#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 1.33 -0.73 0.00 1.81 -0.88 -3.92 118.95 116.56 1b4u s ARG 3 Ca 0.00 -0.43 -0.21 0.00 -1.72 0.00 0.00 55.73 53.37 1b4u s ARG 3 Cb 0.00 -1.19 0.09 0.00 -0.45 0.00 0.00 34.95 33.40 1b4u s ARG 3 CO 0.00 0.15 0.99 0.08 -0.68 0.00 0.00 175.30 175.84 1b4u s VAL 4 N 0.18 4.48 -0.01 3.52 1.01 -1.26 -0.51 120.40 127.81 1b4u s VAL 4 Ca -0.04 -0.77 0.11 0.00 0.00 0.00 0.00 61.98 61.28 1b4u s VAL 4 Cb -0.10 -4.70 -0.14 0.00 0.00 0.00 0.00 36.38 31.44 1b4u s VAL 4 CO 0.01 -1.44 1.11 0.71 0.00 0.00 0.00 175.10 175.49 1b4u h THR 5 N 5.94 1.16 -2.26 3.92 1.35 -1.73 -3.46 112.91 117.83 1b4u h THR 5 Ca -0.16 -2.79 -0.07 0.00 -0.55 0.00 0.00 66.41 62.84 1b4u h THR 5 Cb 1.06 2.54 -0.20 0.00 -1.73 0.00 0.00 68.15 69.82 1b4u h THR 5 CO 1.16 0.66 0.05 0.28 -0.25 0.00 0.00 175.52 177.41 1b4u s THR 6 N -2.77 0.01 -0.06 6.82 -1.32 -1.26 -4.25 115.64 112.81 1b4u s THR 6 Ca -0.00 -0.08 0.05 0.00 -1.21 0.00 0.00 61.69 60.45 1b4u s THR 6 Cb 0.09 -0.89 -0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1b4u s THR 6 CO 0.80 -0.04 -0.20 -0.83 -2.21 0.00 0.00 174.62 172.14 1b4u s GLY 7 N -0.67 1.41 0.03 6.08 0.00 -0.54 -2.28 107.32 111.35 1b4u s GLY 7 Ca -0.08 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1b4u s GLY 7 CO 0.06 -0.70 -0.07 -0.42 0.00 0.00 0.00 173.10 171.97 1b4u s ILE 8 N -0.41 0.49 0.06 0.90 1.01 -0.91 -1.02 121.20 121.31 1b4u s ILE 8 Ca 0.04 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.88 1b4u s ILE 8 Cb -0.12 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 1b4u s ILE 8 CO 0.02 -0.27 -0.17 0.42 0.00 0.00 0.00 174.94 174.94 1b4u s THR 9 N -1.09 1.32 -0.16 2.92 -4.23 -0.94 -0.83 115.64 112.63 1b4u s THR 9 Ca -0.08 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 1b4u s THR 9 Cb -0.08 -1.21 0.04 0.00 1.34 0.00 0.00 72.50 72.60 1b4u s THR 9 CO 0.00 -0.04 0.43 -0.55 -0.54 0.00 0.00 174.62 173.93 1b4u s SER 10 N -1.46 -0.46 1.07 3.99 0.15 -1.05 -1.39 113.70 114.54 1b4u s SER 10 Ca 0.03 0.88 -0.12 0.00 0.70 0.00 0.00 55.95 57.43 1b4u s SER 10 Cb -0.09 0.88 0.23 0.00 -1.71 0.00 0.00 66.02 65.32 1b4u s SER 10 CO 0.02 -0.16 1.06 -0.55 1.20 0.00 0.00 173.24 174.82 1b4u s SER 11 N 0.38 1.92 0.00 5.45 0.15 -0.70 -1.59 113.70 119.32 1b4u s SER 11 Ca -0.01 1.41 0.24 0.00 0.70 0.00 0.00 55.95 58.29 1b4u s SER 11 Cb -0.04 -2.12 0.40 0.00 -1.71 0.00 0.00 66.02 62.56 1b4u s SER 11 CO -0.01 -3.60 1.16 0.00 1.20 0.00 0.00 173.24 171.99 1b4u n HIS 12 N -4.51 0.00 -1.80 3.44 1.44 -1.26 -4.57 115.22 107.96 1b4u n HIS 12 Ca 0.05 -0.49 -0.42 0.00 -2.01 0.00 0.00 57.72 54.85 1b4u n HIS 12 Cb 0.55 -0.12 -0.02 0.00 0.12 0.00 0.00 29.99 30.52 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 0.00 2.17 0.27 0.61 -4.36 -1.26 -4.60 121.20 114.03 1b4u s ILE 13 Ca 0.32 0.13 -0.01 0.00 -0.26 0.00 0.00 60.65 60.83 1b4u s ILE 13 Cb 0.37 -3.09 0.26 0.00 1.25 0.00 0.00 42.46 41.25 1b4u s ILE 13 CO -0.16 0.02 1.85 1.55 0.24 0.00 0.00 174.94 178.43 1b4u h PRO 14 N 5.83 0.99 -0.74 0.37 0.13 -1.99 -2.33 132.00 134.27 1b4u h PRO 14 Ca -0.45 -0.06 0.21 0.00 -0.87 0.00 0.00 66.00 64.84 1b4u h PRO 14 Cb 1.21 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 1b4u h PRO 14 CO 0.87 0.66 0.61 0.00 -0.23 0.00 0.00 178.00 179.90 1b4u h ALA 15 N 1.49 2.61 -0.66 -0.56 0.00 -1.98 0.27 119.26 120.43 1b4u h ALA 15 Ca 0.45 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 1b4u h ALA 15 Cb 0.35 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1b4u h ALA 15 CO -0.23 -0.99 0.16 -0.07 0.00 0.00 0.00 179.25 178.13 1b4u h LEU 16 N 0.00 0.98 -0.12 0.00 3.38 -1.79 0.13 115.31 117.89 1b4u h LEU 16 Ca 0.35 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1b4u h LEU 16 Cb 1.56 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1b4u h LEU 16 CO -0.00 0.94 -0.54 1.23 0.09 0.00 0.00 178.44 180.15 1b4u h GLY 17 N 1.06 0.00 0.94 0.83 0.00 -0.64 -2.41 103.07 102.85 1b4u h GLY 17 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 1b4u h GLY 17 CO 0.00 0.00 0.07 0.00 0.00 0.00 0.00 176.54 176.61 1b4u h ALA 18 N 1.46 0.54 -0.63 3.60 0.00 -0.73 -1.32 119.26 122.17 1b4u h ALA 18 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1b4u h ALA 18 Cb 1.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1b4u h ALA 18 CO 0.07 0.24 0.42 0.00 0.00 0.00 0.00 179.25 179.98 1b4u h ALA 19 N 0.93 1.63 -0.31 0.00 0.00 -0.54 -1.12 119.26 119.86 1b4u h ALA 19 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1b4u h ALA 19 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1b4u h ALA 19 CO 0.01 0.31 -0.05 0.82 0.00 0.00 0.00 179.25 180.34 1b4u h ILE 20 N 0.77 1.27 -0.14 0.00 2.04 -1.06 -1.54 117.51 118.85 1b4u h ILE 20 Ca 0.25 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 1b4u h ILE 20 Cb 0.04 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1b4u h ILE 20 CO -0.07 0.34 -0.36 -0.61 0.00 0.00 0.00 178.15 177.46 1b4u h GLN 21 N 0.36 0.29 -0.59 2.37 4.15 -0.79 -3.01 115.11 117.89 1b4u h GLN 21 Ca 0.08 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1b4u h GLN 21 Cb 0.52 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1b4u h GLN 21 CO 0.02 0.61 0.00 0.25 -1.93 0.00 0.00 178.83 177.79 1b4u n THR 22 N -4.07 2.50 -3.35 2.39 -2.24 -0.47 -4.95 114.28 104.09 1b4u n THR 22 Ca -0.01 -1.37 -0.19 0.00 -2.27 0.00 0.00 64.05 60.22 1b4u n THR 22 Cb 0.45 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 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 0.74 -0.46 1.02 3.38 0.00 -1.13 -4.80 105.19 103.93 1b4u n GLY 23 Ca 0.27 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.23 0.62 0.08 2.61 -2.24 -0.62 -4.44 114.28 107.06 1b4u n THR 24 Ca 0.04 -0.70 0.05 0.00 -2.27 0.00 0.00 64.05 61.17 1b4u n THR 24 Cb 0.49 0.55 0.29 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.15 0.27 -0.09 3.42 3.41 -0.95 -0.87 113.62 119.97 1b4u n SER 25 Ca 0.19 0.62 0.01 0.00 -0.26 0.00 0.00 58.87 59.43 1b4u n SER 25 Cb 0.50 -0.65 0.02 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.86 1.85 -3.00 4.04 5.68 -1.26 -3.27 116.55 118.72 1b4u n ASP 26 Ca -0.01 -1.73 -0.14 0.00 -0.50 0.00 0.00 54.79 52.42 1b4u n ASP 26 Cb 0.03 -0.02 0.12 0.00 -1.14 0.00 0.00 41.12 40.10 1b4u n ASP 26 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1b4u n ASN 27 N -0.22 -1.79 0.24 -1.12 2.04 -0.05 -4.46 115.26 109.90 1b4u n ASN 27 Ca 0.01 -0.72 0.07 0.00 -0.44 0.00 0.00 54.58 53.50 1b4u n ASN 27 Cb 0.21 -0.45 0.57 0.00 -2.53 0.00 0.00 39.78 37.57 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 -1.97 0.00 0.03 0.53 3.32 -1.96 -2.01 116.42 114.37 1b4u h ASP 28 Ca -0.18 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.62 1b4u h ASP 28 Cb 0.57 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 1b4u h ASP 28 CO 0.12 0.10 -1.31 0.22 -1.72 0.00 0.00 179.24 176.65 1b4u h TYR 29 N 0.01 0.11 0.00 4.55 5.03 -1.90 -3.41 116.97 121.35 1b4u h TYR 29 Ca 0.00 -0.08 -0.10 0.00 2.58 0.00 0.00 58.73 61.13 1b4u h TYR 29 Cb 0.16 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 1b4u h TYR 29 CO 0.00 1.51 -0.62 -1.49 -1.32 0.00 0.00 178.16 176.24 1b4u h TRP 30 N -0.78 0.00 -0.32 -3.82 4.06 -1.78 -3.39 115.95 109.91 1b4u h TRP 30 Ca -0.34 0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.68 1b4u h TRP 30 Cb 1.43 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.53 1b4u h TRP 30 CO 0.11 0.45 -0.09 0.78 -3.56 0.00 0.00 178.44 176.13 1b4u h GLY 31 N 3.59 0.22 2.00 1.49 0.00 -1.34 -0.30 103.07 108.73 1b4u h GLY 31 Ca -0.03 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1b4u h GLY 31 CO 0.05 -0.13 -0.32 -2.55 0.00 0.00 0.00 176.54 173.59 1b4u h PRO 32 N -0.01 0.00 -0.08 4.80 0.11 -1.83 0.54 132.00 135.53 1b4u h PRO 32 Ca 0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1b4u h PRO 32 Cb 0.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 1b4u h PRO 32 CO -0.34 0.32 -0.01 0.28 -0.21 0.00 0.00 178.00 178.04 1b4u h VAL 33 N 0.00 1.28 -0.27 3.15 2.07 -1.33 -2.14 116.25 119.02 1b4u h VAL 33 Ca -0.00 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.51 1b4u h VAL 33 Cb 0.58 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1b4u h VAL 33 CO 0.04 0.25 -0.27 -0.26 0.02 0.00 0.00 177.57 177.36 1b4u h PHE 34 N -0.17 0.60 -0.59 1.57 -1.00 -0.52 -1.84 116.94 114.99 1b4u h PHE 34 Ca 0.02 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 1b4u h PHE 34 Cb 0.40 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.79 1b4u h PHE 34 CO 0.05 0.75 0.34 -0.22 -1.61 0.00 0.00 178.31 177.62 1b4u h LYS 35 N 0.46 0.80 0.00 1.51 3.64 -0.79 -2.15 116.57 120.03 1b4u h LYS 35 Ca 0.06 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1b4u h LYS 35 Cb 0.71 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1b4u h LYS 35 CO 0.05 0.57 -0.10 0.78 -2.27 0.00 0.00 179.45 178.49 1b4u h GLY 36 N 0.86 0.00 1.14 5.01 0.00 -0.64 -1.00 103.07 108.44 1b4u h GLY 36 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1b4u h GLY 36 CO -0.04 0.00 -0.60 -1.72 0.00 0.00 0.00 176.54 174.18 1b4u n TYR 37 N -3.71 0.43 -0.15 5.60 4.02 -0.84 -4.35 117.16 118.17 1b4u n TYR 37 Ca -0.02 0.13 -0.07 0.00 -0.01 0.00 0.00 57.90 57.93 1b4u n TYR 37 Cb 0.21 -0.57 0.02 0.00 -0.02 0.00 0.00 39.34 38.97 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 0.55 -0.89 -0.72 5.75 -0.84 0.20 115.11 119.16 1b4u h GLN 38 Ca 0.00 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.55 1b4u h GLN 38 Cb 0.69 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.06 1b4u h GLN 38 CO 0.00 0.36 0.57 -1.35 -2.65 0.00 0.00 178.83 175.77 1b4u h PRO 39 N 0.56 0.90 -0.52 -2.39 0.11 -1.76 0.26 132.00 129.16 1b4u h PRO 39 Ca 0.17 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1b4u h PRO 39 Cb -0.02 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 1b4u h PRO 39 CO -0.06 0.60 0.10 0.82 -0.21 0.00 0.00 178.00 179.24 1b4u h ILE 40 N 0.93 1.25 -0.83 4.15 2.04 -1.17 -1.43 117.51 122.45 1b4u h ILE 40 Ca 0.40 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1b4u h ILE 40 Cb 0.33 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1b4u h ILE 40 CO -0.16 0.33 0.49 0.03 0.00 0.00 0.00 178.15 178.83 1b4u h ARG 41 N 0.74 1.13 0.01 2.37 3.08 0.38 -1.32 114.38 120.77 1b4u h ARG 41 Ca 0.16 -0.11 -0.26 0.00 0.07 0.00 0.00 59.98 59.84 1b4u h ARG 41 Cb 0.37 -0.23 0.02 0.00 0.08 0.00 0.00 29.97 30.21 1b4u h ARG 41 CO 0.01 0.81 -1.01 -0.44 -1.07 0.00 0.00 179.97 178.26 1b4u h ASP 42 N 1.15 0.88 -0.47 7.04 3.32 -0.92 -3.22 116.42 124.20 1b4u h ASP 42 Ca 0.30 -0.75 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1b4u h ASP 42 Cb -0.03 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1b4u h ASP 42 CO -0.05 1.51 0.29 -0.25 -1.72 0.00 0.00 179.24 179.01 1b4u h TRP 43 N 0.34 0.62 0.00 4.55 7.01 -0.90 -2.62 115.95 124.94 1b4u h TRP 43 Ca -0.13 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.87 1b4u h TRP 43 Cb 1.67 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.53 1b4u h TRP 43 CO 0.11 0.42 0.00 0.97 -2.79 0.00 0.00 178.44 177.15 1b4u h ILE 44 N 0.63 0.00 0.00 2.65 2.10 -1.32 -1.98 117.51 119.59 1b4u h ILE 44 Ca 0.17 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.42 1b4u h ILE 44 Cb -0.02 1.