#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgj n TRP 46 N 0.00 0.00 -4.22 -0.14 2.14 -1.26 -4.91 117.44 109.04 2pgj n TRP 46 Ca 0.00 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.26 2pgj n TRP 46 Cb 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 31.31 30.39 2pgj n TRP 46 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 2pgj s ARG 47 N -2.26 2.62 0.02 -2.67 0.52 -1.26 -5.12 118.95 110.81 2pgj s ARG 47 Ca 0.26 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.76 2pgj s ARG 47 Cb 0.19 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 2pgj s ARG 47 CO 0.44 0.58 -0.08 -0.65 0.02 0.00 0.00 175.30 175.61 2pgj s GLN 48 N -1.94 2.44 0.14 3.54 -0.21 -1.26 -5.04 119.66 117.33 2pgj s GLN 48 Ca 0.22 -0.80 -0.13 0.00 0.02 0.00 0.00 55.36 54.68 2pgj s GLN 48 Cb -0.12 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.47 2pgj s GLN 48 CO 0.14 0.58 1.60 1.15 -2.12 0.00 0.00 175.29 176.64 2pgj h THR 49 N 3.67 1.26 -2.02 -0.19 2.02 -1.96 -3.46 112.91 112.23 2pgj h THR 49 Ca -0.48 -1.05 -0.59 0.00 0.77 0.00 0.00 66.41 65.05 2pgj h THR 49 Cb 1.17 1.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.44 2pgj h THR 49 CO 0.53 0.37 -0.65 0.26 0.37 0.00 0.00 175.52 176.40 2pgj s TRP 50 N -5.02 2.34 -0.22 3.16 0.52 -1.26 -5.06 118.94 113.40 2pgj s TRP 50 Ca -0.12 -0.61 0.22 0.00 0.02 0.00 0.00 56.10 55.60 2pgj s TRP 50 Cb 0.11 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.96 2pgj s TRP 50 CO 0.82 0.46 1.02 0.77 0.02 0.00 0.00 176.95 180.03 2pgj h SER 51 N 1.99 0.00 -2.44 2.95 0.02 -1.91 -3.43 113.55 110.73 2pgj h SER 51 Ca -0.42 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.08 2pgj h SER 51 Cb 1.24 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.81 2pgj h SER 51 CO 0.73 0.08 -0.13 -0.83 -1.14 0.00 0.00 176.83 175.54 2pgj s GLY 52 N -4.42 1.67 0.63 -3.77 0.00 -0.33 -4.85 107.32 96.24 2pgj s GLY 52 Ca -0.01 -1.24 -0.18 0.00 0.00 0.00 0.00 44.72 43.30 2pgj s GLY 52 CO 0.79 -1.05 0.86 -1.05 0.00 0.00 0.00 173.10 172.65 2pgj n PRO 53 N -2.07 0.70 -1.74 2.90 -0.02 -1.26 -2.05 135.00 131.46 2pgj n PRO 53 Ca 0.03 0.28 -0.25 0.00 -2.02 0.00 0.00 63.50 61.55 2pgj n PRO 53 Cb 0.58 -2.08 0.17 0.00 -0.02 0.00 0.00 33.50 32.16 2pgj n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pgj n GLY 54 N 1.37 -1.17 3.74 -1.23 0.00 -1.24 -1.84 105.19 104.83 2pgj n GLY 54 Ca 0.13 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2pgj n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pgj n THR 55 N -3.47 1.06 -1.67 2.61 -1.04 -0.52 -4.67 114.28 106.58 2pgj n THR 55 Ca 0.14 -0.26 -0.45 0.00 -2.04 0.00 0.00 64.05 61.44 2pgj n THR 55 Cb 0.50 -1.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 2pgj n THR 55 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2pgj n THR 56 N 2.08 0.87 -1.68 12.58 -1.04 -0.63 -4.70 114.28 121.76 2pgj n THR 56 Ca 0.08 -0.22 -0.43 0.00 -2.04 0.00 0.00 64.05 61.44 2pgj n THR 56 Cb 0.37 -1.47 -0.01 0.00 -1.82 0.00 0.00 70.33 67.40 2pgj n THR 56 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2pgj n LYS 57 N 2.13 1.99 -2.88 -2.82 2.85 -1.26 -1.88 118.16 116.28 2pgj n LYS 57 Ca 0.12 0.70 -0.21 0.00 -1.05 0.00 0.00 58.31 57.87 2pgj n LYS 57 Cb 0.31 -2.25 0.01 0.00 -0.65 0.00 0.00 35.03 32.46 2pgj n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2pgj n ARG 58 N 0.68 -3.61 -0.15 -1.58 1.74 -1.26 -4.90 116.66 107.58 2pgj n ARG 58 Ca 0.06 0.81 -0.05 0.00 -0.77 0.00 0.00 57.85 57.90 2pgj n ARG 58 Cb 0.35 -5.57 0.01 0.00 -1.02 0.00 0.00 32.46 26.22 2pgj n ARG 58 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2pgj h PHE 59 N -0.84 -0.74 -0.23 -1.55 3.57 -1.74 0.10 116.94 115.51 2pgj h PHE 59 Ca -0.47 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.09 2pgj h PHE 59 Cb 1.33 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.46 2pgj h PHE 59 CO 0.59 -0.35 0.14 -1.35 -2.23 0.00 0.00 178.31 175.11 2pgj h PRO 60 N -0.17 0.29 -0.99 6.41 0.11 -1.91 -0.13 132.00 135.61 2pgj h PRO 60 Ca 0.21 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.35 2pgj h PRO 60 Cb 0.51 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.49 2pgj h PRO 60 CO -0.58 0.19 0.64 0.93 -0.21 0.00 0.00 178.00 178.98 2pgj h GLU 61 N 0.29 1.17 -0.13 1.05 3.07 -1.85 -1.69 114.58 116.49 2pgj h GLU 61 Ca 0.09 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 2pgj h GLU 61 Cb -0.02 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 27.62 2pgj h GLU 61 CO -0.03 0.77 0.00 1.15 -1.40 0.00 0.00 179.01 179.50 2pgj h THR 62 N 1.21 1.25 -0.24 1.13 2.02 -0.15 -1.17 112.91 116.95 2pgj h THR 62 Ca 0.41 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2pgj h THR 62 Cb 0.08 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2pgj h THR 62 CO -0.15 0.24 0.16 0.58 0.37 0.00 0.00 175.52 176.72 2pgj h VAL 63 N -0.03 1.07 -0.53 3.16 2.07 -0.87 0.08 116.25 121.20 2pgj h VAL 63 Ca 0.04 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2pgj h VAL 63 Cb 0.37 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2pgj h VAL 63 CO 0.01 0.07 0.35 0.25 0.02 0.00 0.00 177.57 178.26 2pgj h LEU 64 N 0.32 0.61 -0.89 2.57 5.85 -1.30 -0.09 115.31 122.37 2pgj h LEU 64 Ca 0.09 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 2pgj h LEU 64 Cb -0.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2pgj h LEU 64 CO -0.02 0.44 0.02 0.00 -0.34 0.00 0.00 178.44 178.54 2pgj h ALA 65 N 1.20 1.08 -0.56 1.25 0.00 -0.99 -1.30 119.26 119.94 2pgj h ALA 65 Ca 0.20 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2pgj h ALA 65 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2pgj h ALA 65 CO -0.05 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.76 2pgj h ARG 66 N 0.78 1.01 -0.01 0.00 3.08 -0.52 -0.80 114.38 117.91 2pgj h ARG 66 Ca 0.15 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2pgj h ARG 66 Cb 0.45 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2pgj h ARG 66 CO 0.02 1.02 0.01 0.00 -1.07 0.00 0.00 179.97 179.94 2pgj h VAL 68 N -0.03 0.77 -0.56 0.00 2.07 -1.10 -2.10 116.25 115.30 2pgj h VAL 68 Ca 0.00 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2pgj h VAL 68 Cb 0.04 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2pgj h VAL 68 CO -0.00 0.03 0.15 0.50 0.02 0.00 0.00 177.57 178.27 2pgj h LYS 69 N 0.15 0.88 -0.32 1.57 3.64 -0.97 -1.87 116.57 119.64 2pgj h LYS 69 Ca 0.18 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2pgj h LYS 69 Cb 0.22 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2pgj h LYS 69 CO -0.26 0.82 0.18 -0.92 -2.27 0.00 0.00 179.45 176.99 2pgj h TYR 70 N 0.79 0.34 0.00 1.91 3.20 -0.63 -1.34 116.97 121.24 2pgj h TYR 70 Ca 0.18 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 2pgj h TYR 70 Cb 0.32 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2pgj h TYR 70 CO 0.02 0.19 -0.43 1.79 -1.64 0.00 0.00 178.16 178.10 2pgj h THR 71 N 0.37 1.15 -0.53 1.81 1.35 -1.27 0.37 112.91 116.16 2pgj h THR 71 Ca 0.13 -1.54 -0.11 0.00 -0.55 0.00 0.00 66.41 64.34 2pgj h THR 71 Cb 0.02 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 2pgj h THR 71 CO -0.07 0.42 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.19 2pgj h GLU 72 N 0.00 0.99 -0.07 4.72 5.08 -0.95 -3.17 114.58 121.19 2pgj h GLU 72 Ca -0.00 -0.36 -0.25 0.00 -1.00 0.00 0.00 59.36 57.75 2pgj h GLU 72 Cb 0.83 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.03 2pgj h GLU 72 CO 0.06 1.04 -0.92 0.82 -1.00 0.00 0.00 179.01 179.00 2pgj h ILE 73 N 0.86 1.28 -3.44 3.13 2.04 -0.95 -3.40 117.51 117.03 2pgj h ILE 73 Ca 0.14 -2.14 -0.70 0.00 1.00 0.00 0.00 64.86 63.17 2pgj h ILE 73 Cb 0.65 2.20 -0.36 0.00 -0.74 0.00 0.00 36.82 38.58 2pgj h ILE 73 CO 0.05 0.67 -0.27 -1.00 0.00 0.00 0.00 178.15 177.59 2pgj s HIS 74 N -3.51 3.60 0.63 1.37 3.76 0.13 -4.95 115.29 116.31 2pgj s HIS 74 Ca -0.10 -2.87 0.35 0.00 -0.15 0.00 0.00 55.06 52.29 2pgj s HIS 74 Cb 0.08 -3.19 1.97 0.00 1.11 0.00 0.00 32.58 32.55 2pgj s HIS 74 CO 0.91 -0.78 2.22 -1.35 -0.85 0.00 0.00 174.74 174.89 2pgj h PRO 75 N 6.53 0.00 0.00 8.40 0.11 -1.79 -0.79 132.00 144.46 2pgj h PRO 75 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2pgj h PRO 75 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2pgj h PRO 75 CO 0.77 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.61 2pgj h GLU 76 N 0.00 0.00 -0.57 1.05 9.09 -1.92 -2.68 114.58 119.54 2pgj h GLU 76 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2pgj h GLU 76 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 2pgj h GLU 76 CO -0.00 0.00 0.00 -1.33 0.05 0.00 0.00 179.01 177.73 2pgj