#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4u s ARG 3 N 0.00 0.11 -0.66 0.00 6.06 -0.93 -3.89 118.95 119.63 1b4u s ARG 3 Ca 0.00 -0.13 -0.25 0.00 -2.50 0.00 0.00 55.73 52.85 1b4u s ARG 3 Cb 0.00 0.04 0.05 0.00 0.06 0.00 0.00 34.95 35.10 1b4u s ARG 3 CO 0.00 -0.02 1.08 0.08 -2.50 0.00 0.00 175.30 173.94 1b4u s VAL 4 N -0.38 4.11 -0.06 7.11 1.01 -1.26 -1.27 120.40 129.66 1b4u s VAL 4 Ca -0.04 0.10 0.13 0.00 0.00 0.00 0.00 61.98 62.17 1b4u s VAL 4 Cb -0.03 -4.74 -0.23 0.00 0.00 0.00 0.00 36.38 31.39 1b4u s VAL 4 CO -0.00 -1.52 0.62 0.35 0.00 0.00 0.00 175.10 174.55 1b4u n THR 5 N 6.18 1.56 -3.79 3.92 -2.24 -0.36 -4.90 114.28 114.65 1b4u n THR 5 Ca 0.00 -0.79 -0.13 0.00 -2.27 0.00 0.00 64.05 60.86 1b4u n THR 5 Cb 0.47 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.64 1b4u n THR 5 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1b4u s THR 6 N -2.61 0.04 -0.18 4.28 -1.32 -1.25 -4.34 115.64 110.26 1b4u s THR 6 Ca -0.05 -0.31 -0.02 0.00 -1.21 0.00 0.00 61.69 60.10 1b4u s THR 6 Cb 0.08 -0.49 -0.01 0.00 -1.51 0.00 0.00 72.50 70.57 1b4u s THR 6 CO 0.82 -0.17 -0.10 -0.83 -2.21 0.00 0.00 174.62 172.13 1b4u s GLY 7 N -0.71 1.55 -0.01 6.08 0.00 -0.50 -2.21 107.32 111.52 1b4u s GLY 7 Ca -0.08 -1.08 0.07 0.00 0.00 0.00 0.00 44.72 43.63 1b4u s GLY 7 CO 0.02 0.19 -0.22 -0.42 0.00 0.00 0.00 173.10 172.67 1b4u s ILE 8 N 1.05 1.75 0.26 0.90 1.01 -0.93 -0.37 121.20 124.87 1b4u s ILE 8 Ca -0.00 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.76 1b4u s ILE 8 Cb -0.15 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1b4u s ILE 8 CO -0.02 0.46 -0.04 0.42 0.00 0.00 0.00 174.94 175.77 1b4u s THR 9 N -0.56 3.30 -0.24 2.92 -4.23 -0.68 -0.96 115.64 115.19 1b4u s THR 9 Ca 0.09 -1.97 -0.27 0.00 -1.18 0.00 0.00 61.69 58.36 1b4u s THR 9 Cb -0.09 -2.76 0.12 0.00 1.34 0.00 0.00 72.50 71.12 1b4u s THR 9 CO -0.00 -0.37 1.02 -0.55 -0.54 0.00 0.00 174.62 174.18 1b4u s SER 10 N -3.61 -0.43 0.62 3.99 0.15 -0.92 -1.71 113.70 111.79 1b4u s SER 10 Ca 0.31 0.73 -0.15 0.00 0.70 0.00 0.00 55.95 57.54 1b4u s SER 10 Cb -0.06 0.70 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1b4u s SER 10 CO 0.19 -0.21 1.07 -0.55 1.20 0.00 0.00 173.24 174.93 1b4u s SER 11 N -0.18 5.60 -0.17 5.45 0.15 -0.73 -0.95 113.70 122.87 1b4u s SER 11 Ca 0.02 1.81 0.16 0.00 0.70 0.00 0.00 55.95 58.64 1b4u s SER 11 Cb -0.04 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.19 1b4u s SER 11 CO -0.04 -1.29 1.19 0.00 1.20 0.00 0.00 173.24 174.30 1b4u n HIS 12 N -2.28 0.66 -1.83 3.44 1.44 -1.26 -4.56 115.22 110.83 1b4u n HIS 12 Ca 0.09 -1.43 -0.42 0.00 -2.01 0.00 0.00 57.72 53.95 1b4u n HIS 12 Cb 0.53 -0.23 -0.03 0.00 0.12 0.00 0.00 29.99 30.37 1b4u n HIS 12 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1b4u s ILE 13 N -2.63 2.36 0.37 0.61 -4.36 -1.26 -4.59 121.20 111.70 1b4u s ILE 13 Ca 0.38 0.23 0.04 0.00 -0.26 0.00 0.00 60.65 61.04 1b4u s ILE 13 Cb 0.38 -3.15 0.27 0.00 1.25 0.00 0.00 42.46 41.21 1b4u s ILE 13 CO -0.07 0.02 2.01 -0.65 0.24 0.00 0.00 174.94 176.48 1b4u h PRO 14 N 6.94 0.74 0.00 0.37 0.11 -1.98 -1.56 132.00 136.62 1b4u h PRO 14 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1b4u h PRO 14 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1b4u h PRO 14 CO 0.94 0.49 0.02 0.00 -0.21 0.00 0.00 178.00 179.24 1b4u h ALA 15 N 1.63 1.02 -0.28 -0.75 0.00 -1.97 0.13 119.26 119.04 1b4u h ALA 15 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1b4u h ALA 15 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1b4u h ALA 15 CO -0.06 -0.02 -0.22 -0.07 0.00 0.00 0.00 179.25 178.88 1b4u h LEU 16 N 0.00 0.68 -0.68 0.00 3.38 -1.64 0.39 115.31 117.44 1b4u h LEU 16 Ca 0.00 -0.45 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 1b4u h LEU 16 Cb 0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1b4u h LEU 16 CO 0.00 0.99 -0.61 1.23 0.09 0.00 0.00 178.44 180.14 1b4u h GLY 17 N 0.38 0.00 1.08 0.83 0.00 -0.89 -2.87 103.07 101.61 1b4u h GLY 17 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.20 1b4u h GLY 17 CO 0.06 0.00 -0.55 0.00 0.00 0.00 0.00 176.54 176.05 1b4u h ALA 18 N 1.39 0.37 -0.75 3.60 0.00 -1.26 -1.81 119.26 120.80 1b4u h ALA 18 Ca -0.01 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.50 1b4u h ALA 18 Cb 1.14 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1b4u h ALA 18 CO 0.08 0.59 0.49 0.00 0.00 0.00 0.00 179.25 180.41 1b4u h ALA 19 N 0.62 1.88 -0.37 0.00 0.00 -0.80 -1.57 119.26 119.02 1b4u h ALA 19 Ca -0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1b4u h ALA 19 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1b4u h ALA 19 CO 0.12 -0.05 -0.15 0.82 0.00 0.00 0.00 179.25 179.99 1b4u h ILE 20 N 0.60 1.28 -0.38 0.00 2.04 -1.23 -0.84 117.51 118.99 1b4u h ILE 20 Ca 0.35 -1.27 -0.11 0.00 1.00 0.00 0.00 64.86 64.83 1b4u h ILE 20 Cb 0.55 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1b4u h ILE 20 CO -0.13 0.42 -0.23 1.56 0.00 0.00 0.00 178.15 179.77 1b4u h GLN 21 N 0.54 0.75 -0.02 2.37 4.20 -0.46 -2.50 115.11 120.00 1b4u h GLN 21 Ca 0.08 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1b4u h GLN 21 Cb 0.69 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1b4u h GLN 21 CO 0.05 0.91 -0.03 0.25 -0.67 0.00 0.00 178.83 179.35 1b4u n THR 22 N -4.11 0.00 -1.58 -0.54 -2.24 -0.90 -4.95 114.28 99.96 1b4u n THR 22 Ca 0.00 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1b4u n THR 22 Cb 0.43 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.28 1b4u n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b4u n GLY 23 N 1.21 0.53 0.52 3.38 0.00 -0.80 -4.90 105.19 105.13 1b4u n GLY 23 Ca 0.18 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.57 1b4u n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b4u n THR 24 N -3.33 2.09 0.34 2.61 -2.24 -0.39 -4.65 114.28 108.70 1b4u n THR 24 Ca -0.06 -2.04 0.08 0.00 -2.27 0.00 0.00 64.05 59.76 1b4u n THR 24 Cb 0.35 -0.23 0.35 0.00 -2.10 0.00 0.00 70.33 68.70 1b4u n THR 24 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b4u n SER 25 N -0.91 0.28 -1.20 3.42 3.41 -1.12 -1.25 113.62 116.25 1b4u n SER 25 Ca 0.19 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.47 1b4u n SER 25 Cb 0.77 -0.64 0.29 0.00 -0.26 0.00 0.00 64.21 64.37 1b4u n SER 25 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1b4u n ASP 26 N -1.83 4.14 -2.24 4.04 5.75 -1.26 -3.20 116.55 121.95 1b4u n ASP 26 Ca 0.02 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 1b4u n ASP 26 Cb 0.14 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1b4u n ASP 26 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1b4u n ASN 27 N 0.57 -0.18 0.12 -1.12 2.04 -0.38 -4.57 115.26 111.74 1b4u n ASN 27 Ca 0.21 -0.78 -0.03 0.00 -0.44 0.00 0.00 54.58 53.55 1b4u n ASN 27 Cb 0.79 0.00 0.12 0.00 -2.53 0.00 0.00 39.78 38.16 1b4u n ASN 27 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1b4u h ASP 28 N -0.18 0.04 0.11 0.53 3.32 -1.95 0.67 116.42 118.97 1b4u h ASP 28 Ca 0.00 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 1b4u h ASP 28 Cb 0.00 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.56 1b4u h ASP 28 CO 0.00 0.70 -0.71 0.22 -1.72 0.00 0.00 179.24 177.73 1b4u h TYR 29 N 0.02 0.50 0.02 4.55 5.03 -1.92 -3.39 116.97 121.79 1b4u h TYR 29 Ca -0.01 -0.35 -0.27 0.00 2.58 0.00 0.00 58.73 60.68 1b4u h TYR 29 Cb 1.19 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.41 1b4u h TYR 29 CO 0.00 1.26 -1.42 -1.49 -1.32 0.00 0.00 178.16 175.19 1b4u h TRP 30 N -0.39 0.09 -0.76 -3.82 4.06 -1.82 -3.40 115.95 109.91 1b4u h TRP 30 Ca -0.12 -0.06 0.15 0.00 2.06 0.00 0.00 58.89 60.92 1b4u h TRP 30 Cb 1.54 -0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.55 1b4u h TRP 30 CO 0.20 1.08 -0.22 0.78 -3.56 0.00 0.00 178.44 176.72 1b4u h GLY 31 N 2.96 0.46 2.00 1.49 0.00 -0.82 0.96 103.07 110.12 1b4u h GLY 31 Ca -0.18 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1b4u h GLY 31 CO 0.11 -0.28 -0.26 -2.55 0.00 0.00 0.00 176.54 173.56 1b4u h PRO 32 N -0.02 0.00 0.27 4.80 0.11 -1.81 -1.44 132.00 133.91 1b4u h PRO 32 Ca 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 1b4u h PRO 32 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1b4u h PRO 32 CO -0.79 0.26 -0.13 0.28 -0.21 0.00 0.00 178.00 177.41 1b4u h VAL 33 N 0.00 0.72 -0.43 3.15 2.07 -1.06 -2.81 116.25 117.89 1b4u h VAL 33 Ca -0.00 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1b4u h VAL 33 Cb 0.52 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1b4u h VAL 33 CO 0.03 0.14 0.29 -0.26 0.02 0.00 0.00 177.57 177.79 1b4u h PHE 34 N -0.80 0.46 -0.33 1.57 -1.00 -1.25 -2.40 116.94 113.19 1b4u h PHE 34 Ca -0.04 0.01 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 1b4u h PHE 34 Cb 0.51 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 1b4u h PHE 34 CO 0.04 0.27 -0.12 -0.22 -1.61 0.00 0.00 178.31 176.68 1b4u h LYS 35 N 0.48 0.57 0.00 1.51 3.11 -1.28 -2.22 116.57 118.73 1b4u h LYS 35 Ca 0.17 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1b4u h LYS 35 Cb 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1b4u h LYS 35 CO -0.04 0.68 0.00 0.41 -2.81 0.00 0.00 179.45 177.68 1b4u n GLY 36 N -0.59 -1.35 0.03 5.01 0.00 -0.92 -1.62 105.19 105.75 1b4u n GLY 36 Ca 0.01 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1b4u n GLY 36 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b4u n TYR 37 N -2.28 0.21 -0.29 1.61 4.02 -0.86 -4.47 117.16 115.10 1b4u n TYR 37 Ca 0.02 0.06 0.09 0.00 -0.01 0.00 0.00 57.90 58.06 1b4u n TYR 37 Cb 0.26 -0.38 0.32 0.00 -0.02 0.00 0.00 39.34 39.52 1b4u n TYR 37 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1b4u h GLN 38 N 0.00 0.81 0.00 -0.72 5.75 -1.07 -1.02 115.11 118.85 1b4u h GLN 38 Ca 0.00 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1b4u h GLN 38 Cb 0.65 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1b4u h GLN 38 CO 0.00 0.53 -0.26 -1.35 -2.65 0.00 0.00 178.83 175.10 1b4u h PRO 39 N 0.83 0.00 -0.05 -2.39 0.11 -1.78 -0.66 132.00 128.06 1b4u h PRO 39 Ca 0.44 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.36 1b4u h PRO 39 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1b4u h PRO 39 CO -0.20 0.26 -0.68 0.82 -0.21 0.00 0.00 178.00 177.99 1b4u h ILE 40 N 0.00 1.36 -0.57 4.15 2.04 -1.48 -1.00 117.51 122.01 