#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnj n GLU 2 N 0.00 0.70 -0.27 1.61 1.02 -1.26 -4.84 120.64 117.60 1nnj n GLU 2 Ca 0.00 -2.61 0.08 0.00 -0.02 0.00 0.00 57.16 54.61 1nnj n GLU 2 Cb 0.00 -0.10 0.20 0.00 -0.02 0.00 0.00 31.44 31.52 1nnj n GLU 2 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nnj h LEU 3 N 0.00 -0.22 -0.75 -4.62 6.46 -1.67 -1.76 115.31 112.76 1nnj h LEU 3 Ca -0.23 0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1nnj h LEU 3 Cb 1.03 0.31 -0.05 0.00 -0.73 0.00 0.00 40.66 41.22 1nnj h LEU 3 CO 0.34 -0.16 0.47 -0.65 -0.62 0.00 0.00 178.44 177.82 1nnj h PRO 4 N 0.15 0.90 -0.44 5.25 0.11 -1.87 0.43 132.00 136.52 1nnj h PRO 4 Ca 0.46 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.38 1nnj h PRO 4 Cb 0.84 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1nnj h PRO 4 CO -0.65 0.60 -0.23 0.93 -0.21 0.00 0.00 178.00 178.43 1nnj h GLU 5 N 0.93 0.94 -0.51 1.05 3.07 -1.68 -1.85 114.58 116.52 1nnj h GLU 5 Ca 0.30 -0.42 -0.09 0.00 -0.50 0.00 0.00 59.36 58.65 1nnj h GLU 5 Cb 0.01 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1nnj h GLU 5 CO -0.11 1.08 -0.04 0.28 -1.40 0.00 0.00 179.01 178.82 1nnj h VAL 6 N 0.78 1.27 -0.58 3.13 2.07 -1.06 -1.83 116.25 120.03 1nnj h VAL 6 Ca 0.10 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1nnj h VAL 6 Cb 0.81 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1nnj h VAL 6 CO 0.07 0.41 0.15 -0.08 0.02 0.00 0.00 177.57 178.13 1nnj h GLU 7 N 0.80 0.89 -0.49 1.57 4.57 -0.84 0.53 114.58 121.60 1nnj h GLU 7 Ca 0.14 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1nnj h GLU 7 Cb 0.58 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1nnj h GLU 7 CO 0.03 0.79 0.22 1.15 -1.18 0.00 0.00 179.01 180.03 1nnj h THR 8 N 0.86 1.20 -0.47 0.32 2.02 -1.05 -0.37 112.91 115.41 1nnj h THR 8 Ca 0.19 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1nnj h THR 8 Cb 0.30 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1nnj h THR 8 CO -0.00 0.23 0.18 0.58 0.37 0.00 0.00 175.52 176.87 1nnj h VAL 9 N 0.66 1.21 -0.49 3.16 2.07 -0.87 -2.04 116.25 119.94 1nnj h VAL 9 Ca 0.17 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.09 1nnj h VAL 9 Cb 0.15 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1nnj h VAL 9 CO -0.02 0.25 0.19 -0.09 0.02 0.00 0.00 177.57 177.92 1nnj h ARG 10 N 0.62 0.37 -0.51 1.57 2.43 -0.48 -0.82 114.38 117.56 1nnj h ARG 10 Ca 0.16 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1nnj h ARG 10 Cb 0.21 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1nnj h ARG 10 CO -0.01 0.24 0.24 0.00 -1.51 0.00 0.00 179.97 178.93 1nnj h ARG 11 N 0.38 0.75 -0.62 0.20 3.08 -0.83 -0.00 114.38 117.33 1nnj h ARG 11 Ca 0.23 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1nnj h ARG 11 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1nnj h ARG 11 CO -0.22 0.63 0.02 0.93 -1.07 0.00 0.00 179.97 180.26 1nnj h GLU 12 N 0.68 1.08 -0.61 0.04 5.08 -1.00 -2.11 114.58 117.74 1nnj h GLU 12 Ca 0.17 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1nnj h GLU 12 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1nnj h GLU 12 CO -0.02 1.04 0.02 -0.07 -1.00 0.00 0.00 179.01 178.98 1nnj h LEU 13 N 0.99 1.04 -0.76 1.33 3.38 -0.96 -1.83 115.31 118.50 1nnj h LEU 13 Ca 0.18 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1nnj h LEU 13 Cb 0.54 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1nnj h LEU 13 CO 0.03 1.08 0.48 -0.08 0.09 0.00 0.00 178.44 180.04 1nnj h GLU 14 N 0.97 1.01 0.00 1.13 4.81 -0.78 0.99 114.58 122.71 1nnj h GLU 14 Ca 0.18 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 1nnj h GLU 14 Cb 0.54 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1nnj h GLU 14 CO 0.03 0.69 -0.46 0.87 -0.73 0.00 0.00 179.01 179.41 1nnj h LYS 15 N 1.03 0.00 0.00 1.92 1.79 -1.20 -3.34 116.57 116.76 1nnj h LYS 15 Ca 0.27 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.48 1nnj h LYS 15 Cb -0.08 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 1nnj h LYS 15 CO -0.06 0.46 -1.99 0.54 -1.08 0.00 0.00 179.45 177.33 1nnj n ARG 16 N -3.62 1.48 0.00 3.15 1.74 -0.70 -4.80 116.66 113.91 1nnj n ARG 16 Ca -0.01 0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.14 1nnj n ARG 16 Cb 0.55 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 1nnj n ARG 16 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1nnj n ILE 17 N -2.61 0.00 -1.92 0.55 -5.35 0.30 -4.94 119.36 105.39 1nnj n ILE 17 Ca -0.25 -0.31 -0.42 0.00 -0.27 0.00 0.00 62.75 61.50 1nnj n ILE 17 Cb 0.94 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.88 1nnj n ILE 17 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1nnj s VAL 18 N -1.76 2.56 0.00 7.28 1.01 -1.25 -1.61 120.40 126.64 1nnj s VAL 18 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1nnj s VAL 18 Cb 0.08 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1nnj s VAL 18 CO 0.37 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1nnj n GLY 19 N 3.60 0.37 3.73 4.51 0.00 0.99 -5.01 105.19 113.38 1nnj n GLY 19 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1nnj n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nnj s GLN 20 N -0.90 4.53 -0.08 1.61 -1.52 -0.63 -4.79 119.66 117.87 1nnj s GLN 20 Ca 0.00 1.15 -0.21 0.00 -1.95 0.00 0.00 55.36 54.35 1nnj s GLN 20 Cb 0.00 -3.39 -0.04 0.00 -0.22 0.00 0.00 33.01 29.36 1nnj s GLN 20 CO 0.00 0.19 0.58 0.21 -0.25 0.00 0.00 175.29 176.02 1nnj s LYS 21 N 0.25 4.38 -0.23 2.91 2.20 -1.26 -1.48 119.74 126.51 1nnj s LYS 21 Ca 0.42 0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 56.39 1nnj s LYS 21 Cb -0.21 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1nnj s LYS 21 CO 0.24 0.14 1.32 0.42 -0.36 0.00 0.00 175.35 177.11 1nnj s ILE 22 N 0.60 4.16 -0.07 5.43 1.01 0.58 -4.40 121.20 128.52 1nnj s ILE 22 Ca 0.31 1.35 -0.17 0.00 0.00 0.00 0.00 60.65 62.14 1nnj s ILE 22 Cb -0.17 -4.03 -0.30 0.00 0.01 0.00 0.00 42.46 37.98 1nnj s ILE 22 CO 0.14 -0.30 0.72 0.40 0.00 0.00 0.00 174.94 175.90 1nnj h ILE 23 N 5.75 1.19 -2.69 2.92 1.08 -0.66 0.21 117.51 125.32 1nnj h ILE 23 Ca -0.27 -2.49 -0.03 0.00 -0.39 0.00 0.00 64.86 61.68 1nnj h ILE 23 Cb 1.11 2.90 -0.14 0.00 -3.07 0.00 0.00 36.82 37.62 1nnj h ILE 23 CO 1.00 0.73 0.21 -0.94 -0.69 0.00 0.00 178.15 178.46 1nnj s SER 24 N -7.10 -0.59 -0.06 1.72 1.04 -1.14 -4.56 113.70 103.01 1nnj s SER 24 Ca -0.16 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.51 1nnj s SER 24 Cb 0.03 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1nnj s SER 24 CO 0.81 -0.86 -0.12 -0.63 0.98 0.00 0.00 173.24 173.43 1nnj s ILE 25 N -2.96 1.08 0.13 -1.02 1.01 -1.26 0.03 121.20 118.21 1nnj s ILE 25 Ca -0.03 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1nnj s ILE 25 Cb -0.01 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1nnj s ILE 25 CO -0.06 0.34 -0.16 -1.61 0.00 0.00 0.00 174.94 173.45 1nnj s GLU 26 N 0.57 1.10 -0.08 2.79 2.02 -0.55 -4.98 118.70 119.57 1nnj s GLU 26 Ca -0.12 -1.26 -0.07 0.00 0.02 0.00 0.00 54.97 53.55 1nnj s GLU 26 Cb -0.15 -1.09 0.03 0.00 0.10 0.00 0.00 34.13 33.02 1nnj s GLU 26 CO 0.03 0.22 0.21 0.00 0.02 0.00 0.00 175.26 175.75 1nnj s ALA 27 N -1.91 -0.51 -0.42 5.21 0.00 -1.26 -1.40 121.76 121.46 1nnj s ALA 27 Ca 0.10 0.70 0.15 0.00 0.00 0.00 0.00 51.96 52.91 1nnj s ALA 27 Cb -0.06 -0.42 -0.19 0.00 0.00 0.00 0.00 23.12 22.44 1nnj s ALA 27 CO 0.04 -0.13 0.51 0.25 0.00 0.00 0.00 175.76 176.44 1nnj n THR 28 N 3.35 0.00 -3.26 0.00 -2.24 -0.07 -4.61 114.28 107.45 1nnj n THR 28 Ca -0.17 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.13 1nnj n THR 28 Cb 0.57 0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 69.37 1nnj n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nnj n TYR 29 N -1.64 0.65 0.30 4.78 -0.00 -1.10 -4.97 117.16 115.19 1nnj n TYR 29 Ca 0.00 -3.71 0.18 0.00 -0.00 0.00 0.00 57.90 54.38 1nnj n TYR 29 Cb 0.30 -0.39 0.97 0.00 -0.00 0.00 0.00 39.34 40.23 1nnj n TYR 29 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1nnj h PRO 30 N 4.09 0.00 0.00 2.98 0.13 -1.84 -3.05 132.00 134.32 1nnj h PRO 30 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1nnj h PRO 30 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1nnj h PRO 30 CO 0.55 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.35 1nnj h ARG 31 N 0.00 0.00 0.00 0.86 3.08 -1.99 -2.06 114.38 114.28 1nnj h ARG 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nnj h ARG 31 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1nnj h ARG 31 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1nnj n MET 32 N -2.85 0.21 -3.08 0.04 0.00 -1.15 -4.33 117.12 105.97 1nnj n MET 32 Ca -0.01 0.07 -0.45 0.00 0.00 0.00 0.00 57.70 57.31 1nnj n MET 32 Cb 0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.83 1nnj n MET 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1nnj s VAL 33 N -2.74 4.85 0.63 3.17 1.01 -0.77 -1.50 120.40 125.05 1nnj s VAL 33 Ca 0.19 -1.23 0.38 0.00 0.00 0.00 0.00 61.98 61.31 1nnj s VAL 33 Cb 0.16 -4.56 0.40 0.00 0.00 0.00 0.00 36.38 32.38 1nnj s VAL 33 CO 0.40 -1.22 2.32 -0.07 0.00 0.00 0.00 175.10 176.52 1nnj h LEU 34 N 9.93 0.00 -1.84 3.92 3.38 -1.12 -1.52 115.31 128.06 1nnj h LEU 34 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1nnj