#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qrw s SER 4 N 0.00 6.60 0.26 3.14 1.04 -1.26 -4.89 113.70 118.59 2qrw s SER 4 Ca 0.00 1.90 -0.03 0.00 0.48 0.00 0.00 55.95 58.30 2qrw s SER 4 Cb 0.00 -2.56 0.53 0.00 0.10 0.00 0.00 66.02 64.09 2qrw s SER 4 CO 0.00 -0.60 1.67 0.15 0.98 0.00 0.00 173.24 175.44 2qrw h PHE 5 N 1.92 0.28 -0.04 5.02 3.57 -1.93 0.20 116.94 125.96 2qrw h PHE 5 Ca -0.49 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.09 2qrw h PHE 5 Cb 1.21 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 2qrw h PHE 5 CO 0.58 -0.13 -0.18 -0.92 -2.23 0.00 0.00 178.31 175.44 2qrw h TYR 6 N 0.25 -0.47 -0.36 0.41 3.20 -1.41 -1.39 116.97 117.19 2qrw h TYR 6 Ca 0.46 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.31 2qrw h TYR 6 Cb 0.82 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2qrw h TYR 6 CO -0.27 -0.26 0.09 -0.44 -1.64 0.00 0.00 178.16 175.64 2qrw h ASP 7 N -0.28 0.54 -0.98 -2.11 3.32 -1.68 0.38 116.42 115.62 2qrw h ASP 7 Ca 0.07 -0.22 0.20 0.00 0.02 0.00 0.00 57.03 57.09 2qrw h ASP 7 Cb 0.37 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.66 2qrw h ASP 7 CO -0.20 0.63 0.57 0.00 -1.72 0.00 0.00 179.24 178.52 2qrw h ALA 8 N 0.94 1.63 -0.12 3.45 0.00 -0.13 -1.08 119.26 123.96 2qrw h ALA 8 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qrw h ALA 8 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qrw h ALA 8 CO -0.00 -0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.45 2qrw n VAL 9 N -4.83 0.14 0.00 0.00 0.24 -0.57 -4.90 118.33 108.41 2qrw n VAL 9 Ca 0.23 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2qrw n VAL 9 Cb 0.61 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 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 1.18 0.88 7.00 7.63 0.00 -0.41 -4.64 105.19 116.84 2qrw n GLY 10 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.41 2.96 0.27 -0.02 0.00 0.13 -3.57 105.19 103.55 2qrw n GLY 11 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.87 0.98 -0.79 4.61 0.00 -1.96 -1.19 119.26 120.03 2qrw h ALA 12 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2qrw h ALA 12 Cb 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2qrw h ALA 12 CO 0.00 -0.27 0.39 -0.22 0.00 0.00 0.00 179.25 179.15 2qrw h LYS 13 N 0.36 1.14 -0.07 0.00 3.64 -1.97 -0.48 116.57 119.18 2qrw h LYS 13 Ca 0.40 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2qrw h LYS 13 Cb 0.63 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2qrw h LYS 13 CO -0.44 0.87 -0.02 1.15 -2.27 0.00 0.00 179.45 178.75 2qrw h THR 14 N 1.12 1.30 -0.39 1.00 2.02 -1.34 -2.17 112.91 114.44 2qrw h THR 14 Ca 0.27 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.47 2qrw h THR 14 Cb 0.10 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2qrw h THR 14 CO -0.04 0.26 0.04 -0.26 0.37 0.00 0.00 175.52 175.89 2qrw h PHE 15 N -0.20 0.63 -0.63 3.16 -1.00 -1.24 -0.67 116.94 116.98 2qrw h PHE 15 Ca 0.02 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 2qrw h PHE 15 Cb 0.42 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 2qrw h PHE 15 CO 0.05 0.58 0.34 0.22 -1.61 0.00 0.00 178.31 177.89 2qrw h ASP 16 N 0.59 0.79 -0.37 2.17 3.58 -1.05 -1.31 116.42 120.82 2qrw h ASP 16 Ca 0.13 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 2qrw h ASP 16 Cb 0.32 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2qrw h ASP 16 CO 0.01 0.67 -0.06 0.00 -2.88 0.00 0.00 179.24 176.98 2qrw h ALA 17 N 1.16 0.50 0.35 -0.78 0.00 -0.66 0.47 119.26 120.30 2qrw h ALA 17 Ca 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2qrw h ALA 17 Cb 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qrw h ALA 17 CO -0.03 0.33 -0.17 0.82 0.00 0.00 0.00 179.25 180.20 2qrw h ILE 18 N 0.49 0.67 -0.43 0.00 2.04 -1.09 -1.04 117.51 118.15 2qrw h ILE 18 Ca 0.10 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 2qrw h ILE 18 Cb 0.56 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2qrw h ILE 18 CO 0.03 0.05 -0.04 0.58 0.00 0.00 0.00 178.15 178.77 2qrw h VAL 19 N -0.61 1.27 -0.75 1.67 2.07 -1.23 0.21 116.25 118.88 2qrw h VAL 19 Ca -0.05 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.38 2qrw h VAL 19 Cb 0.44 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 2qrw h VAL 19 CO 0.08 