#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bko s GLU 10 N 0.00 4.00 0.51 -3.48 2.12 -1.26 -5.02 118.70 115.57 2bko s GLU 10 Ca 0.00 0.70 -0.23 0.00 0.36 0.00 0.00 54.97 55.80 2bko s GLU 10 Cb 0.00 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.61 2bko s GLU 10 CO 0.00 -0.69 1.39 -1.25 -0.54 0.00 0.00 175.26 174.17 2bko s PRO 11 N 3.04 3.34 0.35 4.30 0.04 -1.26 -5.01 135.00 139.79 2bko s PRO 11 Ca 0.34 2.32 -0.06 0.00 0.04 0.00 0.00 61.00 63.64 2bko s PRO 11 Cb -0.14 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 2bko s PRO 11 CO 0.12 -1.06 0.64 0.15 0.04 0.00 0.00 177.00 176.89 2bko s LYS 12 N -2.74 3.65 0.35 4.56 1.02 -1.26 -5.09 119.74 120.23 2bko s LYS 12 Ca 0.68 0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.82 2bko s LYS 12 Cb -0.42 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 2bko s LYS 12 CO 0.51 0.09 0.53 -1.54 -0.92 0.00 0.00 175.35 174.03 2bko s SER 13 N -3.33 6.11 0.19 2.83 1.04 -1.26 -5.00 113.70 114.28 2bko s SER 13 Ca 0.46 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.98 2bko s SER 13 Cb -0.10 -1.69 0.12 0.00 0.10 0.00 0.00 66.02 64.44 2bko s SER 13 CO 0.32 -0.39 1.80 0.58 0.98 0.00 0.00 173.24 176.53 2bko h VAL 14 N 0.77 1.22 -0.83 5.02 2.07 -1.97 -2.60 116.25 119.93 2bko h VAL 14 Ca -0.48 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2bko h VAL 14 Cb 1.24 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 2bko h VAL 14 CO 0.58 0.26 0.46 0.50 0.02 0.00 0.00 177.57 179.38 2bko h LYS 15 N 0.97 1.16 -0.59 1.57 3.64 -1.98 0.29 116.57 121.63 2bko h LYS 15 Ca 0.24 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2bko h LYS 15 Cb 0.08 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 2bko h LYS 15 CO -0.03 0.85 0.28 0.93 -2.27 0.00 0.00 179.45 179.21 2bko h GLU 16 N 1.16 0.85 -0.32 1.90 5.08 -1.88 0.96 114.58 122.33 2bko h GLU 16 Ca 0.29 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2bko h GLU 16 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2bko h GLU 16 CO -0.05 0.69 0.06 0.82 -1.00 0.00 0.00 179.01 179.53 2bko h ILE 17 N 0.80 1.23 -0.39 3.13 2.04 -1.15 -2.03 117.51 121.14 2bko h ILE 17 Ca 0.20 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2bko h ILE 17 Cb 0.12 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2bko h ILE 17 CO -0.02 0.26 0.19 0.15 0.00 0.00 0.00 178.15 178.72 2bko h PHE 18 N 0.36 0.57 -0.61 1.37 3.57 -0.66 -1.02 116.94 120.52 2bko h PHE 18 Ca 0.10 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2bko h PHE 18 Cb 0.33 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2bko h PHE 18 CO 0.02 0.48 0.33 0.82 -2.23 0.00 0.00 178.31 177.73 2bko h ILE 19 N 0.49 1.20 -0.73 1.41 2.04 -0.79 -1.20 117.51 119.94 2bko h ILE 19 Ca 0.13 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 2bko h ILE 19 Cb 0.13 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2bko h ILE 19 CO -0.02 0.22 0.30 -0.08 0.00 0.00 0.00 178.15 178.58 2bko h GLU 20 N 0.83 1.07 0.09 2.37 4.81 -1.07 0.30 114.58 122.98 2bko h GLU 20 Ca 0.21 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2bko h GLU 20 Cb 0.05 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2bko h GLU 20 CO -0.03 0.86 -0.04 0.52 -0.73 0.00 0.00 179.01 179.58 2bko h MET 21 N 1.05 -0.12 -0.23 1.92 2.86 -0.70 0.92 114.93 120.64 2bko h MET 21 Ca 0.25 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2bko h MET 21 Cb 0.18 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2bko h MET 21 CO -0.02 -0.00 0.14 -0.22 1.06 0.00 0.00 176.91 177.86 2bko h LYS 22 N -0.20 0.31 -0.54 1.72 3.64 -0.99 -1.16 116.57 119.35 2bko h LYS 22 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2bko h LYS 22 Cb 0.17 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2bko h LYS 22 CO 0.02 0.24 0.35 -0.44 -2.27 0.00 0.00 179.45 177.35 2bko h ASP 23 N 0.28 0.62 -0.55 4.20 3.32 -0.89 -2.64 116.42 120.76 2bko h ASP 23 Ca 0.08 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2bko h ASP 23 Cb 0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2bko h ASP 23 CO -0.02 0.45 0.10 0.74 -1.72 0.00 0.00 179.24 178.80 2bko h THR 24 N 0.73 1.25 -0.33 0.35 2.02 -0.53 -1.99 112.91 114.41 2bko h THR 24 Ca 0.20 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 2bko h THR 24 Cb -0.08 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2bko h THR 24 CO -0.04 0.34 -0.16 0.58 0.37 0.00 0.00 175.52 176.62 2bko h VAL 25 N 0.80 1.25 -0.39 3.16 2.07 -1.14 0.21 116.25 122.21 2bko h VAL 25 Ca 0.17 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 2bko h VAL 25 Cb 0.39 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2bko h VAL 25 CO 0.01 0.38 0.17 -0.33 0.02 0.00 0.00 177.57 177.81 2bko h GLU 26 N 0.53 0.58 -0.64 1.57 5.08 -1.27 -1.14 114.58 119.29 2bko h GLU 26 Ca 0.09 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2bko h GLU 26 Cb 0.58 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2bko h GLU 26 CO 0.04 0.54 0.22 1.25 -1.00 0.00 0.00 179.01 180.06 2bko h LEU 27 N 0.49 0.92 -0.51 1.33 5.85 -0.94 -2.43 115.31 120.03 2bko h LEU 27 Ca 0.13 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2bko h LEU 27 Cb 0.17 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2bko h LEU 27 CO -0.01 0.87 0.24 0.24 -0.34 0.00 0.00 178.44 179.43 2bko h MET 28 N 0.92 0.45 -0.52 1.25 2.86 -0.15 0.91 114.93 120.65 2bko h MET 28 Ca 0.21 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 2bko h MET 28 Cb 0.26 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2bko h MET 28 CO -0.01 0.30 0.08 0.28 1.06 0.00 0.00 176.91 178.62 2bko h VAL 29 N 0.47 1.25 -0.28 -2.22 2.07 -1.07 0.80 116.25 117.27 2bko h VAL 29 Ca 0.23 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2bko h VAL 29 Cb 0.16 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2bko h VAL 29 CO -0.18 0.34 0.16 0.44 0.02 0.00 0.00 177.57 178.35 2bko h ASP 30 N 0.75 0.35 -0.19 0.57 3.32 -1.00 -1.91 116.42 118.32 2bko h ASP 30 Ca 0.16 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2bko h ASP 30 Cb 0.41 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2bko h ASP 30 CO 0.01 0.34 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.70 2bko h LEU 31 N 0.34 0.53 -0.30 1.55 3.38 -0.67 -1.34 115.31 118.80 2bko h LEU 31 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2bko h LEU 31 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2bko h LEU 31 CO -0.02 0.67 0.17 0.00 0.09 0.00 0.00 178.44 179.36 2bko h ALA 32 N 1.38 0.39 -0.43 1.53 0.00 -0.48 0.13 119.26 121.78 2bko h ALA 32 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2bko h ALA 32 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2bko h ALA 32 CO 0.03 -0.10 -0.01 1.88 0.00 0.00 0.00 179.25 181.05 2bko h TYR 