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1b4u h ILE 44 CO -0.03 0.00 -0.18 0.07 -1.08 0.00 0.00 178.15 176.93 1b4u h LYS 45 N 0.00 0.00 -7.25 2.19 2.10 -1.47 -2.41 116.57 109.73 1b4u h LYS 45 Ca 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 1b4u h LYS 45 Cb 0.69 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 32.21 1b4u h LYS 45 CO 0.00 0.00 0.17 -0.65 -2.00 0.00 0.00 179.45 176.97 1b4u s GLN 46 N -3.21 0.55 0.00 0.07 -0.21 -0.75 -4.83 119.66 111.28 1b4u s GLN 46 Ca 0.06 1.13 -0.30 0.00 0.02 0.00 0.00 55.36 56.27 1b4u s GLN 46 Cb 0.07 -1.70 -0.05 0.00 1.00 0.00 0.00 33.01 32.33 1b4u s GLN 46 CO 0.68 -2.82 1.34 -2.14 -2.12 0.00 0.00 175.29 170.24 1b4u s PRO 47 N -4.68 4.31 0.00 2.91 0.02 -1.26 -2.02 135.00 134.28 1b4u s PRO 47 Ca 0.66 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1b4u s PRO 47 Cb -0.22 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.78 1b4u s PRO 47 CO 0.60 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1b4u n GLY 48 N 3.54 3.30 0.10 0.52 0.00 -1.26 -4.89 105.19 106.50 1b4u n GLY 48 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 0.03 0.73 -4.68 1.61 3.02 -0.86 -4.89 115.26 110.22 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 0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 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 -3.22 4.23 0.54 3.52 1.75 -0.91 -4.89 119.30 120.32 1b4u s MET 50 Ca -0.02 2.11 -0.19 0.00 -1.25 0.00 0.00 55.69 56.33 1b4u s MET 50 Cb 0.10 -3.73 -0.06 0.00 2.84 0.00 0.00 34.83 33.98 1b4u s MET 50 CO 0.81 -0.71 1.11 -1.25 -0.65 0.00 0.00 175.02 174.33 1b4u s PRO 51 N 3.07 3.39 0.16 4.11 0.04 -1.26 -4.95 135.00 139.56 1b4u s PRO 51 Ca 0.69 1.55 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1b4u s PRO 51 Cb -0.33 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.21 1b4u s PRO 51 CO 0.28 -0.80 1.42 -0.44 0.04 0.00 0.00 177.00 177.50 1b4u h ASP 52 N 1.17 0.60 -4.23 6.66 3.32 -0.92 -3.43 116.42 119.58 1b4u h ASP 52 Ca -0.50 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.02 1b4u h ASP 52 Cb 1.25 -0.18 -0.24 0.00 0.22 0.00 0.00 39.33 40.39 1b4u h ASP 52 CO 0.57 1.13 -0.43 -0.69 -1.72 0.00 0.00 179.24 178.09 1b4u s VAL 53 N -3.72 0.03 -0.29 -1.35 1.01 -1.10 -1.76 120.40 113.23 1b4u s VAL 53 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1b4u s VAL 53 Cb 0.10 -0.39 0.05 0.00 0.00 0.00 0.00 36.38 36.14 1b4u s VAL 53 CO 0.85 -0.12 -0.03 -0.69 0.00 0.00 0.00 175.10 175.12 1b4u s VAL 54 N -0.41 2.86 -0.27 2.92 1.01 -0.65 -0.67 120.40 125.19 1b4u s VAL 54 Ca -0.05 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 1b4u s VAL 54 Cb -0.03 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1b4u s VAL 54 CO 0.01 -0.04 1.32 -0.63 0.00 0.00 0.00 175.10 175.76 1b4u s ILE 55 N 1.25 4.13 -0.31 2.22 1.01 0.21 -0.69 121.20 129.01 1b4u s ILE 55 Ca -0.05 1.29 -0.05 0.00 0.00 0.00 0.00 60.65 61.84 1b4u s ILE 55 Cb -0.19 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1b4u s ILE 55 CO -0.02 -0.41 0.05 -0.22 0.00 0.00 0.00 174.94 174.35 1b4u s LEU 56 N 4.30 3.97 -0.27 2.97 0.20 0.43 -1.50 118.68 128.78 1b4u s LEU 56 Ca 0.57 -1.04 -0.11 0.00 0.69 0.00 0.00 54.13 54.25 1b4u s LEU 56 Cb -0.18 -1.81 -0.05 0.00 -0.43 0.00 0.00 46.19 43.72 1b4u s LEU 56 CO 0.22 -0.26 0.18 -0.69 -0.29 0.00 0.00 176.35 175.51 1b4u s VAL 57 N 1.38 5.25 0.22 1.68 1.01 -0.41 -1.17 120.40 128.37 1b4u s VAL 57 Ca -0.01 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1b4u s VAL 57 Cb -0.19 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1b4u s VAL 57 CO 0.01 0.27 0.59 -0.72 0.00 0.00 0.00 175.10 175.24 1b4u s TYR 58 N 1.67 -0.12 -0.17 5.22 1.13 -1.05 -0.97 117.35 123.06 1b4u s TYR 58 Ca 0.07 -0.24 -0.15 0.00 -1.41 0.00 0.00 57.07 55.34 1b4u s TYR 58 Cb -0.16 0.48 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 1b4u s TYR 58 CO 0.10 -1.02 0.33 0.54 -2.51 0.00 0.00 175.55 172.99 1b4u s ASN 59 N -2.89 6.44 0.28 -0.18 4.22 -1.26 -1.16 114.94 120.39 1b4u s ASN 59 Ca 0.11 0.51 -0.30 0.00 -2.14 0.00 0.00 52.86 51.04 1b4u s ASN 59 Cb -0.02 -2.20 -0.10 0.00 1.28 0.00 0.00 41.25 40.20 1b4u s ASN 59 CO 0.01 0.04 1.45 -0.62 -2.04 0.00 0.00 177.10 175.93 1b4u s ASP 60 N 0.69 6.60 -1.01 3.54 2.15 -1.25 -4.67 116.67 122.71 1b4u s ASP 60 Ca 0.18 2.75 -0.01 0.00 0.43 0.00 0.00 52.55 55.89 1b4u s ASP 60 Cb -0.14 -2.63 0.31 0.00 -0.30 0.00 0.00 42.92 40.16 1b4u s ASP 60 CO 0.06 -0.72 1.91 1.41 -0.17 0.00 0.00 175.17 177.65 1b4u n HIS 61 N 1.89 2.78 -3.60 -5.34 8.25 -1.26 -4.74 115.22 113.20 1b4u n HIS 61 Ca 0.05 -2.53 -0.22 0.00 -0.26 0.00 0.00 57.72 54.76 1b4u n HIS 61 Cb 0.40 -1.24 0.05 0.00 1.12 0.00 0.00 29.99 30.31 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 -0.01 -2.22 -0.19 -1.41 0.00 -1.26 -4.94 120.51 110.47 1b4u n ALA 62 Ca 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1b4u n ALA 62 Cb 0.26 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.53 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 -3.01 0.00 0.26 0.00 7.64 -1.26 -4.76 113.62 112.49 1b4u n SER 63 Ca -0.21 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.79 1b4u n SER 63 Cb 0.65 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.55 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 1.28 -3.34 -0.43 0.00 -1.93 -3.43 119.26 111.42 1b4u h ALA 64 Ca 0.00 -0.12 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 1b4u h ALA 64 Cb 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 17.43 1b4u h ALA 64 CO 0.00 0.16 -0.84 -0.06 0.00 0.00 0.00 179.25 178.51 1b4u s PHE 65 N -4.18 1.90 0.00 0.00 0.08 -1.26 -4.97 117.98 109.55 1b4u s PHE 65 Ca -0.03 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.22 1b4u s PHE 65 Cb 0.13 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 1b4u s PHE 65 CO 0.59 -0.39 0.00 -0.40 -0.10 0.00 0.00 175.22 174.92 1b4u n ASP 66 N 3.91 0.00 0.14 1.36 5.68 -1.26 -4.31 116.55 122.06 1b4u n ASP 66 Ca -0.20 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.21 1b4u n ASP 66 Cb 0.52 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.98 1b4u n ASP 66 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1b4u h MET 67 N 0.00 0.00 0.00 0.11 2.86 -2.00 -3.28 114.93 112.62 1b4u h MET 67 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1b4u h MET 67 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1b4u h MET 67 CO 0.00 0.00 -0.52 -0.91 1.06 0.00 0.00 176.91 176.54 1b4u h ASN 68 N 0.00 0.00 -2.63 1.22 2.35 -2.02 -3.43 115.58 111.06 1b4u h ASN 68 Ca 0.00 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.37 1b4u h ASN 68 Cb 0.47 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.47 1b4u h ASN 68 CO 0.00 0.43 -0.68 -0.63 -1.65 0.00 0.00 177.43 174.90 1b4u s ILE 69 N -3.00 -0.25 -0.37 2.81 1.01 -1.24 -5.11 121.20 115.05 1b4u s ILE 69 Ca 0.04 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1b4u s ILE 69 Cb 0.07 -0.74 0.11 0.00 0.01 0.00 0.00 42.46 41.91 1b4u s ILE 69 CO 0.74 -0.33 0.11 -0.63 0.00 0.00 0.00 174.94 174.83 1b4u s ILE 70 N 2.26 1.97 0.25 2.92 1.01 -1.26 -4.37 121.20 123.98 1b4u s ILE 70 Ca 0.06 -2.34 -0.16 0.00 0.00 0.00 0.00 60.65 58.22 1b4u s ILE 70 Cb -0.16 -2.44 -0.08 0.00 0.01 0.00 0.00 42.46 39.79 1b4u s ILE 70 CO -0.18 -0.67 0.67 -2.16 0.00 0.00 0.00 174.94 172.60 1b4u s PRO 71 N 0.80 4.05 0.00 2.79 0.04 -1.26 -5.01 135.00 136.41 1b4u s PRO 71 Ca 0.12 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.56 1b4u s PRO 71 Cb -0.20 -2.69 -0.16 0.00 0.04 0.00 0.00 34.50 31.49 1b4u s PRO 71 CO -0.09 0.31 1.15 1.15 0.04 0.00 0.00 177.00 179.56 1b4u h THR 72 N 2.36 0.55 -3.51 1.26 2.02 -1.93 -3.33 112.91 110.34 1b4u h THR 72 Ca -0.48 -0.58 -0.49 0.00 0.77 0.00 0.00 66.41 65.63 1b4u h THR 72 Cb 1.18 0.80 -0.33 0.00 -1.74 0.00 0.00 68.15 68.06 1b4u h THR 72 CO 0.66 0.10 -0.80 -0.36 0.37 0.00 0.00 175.52 175.48 1b4u s PHE 73 N -4.51 1.28 0.02 3.16 0.08 -1.26 -1.51 117.98 115.24 1b4u s PHE 73 Ca -0.14 -0.43 0.00 0.00 0.12 0.00 0.00 56.93 56.48 1b4u s PHE 73 Cb 0.02 -0.95 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 1b4u s PHE 73 CO 0.50 -0.23 -0.03 0.00 -0.10 0.00 0.00 175.22 175.36 1b4u s ALA 74 N 0.61 0.14 -0.03 5.36 0.00 -0.78 -1.34 121.76 125.71 1b4u s ALA 74 Ca -0.12 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1b4u s ALA 74 Cb -0.14 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1b4u s ALA 74 CO 0.03 -0.16 -0.08 -1.50 0.00 0.00 0.00 175.76 174.04 1b4u s ILE 75 N -1.52 0.74 -0.29 0.00 2.07 -0.56 -2.93 121.20 118.71 1b4u s ILE 75 Ca -0.15 -0.33 -0.24 0.00 -1.41 0.00 0.00 60.65 58.52 1b4u s ILE 75 Cb -0.10 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.82 1b4u s ILE 75 CO -0.01 0.24 0.84 -0.83 -1.91 0.00 0.00 174.94 173.27 1b4u s GLY 76 N 0.29 1.70 0.00 1.50 0.00 0.16 -1.44 107.32 109.53 1b4u s GLY 76 Ca -0.04 -0.30 0.12 0.00 0.00 0.00 0.00 44.72 44.50 1b4u s GLY 