#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrw s LYS 3 N 0.00 2.75 0.48 -0.52 2.20 -1.26 -5.12 119.74 118.27 2qrw s LYS 3 Ca 0.00 -0.74 -0.20 0.00 -0.36 0.00 0.00 55.97 54.67 2qrw s LYS 3 Cb 0.00 -2.38 -0.09 0.00 -1.51 0.00 0.00 37.83 33.85 2qrw s LYS 3 CO 0.00 -0.19 1.04 -1.54 -0.36 0.00 0.00 175.35 174.30 2qrw s SER 4 N 1.29 6.37 0.23 1.43 1.04 -1.26 -4.93 113.70 117.86 2qrw s SER 4 Ca 0.03 1.94 -0.06 0.00 0.48 0.00 0.00 55.95 58.34 2qrw s SER 4 Cb -0.13 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.79 2qrw s SER 4 CO -0.11 -0.76 1.76 0.15 0.98 0.00 0.00 173.24 175.26 2qrw h PHE 5 N 1.62 0.55 -0.18 5.02 3.57 -1.92 -1.24 116.94 124.36 2qrw h PHE 5 Ca -0.49 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.09 2qrw h PHE 5 Cb 1.22 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 2qrw h PHE 5 CO 0.57 0.15 -0.33 -0.92 -2.23 0.00 0.00 178.31 175.54 2qrw h TYR 6 N 0.52 -0.93 -0.70 0.41 3.20 -1.55 -1.59 116.97 116.32 2qrw h TYR 6 Ca 0.36 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 2qrw h TYR 6 Cb 0.46 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2qrw h TYR 6 CO -0.14 -0.40 0.25 -0.44 -1.64 0.00 0.00 178.16 175.79 2qrw h ASP 7 N -0.38 0.98 -0.32 -2.11 3.32 -1.80 0.22 116.42 116.32 2qrw h ASP 7 Ca 0.11 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2qrw h ASP 7 Cb 0.55 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2qrw h ASP 7 CO -0.40 0.89 0.19 0.00 -1.72 0.00 0.00 179.24 178.21 2qrw h ALA 8 N 1.24 1.70 -0.67 3.45 0.00 -0.44 -2.45 119.26 122.08 2qrw h ALA 8 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qrw h ALA 8 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qrw h ALA 8 CO -0.01 0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.83 2qrw n VAL 9 N -4.45 0.90 -0.03 0.00 0.24 -0.67 -4.87 118.33 109.45 2qrw n VAL 9 Ca 0.02 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2qrw n VAL 9 Cb 0.09 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2qrw n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qrw n GLY 10 N 1.57 0.84 7.00 7.63 0.00 -0.92 -4.60 105.19 116.72 2qrw n GLY 10 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2qrw n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrw n GLY 11 N -2.02 2.97 0.27 -0.02 0.00 0.75 -3.61 105.19 103.53 2qrw n GLY 11 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 46.02 45.70 2qrw n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qrw h ALA 12 N -0.98 1.02 -0.88 4.61 0.00 -1.96 -1.81 119.26 119.26 2qrw h ALA 12 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qrw h ALA 12 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2qrw h ALA 12 CO 0.00 -0.19 0.50 -0.22 0.00 0.00 0.00 179.25 179.34 2qrw h LYS 13 N 0.45 1.21 -0.11 0.00 3.64 -1.97 0.17 116.57 119.96 2qrw h LYS 13 Ca 0.40 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2qrw h LYS 13 Cb 0.57 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2qrw h LYS 13 CO -0.38 0.87 -0.09 1.15 -2.27 0.00 0.00 179.45 178.73 2qrw h THR 14 N 1.22 1.34 -0.30 1.00 2.02 -1.42 -1.89 112.91 114.88 2qrw h THR 14 Ca 0.31 -1.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 2qrw h THR 14 Cb -0.00 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2qrw h THR 14 CO -0.05 0.34 -0.11 -0.26 0.37 0.00 0.00 175.52 175.81 2qrw h PHE 15 N -0.12 0.54 -0.26 3.16 0.04 -1.24 -1.02 116.94 118.04 2qrw h PHE 15 Ca 0.02 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 2qrw h PHE 15 Cb 0.58 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2qrw h PHE 15 CO 0.08 0.60 0.15 0.22 -0.60 0.00 0.00 178.31 178.76 2qrw h ASP 16 N 0.47 0.33 -0.15 2.17 1.82 -0.95 -1.93 116.42 118.17 2qrw h ASP 16 Ca 0.09 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2qrw h ASP 16 Cb 0.48 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 2qrw h ASP 16 CO 0.03 0.31 0.09 0.00 -1.61 0.00 0.00 179.24 178.06 2qrw h ALA 17 N 1.03 0.19 0.14 -0.78 0.00 -0.92 -0.65 119.26 118.27 2qrw h ALA 17 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qrw h ALA 17 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qrw h ALA 17 CO -0.02 -0.33 -0.10 0.82 0.00 0.00 0.00 179.25 179.62 2qrw h ILE 18 N 0.19 0.79 -0.39 0.00 2.04 -1.16 -0.57 117.51 118.41 2qrw h ILE 18 Ca 0.06 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 2qrw h ILE 18 Cb -0.01 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2qrw