h LEU 34 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1nnj h LEU 34 CO 1.07 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.95 1nnj n THR 35 N -3.45 0.37 0.00 0.22 -2.24 -1.26 -5.01 114.28 102.91 1nnj n THR 35 Ca -0.03 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1nnj n THR 35 Cb 0.08 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1nnj n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nnj n GLY 36 N 1.36 1.32 0.17 3.38 0.00 -0.57 -4.82 105.19 106.03 1nnj n GLY 36 Ca 0.18 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1nnj n GLY 36 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nnj h PHE 37 N 0.00 -0.32 -0.83 1.61 3.57 -1.76 -2.10 116.94 117.11 1nnj h PHE 37 Ca 0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1nnj h PHE 37 Cb 0.00 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1nnj h PHE 37 CO 0.00 -0.05 0.54 0.93 -2.23 0.00 0.00 178.31 177.50 1nnj h GLU 38 N -0.57 0.67 -0.50 1.11 4.39 -1.94 0.23 114.58 117.96 1nnj h GLU 38 Ca -0.04 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 1nnj h GLU 38 Cb 0.42 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1nnj h GLU 38 CO 0.06 0.44 -0.10 1.96 -1.16 0.00 0.00 179.01 180.20 1nnj h GLN 39 N 0.69 0.95 -0.25 2.33 7.50 -1.86 -1.46 115.11 122.99 1nnj h GLN 39 Ca 0.40 -0.36 -0.03 0.00 0.50 0.00 0.00 58.65 59.16 1nnj h GLN 39 Cb 0.59 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1nnj h GLN 39 CO -0.16 1.02 0.04 1.25 -1.50 0.00 0.00 178.83 179.47 1nnj h LEU 40 N 0.81 0.41 -0.62 1.46 6.46 -0.28 -1.32 115.31 122.22 1nnj h LEU 40 Ca 0.13 -0.27 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1nnj h LEU 40 Cb 0.66 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 1nnj h LEU 40 CO 0.05 0.57 0.32 0.50 -0.62 0.00 0.00 178.44 179.26 1nnj h LYS 41 N 0.23 0.58 -0.32 1.25 3.64 -0.53 -0.10 116.57 121.32 1nnj h LYS 41 Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1nnj h LYS 41 Cb 0.34 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1nnj h LYS 41 CO 0.01 0.38 0.07 -0.22 -2.27 0.00 0.00 179.45 177.42 1nnj h LYS 42 N 0.60 0.52 -0.16 1.90 3.64 -1.12 -2.58 116.57 119.36 1nnj h LYS 42 Ca 0.29 -0.13 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1nnj h LYS 42 Cb 0.22 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1nnj h LYS 42 CO -0.20 0.59 -0.62 0.93 -2.27 0.00 0.00 179.45 177.89 1nnj h GLU 43 N 0.36 0.57 0.00 1.90 4.39 -0.81 -3.36 114.58 117.63 1nnj h GLU 43 Ca 0.10 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 1nnj h GLU 43 Cb 0.32 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1nnj h GLU 43 CO 0.00 1.01 -1.46 1.28 -1.16 0.00 0.00 179.01 178.69 1nnj n LEU 44 N -3.93 0.49 -4.72 1.33 4.77 -0.09 -4.83 117.00 110.03 1nnj n LEU 44 Ca -0.04 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1nnj n LEU 44 Cb 0.65 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1nnj n LEU 44 CO 0.48 -0.08 1.38 -0.89 -1.33 0.00 0.00 177.39 176.95 1nnj s THR 45 N -3.39 2.11 0.00 -5.08 2.01 -0.97 -1.39 115.64 108.93 1nnj s THR 45 Ca -0.04 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1nnj s THR 45 Cb 0.11 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1nnj s THR 45 CO 0.84 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 1nnj n GLY 46 N 4.00 1.12 3.91 4.40 0.00 0.74 -5.03 105.19 114.33 1nnj n GLY 46 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1nnj n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnj s LYS 47 N -0.58 3.60 -0.10 1.61 -0.14 -0.49 -4.71 119.74 118.94 1nnj s LYS 47 Ca 0.00 0.10 -0.03 0.00 -1.36 0.00 0.00 55.97 54.68 1nnj s LYS 47 Cb 0.00 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 1nnj s LYS 47 CO 0.00 0.01 0.02 0.99 -0.76 0.00 0.00 175.35 175.61 1nnj s THR 48 N -2.40 4.45 -0.12 2.17 2.01 -1.26 -0.30 115.64 120.18 1nnj s THR 48 Ca 0.46 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.97 1nnj s THR 48 Cb -0.10 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1nnj s THR 48 CO 0.36 0.59 1.31 -0.63 -0.69 0.00 0.00 174.62 175.56 1nnj s ILE 49 N -0.73 4.15 -0.13 1.82 -1.09 -0.55 -1.50 121.20 123.17 1nnj s ILE 49 Ca 0.12 1.42 0.20 0.00 -2.23 0.00 0.00 60.65 60.15 1nnj s ILE 49 Cb -0.12 -3.91 -0.20 0.00 -1.58 0.00 0.00 42.46 36.65 1nnj s ILE 49 CO 0.02 -0.10 0.61 0.00 -1.23 0.00 0.00 174.94 174.25 1nnj n GLN 50 N 6.36 0.64 0.00 2.79 1.13 0.11 -0.01 117.38 128.40 1nnj n GLN 50 Ca 0.14 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 1nnj n GLN 50 Cb 0.45 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1nnj n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nnj n GLY 51 N 1.37 -0.21 2.78 1.08 0.00 -1.12 -4.82 105.19 104.26 1nnj n GLY 51 Ca -0.10 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 1nnj n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nnj s ILE 52 N -2.00 0.26 0.44 -0.61 -1.09 -1.26 -0.87 121.20 116.07 1nnj s ILE 52 Ca 0.00 0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.58 1nnj s ILE 52 Cb 0.00 -0.41 0.01 0.00 -1.58 0.00 0.00 42.46 40.48 1nnj s ILE 52 CO 0.00 0.22 0.09 -1.20 -1.23 0.00 0.00 174.94 172.82 1nnj n SER 53 N 4.83 3.00 -3.71 3.58 7.64 0.94 -4.93 113.62 124.98 1nnj n SER 53 Ca -0.13 -2.81 -0.14 0.00 1.01 0.00 0.00 58.87 56.80 1nnj n SER 53 Cb 0.50 0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.83 1nnj n SER 53 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1nnj s ARG 54 N -3.65 0.68 -0.09 1.43 3.52 -1.26 -0.58 118.95 118.99 1nnj s ARG 54 Ca 0.07 0.16 -0.03 0.00 -0.13 0.00 0.00 55.73 55.80 1nnj s ARG 54 Cb -0.01 0.32 0.04 0.00 -1.56 0.00 0.00 34.95 33.74 1nnj s ARG 54 CO 0.05 -0.17 0.08 0.50 -0.81 0.00 0.00 175.30 174.95 1nnj s ARG 55 N -0.77 -0.02 7.84 5.12 6.06 -0.35 -4.98 118.95 131.86 1nnj s ARG 55 Ca -0.08 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.35 1nnj s ARG 55 Cb -0.04 -1.03 0.00 0.00 0.06 0.00 0.00 34.95 33.95 1nnj s ARG 55 CO 0.04 -0.47 0.00 0.41 -2.50 0.00 0.00 175.30 172.78 1nnj n GLY 56 N 5.29 3.58 1.04 8.12 0.00 -1.26 -0.66 105.19 121.30 1nnj n GLY 56 Ca -0.05 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1nnj n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nnj n LYS 57 N 14.00 2.39 -3.51 1.61 5.02 -1.26 -4.71 118.16 131.70 1nnj n LYS 57 Ca 0.00 -1.96 -0.37 0.00 -2.02 0.00 0.00 58.31 53.96 1nnj n LYS 57 Cb 0.00 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 1nnj n LYS 57 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1nnj s TYR 58 N -1.37 3.49 0.12 2.13 2.02 0.16 -4.59 117.35 119.31 1nnj s TYR 58 Ca 0.36 0.67 -0.13 0.00 -0.37 0.00 0.00 57.07 57.59 1nnj s TYR 58 Cb 0.20 -2.36 -0.07 0.00 -0.40 0.00 0.00 41.96 39.33 1nnj s TYR 58 CO 0.23 0.27 0.51 -0.51 -1.57 0.00 0.00 175.55 174.48 1nnj s LEU 59 N 0.36 4.36 -0.24 -1.29 1.43 0.29 -1.21 118.68 122.37 1nnj s LEU 59 Ca 0.18 1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1nnj s LEU 59 Cb -0.13 -3.15 0.07 0.00 0.03 0.00 0.00 46.19 43.01 1nnj s LEU 59 CO 0.05 0.14 0.03 -0.63 0.23 0.00 0.00 176.35 176.17 1nnj s ILE 60 N -1.41 0.97 -0.03 -0.59 1.01 0.25 -0.64 121.20 120.76 1nnj s ILE 60 Ca 0.36 -1.03 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 1nnj s ILE 60 Cb -0.15 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1nnj s ILE 60 CO 0.19 -0.31 0.76 -0.36 0.00 0.00 0.00 174.94 175.21 1nnj s PHE 61 N 1.63 3.62 -0.42 3.97 0.08 0.15 -0.04 117.98 126.97 1nnj s PHE 61 Ca 0.01 1.36 -0.12 0.00 0.12 0.00 0.00 56.93 58.30 1nnj s PHE 61 Cb -0.18 -2.85 0.06 0.00 -0.57 0.00 0.00 43.02 39.47 1nnj s PHE 61 CO -0.12 0.11 0.28 -1.21 -0.10 0.00 0.00 175.22 174.18 1nnj s GLU 62 N 0.66 2.79 -0.03 0.44 2.02 -0.05 -0.98 118.70 123.55 1nnj s GLU 62 Ca 0.40 -1.28 0.06 0.00 0.02 0.00 0.00 54.97 54.18 1nnj s GLU 62 Cb -0.19 -3.86 -0.01 0.00 0.10 0.00 0.00 34.13 30.17 1nnj s GLU 62 CO 0.21 -0.87 -0.22 0.42 0.02 0.00 0.00 175.26 174.81 1nnj s ILE 63 N 1.54 1.78 0.00 -1.63 1.01 -0.74 0.04 121.20 123.20 1nnj s ILE 63 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1nnj s ILE 63 Cb -0.22 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1nnj s ILE 63 CO 0.05 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1nnj n GLY 64 N 2.76 1.26 0.00 6.18 0.00 -0.57 -2.22 105.19 112.60 1nnj n GLY 64 Ca -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1nnj n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nnj n ASP 65 N 3.48 4.88 -0.10 1.61 8.00 -1.26 -4.73 116.55 128.43 1nnj n ASP 65 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1nnj n ASP 65 Cb 0.00 0.97 0.01 0.00 -0.02 0.00 0.00 41.12 42.09 1nnj n ASP 65 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1nnj n ASP 66 N -1.57 0.75 -4.73 -2.24 5.75 -1.26 -4.92 116.55 108.34 1nnj n ASP 66 Ca -0.00 -1.65 -0.33 0.00 -0.01 0.00 0.00 54.79 52.80 1nnj n ASP 66 Cb 0.06 -0.08 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 1nnj n ASP 66 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1nnj s PHE 67 N -0.55 3.18 -0.10 2.11 0.08 -0.94 -1.48 117.98 120.28 1nnj s PHE 67 Ca 0.03 0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 1nnj s PHE 67 Cb 0.03 -1.71 0.04 0.00 -0.57 0.00 0.00 43.02 40.81 1nnj s PHE 67 CO 0.00 0.51 0.04 1.03 -0.10 0.00 0.00 175.22 176.70 1nnj s ARG 68 N -1.58 