33 N 0.38 0.74 -0.61 0.00 0.05 -1.07 -2.47 116.97 113.98 2bko h TYR 33 Ca 0.11 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 2bko h TYR 33 Cb 0.04 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 2bko h TYR 33 CO -0.04 0.70 0.19 0.00 -1.05 0.00 0.00 178.16 177.97 2bko h ALA 34 N 1.34 0.80 -0.69 3.88 0.00 -0.62 -0.31 119.26 123.66 2bko h ALA 34 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2bko h ALA 34 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2bko h ALA 34 CO 0.02 0.48 0.40 0.66 0.00 0.00 0.00 179.25 180.81 2bko h SER 35 N 0.88 0.82 -0.15 0.00 4.64 -0.41 -0.67 113.55 118.66 2bko h SER 35 Ca 0.20 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.33 2bko h SER 35 Cb 0.29 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2bko h SER 35 CO -0.01 0.64 -0.45 -0.07 -0.87 0.00 0.00 176.83 176.07 2bko h LEU 36 N 0.94 0.66 -0.73 5.97 3.38 -1.05 0.20 115.31 124.68 2bko h LEU 36 Ca 0.25 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2bko h LEU 36 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2bko h LEU 36 CO -0.05 1.14 0.40 0.25 0.09 0.00 0.00 178.44 180.28 2bko h LEU 37 N 0.22 0.91 -1.96 1.67 5.85 -0.70 -3.02 115.31 118.28 2bko h LEU 37 Ca -0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2bko h LEU 37 Cb 1.07 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2bko h LEU 37 CO 0.10 0.75 0.00 0.49 -0.34 0.00 0.00 178.44 179.43 2bko n PHE 38 N -4.47 0.19 -3.91 1.25 3.72 -0.29 -4.94 117.46 109.00 2bko n PHE 38 Ca 0.06 -0.09 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 2bko n PHE 38 Cb 0.09 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 2bko n PHE 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bko n GLY 39 N 1.39 -0.48 3.45 1.37 0.00 0.56 -4.90 105.19 106.58 2bko n GLY 39 Ca 0.16 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 2bko n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bko s ASP 40 N -3.20 6.14 0.40 1.61 -1.08 -0.47 -4.96 116.67 115.11 2bko s ASP 40 Ca 0.65 -0.95 0.16 0.00 -0.52 0.00 0.00 52.55 51.89 2bko s ASP 40 Cb -0.34 -2.19 0.83 0.00 -1.46 0.00 0.00 42.92 39.77 2bko s ASP 40 CO 0.80 -0.54 1.85 0.11 0.52 0.00 0.00 175.17 177.91 2bko h LYS 41 N 8.70 0.00 -0.33 4.34 1.57 -1.87 -2.39 116.57 126.58 2bko h LYS 41 Ca -0.27 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.35 2bko h LYS 41 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 2bko h LYS 41 CO 0.79 0.33 -0.41 0.93 -0.57 0.00 0.00 179.45 180.52 2bko h GLU 42 N 0.00 0.82 -0.56 3.15 5.08 -1.99 0.63 114.58 121.71 2bko h GLU 42 Ca -0.00 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 2bko h GLU 42 Cb 0.64 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2bko h GLU 42 CO 0.04 1.07 0.15 0.82 -1.00 0.00 0.00 179.01 180.10 2bko h ILE 43 N 0.66 1.24 -1.01 3.13 2.04 -1.91 -1.71 117.51 119.96 2bko h ILE 43 Ca 0.05 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.08 2bko h ILE 43 Cb 0.98 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2bko h ILE 43 CO 0.09 0.31 0.67 0.00 0.00 0.00 0.00 178.15 179.22 2bko h ALA 44 N 1.03 1.30 -0.74 1.87 0.00 -1.14 -1.59 119.26 119.99 2bko h ALA 44 Ca 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2bko h ALA 44 Cb 0.32 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2bko h ALA 44 CO -0.00 0.64 0.35 1.49 0.00 0.00 0.00 179.25 181.73 2bko h GLU 45 N 1.34 1.07 -0.91 0.00 4.57 -0.39 -2.42 114.58 117.83 2bko h GLU 45 Ca 0.38 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2bko h GLU 45 Cb -0.12 -0.19 -0.05 0.00 -0.16 0.00 0.00 28.75 28.24 2bko h GLU 45 CO -0.09 0.84 0.60 1.49 -1.18 0.00 0.00 179.01 180.67 2bko h GLU 46 N 1.04 1.20 -0.63 1.92 4.57 -0.42 -1.32 114.58 120.93 2bko h GLU 46 Ca 0.25 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.40 2bko h GLU 46 Cb 0.13 -0.27 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 2bko h GLU 46 CO -0.03 0.79 0.37 0.28 -1.18 0.00 0.00 179.01 179.25 2bko h VAL 47 N 1.23 1.03 -0.34 0.32 2.07 -0.87 -0.41 116.25 119.28 2bko h VAL 47 Ca 0.34 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2bko h VAL 47 Cb -0.14 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2bko h VAL 47 CO -0.07 0.13 -0.12 -0.07 0.02 0.00 0.00 177.57 177.46 2bko h LEU 48 N 0.72 0.57 -0.73 2.57 3.38 -0.99 -0.82 115.31 120.02 2bko h LEU 48 Ca 0.27 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2bko h LEU 48 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2bko h LEU 48 CO -0.13 0.72 0.00 -0.33 0.09 0.00 0.00 178.44 178.79 2bko h GLU 49 N 0.54 0.97 0.00 1.13 5.08 -0.54 -2.48 114.58 119.28 2bko h GLU 49 Ca 0.10 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 2bko h GLU 49 Cb 0.52 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2bko h GLU 49 CO 0.03 0.96 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.50 2bko h LEU 50 N 0.89 0.00 -0.98 1.33 3.38 -0.52 -1.99 115.31 117.42 2bko h LEU 50 Ca 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2bko h LEU 50 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2bko h LEU 50 CO 0.03 0.43 0.02 -0.08 0.09 0.00 0.00 178.44 178.92 2bko h GLU 51 N 0.00 0.76 -0.43 1.13 4.81 -0.72 -0.22 114.58 119.91 2bko h GLU 51 Ca -0.00 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 58.92 2bko h GLU 51 Cb 0.78 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2bko h GLU 51 CO 0.06 0.75 -0.17 0.93 -0.73 0.00 0.00 179.01 179.85 2bko h GLU 52 N 0.71 0.87 -0.89 1.92 5.08 -1.13 -1.78 114.58 119.36 2bko h GLU 52 Ca 0.14 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2bko h GLU 52 Cb 0.41 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2bko h GLU 52 CO 0.01 1.01 0.56 -0.09 -1.00 0.00 0.00 179.01 179.50 2bko h ARG 53 N 0.69 1.20 -0.66 2.33 9.65 -0.88 -0.72 114.38 125.99 2bko h ARG 53 Ca 0.10 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2bko h ARG 53 Cb 0.73 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.02 2bko h ARG 53 CO 0.06 0.82 0.23 0.82 2.80 0.00 0.00 179.97 184.70 2bko h ILE 54 N 1.22 1.24 -0.60 1.20 1.08 -0.74 0.12 117.51 121.03 2bko h ILE 54 Ca 0.32 -0.78 -0.08 0.00 -0.39 0.00 0.00 64.86 63.93 2bko h ILE 54 Cb -0.09 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 2bko h ILE 54 CO -0.06 0.31 0.07 0.44 -0.69 0.00 0.00 178.15 178.22 2bko h ASP 55 N 0.96 0.98 -0.24 1.72 3.32 -0.40 -0.09 116.42 122.67 2bko h ASP 55 Ca 0.22 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2bko h ASP 55 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2bko h ASP 55 CO -0.01 1.00 0.07 0.25 -1.72 0.00 0.00 179.24 178.83 2bko h LEU 56 N 0.92 0.35 -0.85 1.55 5.85 -0.54 -1.42 115.31 121.16 2bko h LEU 56 Ca 0.18 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2bko h LEU 