76 CO 0.01 1.84 1.10 0.00 0.00 0.00 0.00 173.10 176.05 1b4u s ALA 78 N -1.00 2.17 0.26 0.00 0.00 -1.25 -4.41 121.76 117.53 1b4u s ALA 78 Ca 0.20 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1b4u s ALA 78 Cb 0.12 -3.33 0.34 0.00 0.00 0.00 0.00 23.12 20.25 1b4u s ALA 78 CO 0.16 -1.83 1.64 1.49 0.00 0.00 0.00 175.76 177.22 1b4u h GLU 79 N -0.93 0.34 -3.43 0.00 4.81 -1.91 -3.33 114.58 110.13 1b4u h GLU 79 Ca -0.44 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.41 1b4u h GLU 79 Cb 1.25 0.01 -0.27 0.00 0.63 0.00 0.00 28.75 30.37 1b4u h GLU 79 CO 0.50 0.73 -0.57 0.99 -0.73 0.00 0.00 179.01 179.93 1b4u s THR 80 N -4.09 0.00 -0.07 0.32 2.01 -1.26 0.12 115.64 112.67 1b4u s THR 80 Ca -0.05 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1b4u s THR 80 Cb 0.13 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.46 1b4u s THR 80 CO 0.79 -0.01 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.23 1b4u s PHE 81 N 0.02 1.43 0.45 4.92 0.40 0.42 -4.81 117.98 120.81 1b4u s PHE 81 Ca -0.01 -0.53 -0.16 0.00 -0.60 0.00 0.00 56.93 55.63 1b4u s PHE 81 Cb -0.01 -1.06 -0.08 0.00 0.51 0.00 0.00 43.02 42.38 1b4u s PHE 81 CO 0.00 -0.28 0.91 0.15 0.70 0.00 0.00 175.22 176.70 1b4u s LYS 82 N 0.71 3.99 0.17 0.44 3.01 -1.26 -1.16 119.74 125.65 1b4u s LYS 82 Ca -0.14 0.87 -0.30 0.00 -1.01 0.00 0.00 55.97 55.39 1b4u s LYS 82 Cb -0.16 -2.23 -0.08 0.00 -1.01 0.00 0.00 37.83 34.36 1b4u s LYS 82 CO 0.03 -0.12 1.16 -2.14 0.51 0.00 0.00 175.35 174.79 1b4u s PRO 83 N -3.68 4.53 0.71 -1.68 0.02 -1.26 -1.38 135.00 132.27 1b4u s PRO 83 Ca 0.58 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 1b4u s PRO 83 Cb -0.10 -3.27 0.03 0.00 0.02 0.00 0.00 34.50 31.18 1b4u s PRO 83 CO 0.25 -0.04 1.11 0.00 -0.33 0.00 0.00 177.00 177.99 1b4u s ALA 84 N -0.02 2.34 -0.37 -1.55 0.00 0.25 -4.63 121.76 117.78 1b4u s ALA 84 Ca 0.52 0.47 -0.18 0.00 0.00 0.00 0.00 51.96 52.77 1b4u s ALA 84 Cb -0.31 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1b4u s ALA 84 CO 0.35 -1.53 0.49 0.34 0.00 0.00 0.00 175.76 175.41 1b4u s ASP 85 N -2.83 6.28 -0.21 0.00 -1.08 -1.26 -3.81 116.67 113.75 1b4u s ASP 85 Ca 0.65 -0.21 0.15 0.00 -0.52 0.00 0.00 52.55 52.62 1b4u s ASP 85 Cb -0.20 -2.26 0.79 0.00 -1.46 0.00 0.00 42.92 39.80 1b4u s ASP 85 CO 0.47 -0.52 1.71 -0.62 0.52 0.00 0.00 175.17 176.74 1b4u n GLU 86 N 5.73 4.60 0.00 4.34 1.02 -1.26 -4.91 120.64 130.16 1b4u n GLU 86 Ca -0.05 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 1b4u n GLU 86 Cb 0.49 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 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 0.65 1.64 0.80 0.62 0.00 -1.26 -4.93 105.19 102.70 1b4u n GLY 87 Ca 0.27 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.11 0.22 0.00 1.61 7.02 -1.26 -5.08 117.44 119.83 1b4u n TRP 88 Ca 0.00 -0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 1b4u n TRP 88 Cb 0.00 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 1.03 0.39 3.66 6.99 0.00 -1.26 -4.95 105.19 111.05 1b4u n GLY 89 Ca 0.13 -1.72 -0.45 0.00 0.00 0.00 0.00 46.02 43.99 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 0.50 1.96 -1.65 1.61 -0.02 -1.26 -4.32 135.00 131.82 1b4u n PRO 90 Ca 0.00 0.69 -0.46 0.00 -2.02 0.00 0.00 63.50 61.72 1b4u n PRO 90 Cb 0.00 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1b4u n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1b4u n ARG 91 N 1.70 1.84 -1.79 -0.52 5.12 -1.25 -4.85 116.66 116.90 1b4u n ARG 91 Ca 0.11 0.66 -0.41 0.00 -1.93 0.00 0.00 57.85 56.27 1b4u n ARG 91 Cb 0.32 -2.28 -0.00 0.00 -1.16 0.00 0.00 32.46 29.33 1b4u n ARG 91 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1b4u n PRO 92 N 2.02 3.26 -4.24 5.56 -0.04 -1.26 -4.83 135.00 135.47 1b4u n PRO 92 Ca 0.13 -2.77 -0.16 0.00 -0.04 0.00 0.00 63.50 60.66 1b4u n PRO 92 Cb 0.30 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.56 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 2.19 1.22 0.69 0.52 -7.23 -1.26 -5.13 120.40 111.40 1b4u s VAL 93 Ca 0.50 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 1b4u s VAL 93 Cb 0.14 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1b4u s VAL 93 CO -0.07 -0.62 0.52 -0.81 -0.31 0.00 0.00 175.10 173.82 1b4u n PRO 94 N 0.10 0.35 -1.65 4.82 -0.05 -1.26 -4.89 135.00 132.42 1b4u n PRO 94 Ca -0.12 0.16 -0.40 0.00 -0.05 0.00 0.00 63.50 63.08 1b4u n PRO 94 Cb 0.59 -1.80 0.02 0.00 -0.05 0.00 0.00 33.50 32.27 1b4u n PRO 94 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1b4u n ASP 95 N -0.07 1.65 -4.70 3.54 8.00 -1.26 -4.87 116.55 118.83 1b4u n ASP 95 Ca 0.10 1.00 -0.39 0.00 0.71 0.00 0.00 54.79 56.21 1b4u n ASP 95 Cb 0.49 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.11 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 -1.31 5.09 -0.06 2.53 1.01 -0.31 -4.72 120.40 122.65 1b4u s VAL 96 Ca 0.66 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 63.65 1b4u s VAL 96 Cb -0.50 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1b4u s VAL 96 CO 0.54 0.23 0.40 -0.54 0.00 0.00 0.00 175.10 175.73 1b4u s LYS 97 N 1.13 4.06 0.00 2.72 -0.14 -1.26 -0.43 119.74 125.81 1b4u s LYS 97 Ca 0.30 0.36 0.00 0.00 -1.36 0.00 0.00 55.97 55.27 1b4u s LYS 97 Cb -0.16 -3.30 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 1b4u s LYS 97 CO 0.12 0.50 0.00 0.41 -0.76 0.00 0.00 175.35 175.62 1b4u n GLY 98 N 2.41 1.01 2.50 -3.33 0.00 0.12 -1.18 105.19 106.72 1b4u n GLY 98 Ca -0.12 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 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 1.01 0.59 0.27 1.61 2.46 -1.26 -4.56 115.29 115.40 1b4u s HIS 99 Ca 0.00 -1.64 0.00 0.00 0.47 0.00 0.00 55.06 53.89 1b4u s HIS 99 Cb 0.00 -0.80 0.56 0.00 -0.13 0.00 0.00 32.58 32.21 1b4u s HIS 99 CO 0.00 -0.86 1.79 -1.35 -2.47 0.00 0.00 174.74 171.85 1b4u h PRO 100 N 6.64 0.73 0.34 2.88 0.11 -1.79 -1.44 132.00 139.48 1b4u h PRO 100 Ca 0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1b4u h PRO 100 Cb 0.97 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1b4u h PRO 100 CO 0.27 0.48 -0.18 -0.44 -0.21 0.00 0.00 178.00 177.93 1b4u h ASP 101 N 0.75 -0.43 -0.25 -2.05 3.32 -1.95 0.32 116.42 116.13 1b4u h ASP 101 Ca 0.49 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.49 1b4u h ASP 101 Cb 0.63 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 1b4u h ASP 101 CO -0.33 -0.30 -0.06 0.25 -1.72 0.00 0.00 179.24 177.09 1b4u h LEU 102 N -0.48 0.58 -0.13 1.55 5.85 -1.90 -2.20 115.31 118.59 1b4u h LEU 102 Ca -0.04 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1b4u h LEU 102 Cb 0.38 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1b4u h LEU 102 CO 0.06 0.69 -0.03 0.00 -0.34 0.00 0.00 178.44 178.82 1b4u h ALA 103 N 1.38 0.18 -0.47 1.25 0.00 -1.13 -0.04 119.26 120.43 1b4u h ALA 103 Ca 0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1b4u h ALA 103 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1b4u h ALA 103 CO 0.02 -0.08 0.01 -1.49 0.00 0.00 0.00 179.25 177.72 1b4u h TRP 104 N -0.07 0.89 -0.85 0.00 4.06 -1.00 0.11 115.95 119.09 1b4u h TRP 104 Ca 0.03 -0.15 0.07 0.00 2.06 0.00 0.00 58.89 60.90 1b4u h TRP 104 Cb 0.46 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.32 1b4u h TRP 104 CO 0.05 0.85 0.52 1.25 -3.56 0.00 0.00 178.44 177.55 1b4u h HIS 105 N 0.67 0.96 -0.06 0.49 2.76 -0.89 -1.48 115.15 117.60 1b4u h HIS 105 Ca 0.13 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1b4u h HIS 105 Cb 0.48 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 1b4u h HIS 105 CO 0.04 0.46 -0.04 0.82 -1.30 0.00 0.00 177.93 177.91 1b4u h ILE 106 N 0.93 1.35 -0.51 6.26 2.04 -0.60 -1.63 117.51 125.36 1b4u h ILE 106 Ca 0.38 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 65.21 1b4u h ILE 106 Cb 0.22 1.98 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1b4u h ILE 106 CO -0.19 0.31 0.01 0.00 0.00 0.00 0.00 178.15 178.28 1b4u h ALA 107 N 0.58 0.49 -0.40 1.87 0.00 -0.69 0.23 119.26 121.35 1b4u h ALA 107 Ca 0.01 0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1b4u h ALA 107 Cb 0.52 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1b4u h ALA 107 CO 0.01 -0.38 -0.14 1.96 0.00 0.00 0.00 179.25 180.70 1b4u h GLN 108 N 0.13 0.72 -0.35 0.00 4.20 -1.20 -2.60 115.11 116.01 1b4u h GLN 108 Ca 0.26 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1b4u h GLN 108 Cb 0.38 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1b4u h GLN 108 CO -0.41 0.83 -0.35 0.77 -0.67 0.00 0.00 178.83 179.00 1b4u h SER 109 N 0.65 0.85 -0.33 1.46 0.02 -0.23 -2.09 113.55 113.88 1b4u h SER 109 Ca 0.11 -0.37 -0.14 0.00 -0.84 0.00 0.00 61.79 60.55 1b4u h SER 109 Cb 0.61 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1b4u h SER 109 CO 0.04 1.11 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.44 1b4u h LEU 110 N 0.67 0.86 -0.42 5.07 3.38 -0.47 0.12 115.31 124.52 1b4u h LEU 110 Ca 0.07 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.62 1b4u h LEU 110 Cb 0.90 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1b4u h LEU 110 CO 0.08 1.15 0.13 0.40 0.09 0.00 0.00 178.44 180.29 1b4u h ILE 111 N 0.58 0.84 0.00 1.22 2.04 -1.40 0.61 117.51 121.40 1b4u h ILE 111 Ca 0.05 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1b4u h ILE 111 Cb 0.91 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1b4u h ILE 111 CO 0.08 0.05 -0.13 -0.07 0.00 0.00 0.00 178.15 178.09 1b4u h LEU 112 N 0.28 0.00 -0.70 1.44 3.38 -1.18 -0.66 115.31 117.87 1b4u h LEU 112 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1b4u h LEU 112 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1b4u h LEU 112 CO -0.22 0.13 0.00 -0.67 0.09 0.00 0.00 178.44 177.77 1b4u n ASP 113 N -3.53 1.01 -1.29 -0.43 -0.08 0.01 -4.91 116.55 107.33 1b4u n ASP 113 Ca -0.01 -2.01 -0.08 0.00 -1.51 0.00 0.00 54.79 51.17 1b4u n ASP 113 Cb 0.27 -0.14 0.02 0.00 2.34 0.00 0.00 41.12 43.60 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 0.03 -1.91 -4.21 -0.67 1.02 -0.26 -5.02 120.64 109.61 1b4u n GLU 114 Ca 0.06 0.32 -0.34 0.00 -0.02 0.00 0.00 57.16 57.18 