0.38 0.49 -1.28 0.02 0.00 0.00 177.57 177.26 2qrw h SER 20 N 0.63 0.83 0.38 0.57 0.87 -0.93 -0.06 113.55 115.84 2qrw h SER 20 Ca 0.12 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.50 2qrw h SER 20 Cb 0.55 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2qrw h SER 20 CO 0.03 0.59 -0.67 0.03 -0.53 0.00 0.00 176.83 176.29 2qrw h ARG 21 N 0.98 0.27 0.09 2.24 3.08 -0.79 -1.82 114.38 118.43 2qrw h ARG 21 Ca 0.28 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 60.14 2qrw h ARG 21 Cb -0.07 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2qrw h ARG 21 CO -0.08 0.84 -0.16 0.35 -1.07 0.00 0.00 179.97 179.85 2qrw h PHE 22 N 0.19 -0.41 -0.23 3.04 3.57 -0.12 -0.70 116.94 122.28 2qrw h PHE 22 Ca -0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2qrw h PHE 22 Cb 1.21 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2qrw h PHE 22 CO 0.03 -0.24 -0.01 1.88 -2.23 0.00 0.00 178.31 177.73 2qrw h TYR 23 N -0.31 0.34 -0.63 0.41 0.05 -0.83 0.13 116.97 116.13 2qrw h TYR 23 Ca 0.02 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2qrw h TYR 23 Cb 0.33 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2qrw h TYR 23 CO -0.17 0.37 0.33 0.00 -1.05 0.00 0.00 178.16 177.64 2qrw h ALA 24 N 1.66 0.80 -0.34 3.88 0.00 -1.08 -2.21 119.26 121.97 2qrw h ALA 24 Ca 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2qrw h ALA 24 Cb 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qrw h ALA 24 CO 0.01 0.34 0.08 1.96 0.00 0.00 0.00 179.25 181.63 2qrw h GLN 25 N 0.85 0.55 -0.81 0.00 1.08 0.34 -2.99 115.11 114.13 2qrw h GLN 25 Ca 0.22 -0.14 0.19 0.00 -1.45 0.00 0.00 58.65 57.48 2qrw h GLN 25 Cb 0.07 -0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 27.30 2qrw h GLN 25 CO -0.03 0.61 0.19 0.28 -0.95 0.00 0.00 178.83 178.93 2qrw h VAL 26 N 0.39 0.42 0.00 -0.54 2.07 -0.69 0.01 116.25 117.91 2qrw h VAL 26 Ca 0.11 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2qrw h VAL 26 Cb 0.31 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2qrw h VAL 26 CO 0.00 0.04 -0.09 0.00 0.02 0.00 0.00 177.57 177.54 2qrw h ALA 27 N 1.69 1.67 -0.02 1.67 0.00 -1.25 -1.18 119.26 121.84 2qrw h ALA 27 Ca 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2qrw h ALA 27 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2qrw h ALA 27 CO -0.59 0.12 -0.04 0.39 0.00 0.00 0.00 179.25 179.13 2qrw n GLU 28 N -4.17 2.03 -3.21 0.00 -0.58 -0.10 -4.84 120.64 109.76 2qrw n GLU 28 Ca -0.03 -1.57 -0.40 0.00 -0.42 0.00 0.00 57.16 54.75 2qrw n GLU 28 Cb 0.17 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 2qrw n GLU 28 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2qrw s ASP 29 N -2.05 6.50 0.50 1.62 2.15 -0.45 -4.95 116.67 120.00 2qrw s ASP 29 Ca 0.30 0.60 0.27 0.00 0.43 0.00 0.00 52.55 54.15 2qrw s ASP 29 Cb 0.20 -2.30 1.33 0.00 -0.30 0.00 0.00 42.92 41.86 2qrw s ASP 29 CO 0.34 -0.28 2.01 1.05 -0.17 0.00 0.00 175.17 178.12 2qrw h GLU 30 N 7.86 0.00 0.00 4.34 9.09 -1.91 -1.19 114.58 132.77 2qrw h GLU 30 Ca -0.30 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.10 2qrw h GLU 30 Cb 1.14 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.24 2qrw h GLU 30 CO 0.73 0.14 -0.10 0.28 0.05 0.00 0.00 179.01 180.12 2qrw h VAL 31 N 0.00 1.39 0.00 -1.06 2.07 -1.92 -3.41 116.25 113.32 2qrw h VAL 31 Ca -0.00 -2.08 -0.10 0.00 0.82 0.00 0.00 66.70 65.34 2qrw h VAL 31 Cb 0.44 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 2qrw h VAL 31 CO 0.02 0.47 -0.64 -0.07 0.02 0.00 0.00 177.57 177.37 2qrw h LEU 32 N -1.00 0.00 -2.33 2.57 3.38 -1.77 -3.22 115.31 112.94 2qrw h LEU 32 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qrw h LEU 32 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2qrw h LEU 32 CO -0.02 0.42 0.05 0.08 0.09 0.00 0.00 178.44 179.06 2qrw h ARG 33 N 0.00 0.00 0.00 1.13 0.11 -1.20 0.48 114.38 114.89 2qrw h ARG 33 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2qrw h ARG 33 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2qrw h ARG 33 CO 0.05 0.00 -0.32 0.54 0.10 0.00 0.00 179.97 180.34 2qrw n ARG 34 N -3.98 0.02 -0.13 0.08 5.12 -1.22 -4.28 116.66 112.28 2qrw n ARG 34 Ca -0.02 0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.65 2qrw n ARG 34 Cb 0.14 -1.52 -0.11 0.00 -1.16 0.00 