#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 1.55 0.53 0.54 2.47 -1.26 -5.14 119.74 118.42 2qrw s LYS 3 Ca 0.00 -0.34 -0.18 0.00 -1.56 0.00 0.00 55.97 53.89 2qrw s LYS 3 Cb 0.00 -1.72 -0.07 0.00 -1.46 0.00 0.00 37.83 34.58 2qrw s LYS 3 CO 0.00 -0.31 1.03 -1.54 0.16 0.00 0.00 175.35 174.69 2qrw s SER 4 N 1.68 6.22 0.21 1.43 1.04 -1.26 -4.93 113.70 118.09 2qrw s SER 4 Ca 0.04 1.82 -0.09 0.00 0.48 0.00 0.00 55.95 58.20 2qrw s SER 4 Cb -0.13 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 63.72 2qrw s SER 4 CO -0.08 -0.86 1.77 0.15 0.98 0.00 0.00 173.24 175.20 2qrw h PHE 5 N 1.07 0.54 -0.17 5.02 3.57 -1.92 -1.02 116.94 124.03 2qrw h PHE 5 Ca -0.48 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.10 2qrw h PHE 5 Cb 1.21 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 2qrw h PHE 5 CO 0.59 0.20 -0.35 -0.92 -2.23 0.00 0.00 178.31 175.59 2qrw h TYR 6 N 0.53 -0.99 -0.64 0.41 3.20 -1.52 -1.52 116.97 116.44 2qrw h TYR 6 Ca 0.31 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 2qrw h TYR 6 Cb 0.32 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 2qrw h TYR 6 CO -0.12 -0.42 0.12 -0.44 -1.64 0.00 0.00 178.16 175.65 2qrw h ASP 7 N -0.40 0.99 -0.64 -2.11 3.32 -1.81 0.22 116.42 115.99 2qrw h ASP 7 Ca 0.10 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 56.99 2qrw h ASP 7 Cb 0.57 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2qrw h ASP 7 CO -0.40 0.98 0.42 0.00 -1.72 0.00 0.00 179.24 178.53 2qrw h ALA 8 N 1.14 1.78 -0.35 3.45 0.00 -0.49 -2.05 119.26 122.72 2qrw h ALA 8 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qrw h ALA 8 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qrw h ALA 8 CO 0.01 0.12 0.00 1.33 0.00 0.00 0.00 179.25 180.71 2qrw n VAL 9 N -4.48 0.46 0.00 0.00 0.24 -0.64 -4.88 118.33 109.04 2qrw n VAL 9 Ca 0.09 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 2qrw n VAL 9 Cb 0.23 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 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 1.36 1.05 7.00 7.63 0.00 -0.77 -4.61 105.19 116.85 2qrw n GLY 10 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.72 2.94 0.30 -0.02 0.00 0.78 -3.67 105.19 103.80 2qrw n GLY 11 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.92 1.13 -0.79 4.61 0.00 -1.96 -1.74 119.26 119.59 2qrw h ALA 12 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qrw h ALA 12 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2qrw h ALA 12 CO 0.00 0.05 0.43 -0.22 0.00 0.00 0.00 179.25 179.51 2qrw h LYS 13 N 0.73 1.10 -0.09 0.00 3.64 -1.97 0.03 116.57 120.00 2qrw h LYS 13 Ca 0.39 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2qrw h LYS 13 Cb 0.38 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2qrw h LYS 13 CO -0.26 0.80 -0.07 1.15 -2.27 0.00 0.00 179.45 178.81 2qrw h THR 14 N 1.10 1.34 -0.32 1.00 2.02 -1.41 -1.24 112.91 115.41 2qrw h THR 14 Ca 0.28 -1.