0.28 -0.40 0.44 1.81 0.28 -1.80 118.95 118.00 1nnj s ARG 68 Ca 0.20 0.07 -0.16 0.00 -1.72 0.00 0.00 55.73 54.13 1nnj s ARG 68 Cb -0.12 -1.18 0.01 0.00 -0.45 0.00 0.00 34.95 33.21 1nnj s ARG 68 CO 0.11 -0.44 0.37 -1.17 -0.68 0.00 0.00 175.30 173.49 1nnj s LEU 69 N 2.05 4.81 -0.28 2.53 2.96 -0.16 -1.35 118.68 129.24 1nnj s LEU 69 Ca 0.03 -0.61 -0.19 0.00 -0.22 0.00 0.00 54.13 53.14 1nnj s LEU 69 Cb -0.14 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1nnj s LEU 69 CO -0.06 -0.47 0.55 -0.63 -1.32 0.00 0.00 176.35 174.43 1nnj s ILE 70 N 1.97 5.02 -0.09 6.68 -1.09 0.44 -0.68 121.20 133.46 1nnj s ILE 70 Ca 0.10 0.83 0.05 0.00 -2.23 0.00 0.00 60.65 59.40 1nnj s ILE 70 Cb -0.17 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.80 1nnj s ILE 70 CO 0.12 -0.02 -0.24 -0.55 -1.23 0.00 0.00 174.94 173.03 1nnj s SER 71 N 1.59 3.14 -0.12 3.58 0.15 0.19 -1.30 113.70 120.94 1nnj s SER 71 Ca 0.22 -0.52 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1nnj s SER 71 Cb -0.15 -1.20 0.01 0.00 -1.71 0.00 0.00 66.02 62.97 1nnj s SER 71 CO 0.10 0.19 -0.17 -2.28 1.20 0.00 0.00 173.24 172.29 1nnj s HIS 72 N 0.14 2.17 -0.70 3.44 2.46 -0.68 -0.55 115.29 121.56 1nnj s HIS 72 Ca -0.12 -1.07 0.26 0.00 0.47 0.00 0.00 55.06 54.60 1nnj s HIS 72 Cb -0.16 -1.54 0.74 0.00 -0.13 0.00 0.00 32.58 31.48 1nnj s HIS 72 CO 0.07 -0.53 1.73 -0.07 -2.47 0.00 0.00 174.74 173.46 1nnj h LEU 73 N 7.48 0.00 0.00 8.88 3.38 -1.87 -1.69 115.31 131.49 1nnj h LEU 73 Ca -0.32 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1nnj h LEU 73 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1nnj h LEU 73 CO 0.51 0.01 0.00 0.54 0.09 0.00 0.00 178.44 179.59 1nnj n ARG 74 N -2.33 0.00 0.12 1.13 5.12 -1.26 -0.93 116.66 118.51 1nnj n ARG 74 Ca 0.05 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.77 1nnj n ARG 74 Cb 0.44 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.59 1nnj n ARG 74 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 1nnj h MET 75 N 0.00 0.40 0.00 5.56 2.86 -1.94 -1.20 114.93 120.61 1nnj h MET 75 Ca 0.00 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 56.95 1nnj h MET 75 Cb 0.00 0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1nnj h MET 75 CO 0.00 1.32 0.00 0.39 1.06 0.00 0.00 176.91 179.68 1nnj n GLU 76 N -3.61 1.13 -1.74 1.72 -0.58 -1.21 -4.21 120.64 112.13 1nnj n GLU 76 Ca -0.14 -0.86 -0.42 0.00 -0.42 0.00 0.00 57.16 55.32 1nnj n GLU 76 Cb 1.07 -0.75 -0.01 0.00 -0.57 0.00 0.00 31.44 31.17 1nnj n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nnj n GLY 77 N -0.20 1.15 3.00 0.62 0.00 -0.11 -4.43 105.19 105.21 1nnj n GLY 77 Ca 0.00 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 1nnj n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nnj s LYS 78 N -1.23 0.16 0.08 1.61 1.02 0.44 -4.85 119.74 116.98 1nnj s LYS 78 Ca 0.60 0.32 0.04 0.00 0.02 0.00 0.00 55.97 56.95 1nnj s LYS 78 Cb -0.51 -0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.73 1nnj s LYS 78 CO 0.56 -0.09 0.03 0.71 -0.92 0.00 0.00 175.35 175.63 1nnj s TYR 79 N 0.62 3.06 -0.06 3.18 2.02 -1.26 -0.70 117.35 124.20 1nnj s TYR 79 Ca -0.04 0.01 -0.16 0.00 -0.37 0.00 0.00 57.07 56.51 1nnj s TYR 79 Cb -0.06 -1.57 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1nnj s TYR 79 CO -0.03 0.49 0.37 -0.98 -1.57 0.00 0.00 175.55 173.83 1nnj s ARG 80 N -2.32 0.63 -0.26 -0.62 1.70 -0.71 -0.59 118.95 116.79 1nnj s ARG 80 Ca 0.27 0.09 -0.10 0.00 -0.47 0.00 0.00 55.73 55.52 1nnj s ARG 80 Cb -0.12 0.29 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1nnj s ARG 80 CO 0.19 -0.15 0.14 -0.51 -1.08 0.00 0.00 175.30 173.89 1nnj s LEU 81 N -0.80 3.82 0.31 -1.89 1.43 -1.26 -1.03 118.68 119.27 1nnj s LEU 81 Ca -0.09 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1nnj s LEU 81 Cb -0.04 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1nnj s LEU 81 CO 0.03 -0.02 0.07 0.00 0.23 0.00 0.00 176.35 176.67 1nnj s ALA 82 N 1.57 2.24 0.70 4.21 0.00 -0.13 -4.95 121.76 125.40 1nnj s ALA 82 Ca 0.07 -1.95 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 1nnj s ALA 82 Cb -0.15 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.75 1nnj s ALA 82 CO 0.07 -0.35 1.08 0.95 0.00 0.00 0.00 175.76 177.51 1nnj s THR 83 N -3.41 3.59 0.42 0.00 -4.23 -1.26 -0.83 115.64 109.92 1nnj s THR 83 Ca 0.36 0.60 0.36 0.00 -1.18 0.00 0.00 61.69 61.83 1nnj s THR 83 Cb 0.08 -3.17 0.38 0.00 1.34 0.00 0.00 72.50 71.13 1nnj s THR 83 CO 0.15 -0.59 2.17 -0.07 -0.54 0.00 0.00 174.62 175.73 1nnj h LEU 84 N -0.50 0.00 -2.72 4.79 3.38 -1.87 -2.06 115.31 116.33 1nnj h LEU 84 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1nnj h LEU 84 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1nnj h LEU 84 CO 0.54 0.04 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 1nnj n ASP 85 N -3.29 3.98 -4.74 -0.43 5.75 -1.26 -4.99 116.55 111.58 1nnj n ASP 85 Ca -0.02 -2.04 -0.42 0.00 -0.01 0.00 0.00 54.79 52.31 1nnj n ASP 85 Cb 0.19 -0.50 -0.01 0.00 -1.03 0.00 0.00 41.12 39.77 1nnj n ASP 85 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nnj n ALA 86 N 1.60 2.29 -1.78 2.12 0.00 -0.78 -4.95 120.51 119.01 1nnj n ALA 86 Ca 0.25 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.70 1nnj n ALA 86 Cb 0.64 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.65 1nnj n ALA 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nnj s PRO 87 N -0.81 3.69 0.33 0.00 0.04 -1.26 -4.99 135.00 132.00 1nnj s PRO 87 Ca 0.62 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.95 1nnj s PRO 87 Cb -0.51 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 1nnj s PRO 87 CO 0.52 -0.56 1.21 1.03 0.04 0.00 0.00 177.00 179.24 1nnj s ARG 88 N -3.02 4.40 0.07 4.56 1.81 -1.26 -5.04 118.95 120.47 1nnj s ARG 88 Ca 0.67 2.01 0.03 0.00 -1.72 0.00 0.00 55.73 56.72 1nnj s ARG 88 Cb -0.23 -3.04 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 1nnj s ARG 88 CO 0.27 -0.08 0.04 -1.21 -0.68 0.00 0.00 175.30 173.65 1nnj s GLU 89 N -1.77 2.78 0.31 3.54 2.02 -1.26 -5.03 118.70 119.29 1nnj s GLU 89 Ca 0.49 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.83 1nnj s GLU 89 Cb -0.36 -2.67 0.86 0.00 0.10 0.00 0.00 34.13 32.07 1nnj s GLU 89 CO 0.46 0.57 1.64 -0.22 0.02 0.00 0.00 175.26 177.73 1nnj h LYS 90 N 3.51 0.20 -0.54 1.61 3.64 -2.05 -2.32 116.57 120.62 1nnj h LYS 90 Ca -0.47 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1nnj h LYS 90 Cb 1.17 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1nnj h LYS 90 CO 0.63 0.13 0.03 0.72 -2.27 0.00 0.00 179.45 178.69 1nnj n HIS 91 N -5.21 1.93 -2.53 1.91 8.25 -1.26 -4.95 115.22 113.36 1nnj n HIS 91 Ca 0.25 -0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 56.48 1nnj n HIS 91 Cb 0.81 -0.50 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 1nnj n HIS 91 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nnj s ASP 92 N -1.04 7.27 -0.01 0.41 1.01 -0.88 -1.83 116.67 121.60 1nnj s ASP 92 Ca 0.53 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.84 1nnj s ASP 92 Cb 0.41 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 1nnj s ASP 92 CO 0.14 -0.23 -0.01 1.41 0.21 0.00 0.00 175.17 176.70 1nnj n HIS 93 N 2.57 0.00 -4.03 4.23 8.25 0.44 -4.78 115.22 121.90 1nnj n HIS 93 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 1nnj n HIS 93 Cb 0.46 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 1nnj n HIS 93 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1nnj s LEU 94 N -4.61 2.34 -0.11 2.41 1.43 -1.14 -0.89 118.68 118.10 1nnj s LEU 94 Ca -0.01 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.30 1nnj s LEU 94 Cb 0.00 0.10 0.03 0.00 0.03 0.00 0.00 46.19 46.36 1nnj s LEU 94 CO 0.04 -0.40 0.29 0.28 0.23 0.00 0.00 176.35 176.79 1nnj s THR 95 N -2.40 -0.01 -0.33 5.49 -1.32 -0.50 -0.76 115.64 115.82 1nnj s THR 95 Ca -0.06 0.04 -0.07 0.00 -1.21 0.00 0.00 61.69 60.39 1nnj s THR 95 Cb -0.03 -0.42 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 1nnj s THR 95 CO -0.04 0.02 0.10 -0.32 -2.21 0.00 0.00 174.62 172.16 1nnj s MET 96 N 0.50 2.76 -0.11 7.08 1.75 -0.09 -1.47 119.30 129.71 1nnj s MET 96 Ca -0.03 -1.08 -0.17 0.00 -1.25 0.00 0.00 55.69 53.16 1nnj s MET 96 Cb -0.04 -3.43 -0.04 0.00 2.84 0.00 0.00 34.83 34.15 1nnj s MET 96 CO -0.03 -0.60 0.44 0.15 -0.65 0.00 0.00 175.02 174.33 1nnj s LYS 97 N 1.43 4.28 0.45 4.11 1.02 0.11 -0.85 119.74 130.29 1nnj s LYS 97 Ca -0.00 0.39 0.03 0.00 0.02 0.00 0.00 55.97 56.41 1nnj s LYS 97 Cb -0.19 -3.41 0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1nnj s LYS 97 CO 0.03 0.23 0.28 1.19 -0.92 0.00 0.00 175.35 176.16 1nnj n PHE 98 N 3.44 -0.42 -0.15 3.18 3.72 0.97 0.10 117.46 128.29 1nnj n PHE 98 Ca -0.09 -1.95 -0.10 0.00 -0.05 0.00 0.00 57.45 55.26 1nnj n PHE 98 Cb 0.52 -0.35 0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1nnj n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nnj h ALA 99 N 0.79 0.75 -0.01 4.37 0.00 -1.99 -3.32 119.26 119.85 1nnj h ALA 99 Ca -0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1nnj h ALA 99 Cb 1.05 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 1nnj h ALA 99 CO 0.48 0.67 -0.58 -0.40 0.00 0.00 0.00 179.25 179.41 1nnj n ASP 100 N -4.12 1.65 0.00 0.00 5.68 -1.26 -5.04 116.55 113.47 1nnj n ASP 100 Ca 0.00 -3.63 