0.00 32.46 29.82 2qrw n ARG 34 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2qrw n VAL 35 N -1.55 1.54 -2.15 1.55 0.31 0.12 -4.96 118.33 113.19 2qrw n VAL 35 Ca 0.06 -0.39 -0.34 0.00 -0.01 0.00 0.00 64.34 63.66 2qrw n VAL 35 Cb 0.34 -1.80 0.01 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.49 2.80 -0.27 3.52 1.51 -1.00 -4.93 117.35 116.48 2qrw s TYR 36 Ca -0.36 1.54 -0.29 0.00 -1.01 0.00 0.00 57.07 56.96 2qrw s TYR 36 Cb 0.12 -3.15 -0.01 0.00 -0.11 0.00 0.00 41.96 38.81 2qrw s TYR 36 CO 0.54 -1.34 1.42 -1.25 -1.11 0.00 0.00 175.55 173.81 2qrw s PRO 37 N -3.64 3.87 0.48 -1.71 0.04 -1.26 -4.88 135.00 127.90 2qrw s PRO 37 Ca 0.68 1.39 0.19 0.00 0.04 0.00 0.00 61.00 63.30 2qrw s PRO 37 Cb -0.20 -3.94 1.20 0.00 0.04 0.00 0.00 34.50 31.60 2qrw s PRO 37 CO 0.31 -1.19 1.99 1.05 0.04 0.00 0.00 177.00 179.20 2qrw h GLU 38 N 9.83 0.21 -0.02 4.56 -0.00 -1.92 -2.01 114.58 125.23 2qrw h GLU 38 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 2qrw h GLU 38 Cb 1.12 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 2qrw h GLU 38 CO 1.02 0.14 -0.02 -0.40 -0.00 0.00 0.00 179.01 179.75 2qrw n ASP 39 N -4.44 2.00 -2.43 3.06 5.75 -1.26 -4.38 116.55 114.86 2qrw n ASP 39 Ca 0.09 -1.65 -0.01 0.00 -0.01 0.00 0.00 54.79 53.21 2qrw n ASP 39 Cb 0.46 0.01 0.05 0.00 -1.03 0.00 0.00 41.12 40.61 2qrw n ASP 39 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2qrw n ASP 40 N 0.54 1.75 0.00 -1.12 2.03 -0.76 -4.93 116.55 114.06 2qrw n ASP 40 Ca 0.17 -2.22 -0.13 0.00 0.52 0.00 0.00 54.79 53.13 2qrw n ASP 40 Cb 0.44 -0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 40.40 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 2.19 0.72 -0.46 -2.67 3.38 -1.75 -0.36 115.31 116.36 2qrw h LEU 41 Ca -0.11 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 2qrw h LEU 41 Cb 1.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2qrw h LEU 41 CO 0.21 1.20 -0.15 0.00 0.09 0.00 0.00 178.44 179.80 2qrw h ALA 42 N 0.79 0.64 -0.34 1.53 0.00 -1.92 -1.36 119.26 118.60 2qrw h ALA 42 Ca -0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2qrw h ALA 42 Cb 1.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2qrw h ALA 42 CO 0.13 0.57 -0.37 0.78 0.00 0.00 0.00 179.25 180.36 2qrw h GLY 43 N 0.75 0.86 0.89 0.00 0.00 -1.94 -1.83 103.07 101.80 2qrw h GLY 43 Ca 0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 2qrw h GLY 43 CO 0.05 0.77 0.08 0.00 0.00 0.00 0.00 176.54 177.44 2qrw h ALA 44 N 0.93 0.36 -0.40 3.60 0.00 -0.98 -0.76 119.26 122.01 2qrw h ALA 44 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qrw h ALA 44 Cb 0.92 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2qrw h ALA 44 CO 0.08 0.00 0.20 1.49 0.00 0.00 0.00 179.25 181.03 2qrw h GLU 45 N 0.28 0.40 -0.96 0.00 4.81 -1.24 -1.74 114.58 116.12 2qrw h GLU 45 Ca 0.09 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2qrw h GLU 45 Cb 0.26 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2qrw h GLU 45 CO -0.00 0.26 0.63 1.49 -0.73 0.00 0.00 179.01 180.67 2qrw h GLU 46 N 0.41 1.28 -0.56 1.92 4.81 -1.11 -1.22 114.58 120.11 2qrw h GLU 46 Ca 0.17 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2qrw h GLU 46 Cb 0.07 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2qrw h GLU 46 CO -0.11 0.85 0.10 0.00 -0.73 0.00 0.00 179.01 179.12 2qrw h ARG 47 N 1.31 0.92 -0.39 1.92 3.08 -0.63 -1.35 114.38 119.24 2qrw h ARG 47 Ca 0.35 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 2qrw h ARG 47 Cb -0.14 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 2qrw h ARG 47 CO -0.08 0.88 0.12 1.25 -1.07 0.00 0.00 179.97 181.07 2qrw h LEU 48 N 0.81 0.57 -0.09 3.04 5.85 -0.97 -1.23 115.31 123.30 2qrw h LEU 48 Ca 0.17 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2qrw h LEU 48 Cb 0.39 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2qrw h LEU 48 CO 0.01 0.63 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.53 2qrw h ARG 49 N 0.48 -0.15 -0.51 1.25 2.43 -1.14 -0.54 114.38 116.19 2qrw h ARG 49 Ca 0.12 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2qrw h ARG 49 Cb 0.27 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 2qrw h ARG 49 CO -0.00 -0.10 0.20 0.52 -1.51 0.00 0.00 179.97 179.08 2qrw h MET 50 N -0.16 0.38 0.02 0.20 2.86 -1.14 -0.17 114.93 116.93 2qrw h MET 50 Ca 0.07 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2qrw h MET 50 Cb 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2qrw h MET 50 CO -0.18 0.25 -0.01 0.35 1.06 0.00 0.00 176.91 178.38 2qrw h PHE 51 N 0.39 -0.03 -0.55 -0.22 3.57 -0.70 -2.26 116.94 117.15 2qrw h PHE 51 Ca 0.24 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 2qrw h PHE 51 Cb 0.24 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 2qrw h PHE 51 CO -0.15 -0.01 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.84 2qrw h LEU 52 N -0.04 0.92 -0.55 0.59 3.38 -0.80 0.13 115.31 118.94 2qrw h LEU 52 Ca -0.00 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2qrw h LEU 52 Cb 0.03 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 2qrw h LEU 52 CO 0.01 0.99 0.23 -0.33 0.09 0.00 0.00 178.44 179.43 2qrw h GLU 53 N 0.87 0.42 0.05 1.13 5.08 -0.98 -2.04 114.58 119.11 2qrw h GLU 53 Ca 0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2qrw h GLU 53 Cb 0.53 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2qrw h GLU 53 CO 0.03 0.28 -0.02 0.37 -1.00 0.00 0.00 179.01 178.66 2qrw h GLN 54 N 0.43 -0.06 -1.01 2.33 4.15 -0.96 0.21 115.11 120.20 2qrw h GLN 54 Ca 0.27 0.00 0.22 0.00 0.77 0.00 0.00 58.65 59.91 2qrw h GLN 54 Cb 0.27 0.01 -0.11 0.00 0.21 0.00 0.00 27.48 27.86 2qrw h GLN 54 CO -0.24 0.31 0.61 -0.92 -1.93 0.00 0.00 178.83 176.66 2qrw h TYR 55 N -0.44 0.98 -0.43 3.99 5.03 -0.57 -1.83 116.97 123.70 2qrw h TYR 55 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2qrw h TYR 55 Cb 0.40 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.39 2qrw h TYR 55 CO 0.05 0.15 0.00 0.91 -1.32 0.00 0.00 178.16 177.95 2qrw n TRP 56 N -4.79 0.99 0.00 -3.82 7.02 -0.78 -4.90 117.44 111.16 2qrw n TRP 56 Ca 0.25 -0.39 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 2qrw n TRP 56 Cb 0.68 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.39 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 0.85 0.65 0.00 6.99 0.00 -0.69 -1.05 105.19 111.94 2qrw n GLY 57 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.76 0.45 3.63 -0.02 0.00 0.73 -4.84 105.19 103.38 2qrw n GLY 58 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 1.54 -1.01 1.61 -0.02 -1.26 -4.60 135.00 131.26 2qrw n PRO 59 Ca 0.00 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 2qrw n PRO 59 Cb 0.00 -2.09 0.25 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.32 3.16 -0.11 -0.52 1.74 -1.26 -3.37 116.66 116.62 2qrw n ARG 60 Ca 0.08 -2.84 0.05 0.00 -0.77 0.00 0.00 57.85 54.38 2qrw n ARG 60 Cb 0.37 -2.14 0.38 0.00 -1.02 0.00 0.00 32.46 30.05 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 2.05 1.06 -0.08 0.55 2.02 -1.91 -2.75 112.91 113.86 2qrw h THR 61 Ca 0.35 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.34 2qrw h THR 61 Cb 2.39 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 2qrw h THR 61 CO 0.79 0.12 -0.24 0.22 0.37 0.00 0.00 175.52 176.79 2qrw h TYR 62 N 0.68 -0.64 -0.38 3.16 3.20 -1.79 -0.61 116.97 120.59 2qrw h TYR 62 Ca 0.24 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2qrw h TYR 62 Cb 0.13 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 2qrw h TYR 62 CO -0.00 -0.32 -0.05 0.66 -1.64 0.00 0.00 178.16 176.80 2qrw h SER 63 N -0.33 0.60 -0.72 -2.11 4.64 -1.67 0.32 113.55 114.28 2qrw h SER 63 Ca 0.08 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.20 2qrw h SER 63 Cb 0.45 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 2qrw h SER 63 CO -0.27 0.71 0.21 -0.33 -0.87 0.00 0.00 176.83 176.29 2qrw h GLU 64 N 0.59 1.13 0.12 4.77 5.08 -1.24 0.03 114.58 125.06 2qrw h GLU 64 Ca 0.11 -0.25 -0.32 0.00 -1.00 0.00 0.00 59.36 57.90 2qrw h GLU 64 Cb 0.45 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2qrw h GLU 64 CO 0.02 0.97 -1.65 1.96 -1.00 0.00 0.00 179.01 179.31 2qrw h GLN 65 N 1.07 0.26 -0.00 2.33 1.08 -0.80 -3.40 115.11 115.66 2qrw h GLN 65 Ca 0.23 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2qrw h GLN 65 Cb 0.32 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2qrw h GLN 65 CO -0.01 1.12 -0.00 0.54 -0.95 0.00 0.00 178.83 179.53 2qrw n ARG 66 N -3.45 -0.67 0.00 1.46 5.12 0.11 -5.10 116.66 114.12 2qrw n ARG 66 Ca -0.20 