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.22 2qrw h THR 14 Cb 0.03 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 2qrw h THR 14 CO -0.04 0.33 -0.11 -0.26 0.37 0.00 0.00 175.52 175.80 2qrw h PHE 15 N -0.18 0.58 -0.04 3.16 0.04 -1.31 -0.52 116.94 118.66 2qrw h PHE 15 Ca 0.02 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2qrw h PHE 15 Cb 0.56 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2qrw h PHE 15 CO 0.08 0.64 0.03 0.22 -0.60 0.00 0.00 178.31 178.67 2qrw h ASP 16 N 0.50 0.05 -0.28 2.17 3.58 -0.94 -1.47 116.42 120.03 2qrw h ASP 16 Ca 0.09 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.55 2qrw h ASP 16 Cb 0.49 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2qrw h ASP 16 CO 0.03 0.05 0.12 0.00 -2.88 0.00 0.00 179.24 176.56 2qrw h ALA 17 N 1.00 0.33 0.22 -0.78 0.00 -0.88 -0.17 119.26 118.98 2qrw h ALA 17 Ca 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qrw h ALA 17 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qrw h ALA 17 CO -0.00 -0.28 -0.11 0.82 0.00 0.00 0.00 179.25 179.68 2qrw h ILE 18 N 0.26 0.78 -0.36 0.00 2.04 -1.01 -1.75 117.51 117.47 2qrw h ILE 18 Ca 0.12 -0.02 -0.14 0.00 1.00 0.00 0.00 64.86 65.82 2qrw h ILE 18 Cb 0.06 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2qrw h ILE 18 CO -0.10 0.00 -0.34 0.58 0.00 0.00 0.00 178.15 178.29 2qrw h VAL 19 N -0.31 1.28 -0.48 1.67 2.07 -1.18 0.29 116.25 119.60 2qrw h VAL 19 Ca -0.03 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 2qrw h VAL 19 Cb 0.24 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2qrw h VAL 19 CO 0.05 0.50 0.23 -1.28 0.02 0.00 0.00 177.57 177.09 2qrw h SER 20 N 0.68 0.62 0.17 0.57 0.87 -1.02 -0.55 113.55 114.90 2qrw h SER 20 Ca 0.07 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.36 2qrw h SER 20 Cb 0.89 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2qrw h SER 20 CO 0.08 0.57 -0.53 0.03 -0.53 0.00 0.00 176.83 176.45 2qrw h ARG 21 N 0.63 0.39 0.13 2.24 -0.00 -1.20 -1.55 114.38 115.02 2qrw h ARG 21 Ca 0.16 -0.24 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2qrw h ARG 21 Cb 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 2qrw h ARG 21 CO -0.02 0.83 -0.11 0.35 0.00 0.00 0.00 179.97 181.01 2qrw h PHE 22 N 0.30 -0.29 -0.36 3.04 3.57 -0.70 -1.57 116.94 120.93 2qrw h PHE 22 Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2qrw h PHE 22 Cb 1.04 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 2qrw h PHE 22 CO 0.03 -0.18 0.15 1.88 -2.23 0.00 0.00 178.31 177.96 2qrw h TYR 23 N -0.26 0.49 -0.54 0.41 0.05 -0.96 0.14 116.97 116.31 2qrw h TYR 23 Ca 0.00 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 2qrw h TYR 23 Cb 0.24 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2qrw h TYR 23 CO -0.11 0.39 0.09 0.00 -1.05 0.00 0.00 178.16 177.47 2qrw h ALA 24 N 1.67 1.15 -0.38 3.88 0.00 -1.10 -2.12 119.26 122.35 2qrw h ALA 24 Ca 0.13 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2qrw h ALA 24 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qrw h ALA 24 CO -0.01 0.57 -0.25 1.96 0.00 0.00 0.00 179.25 181.51 2qrw h GLN 25 N 0.81 0.84 -0.53 0.00 1.08 -0.20 -3.09 115.11 114.02 2qrw h GLN 25 Ca 0.17 -0.40 0.10 0.00 -1.45 0.00 0.00 58.65 57.07 2qrw h GLN 25 Cb 0.36 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.70 2qrw h GLN 25 CO 0.01 1.04 0.10 0.28 -0.95 0.00 0.00 178.83 179.30 2qrw h VAL 26 N 0.65 0.68 -0.14 -0.54 2.07 -0.53 -1.14 116.25 117.30 2qrw h VAL 26 Ca 0.08 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2qrw h VAL 26 Cb 0.82 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2qrw h VAL 26 CO 0.07 0.04 0.11 0.00 0.02 0.00 0.00 177.57 177.82 2qrw h ALA 27 N 1.43 1.96 -0.05 1.67 0.00 -1.31 -0.10 119.26 122.85 2qrw h ALA 27 