.66 3.53 -0.39 4.21 0.00 0.43 -1.05 121.76 127.84 3bws s ALA 160 Ca 0.09 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3bws s ALA 160 Cb -0.09 -2.25 0.12 0.00 0.00 0.00 0.00 23.12 20.90 3bws s ALA 160 CO 0.00 -0.19 0.19 0.42 0.00 0.00 0.00 175.76 176.18 3bws s ILE 161 N 1.06 1.13 0.44 0.00 1.01 0.58 -1.93 121.20 123.48 3bws s ILE 161 Ca 0.07 -2.10 -0.26 0.00 0.00 0.00 0.00 60.65 58.36 3bws s ILE 161 Cb -0.14 -1.81 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 3bws s ILE 161 CO 0.04 -0.83 1.42 -2.84 0.00 0.00 0.00 174.94 172.73 3bws s PRO 162 N 0.83 3.77 -0.26 2.79 0.02 -1.25 -0.22 135.00 140.69 3bws s PRO 162 Ca 0.15 2.40 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 3bws s PRO 162 Cb -0.22 -2.71 0.02 0.00 0.02 0.00 0.00 34.50 31.62 3bws s PRO 162 CO -0.08 -0.74 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.31 3bws s LEU 163 N -2.61 3.32 0.34 -5.54 1.43 -0.73 -1.33 118.68 113.57 3bws s LEU 163 Ca 0.59 -0.86 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 3bws s LEU 163 Cb -0.43 -1.70 0.61 0.00 0.03 0.00 0.00 46.19 44.70 3bws s LEU 163 CO 0.56 -0.14 1.80 0.25 0.23 0.00 0.00 176.35 179.05 3bws h LEU 164 N 8.05 0.24 -3.57 1.79 5.85 0.00 -2.66 115.31 125.01 3bws h LEU 164 Ca -0.32 -0.07 -0.40 0.00 0.84 0.00 0.00 57.88 57.93 3bws h LEU 164 Cb 1.11 -0.06 -0.31 0.00 0.37 0.00 0.00 40.66 41.76 3bws h LEU 164 CO 0.58 0.52 -0.74 -0.62 -0.34 0.00 0.00 178.44 177.83 3bws n GLU 165 N -4.14 3.04 -4.15 1.25 1.02 -0.93 0.02 120.64 116.75 3bws n GLU 165 Ca -0.01 -3.92 -0.14 0.00 -0.02 0.00 0.00 57.16 53.07 3bws n GLU 165 Cb 0.38 -2.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.64 3bws n GLU 165 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3bws s ASP 166 N -3.50 0.60 -0.25 1.62 -1.08 -1.16 -4.56 116.67 108.35 3bws s ASP 166 Ca 0.47 -1.40 0.01 0.00 -0.52 0.00 0.00 52.55 51.11 3bws s ASP 166 Cb 0.40 0.52 0.29 0.00 -1.46 0.00 0.00 42.92 42.67 3bws s ASP 166 CO 0.01 -1.05 1.61 -0.62 0.52 0.00 0.00 175.17 175.64 3bws n GLU 167 N -0.43 1.66 0.00 4.34 1.02 -1.26 -4.25 120.64 121.71 3bws n GLU 167 Ca 0.02 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.68 3bws n GLU 167 Cb 0.63 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3bws n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bws n GLY 168 N -0.10 -0.88 3.09 0.62 0.00 -1.26 -4.56 105.19 102.10 3bws n GLY 168 Ca 0.29 0.31 -0.22 0.00 0.00 0.00 0.00 46.02 46.41 3bws n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bws s ASP 170 N -4.00 1.56 -0.23 1.61 1.01 0.69 -1.77 116.67 115.55 3bws s ASP 170 Ca 0.00 -0.24 -0.03 0.00 0.71 0.00 0.00 52.55 52.99 3bws s ASP 170 Cb 0.00 -0.19 0.01 0.00 1.01 0.00 0.00 42.92 43.74 3bws s ASP 170 CO 0.00 0.16 -0.06 -0.69 0.21 0.00 0.00 175.17 174.79 3bws s VAL 171 N -0.28 3.12 -0.07 -1.27 1.01 0.52 -0.31 120.40 123.12 3bws s VAL 171 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3bws s VAL 171 Cb -0.05 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3bws s VAL 171 CO -0.00 0.36 -0.09 -0.22 0.00 0.00 0.00 175.10 175.14 3bws s LEU 172 N 1.42 1.44 -0.21 3.92 0.20 -0.21 -1.60 118.68 123.62 3bws s LEU 172 Ca 0.04 -0.26 -0.22 0.00 0.69 0.00 0.00 54.13 54.38 3bws s LEU 172 Cb -0.15 -0.75 -0.02 0.00 -0.43 0.00 0.00 46.19 44.84 3bws s LEU 172 CO -0.04 -0.03 0.71 -0.62 -0.29 0.00 0.00 176.35 176.07 3bws s ASP 173 N 1.02 6.74 0.02 3.68 -1.08 0.13 -0.52 116.67 126.67 3bws s ASP 173 Ca -0.08 0.91 0.28 0.00 -0.52 0.00 0.00 52.55 53.14 3bws s ASP 173 Cb -0.15 -2.38 1.09 0.00 -1.46 0.00 0.00 42.92 40.03 3bws s ASP 173 CO -0.00 -0.37 1.84 2.30 0.52 0.00 0.00 175.17 179.46 3bws n ILE 174 N 4.92 0.07 -0.06 4.11 -5.35 0.39 -0.07 119.36 123.38 3bws n ILE 174 Ca 0.01 -0.03 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 3bws n ILE 174 Cb 0.49 -0.41 -0.07 0.00 -1.74 0.00 0.00 39.64 37.91 3bws n ILE 174 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3bws h ASN 175 N 0.00 0.41 0.00 7.28 2.35 -1.93 -3.40 115.58 120.28 3bws h ASN 175 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3bws h ASN 175 Cb 0.53 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3bws h ASN 175 CO 0.00 0.80 -0.73 -1.54 -1.65 0.00 0.00 177.43 174.32 3bws n SER 176 N -4.54 2.58 0.00 5.81 3.41 -1.18 -5.00 113.62 114.70 3bws n SER 176 Ca -0.06 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3bws n SER 176 Cb 0.37 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 3bws n SER 176 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bws n GLY 177 N 1.81 0.44 3.70 5.00 0.00 0.90 -5.00 105.19 112.04 3bws n GLY 177 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3bws n GLY 177 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bws s GLN 178 N -0.36 4.18 0.11 1.61 0.74 -1.22 -4.76 119.66 119.96 3bws s GLN 178 Ca 0.00 2.43 0.07 0.00 0.05 0.00 0.00 55.36 57.92 3bws s GLN 178 Cb 0.00 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 3bws s GLN 178 CO 0.00 -0.72 -0.19 -0.08 -0.55 0.00 0.00 175.29 173.75 3bws s THR 179 N 2.03 1.57 -0.08 -0.34 -1.32 -1.26 -0.69 115.64 115.56 3bws s THR 179 Ca 0.74 -1.56 -0.10 0.00 -1.21 0.00 0.00 61.69 59.56 3bws s THR 179 Cb -0.44 -1.50 0.02 0.00 -1.51 0.00 0.00 72.50 69.08 3bws s THR 179 CO 0.33 -0.16 0.27 0.54 -2.21 0.00 0.00 174.62 173.39 3bws s VAL 180 N -1.40 0.02 -0.22 5.08 0.11 -0.63 -4.97 120.40 118.38 3bws s VAL 180 Ca 0.06 -0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 58.83 3bws s VAL 180 Cb -0.09 -0.44 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 3bws s VAL 180 CO 0.04 -0.09 0.19 -0.60 -3.33 0.00 0.00 175.10 171.31 3bws s ARG 181 N -0.30 4.12 -0.20 1.54 6.06 -1.26 -0.35 118.95 128.55 3bws s ARG 181 Ca -0.04 -0.18 -0.05 0.00 -2.50 0.00 0.00 55.73 52.95 3bws s ARG 181 Cb -0.03 -3.50 -0.02 0.00 0.06 0.00 0.00 34.95 31.45 3bws s ARG 181 CO 0.01 0.12 -0.00 -0.51 -2.50 0.00 0.00 175.30 172.42 3bws s LEU 182 N 0.88 3.24 0.04 -0.88 1.02 -1.26 -5.00 118.68 116.72 3bws s LEU 182 Ca 0.09 -0.21 0.05 0.00 0.02 0.00 0.00 54.13 54.08 3bws s LEU 182 Cb -0.13 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.24 3bws s LEU 182 CO 0.03 0.06 -0.14 -0.44 0.02 0.00 0.00 176.35 175.88 3bws s SER 183 N 1.02 1.70 0.86 2.29 0.01 -1.26 -4.41 113.70 113.91 3bws s SER 183 Ca 0.02 -0.45 -0.13 0.00 1.31 0.00 0.00 55.95 56.70 3bws s SER 183 Cb -0.14 -0.11 0.14 0.00 0.21 0.00 0.00 66.02 66.11 3bws s SER 183 CO 0.02 0.04 1.22 -2.16 0.41 0.00 0.00 173.24 172.76 3bws s PRO 184 N -1.12 1.35 0.71 12.44 0.04 -1.26 -4.74 135.00 142.42 3bws s PRO 184 Ca 0.02 -0.26 -0.16 0.00 0.04 0.00 0.00 61.00 60.64 3bws s PRO 184 Cb -0.08 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3bws s PRO 184 CO 0.01 -1.93 0.52 -2.30 0.04 0.00 0.00 177.00 173.33 3bws n PRO 185 N -3.45 0.31 -0.31 0.56 -0.02 -1.26 -4.30 135.00 126.53 3bws n PRO 185 Ca 0.12 0.14 0.16 0.00 -2.02 0.00 0.00 63.50 61.90 3bws n PRO 185 Cb 0.60 -1.81 0.34 0.00 -0.02 0.00 0.00 33.50 32.61 3bws n PRO 185 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bws h GLU 186 N -0.33 0.20 -0.35 -0.52 4.57 -1.98 0.27 114.58 116.44 3bws h GLU 186 Ca -0.45 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.75 3bws h GLU 186 Cb 1.35 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.88 3bws h GLU 186 CO 0.43 0.13 0.24 0.87 -1.18 0.00 0.00 179.01 179.49 3bws h LYS 187 N 0.20 0.30 0.00 1.92 6.56 -2.02 -2.54 116.57 121.00 3bws h LYS 187 Ca 0.61 -0.02 -0.13 0.00 -1.06 0.00 0.00 60.65 60.05 3bws h LYS 187 Cb 1.29 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.86 3bws h LYS 187 CO -0.68 0.20 -0.70 1.88 -2.06 0.00 0.00 179.45 178.09 3bws h TYR 188 N 0.31 0.00 -0.04 -1.35 0.05 -1.31 -3.41 116.97 111.23 3bws h TYR 188 Ca 0.15 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 3bws h TYR 188 Cb 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 3bws h TYR 188 CO -0.00 1.22 -0.08 1.57 -1.05 0.00 0.00 178.16 179.82 3bws h LYS 189 N -1.00 0.05 0.00 4.88 2.10 -1.04 -1.15 116.57 120.42 3bws h LYS 189 Ca -0.19 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 3bws h LYS 189 Cb 1.13 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3bws h LYS 189 CO -0.12 0.14 0.00 0.87 -2.00 0.00 0.00 179.45 178.34 3bws h LYS 190 N 0.05 0.00 0.00 0.07 1.79 -1.69 -2.63 116.57 114.16 3bws h LYS 190 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3bws h LYS 190 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3bws h LYS 190 CO 0.01 0.00 -0.17 1.63 -1.08 0.00 0.00 179.45 179.84 3bws n LYS 191 N -2.89 0.10 0.00 3.15 5.02 -0.43 -5.03 118.16 118.07 3bws n LYS 191 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3bws n LYS 191 Cb 0.19 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3bws n LYS 191 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bws n LEU 192 N -1.76 0.00 -2.52 -0.35 4.77 -0.99 -4.78 117.00 111.37 3bws n LEU 192 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 3bws n LEU 192 Cb 0.37 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3bws n LEU 192 CO 0.30 -0.23 0.11 0.61 -1.33 0.00 0.00 177.39 176.85 3bws n GLY 193 N 0.00 -0.04 3.73 -0.72 0.00 0.10 -4.37 105.19 103.89 3bws n GLY 193 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3bws n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bws s PHE 194 N -3.22 3.67 0.01 1.61 0.08 -1.01 -3.95 117.98 115.16 3bws s PHE 194 Ca 0.16 1.43 -0.00 0.00 0.12 0.00 0.00 56.93 58.64 3bws s PHE 194 Cb -0.07 -2.85 -0.00 0.00 -0.57 0.00 0.00 43.02 39.52 3bws s PHE 194 CO 0.46 0.17 -0.00 0.28 -0.10 0.00 0.00 175.22 176.03 3bws n VAL 195 N 3.28 0.13 -4.32 -0.44 0.31 -0.64 -3.09 118.33 113.57 3bws n VAL 195 Ca -0.01 0.08 -0.17 0.00 -0.01 0.00 0.00 64.34 64.23 3bws n VAL 195 Cb 0.51 -1.10 -0.10 0.00 -0.91 0.00 0.00 33.84 32.23 3bws n VAL 195 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3bws s GLU 196 N -1.11 1.31 0.19 5.55 0.41 -1.26 -3.77 118.70 120.02 3bws s GLU 196 Ca -0.00 -1.66 0.04 0.00 -0.41 0.00 0.00 54.97 52.93 3bws s GLU 196 Cb 0.00 -0.54 -0.05 0.00 -1.78 0.00 0.00 34.13 31.76 3bws s GLU 196 CO 0.00 -0.11 -0.04 0.95 -0.49 0.00 0.00 175.26 175.57 3bws s THR 197 N -3.47 1.05 0.04 3.63 -4.23 -1.26 -1.62 115.64 109.77 3bws s THR 197 Ca 0.28 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3bws