h ILE 18 CO -0.02 0.00 -0.24 0.58 0.00 0.00 0.00 178.15 178.46 2qrw h VAL 19 N -0.24 1.28 -0.06 1.67 2.07 -1.30 0.12 116.25 119.78 2qrw h VAL 19 Ca -0.01 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2qrw h VAL 19 Cb 0.21 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2qrw h VAL 19 CO 0.00 0.47 0.03 -1.28 0.02 0.00 0.00 177.57 176.81 2qrw h SER 20 N 0.66 0.04 -0.04 0.57 0.87 -1.07 -0.47 113.55 114.09 2qrw h SER 20 Ca 0.08 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2qrw h SER 20 Cb 0.81 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2qrw h SER 20 CO 0.07 0.03 -0.11 0.03 -0.53 0.00 0.00 176.83 176.32 2qrw h ARG 21 N 0.06 0.33 -0.07 2.24 3.08 -0.90 -1.45 114.38 117.67 2qrw h ARG 21 Ca 0.03 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2qrw h ARG 21 Cb 0.01 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qrw h ARG 21 CO -0.02 0.45 0.02 0.35 -1.07 0.00 0.00 179.97 179.70 2qrw h PHE 22 N 0.31 0.11 -0.03 3.04 3.57 -0.40 -1.61 116.94 121.93 2qrw h PHE 22 Ca 0.06 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2qrw h PHE 22 Cb 0.39 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2qrw h PHE 22 CO 0.01 0.27 -0.21 1.88 -2.23 0.00 0.00 178.31 178.03 2qrw h TYR 23 N -0.08 0.05 -0.30 0.41 0.05 -0.66 0.13 116.97 116.57 2qrw h TYR 23 Ca 0.02 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.67 2qrw h TYR 23 Cb 0.21 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 2qrw h TYR 23 CO -0.00 0.25 -0.33 0.00 -1.05 0.00 0.00 178.16 177.02 2qrw h ALA 24 N 1.75 0.86 -0.49 3.88 0.00 -1.10 -2.52 119.26 121.63 2qrw h ALA 24 Ca 0.01 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2qrw h ALA 24 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2qrw h ALA 24 CO 0.03 0.64 0.08 1.96 0.00 0.00 0.00 179.25 181.95 2qrw h GLN 25 N 0.55 0.81 -0.88 0.00 1.08 -0.26 -3.01 115.11 113.41 2qrw h GLN 25 Ca 0.06 -0.22 0.12 0.00 -1.45 0.00 0.00 58.65 57.16 2qrw h GLN 25 Cb 0.84 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 28.09 2qrw h GLN 25 CO 0.07 0.81 0.50 0.28 -0.95 0.00 0.00 178.83 179.54 2qrw h VAL 26 N 0.68 0.85 -0.22 -0.54 2.07 -0.88 -1.02 116.25 117.20 2qrw h VAL 26 Ca 0.15 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2qrw h VAL 26 Cb 0.39 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2qrw h VAL 26 CO 0.01 0.14 0.12 0.00 0.02 0.00 0.00 177.57 177.87 2qrw h ALA 27 N 1.51 1.81 -0.12 1.67 0.00 -1.31 -1.55 119.26 121.27 2qrw h ALA 27 Ca 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2qrw h ALA 27 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qrw h ALA 27 CO -0.29 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.51 2qrw n GLU 28 N -4.48 2.15 -3.15 0.00 1.02 -0.47 -4.81 120.64 110.89 2qrw n GLU 28 Ca 0.00 -1.69 -0.40 0.00 -0.02 0.00 0.00 57.16 55.05 2qrw n GLU 28 Cb 0.09 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 29.97 2qrw n GLU 28 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qrw s ASP 29 N -1.84 6.53 0.45 1.62 2.15 -0.59 -4.96 116.67 120.03 2qrw s ASP 29 Ca 0.33 0.65 0.12 0.00 0.43 0.00 0.00 52.55 54.08 2qrw s ASP 29 Cb 0.21 -2.32 1.04 0.00 -0.30 0.00 0.00 42.92 41.54 2qrw s ASP 29 CO 0.31 -0.34 2.05 -0.33 -0.17 0.00 0.00 175.17 176.69 2qrw h GLU 30 N 7.91 0.34 0.00 4.34 3.07 -1.91 0.21 114.58 128.55 2qrw h GLU 30 Ca -0.28 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.56 2qrw h GLU 30 Cb 1.13 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2qrw h GLU 30 CO 0.75 0.22 -0.00 0.28 -1.40 0.00 0.00 179.01 178.87 2qrw h VAL 31 N 0.35 1.25 0.00 3.13 2.07 -1.93 -3.41 116.25 117.71 2qrw h VAL 31 Ca 0.16 -1.94 -0.18 0.00 0.82 0.00 0.00 66.70 65.56 2qrw h VAL 31 Cb 0.19 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2qrw h VAL 31 CO -0.04 0.42 -0.85 -0.07 0.02 0.00 0.00 177.57 177.05 2qrw h LEU 32 N -1.00 0.00 -1.57 2.57 3.38 -1.78 -2.92 115.31 114.00 2qrw h LEU 32 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qrw h LEU 32 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2qrw h LEU 32 CO 0.00 0.85 0.00 0.08 0.09 0.00 0.00 178.44 179.46 2qrw h ARG 33 N 0.00 0.00 -0.01 1.13 0.11 -0.85 0.11 114.38 114.87 2qrw h ARG 33 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2qrw h ARG 33 Cb 1.