1b4u h ILE 40 Ca -0.00 -2.02 -0.04 0.00 1.00 0.00 0.00 64.86 63.80 1b4u h ILE 40 Cb 0.59 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.99 1b4u h ILE 40 CO 0.03 0.61 0.18 0.03 0.00 0.00 0.00 178.15 179.00 1b4u h ARG 41 N 0.15 0.85 0.00 2.37 3.08 -0.75 -1.30 114.38 118.79 1b4u h ARG 41 Ca -0.07 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 59.64 1b4u h ARG 41 Cb 1.35 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 1b4u h ARG 41 CO 0.14 0.74 -0.90 -0.44 -1.07 0.00 0.00 179.97 178.43 1b4u h ASP 42 N 0.83 0.00 -0.23 7.04 3.32 -1.07 -3.04 116.42 123.27 1b4u h ASP 42 Ca 0.19 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1b4u h ASP 42 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1b4u h ASP 42 CO -0.01 0.90 -0.13 -0.25 -1.72 0.00 0.00 179.24 178.03 1b4u h TRP 43 N 0.00 0.57 0.00 4.55 7.01 -0.84 -3.28 115.95 123.97 1b4u h TRP 43 Ca -0.01 -0.15 -0.07 0.00 2.11 0.00 0.00 58.89 60.78 1b4u h TRP 43 Cb 1.63 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.55 1b4u h TRP 43 CO 0.00 0.78 -0.31 0.97 -2.79 0.00 0.00 178.44 177.09 1b4u h ILE 44 N 0.20 0.69 0.00 2.65 2.10 -1.25 -1.55 117.51 120.35 1b4u h ILE 44 Ca 0.05 -1.44 0.00 0.00 1.08 0.00 0.00 64.86 64.55 1b4u h ILE 44 Cb 0.64 1.94 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 1b4u h ILE 44 CO 0.04 0.31 0.00 2.29 -1.08 0.00 0.00 178.15 179.71 1b4u n LYS 45 N -3.39 0.06 -1.86 2.19 2.85 -1.15 -2.50 118.16 114.36 1b4u n LYS 45 Ca 0.00 0.13 -0.41 0.00 -1.05 0.00 0.00 58.31 56.98 1b4u n LYS 45 Cb 0.51 -1.58 -0.01 0.00 -0.65 0.00 0.00 35.03 33.30 1b4u n LYS 45 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1b4u s GLN 46 N -3.04 4.16 0.09 -1.58 -0.21 -0.59 -4.80 119.66 113.69 1b4u s GLN 46 Ca 0.11 2.50 -0.35 0.00 0.02 0.00 0.00 55.36 57.64 1b4u s GLN 46 Cb 0.15 -3.01 -0.14 0.00 1.00 0.00 0.00 33.01 31.00 1b4u s GLN 46 CO 0.47 -0.50 1.58 -2.30 -2.12 0.00 0.00 175.29 172.42 1b4u n PRO 47 N 1.19 1.90 0.00 2.91 -0.02 -1.26 -0.05 135.00 139.66 1b4u n PRO 47 Ca 0.03 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1b4u n PRO 47 Cb 0.39 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1b4u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b4u n GLY 48 N 3.42 3.23 0.09 -1.23 0.00 -1.26 -4.82 105.19 104.62 1b4u n GLY 48 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 1b4u n GLY 48 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4u n ASN 49 N 0.07 0.65 -4.69 1.61 3.02 0.93 -4.91 115.26 111.94 1b4u n ASN 49 Ca 0.00 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 1b4u n ASN 49 Cb 0.00 0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.49 1b4u n ASN 49 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1b4u s MET 50 N -2.75 4.27 0.54 3.52 1.75 -1.04 -4.89 119.30 120.70 1b4u s MET 50 Ca -0.05 2.00 -0.20 0.00 -1.25 0.00 0.00 55.69 56.19 1b4u s MET 50 Cb 0.08 -3.57 -0.06 0.00 2.84 0.00 0.00 34.83 34.12 1b4u s MET 50 CO 0.83 -0.59 1.13 -1.25 -0.65 0.00 0.00 175.02 174.48 1b4u s PRO 51 N 2.41 3.40 0.11 4.11 0.04 -1.26 -4.93 135.00 138.89 1b4u s PRO 51 Ca 0.65 1.61 -0.12 0.00 0.04 0.00 0.00 61.00 63.17 1b4u s PRO 51 Cb -0.32 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.08 1b4u s PRO 51 CO 0.27 -0.81 1.38 -0.44 0.04 0.00 0.00 177.00 177.44 1b4u h ASP 52 N 1.27 0.94 -3.63 6.66 3.32 -1.28 -3.44 116.42 120.26 1b4u h ASP 52 Ca -0.50 -0.55 -0.24 0.00 0.02 0.00 0.00 57.03 55.76 1b4u h ASP 52 Cb 1.26 -0.27 -0.30 0.00 0.22 0.00 0.00 39.33 40.24 1b4u h ASP 52 CO 0.57 1.32 -0.66 -0.69 -1.72 0.00 0.00 179.24 178.07 1b4u s VAL 53 N -4.06 -0.02 -0.12 -1.35 1.01 -1.16 -2.04 120.40 112.66 1b4u s VAL 53 Ca -0.11 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1b4u s VAL 53 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 1b4u s VAL 53 CO 0.89 0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 175.27 1b4u s VAL 54 N 0.52 3.68 -0.44 2.92 1.01 0.29 -1.77 120.40 126.60 1b4u s VAL 54 Ca -0.04 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 1b4u s VAL 54 Cb -0.06 -2.56 0.05 0.00 0.00 0.00 0.00 36.38 33.81 1b4u s VAL 54 CO -0.02 0.54 0.33 -0.63 0.00 0.00 0.00 175.10 175.32 1b4u s ILE 55 N -0.05 5.03 -0.33 2.22 1.01 0.16 0.13 121.20 129.36 1b4u s ILE 55 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 1b4u s ILE 55 Cb -0.13 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.41 1b4u s ILE 55 CO 0.03 -0.46 0.15 -0.22 0.00 0.00 0.00 174.94 174.44 1b4u s LEU 56 N 1.61 4.28 -0.25 2.97 0.20 0.12 -1.04 118.68 126.58 1b4u s LEU 56 Ca 0.04 -0.80 -0.13 0.00 0.69 0.00 0.00 54.13 53.94 1b4u s LEU 56 Cb -0.22 -1.97 -0.05 0.00 -0.43 0.00 0.00 46.19 43.53 1b4u s LEU 56 CO 0.07 -0.27 0.26 -0.69 -0.29 0.00 0.00 176.35 175.42 1b4u s VAL 57 N 1.54 5.28 0.24 1.68 1.01 -0.24 0.23 120.40 130.14 1b4u s VAL 57 Ca 0.03 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 1b4u s VAL 57 Cb -0.18 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1b4u s VAL 57 CO 0.05 0.26 0.53 -0.72 0.00 0.00 0.00 175.10 175.22 1b4u s TYR 58 N 1.50 0.16 -0.21 5.22 1.13 -0.89 -1.02 117.35 123.23 1b4u s TYR 58 Ca 0.11 -0.54 -0.13 0.00 -1.41 0.00 0.00 57.07 55.10 1b4u s TYR 58 Cb -0.15 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 40.99 1b4u s TYR 58 CO 0.08 -1.02 0.28 0.54 -2.51 0.00 0.00 175.55 172.92 1b4u s ASN 59 N -2.97 6.30 0.37 -0.18 4.22 -1.26 -0.66 114.94 120.77 1b4u s ASN 59 Ca 0.17 0.34 -0.27 0.00 -2.14 0.00 0.00 52.86 50.96 1b4u s ASN 59 Cb -0.02 -2.17 -0.10 0.00 1.28 0.00 0.00 41.25 40.25 1b4u s ASN 59 CO 0.06 0.02 1.32 -0.62 -2.04 0.00 0.00 177.10 175.84 1b4u s ASP 60 N 0.93 6.51 -0.78 3.54 2.15 -1.26 -4.66 116.67 123.09 1b4u s ASP 60 Ca 0.14 2.71 0.00 0.00 0.43 0.00 0.00 52.55 55.83 1b4u s ASP 60 Cb -0.14 -2.65 0.35 0.00 -0.30 0.00 0.00 42.92 40.19 1b4u s ASP 60 CO 0.05 -0.72 1.67 1.41 -0.17 0.00 0.00 175.17 177.41 1b4u n HIS 61 N 0.44 3.14 -3.14 -5.34 8.25 -1.26 -4.71 115.22 112.60 1b4u n HIS 61 Ca 0.02 -2.74 -0.14 0.00 -0.26 0.00 0.00 57.72 54.60 1b4u n HIS 61 Cb 0.42 -0.89 0.07 0.00 1.12 0.00 0.00 29.99 30.72 1b4u n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b4u n ALA 62 N -0.37 -1.94 0.04 -1.41 0.00 -1.26 -4.93 120.51 110.64 1b4u n ALA 62 Ca 0.46 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1b4u n ALA 62 Cb 0.34 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.42 1b4u n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1b4u n SER 63 N -2.90 0.77 0.11 0.00 7.64 -1.26 -4.77 113.62 113.21 1b4u n SER 63 Ca -0.17 0.13 -0.02 0.00 1.01 0.00 0.00 58.87 59.81 1b4u n SER 63 Cb 0.63 -0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1b4u n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b4u h ALA 64 N 0.00 0.62 -3.38 -0.43 0.00 -1.92 -3.44 119.26 110.71 1b4u h ALA 64 Ca 0.00 -0.67 -0.68 0.00 0.00 0.00 0.00 54.91 53.56 1b4u h ALA 64 Cb 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 17.79 17.35 1b4u h ALA 64 CO 0.00 0.92 -0.87 -0.06 0.00 0.00 0.00 179.25 179.24 1b4u s PHE 65 N -3.05 2.58 0.00 0.00 0.08 -1.26 -4.96 117.98 111.36 1b4u s PHE 65 Ca 0.01 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.07 1b4u s PHE 65 Cb 0.10 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 1b4u s PHE 65 CO 0.77 -0.39 0.00 -0.40 -0.10 0.00 0.00 175.22 175.11 1b4u n ASP 66 N 3.48 0.70 0.06 1.36 5.68 -1.26 -4.23 116.55 122.35 1b4u n ASP 66 Ca -0.19 -0.06 0.11 0.00 -0.50 0.00 0.00 54.79 54.15 1b4u n ASP 66 Cb 0.53 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.96 1b4u n ASP 66 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1b4u n MET 67 N -0.04 0.11 0.08 0.11 2.81 -1.26 -3.63 117.12 115.30 1b4u n MET 67 Ca 0.00 0.24 -0.03 0.00 -1.81 0.00 0.00 57.70 56.09 1b4u n MET 67 Cb 0.00 -1.67 -0.07 0.00 -0.71 0.00 0.00 33.22 30.77 1b4u n MET 67 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1b4u h ASN 68 N 0.00 0.00 -3.15 7.83 2.35 -2.02 -3.43 115.58 117.16 1b4u h ASN 68 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 1b4u h ASN 68 Cb 0.45 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.41 1b4u h ASN 68 CO 0.00 0.79 -0.76 -0.63 -1.65 0.00 0.00 177.43 175.18 1b4u s ILE 69 N -2.81 0.29 -0.51 2.81 1.01 -1.24 -5.09 121.20 115.67 1b4u s ILE 69 Ca 0.01 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1b4u s ILE 69 Cb 0.09 -0.92 0.13 0.00 0.01 0.00 0.00 42.46 41.77 1b4u s ILE 69 CO 0.79 -0.31 0.26 -0.63 0.00 0.00 0.00 174.94 175.05 1b4u s ILE 70 N 1.96 2.35 0.22 2.92 1.01 -1.26 -4.24 121.20 124.15 1b4u s ILE 70 Ca 0.02 -3.20 -0.30 0.00 0.00 0.00 0.00 60.65 57.17 1b4u s ILE 70 Cb -0.17 -2.63 -0.08 0.00 0.01 0.00 0.00 42.46 39.59 1b4u s ILE 70 CO -0.12 -0.83 1.11 -2.16 0.00 0.00 0.00 174.94 172.94 1b4u s PRO 71 N -0.20 4.61 0.03 2.79 0.05 -1.26 -5.00 135.00 136.03 1b4u s PRO 71 Ca 0.17 1.76 -0.23 0.00 0.05 0.00 0.00 61.00 62.76 1b4u s PRO 71 Cb -0.25 -3.24 -0.15 0.00 0.05 0.00 0.00 34.50 30.91 1b4u s PRO 71 CO -0.00 0.13 1.43 1.15 0.05 0.00 0.00 177.00 179.76 1b4u h THR 72 N 3.45 1.28 -3.45 1.26 2.02 -1.93 -3.34 112.91 112.19 1b4u h THR 72 Ca -0.45 -0.88 -0.41 0.00 0.77 0.00 0.00 66.41 65.43 1b4u h THR 72 Cb 1.21 1.70 -0.34 0.00 -1.74 0.00 0.00 68.15 68.98 1b4u h THR 72 CO 0.70 0.25 -0.77 -0.36 0.37 0.00 0.00 175.52 175.71 1b4u s PHE 73 N -4.82 0.75 0.16 3.16 0.08 -1.26 -1.91 117.98 114.14 1b4u s PHE 73 Ca -0.15 -0.21 0.03 0.00 0.12 0.00 0.00 56.93 56.73 1b4u s PHE 73 Cb 0.04 -0.67 -0.05 0.00 -0.57 0.00 0.00 43.02 41.78 1b4u s PHE 73 CO 0.70 -0.20 -0.06 0.00 -0.10 0.00 0.00 175.22 175.57 1b4u s ALA 74 N 0.94 1.43 -0.01 5.36 0.00 -0.52 -2.14 121.76 126.82 1b4u s ALA 74 Ca -0.11 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1b4u s ALA 74 Cb -0.14 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.22 1b4u s ALA 74 CO -0.00 -0.19 0.00 -1.50 0.00 0.00 0.00 175.76 174.07 1b4u s ILE 75 N -3.45 0.04 -0.23 0.00 2.07 -0.87 -2.99 121.20 115.76 1b4u s ILE 75 Ca 0.19 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.21 1b4u s ILE 75 Cb 0.04 -0.07 -0.00 0.00 0.13 0.00 0.00 42.46 42.56 1b4u s ILE 75 CO 0.02 0.04 0.86 -0.83 -1.91 0.00 0.00 174.94 173.11 1b4u s GLY 76 N 0.26 1.80 0.00 1.50 0.00 -0.26 -1.24 107.32 109.38 1b4u s GLY 76 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.70 1b4u s GLY 76 CO -0.01 1.84 1.09 0.00 0.00 0.00 0.00 173.10 