1b4u n GLU 114 Cb 0.17 -3.94 -0.08 0.00 -0.02 0.00 0.00 31.44 27.57 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 -2.81 3.24 -1.25 -0.32 0.40 0.04 -5.00 117.98 112.28 1b4u s PHE 115 Ca 0.12 0.22 -0.09 0.00 -0.60 0.00 0.00 56.93 56.58 1b4u s PHE 115 Cb -0.05 -1.77 0.19 0.00 0.51 0.00 0.00 43.02 41.89 1b4u s PHE 115 CO 0.15 0.53 1.77 -0.25 0.70 0.00 0.00 175.22 178.11 1b4u n ASP 116 N 1.70 5.27 -4.76 1.36 8.00 -1.26 -3.83 116.55 123.03 1b4u n ASP 116 Ca -0.16 -3.13 -0.38 0.00 0.71 0.00 0.00 54.79 51.82 1b4u n ASP 116 Cb 0.53 -1.46 0.02 0.00 -0.02 0.00 0.00 41.12 40.19 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 0.12 3.48 -0.28 -1.24 -1.94 -1.26 -4.78 119.30 113.40 1b4u s MET 117 Ca 0.39 2.08 -0.11 0.00 -1.71 0.00 0.00 55.69 56.34 1b4u s MET 117 Cb 0.07 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 1b4u s MET 117 CO 0.01 -0.87 0.18 0.99 -0.01 0.00 0.00 175.02 175.32 1b4u s THR 118 N -1.37 5.23 -0.17 2.05 2.01 -0.45 -5.03 115.64 117.91 1b4u s THR 118 Ca 0.66 0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.58 1b4u s THR 118 Cb -0.36 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 1b4u s THR 118 CO 0.44 0.26 0.73 -0.63 -0.69 0.00 0.00 174.62 174.73 1b4u s ILE 119 N 1.71 4.96 -0.26 1.82 1.01 -1.26 -1.50 121.20 127.68 1b4u s ILE 119 Ca 0.07 1.42 -0.04 0.00 0.00 0.00 0.00 60.65 62.10 1b4u s ILE 119 Cb -0.16 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1b4u s ILE 119 CO 0.10 0.09 0.00 -0.04 0.00 0.00 0.00 174.94 175.09 1b4u s MET 120 N 1.91 3.12 0.00 2.79 -1.94 -0.52 -4.91 119.30 119.75 1b4u s MET 120 Ca 0.34 -0.81 0.18 0.00 -1.71 0.00 0.00 55.69 53.69 1b4u s MET 120 Cb -0.16 -3.15 0.22 0.00 2.01 0.00 0.00 34.83 33.75 1b4u s MET 120 CO 0.12 -0.35 1.15 0.09 -0.01 0.00 0.00 175.02 176.02 1b4u n ASN 121 N 4.79 2.73 -3.71 3.03 5.03 -1.26 -0.94 115.26 124.92 1b4u n ASN 121 Ca -0.16 -1.81 -0.12 0.00 0.87 0.00 0.00 54.58 53.36 1b4u n ASN 121 Cb 0.49 -0.08 -0.11 0.00 -1.02 0.00 0.00 39.78 39.06 1b4u n ASN 121 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1b4u s GLN 122 N -1.41 0.41 -0.21 3.52 0.74 -1.26 -4.44 119.66 117.01 1b4u s GLN 122 Ca 0.25 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 56.04 1b4u s GLN 122 Cb 0.16 0.06 0.15 0.00 1.10 0.00 0.00 33.01 34.49 1b4u s GLN 122 CO 0.23 -0.12 1.17 0.00 -0.55 0.00 0.00 175.29 176.02 1b4u s MET 123 N 0.94 0.35 0.18 1.67 0.23 -1.26 -5.11 119.30 116.30 1b4u s MET 123 Ca -0.06 0.05 -0.19 0.00 -1.03 0.00 0.00 55.69 54.47 1b4u s MET 123 Cb -0.06 0.16 -0.08 0.00 -1.53 0.00 0.00 34.83 33.32 1b4u s MET 123 CO -0.07 -0.12 0.67 -0.51 -2.03 0.00 0.00 175.02 172.96 1b4u s ASP 124 N -1.21 7.03 -0.23 -1.18 1.01 -1.26 -4.24 116.67 116.59 1b4u s ASP 124 Ca 0.04 1.34 -0.08 0.00 0.71 0.00 0.00 52.55 54.55 1b4u s ASP 124 Cb -0.01 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1b4u s ASP 124 CO -0.03 0.09 0.10 0.68 0.21 0.00 0.00 175.17 176.22 1b4u s VAL 125 N -1.43 4.76 0.00 -1.27 -7.23 -0.48 -4.33 120.40 110.43 1b4u s VAL 125 Ca 0.40 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 1b4u s VAL 125 Cb -0.17 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1b4u s VAL 125 CO 0.21 0.37 0.00 -0.90 -0.31 0.00 0.00 175.10 174.46 1b4u n ASP 126 N 4.37 0.00 0.15 4.85 5.68 -1.26 -0.58 116.55 129.76 1b4u n ASP 126 Ca -0.16 -0.68 0.18 0.00 -0.50 0.00 0.00 54.79 53.64 1b4u n ASP 126 Cb 0.52 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.28 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 -0.39 0.00 -0.20 2.11 2.07 -1.93 -0.77 115.15 116.04 1b4u h HIS 127 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1b4u h HIS 127 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1b4u h HIS 127 CO 0.00 0.00 -0.00 0.78 -3.07 0.00 0.00 177.93 175.64 1b4u h GLY 128 N 0.00 0.32 0.16 6.13 0.00 -1.83 -2.34 103.07 105.51 1b4u h GLY 128 Ca 0.14 -0.16 -0.35 0.00 0.00 0.00 0.00 47.33 46.96 1b4u h GLY 128 CO -0.00 0.15 -1.96 0.00 0.00 0.00 0.00 176.54 174.73 1b4u n THR 130 N -3.94 1.32 -0.12 0.00 -2.24 -0.88 -3.83 114.28 104.59 1b4u n THR 130 Ca -0.40 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 60.60 1b4u n THR 130 Cb 0.88 -0.83 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1b4u n THR 130 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1b4u h VAL 131 N 0.00 0.94 -0.86 2.28 2.07 -1.68 -1.76 116.25 117.23 1b4u h VAL 131 Ca -0.21 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.31 1b4u h VAL 131 Cb 1.73 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.98 1b4u h VAL 131 CO 0.06 0.06 0.49 -0.65 0.02 0.00 0.00 177.57 177.55 1b4u h PRO 132 N 0.34 0.76 -0.03 1.57 0.11 -1.78 -0.72 132.00 132.25 1b4u h PRO 132 Ca 0.17 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.24 1b4u h PRO 132 Cb 0.11 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1b4u h PRO 132 CO -0.14 0.50 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.07 1b4u h LEU 133 N 0.78 -0.05 -1.22 2.35 3.38 -1.48 -1.66 115.31 117.43 1b4u h LEU 133 Ca 0.43 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 1b4u h LEU 133 Cb 0.47 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1b4u h LEU 133 CO -0.28 -0.02 0.17 0.28 0.09 0.00 0.00 178.44 178.68 1b4u h SER 134 N -0.01 0.65 0.55 -0.43 0.02 -0.57 0.19 113.55 113.94 1b4u h SER 134 Ca 0.02 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 1b4u h SER 134 Cb 0.04 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1b4u h SER 134 CO -0.04 0.61 -0.59 0.24 -1.14 0.00 0.00 176.83 175.91 1b4u h MET 135 N 0.70 0.04 0.02 3.45 2.86 -0.82 0.31 114.93 121.50 1b4u h MET 135 Ca 0.17 -0.03 -0.37 0.00 -2.06 0.00 0.00 59.70 57.41 1b4u h MET 135 Cb 0.19 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1b4u h MET 135 CO -0.01 0.62 -2.26 -0.89 1.06 0.00 0.00 176.91 175.43 1b4u n ILE 136 N -3.84 1.52 0.54 -1.22 5.41 -0.65 -4.52 119.36 116.58 1b4u n ILE 136 Ca -0.01 -0.71 0.06 0.00 1.00 0.00 0.00 62.75 63.08 1b4u n ILE 136 Cb 0.60 -1.09 -0.02 0.00 -0.71 0.00 0.00 39.64 38.41 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 -3.09 0.00 -0.02 1.39 3.72 0.61 -4.47 117.46 115.60 1b4u n PHE 137 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1b4u n PHE 137 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 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 1.08 0.40 2.50 1.37 0.00 0.10 -4.29 105.19 106.36 1b4u n GLY 138 Ca 0.04 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 10.02 1.91 -0.93 1.61 1.02 -1.26 -4.44 120.64 128.56 1b4u n GLU 139 Ca 0.00 -3.96 -0.29 0.00 -0.02 0.00 0.00 57.16 52.89 1b4u n GLU 139 Cb 0.00 -1.90 0.19 0.00 -0.02 0.00 0.00 31.44 29.71 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 -2.89 0.21 0.26 3.49 0.04 -1.26 -4.93 135.00 129.91 1b4u s PRO 140 Ca 0.43 0.78 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1b4u s PRO 140 Cb 0.33 -1.69 0.35 0.00 0.04 0.00 0.00 34.50 33.53 1b4u s PRO 140 CO -0.10 -2.95 1.64 0.93 0.04 0.00 0.00 177.00 176.56 1b4u h GLU 141 N -2.06 0.32 -3.81 4.56 5.08 -1.98 -3.44 114.58 113.24 1b4u h GLU 141 Ca -0.55 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 57.49 1b4u h GLU 141 Cb 1.31 0.01 -0.20 0.00 0.50 0.00 0.00 28.75 30.37 1b4u h GLU 141 CO 0.53 0.71 -0.60 -1.21 -1.00 0.00 0.00 179.01 177.45 1b4u s GLU 142 N -4.07 0.44 0.67 2.33 2.02 -1.26 -4.67 118.70 114.16 1b4u s GLU 142 Ca -0.05 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.18 1b4u s GLU 142 Cb 0.13 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.53 1b4u s GLU 142 CO 0.79 -0.09 1.14 -1.58 0.02 0.00 0.00 175.26 175.54 1b4u s TRP 143 N -1.80 2.46 -2.49 1.61 0.52 -1.26 -4.91 118.94 113.06 1b4u s TRP 143 Ca -0.12 1.57 0.25 0.00 0.02 0.00 0.00 56.10 57.81 1b4u s TRP 143 Cb -0.06 -3.26 0.76 0.00 -1.15 0.00 0.00 33.47 29.76 1b4u s TRP 143 CO -0.01 -1.95 1.57 -0.35 0.02 0.00 0.00 176.95 176.24 1b4u n PRO 144 N -2.45 1.87 -4.15 4.98 -0.04 -1.26 -4.90 135.00 129.05 1b4u n PRO 144 Ca 0.11 -1.28 -0.13 0.00 -0.04 0.00 0.00 63.50 62.16 1b4u n PRO 144 Cb 0.51 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -3.81 3.91 -0.05 0.00 -0.14 -0.72 -4.77 119.74 114.16 1b4u s LYS 146 Ca 0.34 0.62 0.01 0.00 -1.36 0.00 0.00 55.97 55.59 1b4u s LYS 146 Cb 0.03 -2.38 0.02 0.00 -1.68 0.00 0.00 37.83 33.82 1b4u s LYS 146 CO 0.16 0.04 -0.06 0.08 -0.76 0.00 0.00 175.35 174.80 1b4u s VAL 147 N -2.20 0.67 -0.41 3.17 1.01 -0.33 -1.64 120.40 120.67 1b4u s VAL 147 Ca 0.54 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.23 1b4u s VAL 147 Cb -0.10 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.67 1b4u s VAL 147 CO 0.24 0.26 0.25 -0.63 0.00 0.00 0.00 175.10 175.22 1b4u s ILE 148 N 0.94 4.28 0.26 2.22 1.01 0.13 -3.98 121.20 126.07 1b4u s ILE 148 Ca -0.10 -1.30 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 1b4u s ILE 148 Cb -0.14 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 1b4u s ILE 148 CO 0.00 -0.46 1.25 -2.84 0.00 0.00 0.00 174.94 172.90 1b4u s PRO 149 N 1.45 4.45 -0.47 2.79 0.02 -1.26 -0.43 135.00 141.54 1b4u s PRO 149 Ca 0.03 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.13 1b4u s PRO 149 Cb -0.22 -3.15 0.17 0.00 0.02 0.00 0.00 34.50 31.32 1b4u s PRO 149 CO 0.03 -0.10 0.39 0.34 -0.33 0.00 0.00 177.00 177.32 1b4u n PHE 150 N 1.62 -0.00 -2.30 6.54 -0.00 -0.31 0.39 117.46 123.39 1b4u n PHE 150 Ca 0.02 -3.53 -0.38 0.00 -0.00 0.00 0.00 57.45 53.56 1b4u n PHE 150 Cb 0.43 0.05 -0.02 0.00 -0.00 0.00 0.00 39.48 39.94 1b4u n PHE 150 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1b4u s PRO 151 N -0.34 4.10 -0.07 -7.13 0.02 -1.15 -2.52 135.00 127.91 1b4u s PRO 151 Ca 0.32 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.19 1b4u s PRO 151 Cb 0.03 -2.71 0.02 0.00 0.02 0.00 0.00 34.50 31.86 1b4u s PRO 151 CO -0.19 -0.28 -0.10 0.08 -0.33 0.00 0.00 177.00 176.17 1b4u s VAL 152 N -1.40 1.02 -0.09 3.83 1.01 -0.31 -1.87 120.40 122.59 1b4u s VAL 152 Ca 0.56 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1b4u s VAL 152 Cb -0.31 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1b4u