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qrw h ALA 27 Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qrw h ALA 27 CO -0.36 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.09 2qrw n GLU 28 N -4.22 2.08 -3.56 0.00 4.71 -0.51 -4.84 120.64 114.30 2qrw n GLU 28 Ca 0.00 -1.57 -0.38 0.00 -0.01 0.00 0.00 57.16 55.21 2qrw n GLU 28 Cb 0.24 -1.47 -0.10 0.00 -1.01 0.00 0.00 31.44 29.10 2qrw n GLU 28 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2qrw s ASP 29 N -1.95 6.10 0.51 1.62 -1.08 -0.05 -4.96 116.67 116.86 2qrw s ASP 29 Ca 0.32 0.10 0.15 0.00 -0.52 0.00 0.00 52.55 52.61 2qrw s ASP 29 Cb 0.20 -2.14 1.22 0.00 -1.46 0.00 0.00 42.92 40.74 2qrw s ASP 29 CO 0.31 -0.05 2.12 -0.33 0.52 0.00 0.00 175.17 177.75 2qrw h GLU 30 N 8.09 0.02 0.09 4.34 3.07 -1.91 -0.65 114.58 127.63 2qrw h GLU 30 Ca -0.35 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.50 2qrw h GLU 30 Cb 1.18 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2qrw h GLU 30 CO 0.60 0.04 -0.04 0.28 -1.40 0.00 0.00 179.01 178.49 2qrw h VAL 31 N 0.02 0.92 0.00 3.13 2.07 -1.93 -3.41 116.25 117.05 2qrw h VAL 31 Ca 0.00 -1.42 -0.17 0.00 0.82 0.00 0.00 66.70 65.94 2qrw h VAL 31 Cb 0.05 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2qrw h VAL 31 CO 0.00 0.28 -1.03 -0.07 0.02 0.00 0.00 177.57 176.77 2qrw h LEU 32 N -0.92 0.00 -1.84 2.57 3.38 -1.78 -3.27 115.31 113.44 2qrw h LEU 32 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qrw h LEU 32 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2qrw h LEU 32 CO 0.02 0.69 0.03 0.08 0.09 0.00 0.00 178.44 179.35 2qrw h ARG 33 N 0.00 0.00 -0.00 1.13 0.11 -1.10 0.28 114.38 114.80 2qrw h ARG 33 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 2qrw h ARG 33 Cb 1.60 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.68 2qrw h ARG 33 CO 0.08 0.00 -0.77 0.54 0.10 0.00 0.00 179.97 179.91 2qrw n ARG 34 N -2.49 0.01 -0.09 0.08 5.12 -1.23 -4.41 116.66 113.64 2qrw n ARG 34 Ca -0.02 -0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.68 2qrw n ARG 34 Cb 0.07 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 29.75 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 -1.49 1.58 -2.38 1.55 0.31 0.94 -4.96 118.33 113.88 2qrw n VAL 35 Ca 0.05 -0.49 -0.34 0.00 -0.01 0.00 0.00 64.34 63.55 2qrw n VAL 35 Cb 0.33 -1.68 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 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 -2.51 2.98 -0.23 3.52 1.51 -1.03 -4.92 117.35 116.66 2qrw s TYR 36 Ca -0.32 1.55 -0.29 0.00 -1.01 0.00 0.00 57.07 57.01 2qrw s TYR 36 Cb 0.09 -3.06 -0.02 0.00 -0.11 0.00 0.00 41.96 38.86 2qrw s TYR 36 CO 0.62 -0.96 1.51 -1.25 -1.11 0.00 0.00 175.55 174.36 2qrw s PRO 37 N -3.49 3.87 0.29 -1.71 0.04 -1.26 -4.89 135.00 127.85 2qrw s PRO 37 Ca 0.66 1.56 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2qrw s PRO 37 Cb -0.17 -3.97 0.68 0.00 0.04 0.00 0.00 34.50 31.08 2qrw s PRO 37 CO 0.25 -1.20 1.75 1.49 0.04 0.00 0.00 177.00 179.34 2qrw h GLU 38 N 10.14 0.61 -0.44 4.56 4.22 -1.91 -2.20 114.58 129.55 2qrw h GLU 38 Ca -0.31 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.09 2qrw h GLU 38 Cb 1.14 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2qrw h GLU 38 CO 1.01 0.40 0.00 -0.40 -2.18 0.00 0.00 179.01 177.84 2qrw n ASP 39 N -4.87 3.26 -1.24 1.04 3.85 -1.26 -4.35 116.55 