56 Cb 0.46 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2bko h LEU 56 CO 0.02 0.46 0.42 -0.07 -0.34 0.00 0.00 178.44 178.93 2bko h LEU 57 N 0.22 1.10 -0.78 2.25 3.38 -0.62 -1.46 115.31 119.39 2bko h LEU 57 Ca 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2bko h LEU 57 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2bko h LEU 57 CO -0.00 0.92 0.46 -1.13 0.09 0.00 0.00 178.44 178.77 2bko h ASN 58 N 1.20 0.95 -0.37 -0.43 -1.24 -0.86 0.62 115.58 115.44 2bko h ASN 58 Ca 0.29 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.23 2bko h ASN 58 Cb 0.10 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 2bko h ASN 58 CO -0.04 0.74 0.23 0.22 -1.29 0.00 0.00 177.43 177.30 2bko h TYR 59 N 1.07 0.48 -0.43 0.67 3.20 -0.68 -1.39 116.97 119.90 2bko h TYR 59 Ca 0.28 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2bko h TYR 59 Cb -0.02 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2bko h TYR 59 CO -0.00 0.33 -0.02 1.96 -1.64 0.00 0.00 178.16 178.78 2bko h GLN 60 N 0.50 0.71 -0.73 1.82 4.20 -0.79 -0.90 115.11 119.91 2bko h GLN 60 Ca 0.14 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2bko h GLN 60 Cb -0.02 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2bko h GLN 60 CO -0.03 0.74 0.21 1.25 -0.67 0.00 0.00 178.83 180.34 2bko h LEU 61 N 0.67 1.08 -0.30 1.46 5.85 -0.51 0.01 115.31 123.55 2bko h LEU 61 Ca 0.13 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.55 2bko h LEU 61 Cb 0.44 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2bko h LEU 61 CO 0.02 1.01 -0.13 0.24 -0.34 0.00 0.00 178.44 179.24 2bko h MET 62 N 1.09 0.62 -0.04 1.25 2.86 -0.92 -0.85 114.93 118.94 2bko h MET 62 Ca 0.23 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2bko h MET 62 Cb 0.33 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2bko h MET 62 CO -0.00 0.84 -0.07 0.52 1.06 0.00 0.00 176.91 179.25 2bko h MET 63 N 0.38 -0.10 -0.73 1.72 2.86 -0.94 0.45 114.93 118.57 2bko h MET 63 Ca 0.07 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2bko h MET 63 Cb 0.64 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 2bko h MET 63 CO 0.04 -0.07 0.44 0.45 1.06 0.00 0.00 176.91 178.83 2bko h HIS 64 N -0.11 0.96 -0.59 -0.22 -0.00 -0.95 -1.45 115.15 112.78 2bko h HIS 64 Ca 0.04 -0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.31 2bko h HIS 64 Cb 0.17 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 2bko h HIS 64 CO -0.16 0.65 -0.01 0.77 -0.00 0.00 0.00 177.93 179.17 2bko h SER 65 N 0.99 1.04 -0.36 2.45 0.02 -0.85 -0.01 113.55 116.84 2bko h SER 65 Ca 0.26 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.81 2bko h SER 65 Cb -0.03 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 2bko h SER 65 CO -0.05 1.10 -0.11 0.58 -1.14 0.00 0.00 176.83 177.21 2bko h VAL 66 N 0.96 1.28 -0.26 2.27 2.07 -0.71 -2.83 116.25 119.03 2bko h VAL 66 Ca 0.17 -1.20 -0.19 0.00 0.82 0.00 0.00 66.70 66.29 2bko h VAL 66 Cb 0.58 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2bko h VAL 66 CO 0.03 0.39 -0.60 -0.07 0.02 0.00 0.00 177.57 177.35 2bko h LEU 67 N 0.50 0.97 -0.67 2.57 3.38 -1.21 -3.31 115.31 117.54 2bko h LEU 67 Ca 0.09 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 2bko h LEU 67 Cb 0.63 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2bko h LEU 67 CO 0.04 1.35 0.15 0.00 0.09 0.00 0.00 178.44 180.07 2bko h ALA 68 N 0.65 0.88 -2.77 1.53 0.00 -1.01 -3.43 119.26 115.11 2bko h ALA 68 Ca -0.00 -0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.10 2bko h ALA 68 Cb 1.21 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 2bko h ALA 68 CO 0.13 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.98 2bko s ALA 69 N -5.29 3.43 0.00 0.00 0.00 -1.07 -4.93 121.76 113.90 2bko s ALA 69 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2bko s ALA 69 Cb 0.14 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2bko s ALA 69 CO 0.84 0.03 0.00 0.54 0.00 0.00 0.00 175.76 177.17 2bko n ARG 70 N 3.33 3.15 -4.37 0.00 1.74 -1.26 -4.90 116.66 114.34 2bko n ARG 70 Ca -0.05 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.84 2bko n ARG 70 Cb 0.51 -0.58 -0.10 0.00 -1.02 0.00 0.00 32.46 31.27 2bko n ARG 70 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bko s ASN 71 N -0.87 2.37 0.24 0.55 2.20 -1.26 -5.03 114.94 113.13 2bko s ASN 71 Ca 0.00 -1.16 -0.06 0.00 -0.94 0.00 0.00 52.86 50.71 2bko s ASN 71 Cb 0.00 -0.10 0.41 0.00 -2.00 0.00 0.00 41.25 39.57 2bko s ASN 71 CO 0.00 -0.37 1.72 0.58 -2.94 0.00 0.00 177.10 176.10 2bko h VAL 72 N 2.42 0.65 0.34 3.54 2.07 -1.98 -0.33 116.25 122.96 2bko h VAL 72 Ca -0.39 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2bko h VAL 72 Cb 1.22 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2bko h VAL 72 CO 0.65 0.07 -0.18 0.11 0.02 0.00 0.00 177.57 178.25 2bko h LYS 73 N 0.39 -0.46 -0.93 1.57 6.56 -2.00 -0.58 116.57 121.13 2bko h LYS 73 Ca 0.39 0.03 0.02 0.00 -1.06 0.00 0.00 60.65 60.03 2bko h LYS 73 Cb 0.58 0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 32.30 2bko h LYS 73 CO -0.41 -0.31 0.61 0.93 -2.06 0.00 0.00 179.45 178.22 2bko h GLU 74 N -0.48 1.18 -0.19 3.15 5.08 -1.90 -2.51 114.58 118.90 2bko h GLU 74 Ca -0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2bko h GLU 74 Cb 0.38 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2bko h GLU 74 CO 0.07 0.78 0.11 0.00 -1.00 0.00 0.00 179.01 178.97 2bko h ALA 75 N 1.44 0.25 -0.78 3.43 0.00 -0.70 -1.78 119.26 121.11 2bko h ALA 75 Ca 0.35 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.32 2bko h ALA 75 Cb -0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2bko h ALA 75 CO -0.09 -0.24 0.51 0.93 0.00 0.00 0.00 179.25 180.36 2bko h GLU 76 N 0.23 0.66 -0.02 0.00 5.08 -0.68 -1.30 114.58 118.54 2bko h GLU 76 Ca 0.07 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2bko h GLU 76 Cb 0.03 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.15 2bko h GLU 76 CO -0.01 0.44 -0.54 1.96 -1.00 0.00 0.00 179.01 179.85 2bko h GLN 77 N 0.68 0.40 0.00 2.33 4.20 -1.20 -3.15 115.11 118.37 2bko h GLN 77 Ca 0.36 -0.41 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2bko h GLN 77 Cb 0.50 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2bko h GLN 77 CO -0.14 1.07 -0.21 -0.39 -0.67 0.00 0.00 178.83 178.49 2bko h VAL 78 N -0.10 0.85 -0.35 -0.54 -1.51 -1.00 -2.16 116.25 111.44 2bko h VAL 78 Ca -0.06 -0.80 -0.07 0.00 -1.23 0.00 0.00 66.70 64.54 2bko h VAL 78 Cb 1.25 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 31.86 2bko h VAL 78 CO 0.11 0.20 -0.08 0.40 -1.23 0.00 0.00 177.57 176.97 2bko h ILE 79 N 0.00 1.23 -0.63 7.19 2.04 -1.25 -1.88 117.51 124.22 2bko h ILE 79 Ca -0.00 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 2bko h ILE 