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.61 2qrw h ARG 33 CO 0.11 0.00 -0.45 -2.13 0.10 0.00 0.00 179.97 177.60 2qrw n ARG 34 N -2.36 0.67 -0.08 0.08 3.00 -1.10 -4.44 116.66 112.43 2qrw n ARG 34 Ca -0.01 -0.47 -0.15 0.00 -0.00 0.00 0.00 57.85 57.22 2qrw n ARG 34 Cb 0.06 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 30.96 2qrw n ARG 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qrw n VAL 35 N -0.76 0.90 -2.30 5.15 0.31 0.35 -5.02 118.33 116.97 2qrw n VAL 35 Ca 0.09 -0.27 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 2qrw n VAL 35 Cb 0.37 -1.49 -0.00 0.00 -0.91 0.00 0.00 33.84 31.81 2qrw n VAL 35 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2qrw s TYR 36 N -2.31 2.75 -0.32 3.52 1.51 -1.04 -4.92 117.35 116.55 2qrw s TYR 36 Ca -0.22 1.55 -0.29 0.00 -1.01 0.00 0.00 57.07 57.10 2qrw s TYR 36 Cb 0.08 -3.23 -0.01 0.00 -0.11 0.00 0.00 41.96 38.69 2qrw s TYR 36 CO 0.31 -1.40 1.47 -1.25 -1.11 0.00 0.00 175.55 173.58 2qrw s PRO 37 N -3.32 3.71 0.52 -1.71 0.04 -1.26 -4.86 135.00 128.12 2qrw s PRO 37 Ca 0.71 1.27 0.23 0.00 0.04 0.00 0.00 61.00 63.25 2qrw s PRO 37 Cb -0.22 -4.00 1.42 0.00 0.04 0.00 0.00 34.50 31.74 2qrw s PRO 37 CO 0.26 -1.39 2.12 1.05 0.04 0.00 0.00 177.00 179.08 2qrw h GLU 38 N 10.52 0.00 -0.70 4.56 -0.00 -1.91 -2.17 114.58 124.87 2qrw h GLU 38 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 2qrw h GLU 38 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 2qrw h GLU 38 CO 1.04 0.08 0.00 -0.40 -0.00 0.00 0.00 179.01 179.73 2qrw n ASP 39 N -4.05 3.77 -1.19 3.06 3.85 -1.26 -4.38 116.55 116.34 2qrw n ASP 39 Ca -0.03 -2.00 0.02 0.00 -0.71 0.00 0.00 54.79 52.07 2qrw n ASP 39 Cb 0.16 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 2qrw n ASP 39 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 2qrw n ASP 40 N 1.56 0.52 0.18 -1.12 2.03 -0.82 -4.93 116.55 113.98 2qrw n ASP 40 Ca 0.24 -1.96 0.03 0.00 0.52 0.00 0.00 54.79 53.62 2qrw n ASP 40 Cb 0.59 -0.20 0.35 0.00 -0.72 0.00 0.00 41.12 41.14 2qrw n ASP 40 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qrw h LEU 41 N 0.64 0.00 -0.12 -2.67 3.38 -1.75 -1.80 115.31 112.98 2qrw h LEU 41 Ca -0.21 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 2qrw h LEU 41 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2qrw h LEU 41 CO 0.03 0.40 -0.45 0.00 0.09 0.00 0.00 178.44 178.52 2qrw h ALA 42 N 1.60 0.22 -0.33 1.53 0.00 -1.92 -1.47 119.26 118.90 2qrw h ALA 42 Ca -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 2qrw h ALA 42 Cb 0.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2qrw h ALA 42 CO 0.05 0.36 -0.33 0.78 0.00 0.00 0.00 179.25 180.11 2qrw h GLY 43 N 0.13 0.79 0.96 0.00 0.00 -1.93 -1.94 103.07 101.08 2qrw h GLY 43 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 47.33 46.57 2qrw h GLY 43 CO 0.09 0.68 0.13 0.00 0.00 0.00 0.00 176.54 177.44 2qrw h ALA 44 N 1.02 0.27 -0.67 3.60 0.00 -1.33 -0.52 119.26 121.63 2qrw h ALA 44 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qrw h ALA 44 Cb 0.86 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2qrw h ALA 44 CO 0.07 -0.27 0.41 1.49 0.00 0.00 0.00 179.25 180.96 2qrw h GLU 45 N 0.27 0.90 -0.63 0.00 4.81 -1.06 -1.58 114.58 117.29 2qrw h GLU 45 Ca 0.09 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2qrw h GLU 45 Cb -0.01 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2qrw h GLU 45 CO -0.04 0.63 0.20 1.49 -0.73 0.00 0.00 179.01 180.57 2qrw h GLU 46 N 0.91 0.97 -0.72 1.92 4.81 -1.17 -0.79 114.58 120.52 2qrw h GLU 46 Ca 0.24 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2qrw h GLU 46 Cb -0.04 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2qrw h GLU 46 CO -0.05 0.85 0.29 0.00 -0.73 0.00 0.00 179.01 179.37 2qrw h ARG 47 N 0.90 1.07 -0.37 1.92 3.08 -0.81 -1.31 114.38 118.86 2qrw h ARG 47 Ca 0.20 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 2qrw h ARG 47 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2qrw h ARG 47 CO -0.01 0.88 -0.11 1.25 -1.07 0.00 0.00 179.97 180.91 2qrw h LEU 48 N 1.02 0.73 -0.19 3.04 5.85 -1.12 -1.07 115.31 123.57 2qrw h LEU 48 Ca 0.24 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.63 2qrw h LEU 48 Cb 0.21 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2qrw h LEU 48 CO -0.02 0.94 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.86 2qrw h ARG 49 N 0.52 -0.04 -0.91 1.25 2.43 -1.07 -0.95 114.38 115.61 2qrw h ARG 49 Ca 0.09 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2qrw h ARG 49 Cb 0.63 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.14 