s VAL 152 CO 0.39 0.33 1.32 0.21 0.00 0.00 0.00 175.10 177.35 1b4u s ASN 153 N 0.81 6.92 -0.06 3.32 2.47 -0.57 -3.84 114.94 123.98 1b4u s ASN 153 Ca -0.12 1.87 0.09 0.00 0.42 0.00 0.00 52.86 55.12 1b4u s ASN 153 Cb -0.15 -2.55 0.15 0.00 -1.45 0.00 0.00 41.25 37.25 1b4u s ASN 153 CO 0.02 -0.73 1.08 1.33 -3.72 0.00 0.00 177.10 175.08 1b4u n VAL 154 N 5.04 0.86 -0.13 -5.21 0.24 -1.26 -4.31 118.33 113.57 1b4u n VAL 154 Ca 0.13 -1.09 -0.26 0.00 -2.04 0.00 0.00 64.34 61.09 1b4u n VAL 154 Cb 0.45 0.19 -0.11 0.00 -1.47 0.00 0.00 33.84 32.90 1b4u n VAL 154 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1b4u n VAL 155 N -0.61 1.53 -3.75 3.34 0.24 -1.26 -4.90 118.33 112.92 1b4u n VAL 155 Ca 0.08 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.34 61.61 1b4u n VAL 155 Cb 0.69 -1.77 -0.08 0.00 -1.47 0.00 0.00 33.84 31.21 1b4u n VAL 155 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1b4u s THR 156 N -2.50 5.43 0.15 3.34 2.01 -1.26 -5.06 115.64 117.74 1b4u s THR 156 Ca -0.36 0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 1b4u s THR 156 Cb 0.12 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1b4u s THR 156 CO 0.54 0.47 0.69 -0.31 -0.69 0.00 0.00 174.62 175.33 1b4u s TYR 157 N 0.09 3.81 0.25 4.92 1.51 -1.26 -4.01 117.35 122.66 1b4u s TYR 157 Ca 0.10 1.45 -0.02 0.00 -1.01 0.00 0.00 57.07 57.59 1b4u s TYR 157 Cb -0.11 -2.64 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 1b4u s TYR 157 CO -0.01 0.50 0.47 -1.25 -1.11 0.00 0.00 175.55 174.15 1b4u s PRO 158 N -1.34 3.55 0.79 -1.71 0.04 -1.26 -5.19 135.00 129.89 1b4u s PRO 158 Ca 0.35 -0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.04 1b4u s PRO 158 Cb -0.20 -2.75 0.07 0.00 0.04 0.00 0.00 34.50 31.65 1b4u s PRO 158 CO 0.23 0.30 1.16 -2.14 0.04 0.00 0.00 177.00 176.59 1b4u s PRO 159 N -3.55 2.10 0.95 0.56 0.02 -1.26 -5.01 135.00 128.81 1b4u s PRO 159 Ca 0.40 0.21 -0.12 0.00 0.02 0.00 0.00 61.00 61.52 1b4u s PRO 159 Cb -0.11 -1.96 0.16 0.00 0.02 0.00 0.00 34.50 32.62 1b4u s PRO 159 CO 0.30 -1.52 1.09 -1.25 -0.33 0.00 0.00 177.00 175.29 1b4u s PRO 160 N -5.50 0.84 0.49 5.54 0.04 -1.26 -4.99 135.00 130.16 1b4u s PRO 160 Ca 0.61 0.93 -0.07 0.00 0.04 0.00 0.00 61.00 62.51 1b4u s PRO 160 Cb -0.11 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1b4u s PRO 160 CO 0.50 -2.56 0.82 -1.54 0.04 0.00 0.00 177.00 174.26 1b4u s SER 161 N -3.16 6.31 0.32 6.66 1.04 -1.26 -4.86 113.70 118.74 1b4u s SER 161 Ca 0.65 1.04 0.08 0.00 0.48 0.00 0.00 55.95 58.20 1b4u s SER 161 Cb -0.20 -2.30 0.81 0.00 0.10 0.00 0.00 66.02 64.44 1b4u s SER 161 CO 0.58 -0.59 1.76 1.23 0.98 0.00 0.00 173.24 177.21 1b4u h GLY 162 N 0.34 1.78 1.41 7.32 0.00 -1.81 0.62 103.07 112.73 1b4u h GLY 162 Ca -0.47 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 46.41 1b4u h GLY 162 CO 0.62 -0.12 -0.31 1.70 0.00 0.00 0.00 176.54 178.43 1b4u h LYS 163 N 0.68 0.67 -0.44 4.80 3.64 -1.72 0.82 116.57 125.01 1b4u h LYS 163 Ca 0.60 -0.30 -0.13 0.00 -1.27 0.00 0.00 60.65 59.54 1b4u h LYS 163 Cb 1.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1b4u h LYS 163 CO -0.40 0.89 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.32 1b4u h ARG 164 N 0.57 0.93 -0.43 1.90 9.65 -1.38 -1.11 114.38 124.51 1b4u h ARG 164 Ca 0.07 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.52 1b4u h ARG 164 Cb 0.81 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 1b4u h ARG 164 CO 0.07 1.07 0.22 0.00 2.80 0.00 0.00 179.97 184.13 1b4u h PHE 166 N 0.55 1.06 -0.14 0.00 3.57 -0.47 -2.08 116.94 119.43 1b4u h PHE 166 Ca 0.15 -0.09 -0.15 0.00 3.53 0.00 0.00 57.97 61.41 1b4u h PHE 166 Cb 0.08 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1b4u h PHE 166 CO -0.02 0.84 -0.54 0.00 -2.23 0.00 0.00 178.31 176.36 1b4u h ALA 167 N 1.24 0.81 -0.56 2.41 0.00 -0.97 -2.81 119.26 119.38 1b4u h ALA 167 Ca 0.22 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1b4u h ALA 167 Cb 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1b4u h ALA 167 CO -0.01 0.68 0.19 1.25 0.00 0.00 0.00 179.25 181.36 1b4u h LEU 168 N 0.32 0.77 -1.18 0.00 5.85 -0.29 -2.72 115.31 118.06 1b4u h LEU 168 Ca 0.01 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1b4u h LEU 168 Cb 1.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1b4u h LEU 168 CO 0.09 0.72 -0.12 1.23 -0.34 0.00 0.00 178.44 180.03 1b4u h GLY 169 N 0.96 0.46 1.99 3.75 0.00 -1.13 -1.15 103.07 107.95 1b4u h GLY 169 Ca 0.19 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1b4u h GLY 169 CO -0.01 0.28 -0.39 -1.80 0.00 0.00 0.00 176.54 174.62 1b4u h ASP 170 N 0.40 0.01 0.28 0.19 3.58 -1.12 -1.60 116.42 118.15 1b4u h ASP 170 Ca 0.08 -0.01 -0.21 0.00 0.42 0.00 0.00 57.03 57.31 1b4u h ASP 170 Cb 0.45 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1b4u h ASP 170 CO 0.03 0.41 -0.87 0.28 -2.88 0.00 0.00 179.24 176.20 1b4u h SER 171 N 0.01 0.55 -0.83 2.28 0.02 -1.12 -1.97 113.55 112.50 1b4u h SER 171 Ca -0.00 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1b4u h SER 171 Cb 0.70 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1b4u h SER 171 CO 0.05 1.19 0.48 0.40 -1.14 0.00 0.00 176.83 177.82 1b4u h ILE 172 N 0.27 1.24 -0.55 3.27 2.04 -0.83 0.75 117.51 123.70 1b4u h ILE 172 Ca -0.06 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1b4u h ILE 172 Cb 1.49 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1b4u h ILE 172 CO 0.15 0.26 0.23 -0.09 0.00 0.00 0.00 178.15 178.70 1b4u h ARG 173 N 1.15 0.81 -0.18 2.37 2.43 -1.18 0.20 114.38 119.99 1b4u h ARG 173 Ca 0.30 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 1b4u h ARG 173 Cb -0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1b4u h ARG 173 CO -0.05 0.70 -0.36 0.00 -1.51 0.00 0.00 179.97 178.74 1b4u h ALA 174 N 1.08 1.06 -0.42 2.80 0.00 -0.84 -0.81 119.26 122.13 1b4u h ALA 174 Ca 0.18 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1b4u h ALA 174 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1b4u h ALA 174 CO -0.02 0.59 -0.17 0.00 0.00 0.00 0.00 179.25 179.65 1b4u h ALA 175 N 1.30 0.92 -0.28 0.00 0.00 -0.18 -2.67 119.26 118.35 1b4u h ALA 175 Ca 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1b4u h ALA 175 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1b4u h ALA 175 CO 0.06 0.62 0.17 0.28 0.00 0.00 0.00 179.25 180.38 1b4u h VAL 176 N 0.70 1.10 0.00 0.00 2.07 0.20 -2.72 116.25 117.61 1b4u h VAL 176 Ca 0.11 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1b4u h VAL 176 Cb 0.67 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1b4u h VAL 176 CO 0.05 0.10 -0.23 -0.33 0.02 0.00 0.00 177.57 177.18 1b4u h GLU 177 N 0.36 0.00 -0.01 1.57 5.08 -1.08 -0.89 114.58 119.61 1b4u h GLU 177 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1b4u h GLU 177 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1b4u h GLU 177 CO -0.02 0.23 -0.11 -1.13 -1.00 0.00 0.00 179.01 176.99 1b4u n SER 178 N -4.23 0.63 -4.73 1.42 3.41 -1.02 -4.84 113.62 104.26 1b4u n SER 178 Ca -0.02 -0.76 -0.42 0.00 -0.26 0.00 0.00 58.87 57.41 1b4u n SER 178 Cb 0.29 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.38 3.35 -1.86 7.33 5.36 -0.34 -4.92 117.98 124.51 1b4u s PHE 179 Ca 0.31 1.22 0.31 0.00 -0.96 0.00 0.00 56.93 57.81 1b4u s PHE 179 Cb 0.20 -3.53 1.79 0.00 -0.34 0.00 0.00 43.02 41.14 1b4u s PHE 179 CO 0.46 -1.68 2.16 -0.35 -1.46 0.00 0.00 175.22 174.35 1b4u n PRO 180 N 3.28 0.85 -3.71 10.12 -0.04 -1.26 -4.35 135.00 139.88 1b4u n PRO 180 Ca 0.08 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 1b4u n PRO 180 Cb 0.44 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.14 3.63 -1.00 0.54 2.02 -1.26 -5.02 118.70 115.47 1b4u s GLU 181 Ca 0.43 -0.03 -0.17 0.00 0.02 0.00 0.00 54.97 55.21 1b4u s GLU 181 Cb 0.21 -3.02 0.14 0.00 0.10 0.00 0.00 34.13 31.57 1b4u s GLU 181 CO 0.39 0.59 1.19 0.34 0.02 0.00 0.00 175.26 177.79 1b4u s ASP 182 N -1.88 6.75 0.10 -0.19 2.15 -1.26 -1.92 116.67 120.42 1b4u s ASP 182 Ca 0.31 -2.32 0.06 0.00 0.43 0.00 0.00 52.55 51.04 1b4u s ASP 182 Cb -0.13 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1b4u s ASP 182 CO 0.19 -0.96 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.39 1b4u s LEU 183 N 2.29 3.14 -0.43 -1.34 1.02 -1.26 -4.84 118.68 117.26 1b4u s LEU 183 Ca 0.35 -0.33 -0.22 0.00 0.02 0.00 0.00 54.13 53.95 1b4u s LEU 183 Cb -0.04 -1.92 0.02 0.00 0.02 0.00 0.00 46.19 44.27 1b4u s LEU 183 CO -0.07 0.18 0.71 0.21 0.02 0.00 0.00 176.35 177.40 1b4u s ASN 184 N -2.21 6.37 -0.10 2.29 3.84 -1.26 -2.07 114.94 121.80 1b4u s ASN 184 Ca 0.22 -0.18 -0.00 0.00 0.21 0.00 0.00 52.86 53.11 1b4u s ASN 184 Cb -0.11 -2.35 -0.03 0.00 -0.55 0.00 0.00 41.25 38.21 1b4u s ASN 184 CO 0.15 -0.82 -0.08 -0.69 -2.79 0.00 0.00 177.10 172.86 1b4u s VAL 185 N 3.02 3.55 -0.02 -5.21 1.01 0.33 -0.16 120.40 122.91 1b4u s VAL 185 Ca 0.26 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1b4u s VAL 185 Cb -0.13 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1b4u s VAL 185 CO 0.20 0.56 0.09 -1.00 0.00 0.00 0.00 175.10 174.95 1b4u s HIS 186 N -0.28 3.34 -0.19 5.22 3.76 0.15 -1.77 115.29 125.53 1b4u s HIS 186 Ca 0.03 0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 55.16 1b4u s HIS 186 Cb -0.13 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1b4u s HIS 186 CO 0.03 0.57 -0.05 0.08 -0.85 0.00 0.00 174.74 174.52 1b4u s VAL 187 N -1.17 3.54 -0.03 -0.90 1.01 -0.97 -0.62 120.40 121.27 1b4u s VAL 187 Ca 0.22 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1b4u s VAL 187 Cb -0.12 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1b4u s VAL 187 CO 0.12 0.45 -0.03 0.26 0.00 0.00 0.00 175.10 175.91 1b4u s TRP 188 N 0.97 3.01 -0.08 5.22 0.52 -0.56 -2.14 118.94 125.88 1b4u s TRP 188 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 56.10 56.22 1b4u s TRP 188 Cb -0.15 -1.68 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 1b4u s TRP 188 CO 0.01 0.41 -0.20 0.20 0.02 0.00 0.00 176.95 177.39 1b4u s GLY 189 N -1.26 1.41 0.32 0.98 0.00 -0.01 -1.29 107.32 107.47 1b4u s GLY 189 Ca 0.16 -0.99 0.07 