n MET 77 N -2.95 3.85 0.00 1.06 2.81 -0.30 -4.52 117.12 117.07 2pgj n MET 77 Ca -0.01 -2.90 0.12 0.00 -1.81 0.00 0.00 57.70 53.10 2pgj n MET 77 Cb 0.20 -1.93 0.60 0.00 -0.71 0.00 0.00 33.22 31.38 2pgj n MET 77 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2pgj n ARG 78 N 0.81 0.38 0.00 0.03 1.74 -1.01 -2.40 116.66 116.20 2pgj n ARG 78 Ca 0.25 0.06 0.09 0.00 -0.77 0.00 0.00 57.85 57.48 2pgj n ARG 78 Cb 0.93 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 31.36 2pgj n ARG 78 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2pgj n HIS 79 N -1.26 0.00 -3.06 -1.55 1.44 -1.26 -4.80 115.22 104.74 2pgj n HIS 79 Ca 0.12 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.43 2pgj n HIS 79 Cb 0.18 -0.24 -0.06 0.00 0.12 0.00 0.00 29.99 29.99 2pgj n HIS 79 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2pgj s VAL 80 N -2.48 4.61 -0.41 0.61 1.01 -1.01 -5.04 120.40 117.69 2pgj s VAL 80 Ca 0.19 1.54 -0.15 0.00 0.00 0.00 0.00 61.98 63.57 2pgj s VAL 80 Cb 0.13 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.46 2pgj s VAL 80 CO 0.27 0.47 0.31 -0.62 0.00 0.00 0.00 175.10 175.53 2pgj s ASP 81 N -0.69 6.11 0.42 3.32 3.68 -1.26 -4.97 116.67 123.28 2pgj s ASP 81 Ca 0.35 -0.92 0.12 0.00 2.13 0.00 0.00 52.55 54.23 2pgj s ASP 81 Cb -0.21 -2.16 0.92 0.00 -1.45 0.00 0.00 42.92 40.01 2pgj s ASP 81 CO 0.23 -0.46 1.97 0.00 0.13 0.00 0.00 175.17 177.03 2pgj h GLN 83 N 0.12 1.10 -0.58 0.00 5.75 -1.95 -1.27 115.11 118.27 2pgj h GLN 83 Ca 0.02 -0.31 -0.10 0.00 -0.15 0.00 0.00 58.65 58.12 2pgj h GLN 83 Cb 0.31 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2pgj h GLN 83 CO 0.02 1.02 -0.01 0.77 -2.65 0.00 0.00 178.83 177.98 2pgj h SER 84 N 1.01 1.00 -0.07 -0.69 0.02 -1.71 -0.31 113.55 112.81 2pgj h SER 84 Ca 0.20 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2pgj h SER 84 Cb 0.47 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2pgj h SER 84 CO 0.02 1.06 0.03 0.58 -1.14 0.00 0.00 176.83 177.38 2pgj h VAL 85 N 0.94 0.99 -0.53 2.27 2.07 -1.04 -0.75 116.25 120.20 2pgj h VAL 85 Ca 0.17 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.67 2pgj h VAL 85 Cb 0.56 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2pgj h VAL 85 CO 0.03 0.01 0.34 -0.25 0.02 0.00 0.00 177.57 177.72 2pgj h TRP 86 N 0.07 0.65 -0.71 1.57 2.91 -0.94 -0.55 115.95 118.95 2pgj h TRP 86 Ca 0.03 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.13 2pgj h TRP 86 Cb 0.01 -0.22 -0.06 0.00 -0.51 0.00 0.00 29.16 28.39 2pgj h TRP 86 CO -0.09 0.40 0.40 -0.44 -1.03 0.00 0.00 178.44 177.68 2pgj h ASP 87 N 0.69 0.60 -0.46 2.65 3.32 -0.82 0.14 116.42 122.55 2pgj h ASP 87 Ca 0.20 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 2pgj h ASP 87 Cb -0.06 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2pgj h ASP 87 CO -0.05 0.38 -0.13 0.00 -1.72 0.00 0.00 179.24 177.72 2pgj h ALA 88 N 1.36 0.83 0.58 3.45 0.00 -0.64 -0.78 119.26 124.06 2pgj h ALA 88 Ca 0.32 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2pgj h ALA 88 Cb 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pgj h ALA 88 CO -0.19 0.65 -0.28 0.35 0.00 0.00 0.00 179.25 179.79 2pgj h PHE 89 N 0.84 -0.72 -0.78 0.00 3.04 -0.43 -2.68 116.94 116.21 2pgj h PHE 89 Ca 0.13 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.19 2pgj h PHE 89 Cb 0.67 0.24 -0.09 0.00 2.56 0.00 0.00 35.95 39.33 2pgj h PHE 89 CO 0.04 -0.41 0.38 -0.22 -2.02 0.00 0.00 178.31 176.09 2pgj h LYS 90 N -0.88 0.57 -0.09 1.11 3.64 -0.75 -1.76 116.57 118.40 2pgj h LYS 90 Ca -0.08 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2pgj h LYS 90 Cb 0.63 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2pgj h LYS 90 CO 0.13 0.37 0.07 0.78 -2.27 0.00 0.00 179.45 178.54 2pgj h GLY 91 N 0.58 0.00 2.00 5.01 0.00 -0.96 0.86 103.07 110.56 2pgj h GLY 91 Ca 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 2pgj h GLY 91 CO -0.34 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 175.97 2pgj h ALA 92 N 1.94 1.31 0.00 3.60 0.00 -0.98 -3.38 119.26 121.76 2pgj h ALA 92 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2pgj h ALA 92 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pgj h ALA 92 CO -0.00 0.29 -0.21 1.97 0.00 0.00 0.00 179.25 181.31 2pgj n PHE 93 N -3.82 0.00 -2.26 0.00 1.16 -0.89 -4.79 117.46 106.85 2pgj n PHE 93 Ca -0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.16 2pgj n PHE 93 Cb 0.33 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.17 2pgj n PHE 93 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2pgj s ILE 94 N -0.48 3.14 0.00 1.97 -1.09 0.24 -2.66 121.20 122.32 2pgj s ILE 94 Ca 0.00 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 2pgj s ILE 94 Cb 0.00 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2pgj s ILE 94 CO 0.00 0.22 0.00 -1.20 -1.23 0.00 0.00 174.94 172.73 2pgj n SER 95 N 1.58 0.00 -4.91 3.58 7.64 -1.13 -4.93 113.62 115.46 2pgj n SER 95 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 2pgj n SER 95 Cb 0.43 -0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 2pgj n SER 95 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2pgj s LYS 96 N -0.07 3.46 0.05 1.43 1.02 -1.09 -1.19 119.74 123.35 2pgj s LYS 96 Ca 0.00 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 2pgj s LYS 96 Cb 0.00 -3.07 -0.08 0.00 -0.52 0.00 0.00 37.83 34.16 2pgj s LYS 96 CO 0.00 0.65 1.62 -1.58 -0.92 0.00 0.00 175.35 175.11 2pgj s HIS 97 N -1.39 2.43 -2.00 3.18 5.65 -1.26 -3.85 115.29 118.06 2pgj s HIS 97 Ca 0.30 0.38 0.04 0.00 0.25 0.00 0.00 55.06 56.03 2pgj s HIS 97 Cb -0.13 -3.92 0.23 0.00 -1.18 0.00 0.00 32.58 27.59 2pgj s HIS 97 CO 0.21 -3.66 0.78 -0.35 -0.65 0.00 0.00 174.74 171.08 2pgj n PRO 98 N 5.73 0.59 -0.09 2.88 -0.04 -1.26 -0.92 135.00 141.89 2pgj n PRO 98 Ca 0.16 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 2pgj n PRO 98 Cb 0.41 -1.10 0.12 0.00 -0.04 0.00 0.00 33.50 32.89 2pgj n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pgj n ASP 100 N 0.90 1.96 -4.77 0.00 8.00 -0.10 -4.43 116.55 118.12 2pgj n ASP 100 Ca 0.12 -3.05 -0.39 0.00 0.71 0.00 0.00 54.79 52.18 2pgj n ASP 100 Cb 0.43 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 2pgj n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pgj s ILE 101 N -2.54 3.76 0.24 0.53 -1.09 -0.76 -4.92 121.20 116.41 2pgj s ILE 101 Ca 0.29 1.59 0.09 0.00 -2.23 0.00 0.00 60.65 60.39 2pgj s ILE 101 Cb 0.26 -3.94 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2pgj s ILE 101 CO 0.01 0.25 -0.15 0.42 -1.23 0.00 0.00 174.94 174.23 2pgj s THR 102 N -1.38 1.99 0.39 2.92 -4.23 -1.26 -4.74 115.64 109.33 2pgj s THR 102 Ca 0.49 -2.27 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 2pgj s THR 102 Cb -0.26 -2.18 0.29 0.00 1.34 0.00 0.00 72.50 71.69 2pgj s THR 102 CO 0.33 -0.50 2.00 -0.33 -0.54 0.00 0.00 174.62 175.59 2pgj h GLU 103 N 2.42 0.62 -0.17 3.99 5.08 -1.97 -1.69 114.58 122.88 2pgj h GLU 103 Ca -0.39 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2pgj h GLU 103 Cb 1.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2pgj h GLU 103 CO 0.62 0.41 -0.00 0.93 -1.00 0.00 0.00 179.01 179.97 2pgj h GLU 104 N 0.64 0.24 -0.63 2.33 3.07 -2.00 -1.31 114.58 116.93 2pgj h GLU 104 Ca 0.25 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.18 2pgj h GLU 104 Cb 0.17 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 2pgj h GLU 104 CO -0.07 0.27 0.42 -0.44 -1.40 0.00 0.00 179.01 177.79 2pgj h ASP 105 N 0.24 0.37 -0.06 1.42 3.32 -1.63 -1.67 116.42 118.41 2pgj h ASP 105 Ca 0.06 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2pgj h ASP 105 Cb 0.17 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2pgj h ASP 105 CO 0.00 0.22 0.00 -1.22 -1.72 0.00 0.00 179.24 176.52 2pgj n TYR 106 N -4.47 0.06 -0.17 4.55 4.02 -0.50 -4.19 117.16 116.46 2pgj n TYR 106 Ca 0.11 -0.03 -0.07 0.00 -0.01 0.00 0.00 57.90 57.90 2pgj n TYR 106 Cb 0.40 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.74 2pgj n TYR 106 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2pgj h GLN 107 N 2.41 0.66 -0.77 -0.72 1.08 -1.20 -0.13 115.11 116.45 2pgj h GLN 107 Ca 0.00 -0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.24 2pgj h GLN 107 Cb 0.52 -0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.73 2pgj h GLN 107 CO 0.00 0.44 0.43 -1.35 -0.95 0.00 0.00 178.83 177.40 2pgj h PRO 108 N 0.68 0.73 -0.46 1.46 0.11 -1.79 0.57 132.00 133.31 2pgj h PRO 108 Ca 0.19 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2pgj h PRO 108 Cb -0.