0.00 0.00 -0.50 0.00 0.00 54.79 50.67 1nnj n ASP 100 Cb 0.44 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1nnj n ASP 100 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nnj n GLY 101 N -0.88 -0.39 3.11 6.12 0.00 -1.25 -4.78 105.19 107.13 1nnj n GLY 101 Ca 0.17 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1nnj n GLY 101 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nnj s GLN 102 N -2.00 0.52 -0.30 1.61 -2.07 -0.01 -0.02 119.66 117.39 1nnj s GLN 102 Ca 0.00 -0.49 -0.09 0.00 -1.82 0.00 0.00 55.36 52.96 1nnj s GLN 102 Cb 0.00 0.21 -0.01 0.00 -1.09 0.00 0.00 33.01 32.12 1nnj s GLN 102 CO 0.00 -0.13 0.13 -1.17 -1.32 0.00 0.00 175.29 172.80 1nnj s LEU 103 N -1.59 3.97 -0.13 2.60 2.96 -0.03 -0.95 118.68 125.51 1nnj s LEU 103 Ca -0.12 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.27 1nnj s LEU 103 Cb -0.06 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1nnj s LEU 103 CO -0.00 -0.17 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.20 1nnj s ILE 104 N 1.60 3.97 -0.19 6.68 1.01 -0.20 -0.91 121.20 133.16 1nnj s ILE 104 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 1nnj s ILE 104 Cb -0.17 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 1nnj s ILE 104 CO 0.05 0.53 0.03 -0.47 0.00 0.00 0.00 174.94 175.09 1nnj s TYR 105 N -0.08 3.13 0.08 3.97 5.04 0.06 -1.73 117.35 127.82 1nnj s TYR 105 Ca 0.02 -0.19 0.08 0.00 -2.44 0.00 0.00 57.07 54.54 1nnj s TYR 105 Cb -0.13 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.07 1nnj s TYR 105 CO 0.02 -0.05 -0.20 0.00 -1.34 0.00 0.00 175.55 173.98 1nnj s ALA 106 N 0.71 1.72 -0.29 3.97 0.00 0.12 -0.42 121.76 127.56 1nnj s ALA 106 Ca 0.02 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1nnj s ALA 106 Cb -0.14 -0.26 0.20 0.00 0.00 0.00 0.00 23.12 22.92 1nnj s ALA 106 CO 0.02 0.35 0.62 0.34 0.00 0.00 0.00 175.76 177.09 1nnj s ASP 107 N -1.65 -1.53 0.19 0.00 3.68 -0.76 -0.42 116.67 116.17 1nnj s ASP 107 Ca 0.06 0.31 -0.13 0.00 2.13 0.00 0.00 52.55 54.92 1nnj s ASP 107 Cb -0.10 2.02 0.19 0.00 -1.45 0.00 0.00 42.92 43.59 1nnj s ASP 107 CO 0.03 -0.28 1.70 0.58 0.13 0.00 0.00 175.17 177.34 1nnj h VAL 108 N 5.93 0.68 -0.00 1.11 2.07 -1.81 -2.26 116.25 121.97 1nnj h VAL 108 Ca -0.06 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1nnj h VAL 108 Cb 1.18 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1nnj h VAL 108 CO 0.16 0.03 -0.10 0.54 0.02 0.00 0.00 177.57 178.23 1nnj n ARG 109 N -5.16 0.61 -2.37 1.57 1.74 -1.26 -4.94 116.66 106.85 1nnj n ARG 109 Ca 0.05 -0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 56.76 1nnj n ARG 109 Cb 0.25 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 1nnj n ARG 109 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nnj n LYS 110 N -1.04 -1.72 0.02 5.56 5.02 -0.85 -4.89 118.16 120.26 1nnj n LYS 110 Ca 0.14 0.99 -0.06 0.00 -2.02 0.00 0.00 58.31 57.36 1nnj n LYS 110 Cb 0.27 -5.64 -0.11 0.00 -0.02 0.00 0.00 35.03 29.53 1nnj n LYS 110 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1nnj h PHE 111 N 0.00 0.00 -3.54 2.13 0.04 -1.91 -3.48 116.94 110.18 1nnj h PHE 111 Ca -0.48 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.73 1nnj h PHE 111 Cb 1.35 0.00 0.18 0.00 2.20 0.00 0.00 35.95 39.68 1nnj h PHE 111 CO 0.57 0.89 -0.09 0.41 -0.60 0.00 0.00 178.31 179.49 1nnj n GLY 112 N 1.45 -0.85 3.05 -1.45 0.00 -1.26 -4.85 105.19 101.26 1nnj n GLY 112 Ca -0.10 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1nnj n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nnj s THR 113 N -1.83 0.32 -0.03 2.61 -4.23 -0.63 -4.86 115.64 106.98 1nnj s THR 113 Ca 0.71 -1.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1nnj s THR 113 Cb -0.35 -0.75 -0.00 0.00 1.34 0.00 0.00 72.50 72.73 1nnj s THR 113 CO 0.53 -0.60 -0.15 0.26 -0.54 0.00 0.00 174.62 174.12 1nnj s TRP 114 N -2.12 1.45 -0.05 3.99 0.52 -0.56 -1.69 118.94 120.48 1nnj s TRP 114 Ca -0.07 -0.38 -0.02 0.00 0.02 0.00 0.00 56.10 55.66 1nnj s TRP 114 Cb -0.05 -0.98 0.03 0.00 -1.15 0.00 0.00 33.47 31.32 1nnj s TRP 114 CO -0.03 -0.12 0.08 -1.21 0.02 0.00 0.00 176.95 175.70 1nnj s GLU 115 N -0.01 -0.01 -0.26 4.98 2.02 -0.42 -0.73 118.70 124.27 1nnj s GLU 115 Ca -0.02 0.34 -0.11 0.00 0.02 0.00 0.00 54.97 55.21 1nnj s GLU 115 Cb -0.10 -0.31 -0.05 0.00 0.10 0.00 0.00 34.13 33.77 1nnj s GLU 115 CO 0.01 -0.24 0.17 -1.17 0.02 0.00 0.00 175.26 174.05 1nnj s LEU 116 N 1.60 4.00 0.25 1.80 2.96 -1.26 -0.42 118.68 127.62 1nnj s LEU 116 Ca -0.03 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1nnj s LEU 116 Cb -0.12 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1nnj s LEU 116 CO -0.04 -0.01 0.17 0.27 -1.32 0.00 0.00 176.35 175.42 1nnj s ILE 117 N 1.50 0.10 0.46 6.68 -4.36 -0.46 -4.93 121.20 120.19 1nnj s ILE 117 Ca 0.07 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.42 1nnj s ILE 117 Cb -0.15 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 1nnj s ILE 117 CO 0.08 0.00 0.74 -0.94 0.24 0.00 0.00 174.94 175.06 1nnj s SER 118 N -3.26 6.20 0.25 4.36 1.04 -1.26 -0.55 113.70 120.48 1nnj s SER 118 Ca 0.39 0.79 -0.03 0.00 0.48 0.00 0.00 55.95 57.58 1nnj s SER 118 Cb 0.06 -2.14 0.48 0.00 0.10 0.00 0.00 66.02 64.52 1nnj s SER 118 CO 0.17 -0.56 1.74 0.74 0.98 0.00 0.00 173.24 176.31 1nnj h THR 119 N 0.31 0.69 0.00 2.02 2.02 -1.56 -0.27 112.91 116.12 1nnj h THR 119 Ca -0.47 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1nnj h THR 119 Cb 1.21 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1nnj h THR 119 CO 0.61 0.09 0.00 -0.90 0.37 0.00 0.00 175.52 175.70 1nnj n ASP 120 N -4.95 0.00 -0.21 4.18 3.85 -1.26 -3.02 116.55 115.15 1nnj n ASP 120 Ca 0.15 -1.04 0.10 0.00 -0.71 0.00 0.00 54.79 53.29 1nnj n ASP 120 Cb 0.42 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.13 1nnj n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1nnj n GLN 121 N -0.96 0.94 0.16 0.11 6.02 -0.12 -4.55 117.38 118.97 1nnj n GLN 121 Ca 0.22 -0.43 -0.14 0.00 -0.01 0.00 0.00 57.00 56.63 1nnj n GLN 121 Cb 0.10 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 1nnj n GLN 121 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1nnj h VAL 122 N 1.03 0.77 -0.54 5.09 2.07 -1.48 -0.27 116.25 122.92 1nnj h VAL 122 Ca 0.00 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1nnj h VAL 122 Cb 0.57 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1nnj h VAL 122 CO 0.00 0.05 0.30 -0.07 0.02 0.00 0.00 177.57 177.87 1nnj h LEU 123 N -0.46 0.46 -0.98 2.57 3.38 -1.81 -2.12 115.31 116.36 1nnj h LEU 123 Ca -0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1nnj h LEU 123 Cb 0.35 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1nnj h LEU 123 CO 0.06 0.32 0.16 -0.65 0.09 0.00 0.00 178.44 178.42 1nnj h PRO 124 N 0.59 0.90 -0.38 1.13 0.11 -1.79 -1.82 132.00 130.74 1nnj h PRO 124 Ca 0.23 -0.18 0.05 0.00 0.11 0.00 0.00 66.00 66.20 1nnj h PRO 124 Cb 0.08 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.01 1nnj h PRO 124 CO -0.13 0.79 0.13 -0.92 -0.21 0.00 0.00 178.00 177.66 1nnj h TYR 125 N 0.87 0.23 0.00 0.65 3.20 -0.42 -0.60 116.97 120.90 1nnj h TYR 125 Ca 0.19 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 1nnj h TYR 125 Cb 0.29 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1nnj h TYR 125 CO 0.02 0.09 -0.56 0.74 -1.64 0.00 0.00 178.16 176.81 1nnj h PHE 126 N 0.28 0.00 -0.55 -3.82 0.04 -1.20 -2.56 116.94 109.13 1nnj h PHE 126 Ca 0.18 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.84 1nnj h PHE 126 Cb 0.16 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1nnj h PHE 126 CO -0.15 0.56 -0.08 -0.07 -0.60 0.00 0.00 178.31 177.97 1nnj h LEU 127 N 0.00 1.02 -1.33 1.54 3.38 -0.85 -1.88 115.31 117.19 1nnj h LEU 127 Ca -0.01 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 1nnj h LEU 127 Cb 1.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1nnj h LEU 127 CO 0.07 1.12 -0.05 0.50 0.09 0.00 0.00 178.44 180.17 1nnj h LYS 128 N 0.91 0.38 0.00 1.13 3.64 -0.98 -0.71 116.57 120.93 1nnj h LYS 128 Ca 0.15 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nnj h LYS 128 Cb 0.64 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1nnj h LYS 128 CO 0.04 0.46 0.00 1.63 -2.27 0.00 0.00 179.45 179.31 1nnj n LYS 129 N -4.29 0.13 -2.38 1.90 4.76 -0.97 -4.91 118.16 112.41 1nnj n LYS 129 Ca 0.00 0.21 -0.19 0.00 -2.87 0.00 0.00 58.31 55.46 1nnj n LYS 129 Cb 0.25 -1.69 -0.01 0.00 -1.84 0.00 0.00 35.03 31.74 1nnj n LYS 129 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1nnj n LYS 130 N -1.93 -1.60 -2.04 1.97 5.02 -0.27 -4.95 118.16 114.36 1nnj n LYS 130 Ca 0.05 0.93 -0.41 0.00 -2.02 0.00 0.00 58.31 56.86 1nnj n LYS 130 Cb 0.32 -5.51 -0.02 0.00 -0.02 0.00 0.00 35.03 29.80 1nnj n LYS 130 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nnj s ILE 131 N -2.97 2.68 0.31 -0.18 -1.09 -1.16 -4.48 121.20 114.32 1nnj s ILE 131 Ca 0.01 0.60 -0.05 0.00 -2.23 0.00 0.00 60.65 58.97 1nnj s ILE 131 Cb -0.00 -3.38 0.07 0.00 -1.58 0.00 0.00 42.46 37.57 1nnj s ILE 131 CO 0.01 0.11 0.41 0.61 -1.23 0.00 0.00 174.94 174.84 1nnj n GLY 132 N 1.86 -1.40 3.76 6.18 0.00 0.12 -4.95 105.19 110.77 1nnj n GLY 132 Ca 0.05 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 1nnj n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nnj