176.03 1b4u s ALA 78 N -0.94 1.89 0.01 0.00 0.00 -1.25 -4.40 121.76 117.07 1b4u s ALA 78 Ca 0.14 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 1b4u s ALA 78 Cb 0.07 -3.08 -0.29 0.00 0.00 0.00 0.00 23.12 19.83 1b4u s ALA 78 CO 0.10 -2.11 0.90 1.49 0.00 0.00 0.00 175.76 176.14 1b4u h GLU 79 N -1.37 0.29 -5.27 0.00 4.81 -1.90 -3.37 114.58 107.78 1b4u h GLU 79 Ca -0.49 -0.49 -0.40 0.00 -0.13 0.00 0.00 59.36 57.84 1b4u h GLU 79 Cb 1.30 0.18 -0.22 0.00 0.63 0.00 0.00 28.75 30.65 1b4u h GLU 79 CO 0.60 1.17 -0.78 0.99 -0.73 0.00 0.00 179.01 180.27 1b4u s THR 80 N -2.62 1.06 -0.05 0.32 2.01 -1.26 -0.83 115.64 114.27 1b4u s THR 80 Ca -0.09 -1.23 0.02 0.00 0.31 0.00 0.00 61.69 60.71 1b4u s THR 80 Cb 0.07 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.57 1b4u s THR 80 CO 0.87 -0.20 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.14 1b4u s PHE 81 N -1.20 1.12 0.19 4.92 0.40 0.17 -4.81 117.98 118.76 1b4u s PHE 81 Ca -0.02 -0.35 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 1b4u s PHE 81 Cb -0.10 -0.85 -0.07 0.00 0.51 0.00 0.00 43.02 42.51 1b4u s PHE 81 CO 0.02 -0.20 0.61 0.15 0.70 0.00 0.00 175.22 176.51 1b4u s LYS 82 N 0.57 4.04 0.20 0.44 -0.14 -1.26 -1.64 119.74 121.95 1b4u s LYS 82 Ca -0.10 0.59 -0.31 0.00 -1.36 0.00 0.00 55.97 54.78 1b4u s LYS 82 Cb -0.13 -2.85 -0.11 0.00 -1.68 0.00 0.00 37.83 33.06 1b4u s LYS 82 CO 0.02 0.41 1.61 -2.14 -0.76 0.00 0.00 175.35 174.49 1b4u s PRO 83 N -2.12 4.18 0.60 -1.68 0.02 -1.26 -1.28 135.00 133.46 1b4u s PRO 83 Ca 0.41 2.46 -0.17 0.00 0.02 0.00 0.00 61.00 63.72 1b4u s PRO 83 Cb -0.15 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 1b4u s PRO 83 CO 0.20 -0.64 1.14 0.00 -0.33 0.00 0.00 177.00 177.36 1b4u s ALA 84 N 0.96 2.55 -0.45 -1.55 0.00 -0.46 -4.52 121.76 118.29 1b4u s ALA 84 Ca 0.70 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 53.19 1b4u s ALA 84 Cb -0.46 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.32 1b4u s ALA 84 CO 0.34 -1.08 0.72 0.34 0.00 0.00 0.00 175.76 176.08 1b4u s ASP 85 N -2.07 6.37 -0.21 0.00 -1.08 -1.26 -3.85 116.67 114.56 1b4u s ASP 85 Ca 0.71 -0.23 0.14 0.00 -0.52 0.00 0.00 52.55 52.65 1b4u s ASP 85 Cb -0.24 -2.36 0.78 0.00 -1.46 0.00 0.00 42.92 39.64 1b4u s ASP 85 CO 0.34 -0.86 1.68 -0.62 0.52 0.00 0.00 175.17 176.23 1b4u n GLU 86 N 6.52 4.61 0.00 4.34 1.02 -1.26 -4.84 120.64 131.03 1b4u n GLU 86 Ca 0.00 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 1b4u n GLU 86 Cb 0.48 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1b4u n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4u n GLY 87 N 0.66 2.01 0.38 0.62 0.00 -1.26 -4.95 105.19 102.64 1b4u n GLY 87 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.32 1b4u n GLY 87 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1b4u n TRP 88 N 0.00 0.14 0.00 1.61 7.02 -1.26 -5.08 117.44 119.87 1b4u n TRP 88 Ca 0.00 -0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1b4u n TRP 88 Cb 0.00 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 1b4u n TRP 88 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1b4u n GLY 89 N 0.36 0.81 3.66 6.99 0.00 -1.26 -4.97 105.19 110.78 1b4u n GLY 89 Ca 0.06 -1.73 -0.45 0.00 0.00 0.00 0.00 46.02 43.91 1b4u n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b4u n PRO 90 N 0.88 1.97 -1.96 1.61 -0.02 -1.26 -4.32 135.00 131.90 1b4u n PRO 90 Ca 0.00 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 1b4u n PRO 90 Cb 0.00 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.11 1b4u n PRO 90 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1b4u s ARG 91 N -0.35 4.23 -1.61 -0.52 1.81 -1.25 -4.86 118.95 116.41 1b4u s ARG 91 Ca 0.69 2.37 -0.10 0.00 -1.72 0.00 0.00 55.73 56.97 1b4u s ARG 91 Cb -0.67 -3.08 -0.08 0.00 -0.45 0.00 0.00 34.95 30.68 1b4u s ARG 91 CO 0.49 -0.45 2.92 -0.35 -0.68 0.00 0.00 175.30 177.23 1b4u n PRO 92 N 2.05 3.71 -4.42 3.54 -0.04 -1.26 -4.83 135.00 133.75 1b4u n PRO 92 Ca 0.06 -2.26 -0.21 0.00 -0.04 0.00 0.00 63.50 61.04 1b4u n PRO 92 Cb 0.40 -2.81 -0.10 0.00 -0.04 0.00 0.00 33.50 30.94 1b4u n PRO 92 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1b4u s VAL 93 N 2.08 1.92 0.61 0.52 -7.23 -1.26 -5.12 120.40 111.91 1b4u s VAL 93 Ca 0.69 -2.23 -0.19 0.00 -1.81 0.00 0.00 61.98 58.44 1b4u s VAL 93 Cb 0.18 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1b4u s VAL 93 CO -0.06 -0.42 1.26 -2.84 -0.31 0.00 0.00 175.10 172.72 1b4u s PRO 94 N -3.64 2.82 0.38 4.82 0.02 -1.26 -4.88 135.00 133.26 1b4u s PRO 94 Ca 0.27 1.96 -0.26 0.00 0.02 0.00 0.00 61.00 62.99 1b4u s PRO 94 Cb 0.00 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 1b4u s PRO 94 CO 0.11 -1.36 1.15 -0.25 -0.33 0.00 0.00 177.00 176.32 1b4u n ASP 95 N -1.66 1.99 -4.66 2.53 8.00 -1.26 -4.84 116.55 116.65 1b4u n ASP 95 Ca 0.14 1.12 -0.42 0.00 0.71 0.00 0.00 54.79 56.35 1b4u n ASP 95 Cb 0.49 -1.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.14 1b4u n ASP 95 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b4u s VAL 96 N -1.17 4.79 -0.19 2.53 1.01 -0.65 -4.68 120.40 122.04 1b4u s VAL 96 Ca 0.60 1.81 -0.25 0.00 0.00 0.00 0.00 61.98 64.14 1b4u s VAL 96 Cb -0.57 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 1b4u s VAL 96 CO 0.59 -0.07 0.81 -0.54 0.00 0.00 0.00 175.10 175.89 1b4u s LYS 97 N 2.67 4.26 0.00 2.72 -0.14 -1.26 -0.66 119.74 127.33 1b4u s LYS 97 Ca 0.41 0.96 0.00 0.00 -1.36 0.00 0.00 55.97 55.98 1b4u s LYS 97 Cb -0.16 -3.59 0.00 0.00 -1.68 0.00 0.00 37.83 32.40 1b4u s LYS 97 CO 0.10 -0.37 0.00 0.41 -0.76 0.00 0.00 175.35 174.73 1b4u n GLY 98 N 3.56 0.46 2.65 -3.33 0.00 -0.01 -0.34 105.19 108.19 1b4u n GLY 98 Ca 0.04 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1b4u n GLY 98 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1b4u s HIS 99 N 0.11 1.58 0.20 1.61 2.46 -1.26 -4.63 115.29 115.37 1b4u s HIS 99 Ca 0.00 -2.05 -0.10 0.00 0.47 0.00 0.00 55.06 53.38 1b4u s HIS 99 Cb 0.00 -1.60 0.15 0.00 -0.13 0.00 0.00 32.58 31.00 1b4u s HIS 99 CO 0.00 -0.82 1.82 -1.35 -2.47 0.00 0.00 174.74 171.93 1b4u h PRO 100 N 7.13 1.05 0.06 2.88 0.11 -1.78 0.47 132.00 141.91 1b4u h PRO 100 Ca -0.03 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 1b4u h PRO 100 Cb 0.96 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1b4u h PRO 100 CO 0.43 0.78 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.53 1b4u h ASP 101 N 1.03 -0.06 -0.28 -2.05 3.32 -1.96 -0.38 116.42 116.05 1b4u h ASP 101 Ca 0.26 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.14 1b4u h ASP 101 Cb 0.04 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1b4u h ASP 101 CO -0.04 -0.01 -0.32 0.25 -1.72 0.00 0.00 179.24 177.40 1b4u h LEU 102 N -0.12 0.83 -0.88 1.55 5.85 -1.91 -1.83 115.31 118.81 1b4u h LEU 102 Ca -0.01 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1b4u h LEU 102 Cb 0.10 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1b4u h LEU 102 CO 0.01 1.08 0.52 0.00 -0.34 0.00 0.00 178.44 179.72 1b4u h ALA 103 N 0.97 1.12 0.00 1.25 0.00 0.08 -0.67 119.26 122.00 1b4u h ALA 103 Ca 0.07 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1b4u h ALA 103 Cb 0.86 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1b4u h ALA 103 CO 0.08 0.58 -0.86 -1.49 0.00 0.00 0.00 179.25 177.56 1b4u h TRP 104 N 1.21 0.27 -0.52 0.00 4.06 -1.09 -0.91 115.95 118.97 1b4u h TRP 104 Ca 0.31 -0.15 -0.01 0.00 2.06 0.00 0.00 58.89 61.11 1b4u h TRP 104 Cb -0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 1b4u h TRP 104 CO 0.00 0.95 0.29 1.25 -3.56 0.00 0.00 178.44 177.37 1b4u h HIS 105 N 0.10 0.70 -0.34 0.49 2.76 -0.88 -1.13 115.15 116.87 1b4u h HIS 105 Ca -0.04 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.02 1b4u h HIS 105 Cb 1.48 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 1b4u h HIS 105 CO 0.03 0.51 -0.17 0.82 -1.30 0.00 0.00 177.93 177.82 1b4u h ILE 106 N 0.69 1.29 -0.24 6.26 2.04 -0.95 -1.34 117.51 125.26 1b4u h ILE 106 Ca 0.18 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1b4u h ILE 106 Cb 0.03 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1b4u h ILE 106 CO -0.03 0.42 0.15 0.00 0.00 0.00 0.00 178.15 178.69 1b4u h ALA 107 N 0.78 0.31 -0.76 1.87 0.00 -0.90 -0.66 119.26 119.89 1b4u h ALA 107 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1b4u h ALA 107 Cb 0.71 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1b4u h ALA 107 CO 0.05 -0.19 0.43 1.96 0.00 0.00 0.00 179.25 181.51 1b4u h GLN 108 N 0.30 1.04 -0.53 0.00 4.20 -1.07 -2.74 115.11 116.32 1b4u h GLN 108 Ca 0.09 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1b4u h GLN 108 Cb 0.02 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1b4u h GLN 108 CO -0.02 0.75 -0.10 0.77 -0.67 0.00 0.00 178.83 179.56 1b4u h SER 109 N 1.06 0.98 0.42 1.46 0.02 -0.95 -1.92 113.55 114.62 1b4u h SER 109 Ca 0.27 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 1b4u h SER 109 Cb -0.00 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1b4u h SER 109 CO -0.05 1.09 -0.43 -0.07 -1.14 0.00 0.00 176.83 176.24 1b4u h LEU 110 N 0.88 0.01 0.03 5.07 3.38 -0.99 -1.78 115.31 121.92 1b4u h LEU 110 Ca 0.14 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.86 1b4u h LEU 110 Cb 0.66 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.42 1b4u h LEU 110 CO 0.05 0.44 -0.98 0.40 0.09 0.00 0.00 178.44 178.43 1b4u h ILE 111 N 0.01 1.32 -0.50 1.22 2.04 -1.22 0.19 117.51 120.58 1b4u h ILE 111 Ca -0.00 -2.27 0.14 0.00 1.00 0.00 0.00 64.86 63.73 1b4u h ILE 111 Cb 0.76 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.35 1b4u h ILE 111 CO 0.06 0.69 0.38 -0.07 0.00 0.00 0.00 178.15 179.20 1b4u h LEU 112 N 0.23 0.00 -2.76 1.44 3.38 -1.30 -0.76 115.31 115.54 1b4u h LEU 112 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1b4u h LEU 112 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1b4u h LEU 112 CO 0.19 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 178.05 1b4u n ASP 113 N -4.27 4.27 -2.14 -0.43 -0.08 -0.67 -4.90 116.55 108.33 1b4u n ASP 113 Ca 0.09 -2.55 -0.13 0.00 -1.51 0.00 0.00 54.79 50.69 1b4u n ASP 113 Cb 0.59 -0.59 0.04 0.00 2.34 0.00 0.00 41.12 43.51 1b4u n ASP 113 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1b4u n GLU 114 N 0.63 -4.23 -4.37 -0.67 1.02 -0.29 -5.02 120.64 107.71 1b4u n GLU 114 Ca 0.21 0.44 -0.34 0.00 -0.02 0.00 0.00 57.16 57.45 1b4u n GLU 114 Cb 0.87 -4.29 -0.11 0.00 -0.02 0.00 0.00 31.44 27.88 1b4u n GLU 114 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1b4u s PHE 115 N -3.17 3.07 -1.27 -0.32 0.40 0.62 -5.02 117.98 112.30 1b4u s PHE 115 Ca 0.31 -0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.38 1b4u s PHE 115 Cb -0.14 -1.91 0.14 0.00 0.51 0.00 0.00 43.02 41.62 1b4u s PHE 115 CO 0.39 0.13 1.66 -0.25 0.70 0.00 0.00 175.22 177.85 1b4u n ASP 116 N 3.11 5.02 -4.82 1.36 8.00 -1.26 -3.96 116.55 123.99 1b4u n ASP 116 Ca -0.18 -2.98 -0.32 0.00 0.71 0.00 0.00 54.79 52.02 1b4u n ASP 116 Cb 0.53 -1.