2qrw h ARG 49 CO 0.04 -0.03 0.60 0.52 -1.51 0.00 0.00 179.97 179.60 2qrw h MET 50 N -0.04 1.19 -0.09 0.20 2.86 -1.12 -0.34 114.93 117.59 2qrw h MET 50 Ca 0.10 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qrw h MET 50 Cb 0.19 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 2qrw h MET 50 CO -0.22 0.79 0.05 0.35 1.06 0.00 0.00 176.91 178.94 2qrw h PHE 51 N 1.23 0.13 -0.40 -0.22 3.57 -0.84 -2.39 116.94 118.02 2qrw h PHE 51 Ca 0.33 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 2qrw h PHE 51 Cb -0.14 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2qrw h PHE 51 CO -0.01 0.19 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.94 2qrw h LEU 52 N 0.04 0.85 -0.67 0.59 3.38 -0.94 0.16 115.31 118.71 2qrw h LEU 52 Ca 0.03 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2qrw h LEU 52 Cb 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2qrw h LEU 52 CO -0.00 1.06 0.42 -0.33 0.09 0.00 0.00 178.44 179.67 2qrw h GLU 53 N 0.72 0.79 -0.16 1.13 5.08 -1.03 -2.55 114.58 118.56 2qrw h GLU 53 Ca 0.09 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2qrw h GLU 53 Cb 0.78 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2qrw h GLU 53 CO 0.06 0.52 -0.05 0.37 -1.00 0.00 0.00 179.01 178.91 2qrw h GLN 54 N 0.82 0.32 -0.78 2.33 4.15 -0.98 0.48 115.11 121.46 2qrw h GLN 54 Ca 0.27 -0.13 0.14 0.00 0.77 0.00 0.00 58.65 59.70 2qrw h GLN 54 Cb 0.02 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 27.60 2qrw h GLN 54 CO -0.11 0.62 0.34 -0.92 -1.93 0.00 0.00 178.83 176.83 2qrw h TYR 55 N 0.01 0.59 -0.40 3.99 5.03 -0.53 -1.45 116.97 124.21 2qrw h TYR 55 Ca 0.04 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.38 2qrw h TYR 55 Cb 0.51 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.64 2qrw h TYR 55 CO 0.06 0.11 0.00 0.91 -1.32 0.00 0.00 178.16 177.91 2qrw n TRP 56 N -4.96 0.56 0.00 -3.82 7.02 -0.97 -4.88 117.44 110.39 2qrw n TRP 56 Ca 0.15 -0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 2qrw n TRP 56 Cb 0.41 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 2qrw n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qrw n GLY 57 N 1.11 1.02 0.00 6.99 0.00 -0.55 -1.40 105.19 112.37 2qrw n GLY 57 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qrw n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qrw n GLY 58 N -1.93 1.19 3.69 -0.02 0.00 0.17 -4.81 105.19 103.48 2qrw n GLY 58 Ca 0.00 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 2qrw n GLY 58 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qrw n PRO 59 N 0.00 1.74 -1.16 1.61 -0.02 -1.26 -4.62 135.00 131.29 2qrw n PRO 59 Ca 0.00 0.63 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 2qrw n PRO 59 Cb 0.00 -2.38 0.17 0.00 -0.02 0.00 0.00 33.50 31.27 2qrw n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qrw n ARG 60 N -0.28 2.19 -0.21 -0.52 1.74 -1.26 -3.35 116.66 114.97 2qrw n ARG 60 Ca 0.08 -2.84 -0.02 0.00 -0.77 0.00 0.00 57.85 54.31 2qrw n ARG 60 Cb 0.41 -2.11 0.18 0.00 -1.02 0.00 0.00 32.46 29.92 2qrw n ARG 60 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2qrw h THR 61 N 0.96 1.22 -0.32 0.55 2.02 -1.90 -3.00 112.91 112.45 2qrw h THR 61 Ca 0.60 -0.61 0.07 0.00 0.77 0.00 0.00 66.41 67.24 2qrw h THR 61 Cb 2.76 0.31 -0.08 0.00 -1.74 0.00 0.00 68.15 69.40 2qrw h THR 61 CO 1.04 0.26 -0.26 0.22 0.37 0.00 0.00 175.52 177.15 2qrw h TYR 62 N 1.00 -0.70 -0.35 3.16 3.20 -1.80 -0.80 116.97 120.68 2qrw h TYR 62 Ca 0.25 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2qrw h TYR 62 Cb 0.09 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2qrw h TYR 62 CO 0.01 -0.34 0.07 0.66 -1.64 0.00 0.00 178.16 176.92 2qrw h SER 63 N -0.23 0.48 -0.39 -2.11 4.64 -1.71 0.26 113.55 114.48 2qrw h SER 63 Ca 0.16 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2qrw h SER 63 Cb 0.48 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2qrw h SER 63 CO -0.45 0.50 -0.14 -0.33 -0.87 0.00 0.00 176.83 175.53 2qrw h GLU 64 N 0.51 0.78 0.10 4.77 5.08 -1.30 -0.82 114.58 123.70 2qrw h GLU 64 Ca 0.12 -0.32 -0.26 0.00 -1.00 0.00 0.00 59.36 57.89 2qrw h GLU 64 Cb 0.22 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2qrw h GLU 64 CO -0.00 0.94 -1.21 1.96 -1.00 0.00 0.00 179.01 179.70 2qrw h GLN 65 N 0.58 0.21 0.00 2.33 1.08 -0.73 -3.40 115.11 115.18 2qrw h GLN 65 Ca 0.09 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2qrw h GLN 