s PRO 133 N -3.89 2.54 0.53 1.61 0.04 -1.26 -4.14 135.00 130.42 1nnj s PRO 133 Ca 0.23 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 1nnj s PRO 133 Cb -0.01 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1nnj s PRO 133 CO 0.16 -1.46 1.18 -1.21 0.04 0.00 0.00 177.00 175.71 1nnj s GLU 134 N -4.19 3.38 -1.36 4.56 0.41 -1.26 -0.77 118.70 119.47 1nnj s GLU 134 Ca 0.67 1.77 -0.13 0.00 -0.41 0.00 0.00 54.97 56.87 1nnj s GLU 134 Cb -0.22 -2.14 -0.04 0.00 -1.78 0.00 0.00 34.13 29.96 1nnj s GLU 134 CO 0.45 -0.86 2.40 -0.35 -0.49 0.00 0.00 175.26 176.40 1nnj n PRO 135 N -1.08 2.84 -4.22 0.39 -0.04 -1.26 -3.28 135.00 128.35 1nnj n PRO 135 Ca 0.11 -2.26 -0.15 0.00 -0.04 0.00 0.00 63.50 61.16 1nnj n PRO 135 Cb 0.49 -3.00 -0.11 0.00 -0.04 0.00 0.00 33.50 30.84 1nnj n PRO 135 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1nnj s THR 136 N 3.17 1.11 0.48 0.52 -4.23 -1.26 -4.68 115.64 110.75 1nnj s THR 136 Ca 0.55 -1.80 0.14 0.00 -1.18 0.00 0.00 61.69 59.40 1nnj s THR 136 Cb 0.15 -1.56 0.25 0.00 1.34 0.00 0.00 72.50 72.68 1nnj s THR 136 CO -0.05 -0.59 2.10 1.88 -0.54 0.00 0.00 174.62 177.43 1nnj h TYR 137 N 3.30 0.11 -0.26 3.99 0.05 -1.90 0.11 116.97 122.36 1nnj h TYR 137 Ca -0.38 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.27 1nnj h TYR 137 Cb 1.19 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.89 1nnj h TYR 137 CO 0.64 0.10 -0.37 0.93 -1.05 0.00 0.00 178.16 178.41 1nnj h GLU 138 N 0.11 0.72 0.01 4.88 3.07 -1.95 -3.38 114.58 118.03 1nnj h GLU 138 Ca 0.03 -0.42 -0.36 0.00 -0.50 0.00 0.00 59.36 58.11 1nnj h GLU 138 Cb 0.05 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.93 1nnj h GLU 138 CO -0.00 1.04 -2.24 -0.25 -1.40 0.00 0.00 179.01 176.16 1nnj n ASP 139 N -4.21 0.61 -4.49 1.42 9.92 -1.03 -4.82 116.55 113.95 1nnj n ASP 139 Ca -0.04 0.08 -0.43 0.00 -0.53 0.00 0.00 54.79 53.87 1nnj n ASP 139 Cb 0.52 0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 41.43 1nnj n ASP 139 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1nnj s PHE 140 N -2.52 2.83 -0.29 1.24 5.99 0.36 -4.74 117.98 120.84 1nnj s PHE 140 Ca -0.13 -1.02 -0.29 0.00 0.00 0.00 0.00 56.93 55.49 1nnj s PHE 140 Cb 0.07 -4.42 0.00 0.00 0.00 0.00 0.00 43.02 38.67 1nnj s PHE 140 CO 0.79 -1.68 1.23 0.34 -0.00 0.00 0.00 175.22 175.91 1nnj s ASP 141 N 4.02 6.77 0.46 6.13 3.68 -1.26 -4.78 116.67 131.69 1nnj s ASP 141 Ca 0.35 1.21 0.13 0.00 2.13 0.00 0.00 52.55 56.36 1nnj s ASP 141 Cb -0.06 -2.54 1.04 0.00 -1.45 0.00 0.00 42.92 39.92 1nnj s ASP 141 CO -0.05 -0.99 2.06 -0.08 0.13 0.00 0.00 175.17 176.23 1nnj h GLU 142 N 8.84 0.15 -0.27 4.34 4.81 -1.94 -2.48 114.58 128.03 1nnj h GLU 142 Ca -0.25 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1nnj h GLU 142 Cb 1.09 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1nnj h GLU 142 CO 1.03 0.18 0.05 0.87 -0.73 0.00 0.00 179.01 180.41 1nnj h LYS 143 N 0.15 0.45 -0.41 1.92 1.57 -1.99 0.08 116.57 118.33 1nnj h LYS 143 Ca 0.04 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1nnj h LYS 143 Cb 0.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1nnj h LYS 143 CO 0.00 0.55 -0.33 1.25 -0.57 0.00 0.00 179.45 180.36 1nnj h LEU 144 N 0.27 0.99 -0.08 2.94 5.85 -1.96 -2.15 115.31 121.18 1nnj h LEU 144 Ca 0.08 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1nnj h LEU 144 Cb 0.32 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1nnj h LEU 144 CO 0.00 1.22 -0.18 0.15 -0.34 0.00 0.00 178.44 179.29 1nnj h PHE 145 N 0.78 -0.46 -0.69 1.25 -0.00 -1.32 -0.70 116.94 115.80 1nnj h PHE 145 Ca 0.08 0.02 0.06 0.00 -0.00 0.00 0.00 57.97 58.12 1nnj h PHE 145 Cb 0.91 0.22 -0.05 0.00 -0.00 0.00 0.00 35.95 37.02 1nnj h PHE 145 CO 0.06 -0.25 0.40 -0.09 -0.00 0.00 0.00 178.31 178.42 1nnj h ARG 146 N -0.25 0.72 -0.72 1.11 2.43 -0.84 -1.87 114.38 114.96 1nnj h ARG 146 Ca 0.08 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1nnj h ARG 146 Cb 0.36 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1nnj h ARG 146 CO -0.23 0.48 0.19 0.93 -1.51 0.00 0.00 179.97 179.83 1nnj h GLU 147 N 0.74 1.15 -0.34 0.20 4.39 -0.78 -1.45 114.58 118.49 1nnj h GLU 147 Ca 0.31 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1nnj h GLU 147 Cb 0.16 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1nnj h GLU 147 CO -0.17 1.00 -0.25 0.87 -1.16 0.00 0.00 179.01 179.30 1nnj h LYS 148 N 1.09 0.68 -0.38 2.33 1.57 -0.77 -2.73 116.57 118.35 1nnj h LYS 148 Ca 0.23 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1nnj h LYS 148 Cb 0.35 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1nnj h LYS 148 CO -0.00 0.86 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.39 1nnj h LEU 149 N 0.59 0.84 -1.30 2.94 3.38 -1.09 -3.08 115.31 117.58 1nnj h LEU 149 Ca 0.08 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1nnj h LEU 149 Cb 0.73 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nnj h LEU 149 CO 0.06 1.07 -0.32 0.03 0.09 0.00 0.00 178.44 179.36 1nnj h ARG 150 N 0.69 0.00 -0.01 1.13 3.08 -1.12 -2.68 114.38 115.47 1nnj h ARG 150 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1nnj h ARG 150 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1nnj h ARG 150 CO 0.07 0.32 -0.17 1.63 -1.07 0.00 0.00 179.97 180.75 1nnj n LYS 151 N -3.84 0.90 -4.23 0.04 5.02 -1.04 -4.63 118.16 110.38 1nnj n LYS 151 Ca -0.01 -0.46 -0.26 0.00 -2.02 0.00 0.00 58.31 55.55 1nnj n LYS 151 Cb 0.40 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1nnj n LYS 151 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nnj s SER 152 N -2.42 4.64 0.00 4.39 0.15 -1.13 -5.00 113.70 114.33 1nnj s SER 152 Ca 0.28 -0.45 0.09 0.00 0.70 0.00 0.00 55.95 56.57 1nnj s SER 152 Cb 0.20 -0.94 0.15 0.00 -1.71 0.00 0.00 66.02 63.72 1nnj s SER 152 CO 0.48 0.09 0.97 0.35 1.20 0.00 0.00 173.24 176.32 1nnj n THR 153 N -0.14 0.40 -1.56 6.45 -2.24 -1.26 -2.04 114.28 113.88 1nnj n THR 153 Ca -0.10 -0.70 -0.34 0.00 -2.27 0.00 0.00 64.05 60.65 1nnj n THR 153 Cb 0.55 0.92 0.07 0.00 -2.10 0.00 0.00 70.33 69.78 1nnj n THR 153 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nnj s LYS 154 N -0.88 2.41 0.36 -0.78 1.02 -1.26 -4.60 119.74 116.01 1nnj s LYS 154 Ca 0.15 1.60 -0.26 0.00 0.02 0.00 0.00 55.97 57.48 1nnj s LYS 154 Cb 0.09 -1.88 -0.09 0.00 -0.52 0.00 0.00 37.83 35.42 1nnj s LYS 154 CO 0.13 -1.59 1.04 0.15 -0.92 0.00 0.00 175.35 174.15 1nnj s LYS 155 N -3.99 4.34 0.20 1.68 1.02 -1.26 -1.23 119.74 120.49 1nnj s LYS 155 Ca 0.71 1.54 -0.11 0.00 0.02 0.00 0.00 55.97 58.13 1nnj s LYS 155 Cb -0.25 -2.72 0.15 0.00 -0.52 0.00 0.00 37.83 34.49 1nnj s LYS 155 CO 0.44 0.01 1.84 0.97 -0.92 0.00 0.00 175.35 177.68 1nnj h ILE 156 N 2.45 1.08 0.23 2.17 6.09 -0.86 -2.08 117.51 126.60 1nnj h ILE 156 Ca -0.48 -0.27 -0.01 0.00 -1.37 0.00 0.00 64.86 62.74 1nnj h ILE 156 Cb 1.21 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.74 1nnj h ILE 156 CO 0.64 0.14 -0.11 0.50 -3.07 0.00 0.00 178.15 176.25 1nnj h LYS 157 N 0.77 -0.30 -0.75 2.19 3.64 -1.72 -0.93 116.57 119.47 1nnj h LYS 157 Ca 0.25 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1nnj h LYS 157 Cb 0.01 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1nnj h LYS 157 CO -0.10 -0.09 0.50 -1.35 -2.27 0.00 0.00 179.45 176.13 1nnj h PRO 158 N -0.46 0.93 -0.31 1.90 0.11 -1.80 -1.70 132.00 130.68 1nnj h PRO 158 Ca -0.03 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 1nnj h PRO 158 Cb 0.35 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1nnj h PRO 158 CO 0.05 0.62 0.00 -0.92 -0.21 0.00 0.00 178.00 177.54 1nnj h TYR 159 N 0.96 0.60 -0.35 0.65 5.03 -1.22 -2.87 116.97 119.77 1nnj h TYR 159 Ca 0.29 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.47 1nnj h TYR 159 Cb -0.01 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 1nnj h TYR 159 CO -0.00 0.68 0.08 -0.07 -1.32 0.00 0.00 178.16 177.53 1nnj h LEU 160 N 0.35 0.46 -0.95 2.82 3.38 -0.71 -1.91 115.31 118.76 1nnj h LEU 160 Ca 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1nnj h LEU 160 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1nnj h LEU 160 CO 0.02 0.47 0.00 -0.07 0.09 0.00 0.00 178.44 178.95 1nnj h LEU 161 N 0.50 0.00 -1.72 1.67 3.38 -1.11 -3.14 115.31 114.89 1nnj h LEU 161 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1nnj h LEU 161 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1nnj h LEU 161 CO -0.00 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.20 1nnj h GLU 162 N 0.00 0.00 0.00 1.13 5.08 -1.16 -3.46 114.58 116.16 1nnj h GLU 162 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nnj h GLU 162 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1nnj h GLU 162 CO 0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1nnj n GLN 163 N -2.70 -0.19 0.01 2.33 1.13 -1.19 -4.87 117.38 111.90 1nnj n GLN 163 Ca -0.01 0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 1nnj n GLN 163 Cb 0.16 -3.31 -0.14 0.00 0.11 0.00 0.00 30.24 27.06 1nnj n GLN 163 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1nnj h THR 164 N 0.00 0.94 0.01 5.09 1.35 -1.83 0.35 112.91 118.83 1nnj h THR 164 Ca 0.00 -2.71 -0.21 0.00 -0.55 0.00 0.00 66.41 62.94 1nnj h THR 164 Cb 0.10 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.05 1nnj h THR 164 CO 0.00 