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.03 1b4u n ASP 116 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1b4u s MET 117 N 2.10 3.40 -0.23 -1.24 -1.94 -1.26 -4.75 119.30 115.37 1b4u s MET 117 Ca 0.45 1.07 -0.04 0.00 -1.71 0.00 0.00 55.69 55.46 1b4u s MET 117 Cb 0.03 -2.05 -0.00 0.00 2.01 0.00 0.00 34.83 34.81 1b4u s MET 117 CO 0.01 -0.74 -0.04 0.99 -0.01 0.00 0.00 175.02 175.24 1b4u s THR 118 N -2.66 3.32 -0.20 2.05 2.01 -0.91 -5.03 115.64 114.22 1b4u s THR 118 Ca 0.61 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1b4u s THR 118 Cb -0.14 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1b4u s THR 118 CO 0.41 0.38 0.73 -0.63 -0.69 0.00 0.00 174.62 174.81 1b4u s ILE 119 N 1.46 4.94 -0.24 1.82 1.01 -1.26 -2.04 121.20 126.88 1b4u s ILE 119 Ca 0.05 1.40 -0.12 0.00 0.00 0.00 0.00 60.65 61.98 1b4u s ILE 119 Cb -0.15 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 1b4u s ILE 119 CO -0.03 0.05 0.21 -0.04 0.00 0.00 0.00 174.94 175.12 1b4u s MET 120 N 2.19 4.06 0.00 2.79 -1.94 -0.37 -4.95 119.30 121.07 1b4u s MET 120 Ca 0.33 -0.19 0.12 0.00 -1.71 0.00 0.00 55.69 54.23 1b4u s MET 120 Cb -0.16 -3.57 0.16 0.00 2.01 0.00 0.00 34.83 33.27 1b4u s MET 120 CO 0.10 -0.02 0.99 0.09 -0.01 0.00 0.00 175.02 176.18 1b4u n ASN 121 N 4.52 2.28 -3.71 3.03 4.13 -1.26 -0.68 115.26 123.57 1b4u n ASN 121 Ca -0.13 -1.64 -0.11 0.00 1.68 0.00 0.00 54.58 54.37 1b4u n ASN 121 Cb 0.52 -0.07 -0.12 0.00 -1.54 0.00 0.00 39.78 38.57 1b4u n ASN 121 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1b4u s GLN 122 N -1.01 0.31 -0.22 3.52 0.74 -1.26 -4.52 119.66 117.21 1b4u s GLN 122 Ca 0.17 0.68 -0.29 0.00 0.05 0.00 0.00 55.36 55.96 1b4u s GLN 122 Cb 0.11 -0.07 0.16 0.00 1.10 0.00 0.00 33.01 34.31 1b4u s GLN 122 CO 0.16 -0.16 1.16 0.00 -0.55 0.00 0.00 175.29 175.90 1b4u s MET 123 N 1.34 0.35 0.26 1.67 0.23 -1.26 -5.11 119.30 116.77 1b4u s MET 123 Ca -0.09 0.10 -0.05 0.00 -1.03 0.00 0.00 55.69 54.62 1b4u s MET 123 Cb -0.09 0.17 -0.05 0.00 -1.53 0.00 0.00 34.83 33.32 1b4u s MET 123 CO -0.11 -0.11 0.51 -0.51 -2.03 0.00 0.00 175.02 172.77 1b4u s ASP 124 N -1.00 6.45 -0.16 -1.18 1.01 -1.26 -4.20 116.67 116.33 1b4u s ASP 124 Ca 0.03 0.66 -0.03 0.00 0.71 0.00 0.00 52.55 53.93 1b4u s ASP 124 Cb -0.01 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.78 1b4u s ASP 124 CO -0.03 -0.14 -0.07 0.68 0.21 0.00 0.00 175.17 175.82 1b4u s VAL 125 N -1.99 3.49 0.00 -1.27 -7.23 -0.40 -4.52 120.40 108.48 1b4u s VAL 125 Ca 0.43 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1b4u s VAL 125 Cb -0.11 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1b4u s VAL 125 CO 0.29 0.49 0.00 -0.90 -0.31 0.00 0.00 175.10 174.66 1b4u n ASP 126 N 3.84 0.00 0.31 4.85 5.68 -1.26 -1.36 116.55 128.60 1b4u n ASP 126 Ca -0.18 -0.83 0.17 0.00 -0.50 0.00 0.00 54.79 53.45 1b4u n ASP 126 Cb 0.52 0.00 0.98 0.00 -1.14 0.00 0.00 41.12 41.48 1b4u n ASP 126 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1b4u h HIS 127 N -0.35 0.00 -0.87 2.11 2.07 -1.93 -0.53 115.15 115.66 1b4u h HIS 127 Ca 0.00 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 57.61 1b4u h HIS 127 Cb 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.91 1b4u h HIS 127 CO 0.00 0.00 0.52 0.78 -3.07 0.00 0.00 177.93 176.16 1b4u h GLY 128 N 0.01 1.36 0.45 6.13 0.00 -1.83 -2.33 103.07 106.86 1b4u h GLY 128 Ca -0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 47.33 46.63 1b4u h GLY 128 CO 0.00 0.16 -1.91 0.00 0.00 0.00 0.00 176.54 174.80 1b4u h THR 130 N -0.15 0.68 -0.72 0.00 1.35 -1.25 -3.30 112.91 109.52 1b4u h THR 130 Ca -0.43 -2.33 0.04 0.00 -0.55 0.00 0.00 66.41 63.15 1b4u h THR 130 Cb 1.89 2.22 -0.05 0.00 -1.73 0.00 0.00 68.15 70.48 1b4u h THR 130 CO 0.01 0.39 0.44 0.58 -0.25 0.00 0.00 175.52 176.69 1b4u h VAL 131 N 0.00 1.05 -0.51 6.82 2.07 -1.68 -1.85 116.25 122.14 1b4u h VAL 131 Ca -0.21 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1b4u h VAL 131 Cb 1.77 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1b4u h VAL 131 CO 0.06 0.15 0.12 -0.65 0.02 0.00 0.00 177.57 177.27 1b4u h PRO 132 N 0.83 0.78 -0.84 1.57 0.11 -1.78 -0.25 132.00 132.42 1b4u h PRO 132 Ca 0.30 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 66.27 1b4u h PRO 132 Cb 0.09 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.04 1b4u h PRO 132 CO -0.14 0.71 0.55 -0.07 -0.21 0.00 0.00 178.00 178.84 1b4u h LEU 133 N 0.75 0.97 -0.31 2.35 3.38 -1.58 -2.03 115.31 118.84 1b4u h LEU 133 Ca 0.17 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1b4u h LEU 133 Cb 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1b4u h LEU 133 CO -0.00 0.70 -0.17 0.28 0.09 0.00 0.00 178.44 179.35 1b4u h SER 134 N 1.14 0.68 -0.39 -0.43 0.02 -0.45 0.82 113.55 114.94 1b4u h SER 134 Ca 0.31 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1b4u h SER 134 Cb -0.13 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 1b4u h SER 134 CO -0.07 0.95 0.20 0.24 -1.14 0.00 0.00 176.83 177.01 1b4u h MET 135 N 0.42 0.59 0.00 3.45 2.86 -0.89 0.68 114.93 122.03 1b4u h MET 135 Ca 0.07 -0.07 -0.38 0.00 -2.06 0.00 0.00 59.70 57.26 1b4u h MET 135 Cb 0.70 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.17 1b4u h MET 135 CO 0.05 0.47 -2.43 -0.89 1.06 0.00 0.00 176.91 175.17 1b4u n ILE 136 N -4.40 1.43 0.63 -1.22 5.41 -0.78 -4.47 119.36 115.97 1b4u n ILE 136 Ca 0.03 -0.67 0.07 0.00 1.00 0.00 0.00 62.75 63.18 1b4u n ILE 136 Cb 0.12 -1.05 0.03 0.00 -0.71 0.00 0.00 39.64 38.04 1b4u n ILE 136 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1b4u n PHE 137 N -3.05 0.00 -1.06 1.39 3.72 0.27 -4.37 117.46 114.36 1b4u n PHE 137 Ca -0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 1b4u n PHE 137 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1b4u n PHE 137 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b4u n GLY 138 N 0.95 0.39 2.32 1.37 0.00 0.24 -4.32 105.19 106.14 1b4u n GLY 138 Ca 0.07 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1b4u n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b4u n GLU 139 N 10.38 1.04 -1.31 1.61 1.02 -1.26 -4.53 120.64 127.59 1b4u n GLU 139 Ca 0.00 -3.36 -0.29 0.00 -0.02 0.00 0.00 57.16 53.49 1b4u n GLU 139 Cb 0.00 -1.59 0.14 0.00 -0.02 0.00 0.00 31.44 29.97 1b4u n GLU 139 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1b4u s PRO 140 N -2.62 1.06 0.20 3.49 0.04 -1.26 -4.97 135.00 130.94 1b4u s PRO 140 Ca 0.37 0.57 -0.03 0.00 0.04 0.00 0.00 61.00 61.95 1b4u s PRO 140 Cb 0.38 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 33.27 1b4u s PRO 140 CO -0.05 -2.32 1.55 1.49 0.04 0.00 0.00 177.00 177.71 1b4u h GLU 141 N -1.59 0.59 -4.39 4.56 4.81 -1.99 -3.44 114.58 113.13 1b4u h GLU 141 Ca -0.51 -0.33 -0.23 0.00 -0.13 0.00 0.00 59.36 58.16 1b4u h GLU 141 Cb 1.31 0.02 -0.20 0.00 0.63 0.00 0.00 28.75 30.50 1b4u h GLU 141 CO 0.58 0.93 -0.72 -1.21 -0.73 0.00 0.00 179.01 177.86 1b4u s GLU 142 N -4.15 0.49 0.55 1.92 2.02 -1.26 -4.71 118.70 113.56 1b4u s GLU 142 Ca -0.08 -0.79 -0.21 0.00 0.02 0.00 0.00 54.97 53.92 1b4u s GLU 142 Cb 0.12 -0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 1b4u s GLU 142 CO 0.83 0.01 1.31 -1.58 0.02 0.00 0.00 175.26 175.85 1b4u s TRP 143 N -1.71 2.36 -1.77 1.61 0.52 -1.26 -4.84 118.94 113.85 1b4u s TRP 143 Ca -0.09 1.43 0.27 0.00 0.02 0.00 0.00 56.10 57.72 1b4u s TRP 143 Cb -0.08 -3.69 1.49 0.00 -1.15 0.00 0.00 33.47 30.04 1b4u s TRP 143 CO -0.01 -2.62 1.93 -0.35 0.02 0.00 0.00 176.95 175.92 1b4u n PRO 144 N -1.10 0.66 -4.16 4.98 -0.04 -1.26 -4.86 135.00 129.21 1b4u n PRO 144 Ca 0.11 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.45 1b4u n PRO 144 Cb 0.46 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1b4u n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b4u s LYS 146 N -3.71 3.71 -0.02 0.00 -0.14 -0.86 -4.78 119.74 113.93 1b4u s LYS 146 Ca 0.35 0.52 0.01 0.00 -1.36 0.00 0.00 55.97 55.48 1b4u s LYS 146 Cb 0.03 -2.30 0.02 0.00 -1.68 0.00 0.00 37.83 33.90 1b4u s LYS 146 CO 0.17 -0.21 -0.01 0.08 -0.76 0.00 0.00 175.35 174.62 1b4u s VAL 147 N -2.65 0.22 -0.28 3.17 1.01 0.54 -0.55 120.40 121.87 1b4u s VAL 147 Ca 0.52 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 1b4u s VAL 147 Cb -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1b4u s VAL 147 CO 0.39 0.12 0.05 -0.63 0.00 0.00 0.00 175.10 175.03 1b4u s ILE 148 N 0.63 3.83 0.05 2.22 1.01 0.34 -3.83 121.20 125.44 1b4u s ILE 148 Ca -0.06 -0.64 -0.28 0.00 0.00 0.00 0.00 60.65 59.67 1b4u s ILE 148 Cb -0.09 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1b4u s ILE 148 CO -0.01 0.17 0.90 -2.16 0.00 0.00 0.00 174.94 173.83 1b4u s PRO 149 N 1.49 4.59 -0.53 2.79 0.04 -1.26 0.15 135.00 142.27 1b4u s PRO 149 Ca 0.03 1.30 0.04 0.00 0.04 0.00 0.00 61.00 62.41 1b4u s PRO 149 Cb -0.16 -3.41 0.16 0.00 0.04 0.00 0.00 34.50 31.13 1b4u s PRO 149 CO 0.01 0.13 0.38 0.12 0.04 0.00 0.00 177.00 177.68 1b4u s PHE 150 N 0.37 2.22 0.19 0.56 2.19 0.14 -1.11 117.98 122.53 1b4u s PHE 150 Ca 0.46 -2.73 -0.30 0.00 0.33 0.00 0.00 56.93 54.69 1b4u s PHE 150 Cb -0.21 -1.80 -0.08 0.00 -1.31 0.00 0.00 43.02 39.62 1b4u s PHE 150 CO 0.27 -0.71 1.01 -2.14 1.83 0.00 0.00 175.22 175.48 1b4u s PRO 151 N -0.45 4.71 -0.06 10.12 0.02 -1.16 -2.10 135.00 146.09 1b4u s PRO 151 Ca 0.26 1.58 0.04 0.00 0.02 0.00 0.00 61.00 62.91 1b4u s PRO 151 Cb -0.06 -3.30 -0.00 0.00 0.02 0.00 0.00 34.50 31.17 1b4u s PRO 151 CO -0.14 0.26 -0.18 0.08 -0.33 0.00 0.00 177.00 176.69 1b4u s VAL 152 N -0.54 1.54 -0.08 3.83 1.01 0.17 -1.44 120.40 124.89 1b4u s VAL 152 Ca 0.46 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1b4u s VAL 152 Cb -0.27 