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.85 2pgj h PRO 108 CO -0.04 0.49 0.17 1.25 -0.21 0.00 0.00 178.00 179.66 2pgj h LEU 109 N 0.76 0.65 -0.88 2.35 5.85 -1.66 -2.23 115.31 120.15 2pgj h LEU 109 Ca 0.36 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2pgj h LEU 109 Cb 0.29 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2pgj h LEU 109 CO -0.22 0.66 0.57 0.24 -0.34 0.00 0.00 178.44 179.34 2pgj h MET 110 N 0.61 1.08 -0.14 1.25 2.86 -0.23 -0.45 114.93 119.91 2pgj h MET 110 Ca 0.15 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2pgj h MET 110 Cb 0.22 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 2pgj h MET 110 CO -0.01 0.72 0.06 -0.22 1.06 0.00 0.00 176.91 178.52 2pgj h LYS 111 N 1.12 0.21 -0.04 1.72 3.64 -0.73 -2.16 116.57 120.32 2pgj h LYS 111 Ca 0.35 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2pgj h LYS 111 Cb -0.01 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2pgj h LYS 111 CO -0.11 0.29 -0.31 -0.07 -2.27 0.00 0.00 179.45 176.97 2pgj h LEU 112 N 0.08 0.08 -1.65 5.20 3.38 -1.02 -2.81 115.31 118.57 2pgj h LEU 112 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2pgj h LEU 112 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pgj h LEU 112 CO -0.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2pgj n GLY 113 N -0.57 1.09 3.57 0.83 0.00 -0.21 -4.94 105.19 104.96 2pgj n GLY 113 Ca -0.02 -0.49 -0.53 0.00 0.00 0.00 0.00 46.02 44.98 2pgj n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pgj n THR 114 N 0.81 0.03 -3.67 2.61 -1.04 -0.83 -4.74 114.28 107.46 2pgj n THR 114 Ca 0.15 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.05 62.07 2pgj n THR 114 Cb 0.38 -0.68 -0.09 0.00 -1.82 0.00 0.00 70.33 68.12 2pgj n THR 114 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2pgj s GLN 115 N 0.37 0.49 -0.35 -2.82 0.74 -1.26 -5.10 119.66 111.74 2pgj s GLN 115 Ca 0.85 0.97 -0.12 0.00 0.05 0.00 0.00 55.36 57.11 2pgj s GLN 115 Cb -1.00 0.10 -0.01 0.00 1.10 0.00 0.00 33.01 33.20 2pgj s GLN 115 CO 0.49 -0.17 0.23 0.99 -0.55 0.00 0.00 175.29 176.28 2pgj s THR 116 N 1.65 5.07 0.09 -0.34 2.01 -1.26 -5.07 115.64 117.78 2pgj s THR 116 Ca -0.09 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.55 2pgj s THR 116 Cb -0.08 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2pgj s THR 116 CO -0.15 -0.06 0.14 0.68 -0.69 0.00 0.00 174.62 174.54 2pgj s VAL 117 N 1.68 4.87 -0.22 3.82 -7.23 -1.26 -5.03 120.40 117.03 2pgj s VAL 117 Ca 0.05 -0.66 -0.35 0.00 -1.81 0.00 0.00 61.98 59.20 2pgj s VAL 117 Cb -0.18 -3.38 -0.12 0.00 0.56 0.00 0.00 36.38 33.26 2pgj s VAL 117 CO 0.09 0.09 1.97 -2.65 -0.31 0.00 0.00 175.10 174.30 2pgj n PRO 118 N 0.26 1.61 0.32 4.82 -0.02 -1.26 -4.79 135.00 135.93 2pgj n PRO 118 Ca -0.07 0.54 0.21 0.00 -2.02 0.00 0.00 63.50 62.16 2pgj n PRO 118 Cb 0.52 -2.51 1.06 0.00 -0.02 0.00 0.00 33.50 32.55 2pgj n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pgj n ASN 120 N -3.16 2.23 -2.43 0.00 6.94 -1.26 -1.02 115.26 116.57 2pgj n ASN 120 Ca -0.02 -1.97 -0.14 0.00 -0.02 0.00 0.00 54.58 52.43 2pgj n ASN 120 Cb 0.13 -0.27 0.03 0.00 -2.36 0.00 0.00 39.78 37.32 2pgj n ASN 120 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2pgj n LYS 121 N 0.72 2.68 -3.84 -3.83 5.02 -0.77 -4.68 118.16 113.45 2pgj n LYS 121 Ca 0.14 -3.87 -0.35 0.00 -2.02 0.00 0.00 58.31 52.21 2pgj n LYS 121 Cb 0.36 -1.94 -0.09 0.00 -0.02 0.00 0.00 35.03 33.34 2pgj n LYS 121 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pgj s ILE 122 N -4.26 5.11 -0.26 -0.18 1.01 -1.26 -1.17 121.20 120.19 2pgj s ILE 122 Ca 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.10 2pgj s ILE 122 Cb 0.38 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 39.55 2pgj s ILE 122 CO -0.01 0.43 -0.04 -0.22 0.00 0.00 0.00 174.94 175.11 2pgj s LEU 123 N 0.49 3.35 0.40 2.97 2.96 0.63 -2.48 118.68 127.01 2pgj s LEU 123 Ca 0.06 -0.90 0.02 0.00 -0.22 0.00 0.00 54.13 53.09 2pgj s LEU 123 Cb -0.12 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2pgj s LEU 123 CO -0.00 -0.15 0.59 -0.76 -1.32 0.00 0.00 176.35 174.71 2pgj s LEU 124 N 1.34 3.82 0.12 -0.68 1.43 0.56 -4.04 118.68 121.22 2pgj s LEU 124 Ca -0.00 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 2pgj s LEU 124 Cb -0.17 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 42.99 2pgj s LEU 124 CO -0.03 -0.54 0.38 -1.66 0.23 0.00 0.00 176.35 174.73 2pgj s TRP 125 N -2.40 -0.18 -0.12 0.29 1.48 -1.26 -1.02 118.94 115.73 2pgj s TRP 125 Ca 0.45 -0.12 -0.04 0.00 -1.06 0.00 0.00 56.10 55.33 2pgj s TRP 125 Cb -0.10 0.23 0.06 0.00 -1.16 0.00 0.00 33.47 32.50 2pgj s TRP 125 CO 0.36 -0.68 0.18 0.45 -4.06 0.00 0.00 176.95 173.20 2pgj s SER 126 N -2.74 0.91 0.00 -2.66 0.15 -0.58 -4.76 113.70 104.02 2pgj s SER 126 Ca 0.02 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2pgj s SER 126 Cb 0.02 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2pgj s SER 126 CO -0.11 -0.27 0.00 0.54 1.20 0.00 0.00 173.24 174.60 2pgj n ARG 127 N 5.32 0.00 -2.70 5.44 3.00 -1.26 -3.47 116.66 122.99 2pgj n ARG 127 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.41 2pgj n ARG 127 Cb 0.50 -2.09 0.01 0.00 0.00 0.00 0.00 32.46 30.88 2pgj n ARG 127 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2pgj n ILE 128 N -1.38 5.55 0.02 0.55 0.13 -1.26 -4.85 119.36 118.11 2pgj n ILE 128 Ca 0.00 -5.91 -0.12 0.00 -1.10 0.00 0.00 62.75 55.62 2pgj n ILE 128 Cb 0.00 -1.53 -0.06 0.00 -0.84 0.00 0.00 39.64 37.21 2pgj n ILE 128 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 2pgj h LYS 129 N 4.00 0.07 -0.37 9.51 3.64 -1.95 -2.93 116.57 128.53 2pgj h LYS 129 Ca 0.46 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.76 2pgj h LYS 129 Cb 0.36 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2pgj h LYS 129 CO 1.11 0.07 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.85 2pgj h ASP 130 N 0.05 0.70 -0.62 4.20 3.32 -1.99 -2.08 116.42 120.00 2pgj h ASP 130 Ca 0.02 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2pgj h ASP 130 Cb 0.02 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2pgj h ASP 130 CO -0.00 0.90 0.23 0.25 -1.72 0.00 0.00 179.24 178.90 2pgj h LEU 131 N 0.50 0.88 -0.78 1.55 6.46 -1.98 0.66 115.31 122.60 2pgj h LEU 131 Ca 0.09 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2pgj h LEU 131 Cb 0.58 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 2pgj h LEU 131 CO 0.03 0.82 0.48 0.00 -0.62 0.00 0.00 178.44 179.15 2pgj h ALA 132 N 1.09 1.04 -0.13 1.25 0.00 -1.35 0.12 119.26 121.28 2pgj h ALA 132 Ca 0.21 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.89 2pgj h ALA 132 Cb 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pgj h ALA 132 CO -0.01 0.25 -0.75 0.45 0.00 0.00 0.00 179.25 179.19 2pgj h HIS 133 N 0.91 1.00 -0.95 0.00 3.86 -1.07 -2.66 115.15 116.23 2pgj h HIS 133 Ca 0.32 -0.45 0.07 0.00 -1.16 0.00 0.00 60.37 59.15 2pgj h HIS 133 Cb 0.08 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.34 2pgj h HIS 133 CO -0.04 1.28 0.62 1.96 0.86 0.00 0.00 177.93 182.60 2pgj h GLN 134 N 0.43 1.05 0.31 2.45 4.20 -0.52 -1.33 115.11 121.71 2pgj h GLN 134 Ca -0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2pgj h GLN 134 Cb 1.39 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2pgj h GLN 134 CO 0.15 0.70 -0.15 0.35 -0.67 0.00 0.00 178.83 179.21 2pgj h PHE 135 N 1.09 -0.38 0.00 2.96 3.04 -0.65 -2.82 116.94 120.17 2pgj h PHE 135 Ca 0.42 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.36 2pgj h PHE 135 Cb 0.21 0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.85 2pgj h PHE 135 CO -0.00 -0.19 0.00 0.25 -2.02 0.00 0.00 178.31 176.35 2pgj n THR 136 N -5.24 0.49 0.15 4.41 -2.24 -1.01 -0.10 114.28 110.73 2pgj n THR 136 Ca -0.10 0.12 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 2pgj n THR 136 Cb 0.20 -0.77 0.13 0.00 -2.10 0.00 0.00 70.33 67.79 2pgj n THR 136 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2pgj h GLN 137 N 0.00 0.00 0.00 -0.78 4.20 -1.00 -3.34 115.11 114.18 2pgj h GLN 137 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2pgj h GLN 137 Cb 0.