0.68 -0.93 -0.07 -0.25 0.00 0.00 175.52 174.95 1nnj h LEU 165 N 0.03 0.35 -7.00 3.87 3.38 -1.88 -3.35 115.31 110.71 1nnj h LEU 165 Ca -0.28 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.45 1nnj h LEU 165 Cb 2.00 -0.11 -0.24 0.00 0.09 0.00 0.00 40.66 42.40 1nnj h LEU 165 CO 0.10 1.11 0.48 0.54 0.09 0.00 0.00 178.44 180.76 1nnj s VAL 166 N -3.17 0.00 0.12 1.22 0.11 -1.26 -4.47 120.40 112.96 1nnj s VAL 166 Ca -0.04 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 1nnj s VAL 166 Cb 0.09 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1nnj s VAL 166 CO 0.84 0.00 0.36 0.00 -3.33 0.00 0.00 175.10 172.97 1nnj s ALA 167 N -0.62 3.81 0.00 1.54 0.00 0.05 -4.21 121.76 122.33 1nnj s ALA 167 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1nnj s ALA 167 Cb -0.02 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1nnj s ALA 167 CO -0.00 0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.84 1nnj n GLY 168 N 0.23 2.56 3.74 0.00 0.00 -1.26 -4.22 105.19 106.23 1nnj n GLY 168 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1nnj n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nnj s LEU 169 N 0.00 4.54 0.00 0.99 1.43 -1.26 -1.92 118.68 122.46 1nnj s LEU 169 Ca 0.00 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1nnj s LEU 169 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1nnj s LEU 169 CO 0.00 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1nnj n GLY 170 N 1.87 4.21 0.37 -3.19 0.00 -1.26 -4.77 105.19 102.42 1nnj n GLY 170 Ca 0.01 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 1nnj n GLY 170 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1nnj h ASN 171 N 0.00 1.04 0.40 1.61 -1.24 -1.97 -1.29 115.58 114.14 1nnj h ASN 171 Ca 0.00 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 1nnj h ASN 171 Cb 0.00 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.79 1nnj h ASN 171 CO 0.00 0.77 -0.19 0.40 -1.29 0.00 0.00 177.43 177.12 1nnj h ILE 172 N 1.22 0.54 0.00 2.57 2.04 -1.96 -2.90 117.51 119.02 1nnj h ILE 172 Ca 0.33 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 1nnj h ILE 172 Cb -0.11 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1nnj h ILE 172 CO -0.07 0.08 -0.21 1.88 0.00 0.00 0.00 178.15 179.83 1nnj h TYR 173 N -0.85 0.00 -0.40 1.37 -1.99 -1.95 -2.15 116.97 110.99 1nnj h TYR 173 Ca -0.05 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.53 1nnj h TYR 173 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1nnj h TYR 173 CO 0.01 0.21 -0.33 -0.24 -0.00 0.00 0.00 178.16 177.82 1nnj h VAL 174 N 0.00 1.27 -0.51 -2.88 3.04 -1.28 0.12 116.25 116.01 1nnj h VAL 174 Ca -0.00 -1.50 -0.08 0.00 -1.01 0.00 0.00 66.70 64.11 1nnj h VAL 174 Cb 0.80 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.38 1nnj h VAL 174 CO 0.03 0.50 0.02 0.44 -1.01 0.00 0.00 177.57 177.55 1nnj h ASP 175 N 0.76 0.87 -0.58 3.17 5.19 -1.30 -1.78 116.42 122.75 1nnj h ASP 175 Ca 0.08 -0.30 -0.09 0.00 -0.62 0.00 0.00 57.03 56.10 1nnj h ASP 175 Cb 0.91 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.16 1nnj h ASP 175 CO 0.08 0.95 0.01 -0.33 -3.12 0.00 0.00 179.24 176.84 1nnj h GLU 176 N 0.76 1.02 -0.31 3.56 4.39 -1.19 -2.39 114.58 120.42 1nnj h GLU 176 Ca 0.15 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1nnj h GLU 176 Cb 0.50 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1nnj h GLU 176 CO 0.02 1.00 0.06 0.28 -1.16 0.00 0.00 179.01 179.21 1nnj h VAL 177 N 0.92 1.23 -0.32 3.13 2.07 -0.64 -1.41 116.25 121.22 1nnj h VAL 177 Ca 0.17 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1nnj h VAL 177 Cb 0.53 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1nnj h VAL 177 CO 0.03 0.26 -0.09 -0.07 0.02 0.00 0.00 177.57 177.72 1nnj h LEU 178 N 0.34 0.52 -0.45 2.57 3.38 -1.29 -0.34 115.31 120.04 1nnj h LEU 178 Ca 0.10 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1nnj h LEU 178 Cb 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1nnj h LEU 178 CO 0.00 0.65 -0.28 -0.25 0.09 0.00 0.00 178.44 178.65 1nnj h TRP 179 N 0.50 1.15 -0.63 1.13 7.01 -1.30 -0.46 115.95 123.34 1nnj h TRP 179 Ca 0.10 -0.30 -0.08 0.00 2.11 0.00 0.00 58.89 60.71 1nnj h TRP 179 Cb 0.46 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1nnj h TRP 179 CO 0.02 1.14 0.08 1.25 -2.79 0.00 0.00 178.44 178.13 1nnj h LEU 180 N 0.83 1.01 -0.86 0.65 5.85 -0.73 -2.71 115.31 119.35 1nnj h LEU 180 Ca 0.09 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1nnj h LEU 180 Cb 0.87 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1nnj h LEU 180 CO 0.08 1.01 0.00 0.00 -0.34 0.00 0.00 178.44 179.19 1nnj n ALA 181 N -2.47 2.55 -3.66 1.25 0.00 -0.19 -4.95 120.51 113.05 1nnj n ALA 181 Ca 0.04 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.84 1nnj n ALA 181 Cb 0.30 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.64 1nnj n ALA 181 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nnj n LYS 182 N 0.06 -5.45 -4.98 0.00 5.02 -0.33 -4.84 118.16 107.64 1nnj n LYS 182 Ca 0.17 0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 56.84 1nnj n LYS 182 Cb 0.28 -5.38 -0.17 0.00 -0.02 0.00 0.00 35.03 29.75 1nnj n LYS 182 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1nnj s ILE 183 N -3.56 1.68 0.18 -0.18 1.01 -0.34 -4.64 121.20 115.34 1nnj s ILE 183 Ca 0.09 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 1nnj s ILE 183 Cb -0.04 -1.46 -0.08 0.00 0.01 0.00 0.00 42.46 40.89 1nnj s ILE 183 CO 0.79 0.48 1.13 -2.28 0.00 0.00 0.00 174.94 175.06 1nnj s HIS 184 N 0.24 3.54 0.58 3.97 5.65 -1.26 -4.53 115.29 123.49 1nnj s HIS 184 Ca -0.11 1.55 0.28 0.00 0.25 0.00 0.00 55.06 57.03 1nnj s HIS 184 Cb -0.15 -3.32 1.56 0.00 -1.18 0.00 0.00 32.58 29.49 1nnj s HIS 184 CO 0.05 -0.78 2.02 -1.00 -0.65 0.00 0.00 174.74 174.38 1nnj h PRO 185 N 5.16 0.00 -0.12 2.88 0.13 -1.92 -1.73 132.00 136.41 1nnj h PRO 185 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1nnj h PRO 185 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nnj h PRO 185 CO 0.73 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.89 1nnj n GLU 186 N -3.83 1.92 -1.75 0.86 1.02 -1.26 -2.12 120.64 115.49 1nnj n GLU 186 Ca 0.05 -1.36 -0.42 0.00 -0.02 0.00 0.00 57.16 55.40 1nnj n GLU 186 Cb 0.47 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 1nnj n GLU 186 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1nnj s LYS 187 N -1.86 4.14 0.17 3.49 2.47 -0.65 -4.65 119.74 122.85 1nnj s LYS 187 Ca 0.34 2.57 -0.30 0.00 -1.56 0.00 0.00 55.97 57.02 1nnj s LYS 187 Cb 0.20 -3.37 -0.08 0.00 -1.46 0.00 0.00 37.83 33.12 1nnj s LYS 187 CO 0.30 -0.79 1.31 -1.21 0.16 0.00 0.00 175.35 175.13 1nnj s GLU 188 N 2.04 4.38 0.44 4.03 2.02 -1.26 -0.50 118.70 129.85 1nnj s GLU 188 Ca 0.77 2.03 0.12 0.00 0.02 0.00 0.00 54.97 57.91 1nnj s GLU 188 Cb -0.47 -3.22 1.01 0.00 0.10 0.00 0.00 34.13 31.55 1nnj s GLU 188 CO 0.34 -0.28 2.04 1.79 0.02 0.00 0.00 175.26 179.17 1nnj h THR 189 N 3.90 1.00 0.00 3.63 1.35 -1.35 -1.77 112.91 119.67 1nnj h THR 189 Ca -0.44 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1nnj h THR 189 Cb 1.21 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1nnj h THR 189 CO 0.79 0.07 0.00 -0.46 -0.25 0.00 0.00 175.52 175.67 1nnj n ASN 190 N -4.48 0.00 -0.41 5.36 0.23 -0.87 -1.87 115.26 113.23 1nnj n ASN 190 Ca 0.05 -0.27 0.11 0.00 -0.53 0.00 0.00 54.58 53.94 1nnj n ASN 190 Cb 0.20 -0.11 0.01 0.00 -2.08 0.00 0.00 39.78 37.80 1nnj n ASN 190 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nnj n GLN 191 N -1.11 1.02 -2.61 -3.83 6.02 -0.66 -4.93 117.38 111.27 1nnj n GLN 191 Ca 0.10 -0.83 -0.42 0.00 -0.01 0.00 0.00 57.00 55.84 1nnj n GLN 191 Cb 0.08 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 1nnj n GLN 191 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1nnj s LEU 192 N -2.55 4.29 0.67 1.08 1.43 -0.78 -5.03 118.68 117.78 1nnj s LEU 192 Ca 0.17 1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1nnj s LEU 192 Cb 0.18 -3.56 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 1nnj s LEU 192 CO 0.61 -0.45 1.07 0.27 0.23 0.00 0.00 176.35 178.08 1nnj s ILE 193 N 1.80 3.92 0.23 -0.59 -4.36 -1.26 -4.84 121.20 116.10 1nnj s ILE 193 Ca 0.52 0.61 -0.06 0.00 -0.26 0.00 0.00 60.65 61.46 1nnj s ILE 193 Cb -0.21 -3.61 0.19 0.00 1.25 0.00 0.00 42.46 40.08 1nnj s ILE 193 CO 0.22 -0.81 1.73 -0.08 0.24 0.00 0.00 174.94 176.24 1nnj h GLU 194 N -0.53 0.41 -0.82 0.37 4.81 -1.99 -1.50 114.58 115.33 1nnj h GLU 194 Ca -0.45 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1nnj h GLU 194 Cb 1.23 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1nnj h GLU 194 CO 0.63 0.27 0.51 0.66 -0.73 0.00 0.00 179.01 180.35 1nnj h SER 195 N 0.42 0.96 -0.36 1.04 4.64 -1.99 -0.54 113.55 117.72 1nnj h SER 195 Ca 0.38 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 1nnj h SER 195 Cb 0.54 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1nnj h SER 195 CO -0.38 0.73 -0.31 0.28 -0.87 0.00 0.00 176.83 176.28 1nnj h SER 196 N 1.12 0.89 -0.50 4.97 0.02 -1.70 -1.88 113.55 116.47 1nnj h SER 196 Ca 0.30 -0.45 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 1nnj h SER 196 Cb -0.07 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 1nnj h SER 196 CO -0.06 1.16 0.14 0.40 -1.14 0.00 0.00 