79 Cb 0.45 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2bko h ILE 79 CO 0.03 0.33 0.32 0.71 0.00 0.00 0.00 178.15 179.54 2bko h THR 80 N 0.54 1.20 -0.32 -0.27 1.35 -1.35 0.02 112.91 114.08 2bko h THR 80 Ca 0.10 -0.52 -0.09 0.00 -0.55 0.00 0.00 66.41 65.35 2bko h THR 80 Cb 0.47 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2bko h THR 80 CO 0.03 0.22 -0.15 0.40 -0.25 0.00 0.00 175.52 175.77 2bko h ILE 81 N 0.87 1.29 -0.50 6.82 2.04 -1.39 -2.36 117.51 124.28 2bko h ILE 81 Ca 0.22 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 2bko h ILE 81 Cb 0.06 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2bko h ILE 81 CO -0.03 0.40 0.12 -0.07 0.00 0.00 0.00 178.15 178.57 2bko h LEU 82 N 0.42 0.71 -0.73 1.44 3.38 -0.81 -0.71 115.31 119.01 2bko h LEU 82 Ca 0.07 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2bko h LEU 82 Cb 0.68 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2bko h LEU 82 CO 0.05 0.71 0.20 1.56 0.09 0.00 0.00 178.44 181.04 2bko h GLN 83 N 0.74 1.15 -0.27 1.13 4.20 -0.88 -0.77 115.11 120.41 2bko h GLN 83 Ca 0.16 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 2bko h GLN 83 Cb 0.28 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2bko h GLN 83 CO -0.00 1.00 -0.30 0.82 -0.67 0.00 0.00 178.83 179.67 2bko h ILE 84 N 1.10 1.31 -0.26 2.54 2.04 -1.01 -2.87 117.51 120.35 2bko h ILE 84 Ca 0.23 -1.48 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 2bko h ILE 84 Cb 0.35 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2bko h ILE 84 CO -0.00 0.47 0.15 0.00 0.00 0.00 0.00 178.15 178.76 2bko h ALA 85 N 0.69 1.76 -0.60 1.87 0.00 -0.94 -0.86 119.26 121.18 2bko h ALA 85 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2bko h ALA 85 Cb 0.88 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2bko h ALA 85 CO 0.07 0.20 0.33 -0.97 0.00 0.00 0.00 179.25 178.88 2bko h ASN 86 N 0.36 0.76 -0.07 0.00 -1.24 -0.95 0.19 115.58 114.63 2bko h ASN 86 Ca 0.09 -0.10 -0.15 0.00 0.71 0.00 0.00 56.30 56.85 2bko h ASN 86 Cb 0.01 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 2bko h ASN 86 CO -0.02 0.64 -0.48 0.00 -1.29 0.00 0.00 177.43 176.28 2bko h ALA 87 N 1.15 0.71 -0.66 1.57 0.00 -1.12 -2.45 119.26 118.47 2bko h ALA 87 Ca 0.21 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2bko h ALA 87 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2bko h ALA 87 CO -0.03 0.67 0.17 0.82 0.00 0.00 0.00 179.25 180.88 2bko h ILE 88 N 0.50 1.26 -0.18 0.00 2.04 -0.69 -1.99 117.51 118.44 2bko h ILE 88 Ca 0.02 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 2bko h ILE 88 Cb 1.03 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2bko h ILE 88 CO 0.10 0.35 -0.09 -0.08 0.00 0.00 0.00 178.15 178.43 2bko h GLU 89 N 0.97 0.29 -0.35 2.37 4.22 -0.50 -1.21 114.58 120.37 2bko h GLU 89 Ca 0.21 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.49 2bko h GLU 89 Cb 0.35 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2bko h GLU 89 CO -0.00 0.39 -0.19 -0.44 -2.18 0.00 0.00 179.01 176.59 2bko h ASP 90 N 0.27 0.65 -0.30 1.04 3.32 -0.89 -1.79 116.42 118.73 2bko h ASP 90 Ca 0.06 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 2bko h ASP 90 Cb 0.34 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2bko h ASP 90 CO 0.02 0.85 -0.26 0.40 -1.72 0.00 0.00 179.24 178.53 2bko h ILE 91 N 0.58 1.27 -0.42 0.35 2.04 -0.77 -2.19 117.51 118.37 2bko h ILE 91 Ca 0.09 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.50 2bko h ILE 91 Cb 0.65 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2bko h ILE 91 CO 0.05 0.46 -0.00 0.77 0.00 0.00 0.00 178.15 179.43 2bko h SER 92 N 0.68 0.64 0.06 1.72 4.64 -0.89 -1.63 113.55 118.77 2bko h SER 92 Ca 0.09 -0.14 -0.11 0.00 -0.47 0.00 0.00 61.79 61.16 2bko h SER 92 Cb 0.78 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2bko h SER 92 CO 0.06 0.71 -0.34 0.78 -0.87 0.00 0.00 176.83 177.18 2bko h ASN 93 N 0.64 0.41 -0.51 4.97 2.35 -1.05 -1.62 115.58 120.76 2bko h ASN 93 Ca 0.13 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2bko h ASN 93 Cb 0.40 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2bko h ASN 93 CO 0.02 0.73 -0.17 0.00 -1.65 0.00 0.00 177.43 176.35 2bko h ALA 94 N 1.30 0.72 -0.75 -0.83 0.00 -0.77 -0.98 119.26 117.95 2bko h ALA 94 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2bko h ALA 94 Cb 0.76 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2bko h ALA 94 CO 0.06 0.68 0.25 0.00 0.00 0.00 0.00 179.25 180.23 2bko h ALA 95 N 0.90 1.01 -0.28 0.00 0.00 -1.06 -2.12 119.26 117.72 2bko h ALA 95 Ca 0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2bko h ALA 95 Cb 0.75 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2bko h ALA 95 CO 0.06 0.67 -0.07 0.78 0.00 0.00 0.00 179.25 180.69 2bko h GLY 96 N 1.13 0.47 1.05 0.00 0.00 -1.03 -1.55 103.07 103.14 2bko h GLY 96 Ca 0.25 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 2bko h GLY 96 CO -0.01 0.27 0.16 -0.55 0.00 0.00 0.00 176.54 176.42 2bko h ASP 97 N 0.42 1.01 -0.40 0.19 3.32 -0.55 -1.06 116.42 119.35 2bko h ASP 97 Ca 0.09 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2bko h ASP 97 Cb 0.38 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2bko h ASP 97 CO 0.02 0.98 0.07 -0.07 -1.72 0.00 0.00 179.24 178.52 2bko h LEU 98 N 1.00 0.64 -0.51 1.55 3.38 -1.00 -3.06 115.31 117.30 2bko h LEU 98 Ca 0.21 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2bko h LEU 98 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2bko h LEU 98 CO 0.00 0.73 0.33 0.00 0.09 0.00 0.00 178.44 179.59 2bko h ALA 99 N 0.93 0.65 -0.78 1.53 0.00 -1.04 -2.52 119.26 118.03 2bko h ALA 99 Ca 0.12 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2bko h ALA 99 Cb 0.37 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2bko h ALA 99 CO 0.01 0.06 0.51 0.87 0.00 0.00 0.00 179.25 180.71 2bko h LYS 100 N 0.67 0.49 -0.59 0.00 1.57 -1.10 0.01 116.57 117.60 2bko h LYS 100 Ca 0.19 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2bko h LYS 100 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 2bko h LYS 100 CO -0.06 0.32 0.24 0.52 -0.57 0.00 0.00 179.45 179.90 2bko h MET 101 N 0.50 0.86 -0.23 3.15 2.86 -1.36 0.37 114.93 121.07 2bko h MET 101 Ca 0.38 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.72 2bko h MET 101 Cb 0.77 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2bko h MET 101 CO -0.14 0.70 -0.51 0.28 1.06 0.00 0.00 176.91 178.30 2bko h VAL 102 N 0.85 1.30 -0.12 -2.22 2.07 -1.02 -2.64 116.25 114.46 2bko h VAL 102 Ca 0.20 -1.72 -0.08 0.00 0.82 0.00 0.00 66.70 65.93 2bko h VAL 102 Cb 0.16 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2bko h VAL 102 CO -0.02 0.55 -0.27 -0.07 0.02 0.00 0.00 177.57 177.78 2bko h LEU 103 N 0.48 0.21 -1.08 2.57 3.38 -0.94 -0.34 115.31 119.58 2bko h LEU 103 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2bko h LEU 103 Cb 1.