65 Cb 0.68 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2qrw h GLN 65 CO 0.05 1.16 0.00 0.54 -0.95 0.00 0.00 178.83 179.63 2qrw n ARG 66 N -3.48 4.58 0.00 1.46 5.12 0.87 -5.10 116.66 120.10 2qrw n ARG 66 Ca -0.07 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2qrw n ARG 66 Cb 1.01 -0.54 0.00 0.00 -1.16 0.00 0.00 32.46 31.77 2qrw n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qrw n GLY 67 N 0.68 -0.88 3.72 -0.13 0.00 -0.31 -4.78 105.19 103.49 2qrw n GLY 67 Ca 0.00 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 2qrw n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qrw n HIS 68 N 0.00 2.23 -0.32 1.61 8.25 -1.26 -4.30 115.22 121.43 2qrw n HIS 68 Ca 0.00 0.46 0.04 0.00 -0.26 0.00 0.00 57.72 57.96 2qrw n HIS 68 Cb 0.00 -2.38 0.19 0.00 1.12 0.00 0.00 29.99 28.92 2qrw n HIS 68 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2qrw h PRO 69 N 1.83 0.84 -6.81 -0.41 0.11 -1.96 -3.46 132.00 122.14 2qrw h PRO 69 Ca -0.49 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 65.00 2qrw h PRO 69 Cb 1.30 -0.19 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 2qrw h PRO 69 CO 0.59 0.56 -0.96 0.54 -0.21 0.00 0.00 178.00 178.51 2qrw n ARG 70 N -4.70 -1.31 -0.01 1.05 1.74 -1.26 -4.74 116.66 107.43 2qrw n ARG 70 Ca 0.15 0.20 -0.03 0.00 -0.77 0.00 0.00 57.85 57.40 2qrw n ARG 70 Cb 0.30 -3.55 0.21 0.00 -1.02 0.00 0.00 32.46 28.39 2qrw n ARG 70 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2qrw h LEU 71 N -2.06 0.55 -0.24 0.55 3.38 -1.98 -1.09 115.31 114.41 2qrw h LEU 71 Ca -0.67 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.19 2qrw h LEU 71 Cb 1.39 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2qrw h LEU 71 CO 0.61 0.73 -0.06 0.03 0.09 0.00 0.00 178.44 179.84 2qrw h ARG 72 N 0.50 -0.00 -0.16 1.13 2.47 -1.94 0.62 114.38 117.01 2qrw h ARG 72 Ca 0.09 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.66 2qrw h ARG 72 Cb 0.58 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2qrw h ARG 72 CO 0.04 -0.00 -0.50 0.52 0.56 0.00 0.00 179.97 180.58 2qrw h MET 73 N -0.00 0.43 0.00 0.04 2.86 -1.81 -0.95 114.93 115.50 2qrw h MET 73 Ca 0.12 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2qrw h MET 73 Cb 0.18 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2qrw h MET 73 CO -0.25 0.84 -0.25 0.00 1.06 0.00 0.00 176.91 178.31 2qrw h ARG 74 N 0.34 0.00 -0.01 1.72 3.08 -0.85 -2.47 114.38 116.18 2qrw h ARG 74 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2qrw h ARG 74 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 2qrw h ARG 74 CO 0.09 0.25 -0.27 0.72 -1.07 0.00 0.00 179.97 179.69 2qrw n HIS 75 N -3.81 0.00 -0.20 3.04 8.25 0.18 -4.41 115.22 118.27 2qrw n HIS 75 Ca -0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 2qrw n HIS 75 Cb 0.34 -0.05 0.40 0.00 1.12 0.00 0.00 29.99 31.80 2qrw n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qrw h ALA 76 N 3.97 1.84 0.00 -1.41 0.00 -0.69 -1.05 119.26 121.92 2qrw h ALA 76 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qrw h ALA 76 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qrw h ALA 76 CO 0.00 -0.01 0.00 -2.30 0.00 0.00 0.00 179.25 176.94 2qrw n PRO 77 N -4.51 0.10 -4.57 0.00 -0.02 -1.26 -4.70 135.00 120.05 2qrw n PRO 77 Ca 0.14 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 2qrw n PRO 77 Cb 0.37 -1.78 -0.12 0.00 -0.02 0.00 0.00 33.50 31.95 2qrw n PRO 77 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qrw s PHE 78 N -3.31 2.71 -0.66 6.00 0.40 -0.40 -5.07 117.98 117.65 2qrw s PHE 78 Ca 0.01 -0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 55.95 2qrw s PHE 78 Cb 0.06 -1.53 0.07 0.00 0.51 0.00 0.00 43.02 42.13 2qrw s PHE 78 CO 0.20 0.31 0.96 1.03 0.70 0.00 0.00 175.22 178.42 2qrw s ARG 79 N -1.45 3.12 -0.39 0.44 0.52 -1.26 -4.91 118.95 115.02 2qrw s ARG 79 Ca 0.16 -0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 2qrw s ARG 79 Cb -0.11 -4.22 0.04 0.00 0.52 0.00 0.00 34.95 31.18 2qrw s ARG 79 CO 0.06 -1.81 0.22 0.42 0.02 0.00 0.00 175.30 174.21 2qrw s ILE 80 N 4.07 4.48 0.44 1.52 1.01 -1.26 -4.92 121.20 126.54 2qrw s ILE 80 Ca 0.22 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.92 2qrw s ILE 80 Cb -0.17 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.79 2qrw s ILE 80 CO 0.10 -0.30 0.35 -1.54 0.00 0.00 0.00 174.94 173.55 2qrw n SER 81 N 4.98 2.35 -0.01 3.58 3.41 -1.25 -0.23 113.62 126.45 