0.00 0.00 0.00 0.00 44.72 43.96 1b4u s GLY 189 CO 0.06 -0.55 -0.05 -0.51 0.00 0.00 0.00 173.10 172.06 1b4u s THR 190 N -0.14 1.80 0.00 0.90 -4.23 -0.14 -2.54 115.64 111.29 1b4u s THR 190 Ca -0.03 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1b4u s THR 190 Cb -0.14 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1b4u s THR 190 CO 0.04 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 1b4u n GLY 191 N -0.70 0.98 0.00 3.99 0.00 -0.62 -4.67 105.19 104.17 1b4u n GLY 191 Ca -0.05 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.64 -1.01 0.00 -0.02 0.00 -1.26 -4.14 105.19 98.11 1b4u n GLY 192 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.89 0.00 -1.72 1.61 0.00 0.05 -4.61 117.12 111.56 1b4u n MET 193 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.28 1b4u n MET 193 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1b4u n MET 193 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1b4u n SER 194 N 0.00 2.94 0.00 7.83 3.41 -1.26 -4.45 113.62 122.09 1b4u n SER 194 Ca 0.00 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.79 1b4u n SER 194 Cb 0.00 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.43 1b4u n SER 194 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4u n HIS 195 N 0.19 0.00 -3.82 7.33 1.44 -0.26 -1.94 115.22 118.17 1b4u n HIS 195 Ca 0.04 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.60 1b4u n HIS 195 Cb 0.38 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.33 1b4u n HIS 195 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1b4u s GLN 196 N -2.00 0.07 0.00 -1.40 0.74 -1.26 -1.64 119.66 114.18 1b4u s GLN 196 Ca 0.00 0.15 0.17 0.00 0.05 0.00 0.00 55.36 55.73 1b4u s GLN 196 Cb 0.00 -0.33 0.07 0.00 1.10 0.00 0.00 33.01 33.85 1b4u s GLN 196 CO 0.00 -0.16 0.95 1.28 -0.55 0.00 0.00 175.29 176.81 1b4u n LEU 197 N 4.18 2.03 -4.11 3.68 4.32 -1.26 -2.41 117.00 123.42 1b4u n LEU 197 Ca -0.27 -0.88 -0.19 0.00 -0.02 0.00 0.00 56.01 54.64 1b4u n LEU 197 Cb 0.50 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.17 1b4u n LEU 197 CO 0.22 0.37 -0.45 0.00 -1.22 0.00 0.00 177.39 176.31 1b4u s GLN 198 N -1.66 0.88 1.45 3.23 -2.07 -1.26 -4.95 119.66 115.28 1b4u s GLN 198 Ca 0.17 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 53.04 1b4u s GLN 198 Cb 0.14 -0.86 0.00 0.00 -1.09 0.00 0.00 33.01 31.19 1b4u s GLN 198 CO 0.31 0.22 0.00 0.41 -1.32 0.00 0.00 175.29 174.90 1b4u n GLY 199 N 2.09 -1.49 0.30 2.60 0.00 -1.26 -3.12 105.19 104.31 1b4u n GLY 199 Ca -0.17 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.10 1.61 0.11 -2.02 -0.27 132.00 131.34 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 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 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 -4.49 1.47 -1.55 1.05 0.63 -1.26 -4.95 116.66 107.56 1b4u n ARG 201 Ca 0.01 -0.71 -0.38 0.00 -0.92 0.00 0.00 57.85 55.85 1b4u n ARG 201 Cb 0.25 -1.36 0.04 0.00 0.45 0.00 0.00 32.46 31.84 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 -0.07 -0.40 -0.09 5.13 0.00 -0.11 -2.99 120.51 121.98 1b4u n ALA 202 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1b4u n ALA 202 Cb 0.24 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 1.50 0.61 3.67 0.00 0.00 -1.01 -5.00 105.19 104.96 1b4u n GLY 203 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 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 3.13 -4.11 0.99 7.94 -1.16 -4.91 117.00 118.88 1b4u n LEU 204 Ca 0.00 1.06 -0.18 0.00 -1.11 0.00 0.00 56.01 55.79 1b4u n LEU 204 Cb 0.00 -1.41 -0.13 0.00 0.53 0.00 0.00 43.42 42.41 1b4u n LEU 204 CO 0.00 -0.26 -0.44 -0.63 -1.11 0.00 0.00 177.39 174.95 1b4u s ILE 205 N 1.47 0.90 -0.38 1.96 -1.09 -1.26 -3.84 121.20 118.97 1b4u s ILE 205 Ca 0.81 -1.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.25 1b4u s ILE 205 Cb -0.69 -0.86 0.16 0.00 -1.58 0.00 0.00 42.46 39.49 1b4u s ILE 205 CO 0.40 -0.13 0.34 0.21 -1.23 0.00 0.00 174.94 174.54 1b4u s ASN 206 N -1.28 1.59 0.43 3.58 3.04 -1.26 -4.98 114.94 116.06 1b4u s ASN 206 Ca -0.02 -2.10 0.19 0.00 0.04 0.00 0.00 52.86 50.97 1b4u s ASN 206 Cb -0.08 0.15 0.97 0.00 -1.54 0.00 0.00 41.25 40.74 1b4u s ASN 206 CO 0.01 -0.24 1.90 0.50 -3.04 0.00 0.00 177.10 176.23 1b4u h LYS 207 N 6.61 0.00 -0.18 0.43 3.64 -1.99 -1.44 116.57 123.63 1b4u h LYS 207 Ca 0.10 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1b4u h LYS 207 Cb 1.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1b4u h LYS 207 CO 0.24 0.27 -0.08 1.49 -2.27 0.00 0.00 179.45 179.11 1b4u h GLU 208 N 0.00 0.38 -0.62 1.90 4.81 -1.98 -1.28 114.58 117.79 1b4u h GLU 208 Ca -0.00 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1b4u h GLU 208 Cb 0.58 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 1b4u h GLU 208 CO 0.04 0.67 0.38 0.35 -0.73 0.00 0.00 179.01 179.72 1b4u h PHE 209 N 0.07 0.71 -0.13 0.92 3.04 -1.82 -1.21 116.94 118.53 1b4u h PHE 209 Ca 0.04 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1b4u h PHE 209 Cb 0.55 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1b4u h PHE 209 CO 0.06 0.41 0.01 -0.44 -2.02 0.00 0.00 178.31 176.33 1b4u h ASP 210 N 0.75 0.21 -0.02 0.41 3.32 -1.05 0.30 116.42 120.35 1b4u h ASP 210 Ca 0.25 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 1b4u h ASP 210 Cb 0.02 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1b4u h ASP 210 CO -0.10 0.44 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.46 1b4u h LEU 211 N -0.02 0.51 -0.78 1.55 3.38 -1.20 -1.14 115.31 117.60 1b4u h LEU 211 Ca 0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1b4u h LEU 211 Cb 0.33 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1b4u h LEU 211 CO 0.00 0.82 0.37 -1.13 0.09 0.00 0.00 178.44 178.59 1b4u h ASN 212 N 0.42 1.02 -0.29 -0.43 -1.24 -0.71 -2.22 115.58 112.14 1b4u h ASN 212 Ca 0.05 -0.14 0.02 0.00 0.71 0.00 0.00 56.30 56.94 1b4u h ASN 212 Cb 0.79 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1b4u h ASN 212 CO 0.06 0.88 0.15 0.15 -1.29 0.00 0.00 177.43 177.38 1b4u h PHE 213 N 1.10 0.28 -0.09 0.67 3.04 0.09 -1.79 116.94 120.23 1b4u h PHE 213 Ca 0.27 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.25 1b4u h PHE 213 Cb 0.13 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 1b4u h PHE 213 CO 0.01 0.16 -0.05 0.82 -2.02 0.00 0.00 178.31 177.23 1b4u h ILE 214 N 0.31 0.85 -0.39 1.41 2.04 -1.09 -0.95 117.51 119.69 1b4u h ILE 214 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.06 1b4u h ILE 214 Cb 0.03 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 1b4u h ILE 214 CO -0.08 0.00 -0.18 -0.78 0.00 0.00 0.00 178.15 177.11 1b4u h ASP 215 N -0.04 -0.63 0.85 1.72 3.58 -0.93 -1.95 116.42 119.02 1b4u h ASP 215 Ca 0.05 0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.56 1b4u h ASP 215 Cb 0.12 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1b4u h ASP 215 CO -0.12 -0.22 -0.43 0.11 -2.88 0.00 0.00 179.24 175.71 1b4u h LYS 216 N -0.11 0.00 -0.56 0.28 1.57 -1.30 -2.06 116.57 114.39 1b4u h LYS 216 Ca 0.19 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 1b4u h LYS 216 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1b4u h LYS 216 CO -0.46 0.43 -0.07 1.25 -0.57 0.00 0.00 179.45 180.02 1b4u h LEU 217 N 0.00 1.03 -0.17 2.94 5.85 -0.41 0.39 115.31 124.93 1b4u h LEU 217 Ca -0.00 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 1b4u h LEU 217 Cb 0.97 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1b4u h LEU 217 CO 0.06 1.12 0.00 0.40 -0.34 0.00 0.00 178.44 179.68 1b4u h ILE 218 N 0.92 1.25 0.00 4.05 2.04 -1.26 -3.37 117.51 121.14 1b4u h ILE 218 Ca 0.15 -0.84 -0.23 0.00 1.00 0.00 0.00 64.86 64.94 1b4u h ILE 218 Cb 0.64 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1b4u h ILE 218 CO 0.04 0.25 -1.87 -1.54 0.00 0.00 0.00 178.15 175.04 1b4u n SER 219 N -4.73 2.30 -3.35 1.72 3.41 -0.79 -4.72 113.62 107.46 1b4u n SER 219 Ca -0.05 -0.04 -0.26 0.00 -0.26 0.00 0.00 58.87 58.27 1b4u n SER 219 Cb 0.22 0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 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 -2.67 0.82 -0.08 4.04 -0.08 0.13 -4.96 116.55 113.75 1b4u n ASP 220 Ca -0.23 -2.77 -0.04 0.00 -1.51 0.00 0.00 54.79 50.24 1b4u n ASP 220 Cb 0.86 -0.63 0.17 0.00 2.34 0.00 0.00 41.12 43.85 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 4.63 0.73 -0.47 -0.67 0.13 -1.62 -2.46 132.00 132.27 1b4u h PRO 221 Ca 0.16 -0.21 0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1b4u h PRO 221 Cb 0.84 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 31.82 1b4u h PRO 221 CO 0.52 0.78 0.04 1.49 -0.23 0.00 0.00 178.00 180.60 1b4u h GLU 222 N 0.68 0.16 -0.10 0.86 4.81 -1.93 0.24 114.58 119.30 1b4u h GLU 222 Ca 0.13 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1b4u h GLU 222 Cb 0.50 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1b4u h GLU 222 CO 0.03 0.10 -0.37 1.49 -0.73 0.00 0.00 179.01 179.53 1b4u h GLU 223 N 0.16 0.20 -0.00 1.92 4.81 -1.84 -2.90 114.58 116.93 1b4u h GLU 223 Ca 0.23 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 1b4u h GLU 223 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1b4u h GLU 223 CO -0.35 0.54 -0.72 1.25 -0.73 0.00 0.00 179.01 179.00 1b4u h LEU 224 N 0.17 0.01 -0.44 1.64 5.85 -0.49 -2.36 115.31 119.70 1b4u h LEU 224 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1b4u h LEU 224 Cb 0.74 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1b4u h LEU 224 CO 0.06 0.73 0.00 -1.54 -0.34 0.00 0.00 178.44 177.35 1b4u n SER 225 N -3.69 0.25 0.02 1.25 3.41 0.61 -1.54 113.62 113.94 1b4u n SER 225 Ca -0.01 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1b4u n SER 225 Cb 0.70 -0.63 0.21 0.00 -0.26 0.00 0.00 64.21 64.24 1b4u n SER 225 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b4u n LYS 226 N -1.80 0.13 -1.94 4.33 5.02 -0.89 -1.91 118.16 121.11 1b4u n LYS 226 Ca 0.01 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 1b4u n LYS 226 Cb 0.10 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.08 4.22 0.56 1.97 1.75 -0.59 -4.97 119.30 119.16 1b4u s MET 227 Ca 0.09 2.37 -0.12 0.00 -1.25 0.00 0.00 55.69 56.77 1b4u s MET 227 Cb 0.16 -3.13 -0.05 0.00 2.84 0.00 0.00 34.83 34.64 1b4u s MET 227 CO 0.71 -0.57 0.97 -1.25 -0.65 0.00 0.00 175.02 174.23 1b4u s PRO 228 N 0.69 3.72 0.24 4.11 0.04 -1.26 -4.60 135.00 137.94 1b4u s PRO 228 Ca 0.67 0.