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2bko h LEU 103 CO 0.11 0.49 0.00 -0.33 0.09 0.00 0.00 178.44 178.80 2bko h GLU 104 N 0.19 0.00 -1.40 1.13 5.08 -0.84 -3.47 114.58 115.28 2bko h GLU 104 Ca 0.03 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 2bko h GLU 104 Cb 0.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2bko h GLU 104 CO 0.04 0.00 -0.27 0.41 -1.00 0.00 0.00 179.01 178.19 2bko n GLY 105 N 0.12 0.16 3.76 -3.84 0.00 -0.14 -5.00 105.19 100.25 2bko n GLY 105 Ca 0.01 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2bko n GLY 105 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bko s VAL 106 N -2.53 2.88 -0.31 1.61 -7.23 -1.19 -4.95 120.40 108.69 2bko s VAL 106 Ca 0.00 0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 60.45 2bko s VAL 106 Cb 0.00 -3.24 0.01 0.00 0.56 0.00 0.00 36.38 33.71 2bko s VAL 106 CO 0.00 -0.10 1.16 -0.70 -0.31 0.00 0.00 175.10 175.16 2bko s GLU 107 N -3.20 4.02 0.34 4.82 2.12 -1.26 -4.96 118.70 120.58 2bko s GLU 107 Ca 0.73 1.15 -0.25 0.00 0.36 0.00 0.00 54.97 56.97 2bko s GLU 107 Cb -0.28 -3.79 -0.10 0.00 0.26 0.00 0.00 34.13 30.22 2bko s GLU 107 CO 0.31 -0.98 0.94 -0.51 -0.54 0.00 0.00 175.26 174.49 2bko s LEU 108 N 3.91 4.25 0.27 2.70 1.43 -1.26 -5.02 118.68 124.95 2bko s LEU 108 Ca 0.50 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 55.08 2bko s LEU 108 Cb -0.14 -4.12 -0.10 0.00 0.03 0.00 0.00 46.19 41.86 2bko s LEU 108 CO 0.18 -0.13 1.41 -2.28 0.23 0.00 0.00 176.35 175.76 2bko s HIS 109 N -1.75 3.02 0.57 0.29 5.65 -1.26 -4.87 115.29 116.95 2bko s HIS 109 Ca 0.53 1.13 0.29 0.00 0.25 0.00 0.00 55.06 57.25 2bko s HIS 109 Cb -0.16 -3.79 1.47 0.00 -1.18 0.00 0.00 32.58 28.92 2bko s HIS 109 CO 0.21 -2.47 1.90 -1.35 -0.65 0.00 0.00 174.74 172.39 2bko h PRO 110 N 4.61 0.00 0.00 2.88 0.11 -2.03 -1.20 132.00 136.37 2bko h PRO 110 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2bko h PRO 110 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2bko h PRO 110 CO 0.74 0.00 -0.12 0.28 -0.21 0.00 0.00 178.00 178.69 2bko h VAL 111 N 0.00 1.08 0.24 3.15 2.07 -2.00 -3.07 116.25 117.74 2bko h VAL 111 Ca 0.27 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2bko h VAL 111 Cb 1.29 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2bko h VAL 111 CO -0.00 0.12 -0.15 0.40 0.02 0.00 0.00 177.57 177.96 2bko h ILE 112 N 0.00 0.69 -0.71 4.57 2.04 -1.58 0.22 117.51 122.74 2bko h ILE 112 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 2bko h ILE 112 Cb 0.22 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2bko h ILE 112 CO 0.02 0.00 0.26 0.11 0.00 0.00 0.00 178.15 178.53 2bko h LYS 113 N -0.37 1.07 -0.41 2.37 1.57 -1.72 -2.13 116.57 116.95 2bko h LYS 113 Ca -0.03 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2bko h LYS 113 Cb 0.31 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2bko h LYS 113 CO 0.03 0.89 0.24 0.93 -0.57 0.00 0.00 179.45 180.97 2bko h GLU 114 N 1.04 0.56 -0.74 3.15 5.08 -1.40 -1.88 114.58 120.38 2bko h GLU 114 Ca 0.24 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 2bko h GLU 114 Cb 0.24 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2bko h GLU 114 CO -0.02 0.42 0.44 1.15 -1.00 0.00 0.00 179.01 180.01 2bko h THR 115 N 0.54 1.02 0.00 1.13 2.02 -0.15 0.19 112.91 117.66 2bko h THR 115 Ca 0.15 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 2bko h THR 115 Cb 0.01 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2bko h THR 115 CO -0.03 0.15 -0.37 0.40 0.37 0.00 0.00 175.52 176.04 2bko h ILE 116 N 0.83 1.13 0.00 3.11 2.04 -1.10 -2.73 117.51 120.79 2bko h ILE 116 Ca 0.32 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2bko h ILE 116 Cb 0.14 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2bko h ILE 116 CO -0.16 0.36 -0.63 0.18 0.00 0.00 0.00 178.15 177.90 2bko n LEU 117 N -3.90 0.62 -0.00 1.44 4.77 -0.56 -3.34 117.00 116.03 2bko n LEU 117 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2bko n LEU 117 Cb 0.43 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2bko n LEU 117 CO 0.38 0.00 0.49 -0.62 -1.33 0.00 0.00 177.39 176.31 2bko n GLU 118 N -1.92 2.81 -0.48 3.23 1.02 0.54 -4.88 120.64 120.96 2bko n GLU 118 Ca 0.04 -1.48 -0.04 0.00 -0.02 0.00 0.00 57.16 55.65 2bko n GLU 118 Cb 0.41 -0.99 0.03 0.00 -0.02 0.00 0.00 31.44 30.87 2bko n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bko n GLY 119 N -0.50 -0.64 0.31 0.62 0.00 -1.05 -4.98 105.19 98.96 2bko n GLY 119 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 2bko n GLY 119 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bko h GLU 120 N 0.00 -0.56 -5.37 1.61 4.39 -1.96 -3.40 114.58 109.29 2bko h GLU 120 Ca -0.06 0.04 -0.64 0.00 0.34 0.00 0.00 59.36 59.03 2bko h GLU 120 Cb 0.19 0.13 -0.23 0.00 -0.10 0.00 0.00 28.75 28.74 2bko h GLU 120 CO 0.05 -0.38 -0.69 -1.21 -1.16 0.00 0.00 179.01 175.62 2bko s GLU 121 N -6.05 3.53 0.47 2.33 2.02 -1.26 -4.39 118.70 115.36 2bko s GLU 121 Ca -0.16 -0.56 0.04 0.00 0.02 0.00 0.00 54.97 54.31 2bko s GLU 121 Cb 0.06 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 2bko s GLU 121 CO 0.64 0.27 0.09 0.96 0.02 0.00 0.00 175.26 177.24 2bko s ILE 122 N 0.26 1.64 -0.15 -1.63 -4.36 0.20 -4.88 121.20 112.28 2bko s ILE 122 Ca -0.05 -1.88 -0.02 0.00 -0.26 0.00 0.00 60.65 58.44 2bko s ILE 122 Cb -0.14 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 2bko s ILE 122 CO 0.04 0.00 -0.07 -0.63 0.24 0.00 0.00 174.94 174.52 2bko s ILE 123 N -2.77 3.57 0.18 8.37 -1.09 -1.21 -1.56 121.20 126.69 2bko s ILE 123 Ca 0.23 -0.47 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 2bko s ILE 123 Cb 0.04 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 2bko s ILE 123 CO 0.13 0.50 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.36 2bko s GLY 124 N 0.42 1.36 -0.19 6.18 0.00 0.99 -4.81 107.32 111.27 2bko s GLY 124 Ca -0.06 -1.58 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 2bko s GLY 124 CO 0.04 -1.66 -0.09 1.25 0.00 0.00 0.00 173.10 172.63 2bko s LYS 125 N -3.38 3.29 -0.19 2.90 2.20 -1.26 -0.91 119.74 122.39 2bko s LYS 125 Ca 0.19 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2bko s LYS 125 Cb -0.02 -2.84 0.03 0.00 -1.51 0.00 0.00 37.83 33.49 2bko s LYS 125 CO 0.06 -0.12 -0.17 0.42 -0.36 0.00 0.00 175.35 175.18 2bko s ILE 126 N 1.22 2.03 -0.04 5.43 1.09 0.15 -4.94 121.20 126.15 2bko s ILE 126 Ca 0.02 -1.06 -0.27 0.00 -1.10 0.00 0.00 60.65 58.24 2bko s ILE 126 Cb -0.14 -1.91 -0.03 0.00 -1.06 0.00 0.00 42.46 39.32 2bko s ILE 126 CO -0.04 0.41 0.88 -1.10 -0.10 0.00 0.00 174.94 174.99 