s THR 197 Cb 0.06 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 3bws s THR 197 CO 0.08 -0.51 -0.11 0.27 -0.54 0.00 0.00 174.62 173.81 3bws s ILE 198 N -3.41 0.83 -0.16 2.99 -4.36 -0.67 -4.67 121.20 111.75 3bws s ILE 198 Ca 0.23 -0.95 -0.05 0.00 -0.26 0.00 0.00 60.65 59.62 3bws s ILE 198 Cb 0.04 -0.79 -0.03 0.00 1.25 0.00 0.00 42.46 42.93 3bws s ILE 198 CO 0.05 -0.13 0.01 -0.55 0.24 0.00 0.00 174.94 174.56 3bws s SER 199 N -1.20 5.18 -0.62 4.36 0.15 -1.26 -1.53 113.70 118.78 3bws s SER 199 Ca -0.02 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.66 3bws s SER 199 Cb -0.08 -1.83 0.20 0.00 -1.71 0.00 0.00 66.02 62.60 3bws s SER 199 CO 0.01 0.19 0.53 -0.38 1.20 0.00 0.00 173.24 174.80 3bws n ILE 200 N 3.38 1.17 0.19 6.45 5.41 0.29 -4.97 119.36 131.28 3bws n ILE 200 Ca -0.17 -4.65 0.03 0.00 1.00 0.00 0.00 62.75 58.95 3bws n ILE 200 Cb 0.52 -2.06 0.36 0.00 -0.71 0.00 0.00 39.64 37.76 3bws n ILE 200 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3bws h PRO 201 N 5.02 0.00 -0.04 0.38 0.13 -1.95 -0.96 132.00 134.58 3bws h PRO 201 Ca 0.18 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.32 3bws h PRO 201 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3bws h PRO 201 CO 0.67 0.37 0.05 1.05 -0.23 0.00 0.00 178.00 179.91 3bws h GLU 202 N 0.00 0.00 -0.02 0.86 4.11 -1.94 -1.05 114.58 116.55 3bws h GLU 202 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bws h GLU 202 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3bws h GLU 202 CO 0.05 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.85 3bws n HIS 203 N -3.63 0.03 -3.57 2.06 8.25 -0.79 -5.02 115.22 112.56 3bws n HIS 203 Ca -0.02 -0.64 -0.22 0.00 -0.26 0.00 0.00 57.72 56.57 3bws n HIS 203 Cb 0.14 -0.08 0.08 0.00 1.12 0.00 0.00 29.99 31.25 3bws n HIS 203 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bws n ASN 204 N -0.72 -5.03 -4.14 0.41 5.15 -0.40 -4.97 115.26 105.56 3bws n ASN 204 Ca 0.05 -0.58 -0.18 0.00 -0.60 0.00 0.00 54.58 53.27 3bws n ASN 204 Cb 0.37 -4.99 -0.12 0.00 -0.53 0.00 0.00 39.78 34.51 3bws n ASN 204 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3bws s GLU 205 N -6.06 0.79 -0.14 1.20 2.02 -0.75 -1.63 118.70 114.14 3bws s GLU 205 Ca 0.42 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.57 3bws s GLU 205 Cb -0.19 -0.76 0.03 0.00 0.10 0.00 0.00 34.13 33.31 3bws s GLU 205 CO 0.74 0.17 -0.07 -1.17 0.02 0.00 0.00 175.26 174.95 3bws s LEU 206 N -1.48 1.40 -0.10 1.80 2.96 -0.29 -0.54 118.68 122.43 3bws s LEU 206 Ca -0.02 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.40 3bws s LEU 206 Cb -0.09 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 3bws s LEU 206 CO 0.02 -0.14 0.01 0.26 -1.32 0.00 0.00 176.35 175.17 3bws s TRP 207 N 1.66 3.16 -0.04 5.38 0.52 -0.58 0.03 118.94 129.07 3bws s TRP 207 Ca 0.03 0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.30 3bws s TRP 207 Cb -0.14 -1.83 0.03 0.00 -1.15 0.00 0.00 33.47 30.38 3bws s TRP 207 CO -0.08 0.40 -0.01 0.54 0.02 0.00 0.00 176.95 177.82 3bws s VAL 208 N -0.67 0.28 0.40 4.03 0.11 0.04 -1.66 120.40 122.93 3bws s VAL 208 Ca 0.11 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.98 3bws s VAL 208 Cb -0.12 -0.37 -0.11 0.00 -1.53 0.00 0.00 36.38 34.25 3bws s VAL 208 CO 0.02 0.18 0.94 -0.94 -3.33 0.00 0.00 175.10 171.97 3bws s SER 209 N 1.12 7.02 0.32 3.54 1.04 -0.64 -0.38 113.70 125.71 3bws s SER 209 Ca -0.08 1.71 0.03 0.00 0.48 0.00 0.00 55.95 58.08 3bws s SER 209 Cb -0.14 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 3bws s SER 209 CO -0.02 -0.30 0.09 -1.58 0.98 0.00 0.00 173.24 172.42 3bws s GLN 210 N -2.95 1.64 0.00 4.02 0.74 0.01 -1.62 119.66 121.50 3bws s GLN 210 Ca 0.59 -1.93 0.00 0.00 0.05 0.00 0.00 55.36 54.07 3bws s GLN 210 Cb -0.11 -0.59 0.00 0.00 1.10 0.00 0.00 33.01 33.41 3bws s GLN 210 CO 0.15 -0.30 0.00 1.04 -0.55 0.00 0.00 175.29 175.63 3bws n GLN 212 N -0.67 0.00 0.00 1.67 1.13 -1.25 -2.46 117.38 115.80 3bws n GLN 212 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3bws n GLN 212 Cb 0.66 -0.36 0.00 0.00 0.11 0.00 0.00 30.24 30.65 3bws n GLN 212 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3bws n ALA 213 N 0.36 1.06 -4.14 -1.58 0.00 -1.26 -4.97 120.51 109.99 3bws n ALA 213 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.71 3bws n ALA 213 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3bws n ALA 213 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bws n ASN 214 N -0.08 -0.17 -4.19 0.00 5.03 -1.03 -4.82 115.26 109.99 3bws n ASN 214 Ca 0.00 -1.17 -0.11 0.00 0.87 0.00 0.00 54.58 54.17 3bws n ASN 214 Cb 0.31 -2.23 -0.10 0.00 -1.02 0.00 0.00 39.78 36.74 3bws n ASN 214 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3bws s ALA 215 N -4.12 1.09 -0.04 5.41 0.00 -1.03 -1.14 121.76 121.93 3bws s ALA 215 Ca 0.06 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3bws s ALA 215 Cb -0.03 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.81 3bws s ALA 215 CO 0.95 -0.40 -0.00 0.08 0.00 0.00 0.00 175.76 176.38 3bws s VAL 216 N -3.85 0.24 0.04 0.00 1.01 -0.47 -0.81 120.40 116.55 3bws s VAL 216 Ca 0.23 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.30 3bws s VAL 216 Cb 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 3bws s VAL 216 CO 0.02 0.18 0.12 -1.00 0.00 0.00 0.00 175.10 174.42 3bws s HIS 217 N 1.23 3.34 -0.10 5.22 3.76 0.48 -0.16 115.29 129.07 3bws s HIS 217 Ca -0.07 0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 3bws s HIS 217 Cb -0.13 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.84 3bws s HIS 217 CO -0.02 0.56 -0.23 0.08 -0.85 0.00 0.00 174.74 174.28 3bws s VAL 218 N -1.35 1.96 0.16 -0.90 1.01 0.11 -0.78 120.40 120.61 3bws s VAL 218 Ca 0.28 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.40 3bws s VAL 218 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3bws s VAL 218 CO 0.20 0.54 -0.20 -0.36 0.00 0.00 0.00 175.10 175.29 3bws s PHE 219 N 0.38 2.44 0.10 5.22 0.08 0.10 -0.20 117.98 126.10 3bws s PHE 219 Ca -0.18 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.25 3bws s PHE 219 Cb -0.18 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 40.97 3bws s PHE 219 CO 0.08 0.45 1.28 0.34 -0.10 0.00 0.00 175.22 177.27 3bws s ASP 220 N -2.50 6.97 0.32 1.36 -1.08 0.12 -1.14 116.67 120.73 3bws s ASP 220 Ca 0.20 2.17 0.17 0.00 -0.52 0.00 0.00 52.55 54.57 3bws s ASP 220 Cb -0.09 -2.59 0.38 0.00 -1.46 0.00 0.00 42.92 39.16 3bws s ASP 220 CO 0.11 -0.53 1.59 0.25 0.52 0.00 0.00 175.17 177.10 3bws h LEU 221 N 6.57 0.00 0.02 -1.34 5.85 -1.60 0.53 115.31 125.33 3bws h LEU 221 Ca -0.42 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.02 3bws h LEU 221 Cb 1.21 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 3bws h LEU 221 CO 0.82 0.46 -1.49 0.29 -0.34 0.00 0.00 178.44 178.18 3bws n LYS 222 N -3.38 0.59 0.10 1.25 5.02 -1.26 -4.45 118.16 116.04 3bws n LYS 222 Ca 0.01 0.50 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 3bws n LYS 222 Cb 0.63 -1.72 0.12 0.00 -0.02 0.00 0.00 35.03 34.03 3bws n LYS 222 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3bws h THR 223 N -0.85 0.00 -0.09 -0.18 1.35 -1.95 -3.47 112.91 107.72 3bws h THR 223 Ca -0.40 -0.76 -0.04 0.00 -0.55 0.00 0.00 66.41 64.66 3bws h THR 223 Cb 1.44 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 3bws h THR 223 CO -0.19 0.00 -0.03 0.18 -0.25 0.00 0.00 175.52 175.23 3bws n LEU 224 N -2.48 0.41 -4.78 3.87 4.77 0.18 -5.00 117.00 113.97 3bws n LEU 224 Ca 0.02 0.04 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 3bws n LEU 224 Cb 0.50 -1.79 -0.03 0.00 -2.33 0.00 0.00 43.42 39.76 3bws n LEU 224 CO 0.37 -0.64 0.76 0.00 -1.33 0.00 0.00 177.39 176.55 3bws s ALA 225 N -1.52 3.04 0.33 -1.18 0.00 -1.25 -4.68 121.76 116.49 3bws s ALA 225 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.43 3bws s ALA 225 Cb 0.00 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 3bws s ALA 225 CO 0.00 -0.34 1.50 -0.47 0.00 0.00 0.00 175.76 176.45 3bws s TYR 226 N -1.65 2.75 0.00 0.00 5.04 -1.26 0.15 117.35 122.38 3bws s TYR 226 Ca 0.60 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 56.28 3bws s TYR 226 Cb -0.23 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.10 3bws s TYR 226 CO 0.29 -3.02 0.00 1.17 -1.34 0.00 0.00 175.55 172.65 3bws n LYS 227 N 1.31 0.00 -3.67 4.97 4.81 0.72 -4.80 118.16 121.50 3bws n LYS 227 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.43 3bws n LYS 227 Cb 0.39 -0.53 -0.02 0.00 0.02 0.00 0.00 35.03 34.89 3bws n LYS 227 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bws s ALA 228 N -2.00 -1.73 -0.05 3.14 0.00 -0.94 -4.99 121.76 115.19 3bws s ALA 228 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.39 3bws s ALA 228 Cb 0.00 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3bws s ALA 228 CO 0.00 -0.93 -0.05 0.99 0.00 0.00 0.00 175.76 175.77 3bws s THR 229 N -3.20 0.59 -0.35 0.00 2.01 -1.26 0.04 115.64 113.47 3bws s THR 229 Ca 0.10 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 3bws s THR 229 Cb -0.01 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 3bws s THR 229 CO -0.02 0.24 0.37 -0.69 -0.69 0.00 0.00 174.62 173.84 3bws s VAL 230 N 0.96 5.16 -0.27 3.82 1.01 0.77 -4.97 120.40 126.89 3bws s VAL 230 Ca -0.10 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.69 3bws s VAL 230 Cb -0.14 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3bws s VAL 230 CO 0.00 -0.11 0.77 -1.81 0.00 0.00 0.00 175.10 173.95 3bws s ASP 231 N 1.74 6.72 0.37 3.32 1.01 -1.26 -1.36 116.67 127.20 3bws s ASP 231 Ca 0.12 0.83 -0.04 0.00 0.71 0.00 0.00 52.55 54.18 3bws s ASP 231 Cb -0.17 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3bws s ASP 231 CO 0.12 -0.52 0.63 -0.76 0.21 0.00 0.00 175.17 174.85 3bws s LEU 232 N 2.81 3.91 0.00 1.23 1.43 -0.29 -4.72 118.68 123.04 3bws s LEU 232 Ca 0.32 0.72 0.24 0.00 -1.03 0.00 0.00 54.13 54.37 3bws s LEU 232 Cb -0.15 -3.59 0.17 0.00 0.03 0.00 0.00 46.19 42.65 3bws s LEU 232 CO 0.09 -0.35 1.21 0.35 0.23 0.00 0.00 176.35 177.88 3bws n THR 233 N -1.61 0.00 -2.12 5.49 -2.24 -1.26 -4.90 114.28 107.64 3bws n THR 233 Ca -0.02 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 3bws n THR 233 Cb 0.55 1.14 0.09 0.00 -2.10 