112.98 2qrw n ASP 39 Ca 0.21 -1.96 0.04 0.00 -0.71 0.00 0.00 54.79 52.37 2qrw n ASP 39 Cb 0.56 -0.29 0.04 0.00 -1.35 0.00 0.00 41.12 40.09 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 1.33 0.97 0.13 -1.12 2.03 -0.84 -4.90 116.55 114.15 2qrw n ASP 40 Ca 0.20 -2.23 0.01 0.00 0.52 0.00 0.00 54.79 53.29 2qrw n ASP 40 Cb 0.56 -0.31 0.33 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.85 0.18 -0.06 -2.67 3.38 -1.73 -1.26 115.31 113.99 2qrw h LEU 41 Ca -0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2qrw h LEU 41 Cb 1.72 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 2qrw h LEU 41 CO 0.07 0.46 -0.05 0.00 0.09 0.00 0.00 178.44 179.02 2qrw h ALA 42 N 1.55 0.09 -0.11 1.53 0.00 -1.91 -1.13 119.26 119.29 2qrw h ALA 42 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2qrw h ALA 42 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qrw h ALA 42 CO 0.04 -0.13 -0.52 0.78 0.00 0.00 0.00 179.25 179.42 2qrw h GLY 43 N -0.27 0.33 0.89 0.00 0.00 -1.93 -1.70 103.07 100.38 2qrw h GLY 43 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2qrw h GLY 43 CO 0.01 0.33 0.07 0.00 0.00 0.00 0.00 176.54 176.96 2qrw h ALA 44 N 1.21 0.24 -0.77 3.60 0.00 -1.21 0.03 119.26 122.36 2qrw h ALA 44 Ca 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2qrw h ALA 44 Cb 1.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2qrw h ALA 44 CO 0.08 -0.17 0.51 1.49 0.00 0.00 0.00 179.25 181.16 2qrw h GLU 45 N 0.14 1.00 -0.49 0.00 4.81 -1.08 -2.05 114.58 116.91 2qrw h GLU 45 Ca 0.06 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2qrw h GLU 45 Cb 0.18 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2qrw h GLU 45 CO -0.00 0.66 -0.08 1.49 -0.73 0.00 0.00 179.01 180.34 2qrw h GLU 46 N 1.03 0.88 -0.69 1.92 4.81 -1.02 -1.39 114.58 120.11 2qrw h GLU 46 Ca 0.29 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2qrw h GLU 46 Cb -0.09 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 2qrw h GLU 46 CO -0.07 0.93 0.15 0.00 -0.73 0.00 0.00 179.01 179.29 2qrw h ARG 47 N 0.80 1.11 -0.37 1.92 3.08 -0.55 -0.91 114.38 119.46 2qrw h ARG 47 Ca 0.14 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 2qrw h ARG 47 Cb 0.60 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2qrw h ARG 47 CO 0.04 0.99 0.01 1.25 -1.07 0.00 0.00 179.97 181.19 2qrw h LEU 48 N 1.05 0.63 -0.16 3.04 5.85 -1.12 -0.12 115.31 124.48 2qrw h LEU 48 Ca 0.22 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2qrw h LEU 48 Cb 0.39 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2qrw h LEU 48 CO 0.01 0.77 0.01 -0.09 -0.34 0.00 0.00 178.44 178.79 2qrw h ARG 49 N 0.47 0.06 -0.80 1.25 2.43 -1.15 -0.56 114.38 116.08 2qrw h ARG 49 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2qrw h ARG 49 Cb 0.44 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 2qrw h ARG 49 CO 0.02 0.04 0.51 0.52 -1.51 0.00 0.00 179.97 179.55 2qrw h MET 50 N 0.06 1.07 -0.06 0.20 2.86 -1.00 -1.17 114.93 116.89 2qrw h MET 50 Ca 0.08 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qrw h MET 50 Cb 0.09 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2qrw h MET 50 CO -0.12 0.73 0.03 0.35 1.06 0.00 0.00 176.91 178.96 2qrw h PHE 51 N 1.09 0.08 -0.71 -0.22 3.57 -0.67 -2.31 116.94 117.77 2qrw h PHE 51 Ca 0.29 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 2qrw h