2bko s GLN 127 N 1.27 4.50 -0.26 2.79 -1.52 -1.26 -0.31 119.66 124.87 2bko s GLN 127 Ca 0.02 1.21 -0.10 0.00 -1.95 0.00 0.00 55.36 54.55 2bko s GLN 127 Cb -0.14 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.14 2bko s GLN 127 CO -0.11 -0.04 0.15 0.08 -0.25 0.00 0.00 175.29 175.12 2bko s VAL 128 N 1.04 5.05 0.25 1.09 1.01 -0.79 -4.47 120.40 123.58 2bko s VAL 128 Ca 0.46 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 2bko s VAL 128 Cb -0.20 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2bko s VAL 128 CO 0.23 0.30 0.48 -0.31 0.00 0.00 0.00 175.10 175.81 2bko s TYR 129 N 1.52 3.48 0.35 5.22 1.51 -0.46 -0.33 117.35 128.65 2bko s TYR 129 Ca 0.07 0.52 0.10 0.00 -1.01 0.00 0.00 57.07 56.75 2bko s TYR 129 Cb -0.15 -2.00 0.84 0.00 -0.11 0.00 0.00 41.96 40.54 2bko s TYR 129 CO 0.08 0.26 1.83 -1.35 -1.11 0.00 0.00 175.55 175.26 2bko h PRO 130 N 1.86 0.64 0.00 -1.71 0.11 -1.93 -1.72 132.00 129.25 2bko h PRO 130 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2bko h PRO 130 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2bko h PRO 130 CO 0.67 0.43 0.00 -0.85 -0.21 0.00 0.00 178.00 178.04 2bko n GLU 131 N -4.62 0.23 -2.21 1.05 0.00 -1.26 -4.86 120.64 108.97 2bko n GLU 131 Ca 0.20 0.08 -0.39 0.00 0.00 0.00 0.00 57.16 57.05 2bko n GLU 131 Cb 0.56 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.49 2bko n GLU 131 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2bko s SER 132 N -2.70 6.52 0.02 -1.84 0.15 -0.65 -4.67 113.70 110.54 2bko s SER 132 Ca 0.19 2.47 0.18 0.00 0.70 0.00 0.00 55.95 59.49 2bko s SER 132 Cb 0.15 -2.63 0.78 0.00 -1.71 0.00 0.00 66.02 62.61 2bko s SER 132 CO 0.37 -0.69 1.58 1.33 1.20 0.00 0.00 173.24 177.04 2bko n VAL 133 N 0.23 0.78 0.97 4.45 0.24 -1.26 -2.59 118.33 121.14 2bko n VAL 133 Ca 0.03 0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.65 2bko n VAL 133 Cb 0.45 -0.90 0.38 0.00 -1.47 0.00 0.00 33.84 32.30 2bko n VAL 133 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2bko n ILE 134 N -1.57 0.03 -2.00 1.34 -5.35 -1.26 -4.79 119.36 105.76 2bko n ILE 134 Ca 0.04 -0.02 -0.42 0.00 -0.27 0.00 0.00 62.75 62.08 2bko n ILE 134 Cb 0.21 -0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.03 2bko n ILE 134 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2bko s VAL 135 N -3.01 2.82 0.00 7.28 1.01 -1.07 -2.10 120.40 125.32 2bko s VAL 135 Ca 0.12 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2bko s VAL 135 Cb 0.18 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2bko s VAL 135 CO 0.64 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.39 2bko n GLY 136 N 3.69 1.04 3.84 4.51 0.00 0.11 -5.01 105.19 113.37 2bko n GLY 136 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2bko n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bko s LYS 137 N -0.49 3.08 0.39 1.61 1.02 -0.89 -4.82 119.74 119.64 2bko s LYS 137 Ca 0.00 -0.68 -0.03 0.00 0.02 0.00 0.00 55.97 55.27 2bko s LYS 137 Cb 0.00 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2bko s LYS 137 CO 0.00 0.54 0.65 0.95 -0.92 0.00 0.00 175.35 176.57 2bko s THR 138 N -1.58 5.00 0.53 2.17 -4.23 -1.26 -0.89 115.64 115.39 2bko s THR 138 Ca 0.32 -0.07 0.28 0.00 -1.18 0.00 0.00 61.69 61.04 2bko s THR 138 Cb -0.11 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 70.22 2bko s THR 138 CO 0.25 -0.63 2.19 -0.07 -0.54 0.00 0.00 174.62 175.81 2bko h LEU 139 N 0.72 0.00 -0.74 4.79 3.38 -0.97 -2.84 115.31 119.65 2bko h LEU 139 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2bko h LEU 139 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2bko h LEU 139 CO 0.62 0.04 0.45 1.23 0.09 0.00 0.00 178.44 180.87 2bko h GLY 140 N 0.26 1.07 1.74 0.83 0.00 -1.54 -3.24 103.07 102.20 2bko h GLY 140 Ca -0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.66 2bko h GLY 140 CO 0.01 0.43 -1.17 0.83 0.00 0.00 0.00 176.54 176.63 2bko h GLU 141 N 1.01 0.00 -0.31 4.80 5.08 -1.79 -3.36 114.58 120.01 2bko h GLU 141 Ca 0.27 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2bko h GLU 141 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2bko h GLU 141 CO -0.05 0.87 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.66 2bko h LEU 142 N 0.00 0.50 -1.69 1.33 3.38 -1.57 -3.47 115.31 113.79 2bko h LEU 142 Ca -0.08 -0.12 -0.53 0.00 0.09 0.00 0.00 57.88 57.24 2bko h LEU 142 Cb 1.83 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 42.33 2bko h LEU 142 CO 0.12 0.64 -0.88 0.47 0.09 0.00 0.00 178.44 178.88 2bko n ASP 143 N -4.21 -1.04 -0.03 -0.43 10.43 -1.24 -4.68 116.55 115.34 2bko n ASP 143 Ca 0.01 -1.04 0.12 0.00 2.57 0.00 0.00 54.79 56.45 2bko n ASP 143 Cb 0.31 -2.81 0.54 0.00 1.84 0.00 0.00 41.12 41.00 2bko n ASP 143 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2bko h LEU 144 N -1.74 0.28 -0.40 0.64 3.38 -1.86 0.16 115.31 115.77 2bko h LEU 144 Ca -0.62 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 2bko h LEU 144 Cb 1.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 2bko h LEU 144 CO 0.68 0.17 0.25 0.00 0.09 0.00 0.00 178.44 179.63 2bko h ALA 145 N 1.74 0.51 0.20 1.53 0.00 -1.73 0.43 119.26 121.93 2bko h ALA 145 Ca 0.23 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.79 2bko h ALA 145 Cb 0.51 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.17 2bko h ALA 145 CO -0.05 -0.01 -1.37 1.15 0.00 0.00 0.00 179.25 178.97 2bko h THR 146 N 0.53 1.37 0.00 0.00 2.02 -1.60 -1.62 112.91 113.61 2bko h THR 146 Ca 0.14 -2.83 -0.18 0.00 0.77 0.00 0.00 66.41 64.31 2bko h THR 146 Cb -0.02 2.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 2bko h THR 146 CO -0.03 0.84 -1.20 0.78 0.37 0.00 0.00 175.52 176.28 2bko h ASN 147 N 0.13 0.00 0.00 4.18 2.35 -0.71 -3.41 115.58 118.12 2bko h ASN 147 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2bko h ASN 147 Cb 2.