0.00 0.00 70.33 70.01 3bws n THR 233 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bws n GLY 234 N 1.39 -0.09 3.02 3.38 0.00 -1.26 -5.09 105.19 106.53 3bws n GLY 234 Ca 0.11 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 3bws n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bws s LYS 235 N -4.30 1.49 -0.59 1.61 -0.14 -1.26 -4.86 119.74 111.70 3bws s LYS 235 Ca 0.42 -0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 54.61 3bws s LYS 235 Cb -0.02 -1.28 -0.04 0.00 -1.68 0.00 0.00 37.83 34.82 3bws s LYS 235 CO 0.29 0.06 0.51 0.91 -0.76 0.00 0.00 175.35 176.35 3bws n TRP 236 N 3.67 -1.38 -1.83 3.18 7.02 -1.26 -1.01 117.44 125.83 3bws n TRP 236 Ca -0.22 0.48 -0.42 0.00 -1.02 0.00 0.00 57.50 56.32 3bws n TRP 236 Cb 0.52 -3.41 -0.03 0.00 -2.42 0.00 0.00 31.31 25.98 3bws n TRP 236 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3bws s SER 237 N -3.22 6.47 0.00 -0.99 0.01 -1.26 -1.23 113.70 113.48 3bws s SER 237 Ca 0.26 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.31 3bws s SER 237 Cb -0.03 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3bws s SER 237 CO 0.41 -0.89 0.00 0.29 0.41 0.00 0.00 173.24 173.47 3bws n LYS 238 N 3.41 0.00 -2.22 12.44 5.02 0.02 -4.41 118.16 132.41 3bws n LYS 238 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3bws n LYS 238 Cb 0.37 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.35 3bws n LYS 238 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bws s ILE 239 N 0.00 3.31 -0.02 -0.18 -1.09 -1.26 -4.15 121.20 117.82 3bws s ILE 239 Ca 0.00 1.03 0.01 0.00 -2.23 0.00 0.00 60.65 59.45 3bws s ILE 239 Cb 0.00 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 3bws s ILE 239 CO 0.00 0.13 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.07 3bws s LEU 240 N 0.32 3.50 -0.01 2.97 1.43 -1.26 -1.07 118.68 124.56 3bws s LEU 240 Ca 0.59 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3bws s LEU 240 Cb -0.36 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 3bws s LEU 240 CO 0.35 0.30 -0.06 -0.22 0.23 0.00 0.00 176.35 176.95 3bws s LEU 241 N -1.38 1.96 -0.11 1.79 2.96 -0.32 -4.79 118.68 118.79 3bws s LEU 241 Ca 0.18 -0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3bws s LEU 241 Cb -0.11 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3bws s LEU 241 CO 0.08 0.07 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.67 3bws s TYR 242 N -0.07 3.04 -0.38 5.38 5.04 -1.26 -0.47 117.35 128.62 3bws s TYR 242 Ca 0.01 -0.08 -0.06 0.00 -2.44 0.00 0.00 57.07 54.50 3bws s TYR 242 Cb -0.03 -1.85 0.07 0.00 0.35 0.00 0.00 41.96 40.50 3bws s TYR 242 CO -0.00 0.20 0.18 0.34 -1.34 0.00 0.00 175.55 174.92 3bws s ASP 243 N -0.28 5.40 0.51 4.32 -1.08 0.04 -4.99 116.67 120.58 3bws s ASP 243 Ca 0.05 -1.49 0.30 0.00 -0.52 0.00 0.00 52.55 50.89 3bws s ASP 243 Cb -0.13 -1.89 1.18 0.00 -1.46 0.00 0.00 42.92 40.62 3bws s ASP 243 CO 0.02 -0.45 1.92 1.55 0.52 0.00 0.00 175.17 178.73 3bws h PRO 244 N 8.24 0.00 0.06 4.34 0.13 -1.97 0.13 132.00 142.94 3bws h PRO 244 Ca -0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3bws h PRO 244 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3bws h PRO 244 CO 0.68 0.09 -0.03 0.82 -0.23 0.00 0.00 178.00 179.33 3bws h ILE 245 N 0.00 1.25 0.00 -3.56 1.08 -1.96 -3.27 117.51 111.05 3bws h ILE 245 Ca -0.00 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 3bws h ILE 245 Cb 0.60 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 3bws h ILE 245 CO 0.01 0.32 -0.35 0.54 -0.69 0.00 0.00 178.15 177.98 3bws n ARG 246 N -4.84 0.08 -3.62 2.37 1.74 -1.23 -4.97 116.66 106.19 3bws n ARG 246 Ca -0.08 0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 56.83 3bws n ARG 246 Cb 0.30 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 3bws n ARG 246 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3bws n ASP 247 N -1.68 -1.64 -4.35 0.55 2.03 0.42 -4.95 116.55 106.92 3bws n ASP 247 Ca 0.05 -0.75 -0.23 0.00 0.52 0.00 0.00 54.79 54.38 3bws n ASP 247 Cb 0.36 -4.42 -0.12 0.00 -0.72 0.00 0.00 41.12 36.23 3bws n ASP 247 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bws s LEU 248 N -6.60 2.42 -0.13 -2.67 1.43 -1.01 -2.31 118.68 109.80 3bws s LEU 248 Ca 0.03 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 3bws s LEU 248 Cb -0.02 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 3bws s LEU 248 CO 0.78 0.02 -0.16 -0.69 0.23 0.00 0.00 176.35 176.53 3bws s VAL 249 N -1.82 2.72 -0.09 -1.59 1.01 0.08 -0.78 120.40 119.94 3bws s VAL 249 Ca 0.15 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3bws s VAL 249 Cb -0.07 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3bws s VAL 249 CO 0.07 0.53 0.17 -0.31 0.00 0.00 0.00 175.10 175.56 3bws s TYR 250 N 0.49 3.60 -0.10 5.22 2.02 0.38 -0.79 117.35 128.17 3bws s TYR 250 Ca -0.11 0.54 -0.00 0.00 -0.37 0.00 0.00 57.07 57.12 3bws s TYR 250 Cb -0.16 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.47 3bws s TYR 250 CO 0.05 0.72 -0.07 0.00 -1.57 0.00 0.00 175.55 174.67 3bws s SER 252 N 1.64 6.89 -0.38 0.00 0.01 -0.23 -0.58 113.70 121.05 3bws s SER 252 Ca 0.03 2.07 -0.07 0.00 1.31 0.00 0.00 55.95 59.29 3bws s SER 252 Cb -0.13 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 63.61 3bws s SER 252 CO -0.07 -0.68 0.18 0.20 0.41 0.00 0.00 173.24 173.28 3bws s ASN 253 N 1.73 5.40 0.13 2.44 0.01 0.26 -0.80 114.94 124.10 3bws s ASN 253 Ca 0.62 -1.46 -0.21 0.00 -0.71 0.00 0.00 52.86 51.10 3bws s ASN 253 Cb -0.30 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 3bws s ASN 253 CO 0.26 -0.45 1.69 -0.25 -1.51 0.00 0.00 177.10 176.84 3bws h TRP 254 N 8.25 -0.25 0.11 2.20 2.91 -0.97 -1.26 115.95 126.94 3bws h TRP 254 Ca -0.21 0.02 -0.19 0.00 1.13 0.00 0.00 58.89 59.64 3bws h TRP 254 Cb 1.07 0.13 0.02 0.00 -0.51 0.00 0.00 29.16 29.88 3bws h TRP 254 CO 0.60 -0.15 -0.79 0.82 -1.03 0.00 0.00 178.44 177.88 3bws h ILE 255 N -0.11 1.48 0.00 2.65 1.08 -1.28 -3.28 117.51 118.06 3bws h ILE 255 Ca 0.09 -2.43 0.00 0.00 -0.39 0.00 0.00 64.86 62.13 3bws h ILE 255 Cb 0.24 3.05 0.00 0.00 -3.07 0.00 0.00 36.82 37.03 3bws h ILE 255 CO -0.21 0.69 0.00 -1.54 -0.69 0.00 0.00 178.15 176.41 3bws n SER 256 N -4.13 0.00 -2.84 1.72 3.41 -1.17 -4.91 113.62 105.71 3bws n SER 256 Ca -0.13 -0.05 -0.21 0.00 -0.26 0.00 0.00 58.87 58.23 3bws n SER 256 Cb 0.80 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 64.48 3bws n SER 256 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bws n GLU 257 N -1.31 -4.93 -4.14 4.33 1.02 -0.48 -4.79 120.64 110.33 3bws n GLU 257 Ca 0.13 0.82 -0.17 0.00 -0.02 0.00 0.00 57.16 57.92 3bws n GLU 257 Cb 0.24 -5.52 -0.05 0.00 -0.02 0.00 0.00 31.44 26.09 3bws n GLU 257 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3bws s ASP 258 N -2.83 1.25 -0.10 1.62 1.47 -1.18 -0.95 116.67 115.95 3bws s ASP 258 Ca 0.32 -1.61 0.03 0.00 1.18 0.00 0.00 52.55 52.47 3bws s ASP 258 Cb -0.14 0.66 0.01 0.00 -0.34 0.00 0.00 42.92 43.10 3bws s ASP 258 CO 0.39 -1.27 -0.20 -0.63 0.68 0.00 0.00 175.17 174.15 3bws s ILE 259 N -3.02 1.78 0.03 2.11 1.01 -1.26 -0.58 121.20 121.27 3bws s ILE 259 Ca 0.33 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 3bws s ILE 259 Cb -0.00 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.84 3bws s ILE 259 CO 0.24 0.50 0.63 -0.44 0.00 0.00 0.00 174.94 175.86 3bws s SER 260 N 0.63 7.06 -0.24 3.58 0.01 0.25 -1.25 113.70 123.74 3bws s SER 260 Ca -0.13 1.26 -0.08 0.00 1.31 0.00 0.00 55.95 58.32 3bws s SER 260 Cb -0.16 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 3bws s SER 260 CO 0.04 0.14 0.08 -0.69 0.41 0.00 0.00 173.24 173.21 3bws s VAL 261 N -0.45 4.50 -0.13 3.43 1.01 0.69 -0.97 120.40 128.47 3bws s VAL 261 Ca 0.32 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3bws s VAL 261 Cb -0.19 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3bws s VAL 261 CO 0.19 0.35 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 3bws s ILE 262 N 1.40 2.62 -0.15 2.22 1.01 0.03 -0.32 121.20 128.02 3bws s ILE 262 Ca 0.06 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 3bws s ILE 262 Cb -0.15 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3bws s ILE 262 CO 0.04 0.53 1.52 -0.62 0.00 0.00 0.00 174.94 176.42 3bws s ASP 263 N 0.48 6.65 0.17 3.58 -1.08 -0.48 -0.74 116.67 125.25 3bws s ASP 263 Ca -0.12 1.86 -0.12 0.00 -0.52 0.00 0.00 52.55 53.65 3bws s ASP 263 Cb -0.16 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 38.83 3bws s ASP 263 CO 0.05 -0.99 1.71 -0.09 0.52 0.00 0.00 175.17 176.37 3bws h ARG 264 N 9.54 0.91 -0.14 4.34 1.12 -1.79 -1.31 114.38 127.05 3bws h ARG 264 Ca -0.34 -0.19 -0.01 0.00 -1.11 0.00 0.00 59.98 58.34 3bws h ARG 264 Cb 1.15 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.96 3bws h ARG 264 CO 0.98 0.81 0.07 0.87 -3.11 0.00 0.00 179.97 179.58 3bws h LYS 265 N 0.84 0.20 0.00 0.20 1.79 -1.91 -3.27 116.57 114.42 3bws h LYS 265 Ca 0.19 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3bws h LYS 265 Cb 0.26 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3bws h LYS 265 CO -0.01 0.25 -0.60 0.25 -1.08 0.00 0.00 179.45 178.27 3bws n THR 266 N -4.91 0.18 -3.58 -0.16 -2.24 -1.18 -4.96 114.28 97.43 3bws n THR 266 Ca -0.05 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.34 3bws n THR 266 Cb 0.09 0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.44 3bws n THR 266 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bws n LYS 267 N -1.82 -7.27 -4.63 -0.78 4.76 -0.50 -5.01 118.16 102.90 3bws n LYS 267 Ca 0.04 0.80 -0.23 0.00 -2.87 0.00 0.00 58.31 56.05 3bws n LYS 267 Cb 0.39 -5.81 -0.16 0.00 -1.84 0.00 0.00 35.03 27.61 3bws n LYS 267 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3bws s LEU 268 N -7.24 1.89 -0.07 -0.35 1.43 -1.23 -4.45 118.68 108.66 3bws s LEU 268 Ca 0.57 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 3bws s LEU 268 Cb -0.26 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 3bws s LEU 268 CO 0.70 0.12 1.54 -0.70 0.23 0.00 0.00 176.35 178.24 3bws s GLU 269 N 0.02 4.20 -0.13 1.70 2.12 -1.26 -1.39 118.70 123.96 3bws s GLU 269 Ca -0.01 2.04 0.19 0.00 0.36 0.00 0.00 54.97 57.55 3bws s GLU 269 Cb -0.09 -3.89 -0.28 0.00 0.26 0.00 0.00 34.13 30.14 3bws s GLU 269 CO 0.01 -0.79 0.24 0.44 -0.54 0.00 0.00 175.26 