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2pgj h GLN 137 CO 0.00 0.54 -1.38 0.28 -0.67 0.00 0.00 178.83 177.59 2pgj n VAL 138 N -3.38 1.50 -2.23 -0.54 0.31 -0.54 -4.59 118.33 108.85 2pgj n VAL 138 Ca 0.01 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 2pgj n VAL 138 Cb 0.68 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 2pgj n VAL 138 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2pgj n GLN 139 N -4.43 3.11 0.00 5.55 -0.06 0.86 -4.76 117.38 117.65 2pgj n GLN 139 Ca -0.27 -3.06 0.00 0.00 -2.00 0.00 0.00 57.00 51.67 2pgj n GLN 139 Cb 0.60 -3.31 0.00 0.00 -4.06 0.00 0.00 30.24 23.46 2pgj n GLN 139 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2pgj n ARG 140 N 6.74 0.00 0.09 3.69 5.12 -1.25 -1.42 116.66 129.63 2pgj n ARG 140 Ca 0.48 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 56.27 2pgj n ARG 140 Cb 0.42 -1.48 -0.12 0.00 -1.16 0.00 0.00 32.46 30.12 2pgj n ARG 140 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2pgj h ASP 141 N 0.00 0.31 -2.00 0.55 1.82 -1.86 -3.47 116.42 111.78 2pgj h ASP 141 Ca 0.00 -0.32 -0.50 0.00 -0.39 0.00 0.00 57.03 55.82 2pgj h ASP 141 Cb 0.00 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 39.87 2pgj h ASP 141 CO 0.00 1.24 -0.47 -0.04 -1.61 0.00 0.00 179.24 178.35 2pgj s MET 142 N -2.73 2.85 -0.02 0.28 -1.94 -0.50 -4.89 119.30 112.33 2pgj s MET 142 Ca -0.03 -1.17 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 2pgj s MET 142 Cb 0.08 -2.54 0.02 0.00 2.01 0.00 0.00 34.83 34.40 2pgj s MET 142 CO 0.86 0.23 -0.01 -0.06 -0.01 0.00 0.00 175.02 176.03 2pgj s PHE 143 N -2.22 0.35 0.54 -0.03 0.08 -0.31 -4.82 117.98 111.55 2pgj s PHE 143 Ca 0.38 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.43 2pgj s PHE 143 Cb -0.07 -0.38 0.04 0.00 -0.57 0.00 0.00 43.02 42.04 2pgj s PHE 143 CO 0.26 -0.10 0.75 0.95 -0.10 0.00 0.00 175.22 176.97 2pgj s THR 144 N 0.74 2.67 0.41 0.64 -4.23 -1.26 -0.27 115.64 114.35 2pgj s THR 144 Ca -0.08 -0.76 0.09 0.00 -1.18 0.00 0.00 61.69 59.77 2pgj s THR 144 Cb -0.11 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.11 2pgj s THR 144 CO -0.01 0.00 2.02 0.25 -0.54 0.00 0.00 174.62 176.34 2pgj h LEU 145 N 0.16 0.46 0.00 4.79 5.85 -1.97 -0.79 115.31 123.81 2pgj h LEU 145 Ca -0.40 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2pgj h LEU 145 Cb 1.29 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2pgj h LEU 145 CO 0.49 0.31 0.00 -0.62 -0.34 0.00 0.00 178.44 178.28 2pgj n GLU 146 N -4.47 0.34 0.00 1.25 4.71 -1.26 -2.02 120.64 119.19 2pgj n GLU 146 Ca 0.06 0.05 0.12 0.00 -0.01 0.00 0.00 57.16 57.39 2pgj n GLU 146 Cb 0.19 -1.50 0.26 0.00 -1.01 0.00 0.00 31.44 29.38 2pgj n GLU 146 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2pgj n ASP 147 N -1.29 0.53 -4.89 1.62 10.43 -0.30 -3.15 116.55 119.49 2pgj n ASP 147 Ca 0.12 -0.29 -0.29 0.00 2.57 0.00 0.00 54.79 56.90 2pgj n ASP 147 Cb 0.20 0.24 -0.01 0.00 1.84 0.00 0.00 41.12 43.39 2pgj n ASP 147 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pgj s THR 148 N -2.97 4.84 0.14 -3.53 -4.23 -0.86 -4.90 115.64 104.14 2pgj s THR 148 Ca 0.12 0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 60.85 2pgj s THR 148 Cb 0.18 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.22 2pgj s THR 148 CO 0.69 -0.76 1.65 0.25 -0.54 0.00 0.00 174.62 175.91 2pgj h LEU 149 N 0.55 -0.58 -0.65 4.79 5.85 -1.89 0.35 115.31 123.73 2pgj h LEU 149 Ca -0.47 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 2pgj h LEU 149 Cb 1.20 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2pgj h LEU 149 CO 0.62 -0.22 0.07 -0.07 -0.34 0.00 0.00 178.44 178.50 2pgj h LEU 150 N -0.19 1.07 -0.62 2.25 3.38 -1.87 -0.86 115.31 118.47 2pgj h LEU 150 Ca 0.13 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 2pgj h LEU 150 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pgj h LEU 150 CO -0.32 1.08 0.02 1.23 0.09 0.00 0.00 178.44 180.53 2pgj h GLY 151 N 1.02 1.16 1.00 0.83 0.00 -1.55 -2.75 103.07 102.78 2pgj h GLY 151 Ca 0.19 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 2pgj h GLY 151 CO 0.02 0.77 0.33 -1.82 0.00 0.00 0.00 176.54 175.85 2pgj h TYR 152 N 0.98 0.95 -0.56 5.60 5.03 -0.59 -1.19 116.97 127.19 2pgj h TYR 152 Ca 0.18 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2pgj h TYR 152 Cb 0.54 -0.30 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 2pgj h TYR 152 CO 0.04 0.70 0.36 -0.07 -1.32 0.00 0.00 178.16 177.87 2pgj h LEU 153 N 0.93 0.66 0.00 2.82 3.38 -0.99 -3.26 115.31 118.85 2pgj h LEU 153 Ca 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2pgj h LEU 153 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2pgj h LEU 153 CO -0.03 0.49 -1.08 0.00 0.09 0.00 0.00 178.44 177.91 2pgj n ALA 154 N -2.26 2.99 -1.65 1.53 0.00 -1.05 -4.82 120.51 115.25 2pgj n ALA 154 Ca 0.04 -0.34 -0.48 0.00 0.00 0.00 0.00 53.44 52.65 2pgj n ALA 154 Cb 0.03 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 2pgj n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pgj n ASP 155 N -2.24 2.75 -0.17 0.00 4.64 -0.47 -1.69 116.55 119.37 2pgj n ASP 155 Ca 0.01 1.08 -0.02 0.00 -1.38 0.00 0.00 54.79 54.47 2pgj n ASP 155 Cb 0.49 -1.35 -0.01 0.00 -1.04 0.00 0.00 41.12 39.21 2pgj n ASP 155 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2pgj n ASP 156 N 3.65 -4.94 -4.85 1.67 8.00 -1.26 -5.00 116.55 113.82 2pgj n ASP 156 Ca 0.18 0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.51 2pgj n ASP 156 Cb 0.26 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.12 38.69 2pgj n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pgj s LEU 157 N -0.50 3.91 0.04 0.64 1.43 -0.68 -5.06 118.68 118.47 2pgj s LEU 157 Ca 0.00 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 2pgj s LEU 157 Cb 0.00 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 2pgj s LEU 157 CO 0.00 -0.02 -0.19 -0.89 0.23 0.00 0.00 176.35 175.48 2pgj s THR 158 N -2.04 1.54 -0.03 5.49 2.01 -1.26 -5.00 115.64 116.35 2pgj s THR 158 Ca 0.33 -1.16 -0.23 0.00 0.31 0.00 0.00 61.69 60.93 2pgj s THR 158 Cb -0.08 -1.35 0.05 0.00 0.01 0.00 0.00 72.50 71.13 2pgj s THR 158 CO 0.25 0.15 0.51 -1.66 -0.69 0.00 0.00 174.62 173.18 2pgj s TRP 159 N -0.82 -0.43 0.08 4.92 -2.14 -1.26 -1.60 118.94 117.68 2pgj s TRP 159 Ca 0.06 0.70 -0.26 0.00 2.66 0.00 0.00 56.10 59.26 2pgj s TRP 159 Cb -0.09 0.27 0.08 0.00 -3.10 0.00 0.00 33.47 30.64 2pgj s TRP 159 CO 0.02 -0.52 0.75 0.00 -2.66 0.00 0.00 176.95 174.53 2pgj n GLY 161 N -0.32 5.32 3.17 0.00 0.00 -1.26 -1.11 105.19 110.99 2pgj n GLY 161 Ca -0.13 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.65 2pgj n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pgj s GLU 162 N 1.35 0.91 0.10 1.61 2.02 -1.20 -4.58 118.70 118.91 2pgj s GLU 162 Ca 0.00 -0.88 -0.31 0.00 0.02 0.00 0.00 54.97 53.80 2pgj s GLU 162 Cb 0.00 -0.95 -0.08 0.00 0.10 0.00 0.00 34.13 33.20 2pgj s GLU 162 CO 0.00 0.22 1.51 0.12 0.02 0.00 0.00 175.26 177.13 2pgj s PHE 163 N -1.05 2.93 -2.15 1.61 5.36 -1.25 -3.37 117.98 120.06 2pgj s PHE 163 Ca 0.01 0.68 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 2pgj s PHE 163 Cb -0.09 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2pgj s PHE 163 CO 0.02 -3.05 0.00 -3.47 -1.46 0.00 0.00 175.22 167.26 2pgj n ASP 164 N 4.59 -5.46 -4.33 6.13 2.03 -0.33 -4.96 116.55 114.21 2pgj n ASP 164 Ca 0.13 0.49 -0.17 0.00 0.52 0.00 0.00 54.79 55.76 2pgj n ASP 164 Cb 0.41 -4.75 -0.10 0.00 -0.72 0.00 0.00 41.12 35.96 2pgj n ASP 164 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2pgj s THR 165 N -2.76 1.25 -2.21 5.18 -1.32 -1.22 -5.04 115.64 109.52 2pgj s THR 165 Ca 0.00 -2.07 0.18 0.00 -1.21 0.00 0.00 61.69 58.59 2pgj s THR 165 Cb 0.00 -2.23 0.42 0.00 -1.51 0.00 0.00 72.50 69.18 2pgj s THR 165 CO 0.00 -0.43 1.48 -1.54 -2.21 0.00 0.00 174.62 171.91 2pgj n SER 166 N -0.40 1.73 -4.78 8.08 3.41 -1.26 -2.83 113.62 117.56 2pgj n SER 166 Ca -0.06 -1.78 -0.37 0.00 -0.26 0.00 0.00 58.87 56.39 2pgj n SER 166 Cb 0.63 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 2pgj n SER 166 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2pgj s LYS 167 N -1.72 4.51 0.16 4.33 -0.14 -1.26 -4.76 119.74 120.86 2pgj s LYS 167 Ca 0.30 1.39 -0.26 0.00 -1.36 0.00 0.00 55.97 56.04 2pgj s LYS 167 Cb 0.16 -2.77 -0.08 0.00 -1.68 0.00 0.00 37.83 33.46 2pgj s LYS 167 CO 0.24 0.20 0.82 0.42 -0.76 0.00 0.00 175.35 176.26 2pgj s ILE 168 N -1.60 4.37 -0.58 2.17 1.01 -1.26 -3.22 121.20 122.08 2pgj s ILE 168 Ca 0.51 1.79 -0.21 0.00 0.00 0.00 0.00 60.65 62.75 2pgj s ILE 168 Cb -0.20 -4.19 0.07 0.00 0.01 0.00 0.00 42.46 38.16 2pgj s ILE 168 CO 0.25 0.48 0.79 0.21 0.00 0.00 0.00 174.94 176.68 2pgj s ASN 169 N -0.93 6.21 0.00 3.58 3.84 -0.27 -4.89 114.94 122.48 2pgj s ASN 169 Ca 0.38 -1.03 0.28 0.00 0.21 0.00 0.00 52.86 52.71 2pgj s ASN 169 Cb -0.23 -2.35 1.17 0.00 -0.55 0.00 0.00 41.25 39.29 2pgj s ASN 169 CO 0.27 -1.17 1.81 -1.22 -2.79 0.00 0.00 177.10 174.00 2pgj n TYR 170 N 6.85 0.00 -0.10 0.43 4.02 -1.26 -1.44 117.16 125.66 2pgj n TYR 170 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.63 2pgj n TYR 170 Cb 0.45 -0.07 -0.12 0.00 -0.02 0.00 0.00 39.34 39.58 2pgj