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1b4u s VAL 152 CO 0.33 0.44 1.20 0.21 0.00 0.00 0.00 175.10 177.28 1b4u s ASN 153 N 0.17 7.05 -0.04 3.32 2.47 -0.80 -4.13 114.94 122.97 1b4u s ASN 153 Ca -0.08 1.77 0.07 0.00 0.42 0.00 0.00 52.86 55.04 1b4u s ASN 153 Cb -0.13 -2.55 0.10 0.00 -1.45 0.00 0.00 41.25 37.21 1b4u s ASN 153 CO 0.04 -0.60 1.05 1.33 -3.72 0.00 0.00 177.10 175.19 1b4u n VAL 154 N 4.73 0.64 -0.06 -5.21 0.24 -1.26 -4.29 118.33 113.12 1b4u n VAL 154 Ca 0.11 -0.78 -0.02 0.00 -2.04 0.00 0.00 64.34 61.61 1b4u n VAL 154 Cb 0.46 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 33.07 1b4u n VAL 154 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1b4u h VAL 155 N 4.62 0.00 -3.08 3.34 2.07 -1.89 -3.47 116.25 117.85 1b4u h VAL 155 Ca -0.00 -0.98 -0.61 0.00 0.82 0.00 0.00 66.70 65.92 1b4u h VAL 155 Cb 1.26 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 1b4u h VAL 155 CO 0.00 0.00 -0.34 -0.89 0.02 0.00 0.00 177.57 176.36 1b4u s THR 156 N -1.88 5.29 0.31 2.57 2.01 -1.26 -5.04 115.64 117.64 1b4u s THR 156 Ca -0.07 0.53 -0.17 0.00 0.31 0.00 0.00 61.69 62.29 1b4u s THR 156 Cb 0.01 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 68.84 1b4u s THR 156 CO 0.11 0.49 0.75 -0.31 -0.69 0.00 0.00 174.62 174.97 1b4u s TYR 157 N -0.26 3.43 0.27 4.92 1.51 -1.26 -3.90 117.35 122.07 1b4u s TYR 157 Ca 0.18 1.29 -0.15 0.00 -1.01 0.00 0.00 57.07 57.38 1b4u s TYR 157 Cb -0.14 -2.58 -0.08 0.00 -0.11 0.00 0.00 41.96 39.05 1b4u s TYR 157 CO 0.06 0.13 0.69 -1.25 -1.11 0.00 0.00 175.55 174.07 1b4u s PRO 158 N -2.79 4.02 0.91 -1.71 0.04 -1.26 -5.18 135.00 129.03 1b4u s PRO 158 Ca 0.53 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 1b4u s PRO 158 Cb -0.11 -2.59 0.14 0.00 0.04 0.00 0.00 34.50 31.97 1b4u s PRO 158 CO 0.18 0.25 1.09 -2.14 0.04 0.00 0.00 177.00 176.42 1b4u s PRO 159 N -2.67 1.17 0.52 0.56 0.02 -1.25 -5.01 135.00 128.33 1b4u s PRO 159 Ca 0.50 0.79 -0.22 0.00 0.02 0.00 0.00 61.00 62.09 1b4u s PRO 159 Cb -0.12 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 1b4u s PRO 159 CO 0.19 -2.29 1.31 -1.25 -0.33 0.00 0.00 177.00 174.62 1b4u s PRO 160 N -4.94 3.30 0.89 5.54 0.04 -1.26 -4.99 135.00 133.58 1b4u s PRO 160 Ca 0.64 2.11 -0.10 0.00 0.04 0.00 0.00 61.00 63.68 1b4u s PRO 160 Cb -0.18 -2.29 0.13 0.00 0.04 0.00 0.00 34.50 32.20 1b4u s PRO 160 CO 0.57 -1.03 1.12 -1.54 0.04 0.00 0.00 177.00 176.17 1b4u s SER 161 N -1.07 3.24 0.41 6.66 1.04 -1.26 -4.87 113.70 117.85 1b4u s SER 161 Ca 0.70 2.03 0.18 0.00 0.48 0.00 0.00 55.95 59.33 1b4u s SER 161 Cb -0.37 -2.52 0.87 0.00 0.10 0.00 0.00 66.02 64.10 1b4u s SER 161 CO 0.44 -2.87 1.85 1.23 0.98 0.00 0.00 173.24 174.87 1b4u h GLY 162 N -1.71 0.00 0.92 7.32 0.00 -1.81 -1.73 103.07 106.06 1b4u h GLY 162 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1b4u h GLY 162 CO 0.45 0.00 0.09 1.70 0.00 0.00 0.00 176.54 178.78 1b4u h LYS 163 N 0.00 0.26 -0.91 4.80 3.64 -1.71 -1.49 116.57 121.16 1b4u h LYS 163 Ca -0.00 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1b4u h LYS 163 Cb 0.66 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 1b4u h LYS 163 CO 0.04 0.28 0.55 -0.09 -2.27 0.00 0.00 179.45 177.97 1b4u h ARG 164 N 0.18 0.90 -0.44 1.90 9.65 -1.79 -2.25 114.38 122.52 1b4u h ARG 164 Ca 0.06 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.80 1b4u h ARG 164 Cb 0.10 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 1b4u h ARG 164 CO -0.01 0.60 -0.09 0.00 2.80 0.00 0.00 179.97 183.27 1b4u h PHE 166 N 0.67 0.85 -0.50 0.00 3.57 -1.07 -2.20 116.94 118.27 1b4u h PHE 166 Ca 0.11 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1b4u h PHE 166 Cb 0.62 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1b4u h PHE 166 CO 0.05 0.96 0.32 0.00 -2.23 0.00 0.00 178.31 177.41 1b4u h ALA 167 N 0.76 1.62 -0.43 2.41 0.00 -1.27 -1.47 119.26 120.88 1b4u h ALA 167 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1b4u h ALA 167 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1b4u h ALA 167 CO 0.06 0.34 -0.10 1.25 0.00 0.00 0.00 179.25 180.80 1b4u h LEU 168 N 0.68 0.76 -0.83 0.00 5.85 -0.29 -1.98 115.31 119.49 1b4u h LEU 168 Ca 0.18 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1b4u h LEU 168 Cb -0.06 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1b4u h LEU 168 CO -0.04 0.89 -0.47 1.23 -0.34 0.00 0.00 178.44 179.71 1b4u h GLY 169 N 0.97 0.30 1.69 3.75 0.00 -0.69 -0.36 103.07 108.73 1b4u h GLY 169 Ca 0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1b4u h GLY 169 CO 0.04 0.28 -0.05 -1.80 0.00 0.00 0.00 176.54 175.00 1b4u h ASP 170 N 0.22 0.36 1.65 0.19 3.58 -0.66 -1.55 116.42 120.20 1b4u h ASP 170 Ca 0.01 -0.07 -0.07 0.00 0.42 0.00 0.00 57.03 57.33 1b4u h ASP 170 Cb 0.91 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1b4u h ASP 170 CO 0.07 0.46 -0.35 0.28 -2.88 0.00 0.00 179.24 176.82 1b4u h SER 171 N 0.37 0.00 -0.42 2.28 0.02 -0.72 -1.97 113.55 113.11 1b4u h SER 171 Ca 0.08 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.90 1b4u h SER 171 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1b4u h SER 171 CO 0.01 0.32 -0.24 0.40 -1.14 0.00 0.00 176.83 176.19 1b4u h ILE 172 N 0.00 1.28 -0.49 3.27 2.04 -0.46 -1.74 117.51 121.41 1b4u h ILE 172 Ca -0.01 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.50 1b4u h ILE 172 Cb 1.25 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1b4u h ILE 172 CO 0.04 0.47 0.24 -0.09 0.00 0.00 0.00 178.15 178.81 1b4u h ARG 173 N 0.72 0.46 -0.81 2.37 2.43 -1.23 -0.66 114.38 117.67 1b4u h ARG 173 Ca 0.09 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1b4u h ARG 173 Cb 0.81 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1b4u h ARG 173 CO 0.07 0.31 0.44 0.00 -1.51 0.00 0.00 179.97 179.27 1b4u h ALA 174 N 1.27 1.25 -0.15 2.80 0.00 -1.12 -0.57 119.26 122.74 1b4u h ALA 174 Ca 0.22 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1b4u h ALA 174 Cb 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1b4u h ALA 174 CO -0.16 0.61 -0.60 0.00 0.00 0.00 0.00 179.25 179.10 1b4u h ALA 175 N 1.35 0.69 -0.47 0.00 0.00 -0.74 -2.10 119.26 117.99 1b4u h ALA 175 Ca 0.28 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1b4u h ALA 175 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1b4u h ALA 175 CO -0.05 0.71 0.03 0.28 0.00 0.00 0.00 179.25 180.22 1b4u h VAL 176 N 0.36 1.23 -0.16 0.00 2.07 -0.47 -2.70 116.25 116.59 1b4u h VAL 176 Ca -0.00 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 1b4u h VAL 176 Cb 1.14 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1b4u h VAL 176 CO 0.11 0.33 -0.38 -0.33 0.02 0.00 0.00 177.57 177.32 1b4u h GLU 177 N 0.72 0.34 -0.00 1.57 5.08 -0.94 -1.43 114.58 119.91 1b4u h GLU 177 Ca 0.15 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1b4u h GLU 177 Cb 0.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1b4u h GLU 177 CO 0.01 0.67 0.00 -1.13 -1.00 0.00 0.00 179.01 177.56 1b4u n SER 178 N -4.05 0.12 -4.70 1.42 3.41 -0.81 -4.77 113.62 104.25 1b4u n SER 178 Ca -0.01 -1.11 -0.42 0.00 -0.26 0.00 0.00 58.87 57.07 1b4u n SER 178 Cb 0.47 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1b4u n SER 178 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1b4u s PHE 179 N -2.00 3.30 -0.75 7.33 5.36 -0.54 -4.94 117.98 125.74 1b4u s PHE 179 Ca 0.44 1.28 0.23 0.00 -0.96 0.00 0.00 56.93 57.92 1b4u s PHE 179 Cb 0.20 -3.40 0.89 0.00 -0.34 0.00 0.00 43.02 40.38 1b4u s PHE 179 CO 0.34 -1.19 1.70 -0.35 -1.46 0.00 0.00 175.22 174.26 1b4u n PRO 180 N 4.75 0.13 -2.79 10.12 -0.04 -1.26 -4.18 135.00 141.72 1b4u n PRO 180 Ca 0.10 0.27 -0.33 0.00 -0.04 0.00 0.00 63.50 63.49 1b4u n PRO 180 Cb 0.47 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1b4u n PRO 180 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1b4u s GLU 181 N -3.14 4.23 -1.36 0.54 2.02 -1.26 -4.99 118.70 114.74 1b4u s GLU 181 Ca 0.08 1.16 -0.12 0.00 0.02 0.00 0.00 54.97 56.11 1b4u s GLU 181 Cb 0.12 -2.23 0.11 0.00 0.10 0.00 0.00 34.13 32.22 1b4u s GLU 181 CO 0.42 -0.03 2.02 -3.47 0.02 0.00 0.00 175.26 174.22 1b4u n ASP 182 N -0.56 4.53 -4.87 -0.19 2.03 -1.26 -2.74 116.55 113.49 1b4u n ASP 182 Ca 0.07 -2.98 -0.34 0.00 0.52 0.00 0.00 54.79 52.06 1b4u n ASP 182 Cb 0.54 -1.57 -0.05 0.00 -0.72 0.00 0.00 41.12 39.31 1b4u n ASP 182 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1b4u s LEU 183 N 1.12 4.34 -0.34 -2.67 1.02 -1.26 -4.80 118.68 116.10 1b4u s LEU 183 Ca 0.44 0.71 -0.25 0.00 0.02 0.00 0.00 54.13 55.04 1b4u s LEU 183 Cb 0.11 -2.94 0.01 0.00 0.02 0.00 0.00 46.19 43.39 1b4u s LEU 183 CO -0.04 0.18 0.89 0.21 0.02 0.00 0.00 176.35 177.61 1b4u s ASN 184 N -1.83 6.70 -0.09 2.29 3.84 -1.26 -2.20 114.94 122.40 1b4u s ASN 184 Ca 0.33 0.67 0.04 0.00 0.21 0.00 0.00 52.86 54.11 1b4u s ASN 184 Cb -0.14 -2.45 -0.00 0.00 -0.55 0.00 0.00 41.25 38.11 1b4u s ASN 184 CO 0.18 -0.76 -0.24 -0.69 -2.79 0.00 0.00 177.10 172.81 1b4u s VAL 185 N 3.28 2.12 -0.01 -5.21 1.01 -0.40 -0.69 120.40 120.50 1b4u s VAL 185 Ca 0.37 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.33 1b4u s VAL 185 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1b4u s VAL 185 CO 0.16 0.56 0.05 -1.00 0.00 0.00 0.00 175.10 174.87 1b4u s HIS 186 N 0.18 3.21 -0.26 5.22 3.76 -0.73 -1.22 115.29 125.45 1b4u s HIS 186 Ca -0.14 0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.86 1b4u s HIS 186 Cb -0.17 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1b4u s HIS 186 CO 0.07 0.52 0.11 0.08 -0.85 0.00 0.00 174.74 174.67 1b4u s VAL 187 N -1.13 4.63 -0.01 -0.90 1.01 -0.94 -0.67 120.40 122.40 1b4u s VAL 187 Ca 0.21 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1b4u s VAL 187 Cb -0.12 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1b4u s VAL 187 CO 0.11 0.32 0.00 0.26 0.00 0.00 0.00 175.10 175.80 1b4u s TRP 188 N 1.60 3.09 -0.07 5.22 0.52 -0.20 -2.19 118.94 126.91 1b4u s TRP 188 Ca 0.06 0.10 0.02 0.00 0.02 0.00 0.00 56.10 56.30 1b4u s TRP 188 Cb -0.15 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1b4u s TRP 188 CO 0.06 0.46 -0.12 0.20 0.02 0.00 0.00 176.95 177.57 1b4u s GLY 189 N -1.49 1.57 0.28 0.98 0.00 -0.14 -1.08 107.32 107.44 1b4u s GLY 189 Ca 0.19 -0.94 0.11 0.00 0.00 0.00 0.00 44.72 44.08 1b4u s GLY 189 CO 0.09 -0.60 -0.18 -0.51 0.00 0.00 0.00 173.10 171.90 