174.63 3bws n ILE 270 N 5.36 0.91 -3.83 -3.70 -5.35 0.56 -4.94 119.36 108.37 3bws n ILE 270 Ca 0.16 -0.73 -0.06 0.00 -0.27 0.00 0.00 62.75 61.85 3bws n ILE 270 Cb 0.43 -0.32 0.01 0.00 -1.74 0.00 0.00 39.64 38.03 3bws n ILE 270 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bws s ARG 271 N -2.86 1.76 -0.08 6.28 1.70 -1.16 -5.04 118.95 119.54 3bws s ARG 271 Ca -0.09 -1.09 -0.14 0.00 -0.47 0.00 0.00 55.73 53.94 3bws s ARG 271 Cb 0.09 0.52 0.03 0.00 -0.57 0.00 0.00 34.95 35.02 3bws s ARG 271 CO 0.86 -0.82 0.35 0.21 -1.08 0.00 0.00 175.30 174.82 3bws s LYS 272 N -2.71 0.55 0.95 3.89 2.20 -1.26 -0.23 119.74 123.13 3bws s LYS 272 Ca 0.16 0.20 -0.12 0.00 -0.36 0.00 0.00 55.97 55.85 3bws s LYS 272 Cb -0.04 0.25 0.16 0.00 -1.51 0.00 0.00 37.83 36.69 3bws s LYS 272 CO 0.08 -0.12 1.09 0.95 -0.36 0.00 0.00 175.35 176.99 3bws s THR 273 N -0.50 2.38 1.09 3.43 -4.23 -0.38 -4.97 115.64 112.46 3bws s THR 273 Ca -0.06 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 3bws s THR 273 Cb -0.04 -2.60 0.24 0.00 1.34 0.00 0.00 72.50 71.44 3bws s THR 273 CO 0.02 -0.16 1.08 -1.81 -0.54 0.00 0.00 174.62 173.21 3bws s ASP 274 N -3.42 1.80 0.22 3.99 1.01 -1.26 -4.61 116.67 114.40 3bws s ASP 274 Ca 0.64 1.09 -0.32 0.00 0.71 0.00 0.00 52.55 54.67 3bws s ASP 274 Cb -0.18 -1.68 -0.12 0.00 1.01 0.00 0.00 42.92 41.95 3bws s ASP 274 CO 0.57 -3.63 1.65 0.29 0.21 0.00 0.00 175.17 174.26 3bws n LYS 275 N -4.49 2.61 -1.42 8.23 5.02 -1.26 -4.63 118.16 122.23 3bws n LYS 275 Ca 0.06 0.94 0.02 0.00 -2.02 0.00 0.00 58.31 57.31 3bws n LYS 275 Cb 0.57 -2.75 0.08 0.00 -0.02 0.00 0.00 35.03 32.92 3bws n LYS 275 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3bws n ILE 276 N 3.30 1.03 -0.33 -0.18 -6.64 -0.12 -5.00 119.36 111.42 3bws n ILE 276 Ca 0.14 -2.17 0.00 0.00 -1.77 0.00 0.00 62.75 58.95 3bws n ILE 276 Cb 0.34 0.49 0.00 0.00 -1.44 0.00 0.00 39.64 39.03 3bws n ILE 276 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3bws n GLY 277 N -0.23 -3.01 3.47 3.28 0.00 -1.26 -4.76 105.19 102.67 3bws n GLY 277 Ca 0.13 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 3bws n GLY 277 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bws s LEU 278 N 0.00 4.66 0.29 0.99 0.20 -0.46 -4.40 118.68 119.97 3bws s LEU 278 Ca 0.00 -0.77 -0.07 0.00 0.69 0.00 0.00 54.13 53.97 3bws s LEU 278 Cb 0.00 -2.56 -0.06 0.00 -0.43 0.00 0.00 46.19 43.14 3bws s LEU 278 CO 0.00 -1.07 0.59 -2.16 -0.29 0.00 0.00 176.35 173.43 3bws s PRO 279 N 3.19 3.71 0.00 0.98 0.04 -1.26 0.29 135.00 141.95 3bws s PRO 279 Ca 0.20 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.41 3bws s PRO 279 Cb -0.17 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3bws s PRO 279 CO 0.14 0.20 0.00 -2.13 0.04 0.00 0.00 177.00 175.24 3bws n ARG 280 N -0.78 0.00 -1.89 4.56 0.63 0.26 -4.49 116.66 114.95 3bws n ARG 280 Ca -0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.57 3bws n ARG 280 Cb 0.53 0.00 0.04 0.00 0.45 0.00 0.00 32.46 33.49 3bws n ARG 280 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3bws s GLY 281 N -1.22 2.61 0.03 5.14 0.00 -0.24 -4.50 107.32 109.13 3bws s GLY 281 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.67 3bws s GLY 281 CO 0.00 1.32 -0.06 1.08 0.00 0.00 0.00 173.10 175.44 3bws s LEU 282 N -4.33 2.22 -0.17 0.66 1.43 -1.26 -0.72 118.68 116.51 3bws s LEU 282 Ca 0.76 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 53.28 3bws s LEU 282 Cb -0.29 -0.09 0.06 0.00 0.03 0.00 0.00 46.19 45.90 3bws s LEU 282 CO 0.36 -0.20 0.42 -0.22 0.23 0.00 0.00 176.35 176.93 3bws s LEU 283 N -1.37 -0.03 -0.06 1.79 2.96 -0.05 -4.77 118.68 117.14 3bws s LEU 283 Ca -0.10 0.89 -0.16 0.00 -0.22 0.00 0.00 54.13 54.54 3bws s LEU 283 Cb -0.09 1.38 -0.05 0.00 0.50 0.00 0.00 46.19 47.93 3bws s LEU 283 CO -0.00 -0.19 0.43 -0.22 -1.32 0.00 0.00 176.35 175.05 3bws s LEU 284 N 1.23 4.37 0.94 -0.68 2.96 -1.26 0.88 118.68 127.13 3bws s LEU 284 Ca -0.08 0.86 -0.10 0.00 -0.22 0.00 0.00 54.13 54.59 3bws s LEU 284 Cb -0.08 -2.61 0.16 0.00 0.50 0.00 0.00 46.19 44.16 3bws s LEU 284 CO -0.11 0.17 1.14 -0.94 -1.32 0.00 0.00 176.35 175.29 3bws s SER 285 N -0.24 2.66 0.18 3.68 1.04 0.27 -4.88 113.70 116.41 3bws s SER 285 Ca 0.24 2.15 -0.13 0.00 0.48 0.00 0.00 55.95 58.69 3bws s SER 285 Cb -0.16 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.51 3bws s SER 285 CO 0.11 -3.26 1.84 0.07 0.98 0.00 0.00 173.24 172.98 3bws h LYS 286 N -1.98 0.72 0.00 4.02 -0.00 -1.95 -1.78 116.57 115.61 3bws h LYS 286 Ca -0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 3bws h LYS 286 Cb 1.28 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 3bws h LYS 286 CO 0.42 0.48 0.00 -0.40 -0.00 0.00 0.00 179.45 179.94 3bws n ASP 287 N -4.71 0.00 0.00 7.07 5.68 -1.26 -4.87 116.55 118.45 3bws n ASP 287 Ca 0.04 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 3bws n ASP 287 Cb 0.04 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3bws n ASP 287 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bws n GLY 288 N 0.26 0.71 0.12 6.12 0.00 -0.67 -4.87 105.19 106.86 3bws n GLY 288 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3bws n GLY 288 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bws h LYS 289 N 1.97 0.00 -5.21 1.61 5.09 -1.90 -3.46 116.57 114.68 3bws h LYS 289 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 60.65 60.28 3bws h LYS 289 Cb 0.00 0.00 -0.28 0.00 0.10 0.00 0.00 32.23 32.05 3bws h LYS 289 CO 0.00 0.00 -0.80 -1.21 -2.09 0.00 0.00 179.45 175.35 3bws s GLU 290 N -3.34 1.01 -0.20 0.07 2.02 -1.26 -4.22 118.70 112.79 3bws s GLU 290 Ca 0.01 -0.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.41 3bws s GLU 290 Cb 0.09 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 3bws s GLU 290 CO 0.77 0.26 -0.05 -1.17 0.02 0.00 0.00 175.26 175.09 3bws s LEU 291 N -0.57 2.94 -0.19 1.80 2.96 0.52 -0.57 118.68 125.57 3bws s LEU 291 Ca 0.04 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.46 3bws s LEU 291 Cb -0.06 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3bws s LEU 291 CO 0.00 0.04 0.40 -0.31 -1.32 0.00 0.00 176.35 175.16 3bws s TYR 292 N 1.11 3.39 -0.22 5.38 4.12 0.25 -1.40 117.35 129.99 3bws s TYR 292 Ca 0.01 0.64 -0.00 0.00 0.02 0.00 0.00 57.07 57.75 3bws s TYR 292 Cb -0.15 -2.52 0.03 0.00 -1.52 0.00 0.00 41.96 37.80 3bws s TYR 292 CO -0.01 0.02 -0.12 0.42 0.02 0.00 0.00 175.55 175.88 3bws s ILE 293 N 1.19 2.49 -0.56 2.71 1.01 -0.59 -0.87 121.20 126.58 3bws s ILE 293 Ca 0.20 -1.03 -0.28 0.00 0.00 0.00 0.00 60.65 59.54 3bws s ILE 293 Cb -0.15 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3bws s ILE 293 CO 0.08 0.33 1.53 0.00 0.00 0.00 0.00 174.94 176.87 3bws s ALA 294 N 1.29 2.70 -0.45 9.38 0.00 0.10 -0.56 121.76 134.21 3bws s ALA 294 Ca 0.01 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 3bws s ALA 294 Cb -0.15 -4.14 0.03 0.00 0.00 0.00 0.00 23.12 18.86 3bws s ALA 294 CO -0.08 -3.09 1.00 -0.65 0.00 0.00 0.00 175.76 172.94 3bws s GLN 295 N 5.81 3.64 0.42 0.00 -0.21 -0.88 -0.57 119.66 127.87 3bws s GLN 295 Ca 0.57 0.36 0.12 0.00 0.02 0.00 0.00 55.36 56.43 3bws s GLN 295 Cb -0.12 -3.90 0.92 0.00 1.00 0.00 0.00 33.01 30.90 3bws s GLN 295 CO 0.25 -1.24 1.98 0.35 -2.12 0.00 0.00 175.29 174.51 3bws h PHE 296 N 9.03 0.17 -3.15 0.91 3.57 0.23 -1.33 116.94 126.37 3bws h PHE 296 Ca -0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.20 3bws h PHE 296 Cb 1.07 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3bws h PHE 296 CO 0.90 0.26 0.21 -1.54 -2.23 0.00 0.00 178.31 175.92 3bws s SER 297 N -6.92 0.13 0.32 0.41 1.04 -1.20 -3.93 113.70 103.55 3bws s SER 297 Ca -0.05 -1.19 0.07 0.00 0.48 0.00 0.00 55.95 55.25 3bws s SER 297 Cb 0.16 0.83 0.55 0.00 0.10 0.00 0.00 66.02 67.66 3bws s SER 297 CO 0.71 -1.64 1.77 0.00 0.98 0.00 0.00 173.24 175.06 3bws h ALA 298 N 2.01 1.23 -1.78 5.32 0.00 -1.48 -1.21 119.26 123.35 3bws h ALA 298 Ca -0.32 -0.34 0.27 0.00 0.00 0.00 0.00 54.91 54.53 3bws h ALA 298 Cb 1.25 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 3bws h ALA 298 CO 0.40 0.51 0.71 -1.54 0.00 0.00 0.00 179.25 179.34 3bws s SER 299 N -6.87 -0.09 0.00 0.00 1.04 -1.26 -3.82 113.70 102.70 3bws s SER 299 Ca -0.05 -0.24 0.11 0.00 0.48 0.00 0.00 55.95 56.25 3bws s SER 299 Cb 0.14 0.28 0.57 0.00 0.10 0.00 0.00 66.02 67.10 3bws s SER 299 CO 0.76 -0.51 1.23 0.59 0.98 0.00 0.00 173.24 176.29 3bws n ASN 300 N -0.52 0.00 0.04 7.02 4.13 -1.26 -2.50 115.26 122.17 3bws n ASN 300 Ca -0.07 0.08 0.12 0.00 1.68 0.00 0.00 54.58 56.38 3bws n ASN 300 Cb 0.62 -0.26 0.08 0.00 -1.54 0.00 0.00 39.78 38.68 3bws n ASN 300 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3bws n GLN 301 N -1.26 0.31 -4.34 3.52 3.00 -1.26 -4.92 117.38 112.43 3bws n GLN 301 Ca 0.06 0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 3bws n GLN 301 Cb 0.08 -1.64 -0.10 0.00 0.00 0.00 0.00 30.24 28.58 3bws n GLN 301 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 3bws s GLU 302 N -3.19 1.31 0.27 -1.09 -1.05 -1.04 -5.06 118.70 108.85 3bws s GLU 302 Ca 0.04 -1.57 0.18 0.00 -0.15 0.00 0.00 54.97 53.48 3bws s GLU 302 Cb 0.14 -1.12 0.08 0.00 -0.44 0.00 0.00 34.13 32.79 3bws s GLU 302 CO 0.77 0.19 1.31 0.66 0.95 0.00 0.00 175.26 179.14 3bws h SER 303 N 2.64 0.00 -0.00 0.83 4.64 -1.91 -3.42 113.55 116.32 3bws h SER 303 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3bws h SER 303 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3bws h SER 303 CO 0.61 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 3bws n GLY 304 N 1.22 5.41 2.03 -0.77 0.00 -1.26 -4.81 105.19 107.01 3bws n GLY 304 Ca 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 3bws n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bws n GLY 305 N 0.09 0.48 3.77 -0.02 0.00 -1.17 -1.86 105.19 106.48 3bws n GLY 305 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3bws n GLY 305 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bws s GLY 306 N -2.05 2.85 0.42 -0.02 0.00 -0.02 -3.89 107.32 104.60 3bws s GLY 306 Ca 0.00 0.77 0.04 0.00 0.00 0.00 0.00 44.72 45.53 3bws s GLY 306 CO 0.00 1.26 0.15 0.54 0.00 0.00 0.00 173.10 175.04 3bws n ARG 307 N 0.33 0.58 -2.67 2.90 1.74 -1.25 -0.37 116.66 117.91 3bws n ARG 307 Ca 0.03 -3.53 -0.43 0.00 -0.77 