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.20 2qrw n ARG 66 Cb 1.05 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.36 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 0.06 -0.52 3.73 -0.13 0.00 -0.00 -4.79 105.19 103.54 2qrw n GLY 67 Ca 0.00 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 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 2.14 -0.24 1.61 8.25 -1.26 -4.25 115.22 121.46 2qrw n HIS 68 Ca 0.00 0.43 0.04 0.00 -0.26 0.00 0.00 57.72 57.93 2qrw n HIS 68 Cb 0.00 -2.33 0.16 0.00 1.12 0.00 0.00 29.99 28.94 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 1.23 0.41 -6.56 -0.41 0.11 -1.96 -3.46 132.00 121.37 2qrw h PRO 69 Ca -0.51 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.07 2qrw h PRO 69 Cb 1.31 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.23 2qrw h PRO 69 CO 0.56 0.27 -0.85 0.54 -0.21 0.00 0.00 178.00 178.31 2qrw n ARG 70 N -5.01 -3.52 -0.17 1.05 1.74 -1.26 -4.75 116.66 104.74 2qrw n ARG 70 Ca 0.13 0.42 -0.02 0.00 -0.77 0.00 0.00 57.85 57.61 2qrw n ARG 70 Cb 0.38 -4.84 0.20 0.00 -1.02 0.00 0.00 32.46 27.18 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 -1.75 0.83 -0.35 0.55 3.38 -1.99 -0.90 115.31 115.08 2qrw h LEU 71 Ca -0.61 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.32 2qrw h LEU 71 Cb 1.38 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 2qrw h LEU 71 CO 0.68 0.72 0.04 0.03 0.09 0.00 0.00 178.44 180.00 2qrw h ARG 72 N 0.91 0.14 -0.27 1.13 3.08 -1.94 -0.12 114.38 117.31 2qrw h ARG 72 Ca 0.22 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.14 2qrw h ARG 72 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2qrw h ARG 72 CO -0.03 0.09 -0.33 0.52 -1.07 0.00 0.00 179.97 179.16 2qrw h MET 73 N 0.15 0.58 -0.12 0.04 2.86 -1.69 -1.50 114.93 115.25 2qrw h MET 73 Ca 0.17 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2qrw h MET 73 Cb 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2qrw h MET 73 CO -0.25 0.84 -0.10 0.00 1.06 0.00 0.00 176.91 178.45 2qrw h ARG 74 N 0.50 0.18 -0.01 1.72 2.47 -0.68 -2.66 114.38 115.89 2qrw h ARG 74 Ca 0.06 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2qrw h ARG 74 Cb 0.81 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2qrw h ARG 74 CO 0.07 0.29 -0.40 0.72 0.56 0.00 0.00 179.97 181.20 2qrw n HIS 75 N -4.32 0.00 -0.01 3.04 8.25 -0.10 -4.40 115.22 117.68 2qrw n HIS 75 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 2qrw n HIS 75 Cb 0.23 -0.13 0.52 0.00 1.12 0.00 0.00 29.99 31.74 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 3.49 2.00 0.00 -1.41 0.00 -0.91 -0.86 119.26 121.58 2qrw h ALA 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qrw h ALA 76 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2qrw h ALA 76 CO 0.00 -0.09 0.00 -2.30 0.00 0.00 0.00 179.25 176.86 2qrw n PRO 77 N -4.47 0.02 -4.50 0.00 -0.02 -1.26 -4.73 135.00 120.04 2qrw n PRO 77 Ca 0.06 0.40 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 2qrw n PRO 77 Cb 0.29 -1.55 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 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 -3.05 2.66 -0.76 6.00 0.40 -0.33 -5.07 117.98 117.83 2qrw s PHE 78 Ca 0.03 -0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 55.97 2qrw s PHE 78 Cb 0.05 -1.48 0.11 0.00 0.51 0.00 0.00 43.02 42.21 2qrw s PHE 78 CO 0.14 0.32 0.96 1.03 0.70 0.00 0.00 175.22 178.37 2qrw s ARG 79 N -1.65 3.32 -0.45 0.44 0.52 -1.26 -4.92 118.95 114.95 2qrw s ARG 79 Ca 0.17 -1.42 -0.14 0.00 -0.52 0.00 0.00 55.73 53.81 2qrw s ARG 79 Cb -0.11 -4.52 0.06 0.00 0.52 0.00 0.00 34.95 30.90 2qrw s ARG 79 CO 0.08 -1.70 0.36 0.42 0.02 0.00 0.00 175.30 174.47 2qrw s ILE 80 N 2.96 5.10 0.44 1.52 1.01 -1.26 -4.90 121.20 126.06 2qrw s ILE 80 Ca 0.24 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2qrw s ILE 80 Cb -0.13 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.39 2qrw s ILE 80 CO 0.00 -0.51 0.52 -1.54 0.00 0.00 0.00 174.94 173.41 2qrw n SER 81 N 5.15 1.87 -0.04 3.58 3.41 -1.26 -0.56 113.62 125.79 2qrw n SER 81 Ca -0.12 -2.28 0.19 0.00 -0.26 0.00 0.00 58.87 56.40 2qrw n SER 81 Cb 0.44 -0.23 0.65 0.00 -0.26 0.00 0.00 64.21 64.81 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 0.09 0.13 1.04 3.38 -1.88 -0.53 115.31 117.54 2qrw h LEU 