PHE 51 Cb -0.09 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2qrw h PHE 51 CO -0.01 0.09 0.20 -0.07 -2.23 0.00 0.00 178.31 176.29 2qrw h LEU 52 N 0.03 1.05 -0.61 0.59 3.38 -0.94 0.37 115.31 119.18 2qrw h LEU 52 Ca 0.02 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2qrw h LEU 52 Cb 0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2qrw h LEU 52 CO -0.00 1.00 0.37 -0.33 0.09 0.00 0.00 178.44 179.56 2qrw h GLU 53 N 1.07 0.70 -0.04 1.13 5.08 -1.13 -2.26 114.58 119.12 2qrw h GLU 53 Ca 0.23 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2qrw h GLU 53 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2qrw h GLU 53 CO -0.00 0.46 0.00 0.37 -1.00 0.00 0.00 179.01 178.84 2qrw h GLN 54 N 0.72 0.07 -0.82 2.33 4.15 -1.02 0.36 115.11 120.90 2qrw h GLN 54 Ca 0.25 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.79 2qrw h GLN 54 Cb 0.05 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 27.65 2qrw h GLN 54 CO -0.12 0.34 0.41 -0.92 -1.93 0.00 0.00 178.83 176.61 2qrw h TYR 55 N -0.22 0.73 -0.42 3.99 5.03 -0.68 -1.83 116.97 123.57 2qrw h TYR 55 Ca 0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2qrw h TYR 55 Cb 0.31 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.39 2qrw h TYR 55 CO 0.03 0.19 0.00 0.91 -1.32 0.00 0.00 178.16 177.97 2qrw n TRP 56 N -4.87 0.60 0.00 -3.82 7.02 -0.87 -4.88 117.44 110.61 2qrw n TRP 56 Ca 0.16 -0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 2qrw n TRP 56 Cb 0.39 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 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 1.14 1.13 0.00 6.99 0.00 -0.69 -1.36 105.19 112.41 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 -1.58 1.36 3.67 -0.02 0.00 0.13 -4.78 105.19 103.96 2qrw n GLY 58 Ca 0.00 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 1.63 -1.01 1.61 -0.02 -1.26 -4.54 135.00 131.41 2qrw n PRO 59 Ca 0.00 0.59 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 2qrw n PRO 59 Cb 0.00 -2.27 0.27 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.10 3.41 -0.01 -0.52 1.74 -1.26 -3.24 116.66 116.68 2qrw n ARG 60 Ca 0.08 -2.90 0.03 0.00 -0.77 0.00 0.00 57.85 54.29 2qrw n ARG 60 Cb 0.40 -2.17 0.38 0.00 -1.02 0.00 0.00 32.46 30.06 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 2.33 1.13 -0.18 0.55 2.02 -1.90 -2.87 112.91 113.99 2qrw h THR 61 Ca 0.31 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2qrw h THR 61 Cb 2.34 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 69.29 2qrw h THR 61 CO 0.76 0.15 -0.27 0.22 0.37 0.00 0.00 175.52 176.75 2qrw h TYR 62 N 0.56 -0.72 -0.38 3.16 3.20 -1.79 -0.86 116.97 120.14 2qrw h TYR 62 Ca 0.14 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2qrw h TYR 62 Cb 0.04 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2qrw h TYR 62 CO 0.00 -0.34 0.08 0.66 -1.64 0.00 0.00 178.16 176.92 2qrw h SER 63 N -0.31 0.52 -0.34 -2.11 4.64 -1.70 0.12 113.55 114.38 2qrw h SER 63 Ca 0.12 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 2qrw h SER 63 Cb 0.49 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2qrw h SER 63 CO -0.36 0.54 0.03 -0.33 -0.87 0.00 0.00 176.83 175.83 2qrw h GLU 64 N 0.55 0.58 0.05 4.77 5.08 -1.36 -0.13 114.58 124.12 2qrw h GLU 64 Ca 0.13 -0.17 -0.24 0.00 -1.00 0.00 0.00 59.36 58.08 2qrw h GLU 64 Cb 0.