0.00 0.00 57.85 53.15 3bws n ARG 307 Cb 0.48 1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 33.79 3bws n ARG 307 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3bws s LEU 308 N 0.00 3.77 0.29 0.55 2.96 -0.53 -2.07 118.68 123.64 3bws s LEU 308 Ca 0.21 0.40 -0.28 0.00 -0.22 0.00 0.00 54.13 54.24 3bws s LEU 308 Cb 0.01 -3.44 -0.09 0.00 0.50 0.00 0.00 46.19 43.17 3bws s LEU 308 CO 0.15 -1.16 0.97 -0.83 -1.32 0.00 0.00 176.35 174.15 3bws s GLY 309 N 2.34 2.97 -0.29 7.98 0.00 0.27 -0.28 107.32 120.31 3bws s GLY 309 Ca 0.44 0.63 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 3bws s GLY 309 CO 0.29 1.15 -0.03 -0.42 0.00 0.00 0.00 173.10 174.09 3bws s ILE 310 N -1.37 2.79 -0.23 0.90 1.01 0.11 -1.55 121.20 122.86 3bws s ILE 310 Ca 0.46 -1.41 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 3bws s ILE 310 Cb -0.24 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3bws s ILE 310 CO 0.30 -0.06 0.04 -0.47 0.00 0.00 0.00 174.94 174.75 3bws s TYR 311 N 1.22 3.07 0.42 3.97 5.04 -0.49 0.15 117.35 130.73 3bws s TYR 311 Ca -0.06 -0.44 -0.07 0.00 -2.44 0.00 0.00 57.07 54.07 3bws s TYR 311 Cb -0.20 -2.18 0.10 0.00 0.35 0.00 0.00 41.96 40.03 3bws s TYR 311 CO -0.02 -0.31 0.57 0.45 -1.34 0.00 0.00 175.55 174.90 3bws n SER 312 N 4.65 0.11 0.00 4.32 2.88 0.31 -0.36 113.62 125.53 3bws n SER 312 Ca -0.17 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.13 3bws n SER 312 Cb 0.51 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 3bws n SER 312 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3bws n ASP 314 N -3.33 0.00 -0.01 -3.46 8.00 -1.26 -0.89 116.55 115.60 3bws n ASP 314 Ca 0.07 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.71 3bws n ASP 314 Cb 0.26 0.00 0.57 0.00 -0.02 0.00 0.00 41.12 41.92 3bws n ASP 314 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bws n LYS 315 N 0.00 0.08 -3.94 -1.24 5.02 -1.26 -4.94 118.16 111.88 3bws n LYS 315 Ca 0.00 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 3bws n LYS 315 Cb 0.00 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3bws n LYS 315 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bws n GLU 316 N -1.45 -3.96 -3.66 1.97 -0.58 -0.07 -4.98 120.64 107.91 3bws n GLU 316 Ca 0.08 0.47 -0.12 0.00 -0.42 0.00 0.00 57.16 57.17 3bws n GLU 316 Cb 0.33 -4.91 -0.06 0.00 -0.57 0.00 0.00 31.44 26.23 3bws n GLU 316 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 3bws s LYS 317 N -6.51 0.95 -0.26 3.49 -2.85 -1.14 -4.87 119.74 108.55 3bws s LYS 317 Ca 0.24 -0.47 -0.29 0.00 -1.00 0.00 0.00 55.97 54.44 3bws s LYS 317 Cb -0.12 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 3bws s LYS 317 CO 0.87 -0.34 1.49 -1.17 0.10 0.00 0.00 175.35 176.30 3bws s LEU 318 N -2.24 3.88 -0.00 2.77 2.96 -1.26 -0.53 118.68 124.26 3bws s LEU 318 Ca -0.03 1.44 0.21 0.00 -0.22 0.00 0.00 54.13 55.53 3bws s LEU 318 Cb 0.00 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.92 3bws s LEU 318 CO -0.05 -1.19 0.56 2.30 -1.32 0.00 0.00 176.35 176.65 3bws n ILE 319 N 6.35 0.46 -3.49 6.68 -5.35 0.12 -4.95 119.36 119.19 3bws n ILE 319 Ca 0.17 -0.59 -0.12 0.00 -0.27 0.00 0.00 62.75 61.94 3bws n ILE 319 Cb 0.46 -0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 38.11 3bws n ILE 319 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3bws s ASP 320 N -4.97 -0.50 -0.05 7.28 -1.08 -1.14 -5.01 116.67 111.19 3bws s ASP 320 Ca -0.06 0.03 0.01 0.00 -0.52 0.00 0.00 52.55 52.01 3bws s ASP 320 Cb 0.11 0.56 0.02 0.00 -1.46 0.00 0.00 42.92 42.15 3bws s ASP 320 CO 0.86 -0.89 -0.06 0.42 0.52 0.00 0.00 175.17 176.03 3bws s THR 321 N -3.37 0.68 0.36 1.71 -4.23 -1.26 0.08 115.64 109.61 3bws s THR 321 Ca -0.01 -0.20 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 3bws s THR 321 Cb -0.00 -0.68 -0.06 0.00 1.34 0.00 0.00 72.50 73.09 3bws s THR 321 CO -0.09 0.26 0.05 0.27 -0.54 0.00 0.00 174.62 174.56 3bws s ILE 322 N 0.94 1.37 0.02 2.99 -4.36 0.61 -4.91 121.20 117.86 3bws s ILE 322 Ca -0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3bws s ILE 322 Cb -0.14 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.77 3bws s ILE 322 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 3bws n GLY 323 N -0.80 -2.07 3.80 6.27 0.00 -1.26 -1.45 105.19 109.68 3bws n GLY 323 Ca -0.04 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.20 3bws n GLY 323 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bws s PRO 324 N -2.20 2.37 0.43 1.61 0.04 -1.26 -4.82 135.00 131.17 3bws s PRO 324 Ca 0.00 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 61.59 3bws s PRO 324 Cb 0.00 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 3bws s PRO 324 CO 0.00 -1.46 1.21 -1.25 0.04 0.00 0.00 177.00 175.55 3bws s PRO 325 N -5.09 3.90 0.00 0.56 0.04 -1.26 -4.69 135.00 128.46 3bws s PRO 325 Ca 0.60 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.56 3bws s PRO 325 Cb -0.15 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3bws s PRO 325 CO 0.55 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.52 3bws n GLY 326 N 0.60 -1.08 2.49 0.56 0.00 0.51 -4.80 105.19 103.47 3bws n GLY 326 Ca 0.05 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3bws n GLY 326 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bws n ASN 327 N 0.00 2.09 -4.74 1.61 3.02 -1.25 -0.84 115.26 115.14 3bws n ASN 327 Ca 0.00 -3.05 -0.41 0.00 -0.03 0.00 0.00 54.58 51.09 3bws n ASN 327 Cb 0.00 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 38.48 3bws n ASN 327 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3bws s LYS 328 N -1.52 4.24 0.00 3.52 -0.14 -0.50 -4.33 119.74 121.00 3bws s LYS 328 Ca 0.34 2.36 0.00 0.00 -1.36 0.00 0.00 55.97 57.31 3bws s LYS 328 Cb 0.09 -3.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.14 3bws s LYS 328 CO -0.11 -0.47 0.00 -2.13 -0.76 0.00 0.00 175.35 171.88 3bws n ARG 329 N 2.40 0.00 -4.34 1.68 0.00 0.17 -2.37 116.66 114.21 3bws n ARG 329 Ca 0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.62 3bws n ARG 329 Cb 0.40 -0.01 -0.11 0.00 0.00 0.00 0.00 32.46 32.74 3bws n ARG 329 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3bws s HIS 330 N -0.70 2.69 -0.05 -0.14 2.46 -1.25 -1.08 115.29 117.22 3bws s HIS 330 Ca 0.00 -0.18 0.01 0.00 0.47 0.00 0.00 55.06 55.37 3bws s HIS 330 Cb 0.00 -1.44 0.02 0.00 -0.13 0.00 0.00 32.58 31.03 3bws s HIS 330 CO 0.00 0.39 -0.06 0.42 -2.47 0.00 0.00 174.74 173.01 3bws s ILE 331 N -1.13 0.64 0.11 0.89 1.01 -1.26 -1.41 121.20 120.06 3bws s ILE 331 Ca 0.19 -0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.68 3bws s ILE 331 Cb -0.11 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3bws s ILE 331 CO 0.11 0.24 -0.09 0.68 0.00 0.00 0.00 174.94 175.89 3bws s VAL 332 N 0.80 0.90 0.44 2.92 -7.23 -0.59 -4.74 120.40 112.90 3bws s VAL 332 Ca -0.12 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 57.94 3bws s VAL 332 Cb -0.14 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 3bws s VAL 332 CO 0.01 -0.75 1.05 -0.94 -0.31 0.00 0.00 175.10 174.16 3bws s SER 333 N -2.91 6.56 0.94 4.85 1.04 -1.26 -1.32 113.70 121.60 3bws s SER 333 Ca 0.11 2.00 -0.06 0.00 0.48 0.00 0.00 55.95 58.49 3bws s SER 333 Cb 0.02 -2.57 0.08 0.00 0.10 0.00 0.00 66.02 63.65 3bws s SER 333 CO -0.02 -0.63 0.50 0.61 0.98 0.00 0.00 173.24 174.69 3bws n GLY 334 N 0.09 -1.02 0.10 7.32 0.00 0.14 -4.78 105.19 107.04 3bws n GLY 334 Ca 0.07 -1.72 0.15 0.00 0.00 0.00 0.00 46.02 44.51 3bws n GLY 334 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bws n ASN 335 N -3.29 0.38 -4.45 1.61 5.15 -1.26 -4.84 115.26 108.56 3bws n ASN 335 Ca 0.06 -0.61 -0.23 0.00 -0.60 0.00 0.00 54.58 53.21 3bws n ASN 335 Cb 0.23 -0.10 -0.10 0.00 -0.53 0.00 0.00 39.78 39.28 3bws n ASN 335 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3bws s THR 336 N -2.40 1.98 0.17 -0.44 -4.23 -1.26 -5.07 115.64 104.38 3bws s THR 336 Ca 0.32 -2.22 -0.15 0.00 -1.18 0.00 0.00 61.69 58.47 3bws s THR 336 Cb 0.20 -2.40 0.05 0.00 1.34 0.00 0.00 72.50 71.69 3bws s THR 336 CO 0.45 -0.34 1.83 -0.33 -0.54 0.00 0.00 174.62 175.69 3bws h GLU 337 N 2.26 0.64 -0.26 3.99 5.08 -2.03 -2.91 114.58 121.35 3bws h GLU 337 Ca -0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3bws h GLU 337 Cb 1.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3bws h GLU 337 CO 0.66 0.43 0.00 -1.71 -1.00 0.00 0.00 179.01 177.39 3bws n ASN 338 N -4.74 2.09 -4.46 1.42 5.15 -1.26 -4.90 115.26 108.55 3bws n ASN 338 Ca 0.02 -1.83 -0.35 0.00 -0.60 0.00 0.00 54.58 51.83 3bws n ASN 338 Cb 0.02 -0.17 -0.12 0.00 -0.53 0.00 0.00 39.78 38.98 3bws n ASN 338 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3bws s LYS 339 N -1.66 3.64 0.09 1.20 2.20 -1.10 -1.86 119.74 122.25 3bws s LYS 339 Ca 0.32 -0.50 0.07 0.00 -0.36 0.00 0.00 55.97 55.50 3bws s LYS 339 Cb 0.18 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 3bws s LYS 339 CO 0.25 0.00 -0.19 0.96 -0.36 0.00 0.00 175.35 176.02 3bws s ILE 340 N 1.04 1.53 -0.07 5.43 -4.36 -1.14 0.27 121.20 123.90 3bws s ILE 340 Ca 0.02 -1.43 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 3bws s ILE 340 Cb -0.14 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.14 3bws s ILE 340 CO 0.02 -0.07 -0.09 -0.31 0.24 0.00 0.00 174.94 174.72 3bws s TYR 341 N -1.14 2.86 -0.04 1.37 2.02 -0.43 -1.02 117.35 120.97 3bws s TYR 341 Ca 0.04 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 3bws s TYR 341 Cb -0.10 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 3bws s TYR 341 CO 0.03 0.24 -0.03 0.08 -1.57 0.00 0.00 175.55 174.31 3bws s VAL 342 N -0.67 0.39 0.00 0.71 1.01 -0.57 -1.54 120.40 119.73 3bws s VAL 342 Ca 0.10 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.80 3bws s VAL 342 Cb -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 3bws s VAL 342 CO 0.01 0.19 0.76 -0.94 0.00 0.00 0.00 175.10 175.12 3bws s SER 343 N 0.96 7.14 0.54 3.32 1.04 -0.50 0.01 113.70 126.21 3bws s SER 343 Ca -0.11 1.37 0.02 0.00 0.48 0.00 0.00 55.95 57.72 3bws s SER 343 Cb -0.14 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.54 3bws s SER 343 CO -0.01 -0.05 0.17 -0.62 0.98 0.00 0.00 173.24 173.72 3bws s ASP 344 N 0.32 4.35 0.00 7.02 -1.08 -0.66 -0.65 116.67 125.97 3bws s ASP 344 Ca 0.39 -1.52 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 