2qrw n SER 81 Ca -0.11 -2.49 0.15 0.00 -0.26 0.00 0.00 58.87 56.15 2qrw n SER 81 Cb 0.45 -0.06 0.60 0.00 -0.26 0.00 0.00 64.21 64.94 2qrw n SER 81 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qrw h LEU 82 N 0.00 0.17 0.02 1.04 3.38 -1.88 -1.12 115.31 116.92 2qrw h LEU 82 Ca -0.27 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2qrw h LEU 82 Cb 1.02 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2qrw h LEU 82 CO 0.43 0.10 -0.18 0.40 0.09 0.00 0.00 178.44 179.28 2qrw h ILE 83 N 0.18 0.58 -0.34 1.22 1.08 -1.95 0.78 117.51 119.06 2qrw h ILE 83 Ca 0.24 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.55 2qrw h ILE 83 Cb 0.69 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 2qrw h ILE 83 CO -0.04 0.00 -0.39 -0.33 -0.69 0.00 0.00 178.15 176.70 2qrw h GLU 84 N -0.30 0.82 -0.35 2.37 3.07 -1.79 -1.57 114.58 116.83 2qrw h GLU 84 Ca 0.05 -0.43 0.03 0.00 -0.50 0.00 0.00 59.36 58.51 2qrw h GLU 84 Cb 0.36 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 2qrw h GLU 84 CO -0.16 1.06 0.14 -0.09 -1.40 0.00 0.00 179.01 178.57 2qrw h ARG 85 N 0.67 0.30 -0.48 2.33 2.43 -1.09 0.18 114.38 118.72 2qrw h ARG 85 Ca 0.05 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2qrw h ARG 85 Cb 0.96 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2qrw h ARG 85 CO 0.09 0.20 -0.12 -0.44 -1.51 0.00 0.00 179.97 178.19 2qrw h ASP 86 N 0.31 0.94 -0.48 -3.80 3.32 -0.73 -1.77 116.42 114.20 2qrw h ASP 86 Ca 0.15 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2qrw h ASP 86 Cb 0.10 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2qrw h ASP 86 CO -0.13 1.08 0.27 0.00 -1.72 0.00 0.00 179.24 178.73 2qrw h ALA 87 N 0.89 0.61 -0.27 3.45 0.00 -1.13 -0.37 119.26 122.43 2qrw h ALA 87 Ca 0.12 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2qrw h ALA 87 Cb 0.67 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2qrw h ALA 87 CO 0.05 0.13 0.05 0.35 0.00 0.00 0.00 179.25 179.83 2qrw h PHE 88 N 0.63 0.09 -0.60 0.00 3.57 -0.82 -1.40 116.94 118.41 2qrw h PHE 88 Ca 0.17 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2qrw h PHE 88 Cb 0.04 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2qrw h PHE 88 CO -0.02 0.02 0.12 -0.07 -2.23 0.00 0.00 178.31 176.13 2qrw h LEU 89 N 0.15 0.90 -0.07 0.59 3.38 -1.15 -0.85 115.31 118.27 2qrw h LEU 89 Ca 0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2qrw h LEU 89 Cb 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qrw h LEU 89 CO -0.16 0.89 0.04 0.03 0.09 0.00 0.00 178.44 179.32 2qrw h ARG 90 N 0.90 0.09 -0.42 1.13 3.08 -0.72 0.16 114.38 118.60 2qrw h ARG 90 Ca 0.19 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2qrw h ARG 90 Cb 0.36 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 2qrw h ARG 90 CO 0.00 0.10 0.21 0.00 -1.07 0.00 0.00 179.97 179.22 2qrw h MET 92 N 0.43 0.89 -0.82 0.00 2.86 -0.97 -1.37 114.93 115.95 2qrw h MET 92 Ca 0.18 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2qrw h MET 92 Cb 0.08 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2qrw h MET 92 CO -0.12 0.59 0.44 0.45 1.06 0.00 0.00 176.91 179.33 2qrw h HIS 93 N 0.91 1.14 -0.25 -0.22 -0.00 -0.36 0.21 115.15 116.58 2qrw h HIS 93 Ca 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.58 2qrw h HIS 93 Cb -0.10 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 26.93 2qrw h HIS 93 CO -0.03 0.80 0.12 1.15 -0.00 0.00 0.00 177.93 179.97 2qrw h THR 94 N 1.15 1.14 -0.36 2.45 2.02 -1.09 -0.20 112.91 118.02 2qrw h THR 94 Ca 0.29 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2qrw h THR 94 Cb 0.04 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2qrw h THR 94 CO -0.05 0.14 0.19 0.00 0.37 0.00 0.00 175.52 176.17 2qrw h ALA 95 N 0.99 0.46 -0.47 6.16 0.00 -0.69 -2.67 119.26 123.04 2qrw h ALA 95 Ca 0.09 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2qrw h ALA 95 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2qrw h ALA 95 CO -0.01 -0.00 -0.12 0.28 0.00 0.00 0.00 179.25 179.39 2qrw h VAL 96 N 0.45 1.26 0.00 0.00 2.07 -0.56 -2.52 116.25 116.95 2qrw h VAL 96 Ca 0.12 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.42 2qrw h VAL 96 Cb 0.08 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2qrw h VAL 96 CO -0.02 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.99 2qrw n ALA 97 N -2.49 1.46 0.80 1.67 0.00 -0.09 -1.80 120.51 120.05 2qrw n ALA 97 Ca 0.01 