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2qrw h GLU 64 CO -0.00 0.68 -1.09 1.96 -1.00 0.00 0.00 179.01 179.56 2qrw h GLN 65 N 0.40 0.12 0.00 2.33 1.08 -0.81 -3.40 115.11 114.83 2qrw h GLN 65 Ca 0.10 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2qrw h GLN 65 Cb 0.41 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2qrw h GLN 65 CO 0.01 1.09 -0.09 0.54 -0.95 0.00 0.00 178.83 179.43 2qrw n ARG 66 N -3.44 5.91 0.00 1.46 5.12 0.39 -5.11 116.66 121.00 2qrw n ARG 66 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2qrw n ARG 66 Cb 0.97 -0.51 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 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 1.06 -0.95 3.66 -0.13 0.00 -0.06 -4.81 105.19 103.96 2qrw n GLY 67 Ca 0.00 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.06 1.76 -0.35 1.61 8.25 -1.26 -4.31 115.22 120.86 2qrw n HIS 68 Ca 0.00 0.56 0.05 0.00 -0.26 0.00 0.00 57.72 58.07 2qrw n HIS 68 Cb 0.00 -2.32 0.21 0.00 1.12 0.00 0.00 29.99 28.99 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 2.03 0.96 -6.72 -0.41 0.11 -1.97 -3.46 132.00 122.55 2qrw h PRO 69 Ca -0.45 -0.06 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 2qrw h PRO 69 Cb 1.31 -0.22 -0.10 0.00 0.11 0.00 0.00 31.00 32.11 2qrw h PRO 69 CO 0.60 0.64 -0.93 0.54 -0.21 0.00 0.00 178.00 178.63 2qrw n ARG 70 N -4.62 -2.15 -0.03 1.05 1.74 -1.26 -4.73 116.66 106.65 2qrw n ARG 70 Ca 0.17 0.27 -0.01 0.00 -0.77 0.00 0.00 57.85 57.51 2qrw n ARG 70 Cb 0.30 -4.04 0.26 0.00 -1.02 0.00 0.00 32.46 27.96 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 -1.87 0.57 -0.27 0.55 3.38 -1.98 -1.50 115.31 114.18 2qrw h LEU 71 Ca -0.65 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.26 2qrw h LEU 71 Cb 1.39 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2qrw h LEU 71 CO 0.64 0.64 -0.03 0.03 0.09 0.00 0.00 178.44 179.81 2qrw h ARG 72 N 0.58 0.04 -0.08 1.13 2.47 -1.93 0.49 114.38 117.08 2qrw h ARG 72 Ca 0.12 -0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.71 2qrw h ARG 72 Cb 0.36 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2qrw h ARG 72 CO 0.01 0.03 -0.54 0.52 0.56 0.00 0.00 179.97 180.55 2qrw h MET 73 N 0.04 0.24 0.00 0.04 2.86 -1.81 -1.49 114.93 114.81 2qrw h MET 73 Ca 0.13 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 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 -0.24 0.72 -0.18 0.00 1.06 0.00 0.00 176.91 178.26 2qrw h ARG 74 N 0.18 0.00 -0.01 1.72 3.08 -0.86 -2.76 114.38 115.73 2qrw h ARG 74 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qrw h ARG 74 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2qrw h ARG 74 CO 0.08 0.18 -0.49 0.72 -1.07 0.00 0.00 179.97 179.40 2qrw n HIS 75 N -3.41 0.00 -0.14 3.04 8.25 0.13 -4.45 115.22 118.63 2qrw n HIS 75 Ca -0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2qrw n HIS 75 Cb 0.38 -0.05 0.50 0.00 1.12 0.00 0.00 29.99 31.94 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 3.66 2.08 0.00 -1.41 0.00 -0.97 -0.93 119.26 121.69 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 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qrw h ALA 76 CO 0.00 -0.26 0.00 -2.30 0.00 0.00 0.00 179.25 176.69 2qrw n PRO 77 N -4.47 0.15 -4.65 0.00 -0.02 -1.26 -4.73 135.00 120.01 2qrw n PRO 77 Ca 0.13 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 2qrw n PRO 