n TYR 170 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2pgj n GLN 171 N -0.45 0.66 -3.46 -0.72 6.02 -1.26 -4.15 117.38 114.02 2pgj n GLN 171 Ca 0.17 0.21 -0.14 0.00 -0.01 0.00 0.00 57.00 57.24 2pgj n GLN 171 Cb 0.30 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 2pgj n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2pgj s SER 172 N -6.80 -0.59 0.05 1.08 1.04 -1.26 -3.63 113.70 103.59 2pgj s SER 172 Ca -0.32 0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.36 2pgj s SER 172 Cb 0.09 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.75 2pgj s SER 172 CO 0.62 -0.83 -0.04 0.00 0.98 0.00 0.00 173.24 173.97 2pgj n PRO 174 N 0.52 2.35 -2.95 0.00 -0.02 -1.26 -1.19 135.00 132.45 2pgj n PRO 174 Ca -0.17 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 61.75 2pgj n PRO 174 Cb 0.59 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.48 2pgj n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2pgj s ASP 175 N 0.37 7.16 0.36 2.55 -1.08 -1.26 -4.66 116.67 120.11 2pgj s ASP 175 Ca 0.66 1.40 0.10 0.00 -0.52 0.00 0.00 52.55 54.19 2pgj s ASP 175 Cb -0.57 -2.47 0.86 0.00 -1.46 0.00 0.00 42.92 39.28 2pgj s ASP 175 CO 0.49 -0.08 1.85 -0.25 0.52 0.00 0.00 175.17 177.71 2pgj h TRP 176 N 6.27 0.79 0.03 -5.34 7.01 -1.94 -0.01 115.95 122.76 2pgj h TRP 176 Ca -0.42 0.02 -0.28 0.00 2.11 0.00 0.00 58.89 60.32 2pgj h TRP 176 Cb 1.20 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.98 2pgj h TRP 176 CO 0.65 0.26 -1.55 -2.13 -2.79 0.00 0.00 178.44 172.89 2pgj n ARG 177 N -4.57 0.61 0.07 2.65 0.63 -1.26 -3.51 116.66 111.27 2pgj n ARG 177 Ca 0.18 0.47 -0.07 0.00 -0.92 0.00 0.00 57.85 57.52 2pgj n ARG 177 Cb 0.53 -1.72 -0.11 0.00 0.45 0.00 0.00 32.46 31.61 2pgj n ARG 177 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2pgj h LYS 178 N -0.74 0.02 0.00 -0.14 1.57 -1.97 -3.43 116.57 111.88 2pgj h LYS 178 Ca -0.40 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2pgj h LYS 178 Cb 1.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.83 2pgj h LYS 178 CO -0.16 1.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.47 2pgj n ASP 179 N -3.39 0.00 -3.59 0.86 8.00 -0.05 -4.98 116.55 113.40 2pgj n ASP 179 Ca -0.01 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.34 2pgj n ASP 179 Cb 0.93 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.88 2pgj n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pgj h SER 181 N 4.22 0.00 -0.92 0.00 4.64 -1.84 -3.36 113.55 116.29 2pgj h SER 181 Ca -0.28 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.37 2pgj h SER 181 Cb 1.15 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.13 2pgj h SER 181 CO 0.18 0.47 2.15 0.59 -0.87 0.00 0.00 176.83 179.35 2pgj n ASN 182 N -3.09 7.77 -4.88 4.97 3.02 -1.26 -4.48 115.26 117.31 2pgj n ASN 182 Ca -0.01 -3.04 -0.21 0.00 -0.03 0.00 0.00 54.58 51.28 2pgj n ASN 182 Cb 0.75 -1.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 2pgj n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2pgj s ASN 183 N 0.69 5.59 0.26 6.41 4.22 -1.24 -1.84 114.94 129.04 2pgj s ASN 183 Ca 0.58 -0.30 -0.01 0.00 -2.14 0.00 0.00 52.86 50.99 2pgj s ASN 183 Cb 0.22 -1.27 0.53 0.00 1.28 0.00 0.00 41.25 42.02 2pgj s ASN 183 CO -0.11 -0.22 1.78 -0.65 -2.04 0.00 0.00 177.10 175.86 2pgj h PRO 184 N 1.28 0.67 -0.03 3.55 0.11 -1.82 -0.61 132.00 135.15 2pgj h PRO 184 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2pgj h PRO 184 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2pgj h PRO 184 CO 0.59 0.44 -0.19 0.28 -0.21 0.00 0.00 178.00 178.91 2pgj h VAL 185 N 0.69 1.50 -0.68 3.15 2.07 -1.95 -2.44 116.25 118.58 2pgj h VAL 185 Ca 0.47 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 2pgj h VAL 185 Cb 0.62 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 2pgj h VAL 185 CO -0.34 0.48 0.36 0.28 0.02 0.00 0.00 177.57 178.37 2pgj h SER 186 N -0.43 0.86 -0.36 0.57 0.02 -1.76 -1.91 113.55 110.53 2pgj h SER 186 Ca -0.02 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 2pgj h SER 186 Cb 0.88 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2pgj h SER 186 CO 0.04 0.72 -0.32 0.58 -1.14 0.00 0.00 176.83 176.71 2pgj h VAL 187 N 0.94 1.27 -0.02 2.27 2.07 -1.19 -1.34 116.25 120.25 2pgj h VAL 187 Ca 0.24 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.30 2pgj h VAL 187 Cb 0.06 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2pgj h VAL 187 CO -0.04 0.50 -0.11 0.15 0.02 0.00 0.00 177.57 178.09 2pgj h PHE 188 N 0.75 -0.27 -0.23 1.57 3.57 -1.03 -1.58 116.94 119.72 2pgj h PHE 188 Ca 0.08 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2pgj h PHE 188 Cb 0.89 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2pgj h PHE 188 CO 0.05 -0.16 -0.42 -1.49 -2.23 0.00 0.00 178.31 174.06 2pgj h TRP 189 N -0.17 0.65 -0.79 0.41 4.06 -1.21 -1.17 115.95 117.71 2pgj h TRP 189 Ca 0.05 -0.19 -0.03 0.00 2.06 0.00 0.00 58.89 60.78 2pgj h TRP 189 Cb 0.24 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.22 2pgj h TRP 189 CO -0.18 0.87 0.38 -0.22 -3.56 0.00 0.00 178.44 175.73 2pgj h LYS 190 N 0.44 1.13 -0.01 0.49 3.64 -1.08 -1.52 116.57 119.67 2pgj h LYS 190 Ca 0.04 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2pgj h LYS 190 Cb 0.91 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2pgj h LYS 190 CO 0.08 0.87 -0.01 1.15 -2.27 0.00 0.00 179.45 179.26 2pgj h THR 191 N 1.12 1.45 -0.21 1.00 2.02 -0.80 -2.10 112.91 115.39 2pgj h THR 191 Ca 0.27 -1.35 -0.14 0.00 0.77 0.00 0.00 66.41 65.96 2pgj h THR 191 Cb 0.11 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2pgj h THR 191 CO -0.04 0.35 -0.46 -0.37 0.37 0.00 0.00 175.52 175.38 2pgj h VAL 192 N -0.54 1.31 -0.43 3.16 -1.51 -1.24 -2.20 116.25 114.80 2pgj h VAL 192 Ca 0.00 -1.66 -0.14 0.00 -1.23 0.00 0.00 66.70 63.67 2pgj h VAL 192 Cb 0.58 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 2pgj h VAL 192 CO 0.00 0.52 -0.28 0.28 -1.23 0.00 0.00 177.57 176.86 2pgj h SER 193 N 0.43 0.97 -0.33 4.19 0.02 -1.35 -0.49 113.55 117.00 2pgj h SER 193 Ca 0.03 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2pgj h SER 193 Cb 0.97 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2pgj h SER 193 CO 0.09 1.18 0.17 -0.09 -1.14 0.00 0.00 176.83 177.04 2pgj h ARG 194 N 0.79 0.46 -0.75 3.45 2.43 -1.26 -1.83 114.38 117.67 2pgj h ARG 194 Ca 0.09 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2pgj h ARG 194 Cb 0.85 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2pgj h ARG 194 CO 0.08 0.41 0.32 0.00 -1.51 0.00 0.00 179.97 179.26 2pgj h ARG 195 N 0.40 1.10 -0.37 0.20 3.08 -1.28 -1.96 114.38 115.55 2pgj h ARG 195 Ca 0.11 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2pgj h ARG 195 Cb 0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2pgj h ARG 195 CO -0.02 0.88 0.11 0.35 -1.07 0.00 0.00 179.97 180.22 2pgj h PHE 196 N 1.08 0.61 -0.76 3.04 3.57 -0.93 -2.86 116.94 120.68 2pgj h PHE 196 Ca 0.25 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2pgj h PHE 196 Cb 0.18 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2pgj h PHE 196 CO 0.02 0.58 0.25 0.00 -2.23 0.00 0.00 178.31 176.93 2pgj h ALA 197 N 0.96 1.00 0.00 2.41 0.00 -1.24 -2.87 119.26 119.52 2pgj h ALA 197 Ca 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2pgj h ALA 197 Cb 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pgj h ALA 197 CO -0.00 0.67 -0.04 0.93 0.00 0.00 0.00 179.25 180.81 2pgj h GLU 198 N 1.13 0.00 0.00 0.00 5.08 -1.24 -2.71 114.58 116.85 2pgj h GLU 198 Ca 0.25 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.47 2pgj h GLU 198 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2pgj h GLU 198 CO -0.01 0.04 -0.96 0.00 -1.00 0.00 0.00 179.01 177.07 2pgj h ALA 199 N 1.96 0.64 -3.02 3.43 0.00 -1.28 -3.44 119.26 117.55 2pgj h ALA 199 Ca -0.00 -0.66 -0.55 0.00 0.00 0.00 0.00 54.91 53.70 2pgj h ALA 199 Cb 0.08 0.09 0.16 0.00 0.00 0.00 0.00 17.79 18.12 2pgj h ALA 199 CO 0.00 0.79 0.49 0.00 0.00 0.00 0.00 179.25 180.53 2pgj s ALA 200 N -2.93 2.29 0.25 0.00 0.00 -1.02 -4.74 121.76 115.61 2pgj s ALA 200 Ca 0.01 1.16 -0.10 0.00 0.00 0.00 0.00 51.96 53.02 2pgj s ALA 200 Cb 0.08 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2pgj s ALA 200 CO 0.78 -1.71 0.43 0.00 0.00 0.00 0.00 175.76 175.26 2pgj n ASP 202 N -0.45 0.00 -4.50 0.00 8.00 0.67 -4.10 116.55 116.17 2pgj n ASP 202 Ca -0.01 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.12 2pgj n ASP 202 Cb 0.62 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.61 2pgj n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pgj s VAL 203 N 0.00 4.74 -0.16 