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.44 2bko h ASN 147 CO 0.25 0.70 -0.78 0.35 -1.65 0.00 0.00 177.43 176.29 2bko n THR 148 N -3.06 0.00 -0.41 2.81 -2.24 0.55 -5.04 114.28 106.89 2bko n THR 148 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2bko n THR 148 Cb 0.87 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 2bko n THR 148 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bko n GLY 149 N 2.16 1.28 3.10 3.38 0.00 0.12 -4.61 105.19 110.63 2bko n GLY 149 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2bko n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bko s VAL 150 N -2.00 1.36 -0.25 1.61 1.01 -0.93 -4.13 120.40 117.07 2bko s VAL 150 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2bko s VAL 150 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2bko s VAL 150 CO 0.00 0.40 0.14 0.86 0.00 0.00 0.00 175.10 176.50 2bko s TRP 151 N 0.21 3.21 -0.43 5.22 -0.00 -0.17 -2.05 118.94 124.92 2bko s TRP 151 Ca -0.07 0.01 -0.25 0.00 -0.00 0.00 0.00 56.10 55.79 2bko s TRP 151 Cb -0.13 -2.29 0.02 0.00 -0.00 0.00 0.00 33.47 31.08 2bko s TRP 151 CO 0.03 -0.13 0.89 0.42 -0.00 0.00 0.00 176.95 178.16 2bko s ILE 152 N 1.42 4.55 -0.15 5.86 -1.09 -1.26 -0.72 121.20 129.81 2bko s ILE 152 Ca 0.07 0.80 0.22 0.00 -2.23 0.00 0.00 60.65 59.50 2bko s ILE 152 Cb -0.15 -4.37 -0.14 0.00 -1.58 0.00 0.00 42.46 36.22 2bko s ILE 152 CO 0.07 -0.72 0.81 2.30 -1.23 0.00 0.00 174.94 176.17 2bko n ILE 153 N 6.23 0.44 -3.65 2.92 -5.35 -0.45 -4.58 119.36 114.92 2bko n ILE 153 Ca 0.05 -0.54 -0.06 0.00 -0.27 0.00 0.00 62.75 61.93 2bko n ILE 153 Cb 0.48 -0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 38.13 2bko n ILE 153 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bko s ALA 154 N -3.39 -1.67 -0.03 -1.28 0.00 -1.17 -0.03 121.76 114.19 2bko s ALA 154 Ca -0.04 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2bko s ALA 154 Cb 0.11 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.86 2bko s ALA 154 CO 0.84 -0.90 0.06 0.08 0.00 0.00 0.00 175.76 175.84 2bko s VAL 155 N -3.32 -0.04 -0.29 0.00 1.01 -0.20 -0.63 120.40 116.91 2bko s VAL 155 Ca 0.09 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 2bko s VAL 155 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 2bko s VAL 155 CO -0.03 0.06 0.14 -0.60 0.00 0.00 0.00 175.10 174.67 2bko s ARG 156 N 0.82 3.51 -0.39 2.72 6.06 0.11 -1.15 118.95 130.62 2bko s ARG 156 Ca -0.07 -0.60 0.03 0.00 -2.50 0.00 0.00 55.73 52.60 2bko s ARG 156 Cb -0.09 -3.52 0.11 0.00 0.06 0.00 0.00 34.95 31.51 2bko s ARG 156 CO -0.03 -0.32 0.12 0.50 -2.50 0.00 0.00 175.30 173.07 2bko s ARG 157 N 1.64 1.48 7.86 5.12 3.52 0.21 -1.38 118.95 137.39 2bko s ARG 157 Ca 0.05 -1.96 0.00 0.00 -0.13 0.00 0.00 55.73 53.69 2bko s ARG 157 Cb -0.16 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.23 2bko s ARG 157 CO 0.06 -1.01 0.00 0.41 -0.81 0.00 0.00 175.30 173.96 2bko n GLY 158 N 4.00 3.23 1.64 8.12 0.00 -1.26 -2.03 105.19 118.89 2bko n GLY 158 Ca 0.04 -0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2bko n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bko n LYS 159 N 12.09 3.90 -4.14 1.61 5.02 -1.26 -4.96 118.16 130.43 2bko n LYS 159 Ca 0.00 -2.89 -0.16 0.00 -2.02 0.00 0.00 58.31 53.24 2bko n LYS 159 Cb 0.00 -1.96 -0.12 0.00 -0.02 0.00 0.00 35.03 32.94 2bko n LYS 159 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2bko s ARG 160 N -1.99 0.73 -0.02 1.97 0.52 -0.86 -5.15 118.95 114.15 2bko s ARG 160 Ca 0.51 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 2bko s ARG 160 Cb 0.34 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 35.13 2bko s ARG 160 CO 0.23 0.13 0.02 -1.58 0.02 0.00 0.00 175.30 174.13 2bko s TRP 161 N -1.39 3.15 -0.26 -0.53 0.52 -1.26 -0.61 118.94 118.55 2bko s TRP 161 Ca -0.04 0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.23 2bko s TRP 161 Cb -0.09 -1.71 0.07 0.00 -1.15 0.00 0.00 33.47 30.58 2bko s TRP 161 CO 0.02 0.49 -0.01 0.42 0.02 0.00 0.00 176.95 177.88 2bko s ILE 162 N -1.07 1.53 -0.03 2.03 1.09 -0.30 -4.98 121.20 119.46 2bko s ILE 162 Ca 0.19 -1.42 -0.16 0.00 -1.10 0.00 0.00 60.65 58.16 2bko s ILE 162 Cb -0.12 -1.91 -0.05 0.00 -1.06 0.00 0.00 42.46 39.32 2bko s ILE 162 CO 0.09 -0.28 0.42 -0.36 -0.10 0.00 0.00 174.94 174.72 2bko s PHE 163 N 1.36 3.67 -1.10 3.97 0.40 -1.26 -1.04 117.98 123.97 2bko s PHE 163 Ca -0.00 0.96 -0.19 0.00 -0.60 0.00 0.00 56.93 57.10 2bko s PHE 163 Cb -0.19 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 40.97 2bko s PHE 163 CO -0.10 0.51 0.79 0.41 0.70 0.00 0.00 175.22 177.54 2bko n GLY 164 N 2.23 -1.03 3.77 4.36 0.00 0.96 -4.88 105.19 110.60 2bko n GLY 164 Ca -0.12 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 2bko n GLY 164 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bko s PRO 165 N -5.74 3.88 0.82 1.61 0.04 -1.26 -5.02 135.00 129.33 2bko s PRO 165 Ca 0.44 2.38 -0.08 0.00 0.04 0.00 0.00 61.00 63.78 2bko s PRO 165 Cb -0.15 -2.77 0.15 0.00 0.04 0.00 0.00 34.50 31.76 2bko s PRO 165 CO 0.85 -0.65 1.13 0.54 0.04 0.00 0.00 177.00 178.92 2bko s ASN 166 N -0.48 3.91 0.42 6.66 2.20 -1.26 -4.94 114.94 121.45 2bko s ASN 166 Ca 0.58 0.01 0.28 0.00 -0.94 0.00 0.00 52.86 52.78 2bko s ASN 166 Cb -0.43 -0.28 1.52 0.00 -2.00 0.00 0.00 41.25 40.06 2bko s ASN 166 CO 0.56 -2.18 1.87 -0.33 -2.94 0.00 0.00 177.10 174.07 2bko h GLU 167 N -0.99 0.00 -0.01 3.55 5.08 -1.95 -1.40 114.58 118.86 2bko h GLU 167 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2bko h GLU 167 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2bko h GLU 167 CO 0.42 0.00 -0.25 0.09 -1.00 0.00 0.00 179.01 178.27 2bko n ASN 168 N -2.50 0.77 -4.66 1.42 3.02 -1.26 -1.46 115.26 110.59 2bko n ASN 168 Ca -0.02 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 2bko n ASN 168 Cb 0.06 0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 2bko n ASN 168 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2bko s PHE 169 N -2.59 1.96 -0.25 3.10 5.36 -0.53 -4.81 117.98 120.22 2bko s PHE 169 Ca 0.23 0.14 -0.10 0.00 -0.96 0.00 0.00 56.93 56.24 2bko s PHE 169 Cb 0.19 -3.95 -0.05 0.00 -0.34 0.00 0.00 43.02 38.87 2bko s PHE 169 CO 0.54 -4.03 0.16 0.21 -1.46 0.00 0.00 175.22 170.64 2bko s LYS 170 N 3.91 3.98 0.28 10.12 2.20 -1.26 -0.86 119.74 138.11 2bko s LYS 170 Ca 0.75 -0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 2bko s LYS 170 Cb -0.35 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.32 2bko s LYS 170 CO 0.31 -0.05 1.18 0.42 -0.36 0.00 0.00 175.35 176.85 2bko s ILE 171 N 1.37 3.26 0.18 5.43 1.01 -0.07 -4.89 121.20 127.49 2bko s ILE 171 Ca 0.07 1.23 0.09 0.00 0.00 0.00 0.00 60.65 62.04 2bko s ILE 171 Cb -0.15 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2bko s ILE 171 CO 0.07 0.28 -0.20 -0.13 0.00 0.00 0.00 174.94 174.96 2bko s ARG 172 N -1.33 1.36 0.51 2.79 0.52 -1.26 0.06 118.95 121.60 2bko s ARG 172 Ca 0.47 -1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 53.99 2bko s ARG 172 Cb -0.34 -1.48 -0.06 0.00 0.52 0.00 0.00 34.95 33.59 2bko s ARG 172 CO 0.44 0.30 1.36 0.00 0.02 0.00 0.00 175.30 177.42 2bko s ALA 173 N -2.01 2.95 0.00 2.13 0.00 -1.26 -1.99 121.76 121.59 2bko s ALA 173 Ca 0.18 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.47 2bko s ALA 173 Cb -0.06 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2bko s ALA 173 CO 0.08 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 174.99 2bko n GLY 174 N 0.67 1.81 3.77 0.00 0.00 0.56 -4.97 105.19 107.02 2bko n GLY 174 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2bko n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bko s ASP 175 N -2.43 5.91 -0.30 1.61 