1b4u s THR 190 N -0.47 2.39 0.00 0.90 -4.23 -0.19 -2.16 115.64 111.88 1b4u s THR 190 Ca 0.06 -2.37 0.00 0.00 -1.18 0.00 0.00 61.69 58.20 1b4u s THR 190 Cb -0.12 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1b4u s THR 190 CO 0.02 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1b4u n GLY 191 N -0.62 1.63 2.85 3.99 0.00 -0.13 -4.70 105.19 108.21 1b4u n GLY 191 Ca -0.05 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1b4u n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4u n GLY 192 N 0.00 -2.25 0.00 -0.02 0.00 -1.26 -4.07 105.19 97.59 1b4u n GLY 192 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1b4u n GLY 192 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1b4u n MET 193 N -0.55 0.00 -2.20 1.61 0.00 0.94 -4.59 117.12 112.33 1b4u n MET 193 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.30 1b4u n MET 193 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 1b4u n MET 193 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1b4u s SER 194 N -1.00 6.70 -0.13 7.83 1.04 -1.26 -4.34 113.70 122.54 1b4u s SER 194 Ca 0.00 2.54 -0.32 0.00 0.48 0.00 0.00 55.95 58.65 1b4u s SER 194 Cb 0.00 -2.64 0.13 0.00 0.10 0.00 0.00 66.02 63.61 1b4u s SER 194 CO 0.00 -0.57 1.07 -1.38 0.98 0.00 0.00 173.24 173.35 1b4u s HIS 195 N -1.23 -0.23 -0.05 5.02 -3.43 -0.38 -2.20 115.29 112.80 1b4u s HIS 195 Ca 0.52 0.20 -0.02 0.00 -0.80 0.00 0.00 55.06 54.96 1b4u s HIS 195 Cb -0.36 0.51 0.03 0.00 -1.43 0.00 0.00 32.58 31.34 1b4u s HIS 195 CO 0.47 -0.33 0.09 -1.14 -2.00 0.00 0.00 174.74 171.82 1b4u s GLN 196 N -2.42 -0.01 0.00 -0.38 0.74 -1.25 -1.97 119.66 114.37 1b4u s GLN 196 Ca 0.06 0.34 0.25 0.00 0.05 0.00 0.00 55.36 56.06 1b4u s GLN 196 Cb -0.01 -0.30 0.45 0.00 1.10 0.00 0.00 33.01 34.26 1b4u s GLN 196 CO -0.06 -0.23 1.41 1.28 -0.55 0.00 0.00 175.29 177.14 1b4u n LEU 197 N 4.64 2.67 -3.98 3.68 4.77 -1.26 -2.52 117.00 125.00 1b4u n LEU 197 Ca -0.18 -0.96 -0.14 0.00 -0.03 0.00 0.00 56.01 54.70 1b4u n LEU 197 Cb 0.50 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1b4u n LEU 197 CO 0.14 0.48 -0.39 0.00 -1.33 0.00 0.00 177.39 176.29 1b4u s GLN 198 N -1.90 0.39 0.00 3.23 -2.07 -1.26 -4.95 119.66 113.10 1b4u s GLN 198 Ca 0.32 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.51 1b4u s GLN 198 Cb 0.21 -0.29 0.00 0.00 -1.09 0.00 0.00 33.01 31.83 1b4u s GLN 198 CO 0.31 0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.76 1b4u n GLY 199 N 2.45 -0.76 0.27 2.60 0.00 -1.26 -3.40 105.19 105.09 1b4u n GLY 199 Ca -0.16 -1.70 0.17 0.00 0.00 0.00 0.00 46.02 44.33 1b4u n GLY 199 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1b4u h PRO 200 N 0.00 0.00 -0.72 1.61 0.11 -2.01 -0.94 132.00 130.05 1b4u h PRO 200 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1b4u h PRO 200 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1b4u h PRO 200 CO 0.00 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 175.66 1b4u n ARG 201 N -2.73 3.03 -1.19 1.05 0.63 -1.26 -4.97 116.66 111.22 1b4u n ARG 201 Ca -0.02 -2.73 -0.35 0.00 -0.92 0.00 0.00 57.85 53.83 1b4u n ARG 201 Cb 0.11 -1.67 0.09 0.00 0.45 0.00 0.00 32.46 31.44 1b4u n ARG 201 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b4u n ALA 202 N 1.51 -1.02 0.00 5.13 0.00 -0.36 -2.71 120.51 123.06 1b4u n ALA 202 Ca 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1b4u n ALA 202 Cb 0.71 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1b4u n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4u n GLY 203 N 1.25 3.39 3.65 0.00 0.00 -1.05 -4.99 105.19 107.44 1b4u n GLY 203 Ca 0.11 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.57 1b4u n GLY 203 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4u n LEU 204 N 0.00 1.79 -3.95 0.99 7.94 -1.10 -4.89 117.00 117.78 1b4u n LEU 204 Ca 0.00 1.11 -0.20 0.00 -1.11 0.00 0.00 56.01 55.80 1b4u n LEU 204 Cb 0.00 -1.12 -0.16 0.00 0.53 0.00 0.00 43.42 42.67 1b4u n LEU 204 CO 0.00 -0.83 -0.43 -0.63 -1.11 0.00 0.00 177.39 174.39 1b4u s ILE 205 N 2.02 0.69 -0.51 1.96 -1.09 -1.26 -3.82 121.20 119.19 1b4u s ILE 205 Ca 0.93 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 59.13 1b4u s ILE 205 Cb -1.08 -0.66 0.15 0.00 -1.58 0.00 0.00 42.46 39.28 1b4u s ILE 205 CO 0.59 0.24 0.32 0.21 -1.23 0.00 0.00 174.94 175.07 1b4u s ASN 206 N 0.59 3.70 0.46 3.58 3.84 -1.26 -4.97 114.94 120.88 1b4u s ASN 206 Ca -0.09 -3.04 0.25 0.00 0.21 0.00 0.00 52.86 50.19 1b4u s ASN 206 Cb -0.12 -1.17 1.03 0.00 -0.55 0.00 0.00 41.25 40.44 1b4u s ASN 206 CO 0.01 -0.20 1.87 0.07 -2.79 0.00 0.00 177.10 176.06 1b4u h LYS 207 N 6.22 0.00 -0.21 0.43 2.10 -1.99 -1.76 116.57 121.36 1b4u h LYS 207 Ca 0.06 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1b4u h LYS 207 Cb 0.88 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 1b4u h LYS 207 CO 0.55 0.19 0.02 1.49 -2.00 0.00 0.00 179.45 179.70 1b4u h GLU 208 N 0.00 0.35 -0.70 0.07 4.81 -1.99 -1.70 114.58 115.42 1b4u h GLU 208 Ca -0.00 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1b4u h GLU 208 Cb 0.67 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 1b4u h GLU 208 CO 0.03 0.53 0.18 0.35 -0.73 0.00 0.00 179.01 179.37 1b4u h PHE 209 N 0.13 1.17 -0.35 0.92 3.04 -1.80 -1.78 116.94 118.27 1b4u h PHE 209 Ca 0.06 -0.13 -0.15 0.00 3.98 0.00 0.00 57.97 61.72 1b4u h PHE 209 Cb 0.36 -0.33 -0.00 0.00 2.56 0.00 0.00 35.95 38.53 1b4u h PHE 209 CO 0.03 0.95 -0.39 -0.44 -2.02 0.00 0.00 178.31 176.44 1b4u h ASP 210 N 1.05 0.94 -0.09 0.41 3.32 -1.09 -0.55 116.42 120.41 1b4u h ASP 210 Ca 0.22 -0.48 -0.14 0.00 0.02 0.00 0.00 57.03 56.65 1b4u h ASP 210 Cb 0.36 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1b4u h ASP 210 CO -0.00 1.23 -0.42 -0.07 -1.72 0.00 0.00 179.24 178.26 1b4u h LEU 211 N 0.67 0.68 -1.07 1.55 3.38 -1.30 -0.90 115.31 118.32 1b4u h LEU 211 Ca 0.05 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1b4u h LEU 211 Cb 0.98 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1b4u h LEU 211 CO 0.09 1.01 -0.44 -1.13 0.09 0.00 0.00 178.44 178.07 1b4u h ASN 212 N 0.51 0.05 -0.22 -0.43 -1.24 -1.16 -2.11 115.58 110.98 1b4u h ASN 212 Ca 0.04 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1b4u h ASN 212 Cb 0.95 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 1b4u h ASN 212 CO 0.09 0.49 0.11 0.15 -1.29 0.00 0.00 177.43 176.97 1b4u h PHE 213 N 0.04 0.32 -0.75 0.67 3.57 -0.61 -0.90 116.94 119.28 1b4u h PHE 213 Ca 0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1b4u h PHE 213 Cb 0.79 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1b4u h PHE 213 CO 0.00 0.31 0.50 0.82 -2.23 0.00 0.00 178.31 177.71 1b4u h ILE 214 N 0.24 1.19 0.42 1.41 2.04 -0.93 -0.44 117.51 121.44 1b4u h ILE 214 Ca 0.08 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1b4u h ILE 214 Cb 0.11 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1b4u h ILE 214 CO -0.01 0.18 -0.29 -0.78 0.00 0.00 0.00 178.15 177.25 1b4u h ASP 215 N 1.01 -0.74 0.23 1.72 3.58 -0.95 -1.95 116.42 119.31 1b4u h ASP 215 Ca 0.28 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.72 1b4u h ASP 215 Cb -0.11 0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1b4u h ASP 215 CO -0.06 -0.45 -0.24 0.11 -2.88 0.00 0.00 179.24 175.72 1b4u h LYS 216 N -0.69 0.03 -0.49 0.28 1.79 -1.16 -1.19 116.57 115.14 1b4u h LYS 216 Ca -0.04 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.32 1b4u h LYS 216 Cb 0.58 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.21 1b4u h LYS 216 CO 0.02 0.27 -0.08 1.25 -1.08 0.00 0.00 179.45 179.83 1b4u h LEU 217 N 0.03 0.87 0.07 2.94 5.85 -0.67 0.51 115.31 124.92 1b4u h LEU 217 Ca 0.00 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1b4u h LEU 217 Cb 0.44 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1b4u h LEU 217 CO 0.03 0.98 -0.03 0.40 -0.34 0.00 0.00 178.44 179.48 1b4u h ILE 218 N 0.80 1.18 0.00 4.05 2.04 -0.98 -3.38 117.51 121.23 1b4u h ILE 218 Ca 0.14 -0.96 -0.22 0.00 1.00 0.00 0.00 64.86 64.82 1b4u h ILE 218 Cb 0.59 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1b4u h ILE 218 CO 0.04 0.24 -2.11 -1.54 0.00 0.00 0.00 178.15 174.77 1b4u n SER 219 N -4.93 0.57 -3.12 1.72 3.41 -0.48 -4.70 113.62 106.09 1b4u n SER 219 Ca -0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.31 1b4u n SER 219 Cb 0.24 1.26 -0.05 0.00 -0.26 0.00 0.00 64.21 65.40 1b4u n SER 219 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1b4u n ASP 220 N -2.50 -0.29 0.18 4.04 -0.08 0.17 -4.96 116.55 113.12 1b4u n ASP 220 Ca -0.20 -2.80 0.03 0.00 -1.51 0.00 0.00 54.79 50.30 1b4u n ASP 220 Cb 0.89 -0.25 0.33 0.00 2.34 0.00 0.00 41.12 44.43 1b4u n ASP 220 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1b4u h PRO 221 N 3.96 0.00 -0.46 -0.67 0.13 -1.56 -2.66 132.00 130.73 1b4u h PRO 221 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 1b4u h PRO 221 Cb 0.91 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.02 1b4u h PRO 221 CO 0.44 0.42 0.09 1.49 -0.23 0.00 0.00 178.00 180.21 1b4u h GLU 222 N 0.00 0.75 0.25 0.86 4.81 -1.93 0.47 114.58 119.80 1b4u h GLU 222 Ca -0.00 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.02 1b4u h GLU 222 Cb 0.79 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1b4u h GLU 222 CO 0.05 0.76 -0.13 1.49 -0.73 0.00 0.00 179.01 180.45 1b4u h GLU 223 N 0.62 -0.34 -1.00 1.92 4.81 -1.87 -2.93 114.58 115.79 1b4u h GLU 223 Ca 0.14 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.55 1b4u h GLU 223 Cb 0.36 0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 1b4u h GLU 223 CO 0.01 -0.23 0.62 1.25 -0.73 0.00 0.00 179.01 179.93 1b4u h LEU 224 N -0.36 0.85 -1.81 1.64 5.85 -1.12 -1.45 115.31 118.91 1b4u h LEU 224 Ca -0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1b4u h LEU 224 Cb 0.