2.53 1.01 -1.26 -0.08 120.40 127.19 2pgj s VAL 203 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2pgj s VAL 203 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2pgj s VAL 203 CO 0.00 0.25 0.12 -0.69 0.00 0.00 0.00 175.10 174.77 2pgj s VAL 204 N 1.67 5.29 -0.05 2.92 1.01 -0.07 -4.64 120.40 126.53 2pgj s VAL 204 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2pgj s VAL 204 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2pgj s VAL 204 CO 0.07 0.53 0.03 -1.00 0.00 0.00 0.00 175.10 174.73 2pgj s HIS 205 N -0.27 3.21 -0.05 5.22 3.76 -1.03 -0.78 115.29 125.34 2pgj s HIS 205 Ca 0.10 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 2pgj s HIS 205 Cb -0.12 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.82 2pgj s HIS 205 CO 0.01 0.51 -0.10 0.54 -0.85 0.00 0.00 174.74 174.85 2pgj s VAL 206 N -1.01 0.94 -0.23 -0.90 0.11 -0.23 -0.32 120.40 118.76 2pgj s VAL 206 Ca 0.17 -0.39 -0.14 0.00 -2.93 0.00 0.00 61.98 58.69 2pgj s VAL 206 Cb -0.12 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 2pgj s VAL 206 CO 0.07 0.31 0.31 -0.32 -3.33 0.00 0.00 175.10 172.14 2pgj s MET 207 N 0.59 4.11 0.12 1.54 1.75 -0.19 0.07 119.30 127.29 2pgj s MET 207 Ca -0.11 0.01 0.10 0.00 -1.25 0.00 0.00 55.69 54.44 2pgj s MET 207 Cb -0.14 -3.56 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 2pgj s MET 207 CO 0.02 -0.05 -0.25 -0.51 -0.65 0.00 0.00 175.02 173.58 2pgj s LEU 208 N 1.37 2.31 -0.41 4.11 1.43 -0.59 -1.53 118.68 125.37 2pgj s LEU 208 Ca 0.14 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.28 2pgj s LEU 208 Cb -0.15 -1.13 0.02 0.00 0.03 0.00 0.00 46.19 44.97 2pgj s LEU 208 CO 0.07 0.15 0.80 -0.62 0.23 0.00 0.00 176.35 176.98 2pgj s ASP 209 N -2.00 6.49 0.03 2.29 2.15 -1.23 -1.33 116.67 123.08 2pgj s ASP 209 Ca 0.12 0.15 0.23 0.00 0.43 0.00 0.00 52.55 53.47 2pgj s ASP 209 Cb -0.10 -2.40 0.94 0.00 -0.30 0.00 0.00 42.92 41.07 2pgj s ASP 209 CO 0.05 -0.84 1.72 0.61 -0.17 0.00 0.00 175.17 176.54 2pgj n GLY 210 N 4.76 -1.31 0.63 2.66 0.00 0.83 -2.82 105.19 109.94 2pgj n GLY 210 Ca 0.03 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2pgj n GLY 210 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pgj n SER 211 N -1.61 1.95 -4.85 1.61 3.41 -1.26 -4.76 113.62 108.12 2pgj n SER 211 Ca 0.05 -1.68 -0.32 0.00 -0.26 0.00 0.00 58.87 56.66 2pgj n SER 211 Cb 0.27 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 2pgj n SER 211 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2pgj s ARG 212 N -1.91 4.03 0.28 4.33 1.81 -1.13 -4.99 118.95 121.38 2pgj s ARG 212 Ca 0.35 0.74 0.01 0.00 -1.72 0.00 0.00 55.73 55.11 2pgj s ARG 212 Cb 0.20 -2.38 0.42 0.00 -0.45 0.00 0.00 34.95 32.74 2pgj s ARG 212 CO 0.31 0.11 1.76 0.77 -0.68 0.00 0.00 175.30 177.58 2pgj h SER 213 N 2.14 0.59 -3.93 0.23 0.02 -1.90 -3.29 113.55 107.42 2pgj h SER 213 Ca -0.48 -0.16 -0.72 0.00 -0.84 0.00 0.00 61.79 59.59 2pgj h SER 213 Cb 1.18 -0.16 -0.33 0.00 0.14 0.00 0.00 62.40 63.23 2pgj h SER 213 CO 0.65 0.73 -0.29 -0.54 -1.14 0.00 0.00 176.83 176.24 2pgj s LYS 214 N -4.77 2.72 0.16 3.45 1.02 -1.26 -4.94 119.74 116.12 2pgj s LYS 214 Ca -0.08 -2.38 -0.16 0.00 0.02 0.00 0.00 55.97 53.38 2pgj s LYS 214 Cb 0.14 -3.88 0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2pgj s LYS 214 CO 0.79 -1.19 1.81 0.82 -0.92 0.00 0.00 175.35 176.66 2pgj h ILE 215 N 5.36 1.06 -3.35 2.17 2.04 -1.78 -3.36 117.51 119.65 2pgj h ILE 215 Ca -0.02 -0.18 -0.64 0.00 1.00 0.00 0.00 64.86 65.01 2pgj h ILE 215 Cb 0.99 0.49 -0.23 0.00 -0.74 0.00 0.00 36.82 37.33 2pgj h ILE 215 CO 0.74 0.10 -0.68 0.12 0.00 0.00 0.00 178.15 178.42 2pgj s PHE 216 N -6.16 2.99 -0.28 1.37 5.36 -1.26 -4.39 117.98 115.61 2pgj s PHE 216 Ca -0.13 -0.45 -0.01 0.00 -0.96 0.00 0.00 56.93 55.38 2pgj s PHE 216 Cb 0.11 -1.99 0.05 0.00 -0.34 0.00 0.00 43.02 40.85 2pgj s PHE 216 CO 0.73 -0.16 -0.03 0.34 -1.46 0.00 0.00 175.22 174.63 2pgj s ASP 217 N 0.63 4.72 0.66 6.13 2.15 -1.26 -4.87 116.67 124.84 2pgj s ASP 217 Ca -0.03 -1.22 0.30 0.00 0.43 0.00 0.00 52.55 52.03 2pgj s ASP 217 Cb -0.14 -1.68 1.63 0.00 -0.30 0.00 0.00 42.92 42.42 2pgj s ASP 217 CO 0.02 -0.23 1.92 0.50 -0.17 0.00 0.00 175.17 177.22 2pgj h LYS 218 N 7.97 0.00 -0.02 4.34 3.64 -1.97 -0.82 116.57 129.72 2pgj h LYS 218 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2pgj h LYS 218 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2pgj h LYS 218 CO 0.53 0.00 -0.26 -0.25 -2.27 0.00 0.00 179.45 177.19 2pgj n ASP 219 N -2.92 1.92 -4.85 4.20 8.00 -1.26 -3.21 116.55 118.42 2pgj n ASP 219 Ca -0.02 -1.46 -0.29 0.00 0.71 0.00 0.00 54.79 53.73 2pgj n ASP 219 Cb 0.39 0.23 0.11 0.00 -0.02 0.00 0.00 41.12 41.83 2pgj n ASP 219 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2pgj s SER 220 N -2.32 4.15 0.22 -2.24 1.04 -0.31 -4.74 113.70 109.49 2pgj s SER 220 Ca 0.24 0.83 -0.09 0.00 0.48 0.00 0.00 55.95 57.42 2pgj s SER 220 Cb 0.19 -1.35 0.21 0.00 0.10 0.00 0.00 66.02 65.18 2pgj s SER 220 CO 0.47 -2.13 1.86 0.74 0.98 0.00 0.00 173.24 175.16 2pgj h THR 221 N -1.21 1.11 -0.42 2.02 2.02 -1.92 0.36 112.91 114.87 2pgj h THR 221 Ca -0.47 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 2pgj h THR 221 Cb 1.33 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2pgj h THR 221 CO 0.64 0.17 0.25 0.15 0.37 0.00 0.00 175.52 177.10 2pgj h PHE 222 N 0.93 0.55 0.00 3.16 3.57 -1.90 -0.89 116.94 122.37 2pgj h PHE 222 Ca 0.30 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.67 2pgj h PHE 222 Cb 0.01 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2pgj h PHE 222 CO -0.03 0.40 -0.62 0.78 -2.23 0.00 0.00 178.31 176.60 2pgj h GLY 223 N 0.55 0.00 0.00 2.40 0.00 -1.51 -0.46 103.07 104.05 2pgj h GLY 223 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2pgj h GLY 223 CO -0.03 0.00 -1.36 -1.14 0.00 0.00 0.00 176.54 174.02 2pgj n SER 224 N -3.54 2.14 0.02 0.19 3.41 0.12 -4.64 113.62 111.32 2pgj n SER 224 Ca -0.00 -0.12 -0.01 0.00 -0.26 0.00 0.00 58.87 58.48 2pgj n SER 224 Cb 0.68 1.43 -0.00 0.00 -0.26 0.00 0.00 64.21 66.05 2pgj n SER 224 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pgj n VAL 225 N -1.79 0.74 0.06 -3.33 0.31 -0.42 -4.76 118.33 109.14 2pgj n VAL 225 Ca -0.01 0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 64.42 2pgj n VAL 225 Cb 0.27 -1.57 -0.09 0.00 -0.91 0.00 0.00 33.84 31.54 2pgj n VAL 225 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2pgj h GLU 226 N -0.03 -0.18 -0.28 5.55 5.08 -1.18 -2.97 114.58 120.57 2pgj h GLU 226 Ca -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2pgj h GLU 226 Cb 0.45 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2pgj h GLU 226 CO -0.01 0.24 0.12 -0.24 -1.00 0.00 0.00 179.01 178.13 2pgj h VAL 227 N -0.68 1.11 0.00 3.13 3.04 -1.34 -1.30 116.25 120.21 2pgj h VAL 227 Ca -0.02 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2pgj h VAL 227 Cb 0.51 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2pgj h VAL 227 CO 0.03 0.13 0.00 1.41 -1.01 0.00 0.00 177.57 178.13 2pgj n HIS 228 N -4.43 0.00 0.06 3.17 8.25 -1.21 -3.37 115.22 117.68 2pgj n HIS 228 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.50 2pgj n HIS 228 Cb 0.12 -0.35 0.06 0.00 1.12 0.00 0.00 29.99 30.94 2pgj n HIS 228 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2pgj n ASN 229 N -1.35 2.11 -4.69 0.41 3.02 -0.51 -4.98 115.26 109.27 2pgj n ASN 229 Ca 0.12 -1.68 -0.42 0.00 -0.03 0.00 0.00 54.58 52.56 2pgj n ASN 229 Cb 0.27 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 2pgj n ASN 229 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pgj s LEU 230 N -0.80 4.32 -0.28 3.41 1.43 -1.07 -3.55 118.68 122.15 2pgj s LEU 230 Ca 0.11 2.17 -0.21 0.00 -1.03 0.00 0.00 54.13 55.17 2pgj s LEU 230 Cb 0.06 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 2pgj s LEU 230 CO 0.09 -0.74 0.67 -1.10 0.23 0.00 0.00 176.35 175.50 2pgj s GLN 231 N 2.41 4.02 0.58 1.70 -1.52 -1.26 -4.95 119.66 120.65 2pgj s GLN 231 Ca 0.65 0.51 0.28 0.00 -1.95 0.00 0.00 55.36 54.86 2pgj s GLN 231 Cb -0.33 -3.69 1.59 0.00 -0.22 0.00 0.00 33.01 30.37 2pgj s GLN 231 CO 0.27 -0.52 2.05 -1.35 -0.25 0.00 0.00 175.29 175.49 2pgj h PRO 232 N 8.01 0.00 0.00 2.91 0.11 -1.80 0.50 132.00 141.73 2pgj h PRO 232 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 2pgj h PRO 232 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2pgj h PRO 232 CO 0.81 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 179.51 2pgj h GLU 233 N 0.00 0.00 0.00 1.05 3.07 -1.94 -3.35 114.58 113.42 2pgj h GLU 233 Ca 0.12 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.87 