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.71 2qrw n ALA 97 Cb 0.39 -1.37 0.43 0.00 0.00 0.00 0.00 19.45 18.90 2qrw n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qrw n SER 98 N -2.26 0.46 -4.74 0.00 3.41 -0.95 -4.78 113.62 104.76 2qrw n SER 98 Ca 0.01 0.38 -0.39 0.00 -0.26 0.00 0.00 58.87 58.61 2qrw n SER 98 Cb 0.17 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 2qrw n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qrw s ILE 99 N -3.06 4.85 0.72 -1.33 -1.09 -0.75 -5.05 121.20 115.50 2qrw s ILE 99 Ca 0.11 1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 59.89 2qrw s ILE 99 Cb 0.16 -4.04 0.02 0.00 -1.58 0.00 0.00 42.46 37.02 2qrw s ILE 99 CO 0.60 0.36 1.07 1.51 -1.23 0.00 0.00 174.94 177.25 2qrw s ASP 100 N 0.08 5.17 0.09 3.58 1.47 -1.26 -4.83 116.67 120.97 2qrw s ASP 100 Ca 0.36 1.54 0.26 0.00 1.18 0.00 0.00 52.55 55.89 2qrw s ASP 100 Cb -0.19 -2.38 1.01 0.00 -0.34 0.00 0.00 42.92 41.01 2qrw s ASP 100 CO 0.20 -1.56 1.81 -1.54 0.68 0.00 0.00 175.17 174.75 2qrw n SER 101 N -3.20 0.32 0.08 2.11 3.41 -1.26 -1.49 113.62 113.59 2qrw n SER 101 Ca 0.07 0.54 -0.10 0.00 -0.26 0.00 0.00 58.87 59.12 2qrw n SER 101 Cb 0.54 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.78 2qrw n SER 101 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qrw h GLU 102 N 0.00 0.13 0.01 4.33 5.08 -1.98 -3.17 114.58 118.98 2qrw h GLU 102 Ca 0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2qrw h GLU 102 Cb 0.54 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2qrw h GLU 102 CO 0.00 1.04 -0.17 1.15 -1.00 0.00 0.00 179.01 180.03 2qrw h THR 103 N 0.05 1.62 -3.46 1.13 2.02 -1.84 -3.42 112.91 109.01 2qrw h THR 103 Ca -0.06 -2.04 -0.64 0.00 0.77 0.00 0.00 66.41 64.45 2qrw h THR 103 Cb 1.74 2.96 -0.40 0.00 -1.74 0.00 0.00 68.15 70.71 2qrw h THR 103 CO 0.15 0.55 -0.70 -0.22 0.37 0.00 0.00 175.52 175.66 2qrw s LEU 104 N -8.45 4.07 0.91 2.58 2.96 -0.56 -4.39 118.68 115.81 2qrw s LEU 104 Ca -0.17 -2.34 -0.12 0.00 -0.22 0.00 0.00 54.13 51.27 2qrw s LEU 104 Cb -0.00 -1.46 0.14 0.00 0.50 0.00 0.00 46.19 45.36 2qrw s LEU 104 CO 0.72 -0.34 1.13 1.51 -1.32 0.00 0.00 176.35 178.06 2qrw s ASP 105 N 0.65 3.50 0.23 3.68 1.47 -1.20 -4.19 116.67 120.83 2qrw s ASP 105 Ca 0.13 1.00 -0.06 0.00 1.18 0.00 0.00 52.55 54.79 2qrw s ASP 105 Cb -0.21 -1.59 0.31 0.00 -0.34 0.00 0.00 42.92 41.09 2qrw s ASP 105 CO -0.08 -2.56 1.84 0.44 0.68 0.00 0.00 175.17 175.50 2qrw h ASP 106 N -1.50 0.79 0.22 2.11 3.32 -1.99 0.13 116.42 119.50 2qrw h ASP 106 Ca -0.51 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.39 2qrw h ASP 106 Cb 1.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2qrw h ASP 106 CO 0.62 0.51 -0.66 1.05 -1.72 0.00 0.00 179.24 179.03 2qrw h GLU 107 N 0.92 0.41 -0.14 3.56 4.11 -1.99 -0.78 114.58 120.67 2qrw h GLU 107 Ca 0.36 -0.30 -0.19 0.00 0.07 0.00 0.00 59.36 59.29 2qrw h GLU 107 Cb 0.16 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2qrw h GLU 107 CO -0.17 0.93 -0.69 0.45 0.07 0.00 0.00 179.01 179.60 2qrw h HIS 108 N 0.29 0.76 -0.24 2.06 3.86 -1.79 -1.84 115.15 118.26 2qrw h HIS 108 Ca -0.02 -0.32 0.02 0.00 -1.16 0.00 0.00 60.37 58.90 2qrw h HIS 108 Cb 1.21 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 2qrw h HIS 108 CO 0.04 1.09 0.09 -0.09 0.86 0.00 0.00 177.93 179.93 2qrw h ARG 109 N 0.41 0.20 -0.55 2.45 2.43 -0.65 -0.79 114.38 117.88 2qrw h ARG 109 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2qrw h ARG 109 Cb 1.27 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2qrw h ARG 109 CO 0.13 0.13 0.26 -0.09 -1.51 0.00 0.00 179.97 178.89 2qrw h ARG 110 N 0.21 0.81 -0.54 0.20 2.43 -1.09 -1.43 114.38 114.95 2qrw h ARG 110 Ca 0.10 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qrw h ARG 110 Cb 0.06 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 2qrw h ARG 110 CO -0.10 0.67 0.32 1.49 -1.51 0.00 0.00 179.97 180.85 2qrw h GLU 111 N 0.75 0.74 -0.23 0.20 4.81 -1.09 -0.27 114.58 119.49 2qrw h GLU 111 Ca 0.19 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2qrw h GLU 111 Cb 0.13 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2qrw h GLU 111 CO -0.02 0.54 0.10 1.25 -0.73 0.00 0.00 179.01 180.15 2qrw h LEU 112 N 0.73 0.31 -0.81 1.64 5.85 -0.95 -1.28 115.31 120.80 2qrw h LEU 112 Ca 0.19 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2qrw h LEU 112 Cb -0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2qrw h LEU 