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.38 1b4u s PRO 228 Cb -0.44 -2.15 0.39 0.00 0.04 0.00 0.00 34.50 32.35 1b4u s PRO 228 CO 0.35 -0.40 1.63 0.45 0.04 0.00 0.00 177.00 179.07 1b4u h HIS 229 N 0.25 -0.13 -0.67 0.56 3.86 -1.97 -1.11 115.15 115.93 1b4u h HIS 229 Ca -0.45 0.06 0.17 0.00 -1.16 0.00 0.00 60.37 58.98 1b4u h HIS 229 Cb 1.19 0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.80 1b4u h HIS 229 CO 0.64 -0.26 0.47 0.97 0.86 0.00 0.00 177.93 180.61 1b4u h ILE 230 N 0.07 0.73 -0.13 2.45 6.09 -1.99 -2.00 117.51 122.72 1b4u h ILE 230 Ca 0.39 -0.05 -0.10 0.00 -1.37 0.00 0.00 64.86 63.73 1b4u h ILE 230 Cb 0.66 0.56 0.00 0.00 0.47 0.00 0.00 36.82 38.51 1b4u h ILE 230 CO -0.68 0.03 -0.29 -0.61 -3.07 0.00 0.00 178.15 173.53 1b4u h GLN 231 N 0.16 0.43 -0.54 2.19 4.15 -1.58 -0.39 115.11 119.52 1b4u h GLN 231 Ca 0.32 -0.29 0.10 0.00 0.77 0.00 0.00 58.65 59.56 1b4u h GLN 231 Cb 1.06 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.70 1b4u h GLN 231 CO -0.05 0.90 0.08 1.88 -1.93 0.00 0.00 178.83 179.71 1b4u h TYR 232 N 0.03 0.12 -0.39 3.99 -1.99 -1.46 -1.58 116.97 115.69 1b4u h TYR 232 Ca 0.00 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.69 1b4u h TYR 232 Cb 0.89 0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1b4u h TYR 232 CO 0.10 -0.05 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.09 1b4u h LEU 233 N 0.21 0.73 0.27 3.88 4.07 -1.23 0.26 115.31 123.50 1b4u h LEU 233 Ca 0.28 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1b4u h LEU 233 Cb 0.41 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1b4u h LEU 233 CO -0.39 0.90 -0.13 0.03 -1.08 0.00 0.00 178.44 177.77 1b4u h ARG 234 N 0.55 -0.36 0.05 1.13 3.08 -0.98 -3.16 114.38 114.70 1b4u h ARG 234 Ca 0.10 0.02 -0.29 0.00 0.07 0.00 0.00 59.98 59.89 1b4u h ARG 234 Cb 0.56 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1b4u h ARG 234 CO 0.03 -0.17 -1.59 0.93 -1.07 0.00 0.00 179.97 178.10 1b4u h GLU 235 N -0.47 0.11 -0.20 0.04 4.39 -1.30 -3.40 114.58 113.76 1b4u h GLU 235 Ca -0.04 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1b4u h GLU 235 Cb 0.35 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1b4u h GLU 235 CO 0.06 0.84 0.00 -1.13 -1.16 0.00 0.00 179.01 177.62 1b4u n SER 236 N -3.26 2.71 0.00 1.42 3.41 0.91 -4.62 113.62 114.18 1b4u n SER 236 Ca -0.16 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 1b4u n SER 236 Cb 1.03 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 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 -0.09 -1.18 0.27 5.00 0.00 -1.19 -1.10 105.19 106.90 1b4u n GLY 237 Ca 0.09 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.58 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 0.20 0.12 1.61 4.64 -1.68 0.13 113.55 118.57 1b4u h SER 238 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1b4u h SER 238 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1b4u h SER 238 CO 0.00 0.19 -0.15 -0.62 -0.87 0.00 0.00 176.83 175.38 1b4u n GLU 239 N -4.46 1.21 0.00 4.77 4.71 -0.65 -3.76 120.64 122.46 1b4u n GLU 239 Ca -0.01 -0.73 0.09 0.00 -0.01 0.00 0.00 57.16 56.51 1b4u n GLU 239 Cb 0.12 -1.48 0.48 0.00 -1.01 0.00 0.00 31.44 29.54 1b4u n GLU 239 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1b4u n GLY 240 N 1.28 -0.83 0.26 0.62 0.00 0.03 -2.39 105.19 104.15 1b4u n GLY 240 Ca 0.15 -0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1b4u n GLY 240 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b4u h VAL 241 N 0.00 0.00 -0.48 1.61 3.04 -1.71 -2.20 116.25 116.51 1b4u h VAL 241 Ca 0.00 -0.16 0.14 0.00 -1.01 0.00 0.00 66.70 65.67 1b4u h VAL 241 Cb 0.14 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 1b4u h VAL 241 CO 0.00 0.00 0.39 -0.33 -1.01 0.00 0.00 177.57 176.62 1b4u h GLU 242 N 0.00 0.00 -0.21 4.17 5.08 -1.79 -1.30 114.58 120.52 1b4u h GLU 242 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1b4u h GLU 242 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1b4u h GLU 242 CO 0.00 0.00 0.34 -0.07 -1.00 0.00 0.00 179.01 178.28 1b4u h LEU 243 N 0.00 0.00 -2.09 1.33 3.38 -1.67 -2.40 115.31 113.86 1b4u h LEU 243 Ca 0.23 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1b4u h LEU 243 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1b4u h LEU 243 CO -0.00 0.00 0.22 -0.37 0.09 0.00 0.00 178.44 178.38 1b4u h VAL 244 N 0.00 0.69 -0.06 1.22 -1.51 -1.48 0.11 116.25 115.22 1b4u h VAL 244 Ca 0.10 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.59 1b4u h VAL 244 Cb 0.79 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1b4u h VAL 244 CO -0.00 0.00 0.05 0.24 -1.23 0.00 0.00 177.57 176.63 1b4u h MET 245 N 0.00 0.00 0.00 5.19 2.86 -1.67 -1.30 114.93 120.01 1b4u h MET 245 Ca 0.13 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1b4u h MET 245 Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1b4u h MET 245 CO -0.00 0.00 -0.09 -1.49 1.06 0.00 0.00 176.91 176.39 1b4u h TRP 246 N 0.00 0.00 0.00 -0.22 4.06 -1.15 -1.64 115.95 116.99 1b4u h TRP 246 Ca 0.03 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1b4u h TRP 246 Cb 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1b4u h TRP 246 CO 0.00 0.09 -0.08 -0.07 -3.56 0.00 0.00 178.44 174.82 1b4u h LEU 247 N 0.00 0.00 -0.09 -4.49 3.38 -1.31 -1.83 115.31 110.96 1b4u h LEU 247 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1b4u h LEU 247 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1b4u h LEU 247 CO 0.01 0.08 -0.60 0.40 0.09 0.00 0.00 178.44 178.42 1b4u h ILE 248 N 0.00 1.35 -0.83 1.22 2.04 -1.35 -0.44 117.51 119.50 1b4u h ILE 248 Ca -0.00 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 63.97 1b4u h ILE 248 Cb 0.56 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1b4u h ILE 248 CO 0.01 0.58 0.54 -0.03 0.00 0.00 0.00 178.15 179.25 1b4u h MET 249 N 0.20 1.05 0.00 2.37 4.05 -1.40 -2.82 114.93 118.39 1b4u h MET 249 Ca -0.05 -0.06 -0.22 0.00 -0.28 0.00 0.00 59.70 59.09 1b4u h MET 249 Cb 1.25 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1b4u h MET 249 CO 0.12 0.70 -0.93 -0.09 0.23 0.00 0.00 176.91 176.94 1b4u h ARG 250 N 1.09 0.34 0.00 0.39 9.65 -1.02 -1.53 114.38 123.30 1b4u h ARG 250 Ca 0.32 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1b4u h ARG 250 Cb -0.07 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1b4u h ARG 250 CO -0.09 1.06 0.00 0.78 2.80 0.00 0.00 179.97 184.52 1b4u h GLY 251 N 1.44 0.00 0.02 2.80 0.00 -0.87 -2.00 103.07 104.46 1b4u h GLY 251 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1b4u h GLY 251 CO 0.15 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.69 1b4u n ALA 252 N -1.86 2.60 -2.68 3.60 0.00 -0.57 -2.06 120.51 119.54 1b4u n ALA 252 Ca 0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.86 1b4u n ALA 252 Cb 0.19 -1.27 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.86 3.34 1.22 0.00 1.43 -0.75 -4.77 118.68 117.29 1b4u s LEU 253 Ca 0.38 -0.51 -0.18 0.00 -1.03 0.00 0.00 54.13 52.80 1b4u s LEU 253 Cb 0.19 -1.90 0.29 0.00 0.03 0.00 0.00 46.19 44.80 1b4u s LEU 253 CO 0.31 0.02 1.05 -2.16 0.23 0.00 0.00 176.35 175.80 1b4u s PRO 254 N -3.52 -1.32 0.24 1.29 0.04 -1.26 -4.90 135.00 125.56 1b4u s PRO 254 Ca 0.31 0.19 -0.05 0.00 0.04 0.00 0.00 61.00 61.49 1b4u s PRO 254 Cb -0.07 -1.56 0.40 0.00 0.04 0.00 0.00 34.50 33.30 1b4u s PRO 254 CO 0.20 -3.83 1.77 1.49 0.04 0.00 0.00 177.00 176.68 1b4u h GLU 255 N -2.67 0.58 -4.63 4.56 4.81 -1.98 -3.39 114.58 111.86 1b4u h GLU 255 Ca -0.49 -0.03 -0.70 0.00 -0.13 0.00 0.00 59.36 58.01 1b4u h GLU 255 Cb 1.32 -0.13 -0.26 0.00 0.63 0.00 0.00 28.75 30.30 1b4u h GLU 255 CO 0.39 0.38 -0.56 0.15 -0.73 0.00 0.00 179.01 178.65 1b4u s LYS 256 N -6.03 2.75 0.32 1.92 3.01 -1.26 -4.95 119.74 115.49 1b4u s LYS 256 Ca -0.12 -1.11 0.07 0.00 -1.01 0.00 0.00 55.97 53.79 1b4u s LYS 256 Cb 0.19 -3.60 -0.06 0.00 -1.01 0.00 0.00 37.83 33.34 1b4u s LYS 256 CO 0.77 -0.68 -0.03 0.14 0.51 0.00 0.00 175.35 176.06 1b4u s VAL 257 N 1.49 1.72 -0.18 3.17 -7.23 -1.26 -0.05 120.40 118.06 1b4u s VAL 257 Ca 0.00 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1b4u s VAL 257 Cb -0.19 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.14 1b4u s VAL 257 CO 0.05 -0.18 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.94 1b4u s ARG 258 N -3.74 2.23 -0.28 4.82 3.52 0.79 -4.59 118.95 121.70 1b4u s ARG 258 Ca 0.32 -0.72 -0.29 0.00 -0.13 0.00 0.00 55.73 54.91 1b4u s ARG 258 Cb 0.06 -2.30 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 1b4u s ARG 258 CO 0.14 -0.33 1.78 0.16 -0.81 0.00 0.00 175.30 176.25 1b4u s ASP 259 N 1.42 6.02 0.13 -2.12 -4.77 -1.26 -2.22 116.67 113.87 1b4u s ASP 259 Ca 0.02 1.48 -0.02 0.00 -3.30 0.00 0.00 52.55 50.73 1b4u s ASP 259 Cb -0.15 -2.53 -0.10 0.00 -1.09 0.00 0.00 42.92 39.06 1b4u s ASP 259 CO -0.10 -1.57 1.30 -0.07 0.70 0.00 0.00 175.17 175.43 1b4u h LEU 260 N 13.09 0.41 -7.00 2.11 3.38 -1.28 -3.46 115.31 122.56 1b4u h LEU 260 Ca -0.35 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 1b4u h LEU 260 Cb 1.17 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.57 1b4u h LEU 260 CO 1.01 1.17 0.17 -0.47 0.09 0.00 0.00 178.44 180.42 1b4u s TYR 261 N -3.13 -0.79 -0.02 1.13 5.04 -1.23 -0.09 117.35 118.26 1b4u s TYR 261 Ca -0.04 1.81 0.01 0.00 -2.44 0.00 0.00 57.07 56.40 1b4u s TYR 261 Cb 0.09 0.37 0.01 0.00 0.35 0.00 0.00 41.96 42.78 1b4u s TYR 261 CO 0.86 -0.38 -0.03 0.99 -1.34 0.00 0.00 175.55 175.64 1b4u s THR 262 N 0.70 0.34 -0.02 4.34 2.01 0.10 -1.84 115.64 121.27 1b4u s THR 262 Ca -0.02 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.92 1b4u s THR 262 Cb -0.05 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1b4u s THR 262 CO -0.06 0.14 -0.17 0.12 -0.69 0.00 0.00 174.62 173.96 