176.83 177.33 1nnj h ILE 197 N 0.64 1.23 -0.49 3.27 2.04 -0.86 0.59 117.51 123.92 1nnj h ILE 197 Ca 0.06 -0.81 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 1nnj h ILE 197 Cb 0.89 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1nnj h ILE 197 CO 0.08 0.30 -0.04 -0.74 0.00 0.00 0.00 178.15 177.75 1nnj h HIS 198 N 0.81 0.99 -0.64 1.37 2.76 -0.98 -0.33 115.15 119.13 1nnj h HIS 198 Ca 0.18 -0.19 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1nnj h HIS 198 Cb 0.29 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1nnj h HIS 198 CO 0.02 0.94 0.09 1.25 -1.30 0.00 0.00 177.93 178.92 1nnj h LEU 199 N 0.76 1.03 -0.03 0.26 6.46 -0.81 -2.25 115.31 120.72 1nnj h LEU 199 Ca 0.14 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 1nnj h LEU 199 Cb 0.57 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1nnj h LEU 199 CO 0.03 1.04 0.01 0.25 -0.62 0.00 0.00 178.44 179.15 1nnj h LEU 200 N 0.98 0.04 -0.33 2.25 5.85 -0.70 -0.40 115.31 123.00 1nnj h LEU 200 Ca 0.19 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1nnj h LEU 200 Cb 0.46 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1nnj h LEU 200 CO 0.02 0.23 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.55 1nnj h HIS 201 N -0.15 -0.12 -0.41 1.25 2.76 -0.97 0.54 115.15 118.06 1nnj h HIS 201 Ca 0.01 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1nnj h HIS 201 Cb 0.20 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1nnj h HIS 201 CO -0.01 -0.11 -0.08 -0.44 -1.30 0.00 0.00 177.93 175.99 1nnj h ASP 202 N 0.03 0.68 -0.18 3.26 5.19 -1.34 -2.88 116.42 121.17 1nnj h ASP 202 Ca 0.16 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.26 1nnj h ASP 202 Cb 0.24 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1nnj h ASP 202 CO -0.32 0.80 -0.35 0.28 -3.12 0.00 0.00 179.24 176.53 1nnj h SER 203 N 0.64 0.74 -0.07 6.45 0.02 -0.30 0.16 113.55 121.19 1nnj h SER 203 Ca 0.12 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1nnj h SER 203 Cb 0.51 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1nnj h SER 203 CO 0.03 1.02 0.05 0.40 -1.14 0.00 0.00 176.83 177.19 1nnj h ILE 204 N 0.59 1.02 -0.29 3.27 2.04 -0.77 -0.31 117.51 123.06 1nnj h ILE 204 Ca 0.06 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1nnj h ILE 204 Cb 0.88 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1nnj h ILE 204 CO 0.08 0.02 0.08 0.40 0.00 0.00 0.00 178.15 178.73 1nnj h ILE 205 N 0.09 1.21 0.13 -0.67 2.04 -1.38 -2.55 117.51 116.38 1nnj h ILE 205 Ca 0.03 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1nnj h ILE 205 Cb -0.00 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1nnj h ILE 205 CO -0.01 0.22 -0.06 -0.33 0.00 0.00 0.00 178.15 177.97 1nnj h GLU 206 N 0.30 -0.16 -0.04 2.37 4.39 -0.80 -0.61 114.58 120.03 1nnj h GLU 206 Ca 0.09 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1nnj h GLU 206 Cb 0.26 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1nnj h GLU 206 CO -0.00 -0.08 -0.02 0.82 -1.16 0.00 0.00 179.01 178.57 1nnj h ILE 207 N -0.20 0.94 -0.49 3.13 1.08 -1.09 0.52 117.51 121.40 1nnj h ILE 207 Ca -0.02 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 1nnj h ILE 207 Cb 0.16 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 34.83 1nnj h ILE 207 CO 0.03 0.00 0.08 -0.07 -0.69 0.00 0.00 178.15 177.49 1nnj h LEU 208 N -0.02 0.78 -1.09 1.44 3.38 -1.45 0.33 115.31 118.68 1nnj h LEU 208 Ca 0.02 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1nnj h LEU 208 Cb 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1nnj h LEU 208 CO -0.05 0.84 0.13 1.56 0.09 0.00 0.00 178.44 181.02 1nnj h GLN 209 N 0.69 0.78 -0.29 1.13 7.50 -0.98 -0.99 115.11 122.95 1nnj h GLN 209 Ca 0.15 -0.15 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 1nnj h GLN 209 Cb 0.40 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 1nnj h GLN 209 CO 0.01 0.70 -0.20 -0.22 -1.50 0.00 0.00 178.83 177.62 1nnj h LYS 210 N 0.76 0.64 -0.87 1.46 3.64 -0.57 -2.36 116.57 119.27 1nnj h LYS 210 Ca 0.17 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1nnj h LYS 210 Cb 0.27 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1nnj h LYS 210 CO -0.00 0.90 0.55 0.00 -2.27 0.00 0.00 179.45 178.63 1nnj h ALA 211 N 0.73 1.10 -0.13 5.00 0.00 -0.56 -1.76 119.26 123.64 1nnj h ALA 211 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nnj h ALA 211 Cb 0.75 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1nnj h ALA 211 CO 0.05 0.53 0.07 0.82 0.00 0.00 0.00 179.25 180.72 1nnj h ILE 212 N 1.18 1.11 -0.78 0.00 2.04 -1.13 0.19 117.51 120.12 1nnj h ILE 212 Ca 0.31 -0.31 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1nnj h ILE 212 Cb -0.10 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1nnj h ILE 212 CO -0.06 0.10 0.51 0.50 0.00 0.00 0.00 178.15 179.20 1nnj h LYS 213 N 0.09 0.69 -0.38 2.37 3.64 -1.02 -1.28 116.57 120.68 1nnj h LYS 213 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nnj h LYS 213 Cb 0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1nnj h LYS 213 CO -0.01 0.46 0.00 1.28 -2.27 0.00 0.00 179.45 178.91 1nnj n LEU 214 N -4.50 2.01 -0.63 5.20 4.77 -0.70 -4.92 117.00 118.23 1nnj n LEU 214 Ca 0.13 -1.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.04 1nnj n LEU 214 Cb 0.33 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1nnj n LEU 214 CO 0.32 0.49 -0.07 0.61 -1.33 0.00 0.00 177.39 177.41 1nnj n GLY 215 N 1.05 0.51 1.99 -0.72 0.00 -0.48 0.01 105.19 107.54 1nnj n GLY 215 Ca 0.12 -0.68 0.07 0.00 0.00 0.00 0.00 46.02 45.54 1nnj n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nnj n GLY 216 N -1.61 -1.98 3.57 -0.02 0.00 0.63 -3.40 105.19 102.38 1nnj n GLY 216 Ca -0.07 -1.33 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1nnj n GLY 216 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nnj s SER 217 N -4.37 6.04 -0.12 1.61 0.01 -1.26 -1.88 113.70 113.73 1nnj s SER 217 Ca 0.00 -0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.03 1nnj s SER 217 Cb 0.00 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 1nnj s SER 217 CO 0.00 -0.12 0.12 -0.44 0.41 0.00 0.00 173.24 173.21 1nnj s SER 218 N 1.74 6.22 0.00 2.44 0.01 -1.26 -4.91 113.70 117.94 1nnj s SER 218 Ca 0.07 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1nnj s SER 218 Cb -0.17 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1nnj s SER 218 CO 0.11 0.39 0.13 -0.38 0.41 0.00 0.00 173.24 173.89 1nnj n ILE 219 N 2.12 0.00 0.00 1.44 2.08 -1.26 -4.85 119.36 118.89 1nnj n ILE 219 Ca -0.20 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 62.88 1nnj n ILE 219 Cb 0.55 1.30 0.00 0.00 -0.75 0.00 0.00 39.64 40.73 1nnj n ILE 219 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nnj n ALA 224 N -0.21 0.00 -1.91 -1.39 0.00 -1.26 -5.16 120.51 110.58 1nnj n ALA 224 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1nnj n ALA 224 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 1nnj n ALA 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nnj s LEU 225 N -3.57 4.43 0.00 0.00 1.43 0.25 -3.11 118.68 118.11 1nnj s LEU 225 Ca 0.00 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 1nnj s LEU 225 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 1nnj s LEU 225 CO 0.00 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1nnj n GLY 226 N 1.82 2.20 1.19 -3.19 0.00 -1.26 -4.75 105.19 101.20 1nnj n GLY 226 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1nnj n GLY 226 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nnj n SER 227 N 0.00 3.26 0.00 1.61 3.41 -1.18 -2.90 113.62 117.82 1nnj n SER 227 Ca 0.00 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 1nnj n SER 227 Cb 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1nnj n SER 227 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nnj n THR 228 N 0.90 0.49 -0.76 6.66 -1.04 -1.26 -4.97 114.28 114.30 1nnj n THR 228 Ca 0.00 -0.71 -0.31 0.00 -2.04 0.00 0.00 64.05 60.99 1nnj n THR 228 Cb 0.43 0.79 0.16 0.00 -1.82 0.00 0.00 70.33 69.89 1nnj n THR 228 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1nnj s GLY 229 N -0.49 1.69 0.00 3.41 0.00 -1.14 -4.91 107.32 105.87 1nnj s GLY 229 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 1nnj s GLY 229 CO 0.00 0.96 0.49 0.28 0.00 0.00 0.00 173.10 174.83 1nnj n LYS 230 N -4.16 0.38 0.23 2.90 4.76 0.10 -4.44 118.16 117.93 1nnj n LYS 230 Ca 0.11 -0.61 0.09 0.00 -2.87 0.00 0.00 58.31 55.03 1nnj n LYS 230 Cb 0.52 -0.79 0.57 0.00 -1.84 0.00 0.00 35.03 33.49 1nnj n LYS 230 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 1nnj h MET 231 N 0.00 0.00 0.00 1.97 4.05 -1.45 -2.71 114.93 116.78 1nnj h MET 231 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1nnj h MET 231 Cb 0.42 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1nnj h MET 231 CO 0.00 0.21 0.00 -0.56 0.23 0.00 0.00 176.91 176.79 1nnj h GLN 232 N 0.00 0.00 -0.01 0.39 -0.00 -1.87 0.13 115.11 113.76 1nnj h GLN 232 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1nnj h GLN 232 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.94 1nnj h GLN 232 CO 0.03 0.00 -0.10 0.09 -0.00 0.00 0.00 178.83 178.85 1nnj n ASN 233 N -3.05 0.70 -0.38 0.06 3.02 -1.02 -3.60 115.26 110.99 1nnj n ASN 233 Ca -0.02 -0.86 0.06 0.00 -0.03 0.00 0.00 