2pgj h GLU 233 Cb 0.67 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 2pgj h GLU 233 CO -0.00 0.02 -1.43 1.63 -1.40 0.00 0.00 179.01 177.83 2pgj n LYS 234 N -3.11 0.41 -3.46 2.33 5.02 -0.52 -5.00 118.16 113.83 2pgj n LYS 234 Ca 0.02 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 2pgj n LYS 234 Cb 0.41 -1.15 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 2pgj n LYS 234 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pgj s VAL 235 N -2.15 5.22 -0.10 -0.18 1.01 0.16 -0.24 120.40 124.13 2pgj s VAL 235 Ca -0.10 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.29 2pgj s VAL 235 Cb 0.03 -3.64 -0.26 0.00 0.00 0.00 0.00 36.38 32.50 2pgj s VAL 235 CO 0.18 0.19 0.46 1.56 0.00 0.00 0.00 175.10 177.49 2pgj h GLN 236 N 8.18 0.24 -3.06 2.72 4.20 -0.77 -3.41 115.11 123.21 2pgj h GLN 236 Ca -0.33 -0.41 -0.16 0.00 0.06 0.00 0.00 58.65 57.81 2pgj h GLN 236 Cb 1.17 0.15 -0.26 0.00 0.30 0.00 0.00 27.48 28.84 2pgj h GLN 236 CO 0.62 1.11 -0.41 0.99 -0.67 0.00 0.00 178.83 180.47 2pgj s THR 237 N -2.57 -0.01 -0.24 -0.54 2.01 -0.94 -1.46 115.64 111.90 2pgj s THR 237 Ca -0.19 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.77 2pgj s THR 237 Cb 0.07 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 2pgj s THR 237 CO 0.79 0.01 0.06 -0.22 -0.69 0.00 0.00 174.62 174.57 2pgj s LEU 238 N 0.36 3.48 -0.26 4.42 2.96 -0.08 -0.89 118.68 128.66 2pgj s LEU 238 Ca -0.02 -0.17 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 2pgj s LEU 238 Cb -0.03 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.74 2pgj s LEU 238 CO -0.01 0.00 0.01 -0.70 -1.32 0.00 0.00 176.35 174.33 2pgj s GLU 239 N 1.39 3.09 0.06 1.98 2.12 0.04 -1.20 118.70 126.17 2pgj s GLU 239 Ca 0.05 -0.84 -0.20 0.00 0.36 0.00 0.00 54.97 54.34 2pgj s GLU 239 Cb -0.15 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 2pgj s GLU 239 CO 0.03 -0.37 0.60 0.00 -0.54 0.00 0.00 175.26 174.98 2pgj s ALA 240 N 1.44 3.55 -0.35 6.30 0.00 0.04 -1.06 121.76 131.68 2pgj s ALA 240 Ca 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 2pgj s ALA 240 Cb -0.16 -2.70 0.07 0.00 0.00 0.00 0.00 23.12 20.33 2pgj s ALA 240 CO -0.01 0.32 0.09 -1.58 0.00 0.00 0.00 175.76 174.58 2pgj s TRP 241 N -0.84 3.38 -0.45 0.00 0.51 0.11 -0.30 118.94 121.36 2pgj s TRP 241 Ca 0.30 -2.00 -0.20 0.00 -2.12 0.00 0.00 56.10 52.08 2pgj s TRP 241 Cb -0.19 -2.55 0.03 0.00 -0.81 0.00 0.00 33.47 29.95 2pgj s TRP 241 CO 0.19 -0.85 0.64 0.08 -0.51 0.00 0.00 176.95 176.50 2pgj s VAL 242 N 1.24 4.83 -0.18 4.03 1.01 0.39 -1.54 120.40 130.17 2pgj s VAL 242 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 2pgj s VAL 242 Cb -0.21 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 2pgj s VAL 242 CO -0.02 -0.64 0.97 -0.63 0.00 0.00 0.00 175.10 174.79 2pgj s ILE 243 N 2.81 4.77 0.40 2.22 -1.09 -0.44 -1.36 121.20 128.50 2pgj s ILE 243 Ca 0.21 1.92 -0.24 0.00 -2.23 0.00 0.00 60.65 60.32 2pgj s ILE 243 Cb -0.15 -4.26 -0.09 0.00 -1.58 0.00 0.00 42.46 36.38 2pgj s ILE 243 CO 0.18 -0.07 1.05 -1.00 -1.23 0.00 0.00 174.94 173.87 2pgj s HIS 244 N 2.58 3.25 -0.32 3.97 3.76 -0.36 -0.12 115.29 128.05 2pgj s HIS 244 Ca 0.44 1.64 0.04 0.00 -0.15 0.00 0.00 55.06 57.02 2pgj s HIS 244 Cb -0.16 -3.13 0.17 0.00 1.11 0.00 0.00 32.58 30.57 2pgj s HIS 244 CO 0.11 -0.64 0.48 0.20 -0.85 0.00 0.00 174.74 174.04 2pgj s GLY 245 N -1.57 -0.75 0.00 -2.22 0.00 -1.26 -4.71 107.32 96.81 2pgj s GLY 245 Ca 0.58 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.50 2pgj s GLY 245 CO 0.27 3.23 0.00 0.61 0.00 0.00 0.00 173.10 177.22 2pgj n GLY 246 N 5.04 1.43 0.00 0.20 0.00 -1.26 -4.47 105.19 106.12 2pgj n GLY 246 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2pgj n GLY 246 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pgj n ARG 247 N 0.00 3.40 -0.12 1.61 3.00 -1.26 -5.06 116.66 118.24 2pgj n ARG 247 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.85 57.63 2pgj n ARG 247 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 2pgj n ARG 247 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2pgj n GLU 248 N 0.00 0.56 -2.92 -0.14 1.02 -1.26 -4.90 120.64 112.99 2pgj n GLU 248 Ca 0.00 0.35 -0.40 0.00 -0.02 0.00 0.00 57.16 57.09 2pgj n GLU 248 Cb 0.00 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 2pgj n GLU 248 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pgj s ASP 249 N -6.93 7.21 0.28 1.62 1.01 -1.26 -4.98 116.67 113.62 2pgj s ASP 249 Ca -0.33 1.45 -0.08 0.00 0.71 0.00 0.00 52.55 54.30 2pgj s ASP 249 Cb 0.10 -2.48 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 2pgj s ASP 249 CO 0.48 -0.08 0.45 -0.44 0.21 0.00 0.00 175.17 175.79 2pgj s SER 250 N 0.39 0.28 0.77 0.27 0.01 -1.26 -5.09 113.70 109.07 2pgj s SER 250 Ca 0.42 -1.18 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 2pgj s SER 250 Cb -0.20 0.60 0.06 0.00 0.21 0.00 0.00 66.02 66.68 2pgj s SER 250 CO 0.23 -1.18 1.09 -0.13 0.41 0.00 0.00 173.24 173.66 2pgj s ARG 251 N -3.65 2.28 -0.81 12.44 0.52 -1.26 -4.96 118.95 123.51 2pgj s ARG 251 Ca 0.27 0.72 -0.25 0.00 -0.52 0.00 0.00 55.73 55.94 2pgj s ARG 251 Cb 0.00 -1.93 0.01 0.00 0.52 0.00 0.00 34.95 33.55 2pgj s ARG 251 CO 0.13 -1.51 1.59 0.34 0.02 0.00 0.00 175.30 175.87 2pgj s ASP 252 N -3.87 5.84 0.00 0.23 2.15 -1.26 -4.84 116.67 114.92 2pgj s ASP 252 Ca 0.60 -0.55 0.18 0.00 0.43 0.00 0.00 52.55 53.22 2pgj s ASP 252 Cb -0.14 -2.56 0.79 0.00 -0.30 0.00 0.00 42.92 40.71 2pgj s ASP 252 CO 0.54 -2.06 1.59 0.18 -0.17 0.00 0.00 175.17 175.26 2pgj n LEU 253 N 10.93 0.00 0.12 -1.34 4.77 -1.26 -1.83 117.00 128.39 2pgj n LEU 253 Ca 0.22 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.81 2pgj n LEU 253 Cb 0.50 -0.50 0.48 0.00 -2.33 0.00 0.00 43.42 41.57 2pgj n LEU 253 CO 0.68 -0.18 0.84 0.00 -1.33 0.00 0.00 177.39 177.39 2pgj n GLN 255 N -2.17 1.45 -1.70 0.00 1.13 -0.76 -4.57 117.38 110.77 2pgj n GLN 255 Ca 0.02 -1.01 -0.44 0.00 -1.94 0.00 0.00 57.00 53.63 2pgj n GLN 255 Cb 0.21 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 2pgj n GLN 255 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2pgj n ASP 256 N 0.11 3.19 -0.08 1.08 -0.08 -0.89 -4.78 116.55 115.10 2pgj n ASP 256 Ca 0.14 1.14 0.16 0.00 -1.51 0.00 0.00 54.79 54.73 2pgj n ASP 256 Cb 0.42 -1.49 0.57 0.00 2.34 0.00 0.00 41.12 42.96 2pgj n ASP 256 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2pgj h PRO 257 N 4.45 0.25 -0.02 -0.67 0.13 -1.92 0.11 132.00 134.33 2pgj h PRO 257 Ca -0.46 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 2pgj h PRO 257 Cb 1.26 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2pgj h PRO 257 CO 0.77 0.17 -0.54 1.79 -0.23 0.00 0.00 178.00 179.96 2pgj h THR 258 N 0.26 1.38 -0.11 1.56 1.35 -1.90 -0.99 112.91 114.47 2pgj h THR 258 Ca 0.30 -1.84 -0.17 0.00 -0.55 0.00 0.00 66.41 64.15 2pgj h THR 258 Cb 0.83 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 2pgj h THR 258 CO -0.07 0.53 -0.66 0.40 -0.25 0.00 0.00 175.52 175.47 2pgj h ILE 259 N 0.04 1.36 -0.10 6.82 1.08 -1.19 -1.74 117.51 123.78 2pgj h ILE 259 Ca -0.00 -2.02 -0.07 0.00 -0.39 0.00 0.00 64.86 62.38 2pgj h ILE 259 Cb 0.96 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 2pgj h ILE 259 CO 0.07 0.61 -0.27 0.11 -0.69 0.00 0.00 178.15 177.98 2pgj h LYS 260 N 0.31 0.18 -0.43 2.37 1.79 -0.79 -0.63 116.57 119.37 2pgj h LYS 260 Ca -0.02 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.26 2pgj h LYS 260 Cb 1.22 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2pgj h LYS 260 CO 0.12 0.45 -0.24 1.49 -1.08 0.00 0.00 179.45 180.18 2pgj h GLU 261 N 0.17 0.92 -0.19 3.15 4.81 -1.03 -1.96 114.58 120.45 2pgj h GLU 261 Ca 0.03 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2pgj h GLU 261 Cb 0.