112 CO -0.04 0.37 0.04 -0.07 -0.34 0.00 0.00 178.44 178.40 2qrw h LEU 113 N 0.23 0.90 -0.62 2.25 3.38 -1.16 -0.91 115.31 119.38 2qrw h LEU 113 Ca 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2qrw h LEU 113 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2qrw h LEU 113 CO -0.01 0.93 0.22 0.44 0.09 0.00 0.00 178.44 180.12 2qrw h ASP 114 N 0.87 0.87 -0.13 -0.43 3.32 -0.91 -0.44 116.42 119.58 2qrw h ASP 114 Ca 0.17 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qrw h ASP 114 Cb 0.46 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2qrw h ASP 114 CO 0.02 0.83 0.07 0.22 -1.72 0.00 0.00 179.24 178.65 2qrw h TYR 115 N 0.87 0.17 -0.77 4.55 5.03 -0.93 -1.99 116.97 123.91 2qrw h TYR 115 Ca 0.20 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.48 2qrw h TYR 115 Cb 0.25 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.43 2qrw h TYR 115 CO 0.02 0.19 0.37 -0.07 -1.32 0.00 0.00 178.16 177.35 2qrw h LEU 116 N 0.11 1.00 -0.01 2.82 3.38 -0.88 -0.24 115.31 121.48 2qrw h LEU 116 Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qrw h LEU 116 Cb 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2qrw h LEU 116 CO -0.01 0.84 0.01 -0.08 0.09 0.00 0.00 178.44 179.29 2qrw h GLU 117 N 1.09 0.02 0.13 1.13 4.57 -1.02 0.22 114.58 120.73 2qrw h GLU 117 Ca 0.27 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 2qrw h GLU 117 Cb 0.10 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2qrw h GLU 117 CO -0.03 0.08 -0.07 1.98 -1.18 0.00 0.00 179.01 179.79 2qrw h MET 118 N -0.05 -0.18 -0.64 1.92 4.05 -1.00 -2.16 114.93 116.86 2qrw h MET 118 Ca 0.00 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 2qrw h MET 118 Cb 0.07 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 2qrw h MET 118 CO -0.00 -0.12 0.17 0.00 0.23 0.00 0.00 176.91 177.19 2qrw h ALA 119 N 0.68 1.10 -0.34 0.39 0.00 -1.00 -1.30 119.26 118.78 2qrw h ALA 119 Ca -0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2qrw h ALA 119 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qrw h ALA 119 CO 0.02 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.95 2qrw h ALA 120 N 1.23 0.45 -0.91 0.00 0.00 -0.86 -2.55 119.26 116.62 2qrw h ALA 120 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qrw h ALA 120 Cb 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2qrw h ALA 120 CO -0.00 0.14 0.60 1.25 0.00 0.00 0.00 179.25 181.23 2qrw h HIS 121 N 0.40 1.15 0.00 0.00 6.17 -1.13 -1.85 115.15 119.88 2qrw h HIS 121 Ca 0.10 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.21 2qrw h HIS 121 Cb 0.33 -0.39 0.00 0.00 2.52 0.00 0.00 27.41 29.87 2qrw h HIS 121 CO 0.02 0.73 0.00 0.66 0.71 0.00 0.00 177.93 180.05 2qrw h SER 122 N 1.24 0.00 0.00 3.26 4.64 -0.85 -2.66 113.55 119.18 2qrw h SER 122 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2qrw h SER 122 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2qrw h SER 122 CO -0.07 0.00 -0.21 0.18 -0.87 0.00 0.00 176.83 175.85 2qrw n LEU 123 N -2.73 2.27 -4.71 5.97 4.77 -0.70 -4.91 117.00 116.96 2qrw n LEU 123 Ca -0.00 -0.78 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 2qrw n LEU 123 Cb 0.18 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2qrw n LEU 123 CO 0.20 0.40 1.42 -0.69 -1.33 0.00 0.00 177.39 177.38 2qrw s VAL 124 N -2.24 2.27 0.00 4.08 1.01 -1.00 -4.78 120.40 119.74 2qrw s VAL 124 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2qrw s VAL 124 Cb 0.19 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2qrw s VAL 124 CO 0.43 0.00 0.35 -0.46 0.00 0.00 0.00 175.10 175.42 2qrw n ASN 125 N 4.76 0.30 -3.90 3.32 0.23 0.68 -5.02 115.26 115.63 2qrw n ASN 125 Ca 0.17 -1.10 -0.10 0.00 -0.53 0.00 0.00 54.58 53.01 2qrw n ASN 125 Cb 0.37 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.97 2qrw n ASN 125 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2qrw s SER 126 N -0.10 0.09 0.28 0.53 0.01 -0.60 -4.84 113.70 109.08 2qrw s SER 126 Ca 0.00 -0.33 0.25 0.00 1.31 0.00 0.00 55.95 57.18 2qrw s SER 126 Cb 0.00 0.20 0.74 0.00 0.21 0.00 0.00 66.02 67.17 2qrw s SER 126 CO 0.00 -0.41 1.74 1.55 0.41 0.00 0.00 173.24 176.53 2qrw h PRO 127 N 4.11 0.00 0.00 12.44 0.13 -1.98 -3.34 132.00 143.36 2qrw h PRO 127 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2qrw h PRO 127 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qrw h PRO 127 CO 0.43 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.17