1.01 -0.84 -4.73 116.67 116.90 2bko s ASP 175 Ca 0.00 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.48 2bko s ASP 175 Cb 0.00 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.40 2bko s ASP 175 CO 0.00 -1.09 -0.02 -0.69 0.21 0.00 0.00 175.17 173.58 2bko s VAL 176 N -1.69 2.70 0.02 -1.27 1.01 -0.48 -1.88 120.40 118.81 2bko s VAL 176 Ca 0.69 -1.57 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 2bko s VAL 176 Cb -0.25 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2bko s VAL 176 CO 0.30 -0.15 0.75 -0.76 0.00 0.00 0.00 175.10 175.23 2bko s LEU 177 N 1.17 4.42 -0.37 3.92 1.43 0.58 -0.72 118.68 129.12 2bko s LEU 177 Ca -0.05 1.39 -0.10 0.00 -1.03 0.00 0.00 54.13 54.34 2bko s LEU 177 Cb -0.20 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 42.86 2bko s LEU 177 CO -0.03 -0.01 0.19 -0.63 0.23 0.00 0.00 176.35 176.10 2bko s ILE 178 N 0.11 4.46 0.26 -0.59 -1.09 0.19 0.33 121.20 124.86 2bko s ILE 178 Ca 0.38 -0.89 0.10 0.00 -2.23 0.00 0.00 60.65 58.02 2bko s ILE 178 Cb -0.20 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2bko s ILE 178 CO 0.22 -0.22 -0.08 -0.83 -1.23 0.00 0.00 174.94 172.79 2bko s GLY 179 N 1.53 1.74 -0.08 6.18 0.00 -0.09 -1.34 107.32 115.26 2bko s GLY 179 Ca 0.02 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.06 2bko s GLY 179 CO 0.06 -1.79 -0.21 -1.60 0.00 0.00 0.00 173.10 169.56 2bko s ARG 180 N -3.53 2.58 0.00 2.90 3.52 0.11 -0.01 118.95 124.52 2bko s ARG 180 Ca 0.30 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 2bko s ARG 180 Cb -0.06 -2.02 0.00 0.00 -1.56 0.00 0.00 34.95 31.31 2bko s ARG 180 CO 0.18 0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.25 2bko n GLY 181 N 3.49 -1.32 3.83 8.12 0.00 -0.60 -1.00 105.19 117.70 2bko n GLY 181 Ca -0.20 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 2bko n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bko s THR 182 N -3.00 3.83 0.00 2.61 -4.23 -1.26 0.62 115.64 114.21 2bko s THR 182 Ca 0.00 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 2bko s THR 182 Cb 0.00 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2bko s THR 182 CO 0.00 -0.78 0.64 -1.14 -0.54 0.00 0.00 174.62 172.81 2bko n ARG 183 N -3.15 0.00 -0.27 3.99 3.00 -1.26 -0.98 116.66 117.99 2bko n ARG 183 Ca 0.07 0.24 0.23 0.00 -0.00 0.00 0.00 57.85 58.39 2bko n ARG 183 Cb 0.55 -1.14 0.42 0.00 0.00 0.00 0.00 32.46 32.29 2bko n ARG 183 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2bko n THR 184 N -1.05 -0.35 0.44 5.15 -2.24 -1.26 0.71 114.28 115.68 2bko n THR 184 Ca 0.00 1.72 -0.19 0.00 -2.27 0.00 0.00 64.05 63.31 2bko n THR 184 Cb 0.00 -2.72 -0.09 0.00 -2.10 0.00 0.00 70.33 65.42 2bko n THR 184 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2bko h SER 185 N 0.00 -0.94 -0.90 3.42 0.87 -1.78 0.17 113.55 114.38 2bko h SER 185 Ca 0.65 0.03 0.24 0.00 -1.23 0.00 0.00 61.79 61.47 2bko h SER 185 Cb 1.65 0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 63.72 2bko h SER 185 CO -0.68 -0.65 0.37 0.40 -0.53 0.00 0.00 176.83 175.74 2bko h ILE 186 N -1.15 0.41 -0.31 2.23 1.08 0.21 1.01 117.51 120.99 2bko h ILE 186 Ca -0.11 -0.12 -0.08 0.00 -0.39 0.00 0.00 64.86 64.16 2bko h ILE 186 Cb 0.86 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 2bko h ILE 186 CO 0.19 0.06 -0.14 0.44 -0.69 0.00 0.00 178.15 178.01 2bko h ASP 187 N 0.34 0.52 -0.07 1.72 3.32 -0.71 -1.59 116.42 119.95 2bko h ASP 187 Ca 0.58 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.48 2bko h ASP 187 Cb 1.15 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 2bko h ASP 187 CO -0.57 0.69 0.04 -0.74 -1.72 0.00 0.00 179.24 176.94 2bko h HIS 188 N 0.49 0.09 -0.14 4.55 2.76 0.40 -1.90 115.15 121.40 2bko h HIS 188 Ca 0.09 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2bko h HIS 188 Cb 0.53 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2bko h HIS 188 CO 0.02 0.10 -0.11 1.25 -1.30 0.00 0.00 177.93 177.89 2bko h LEU 189 N 0.06 0.19 -1.03 0.26 5.85 -0.75 -1.85 115.31 118.05 2bko h LEU 189 Ca 0.03 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2bko h LEU 189 Cb 0.04 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2bko h LEU 189 CO -0.00 0.34 -0.12 0.11 -0.34 0.00 0.00 178.44 178.42 2bko h LYS 190 N 0.20 0.56 -0.31 1.25 1.57 -0.80 0.17 116.57 119.20 2bko h LYS 190 Ca 0.04 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 2bko h LYS 190 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2bko h LYS 190 CO 0.02 0.67 0.08 0.93 -0.57 0.00 0.00 179.45 180.58 2bko h GLU 191 N 0.51 0.49 -0.75 3.15 4.39 -0.57 0.08 114.58 121.88 2bko h GLU 191 Ca 0.09 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 2bko h GLU 191 Cb 0.51 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 2bko h GLU 191 CO 0.03 0.55 0.23 0.82 -1.16 0.00 0.00 179.01 179.48 2bko h ILE 192 N 0.34 1.26 0.00 3.13 2.04 -1.13 -1.04 117.51 122.11 2bko h ILE 192 Ca 0.10 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 2bko h ILE 192 Cb 0.27 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2bko h ILE 192 CO -0.00 0.36 -0.31 0.00 0.00 0.00 0.00 178.15 178.20 2bko h ALA 193 N 1.13 1.18 -0.00 1.87 0.00 -0.33 -2.34 119.26 120.76 2bko h ALA 193 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bko h ALA 193 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bko h ALA 193 CO -0.01 0.39 -0.23 -2.13 0.00 0.00 0.00 179.25 177.27 2bko n ARG 194 N -3.73 0.51 -0.71 0.00 3.00 -0.02 -1.35 116.66 114.36 2bko n ARG 194 Ca -0.01 -0.24 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 2bko n ARG 194 Cb 0.41 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.37 2bko n ARG 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2bko n GLY 195 N 1.37 0.94 0.29 5.14 0.00 -0.88 -4.69 105.19 107.36 2bko n GLY 195 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 2bko n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bko h ALA 196 N 0.00 1.39 -3.39 4.61 0.00 -1.43 -3.39 119.26 117.05 2bko h ALA 196 Ca 0.00 -0.17 -0.67 0.00 0.00 0.00 0.00 54.91 54.07 2bko h ALA 196 Cb 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 17.28 2bko h ALA 196 CO 0.00 0.44 -0.76 0.42 0.00 0.00 0.00 179.25 179.34 2bko s ILE 197 N -5.15 2.65 -1.69 0.00 1.01 -1.11 -4.97 121.20 111.94 2bko s ILE 197 Ca -0.08 -1.18 0.07 0.00 0.00 0.00 0.00 60.65 59.46 2bko s ILE 197 Cb 0.16 -2.38 0.25 0.00 0.01 0.00 0.00 42.46 40.49 2bko s ILE 197 CO 0.77 0.16 1.13 -2.11 0.00 0.00 0.00 174.94 174.89 2bko n ARG 198 N 4.61 1.80 0.00 2.79 -4.01 -1.26 -4.43 116.66 116.16 2bko n ARG 198 Ca -0.16 -0.98 0.00 0.00 -1.04 0.00 0.00 57.85 55.67 2bko n ARG 198 Cb 0.46 -1.34 0.00 0.00 -3.04 0.00 0.00 32.46 28.54 2bko n ARG 198 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92