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2pgj h GLU 261 CO 0.04 1.07 0.09 1.25 -0.73 0.00 0.00 179.01 180.73 2pgj h LEU 262 N 0.75 0.24 -0.89 1.64 5.85 -0.86 -1.01 115.31 121.03 2pgj h LEU 262 Ca 0.09 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2pgj h LEU 262 Cb 0.82 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 2pgj h LEU 262 CO 0.07 0.30 0.55 -0.08 -0.34 0.00 0.00 178.44 178.94 2pgj h GLU 263 N 0.17 0.95 -0.84 1.25 4.81 -1.14 -2.07 114.58 117.71 2pgj h GLU 263 Ca 0.06 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2pgj h GLU 263 Cb 0.12 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2pgj h GLU 263 CO -0.01 0.63 0.44 1.03 -0.73 0.00 0.00 179.01 180.37 2pgj h SER 264 N 0.98 1.07 -0.13 1.04 0.87 -0.94 -2.05 113.55 114.39 2pgj h SER 264 Ca 0.40 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 2pgj h SER 264 Cb 0.24 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2pgj h SER 264 CO -0.20 0.88 -0.01 0.40 -0.53 0.00 0.00 176.83 177.37 2pgj h ILE 265 N 1.18 1.27 0.00 2.23 2.04 -0.51 -3.02 117.51 120.70 2pgj h ILE 265 Ca 0.29 -0.88 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 2pgj h ILE 265 Cb 0.07 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2pgj h ILE 265 CO -0.04 0.26 -0.40 0.16 0.00 0.00 0.00 178.15 178.12 2pgj h ILE 266 N -0.05 0.69 -0.64 -0.67 3.07 -1.45 -2.99 117.51 115.47 2pgj h ILE 266 Ca 0.03 -1.96 -0.05 0.00 1.55 0.00 0.00 64.86 64.44 2pgj h ILE 266 Cb 0.40 2.32 -0.03 0.00 -0.27 0.00 0.00 36.82 39.25 2pgj h ILE 266 CO 0.01 0.39 0.20 0.28 -1.05 0.00 0.00 178.15 177.98 2pgj h SER 267 N 0.00 0.90 0.93 2.16 0.02 -1.42 -0.95 113.55 115.19 2pgj h SER 267 Ca -0.00 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 2pgj h SER 267 Cb 1.29 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2pgj h SER 267 CO 0.05 0.84 -0.13 0.11 -1.14 0.00 0.00 176.83 176.56 2pgj h LYS 268 N 0.94 0.00 -0.16 3.45 1.57 -1.39 -1.72 116.57 119.25 2pgj h LYS 268 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2pgj h LYS 268 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pgj h LYS 268 CO -0.01 0.13 0.00 0.54 -0.57 0.00 0.00 179.45 179.55 2pgj n ARG 269 N -3.30 1.54 -2.79 3.15 5.12 -0.89 -4.92 116.66 114.58 2pgj n ARG 269 Ca 0.00 -0.83 -0.13 0.00 -1.93 0.00 0.00 57.85 54.97 2pgj n ARG 269 Cb 0.37 -1.31 0.03 0.00 -1.16 0.00 0.00 32.46 30.39 2pgj n ARG 269 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2pgj n ASN 270 N 0.08 -4.25 -4.27 0.55 3.02 -0.65 -4.54 115.26 105.21 2pgj n ASN 270 Ca 0.13 -0.20 -0.31 0.00 -0.03 0.00 0.00 54.58 54.18 2pgj n ASN 270 Cb 0.24 -3.06 -0.16 0.00 -0.61 0.00 0.00 39.78 36.19 2pgj n ASN 270 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pgj s ILE 271 N -2.96 1.97 0.46 2.41 1.01 -0.41 -4.92 121.20 118.76 2pgj s ILE 271 Ca 0.21 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 2pgj s ILE 271 Cb -0.09 -1.65 -0.07 0.00 0.01 0.00 0.00 42.46 40.65 2pgj s ILE 271 CO 0.26 0.55 1.19 -1.10 0.00 0.00 0.00 174.94 175.84 2pgj s GLN 272 N -0.35 3.76 -0.13 2.79 -0.21 -0.54 -3.57 119.66 121.42 2pgj s GLN 272 Ca 0.03 1.84 0.02 0.00 0.02 0.00 0.00 55.36 57.27 2pgj s GLN 272 Cb -0.12 -2.45 0.00 0.00 1.00 0.00 0.00 33.01 31.45 2pgj s GLN 272 CO 0.01 -0.57 -0.20 0.12 -2.12 0.00 0.00 175.29 172.53 2pgj s PHE 273 N -1.49 2.68 0.14 0.91 5.36 -1.26 -0.90 117.98 123.41 2pgj s PHE 273 Ca 0.63 -1.07 0.10 0.00 -0.96 0.00 0.00 56.93 55.63 2pgj s PHE 273 Cb -0.30 -1.80 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 2pgj s PHE 273 CO 0.37 -0.46 -0.24 0.45 -1.46 0.00 0.00 175.22 173.89 2pgj s SER 274 N 0.58 3.09 -0.02 6.13 0.15 -0.34 -4.99 113.70 118.30 2pgj s SER 274 Ca -0.11 -0.78 -0.01 0.00 0.70 0.00 0.00 55.95 55.75 2pgj s SER 274 Cb -0.16 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 63.95 2pgj s SER 274 CO 0.03 0.11 0.05 0.00 1.20 0.00 0.00 173.24 174.63 2pgj s LYS 276 N 0.21 1.31 -0.11 0.00 -0.14 0.59 -4.95 119.74 116.65 2pgj s LYS 276 Ca -0.02 -0.49 -0.22 0.00 -1.36 0.00 0.00 55.97 53.89 2pgj s LYS 276 Cb -0.02 -1.20 -0.04 0.00 -1.68 0.00 0.00 37.83 34.89 2pgj s LYS 276 CO -0.01 0.24 0.63 -0.80 -0.76 0.00 0.00 175.35 174.65 2pgj s ASN 277 N -0.07 6.85 -0.57 2.83 0.01 -1.26 -0.46 114.94 122.26 2pgj s ASN 277 Ca 0.00 1.02 -0.09 0.00 -0.71 0.00 0.00 52.86 53.09 2pgj s ASN 277 Cb -0.08 -2.37 0.15 0.00 0.41 0.00 0.00 41.25 39.36 2pgj s ASN 277 CO 0.01 -0.12 0.44 -0.63 -1.51 0.00 0.00 177.10 175.28 2pgj s ILE 278 N 1.01 4.33 0.23 0.60 1.01 -0.47 -4.92 121.20 123.00 2pgj s ILE 278 Ca 0.33 -2.18 0.08 0.00 0.00 0.00 0.00 60.65 58.88 2pgj s ILE 278 Cb -0.17 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 2pgj s ILE 278 CO 0.14 -0.84 1.53 1.88 0.00 0.00 0.00 174.94 177.65 2pgj h TYR 279 N 8.01 0.08 -2.94 3.97 0.05 -1.93 -0.95 116.97 123.26 2pgj h TYR 279 Ca -0.11 -0.04 -0.61 0.00 0.05 0.00 0.00 58.73 58.02 2pgj h TYR 279 Cb 1.04 -0.01 -0.40 0.00 1.01 0.00 0.00 36.73 38.36 2pgj h TYR 279 CO 0.72 0.73 -0.72 1.03 -1.05 0.00 0.00 178.16 178.88 2pgj s ARG 280 N -3.47 1.69 0.38 4.88 0.52 -1.26 -4.68 118.95 117.00 2pgj s ARG 280 Ca -0.02 -2.55 0.16 0.00 -0.52 0.00 0.00 55.73 52.80 2pgj s ARG 280 Cb 0.12 -2.63 1.03 0.00 0.52 0.00 0.00 34.95 33.99 2pgj s ARG 280 CO 0.78 -1.24 1.77 -1.00 0.02 0.00 0.00 175.30 175.63 2pgj h PRO 281 N 6.03 0.45 0.55 3.54 0.13 -1.84 0.31 132.00 141.16 2pgj h PRO 281 Ca 0.09 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 2pgj h PRO 281 Cb 0.86 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 2pgj h PRO 281 CO 0.56 0.30 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.75 2pgj h ASP 282 N 0.46 -1.17 -0.69 1.44 3.32 -1.97 -1.67 116.42 116.15 2pgj h ASP 282 Ca 0.59 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.68 2pgj h ASP 282 Cb 1.38 0.37 -0.03 0.00 0.22 0.00 0.00 39.33 41.27 2pgj h ASP 282 CO -0.32 -0.63 0.26 0.11 -1.72 0.00 0.00 179.24 176.93 2pgj h LYS 283 N -0.97 1.05 -0.17 3.56 1.57 -1.70 -2.78 116.57 117.13 2pgj h LYS 283 Ca -0.06 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2pgj h LYS 283 Cb 0.82 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 2pgj h LYS 283 CO -0.00 0.88 -0.39 0.35 -0.57 0.00 0.00 179.45 179.71 2pgj h PHE 284 N 0.99 -1.12 -0.94 -1.35 3.57 -0.28 0.24 116.94 118.05 2pgj h PHE 284 Ca 0.23 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.85 2pgj h PHE 284 Cb 0.24 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 39.43 2pgj h PHE 284 CO 0.02 -0.45 0.61 -0.07 -2.23 0.00 0.00 178.31 176.19 2pgj h LEU 285 N -0.44 0.94 -0.66 0.59 -0.00 -1.25 -0.25 115.31 114.24 2pgj h LEU 285 Ca 0.09 0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.90 2pgj h LEU 285 Cb 0.60 -0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.04 2pgj h LEU 285 CO -0.41 0.59 0.07 -0.61 -0.00 0.00 0.00 178.44 178.08 2pgj h GLN 286 N 1.06 1.11 -0.47 1.13 5.75 -0.98 -1.64 115.11 121.07 2pgj h GLN 286 Ca 0.41 -0.32 -0.11 0.00 -0.15 0.00 0.00 58.65 58.48 2pgj h GLN 286 Cb 0.22 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2pgj h GLN 286 CO -0.16 1.04 -0.15 0.00 -2.65 0.00 0.00 178.83 176.90 2pgj h VAL 288 N 0.80 1.26 0.00 0.00 2.07 -0.96 -2.91 116.25 116.51 2pgj h VAL 288 Ca 0.12 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 2pgj h VAL 288 Cb 0.69 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2pgj h VAL 288 CO 0.05 0.41 -0.30 0.11 0.02 0.00 0.00 177.57 177.86 2pgj h LYS 289 N 0.59 0.00 -6.38 1.57 1.57 -1.11 -3.46 116.57 109.35 2pgj h LYS 289 Ca 0.09 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.26 2pgj h LYS 289 Cb 0.64 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.81 2pgj h LYS 289 CO 0.05 0.30 -0.75 -0.80 -0.57 0.00 0.00 179.45 177.68 2pgj s ASN 290 N -6.32 3.89 -0.19 0.86 0.01 -0.72 -5.04 114.94 107.43 2pgj s ASN 290 Ca 0.00 -0.80 -0.25 0.00 -0.71 0.00 0.00 52.86 51.11 2pgj s ASN 290 Cb 0.10 -0.49 -0.28 0.00 0.41 0.00 0.00 41.25 40.99 2pgj s ASN 290 CO 0.66 0.07 1.61 -0.81 -1.51 0.00 0.00 177.10 177.12 2pgj n PRO 291 N -0.25 0.39 -0.44 -0.60 -0.04 -1.26 -4.80 135.00 127.99 2pgj n PRO 291 Ca -0.09 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 2pgj n PRO 291 Cb 0.58 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 2pgj n PRO 291 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2pgj n GLU 292 N 7.30 0.00 0.00 0.54 1.02 -1.26 -4.69 120.64 123.55 2pgj n GLU 292 Ca 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2pgj n GLU 292 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2pgj n GLU 292 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2pgj n ASP 293 N 0.61 0.00 -3.97 1.62 2.03 -1.26 -5.00 116.55 110.59 2pgj n ASP 293 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2pgj n ASP 293 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2pgj n ASP 293 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2pgj n SER 294 N -1.04 3.24 -4.17 1.67 3.41 -1.26 -4.39 113.62 111.08 2pgj n SER 294 Ca 0.00 -2.75 -0.35 0.00 -0.26 0.00 0.00 58.87 55.52 2pgj n SER 294 Cb 0.00 -1.45 -0.02 0.00 -0.26 0.00 0.00 64.21 62.48 2pgj n SER 294 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2pgj n SER 295 N 8.78 -2.97 -0.52 4.04 3.41 -1.26 -5.03 113.62 120.07 2pgj n SER 295 Ca 0.49 -1.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.24 2pgj n SER 295 Cb 0.42 -2.85 0.49 0.00 -0.26 0.00 0.00 64.21 62.01 2pgj n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88