82 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2qrw h LEU 82 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2qrw h LEU 82 CO 0.34 0.05 -0.06 0.40 0.09 0.00 0.00 178.44 179.26 2qrw h ILE 83 N 0.10 0.94 -0.64 1.22 2.04 -1.95 -0.39 117.51 118.82 2qrw h ILE 83 Ca 0.28 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 2qrw h ILE 83 Cb 0.97 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2qrw h ILE 83 CO -0.03 0.06 0.20 -0.33 0.00 0.00 0.00 178.15 178.04 2qrw h GLU 84 N -0.27 1.00 -0.28 2.37 3.07 -1.77 -1.59 114.58 117.12 2qrw h GLU 84 Ca -0.02 -0.22 0.05 0.00 -0.50 0.00 0.00 59.36 58.68 2qrw h GLU 84 Cb 0.22 -0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 2qrw h GLU 84 CO 0.03 0.88 -0.05 -0.09 -1.40 0.00 0.00 179.01 178.38 2qrw h ARG 85 N 0.93 0.02 -0.41 2.33 2.43 -1.01 0.64 114.38 119.31 2qrw h ARG 85 Ca 0.21 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2qrw h ARG 85 Cb 0.30 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2qrw h ARG 85 CO -0.01 0.01 -0.16 -0.44 -1.51 0.00 0.00 179.97 177.87 2qrw h ASP 86 N 0.02 0.77 -0.45 -3.80 3.32 -0.95 -1.55 116.42 113.78 2qrw h ASP 86 Ca 0.13 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2qrw h ASP 86 Cb 0.20 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2qrw h ASP 86 CO -0.27 0.93 -0.13 0.00 -1.72 0.00 0.00 179.24 178.05 2qrw h ALA 87 N 1.14 0.63 -0.40 3.45 0.00 -0.97 -1.37 119.26 121.73 2qrw h ALA 87 Ca 0.11 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2qrw h ALA 87 Cb 0.65 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2qrw h ALA 87 CO 0.05 0.54 0.19 0.35 0.00 0.00 0.00 179.25 180.37 2qrw h PHE 88 N 0.72 0.35 -0.09 0.00 3.57 -0.66 -1.93 116.94 118.90 2qrw h PHE 88 Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 2qrw h PHE 88 Cb 0.68 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2qrw h PHE 88 CO 0.05 0.18 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.81 2qrw h LEU 89 N 0.39 0.21 -0.12 0.59 3.38 -1.12 -0.37 115.31 118.26 2qrw h LEU 89 Ca 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qrw h LEU 89 Cb 0.09 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2qrw h LEU 89 CO -0.13 0.62 0.04 0.03 0.09 0.00 0.00 178.44 179.08 2qrw h ARG 90 N 0.17 0.18 -0.50 1.13 3.08 -0.91 0.17 114.38 117.70 2qrw h ARG 90 Ca 0.01 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2qrw h ARG 90 Cb 0.83 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2qrw h ARG 90 CO 0.06 0.33 0.28 0.00 -1.07 0.00 0.00 179.97 179.57 2qrw h MET 92 N 0.56 0.76 -0.96 0.00 -1.53 -0.92 -1.59 114.93 111.25 2qrw h MET 92 Ca 0.21 -0.17 0.01 0.00 -3.44 0.00 0.00 59.70 56.32 2qrw h MET 92 Cb 0.06 -0.11 -0.05 0.00 -0.55 0.00 0.00 31.60 30.95 2qrw h MET 92 CO -0.11 0.72 0.63 0.45 0.14 0.00 0.00 176.91 178.74 2qrw h HIS 93 N 0.66 1.19 -0.23 1.39 -0.00 -0.37 0.16 115.15 117.96 2qrw h HIS 93 Ca 0.16 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 2qrw h HIS 93 Cb 0.28 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 2qrw h HIS 93 CO 0.01 0.74 0.09 1.15 -0.00 0.00 0.00 177.93 179.93 2qrw h THR 94 N 1.28 1.16 -0.28 2.45 2.02 -1.11 0.53 112.91 118.96 2qrw h THR 94 Ca 0.36 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 67.06 2qrw h THR 94 Cb -0.12 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2qrw h THR 94 CO -0.09 0.16 0.16 0.00 0.37 0.00 0.00 175.52 176.13 2qrw h ALA 95 N 0.94 0.34 -0.53 6.16 0.00 -0.84 -2.50 119.26 122.83 2qrw h ALA 95 Ca 0.08 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2qrw h ALA 95 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qrw h ALA 95 CO -0.01 -0.22 -0.06 0.28 0.00 0.00 0.00 179.25 179.25 2qrw h VAL 96 N 0.33 1.26 0.00 0.00 2.07 -0.61 -2.48 116.25 116.82 2qrw h VAL 96 Ca 0.11 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 2qrw h VAL 96 Cb -0.00 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2qrw h VAL 96 CO -0.05 0.41 -0.03 0.00 0.02 0.00 0.00 177.57 177.93 2qrw h ALA 97 N 1.07 1.10 0.00 1.67 0.00 -0.69 -2.06 119.26 120.35 2qrw h ALA 97 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qrw h ALA 97 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qrw h ALA 97 CO 0.04 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 2qrw