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1b4u h LEU 224 CO 0.05 0.38 0.17 0.77 -0.34 0.00 0.00 178.44 179.48 1b4u h SER 225 N 0.87 0.00 0.09 1.25 4.64 0.14 -0.50 113.55 120.03 1b4u h SER 225 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1b4u h SER 225 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1b4u h SER 225 CO -0.32 0.00 -0.17 0.29 -0.87 0.00 0.00 176.83 175.77 1b4u n LYS 226 N -2.58 1.34 -1.84 4.77 5.02 -0.55 -1.86 118.16 122.48 1b4u n LYS 226 Ca -0.02 -0.88 -0.42 0.00 -2.02 0.00 0.00 58.31 54.97 1b4u n LYS 226 Cb 0.21 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1b4u n LYS 226 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1b4u s MET 227 N -2.27 4.17 0.74 1.97 1.75 -0.20 -4.98 119.30 120.49 1b4u s MET 227 Ca 0.29 2.43 -0.13 0.00 -1.25 0.00 0.00 55.69 57.03 1b4u s MET 227 Cb 0.20 -3.85 0.04 0.00 2.84 0.00 0.00 34.83 34.07 1b4u s MET 227 CO 0.44 -0.84 1.12 -1.25 -0.65 0.00 0.00 175.02 173.84 1b4u s PRO 228 N 3.49 2.28 0.27 4.11 0.04 -1.26 -4.58 135.00 139.34 1b4u s PRO 228 Ca 0.79 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 1b4u s PRO 228 Cb -0.40 -1.89 0.43 0.00 0.04 0.00 0.00 34.50 32.68 1b4u s PRO 228 CO 0.35 -1.66 1.88 0.45 0.04 0.00 0.00 177.00 178.06 1b4u h HIS 229 N -0.68 1.20 -0.44 0.56 3.86 -1.97 -1.78 115.15 115.89 1b4u h HIS 229 Ca -0.45 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 58.92 1b4u h HIS 229 Cb 1.25 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1b4u h HIS 229 CO 0.54 0.61 0.32 0.97 0.86 0.00 0.00 177.93 181.23 1b4u h ILE 230 N 1.16 0.78 -0.07 2.45 6.09 -1.99 -0.92 117.51 125.02 1b4u h ILE 230 Ca 0.44 -0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.69 1b4u h ILE 230 Cb 0.20 0.77 0.01 0.00 0.47 0.00 0.00 36.82 38.27 1b4u h ILE 230 CO -0.18 0.00 -0.90 -0.61 -3.07 0.00 0.00 178.15 173.39 1b4u h GLN 231 N 0.01 0.66 -0.31 2.19 4.15 -1.69 -0.72 115.11 119.41 1b4u h GLN 231 Ca 0.21 -0.62 0.05 0.00 0.77 0.00 0.00 58.65 59.05 1b4u h GLN 231 Cb 0.83 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.63 1b4u h GLN 231 CO -0.00 1.23 0.04 1.88 -1.93 0.00 0.00 178.83 180.05 1b4u h TYR 232 N 0.41 0.07 0.07 3.99 -1.99 -1.25 -2.77 116.97 115.50 1b4u h TYR 232 Ca -0.08 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 1b4u h TYR 232 Cb 1.53 0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.28 1b4u h TYR 232 CO 0.08 -0.00 -0.03 -0.07 -0.00 0.00 0.00 178.16 178.14 1b4u h LEU 233 N 0.15 -0.08 -0.81 3.88 4.07 -1.17 0.40 115.31 121.75 1b4u h LEU 233 Ca 0.15 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 58.00 1b4u h LEU 233 Cb 0.17 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.89 1b4u h LEU 233 CO -0.21 0.01 0.33 -0.09 -1.08 0.00 0.00 178.44 177.40 1b4u h ARG 234 N -0.16 1.21 0.00 1.13 2.43 -1.16 -2.98 114.38 114.84 1b4u h ARG 234 Ca -0.01 -0.22 -0.36 0.00 -0.81 0.00 0.00 59.98 58.58 1b4u h ARG 234 Cb 0.14 -0.20 -0.07 0.00 -0.42 0.00 0.00 29.97 29.42 1b4u h ARG 234 CO 0.02 0.97 -2.38 -1.91 -1.51 0.00 0.00 179.97 175.16 1b4u n GLU 235 N -4.28 0.71 -0.10 0.20 4.07 -1.04 -4.50 120.64 115.70 1b4u n GLU 235 Ca 0.07 0.08 0.03 0.00 -0.06 0.00 0.00 57.16 57.29 1b4u n GLU 235 Cb 0.18 -1.50 0.09 0.00 -0.06 0.00 0.00 31.44 30.15 1b4u n GLU 235 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1b4u n SER 236 N -3.02 2.51 0.00 4.31 3.41 0.14 -4.65 113.62 116.33 1b4u n SER 236 Ca -0.39 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 1b4u n SER 236 Cb 1.03 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1b4u n SER 236 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b4u n GLY 237 N 0.07 0.98 0.24 5.00 0.00 -1.13 -1.24 105.19 109.11 1b4u n GLY 237 Ca 0.07 -1.78 0.10 0.00 0.00 0.00 0.00 46.02 44.40 1b4u n GLY 237 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b4u h SER 238 N 0.00 0.00 0.04 1.61 4.64 -1.71 -0.78 113.55 117.35 1b4u h SER 238 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b4u h SER 238 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1b4u h SER 238 CO 0.00 0.19 -0.25 -0.62 -0.87 0.00 0.00 176.83 175.27 1b4u n GLU 239 N -3.76 1.44 0.32 4.77 4.71 -0.83 -4.09 120.64 123.19 1b4u n GLU 239 Ca -0.02 -1.08 0.14 0.00 -0.01 0.00 0.00 57.16 56.19 1b4u n GLU 239 Cb 0.29 -1.48 0.73 0.00 -1.01 0.00 0.00 31.44 29.98 1b4u n GLU 239 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 1b4u h GLY 240 N 4.84 0.00 2.00 0.62 0.00 -0.91 -2.47 103.07 107.15 1b4u h GLY 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1b4u h GLY 240 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.54 176.30 1b4u h VAL 241 N 0.00 0.00 0.00 4.60 3.04 -1.71 0.40 116.25 122.57 1b4u h VAL 241 Ca 0.02 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1b4u h VAL 241 Cb 0.83 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1b4u h VAL 241 CO -0.00 0.00 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.21 1b4u h GLU 242 N 0.00 0.00 0.00 4.17 5.08 -1.76 -1.53 114.58 120.53 1b4u h GLU 242 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1b4u h GLU 242 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1b4u h GLU 242 CO 0.00 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 1b4u n LEU 243 N -3.56 0.59 0.08 1.33 4.77 0.13 -2.09 117.00 118.24 1b4u n LEU 243 Ca -0.03 0.72 0.19 0.00 -0.03 0.00 0.00 56.01 56.87 1b4u n LEU 243 Cb 0.11 -0.73 0.74 0.00 -2.33 0.00 0.00 43.42 41.20 1b4u n LEU 243 CO 0.26 -0.80 1.17 -0.37 -1.33 0.00 0.00 177.39 176.32 1b4u h VAL 244 N 0.00 0.58 0.00 4.08 -1.51 -1.51 -1.47 116.25 116.42 1b4u h VAL 244 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1b4u h VAL 244 Cb 0.13 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1b4u h VAL 244 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 177.57 176.58 1b4u h MET 245 N 0.00 0.00 0.00 5.19 2.86 -1.67 -2.21 114.93 119.10 1b4u h MET 245 Ca 0.19 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1b4u h MET 245 Cb 0.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1b4u h MET 245 CO -0.00 0.00 -0.28 -1.49 1.06 0.00 0.00 176.91 176.20 1b4u h TRP 246 N 0.00 0.00 0.00 -0.22 4.06 -1.47 -2.32 115.95 116.00 1b4u h TRP 246 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1b4u h TRP 246 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 1b4u h TRP 246 CO 0.00 0.28 -0.44 -0.07 -3.56 0.00 0.00 178.44 174.65 1b4u h LEU 247 N 0.00 0.00 -0.06 -4.49 3.38 -1.51 -1.52 115.31 111.12 1b4u h LEU 247 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1b4u h LEU 247 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1b4u h LEU 247 CO 0.04 0.44 -0.09 0.40 0.09 0.00 0.00 178.44 179.31 1b4u h ILE 248 N 0.00 1.40 -0.30 1.22 2.04 -1.46 -1.79 117.51 118.63 1b4u h ILE 248 Ca -0.00 -1.35 0.07 0.00 1.00 0.00 0.00 64.86 64.57 1b4u h ILE 248 Cb 0.88 2.16 -0.07 0.00 -0.74 0.00 0.00 36.82 39.05 1b4u h ILE 248 CO 0.06 0.37 -0.18 -0.03 0.00 0.00 0.00 178.15 178.36 1b4u h MET 249 N -0.31 -0.15 -0.77 2.37 4.05 -1.47 -3.10 114.93 115.55 1b4u h MET 249 Ca 0.01 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.51 1b4u h MET 249 Cb 0.65 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.43 1b4u h MET 249 CO 0.02 -0.10 0.51 -0.09 0.23 0.00 0.00 176.91 177.48 1b4u h ARG 250 N -0.15 0.76 -0.00 0.39 9.65 -1.25 -2.34 114.38 121.43 1b4u h ARG 250 Ca 0.16 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1b4u h ARG 250 Cb 0.39 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1b4u h ARG 250 CO -0.39 0.50 -0.13 0.41 2.80 0.00 0.00 179.97 183.16 1b4u n GLY 251 N -1.44 -1.22 0.03 2.80 0.00 -0.68 -2.29 105.19 102.40 1b4u n GLY 251 Ca 0.12 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1b4u n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4u n ALA 252 N -1.27 2.62 -2.87 4.61 0.00 -0.88 -1.83 120.51 120.89 1b4u n ALA 252 Ca 0.11 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 1b4u n ALA 252 Cb 0.30 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1b4u n ALA 252 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b4u s LEU 253 N -3.51 4.12 0.00 0.00 1.43 -0.97 -4.72 118.68 115.04 1b4u s LEU 253 Ca 0.12 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1b4u s LEU 253 Cb 0.16 -2.68 0.26 0.00 0.03 0.00 0.00 46.19 43.96 1b4u s LEU 253 CO 0.60 -0.10 1.07 -0.81 0.23 0.00 0.00 176.35 177.34 1b4u n PRO 254 N -1.36 -2.47 -0.16 1.29 -0.04 -1.26 -4.92 135.00 126.08 1b4u n PRO 254 Ca -0.08 -1.69 -0.00 0.00 -0.04 0.00 0.00 63.50 61.70 1b4u n PRO 254 Cb 0.57 -1.44 0.25 0.00 -0.04 0.00 0.00 33.50 32.85 1b4u n PRO 254 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1b4u h GLU 255 N 0.00 0.87 -4.92 0.54 4.81 -1.98 -3.39 114.58 110.50 1b4u h GLU 255 Ca -0.38 -0.09 -0.66 0.00 -0.13 0.00 0.00 59.36 58.10 1b4u h GLU 255 Cb 1.14 -0.18 -0.25 0.00 0.63 0.00 0.00 28.75 30.09 1b4u h GLU 255 CO 0.26 0.64 -0.65 0.15 -0.73 0.00 0.00 179.01 178.67 1b4u s LYS 256 N -5.59 3.42 0.15 1.92 -0.14 -1.26 -4.98 119.74 113.25 1b4u s LYS 256 Ca -0.10 -0.62 0.07 0.00 -1.36 0.00 0.00 55.97 53.96 1b4u s LYS 256 Cb 0.17 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 1b4u s LYS 256 CO 0.78 -0.26 -0.16 0.14 -0.76 0.00 0.00 175.35 175.09 1b4u s VAL 257 N 1.54 1.59 -0.11 3.17 -7.23 -1.26 -1.37 120.40 116.73 1b4u s VAL 257 Ca 0.05 -1.84 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 1b4u s VAL 257 Cb -0.15 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1b4u s VAL 257 CO 0.01 -0.37 0.01 -0.60 -0.31 0.00 0.00 175.10 173.84 1b4u s ARG 258 N -2.78 3.28 -0.27 4.82 3.52 0.22 -4.71 118.95 123.03 1b4u s ARG 258 Ca 0.13 -0.40 -0.26 0.00 -0.13 0.00 0.00 55.73 55.06 1b4u s ARG 258 Cb -0.05 -2.90 0.01 0.00 -1.56 0.00 0.00 34.95 30.44 1b4u s ARG 258 CO 0.05 0.56 0.93 0.16 -0.81 0.00 0.00 175.30 176.20 1b4u s ASP 259 N -0.49 6.89 0.06 -2.12 -4.77 -1.26 -1.83 116.67 113.14 1b4u s ASP 259 Ca 0.09 1.04 0.14 0.00 -3.30 0.00 0.00 52.55 50.52 1b4u s ASP 259 Cb -0.12 -2.48 -0.15 0.00 -1.09 0.00 0.00 42.92 39.08 1b4u s ASP 259 CO 0.02 -0.66 0.89 -0.07 0.70 0.00 0.00 175.17 176.05 1b4u h LEU 260 N 9.53 0.00 -7.00 2.11 3.38 -1.54 -3.45 115.31 118.34 1b4u h LEU 260 Ca -0.22 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1b4u h LEU 260 Cb 1.08 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.57 1b4u h LEU 260 CO 0.94 0.73 0.29 -0.47 0.09 0.00 0.00 178.44 180.03 1b4u s TYR 261 N -2.81 -0.69 -0.09 1.13 5.04 -1.23 -0.73 117.35 117.97 1b4u s TYR 261 Ca -0.02 1.42 -0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1b4u s TYR 261 Cb 0.08 0.42 0.02 0.00 0.35 0.00 0.00 41.96 42.84 1b4u s TYR 261 CO 0.81 -0.34 -0.04 0.99 -1.34 0.00 0.00 175.55 175.62 1b4u s THR 262 N 1.25 0.72 -0.09 4.34 2.01 -0.69 -1.19 115.64 121.98 1b4u s THR 262 Ca -0.08 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1b4u s THR 262 Cb -0.04 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1b4u