3bws s ASP 344 Cb -0.19 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 41.84 3bws s ASP 344 CO 0.22 -1.00 0.00 0.00 0.52 0.00 0.00 175.17 174.90 3bws n SER 348 N 0.24 -3.24 -3.87 0.00 7.64 -1.24 -4.92 113.62 108.23 3bws n SER 348 Ca 0.05 -0.83 -0.10 0.00 1.01 0.00 0.00 58.87 59.00 3bws n SER 348 Cb 0.99 -3.78 -0.09 0.00 -1.01 0.00 0.00 64.21 60.32 3bws n SER 348 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3bws s LYS 349 N -6.45 0.67 -0.13 1.43 -2.85 -1.24 -0.86 119.74 110.31 3bws s LYS 349 Ca 0.42 -0.70 -0.01 0.00 -1.00 0.00 0.00 55.97 54.68 3bws s LYS 349 Cb -0.21 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.81 3bws s LYS 349 CO 0.84 -0.19 -0.10 0.42 0.10 0.00 0.00 175.35 176.42 3bws s ILE 350 N -2.70 3.35 -0.15 3.79 -1.09 -0.30 -1.65 121.20 122.45 3bws s ILE 350 Ca -0.04 -0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 57.74 3bws s ILE 350 Cb -0.00 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.41 3bws s ILE 350 CO -0.05 0.52 0.12 -1.61 -1.23 0.00 0.00 174.94 172.70 3bws s GLU 351 N 0.20 3.69 -0.38 2.79 2.02 0.10 0.14 118.70 127.26 3bws s GLU 351 Ca -0.06 -0.20 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 3bws s GLU 351 Cb -0.15 -3.23 0.04 0.00 0.10 0.00 0.00 34.13 30.89 3bws s GLU 351 CO 0.04 0.57 0.20 0.08 0.02 0.00 0.00 175.26 176.18 3bws s VAL 352 N -0.45 4.34 0.05 2.63 1.01 0.14 -1.50 120.40 126.61 3bws s VAL 352 Ca 0.11 -1.06 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 3bws s VAL 352 Cb -0.12 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 3bws s VAL 352 CO 0.02 -0.31 0.49 -0.31 0.00 0.00 0.00 175.10 174.99 3bws s TYR 353 N 1.49 3.74 -0.36 5.22 2.02 -0.19 0.22 117.35 129.49 3bws s TYR 353 Ca 0.01 1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 57.71 3bws s TYR 353 Cb -0.20 -2.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.00 3bws s TYR 353 CO 0.05 0.60 0.20 0.34 -1.57 0.00 0.00 175.55 175.16 3bws s ASP 354 N -1.19 5.72 0.08 2.29 -1.08 0.56 -2.86 116.67 120.19 3bws s ASP 354 Ca 0.28 -0.89 -0.18 0.00 -0.52 0.00 0.00 52.55 51.23 3bws s ASP 354 Cb -0.17 -2.03 -0.09 0.00 -1.46 0.00 0.00 42.92 39.17 3bws s ASP 354 CO 0.16 -0.35 1.49 -0.07 0.52 0.00 0.00 175.17 176.93 3bws h LEU 355 N 8.43 0.45 -0.31 -1.34 3.38 -1.64 0.16 115.31 124.44 3bws h LEU 355 Ca -0.27 -0.34 0.06 0.00 0.09 0.00 0.00 57.88 57.42 3bws h LEU 355 Cb 1.11 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 3bws h LEU 355 CO 0.66 0.69 -0.10 0.11 0.09 0.00 0.00 178.44 179.89 3bws h LYS 356 N 0.21 -0.03 0.00 1.13 1.79 -1.95 -2.37 116.57 115.36 3bws h LYS 356 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3bws h LYS 356 Cb 0.47 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3bws h LYS 356 CO 0.02 -0.02 0.00 0.93 -1.08 0.00 0.00 179.45 179.30 3bws h GLU 357 N -0.03 0.00 -5.70 3.15 4.39 -1.93 -3.47 114.58 110.99 3bws h GLU 357 Ca 0.15 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.50 3bws h GLU 357 Cb 0.26 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.07 3bws h GLU 357 CO -0.33 0.00 -0.75 0.36 -1.16 0.00 0.00 179.01 177.13 3bws n LYS 358 N -2.50 -6.94 -2.57 2.33 2.85 0.55 -5.00 118.16 106.89 3bws n LYS 358 Ca 0.04 0.84 -0.01 0.00 -1.05 0.00 0.00 58.31 58.13 3bws n LYS 358 Cb 0.37 -5.87 0.01 0.00 -0.65 0.00 0.00 35.03 28.89 3bws n LYS 358 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3bws n LYS 359 N -4.34 0.28 -2.98 -1.58 2.85 -1.04 -4.66 118.16 106.70 3bws n LYS 359 Ca -0.22 -0.66 -0.41 0.00 -1.05 0.00 0.00 58.31 55.98 3bws n LYS 359 Cb 0.64 0.90 -0.05 0.00 -0.65 0.00 0.00 35.03 35.88 3bws n LYS 359 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3bws s VAL 360 N -2.32 4.96 -0.28 0.58 1.01 -1.26 -0.32 120.40 122.77 3bws s VAL 360 Ca 0.11 1.50 0.23 0.00 0.00 0.00 0.00 61.98 63.81 3bws s VAL 360 Cb -0.01 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 3bws s VAL 360 CO 0.02 0.12 0.97 0.00 0.00 0.00 0.00 175.10 176.21 3bws n GLN 361 N 4.69 0.55 -3.63 2.72 10.64 0.13 -4.89 117.38 127.59 3bws n GLN 361 Ca 0.02 0.05 -0.10 0.00 -1.83 0.00 0.00 57.00 55.14 3bws n GLN 361 Cb 0.50 -1.74 -0.07 0.00 -0.86 0.00 0.00 30.24 28.07 3bws n GLN 361 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 3bws s LYS 362 N -3.35 0.57 -0.18 2.61 2.20 -1.17 -5.01 119.74 115.40 3bws s LYS 362 Ca -0.01 0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 56.21 3bws s LYS 362 Cb 0.11 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 3bws s LYS 362 CO 0.81 -0.07 -0.01 -1.12 -0.36 0.00 0.00 175.35 174.60 3bws s SER 363 N 0.21 4.89 -0.31 1.43 0.01 -1.26 0.23 113.70 118.90 3bws s SER 363 Ca 0.02 -0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.01 3bws s SER 363 Cb -0.05 -1.82 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 3bws s SER 363 CO -0.05 0.11 0.23 -0.63 0.41 0.00 0.00 173.24 173.31 3bws s ILE 364 N 0.73 5.29 0.22 1.44 1.01 0.12 -4.93 121.20 125.08 3bws s ILE 364 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 3bws s ILE 364 Cb -0.14 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 3bws s ILE 364 CO 0.02 0.11 1.20 -2.84 0.00 0.00 0.00 174.94 173.44 3bws s PRO 365 N 1.77 4.50 0.00 2.79 0.02 -1.26 -1.15 135.00 141.66 3bws s PRO 365 Ca 0.07 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3bws s PRO 365 Cb -0.17 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.14 3bws s PRO 365 CO 0.11 -0.06 0.00 1.33 -0.33 0.00 0.00 177.00 178.05 3bws n VAL 366 N 2.12 0.00 -2.49 3.83 0.24 -0.04 -4.87 118.33 117.11 3bws n VAL 366 Ca 0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.10 3bws n VAL 366 Cb 0.44 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.89 3bws n VAL 366 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 3bws s PHE 367 N 0.56 2.32 0.27 6.34 5.36 -1.26 -4.76 117.98 126.81 3bws s PHE 367 Ca 0.00 -0.00 -0.30 0.00 -0.96 0.00 0.00 56.93 55.67 3bws s PHE 367 Cb 0.00 -3.01 -0.13 0.00 -0.34 0.00 0.00 43.02 39.54 3bws s PHE 367 CO 0.00 -1.40 1.26 -0.25 -1.46 0.00 0.00 175.22 173.37 3bws n ASP 368 N -2.73 2.28 -3.33 6.13 9.92 -1.26 -3.97 116.55 123.60 3bws n ASP 368 Ca 0.11 1.17 -0.17 0.00 -0.53 0.00 0.00 54.79 55.37 3bws n ASP 368 Cb 0.60 -1.39 0.07 0.00 -0.64 0.00 0.00 41.12 39.76 3bws n ASP 368 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3bws n LYS 369 N 1.28 -2.57 -2.11 -1.24 4.76 -1.26 -1.84 118.16 115.17 3bws n LYS 369 Ca 0.09 0.81 -0.42 0.00 -2.87 0.00 0.00 58.31 55.93 3bws n LYS 369 Cb 0.32 -5.62 -0.03 0.00 -1.84 0.00 0.00 35.03 27.86 3bws n LYS 369 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3bws s PRO 370 N -4.70 4.27 0.00 1.97 0.04 -1.25 -0.45 135.00 134.88 3bws s PRO 370 Ca 0.41 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3bws s PRO 370 Cb -0.07 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.06 3bws s PRO 370 CO 0.76 -0.56 0.00 0.27 0.04 0.00 0.00 177.00 177.51 3bws n ASN 371 N 4.72 0.00 -4.75 6.66 0.23 -0.08 -4.50 115.26 117.54 3bws n ASN 371 Ca 0.13 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.78 3bws n ASN 371 Cb 0.42 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.07 3bws n ASN 371 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3bws s THR 372 N 0.34 3.85 0.11 5.53 2.01 -1.25 -4.14 115.64 122.10 3bws s THR 372 Ca 0.00 1.72 0.05 0.00 0.31 0.00 0.00 61.69 63.77 3bws s THR 372 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 3bws s THR 372 CO 0.00 0.35 -0.13 0.27 -0.69 0.00 0.00 174.62 174.42 3bws s ILE 373 N -0.68 1.20 -0.18 1.82 -4.36 -1.26 -1.07 121.20 116.67 3bws s ILE 373 Ca 0.46 -1.70 -0.14 0.00 -0.26 0.00 0.00 60.65 59.01 3bws s ILE 373 Cb -0.29 -1.48 0.05 0.00 1.25 0.00 0.00 42.46 41.99 3bws s ILE 373 CO 0.36 -0.47 0.46 0.00 0.24 0.00 0.00 174.94 175.53 3bws s ALA 374 N -2.26 -1.16 0.13 2.27 0.00 -0.28 -4.89 121.76 115.57 3bws s ALA 374 Ca 0.08 1.44 -0.28 0.00 0.00 0.00 0.00 51.96 53.20 3bws s ALA 374 Cb -0.04 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 22.16 3bws s ALA 374 CO 0.02 -0.24 0.87 -1.17 0.00 0.00 0.00 175.76 175.24 3bws s LEU 375 N 0.67 4.54 0.47 0.00 2.96 -1.26 -0.65 118.68 125.41 3bws s LEU 375 Ca -0.03 1.71 -0.24 0.00 -0.22 0.00 0.00 54.13 55.35 3bws s LEU 375 Cb -0.05 -3.45 -0.07 0.00 0.50 0.00 0.00 46.19 43.12 3bws s LEU 375 CO -0.05 0.05 1.37 -0.94 -1.32 0.00 0.00 176.35 175.47 3bws s SER 376 N -0.48 5.78 0.43 3.68 1.04 0.15 -4.89 113.70 119.41 3bws s SER 376 Ca 0.41 2.80 0.23 0.00 0.48 0.00 0.00 55.95 59.87 3bws s SER 376 Cb -0.23 -2.64 1.21 0.00 0.10 0.00 0.00 66.02 64.46 3bws s SER 376 CO 0.28 -1.23 1.77 -0.65 0.98 0.00 0.00 173.24 174.40 3bws h PRO 377 N 2.11 0.29 -0.00 4.02 0.11 -1.88 0.25 132.00 136.90 3bws h PRO 377 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3bws h PRO 377 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3bws h PRO 377 CO 0.60 0.19 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.17 3bws n ASP 378 N -4.54 0.37 0.00 -2.05 5.75 -1.26 -4.92 116.55 109.90 3bws n ASP 378 Ca 0.26 -0.98 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 3bws n ASP 378 Cb 0.98 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.04 3bws n ASP 378 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bws n GLY 379 N 1.09 0.72 0.20 6.12 0.00 0.89 -4.88 105.19 109.33 3bws n GLY 379 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 3bws n GLY 379 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bws h LYS 380 N 1.95 0.47 -6.47 1.61 3.64 -1.92 -3.43 116.57 112.42 3bws h LYS 380 Ca 0.00 -0.30 -0.63 0.00 -1.27 0.00 0.00 60.65 58.45 3bws h LYS 380 Cb 0.00 0.04 -0.24 0.00 -0.41 0.00 0.00 32.23 31.62 3bws h LYS 380 CO 0.00 0.91 -0.85 0.71 -2.27 0.00 0.00 179.45 177.94 3bws s TYR 381 N -3.93 2.05 -0.22 1.91 2.02 -1.26 -1.83 117.35 116.09 3bws s TYR 381 Ca -0.06 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.20 3bws s TYR 381 Cb 0.11 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.50 3bws s TYR 381 CO 0.83 0.20 -0.02 -1.17 -1.57 0.00 0.00 175.55 173.82 3bws s LEU 382 N -1.64 3.05 -0.03 -1.29 2.96 -0.28 -0.68 118.68 120.77 3bws s LEU 382 Ca 0.10 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.57 3bws s LEU 382 Cb -0.10 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 