n SER 98 N -3.26 0.00 -4.66 0.00 3.41 -0.93 -4.72 113.62 103.46 2qrw n SER 98 Ca -0.02 0.14 -0.39 0.00 -0.26 0.00 0.00 58.87 58.34 2qrw n SER 98 Cb 0.17 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.76 5.14 0.77 -1.33 -1.09 -0.78 -5.05 121.20 116.10 2qrw s ILE 99 Ca 0.22 0.86 -0.13 0.00 -2.23 0.00 0.00 60.65 59.36 2qrw s ILE 99 Cb 0.19 -3.80 0.06 0.00 -1.58 0.00 0.00 42.46 37.34 2qrw s ILE 99 CO 0.48 0.20 1.17 1.51 -1.23 0.00 0.00 174.94 177.07 2qrw s ASP 100 N 1.15 4.01 0.32 3.58 3.84 -1.26 -4.78 116.67 123.52 2qrw s ASP 100 Ca 0.22 2.23 0.26 0.00 -0.00 0.00 0.00 52.55 55.26 2qrw s ASP 100 Cb -0.15 -2.57 0.95 0.00 -1.38 0.00 0.00 42.92 39.76 2qrw s ASP 100 CO 0.09 -2.38 1.77 0.77 -0.00 0.00 0.00 175.17 175.42 2qrw h SER 101 N -0.72 0.00 -0.35 2.11 4.64 -1.96 -1.88 113.55 115.39 2qrw h SER 101 Ca -0.46 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 2qrw h SER 101 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2qrw h SER 101 CO 0.48 0.00 -0.35 -0.08 -0.87 0.00 0.00 176.83 176.01 2qrw h GLU 102 N 0.00 0.85 -0.08 4.77 4.81 -1.98 -3.24 114.58 119.71 2qrw h GLU 102 Ca 0.00 -0.45 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 2qrw h GLU 102 Cb 0.56 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2qrw h GLU 102 CO 0.00 1.09 -0.20 1.15 -0.73 0.00 0.00 179.01 180.32 2qrw h THR 103 N 0.64 1.41 -3.64 0.32 2.02 -1.84 -3.42 112.91 108.40 2qrw h THR 103 Ca 0.05 -1.53 -0.67 0.00 0.77 0.00 0.00 66.41 65.03 2qrw h THR 103 Cb 0.94 2.20 -0.38 0.00 -1.74 0.00 0.00 68.15 69.17 2qrw h THR 103 CO 0.09 0.44 -0.67 -0.22 0.37 0.00 0.00 175.52 175.52 2qrw s LEU 104 N -8.89 4.80 0.85 2.58 0.20 -0.74 -4.44 118.68 113.05 2qrw s LEU 104 Ca -0.15 -2.03 -0.17 0.00 0.69 0.00 0.00 54.13 52.47 2qrw s LEU 104 Cb 0.04 -1.69 -0.14 0.00 -0.43 0.00 0.00 46.19 43.96 2qrw s LEU 104 CO 0.75 -0.41 -0.53 0.47 -0.29 0.00 0.00 176.35 176.33 2qrw n ASP 105 N 4.39 -5.09 -0.29 3.68 9.92 -1.23 -4.31 116.55 123.62 2qrw n ASP 105 Ca 0.00 0.33 -0.05 0.00 -0.53 0.00 0.00 54.79 54.54 2qrw n ASP 105 Cb 0.42 -0.82 0.07 0.00 -0.64 0.00 0.00 41.12 40.15 2qrw n ASP 105 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2qrw h ASP 106 N -0.72 1.11 -0.39 -2.24 5.19 -1.99 0.19 116.42 117.57 2qrw h ASP 106 Ca -0.43 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 55.71 2qrw h ASP 106 Cb 1.34 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 2qrw h ASP 106 CO 0.29 0.97 -0.15 -0.08 -3.12 0.00 0.00 179.24 177.15 2qrw h GLU 107 N 1.17 0.78 -0.03 3.56 4.81 -1.99 -1.63 114.58 121.26 2qrw h GLU 107 Ca 0.27 -0.33 -0.19 0.00 -0.13 0.00 0.00 59.36 58.98 2qrw h GLU 107 Cb 0.20 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2qrw h GLU 107 CO -0.02 0.94 -0.81 0.45 -0.73 0.00 0.00 179.01 178.84 2qrw h HIS 108 N 0.59 0.46 -0.22 0.92 3.86 -1.88 -2.60 115.15 116.28 2qrw h HIS 108 Ca 0.09 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2qrw h HIS 108 Cb 0.69 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2qrw h HIS 108 CO 0.05 1.01 0.12 -0.09 0.86 0.00 0.00 177.93 179.88 2qrw h ARG 109 N 0.20 0.31 -0.38 2.45 2.43 -0.59 -1.43 114.38 117.38 2qrw h ARG 109 Ca -0.04 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2qrw h ARG 109 Cb 1.41 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 2qrw h ARG 109 CO 0.13 0.30 0.20 -0.09 -1.51 0.00 0.00 179.97 179.00 2qrw h ARG 110 N 0.24 0.39 -0.58 0.20 9.65 -1.27 -1.31 114.38 121.69 2qrw h ARG 110 Ca 0.08 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 2qrw h ARG 110 Cb 0.08 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 2qrw h ARG 110 CO -0.01 0.26 0.18 1.49 2.80 0.00 0.00 179.97 184.69 2qrw h GLU 111 N 0.40 0.90 0.28 0.20 4.81 -1.25 -0.57 114.58 119.35 2qrw h GLU 111 Ca 0.16 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2qrw h GLU 111 Cb 0.06 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2qrw h GLU 111 CO -0.10 0.81 -0.14 1.25 -0.73 0.00 0.00 179.01 180.10 2qrw h LEU 112 N 0.82 -0.32 -0.94 1.64 5.85 -1.07 -2.13 115.31 119.15 2qrw h LEU 112 Ca 0.19 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2qrw h LEU 112 Cb 0.28 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2qrw h LEU 112 CO -0.01 -0.15 0.62 -0.07 -0.34 0.00 0.00 178.44 178.49 