1b4u s PHE 263 N 0.39 1.55 -0.03 4.92 5.36 0.36 -1.58 117.98 128.95 1b4u s PHE 263 Ca -0.04 -0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 55.54 1b4u s PHE 263 Cb -0.07 -1.01 0.01 0.00 -0.34 0.00 0.00 43.02 41.60 1b4u s PHE 263 CO -0.01 -0.06 0.14 -0.47 -1.46 0.00 0.00 175.22 173.37 1b4u s TYR 264 N -0.29 -0.08 -0.23 10.12 5.04 -0.52 -1.12 117.35 130.26 1b4u s TYR 264 Ca 0.04 0.18 -0.16 0.00 -2.44 0.00 0.00 57.07 54.70 1b4u s TYR 264 Cb -0.08 0.01 0.07 0.00 0.35 0.00 0.00 41.96 42.31 1b4u s TYR 264 CO -0.00 -0.16 0.59 -1.58 -1.34 0.00 0.00 175.55 173.06 1b4u s HIS 265 N -0.49 -0.82 -0.04 4.97 5.65 -0.42 -0.44 115.29 123.70 1b4u s HIS 265 Ca -0.06 1.76 0.03 0.00 0.25 0.00 0.00 55.06 57.04 1b4u s HIS 265 Cb -0.04 0.41 0.01 0.00 -1.18 0.00 0.00 32.58 31.78 1b4u s HIS 265 CO 0.01 -0.42 -0.12 0.42 -0.65 0.00 0.00 174.74 173.98 1b4u s ILE 266 N 1.16 1.06 0.48 0.89 1.01 -1.02 -0.48 121.20 124.30 1b4u s ILE 266 Ca -0.07 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.18 1b4u s ILE 266 Cb -0.06 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.49 1b4u s ILE 266 CO -0.12 0.33 0.54 -2.16 0.00 0.00 0.00 174.94 173.53 1b4u s PRO 267 N 0.34 2.51 -0.29 2.79 0.04 -1.26 -4.01 135.00 135.12 1b4u s PRO 267 Ca -0.08 -1.56 -0.04 0.00 0.04 0.00 0.00 61.00 59.36 1b4u s PRO 267 Cb -0.12 -2.50 0.10 0.00 0.04 0.00 0.00 34.50 32.02 1b4u s PRO 267 CO 0.02 -0.46 0.14 0.00 0.04 0.00 0.00 177.00 176.74 1b4u s ALA 268 N -2.54 0.64 0.00 8.56 0.00 0.03 -4.94 121.76 123.51 1b4u s ALA 268 Ca 0.51 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1b4u s ALA 268 Cb -0.05 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.66 1b4u s ALA 268 CO 0.31 -1.68 0.00 0.45 0.00 0.00 0.00 175.76 174.84 1b4u n SER 269 N 5.17 0.00 -0.67 0.00 2.88 -1.26 -1.60 113.62 118.14 1b4u n SER 269 Ca -0.05 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.57 1b4u n SER 269 Cb 0.42 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.97 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 10.19 2.48 -4.32 -3.46 3.02 -1.26 -5.03 115.26 116.87 1b4u n ASN 270 Ca 0.00 -1.71 -0.17 0.00 -0.03 0.00 0.00 54.58 52.67 1b4u n ASN 270 Cb 0.00 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.01 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 -1.25 1.45 -0.37 3.41 -4.23 -0.63 -4.54 115.64 109.49 1b4u s THR 271 Ca 0.21 -2.13 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 1b4u s THR 271 Cb 0.14 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.94 1b4u s THR 271 CO 0.20 -0.59 0.76 0.00 -0.54 0.00 0.00 174.62 174.45 1b4u s ALA 272 N -3.15 3.42 0.08 3.99 0.00 -0.82 -0.79 121.76 124.49 1b4u s ALA 272 Ca 0.22 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.16 1b4u s ALA 272 Cb 0.02 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1b4u s ALA 272 CO 0.05 -1.51 0.92 -1.17 0.00 0.00 0.00 175.76 174.04 1b4u s LEU 273 N 3.06 4.47 0.13 0.00 0.20 0.37 -0.77 118.68 126.13 1b4u s LEU 273 Ca 0.30 1.69 0.05 0.00 0.69 0.00 0.00 54.13 56.85 1b4u s LEU 273 Cb -0.13 -3.50 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 1b4u s LEU 273 CO 0.17 -0.08 -0.11 -0.83 -0.29 0.00 0.00 176.35 175.22 1b4u s GLY 274 N 0.15 1.02 -0.06 7.98 0.00 -1.26 -1.30 107.32 113.85 1b4u s GLY 274 Ca 0.46 -1.39 -0.27 0.00 0.00 0.00 0.00 44.72 43.52 1b4u s GLY 274 CO 0.28 -1.48 0.60 0.00 0.00 0.00 0.00 173.10 172.50 1b4u s ALA 275 N -2.91 -1.56 0.23 3.20 0.00 -0.28 -1.72 121.76 118.73 1b4u s ALA 275 Ca 0.13 1.18 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 1b4u s ALA 275 Cb -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.05 1b4u s ALA 275 CO 0.01 -0.34 0.71 0.00 0.00 0.00 0.00 175.76 176.13 1b4u s MET 276 N -1.04 1.59 -0.04 0.00 0.23 -0.48 -0.49 119.30 119.07 1b4u s MET 276 Ca -0.10 -0.81 0.01 0.00 -1.03 0.00 0.00 55.69 53.76 1b4u s MET 276 Cb -0.02 0.59 0.02 0.00 -1.53 0.00 0.00 34.83 33.89 1b4u s MET 276 CO 0.08 -0.72 -0.03 0.42 -2.03 0.00 0.00 175.02 172.74 1b4u s ILE 277 N -3.81 0.43 -0.00 3.16 1.01 -0.76 -2.20 121.20 119.02 1b4u s ILE 277 Ca 0.08 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.71 1b4u s ILE 277 Cb -0.04 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.94 1b4u s ILE 277 CO 0.01 0.20 -0.14 -0.76 0.00 0.00 0.00 174.94 174.25 1b4u s LEU 278 N 0.92 2.05 0.09 2.97 1.43 -0.19 -0.71 118.68 125.23 1b4u s LEU 278 Ca -0.11 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1b4u s LEU 278 Cb -0.14 -0.70 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1b4u s LEU 278 CO -0.00 0.15 -0.14 -1.10 0.23 0.00 0.00 176.35 175.49 1b4u s GLN 279 N -0.43 0.88 -0.02 1.70 -0.21 -0.94 -1.47 119.66 119.16 1b4u s GLN 279 Ca 0.05 -1.06 -0.40 0.00 0.02 0.00 0.00 55.36 53.97 1b4u s GLN 279 Cb -0.06 -0.81 -0.19 0.00 1.00 0.00 0.00 33.01 32.95 1b4u s GLN 279 CO -0.00 0.17 1.16 -2.30 -2.12 0.00 0.00 175.29 172.20 1b4u n PRO 280 N 0.98 0.21 -0.35 2.91 -0.02 -1.26 -0.15 135.00 137.32 1b4u n PRO 280 Ca -0.19 0.07 0.09 0.00 -2.02 0.00 0.00 63.50 61.46 1b4u n PRO 280 Cb 0.55 -1.60 0.19 0.00 -0.02 0.00 0.00 33.50 32.63 1b4u n PRO 280 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1b4u n GLU 281 N 1.90 -0.08 0.30 -0.52 4.07 0.93 -0.89 120.64 126.34 1b4u n GLU 281 Ca 0.21 1.50 0.18 0.00 -0.06 0.00 0.00 57.16 58.99 1b4u n GLU 281 Cb 0.09 -2.29 0.90 0.00 -0.06 0.00 0.00 31.44 30.08 1b4u n GLU 281 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1b4u h GLU 282 N 0.00 0.00 0.00 5.31 5.08 -1.87 -3.10 114.58 120.00 1b4u h GLU 282 Ca 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1b4u h GLU 282 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1b4u h GLU 282 CO -0.97 0.03 0.00 0.25 -1.00 0.00 0.00 179.01 177.32 1b4u n THR 283 N -3.23 0.00 -1.60 1.13 -2.24 -0.81 -5.10 114.28 102.43 1b4u n THR 283 Ca -0.01 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1b4u n THR 283 Cb 0.20 1.54 0.03 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.07 0.08 -1.67 6.98 0.00 -0.07 -4.97 120.51 120.79 1b4u n ALA 284 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1b4u n ALA 284 Cb 0.14 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 1.27 0.14 3.77 0.00 0.00 -1.26 -5.04 105.19 104.06 1b4u n GLY 285 Ca 0.11 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 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 0.08 4.14 0.65 2.61 2.01 -1.26 -5.00 115.64 118.87 1b4u s THR 286 Ca 0.00 1.92 -0.17 0.00 0.31 0.00 0.00 61.69 63.75 1b4u s THR 286 Cb 0.00 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.38 1b4u s THR 286 CO 0.00 0.28 1.18 -2.84 -0.69 0.00 0.00 174.62 172.55 1b4u s PRO 287 N -1.72 2.67 1.20 4.92 0.02 -1.26 -4.95 135.00 135.89 1b4u s PRO 287 Ca 0.47 1.70 -0.19 0.00 0.02 0.00 0.00 61.00 62.99 1b4u s PRO 287 Cb -0.22 -1.91 0.29 0.00 0.02 0.00 0.00 34.50 32.69 1b4u s PRO 287 CO 0.27 -1.41 1.12 -0.51 -0.33 0.00 0.00 177.00 176.14 1b4u s LEU 288 N -4.59 0.74 -0.12 -5.54 1.43 0.86 -4.95 118.68 106.51 1b4u s LEU 288 Ca 0.74 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 54.39 1b4u s LEU 288 Cb -0.27 -2.33 0.06 0.00 0.03 0.00 0.00 46.19 43.68 1b4u s LEU 288 CO 0.39 -4.11 0.25 -0.70 0.23 0.00 0.00 176.35 172.41 1b4u s GLU 289 N -5.44 0.14 0.72 1.70 2.56 -1.26 -2.78 118.70 114.34 1b4u s GLU 289 Ca 0.71 0.72 -0.15 0.00 0.00 0.00 0.00 54.97 56.25 1b4u s GLU 289 Cb -0.09 -0.06 0.04 0.00 2.00 0.00 0.00 34.13 36.01 1b4u s GLU 289 CO 0.56 -0.28 1.21 -1.25 -0.56 0.00 0.00 175.26 174.94 1b4u s PRO 290 N 2.35 2.17 0.27 4.30 0.04 -1.26 -5.07 135.00 137.80 1b4u s PRO 290 Ca 0.01 1.78 0.15 0.00 0.04 0.00 0.00 61.00 62.97 1b4u s PRO 290 Cb -0.12 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.65 1b4u s PRO 290 CO -0.08 -1.82 1.44 -0.09 0.04 0.00 0.00 177.00 176.50 1b4u h ARG 291 N -0.24 0.00 -3.21 4.56 2.43 -1.81 -3.46 114.38 112.66 1b4u h ARG 291 Ca -0.48 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.43 1b4u h ARG 291 Cb 1.30 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 30.52 1b4u h ARG 291 CO 0.50 0.52 -0.62 0.21 -1.51 0.00 0.00 179.97 179.07 1b4u s LYS 292 N -2.96 0.07 -0.06 0.20 2.20 -1.26 -0.72 119.74 117.21 1b4u s LYS 292 Ca 0.04 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 1b4u s LYS 292 Cb 0.08 -0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.20 1b4u s LYS 292 CO 0.75 -0.21 -0.04 0.14 -0.36 0.00 0.00 175.35 175.62 1b4u s VAL 293 N 1.55 0.59 -0.20 4.02 -7.23 -0.61 -4.94 120.40 113.57 1b4u s VAL 293 Ca -0.05 -0.11 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 1b4u s VAL 293 Cb -0.12 -0.64 0.00 0.00 0.56 0.00 0.00 36.38 36.19 1b4u s VAL 293 CO -0.06 0.26 -0.11 -0.04 -0.31 0.00 0.00 175.10 174.84 1b4u s MET 294 N 1.22 3.21 0.39 4.82 1.00 -1.26 -1.44 119.30 127.25 1b4u s MET 294 Ca -0.06 -0.72 0.06 0.00 0.00 0.00 0.00 55.69 54.97 1b4u s MET 294 Cb -0.14 -2.80 -0.07 0.00 0.00 0.00 0.00 34.83 31.82 1b4u s MET 294 CO -0.02 -0.18 0.03 -1.54 0.00 0.00 0.00 175.02 173.31 1b4u s SER 295 N 1.33 3.38 0.00 3.03 1.04 0.42 -4.93 113.70 117.98 1b4u s SER 295 Ca 0.04 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.08 1b4u s SER 295 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1b4u s SER 295 CO -0.07 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1b4u n GLY 296 N -0.90 3.03 0.29 7.32 0.00 -1.26 -2.45 105.19 111.23 1b4u n GLY 296 Ca -0.05 -1.83 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1b4u n GLY 296 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1b4u h HIS 297 N 0.00 0.00 -0.47 1.61 2.76 -2.00 0.23 115.15 117.28 1b4u h HIS 297 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1b4u h HIS 297 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1b4u h HIS 297 CO 0.00 0.00 0.00 -1.13 -1.30 0.00 0.00 177.93 175.50 1b4u n SER 298 N -4.19 3.29 -0.36 3.26 3.41 -1.26 -5.21 113.62 112.56 1b4u n SER 298 Ca -0.01 -1.97 0.05 0.00 -0.26 0.00 0.00 58.87 56.68 1b4u n SER 298 Cb 0.17 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.85 1b4u n SER 298 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06