3bws s LEU 382 CO 0.04 0.01 0.33 -0.31 -1.32 0.00 0.00 176.35 175.10 3bws s TYR 383 N 1.33 3.69 -0.06 5.38 2.02 0.18 -0.71 117.35 129.18 3bws s TYR 383 Ca 0.04 0.86 0.01 0.00 -0.37 0.00 0.00 57.07 57.61 3bws s TYR 383 Cb -0.14 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.25 3bws s TYR 383 CO -0.01 0.67 -0.07 0.08 -1.57 0.00 0.00 175.55 174.65 3bws s VAL 384 N -1.08 0.75 -0.11 0.71 1.01 -0.07 -1.13 120.40 120.49 3bws s VAL 384 Ca 0.22 -0.23 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 3bws s VAL 384 Cb -0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3bws s VAL 384 CO 0.11 0.28 0.52 -0.55 0.00 0.00 0.00 175.10 175.46 3bws s SER 385 N 0.94 6.75 -0.22 3.32 0.15 -0.23 -1.08 113.70 123.33 3bws s SER 385 Ca -0.10 0.90 -0.02 0.00 0.70 0.00 0.00 55.95 57.43 3bws s SER 385 Cb -0.15 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 3bws s SER 385 CO 0.00 -0.02 -0.10 0.00 1.20 0.00 0.00 173.24 174.33 3bws h ARG 387 N 8.03 0.00 0.00 0.00 2.43 -0.65 -1.74 114.38 122.45 3bws h ARG 387 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3bws h ARG 387 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3bws h ARG 387 CO 0.61 0.19 0.00 0.41 -1.51 0.00 0.00 179.97 179.67 3bws n GLY 388 N -0.80 1.62 3.76 2.80 0.00 -0.77 -3.72 105.19 108.08 3bws n GLY 388 Ca -0.02 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3bws n GLY 388 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bws s PRO 389 N -2.40 4.28 0.46 1.61 0.04 -1.26 -4.43 135.00 133.30 3bws s PRO 389 Ca 0.00 2.31 -0.25 0.00 0.04 0.00 0.00 61.00 63.10 3bws s PRO 389 Cb 0.00 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.39 3bws s PRO 389 CO 0.00 -0.34 1.41 0.09 0.04 0.00 0.00 177.00 178.21 3bws n ASN 390 N 1.33 3.20 -4.57 6.66 3.02 -1.26 -4.61 115.26 119.04 3bws n ASN 390 Ca 0.03 1.10 -0.55 0.00 -0.03 0.00 0.00 54.58 55.14 3bws n ASN 390 Cb 0.41 -1.59 -0.07 0.00 -0.61 0.00 0.00 39.78 37.92 3bws n ASN 390 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3bws n HIS 391 N -0.30 1.28 0.13 3.10 -0.00 -1.24 -4.81 115.22 113.38 3bws n HIS 391 Ca 0.06 0.77 0.03 0.00 0.46 0.00 0.00 57.72 59.04 3bws n HIS 391 Cb 0.42 -2.26 0.42 0.00 -0.12 0.00 0.00 29.99 28.44 3bws n HIS 391 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3bws h PRO 392 N 4.22 0.23 0.01 1.57 0.11 -1.91 -2.01 132.00 134.22 3bws h PRO 392 Ca -0.49 -0.04 -0.40 0.00 0.11 0.00 0.00 66.00 65.18 3bws h PRO 392 Cb 1.36 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.37 3bws h PRO 392 CO 0.75 0.33 -2.46 0.25 -0.21 0.00 0.00 178.00 176.66 3bws n THR 393 N -4.32 1.51 1.04 -1.15 -2.24 -1.26 -4.73 114.28 103.13 3bws n THR 393 Ca -0.01 -0.55 0.11 0.00 -2.27 0.00 0.00 64.05 61.34 3bws n THR 393 Cb 0.23 -1.50 0.05 0.00 -2.10 0.00 0.00 70.33 67.01 3bws n THR 393 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bws n GLU 394 N -3.41 0.69 -0.29 -0.78 1.02 -1.22 -5.07 120.64 111.59 3bws n GLU 394 Ca -0.46 -0.54 0.04 0.00 -0.02 0.00 0.00 57.16 56.18 3bws n GLU 394 Cb 0.98 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.90 3bws n GLU 394 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bws n GLY 395 N 1.44 -1.93 0.07 0.62 0.00 -0.76 -4.46 105.19 100.17 3bws n GLY 395 Ca 0.08 -1.34 0.11 0.00 0.00 0.00 0.00 46.02 44.86 3bws n GLY 395 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3bws n TYR 396 N -1.51 0.48 0.80 1.61 4.11 -1.26 -2.48 117.16 118.91 3bws n TYR 396 Ca 0.00 0.18 0.10 0.00 -0.00 0.00 0.00 57.90 58.19 3bws n TYR 396 Cb 0.13 -0.79 0.48 0.00 -0.00 0.00 0.00 39.34 39.15 3bws n TYR 396 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3bws n LEU 397 N -1.93 0.00 -4.41 -3.48 4.77 -1.26 -4.72 117.00 105.96 3bws n LEU 397 Ca 0.03 0.46 -0.32 0.00 -0.03 0.00 0.00 56.01 56.15 3bws n LEU 397 Cb 0.24 -0.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.73 3bws n LEU 397 CO 0.19 -0.12 -0.50 -0.75 -1.33 0.00 0.00 177.39 174.88 3bws s LYS 398 N -2.92 2.30 0.05 3.23 2.47 -1.04 -5.08 119.74 118.75 3bws s LYS 398 Ca 0.12 -0.82 -0.38 0.00 -1.56 0.00 0.00 55.97 53.33 3bws s LYS 398 Cb 0.14 -2.22 -0.18 0.00 -1.46 0.00 0.00 37.83 34.10 3bws s LYS 398 CO 0.38 0.59 1.18 1.63 0.16 0.00 0.00 175.35 179.29 3bws n LYS 399 N 2.28 0.54 -1.36 4.03 5.02 -1.26 -4.45 118.16 122.96 3bws n LYS 399 Ca -0.17 0.20 -0.29 0.00 -2.02 0.00 0.00 58.31 56.03 3bws n LYS 399 Cb 0.52 -1.75 0.14 0.00 -0.02 0.00 0.00 35.03 33.92 3bws n LYS 399 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bws s GLY 400 N 0.20 1.59 0.00 0.72 0.00 -1.26 -4.71 107.32 103.85 3bws s GLY 400 Ca 0.87 -0.34 0.26 0.00 0.00 0.00 0.00 44.72 45.51 3bws s GLY 400 CO 0.52 0.21 1.72 1.04 0.00 0.00 0.00 173.10 176.59 3bws n LEU 401 N -3.87 1.37 -3.79 0.66 4.77 -1.26 -4.82 117.00 110.05 3bws n LEU 401 Ca 0.06 -0.50 -0.14 0.00 -0.03 0.00 0.00 56.01 55.40 3bws n LEU 401 Cb 0.57 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 3bws n LEU 401 CO 0.57 0.25 -0.35 -0.69 -1.33 0.00 0.00 177.39 175.84 3bws s VAL 402 N -1.93 -0.05 0.50 4.08 1.01 -1.26 -4.92 120.40 117.83 3bws s VAL 402 Ca 0.37 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 3bws s VAL 402 Cb 0.20 -0.07 -0.08 0.00 0.00 0.00 0.00 36.38 36.43 3bws s VAL 402 CO 0.31 0.07 1.06 -0.76 0.00 0.00 0.00 175.10 175.78 3bws s LEU 403 N 0.89 3.81 1.14 3.92 1.43 -1.26 -4.64 118.68 123.97 3bws s LEU 403 Ca -0.07 1.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.82 3bws s LEU 403 Cb -0.11 -4.56 0.26 0.00 0.03 0.00 0.00 46.19 41.81 3bws s LEU 403 CO -0.02 -0.89 1.15 -0.83 0.23 0.00 0.00 176.35 175.99 3bws s GLY 404 N -1.97 1.62 0.05 -3.19 0.00 -0.30 -4.75 107.32 98.78 3bws s GLY 404 Ca 0.68 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 3bws s GLY 404 CO 0.22 -0.13 -0.03 0.54 0.00 0.00 0.00 173.10 173.70 3bws s LYS 405 N -5.49 0.60 -0.06 2.90 1.02 -0.65 -0.79 119.74 117.27 3bws s LYS 405 Ca 0.71 -1.19 0.05 0.00 0.02 0.00 0.00 55.97 55.56 3bws s LYS 405 Cb -0.09 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.39 3bws s LYS 405 CO 0.55 -0.10 -0.21 0.08 -0.92 0.00 0.00 175.35 174.75 3bws s VAL 406 N -3.76 2.45 0.06 3.17 1.01 0.05 -0.72 120.40 122.66 3bws s VAL 406 Ca 0.06 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.20 3bws s VAL 406 Cb 0.07 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3bws s VAL 406 CO -0.09 0.57 -0.25 -0.31 0.00 0.00 0.00 175.10 175.01 3bws s TYR 407 N -0.32 2.35 -0.16 5.22 2.02 -0.24 -1.58 117.35 124.64 3bws s TYR 407 Ca 0.02 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3bws s TYR 407 Cb -0.13 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3bws s TYR 407 CO 0.02 0.18 -0.21 0.08 -1.57 0.00 0.00 175.55 174.06 3bws s VAL 408 N -0.87 2.08 -0.14 0.71 1.01 0.41 -0.89 120.40 122.72 3bws s VAL 408 Ca 0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3bws s VAL 408 Cb -0.10 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3bws s VAL 408 CO 0.03 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 3bws s ILE 409 N 1.06 3.06 -0.26 2.22 1.01 0.11 -0.51 121.20 127.89 3bws s ILE 409 Ca -0.01 -0.65 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 3bws s ILE 409 Cb -0.14 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.04 3bws s ILE 409 CO -0.07 0.51 1.10 -0.62 0.00 0.00 0.00 174.94 175.86 3bws s ASP 410 N 0.51 6.98 0.47 3.58 -1.08 -0.23 -1.12 116.67 125.78 3bws s ASP 410 Ca -0.08 1.28 0.26 0.00 -0.52 0.00 0.00 52.55 53.48 3bws s ASP 410 Cb -0.16 -2.54 0.63 0.00 -1.46 0.00 0.00 42.92 39.39 3bws s ASP 410 CO 0.04 -0.80 1.71 0.71 0.52 0.00 0.00 175.17 177.36 3bws h THR 411 N 5.61 0.03 -0.33 1.71 1.35 -1.63 0.36 112.91 120.01 3bws h THR 411 Ca -0.21 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 64.73 3bws h THR 411 Cb 1.07 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.35 3bws h THR 411 CO 1.00 0.02 0.12 0.74 -0.25 0.00 0.00 175.52 177.16 3bws h THR 412 N 0.00 1.19 0.00 6.82 2.02 -1.89 -3.27 112.91 117.78 3bws h THR 412 Ca -0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3bws h THR 412 Cb 0.87 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3bws h THR 412 CO 0.00 0.20 -1.11 0.35 0.37 0.00 0.00 175.52 175.33 3bws n THR 413 N -4.70 0.00 -3.93 3.16 -2.24 -1.16 -4.99 114.28 100.42 3bws n THR 413 Ca -0.02 -0.10 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 3bws n THR 413 Cb 0.14 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 3bws n THR 413 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3bws n ASP 414 N -1.60 -0.42 -4.23 3.42 8.00 0.13 -5.01 116.55 116.84 3bws n ASP 414 Ca 0.03 -1.00 -0.16 0.00 0.71 0.00 0.00 54.79 54.36 3bws n ASP 414 Cb 0.35 -3.12 -0.11 0.00 -0.02 0.00 0.00 41.12 38.23 3bws n ASP 414 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3bws s THR 415 N -3.94 1.21 -0.06 -3.53 -4.23 -1.13 -4.84 115.64 99.13 3bws s THR 415 Ca 0.01 -1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 58.48 3bws s THR 415 Cb -0.00 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 3bws s THR 415 CO 0.88 -0.50 1.34 -0.69 -0.54 0.00 0.00 174.62 175.11 3bws s VAL 416 N -2.38 3.99 -0.17 2.29 1.01 -1.26 -1.06 120.40 122.82 3bws s VAL 416 Ca 0.09 1.30 -0.23 0.00 0.00 0.00 0.00 61.98 63.14 3bws s VAL 416 Cb -0.03 -3.84 -0.23 0.00 0.00 0.00 0.00 36.38 32.28 3bws s VAL 416 CO 0.02 -0.04 0.44 0.50 0.00 0.00 0.00 175.10 176.02 3bws h LYS 417 N 8.00 0.05 -3.66 2.72 3.64 -1.13 -3.46 116.57 122.73 3bws h LYS 417 Ca -0.34 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 3bws h LYS 417 Cb 1.16 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.88 3bws h LYS 417 CO 0.92 1.04 -0.21 -1.83 -2.27 0.00 0.00 179.45 177.09 3bws s GLU 418 N -2.34 1.11 0.15 1.90 -1.05 -1.11 -5.03 118.70 112.33 3bws s GLU 418 Ca -0.24 -0.97 -0.19 0.00 -0.15 0.00 0.00 54.97 53.42 3bws s GLU 418 Cb 0.03 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.18 3bws s GLU 418 CO 0.66 -0.42 0.49 -0.59 0.95 0.00 0.00 175.26 176.35 3bws s PHE 419 N -3.89 -0.29 0.20 4.83 -0.71 -1.26 -0.44 117.98 116.41 3bws s PHE 419 Ca 0.10 -0.00 -0.17 0.00 -1.04 0.00 0.00 56.93 55.81 3bws s PHE 419 Cb 0.03 0.38 0.03 0.00 -1.21 0.00 0.00 43.02 42.25 3bws s PHE 419 CO -0.06 -0.80 0.53 1.67 -1.34 0.00 0.00 175.22 175.22 3bws s TRP 420 