2qrw h LEU 113 N -0.47 1.06 -0.64 2.25 4.07 -1.13 -1.59 115.31 118.86 2qrw h LEU 113 Ca -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 2qrw h LEU 113 Cb 0.35 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 2qrw h LEU 113 CO 0.06 0.76 0.35 0.44 -1.08 0.00 0.00 178.44 178.97 2qrw h ASP 114 N 1.25 0.80 -0.05 -0.43 3.45 -1.06 -0.45 116.42 119.93 2qrw h ASP 114 Ca 0.36 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.73 2qrw h ASP 114 Cb -0.09 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.47 2qrw h ASP 114 CO -0.09 0.66 0.02 0.22 -1.57 0.00 0.00 179.24 178.48 2qrw h TYR 115 N 0.87 0.03 -0.49 4.55 5.03 -0.99 -1.48 116.97 124.49 2qrw h TYR 115 Ca 0.22 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.47 2qrw h TYR 115 Cb 0.04 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.29 2qrw h TYR 115 CO -0.01 0.02 0.02 -0.07 -1.32 0.00 0.00 178.16 176.80 2qrw h LEU 116 N 0.04 0.77 -0.25 2.82 3.38 -1.02 0.13 115.31 121.18 2qrw h LEU 116 Ca 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2qrw h LEU 116 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2qrw h LEU 116 CO -0.02 0.83 0.05 -0.33 0.09 0.00 0.00 178.44 179.06 2qrw h GLU 117 N 0.76 0.41 -0.41 1.13 4.39 -0.97 0.52 114.58 120.41 2qrw h GLU 117 Ca 0.15 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 2qrw h GLU 117 Cb 0.43 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2qrw h GLU 117 CO 0.02 0.53 -0.10 0.00 -1.16 0.00 0.00 179.01 178.29 2qrw h MET 118 N 0.23 0.79 -0.50 2.33 -0.00 -0.89 -2.48 114.93 114.42 2qrw h MET 118 Ca 0.08 -0.30 -0.09 0.00 -0.00 0.00 0.00 59.70 59.39 2qrw h MET 118 Cb 0.31 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 31.85 2qrw h MET 118 CO 0.00 0.92 -0.02 0.00 -0.00 0.00 0.00 176.91 177.81 2qrw h ALA 119 N 0.85 0.67 -0.67 -3.00 0.00 -0.68 -1.54 119.26 114.89 2qrw h ALA 119 Ca 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qrw h ALA 119 Cb 0.63 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2qrw h ALA 119 CO 0.04 0.50 0.41 0.00 0.00 0.00 0.00 179.25 180.20 2qrw h ALA 120 N 0.92 0.85 -0.39 0.00 0.00 -0.87 -2.08 119.26 117.70 2qrw h ALA 120 Ca 0.14 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qrw h ALA 120 Cb 0.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qrw h ALA 120 CO 0.03 0.31 0.00 1.25 0.00 0.00 0.00 179.25 180.85 2qrw h HIS 121 N 0.91 0.64 0.00 0.00 6.17 -1.26 -2.33 115.15 119.27 2qrw h HIS 121 Ca 0.24 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.25 2qrw h HIS 121 Cb -0.04 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.70 2qrw h HIS 121 CO -0.02 0.61 0.00 -1.13 0.71 0.00 0.00 177.93 178.10 2qrw n SER 122 N -4.26 0.31 -0.95 3.26 3.41 -0.59 -2.77 113.62 112.03 2qrw n SER 122 Ca 0.02 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 2qrw n SER 122 Cb 0.26 -0.64 0.11 0.00 -0.26 0.00 0.00 64.21 63.68 2qrw n SER 122 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qrw n LEU 123 N -1.83 2.98 -4.72 1.04 4.77 -0.88 -4.92 117.00 113.44 2qrw n LEU 123 Ca 0.03 -1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 54.54 2qrw n LEU 123 Cb 0.22 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2qrw n LEU 123 CO 0.18 0.52 1.29 -0.69 -1.33 0.00 0.00 177.39 177.36 2qrw s VAL 124 N -1.87 2.34 0.00 4.08 1.01 -1.12 -4.78 120.40 120.06 2qrw s VAL 124 Ca 0.28 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2qrw s VAL 124 Cb 0.20 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2qrw s VAL 124 CO 0.29 0.02 0.35 -0.46 0.00 0.00 0.00 175.10 175.30 2qrw n ASN 125 N 3.88 0.00 -3.84 3.32 0.23 0.28 -5.03 115.26 114.11 2qrw n ASN 125 Ca 0.14 -1.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.08 2qrw n ASN 125 Cb 0.37 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.98 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 0.00 -0.03 0.42 0.53 0.01 -0.76 -4.82 113.70 109.04 2qrw s SER 126 Ca 0.00 -0.14 0.26 0.00 1.31 0.00 0.00 55.95 57.38 2qrw s SER 126 Cb 0.00 0.24 0.72 0.00 0.21 0.00 0.00 66.02 67.19 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 4.09 0.00 0.00 12.44 0.13 -1.98 -3.35 132.00 143.32 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 0.41 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.15