54.58 53.72 1nnj n ASN 233 Cb 0.11 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.30 1nnj n ASN 233 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nnj n GLU 234 N -0.69 1.13 -2.01 3.52 -0.58 0.45 -5.01 120.64 117.46 1nnj n GLU 234 Ca 0.16 -0.98 -0.42 0.00 -0.42 0.00 0.00 57.16 55.50 1nnj n GLU 234 Cb 0.28 -1.18 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 1nnj n GLU 234 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1nnj s LEU 235 N -1.23 4.38 -0.11 -4.62 1.43 -1.16 -4.93 118.68 112.44 1nnj s LEU 235 Ca 0.12 2.58 0.18 0.00 -1.03 0.00 0.00 54.13 55.97 1nnj s LEU 235 Cb 0.09 -3.60 -0.24 0.00 0.03 0.00 0.00 46.19 42.47 1nnj s LEU 235 CO 0.19 -0.74 0.33 0.00 0.23 0.00 0.00 176.35 176.36 1nnj n GLN 236 N 3.34 0.67 0.00 1.70 1.13 -1.26 -4.85 117.38 118.11 1nnj n GLN 236 Ca 0.11 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1nnj n GLN 236 Cb 0.40 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1nnj n GLN 236 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 1nnj n VAL 237 N -2.73 0.00 -1.68 5.09 0.24 -1.26 -4.81 118.33 113.18 1nnj n VAL 237 Ca -0.23 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.64 1nnj n VAL 237 Cb 1.00 -0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 33.13 1nnj n VAL 237 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nnj n TYR 238 N -1.34 2.51 -1.39 6.34 9.36 -1.26 -1.09 117.16 130.28 1nnj n TYR 238 Ca 0.00 -0.13 -0.13 0.00 3.32 0.00 0.00 57.90 60.96 1nnj n TYR 238 Cb 0.14 -2.72 -0.06 0.00 -0.63 0.00 0.00 39.34 36.07 1nnj n TYR 238 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nnj n GLY 239 N 4.25 1.41 1.27 2.98 0.00 -1.26 -4.88 105.19 108.96 1nnj n GLY 239 Ca 0.19 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1nnj n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nnj n LYS 240 N -2.57 3.58 -1.57 1.61 4.76 -0.25 -5.03 118.16 118.69 1nnj n LYS 240 Ca -0.13 -2.97 -0.51 0.00 -2.87 0.00 0.00 58.31 51.83 1nnj n LYS 240 Cb 0.44 -2.00 -0.05 0.00 -1.84 0.00 0.00 35.03 31.58 1nnj n LYS 240 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1nnj n THR 241 N -0.15 0.61 0.00 -0.18 -1.04 -1.26 -0.99 114.28 111.27 1nnj n THR 241 Ca 0.25 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1nnj n THR 241 Cb 1.02 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 1nnj n THR 241 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nnj n GLY 242 N 2.10 2.57 3.94 3.41 0.00 -0.24 -4.95 105.19 112.02 1nnj n GLY 242 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1nnj n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nnj s GLU 243 N -0.17 2.77 0.04 1.61 2.02 -0.17 -4.74 118.70 120.07 1nnj s GLU 243 Ca 0.00 -0.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.40 1nnj s GLU 243 Cb 0.00 -2.39 -0.06 0.00 0.10 0.00 0.00 34.13 31.78 1nnj s GLU 243 CO 0.00 -0.65 0.70 0.15 0.02 0.00 0.00 175.26 175.48 1nnj s LYS 244 N -4.85 4.43 0.32 1.61 -0.14 -1.26 -0.13 119.74 119.73 1nnj s LYS 244 Ca 0.54 0.95 -0.29 0.00 -1.36 0.00 0.00 55.97 55.80 1nnj s LYS 244 Cb -0.10 -3.34 -0.11 0.00 -1.68 0.00 0.00 37.83 32.60 1nnj s LYS 244 CO 0.41 0.35 1.48 0.00 -0.76 0.00 0.00 175.35 176.84 1nnj n SER 246 N 1.37 0.00 -0.12 0.00 3.41 -1.26 -1.69 113.62 115.33 1nnj n SER 246 Ca 0.04 0.50 -0.23 0.00 -0.26 0.00 0.00 58.87 58.91 1nnj n SER 246 Cb 0.39 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 1nnj n SER 246 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1nnj n ARG 247 N -1.50 0.52 -0.00 4.33 1.74 -1.26 -4.81 116.66 115.67 1nnj n ARG 247 Ca 0.04 0.20 0.05 0.00 -0.77 0.00 0.00 57.85 57.38 1nnj n ARG 247 Cb 0.20 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 1nnj n ARG 247 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nnj n GLY 249 N 1.80 0.80 3.78 0.00 0.00 -0.68 -4.98 105.19 105.91 1nnj n GLY 249 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1nnj n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nnj s ALA 250 N -2.36 2.49 0.06 4.61 0.00 -1.26 -4.24 121.76 121.05 1nnj s ALA 250 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1nnj s ALA 250 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 1nnj s ALA 250 CO 0.00 -1.33 1.12 -1.21 0.00 0.00 0.00 175.76 174.34 1nnj s GLU 251 N -4.49 4.50 0.16 0.00 2.02 -1.26 0.63 118.70 120.26 1nnj s GLU 251 Ca 0.63 1.66 -0.31 0.00 0.02 0.00 0.00 54.97 56.98 1nnj s GLU 251 Cb -0.18 -3.37 -0.09 0.00 0.10 0.00 0.00 34.13 30.60 1nnj s GLU 251 CO 0.47 -0.14 1.39 0.42 0.02 0.00 0.00 175.26 177.43 1nnj s ILE 252 N 0.82 3.11 0.26 -1.63 -1.09 0.82 -4.56 121.20 118.92 1nnj s ILE 252 Ca 0.55 0.84 0.08 0.00 -2.23 0.00 0.00 60.65 59.89 1nnj s ILE 252 Cb -0.27 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1nnj s ILE 252 CO 0.30 0.09 0.15 -1.10 -1.23 0.00 0.00 174.94 173.15 1nnj s GLN 253 N 0.55 2.74 -0.08 2.79 -1.52 -0.06 -1.08 119.66 123.00 1nnj s GLN 253 Ca 0.62 -1.17 0.02 0.00 -1.95 0.00 0.00 55.36 52.88 1nnj s GLN 253 Cb -0.38 -2.45 0.02 0.00 -0.22 0.00 0.00 33.01 29.98 1nnj s GLN 253 CO 0.34 0.37 -0.11 0.21 -0.25 0.00 0.00 175.29 175.85 1nnj s LYS 254 N -3.81 1.71 0.39 2.91 2.20 -1.26 -1.56 119.74 120.32 1nnj s LYS 254 Ca 0.33 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.60 1nnj s LYS 254 Cb -0.07 -1.49 -0.02 0.00 -1.51 0.00 0.00 37.83 34.74 1nnj s LYS 254 CO 0.24 -0.05 0.16 0.44 -0.36 0.00 0.00 175.35 175.78 1nnj n ILE 255 N 4.13 0.00 -4.47 5.43 -5.35 0.07 -4.94 119.36 114.24 1nnj n ILE 255 Ca -0.20 -2.37 -0.34 0.00 -0.27 0.00 0.00 62.75 59.57 1nnj n ILE 255 Cb 0.51 0.90 -0.14 0.00 -1.74 0.00 0.00 39.64 39.17 1nnj n ILE 255 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1nnj s LYS 256 N -3.51 3.43 -0.12 6.28 2.20 -1.26 -0.25 119.74 126.51 1nnj s LYS 256 Ca 0.23 -0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 55.20 1nnj s LYS 256 Cb 0.01 -2.78 0.03 0.00 -1.51 0.00 0.00 37.83 33.58 1nnj s LYS 256 CO 0.16 0.10 -0.07 0.08 -0.36 0.00 0.00 175.35 175.27 1nnj s VAL 257 N 0.66 1.02 -1.49 4.02 1.01 -0.54 -4.77 120.40 120.31 1nnj s VAL 257 Ca -0.05 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 1nnj s VAL 257 Cb -0.15 -1.08 0.09 0.00 0.00 0.00 0.00 36.38 35.24 1nnj s VAL 257 CO 0.02 0.32 0.79 0.00 0.00 0.00 0.00 175.10 176.23 1nnj n ALA 258 N 4.94 -1.19 -0.95 5.51 0.00 -1.26 -1.15 120.51 126.41 1nnj n ALA 258 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1nnj n ALA 258 Cb 0.50 -3.84 0.00 0.00 0.00 0.00 0.00 19.45 16.11 1nnj n ALA 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnj n GLY 259 N -1.49 0.81 3.49 0.00 0.00 -1.26 -5.04 105.19 101.70 1nnj n GLY 259 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1nnj n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nnj s ARG 260 N -0.05 2.18 0.21 1.61 1.81 -0.30 -5.09 118.95 119.32 1nnj s ARG 260 Ca 0.00 -0.92 -0.31 0.00 -1.72 0.00 0.00 55.73 52.78 1nnj s ARG 260 Cb 0.00 -2.26 -0.11 0.00 -0.45 0.00 0.00 34.95 32.13 1nnj s ARG 260 CO 0.00 0.55 1.57 0.20 -0.68 0.00 0.00 175.30 176.95 1nnj s GLY 261 N -1.45 1.75 -0.09 -3.53 0.00 -1.26 -1.47 107.32 101.27 1nnj s GLY 261 Ca 0.15 1.44 -0.01 0.00 0.00 0.00 0.00 44.72 46.30 1nnj s GLY 261 CO 0.06 2.59 -0.05 -1.59 0.00 0.00 0.00 173.10 174.11 1nnj s THR 262 N 0.71 0.74 -0.15 0.90 2.01 0.66 -4.90 115.64 115.61 1nnj s THR 262 Ca 0.67 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.50 1nnj s THR 262 Cb -0.45 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1nnj s THR 262 CO 0.37 0.31 0.02 -1.00 -0.69 0.00 0.00 174.62 173.63 1nnj s HIS 263 N 1.70 3.16 0.18 4.92 3.76 -1.26 -0.75 115.29 127.01 1nnj s HIS 263 Ca 0.03 -0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 54.70 1nnj s HIS 263 Cb -0.13 -1.98 0.05 0.00 1.11 0.00 0.00 32.58 31.64 1nnj s HIS 263 CO -0.06 0.16 0.59 -0.59 -0.85 0.00 0.00 174.74 173.99 1nnj s PHE 264 N 0.09 -0.39 -0.30 1.40 -0.12 -0.60 -4.80 117.98 113.26 1nnj s PHE 264 Ca 0.03 0.11 -0.12 0.00 -0.05 0.00 0.00 56.93 56.90 1nnj s PHE 264 Cb -0.13 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1nnj s PHE 264 CO 0.02 -0.90 0.21 0.00 -0.05 0.00 0.00 175.22 174.50 1nnj h PRO 266 N 8.40 0.00 0.00 0.00 0.11 -1.83 -0.70 132.00 137.99 1nnj h PRO 266 Ca -0.34 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.64 1nnj h PRO 266 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1nnj h PRO 266 CO 0.58 0.00 -0.85 0.28 -0.21 0.00 0.00 178.00 177.80 1nnj h VAL 267 N 0.00 0.67 0.00 3.15 2.07 -1.93 -3.39 116.25 116.82 1nnj h VAL 267 Ca -0.00 -1.78 -0.06 0.00 0.82 0.00 0.00 66.70 65.68 1nnj h VAL 267 Cb 0.05 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1nnj h VAL 267 CO 0.00 0.23 -0.29 0.00 0.02 0.00 0.00 177.57 177.53 1nnj n GLN 269 N -3.61 2.19 -1.94 0.00 6.02 -0.27 -4.50 117.38 115.27 1nnj n GLN 269 Ca -0.01 -4.53 -0.35 0.00 -0.01 0.00 0.00 57.00 52.10 1nnj n GLN 269 Cb 0.42 -2.31 0.04 0.00 1.02 0.00 0.00 30.24 29.40 1nnj n GLN 269 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1nnj s GLN 270 N -1.68 2.89 0.00 -1.09 -1.52 -1.26 -4.43 119.66 112.57 1nnj s GLN 270 Ca 0.28 1.76 0.00 0.00 -1.95 0.00 0.00 55.36 55.46 1nnj s GLN 270 Cb -0.01 -1.93 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 1nnj s GLN 270 CO -0.13 -1.26 0.00 1.63 -0.25 0.00 0.00 175.29 175.28