N -3.80 -0.11 0.20 3.49 -2.14 -0.61 -4.99 118.94 110.97 3bws s TRP 420 Ca 0.04 -0.23 -0.30 0.00 2.66 0.00 0.00 56.10 58.26 3bws s TRP 420 Cb 0.00 0.39 -0.08 0.00 -3.10 0.00 0.00 33.47 30.69 3bws s TRP 420 CO -0.10 -0.92 0.99 -2.00 -2.66 0.00 0.00 176.95 172.25 3bws s GLU 421 N -3.88 4.75 0.00 3.25 2.12 -1.26 -0.77 118.70 122.92 3bws s GLU 421 Ca 0.09 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.97 3bws s GLU 421 Cb -0.01 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.08 3bws s GLU 421 CO -0.02 0.33 0.00 0.00 -0.54 0.00 0.00 175.26 175.03 3bws n ALA 422 N 1.97 0.00 -2.02 6.30 0.00 0.03 -4.89 120.51 121.91 3bws n ALA 422 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bws n ALA 422 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 3bws n ALA 422 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bws n GLY 423 N 4.71 1.97 3.62 0.00 0.00 -1.26 -4.46 105.19 109.78 3bws n GLY 423 Ca 0.00 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 3bws n GLY 423 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bws s ASN 424 N -0.97 6.80 -0.92 1.61 0.01 -1.26 -1.15 114.94 119.06 3bws s ASN 424 Ca 0.00 0.80 -0.04 0.00 -0.71 0.00 0.00 52.86 52.91 3bws s ASN 424 Cb 0.00 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.07 3bws s ASN 424 CO 0.00 -1.04 0.83 0.00 -1.51 0.00 0.00 177.10 175.38 3bws n GLN 425 N 7.28 -1.90 -1.63 -0.60 6.02 -1.24 -2.44 117.38 122.86 3bws n GLN 425 Ca 0.12 1.04 -0.48 0.00 -0.01 0.00 0.00 57.00 57.67 3bws n GLN 425 Cb 0.48 -5.69 -0.05 0.00 1.02 0.00 0.00 30.24 26.00 3bws n GLN 425 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3bws n PRO 426 N -2.73 1.70 0.11 -1.09 -0.02 -1.26 -1.22 135.00 130.50 3bws n PRO 426 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3bws n PRO 426 Cb 0.58 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3bws n PRO 426 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3bws n THR 427 N 2.85 0.32 -2.52 3.45 -1.04 0.45 -3.64 114.28 114.16 3bws n THR 427 Ca 0.17 0.11 -0.35 0.00 -2.04 0.00 0.00 64.05 61.93 3bws n THR 427 Cb 0.25 -0.82 -0.03 0.00 -1.82 0.00 0.00 70.33 67.91 3bws n THR 427 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3bws s GLY 428 N -4.74 2.64 -0.23 3.41 0.00 -1.23 -3.79 107.32 103.38 3bws s GLY 428 Ca 0.00 0.68 -0.15 0.00 0.00 0.00 0.00 44.72 45.25 3bws s GLY 428 CO 0.00 1.06 0.58 -2.27 0.00 0.00 0.00 173.10 172.47 3bws s LEU 429 N -3.06 -0.51 0.19 0.66 0.20 -1.26 -1.22 118.68 113.67 3bws s LEU 429 Ca 0.63 1.25 -0.13 0.00 0.69 0.00 0.00 54.13 56.56 3bws s LEU 429 Cb -0.20 1.99 0.01 0.00 -0.43 0.00 0.00 46.19 47.56 3bws s LEU 429 CO 0.25 -0.22 0.42 -0.62 -0.29 0.00 0.00 176.35 175.88 3bws s ASP 430 N 1.20 -0.11 0.01 3.68 2.15 -0.53 -4.67 116.67 118.40 3bws s ASP 430 Ca -0.07 -0.68 0.08 0.00 0.43 0.00 0.00 52.55 52.31 3bws s ASP 430 Cb -0.06 0.52 -0.02 0.00 -0.30 0.00 0.00 42.92 43.06 3bws s ASP 430 CO -0.12 -0.99 -0.24 0.54 -0.17 0.00 0.00 175.17 174.19 3bws s VAL 431 N -3.92 1.93 0.43 1.11 0.11 -1.26 -1.06 120.40 117.74 3bws s VAL 431 Ca 0.13 -1.18 -0.24 0.00 -2.93 0.00 0.00 61.98 57.77 3bws s VAL 431 Cb 0.01 -1.63 -0.08 0.00 -1.53 0.00 0.00 36.38 33.15 3bws s VAL 431 CO -0.01 0.42 1.15 -0.94 -3.33 0.00 0.00 175.10 172.39 3bws s SER 432 N -0.91 6.40 0.29 3.54 1.04 0.03 -4.76 113.70 119.33 3bws s SER 432 Ca 0.10 2.28 0.17 0.00 0.48 0.00 0.00 55.95 58.97 3bws s SER 432 Cb -0.09 -2.60 0.90 0.00 0.10 0.00 0.00 66.02 64.32 3bws s SER 432 CO 0.01 -0.75 1.47 -0.81 0.98 0.00 0.00 173.24 174.13 3bws n PRO 433 N -0.20 0.11 -0.40 4.02 -0.04 -1.26 -0.94 135.00 136.28 3bws n PRO 433 Ca 0.06 0.59 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 3bws n PRO 433 Cb 0.48 -1.96 0.33 0.00 -0.04 0.00 0.00 33.50 32.30 3bws n PRO 433 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3bws n ASP 434 N -2.10 4.05 0.00 3.54 5.75 -1.26 -4.83 116.55 121.70 3bws n ASP 434 Ca -0.01 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 3bws n ASP 434 Cb 0.13 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3bws n ASP 434 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3bws n ASN 435 N 1.61 0.00 -0.02 -1.12 3.02 -0.12 -4.91 115.26 113.72 3bws n ASN 435 Ca 0.25 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.64 3bws n ASN 435 Cb 0.65 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 38.97 3bws n ASN 435 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3bws h ARG 436 N 1.68 0.38 -6.55 3.52 2.43 -1.81 -3.42 114.38 110.62 3bws h ARG 436 Ca 0.00 -0.33 -0.69 0.00 -0.81 0.00 0.00 59.98 58.14 3bws h ARG 436 Cb 0.00 0.08 -0.26 0.00 -0.42 0.00 0.00 29.97 29.36 3bws h ARG 436 CO 0.00 0.98 -0.84 0.71 -1.51 0.00 0.00 179.97 179.31 3bws s TYR 437 N -3.53 2.47 -0.12 2.20 2.02 -1.26 -1.23 117.35 117.90 3bws s TYR 437 Ca -0.14 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 3bws s TYR 437 Cb 0.04 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 3bws s TYR 437 CO 0.79 0.10 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.55 3bws s LEU 438 N -0.90 2.57 -0.03 -1.29 2.96 -0.06 -0.79 118.68 121.14 3bws s LEU 438 Ca 0.12 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3bws s LEU 438 Cb -0.10 -1.56 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 3bws s LEU 438 CO 0.01 0.17 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.37 3bws s VAL 439 N 0.31 1.21 0.14 1.68 1.01 -0.22 -0.51 120.40 124.02 3bws s VAL 439 Ca -0.12 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.33 3bws s VAL 439 Cb -0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3bws s VAL 439 CO 0.06 0.35 -0.19 0.27 0.00 0.00 0.00 175.10 175.60 3bws s ILE 440 N -0.05 1.77 -0.17 2.22 -5.25 -0.90 -1.46 121.20 117.36 3bws s ILE 440 Ca -0.00 -1.79 -0.08 0.00 -0.99 0.00 0.00 60.65 57.79 3bws s ILE 440 Cb -0.09 -1.74 -0.04 0.00 2.95 0.00 0.00 42.46 43.54 3bws s ILE 440 CO 0.01 -0.24 0.09 -0.94 -1.79 0.00 0.00 174.94 172.07 3bws s SER 441 N -2.41 5.85 -0.82 4.36 1.04 -0.36 -1.59 113.70 119.78 3bws s SER 441 Ca 0.12 0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.53 3bws s SER 441 Cb -0.07 -1.97 0.10 0.00 0.10 0.00 0.00 66.02 64.18 3bws s SER 441 CO 0.06 0.22 1.06 -1.81 0.98 0.00 0.00 173.24 173.75 3bws s ASP 442 N 0.08 6.44 0.23 7.02 1.01 -0.57 -0.41 116.67 130.47 3bws s ASP 442 Ca 0.07 -1.62 -0.07 0.00 0.71 0.00 0.00 52.55 51.64 3bws s ASP 442 Cb -0.12 -2.41 0.34 0.00 1.01 0.00 0.00 42.92 41.75 3bws s ASP 442 CO 0.00 -1.22 1.77 0.15 0.21 0.00 0.00 175.17 176.08 3bws h PHE 443 N 9.15 0.60 -0.01 4.23 3.57 -0.90 -1.22 116.94 132.36 3bws h PHE 443 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3bws h PHE 443 Cb 1.04 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3bws h PHE 443 CO 1.08 0.20 -0.23 1.28 -2.23 0.00 0.00 178.31 178.41 3bws n LEU 444 N -4.89 0.90 -0.61 0.59 4.77 -1.02 -3.59 117.00 113.14 3bws n LEU 444 Ca 0.11 -0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.01 3bws n LEU 444 Cb 0.29 -0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 3bws n LEU 444 CO 0.24 0.17 0.44 0.47 -1.33 0.00 0.00 177.39 177.37 3bws n ASP 445 N -0.73 2.21 -3.61 -1.43 8.00 -0.51 -5.00 116.55 115.48 3bws n ASP 445 Ca 0.12 -1.61 -0.23 0.00 0.71 0.00 0.00 54.79 53.79 3bws n ASP 445 Cb 0.33 0.31 0.04 0.00 -0.02 0.00 0.00 41.12 41.78 3bws n ASP 445 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3bws n HIS 446 N 0.32 -2.02 -3.72 1.24 8.25 -0.88 -4.91 115.22 113.50 3bws n HIS 446 Ca 0.11 0.72 -0.07 0.00 -0.26 0.00 0.00 57.72 58.22 3bws n HIS 446 Cb 0.49 -4.03 -0.02 0.00 1.12 0.00 0.00 29.99 27.55 3bws n HIS 446 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3bws s GLN 447 N -5.66 1.47 0.19 -0.41 -2.07 -1.23 -0.75 119.66 111.19 3bws s GLN 447 Ca 0.24 -0.75 0.11 0.00 -1.82 0.00 0.00 55.36 53.14 3bws s GLN 447 Cb -0.07 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 3bws s GLN 447 CO 0.81 -0.67 -0.20 0.96 -1.32 0.00 0.00 175.29 174.87 3bws s ILE 448 N -3.67 2.56 -0.09 3.63 -4.36 0.01 -1.51 121.20 117.77 3bws s ILE 448 Ca 0.09 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 3bws s ILE 448 Cb -0.04 -2.24 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 3bws s ILE 448 CO 0.01 -0.13 -0.15 -0.13 0.24 0.00 0.00 174.94 174.78 3bws s ARG 449 N -2.74 2.95 -0.16 0.37 0.52 -0.62 -1.56 118.95 117.70 3bws s ARG 449 Ca 0.22 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.69 3bws s ARG 449 Cb -0.08 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 3bws s ARG 449 CO 0.11 0.40 -0.06 0.08 0.02 0.00 0.00 175.30 175.84 3bws s VAL 450 N -0.14 3.58 0.17 3.52 1.01 0.74 -2.12 120.40 127.17 3bws s VAL 450 Ca -0.01 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3bws s VAL 450 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3bws s VAL 450 CO 0.03 0.49 -0.20 -0.31 0.00 0.00 0.00 175.10 175.12 3bws s TYR 451 N 0.52 1.94 -0.12 5.22 2.02 0.33 0.04 117.35 127.31 3bws s TYR 451 Ca -0.05 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 3bws s TYR 451 Cb -0.15 -0.97 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 3bws s TYR 451 CO 0.03 0.36 -0.22 0.50 -1.57 0.00 0.00 175.55 174.65 3bws s ARG 452 N -2.68 2.92 0.00 -0.62 3.52 -0.16 -0.88 118.95 121.06 3bws s ARG 452 Ca 0.16 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.63 3bws s ARG 452 Cb -0.07 -2.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.98 3bws s ARG 452 CO 0.07 0.08 1.28 0.50 -0.81 0.00 0.00 175.30 176.42 3bws s ARG 453 N 0.60 4.34 0.22 5.12 3.52 -0.37 -1.18 118.95 131.20 3bws s ARG 453 Ca -0.13 1.82 -0.32 0.00 -0.13 0.00 0.00 55.73 56.98 3bws s ARG 453 Cb -0.17 -3.50 -0.14 0.00 -1.56 0.00 0.00 34.95 29.58 3bws s ARG 453 CO 0.03 -0.45 1.30 -0.25 -0.81 0.00 0.00 175.30 175.13 3bws n ASP 454 N 4.91 2.18 0.00 -2.12 8.00 -0.08 -2.11 116.55 127.33 3bws n ASP 454 Ca 0.11 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.76 3bws n ASP 454 Cb 0.45 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 3bws n ASP 454 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bws n GLY 455 N 2.06 1.03 0.00 0.44 0.00 -1.26 -5.06 105.19 102.39 3bws n GLY 455 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3bws n GLY 455 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01