s THR 262 CO -0.15 0.31 -0.14 0.12 -0.69 0.00 0.00 174.62 174.07 1b4u s PHE 263 N 1.66 2.75 -0.05 4.92 5.36 -0.44 -0.76 117.98 131.42 1b4u s PHE 263 Ca 0.02 -0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 55.51 1b4u s PHE 263 Cb -0.13 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.83 1b4u s PHE 263 CO -0.05 -0.06 0.04 -0.47 -1.46 0.00 0.00 175.22 173.21 1b4u s TYR 264 N -0.10 0.30 -0.01 10.12 5.04 -0.46 -1.21 117.35 131.03 1b4u s TYR 264 Ca -0.02 0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 1b4u s TYR 264 Cb -0.14 -0.60 0.01 0.00 0.35 0.00 0.00 41.96 41.59 1b4u s TYR 264 CO 0.04 -0.24 -0.00 -1.58 -1.34 0.00 0.00 175.55 172.42 1b4u s HIS 265 N 2.04 0.17 -0.10 4.97 5.65 0.03 0.07 115.29 128.11 1b4u s HIS 265 Ca 0.04 0.01 0.01 0.00 0.25 0.00 0.00 55.06 55.37 1b4u s HIS 265 Cb -0.12 -0.19 0.02 0.00 -1.18 0.00 0.00 32.58 31.10 1b4u s HIS 265 CO -0.04 -0.05 -0.14 0.42 -0.65 0.00 0.00 174.74 174.29 1b4u s ILE 266 N 0.39 1.39 0.46 0.89 1.01 -1.02 -0.61 121.20 123.72 1b4u s ILE 266 Ca -0.03 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1b4u s ILE 266 Cb -0.06 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 1b4u s ILE 266 CO -0.01 0.42 0.36 -2.16 0.00 0.00 0.00 174.94 173.55 1b4u s PRO 267 N 1.04 2.39 -0.25 2.79 0.04 -1.26 -4.09 135.00 135.66 1b4u s PRO 267 Ca -0.06 -1.74 -0.03 0.00 0.04 0.00 0.00 61.00 59.21 1b4u s PRO 267 Cb -0.15 -2.23 0.08 0.00 0.04 0.00 0.00 34.50 32.25 1b4u s PRO 267 CO -0.02 -0.32 0.09 0.00 0.04 0.00 0.00 177.00 176.79 1b4u s ALA 268 N -2.59 0.88 0.00 8.56 0.00 -0.65 -4.97 121.76 122.99 1b4u s ALA 268 Ca 0.43 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.42 1b4u s ALA 268 Cb -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1b4u s ALA 268 CO 0.25 -1.44 0.00 0.45 0.00 0.00 0.00 175.76 175.02 1b4u n SER 269 N 5.12 0.00 -0.88 0.00 2.88 -1.26 -1.98 113.62 117.51 1b4u n SER 269 Ca -0.06 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.60 1b4u n SER 269 Cb 0.45 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.99 1b4u n SER 269 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1b4u n ASN 270 N 10.63 2.82 -4.45 -3.46 3.02 -1.26 -5.03 115.26 117.53 1b4u n ASN 270 Ca 0.00 -1.91 -0.23 0.00 -0.03 0.00 0.00 54.58 52.41 1b4u n ASN 270 Cb 0.00 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.15 1b4u n ASN 270 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1b4u s THR 271 N -2.08 2.09 -0.32 3.41 -4.23 -0.84 -4.49 115.64 109.18 1b4u s THR 271 Ca 0.26 -2.26 -0.27 0.00 -1.18 0.00 0.00 61.69 58.24 1b4u s THR 271 Cb 0.20 -2.34 0.01 0.00 1.34 0.00 0.00 72.50 71.71 1b4u s THR 271 CO 0.35 -0.38 0.98 0.00 -0.54 0.00 0.00 174.62 175.02 1b4u s ALA 272 N -2.74 3.49 0.04 3.99 0.00 -0.93 -1.63 121.76 123.97 1b4u s ALA 272 Ca 0.29 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.85 1b4u s ALA 272 Cb -0.01 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 1b4u s ALA 272 CO 0.13 -1.43 0.53 -1.17 0.00 0.00 0.00 175.76 173.81 1b4u s LEU 273 N 3.45 4.50 0.03 0.00 0.20 0.22 -0.04 118.68 127.03 1b4u s LEU 273 Ca 0.41 1.16 0.01 0.00 0.69 0.00 0.00 54.13 56.40 1b4u s LEU 273 Cb -0.13 -2.81 -0.02 0.00 -0.43 0.00 0.00 46.19 42.80 1b4u s LEU 273 CO 0.15 0.26 -0.05 -0.83 -0.29 0.00 0.00 176.35 175.59 1b4u s GLY 274 N -0.95 0.36 -0.20 7.98 0.00 -1.26 -0.79 107.32 112.47 1b4u s GLY 274 Ca 0.28 -0.61 -0.15 0.00 0.00 0.00 0.00 44.72 44.23 1b4u s GLY 274 CO 0.17 -0.66 0.51 0.00 0.00 0.00 0.00 173.10 173.12 1b4u s ALA 275 N -1.22 -1.30 0.01 3.20 0.00 -0.35 -1.77 121.76 120.33 1b4u s ALA 275 Ca -0.10 1.61 -0.10 0.00 0.00 0.00 0.00 51.96 53.37 1b4u s ALA 275 Cb -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1b4u s ALA 275 CO -0.00 -0.27 0.19 0.00 0.00 0.00 0.00 175.76 175.68 1b4u s MET 276 N 0.75 0.60 -0.17 0.00 0.23 -0.69 -1.32 119.30 118.69 1b4u s MET 276 Ca -0.04 -0.44 0.00 0.00 -1.03 0.00 0.00 55.69 54.19 1b4u s MET 276 Cb -0.05 0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.51 1b4u s MET 276 CO -0.06 -0.16 -0.17 0.42 -2.03 0.00 0.00 175.02 173.03 1b4u s ILE 277 N -1.78 2.39 0.10 3.16 1.01 -0.34 -1.69 121.20 124.04 1b4u s ILE 277 Ca -0.11 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 59.79 1b4u s ILE 277 Cb -0.05 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1b4u s ILE 277 CO 0.00 0.52 -0.24 -0.76 0.00 0.00 0.00 174.94 174.46 1b4u s LEU 278 N 1.12 2.39 0.02 2.97 1.43 0.50 -1.28 118.68 125.83 1b4u s LEU 278 Ca 0.01 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1b4u s LEU 278 Cb -0.14 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1b4u s LEU 278 CO -0.07 0.20 -0.05 -1.10 0.23 0.00 0.00 176.35 175.57 1b4u s GLN 279 N -1.84 0.39 0.01 1.70 -0.21 -0.76 -1.42 119.66 117.54 1b4u s GLN 279 Ca 0.14 -0.53 -0.37 0.00 0.02 0.00 0.00 55.36 54.63 1b4u s GLN 279 Cb -0.10 -0.18 -0.15 0.00 1.00 0.00 0.00 33.01 33.58 1b4u s GLN 279 CO 0.06 0.03 1.53 -2.30 -2.12 0.00 0.00 175.29 172.49 1b4u n PRO 280 N 1.96 1.47 -0.33 2.91 -0.02 -1.26 0.73 135.00 140.46 1b4u n PRO 280 Ca -0.20 0.53 0.19 0.00 -2.02 0.00 0.00 63.50 62.00 1b4u n PRO 280 Cb 0.56 -2.23 0.43 0.00 -0.02 0.00 0.00 33.50 32.24 1b4u n PRO 280 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1b4u h GLU 281 N 5.88 0.51 0.00 -0.52 4.81 -1.50 0.16 114.58 123.92 1b4u h GLU 281 Ca -0.47 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1b4u h GLU 281 Cb 1.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1b4u h GLU 281 CO 0.86 0.34 -0.21 0.93 -0.73 0.00 0.00 179.01 180.19 1b4u h GLU 282 N 0.53 0.00 0.00 1.92 5.08 -1.89 -3.01 114.58 117.21 1b4u h GLU 282 Ca 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1b4u h GLU 282 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1b4u h GLU 282 CO -0.35 0.21 0.00 0.25 -1.00 0.00 0.00 179.01 178.12 1b4u n THR 283 N -3.98 0.53 -1.74 1.13 -2.24 -0.40 -5.07 114.28 102.51 1b4u n THR 283 Ca -0.02 -0.71 -0.40 0.00 -2.27 0.00 0.00 64.05 60.65 1b4u n THR 283 Cb 0.29 0.78 0.03 0.00 -2.10 0.00 0.00 70.33 69.33 1b4u n THR 283 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4u n ALA 284 N -0.27 1.71 -1.05 6.98 0.00 0.44 -4.95 120.51 123.37 1b4u n ALA 284 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1b4u n ALA 284 Cb 0.18 -2.35 0.13 0.00 0.00 0.00 0.00 19.45 17.41 1b4u n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4u n GLY 285 N 0.70 -2.58 3.77 0.00 0.00 -1.26 -5.03 105.19 100.79 1b4u n GLY 285 Ca 0.07 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1b4u n GLY 285 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4u s THR 286 N -2.07 3.24 0.94 2.61 2.01 -1.26 -5.02 115.64 116.09 1b4u s THR 286 Ca 0.38 1.10 -0.11 0.00 0.31 0.00 0.00 61.69 63.38 1b4u s THR 286 Cb -0.04 -3.65 0.16 0.00 0.01 0.00 0.00 72.50 68.98 1b4u s THR 286 CO 0.29 0.16 1.11 -2.84 -0.69 0.00 0.00 174.62 172.65 1b4u s PRO 287 N -2.05 0.88 0.63 4.92 0.02 -1.26 -4.96 135.00 133.18 1b4u s PRO 287 Ca 0.53 1.33 -0.08 0.00 0.02 0.00 0.00 61.00 62.80 1b4u s PRO 287 Cb -0.31 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.49 1b4u s PRO 287 CO 0.40 -2.65 0.97 -0.51 -0.33 0.00 0.00 177.00 174.88 1b4u s LEU 288 N -6.59 3.11 -0.15 -5.54 1.43 0.10 -5.02 118.68 106.03 1b4u s LEU 288 Ca 0.66 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 1b4u s LEU 288 Cb -0.22 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1b4u s LEU 288 CO 0.59 -1.16 -0.18 -1.61 0.23 0.00 0.00 176.35 174.22 1b4u s GLU 289 N -5.13 2.61 0.99 1.70 0.41 -1.26 -2.66 118.70 115.36 1b4u s GLU 289 Ca 0.55 -0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 54.30 1b4u s GLU 289 Cb -0.11 -2.25 0.18 0.00 -1.78 0.00 0.00 34.13 30.18 1b4u s GLU 289 CO 0.48 -0.15 1.09 -1.25 -0.49 0.00 0.00 175.26 174.94 1b4u s PRO 290 N 1.19 0.52 -0.05 0.39 0.04 -1.26 -5.11 135.00 130.73 1b4u s PRO 290 Ca 0.00 0.64 0.19 0.00 0.04 0.00 0.00 61.00 61.87 1b4u s PRO 290 Cb -0.14 -1.74 -0.24 0.00 0.04 0.00 0.00 34.50 32.43 1b4u s PRO 290 CO -0.08 -2.70 0.47 -2.13 0.04 0.00 0.00 177.00 172.61 1b4u n ARG 291 N -4.17 0.66 -3.71 4.56 0.63 -1.09 -4.86 116.66 108.67 1b4u n ARG 291 Ca 0.06 -0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.80 1b4u n ARG 291 Cb 0.56 -1.62 -0.17 0.00 0.45 0.00 0.00 32.46 31.68 1b4u n ARG 291 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1b4u s LYS 292 N -3.01 -0.04 -0.13 -0.14 1.02 -1.26 -1.70 119.74 114.48 1b4u s LYS 292 Ca -0.07 0.30 0.01 0.00 0.02 0.00 0.00 55.97 56.23 1b4u s LYS 292 Cb 0.10 -0.43 0.02 0.00 -0.52 0.00 0.00 37.83 37.00 1b4u s LYS 292 CO 0.85 -0.27 -0.15 0.08 -0.92 0.00 0.00 175.35 174.94 1b4u s VAL 293 N 1.75 1.57 -0.32 3.17 1.01 0.06 -5.00 120.40 122.64 1b4u s VAL 293 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1b4u s VAL 293 Cb -0.12 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.85 1b4u s VAL 293 CO -0.03 0.46 0.06 -0.04 0.00 0.00 0.00 175.10 175.55 1b4u s MET 294 N 1.17 2.54 0.43 2.72 1.00 -1.26 -1.35 119.30 124.56 1b4u s MET 294 Ca -0.02 -1.21 0.04 0.00 0.00 0.00 0.00 55.69 54.50 1b4u s MET 294 Cb -0.14 -3.34 -0.05 0.00 0.00 0.00 0.00 34.83 31.30 1b4u s MET 294 CO -0.05 -0.64 0.03 -1.54 0.00 0.00 0.00 175.02 172.81 1b4u s SER 295 N 1.34 3.62 0.00 3.03 1.04 0.11 -4.88 113.70 117.96 1b4u s SER 295 Ca -0.03 -1.49 0.00 0.00 0.48 0.00 0.00 55.95 54.91 1b4u s SER 295 Cb -0.20 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1b4u s SER 295 CO 0.01 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1b4u n GLY 296 N -1.01 2.22 0.36 7.32 0.00 -1.26 -2.42 105.19 110.40 1b4u n GLY 296 Ca -0.09 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 1b4u n GLY 296 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1b4u h HIS 297 N 0.00 1.14 0.00 1.61 3.86 -1.99 0.67 115.15 120.44 1b4u h HIS 297 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1b4u h HIS 297 Cb 0.00 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.09 1b4u h HIS 297 CO 0.00 0.74 0.00 -1.13 0.86 0.00 0.00 177.93 178.40 1b4u n SER 298 N -4.38 0.00 0.00 2.45 3.41 -1.26 -5.20 113.62 108.64 1b4u n SER 298 Ca 0.10 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1b4u n SER 298 Cb 0.05 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1b4u n SER 298 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06