77 Cb 0.47 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.41 2.81 -0.74 6.00 0.40 -0.35 -5.06 117.98 117.62 2qrw s PHE 78 Ca 0.01 -0.08 -0.23 0.00 -0.60 0.00 0.00 56.93 56.02 2qrw s PHE 78 Cb 0.07 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 42.04 2qrw s PHE 78 CO 0.26 0.30 1.11 1.03 0.70 0.00 0.00 175.22 178.62 2qrw s ARG 79 N -1.07 3.23 -0.47 0.44 0.52 -1.26 -4.91 118.95 115.43 2qrw s ARG 79 Ca 0.14 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.40 2qrw s ARG 79 Cb -0.11 -4.39 0.08 0.00 0.52 0.00 0.00 34.95 31.05 2qrw s ARG 79 CO 0.04 -1.93 0.38 0.42 0.02 0.00 0.00 175.30 174.22 2qrw s ILE 80 N 4.43 4.95 0.45 1.52 1.01 -1.26 -4.90 121.20 127.39 2qrw s ILE 80 Ca 0.29 -1.24 0.07 0.00 0.00 0.00 0.00 60.65 59.77 2qrw s ILE 80 Cb -0.12 -4.02 0.07 0.00 0.01 0.00 0.00 42.46 38.41 2qrw s ILE 80 CO 0.07 -0.61 0.62 -1.54 0.00 0.00 0.00 174.94 173.47 2qrw n SER 81 N 5.13 1.67 -0.11 3.58 3.41 -1.26 -1.10 113.62 124.95 2qrw n SER 81 Ca -0.12 -2.21 0.18 0.00 -0.26 0.00 0.00 58.87 56.46 2qrw n SER 81 Cb 0.43 -0.32 0.58 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.23 -0.26 1.04 3.38 -1.88 -0.74 115.31 117.08 2qrw h LEU 82 Ca -0.21 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2qrw h LEU 82 Cb 0.97 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2qrw h LEU 82 CO 0.31 0.12 0.14 0.40 0.09 0.00 0.00 178.44 179.49 2qrw h ILE 83 N 0.24 1.01 -0.30 1.22 2.04 -1.95 -0.28 117.51 119.48 2qrw h ILE 83 Ca 0.33 -0.10 -0.18 0.00 1.00 0.00 0.00 64.86 65.91 2qrw h ILE 83 Cb 0.95 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2qrw h ILE 83 CO -0.07 0.05 -0.50 -0.33 0.00 0.00 0.00 178.15 177.30 2qrw h GLU 84 N 0.29 0.86 -0.12 2.37 3.07 -1.72 -1.63 114.58 117.70 2qrw h GLU 84 Ca 0.10 -0.52 0.04 0.00 -0.50 0.00 0.00 59.36 58.49 2qrw h GLU 84 Cb 0.02 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 2qrw h GLU 84 CO -0.06 1.15 -0.14 -0.09 -1.40 0.00 0.00 179.01 178.47 2qrw h ARG 85 N 0.67 -0.17 -0.60 2.33 2.43 -1.06 -0.14 114.38 117.83 2qrw h ARG 85 Ca 0.03 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2qrw h ARG 85 Cb 1.10 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 2qrw h ARG 85 CO 0.11 -0.11 0.13 -0.44 -1.51 0.00 0.00 179.97 178.15 2qrw h ASP 86 N -0.18 0.89 -0.51 -3.80 3.45 -0.99 -1.07 116.42 114.21 2qrw h ASP 86 Ca 0.09 -0.18 -0.07 0.00 0.43 0.00 0.00 57.03 57.30 2qrw h ASP 86 Cb 0.30 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 2qrw h ASP 86 CO -0.22 0.87 0.07 0.00 -1.57 0.00 0.00 179.24 178.39 2qrw h ALA 87 N 1.24 0.68 -0.26 3.45 0.00 -1.04 -0.69 119.26 122.64 2qrw h ALA 87 Ca 0.19 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qrw h ALA 87 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2qrw h ALA 87 CO 0.00 0.43 0.16 0.35 0.00 0.00 0.00 179.25 180.19 2qrw h PHE 88 N 0.73 0.30 -0.61 0.00 3.57 -0.72 -1.71 116.94 118.50 2qrw h PHE 88 Ca 0.15 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2qrw h PHE 88 Cb 0.43 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2qrw h PHE 88 CO 0.03 0.18 0.14 -0.07 -2.23 0.00 0.00 178.31 176.37 2qrw h LEU 89 N 0.33 0.89 -0.28 0.59 3.38 -1.01 -1.02 115.31 118.18 2qrw h LEU 89 Ca 0.10 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2qrw h LEU 89 Cb -0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2qrw h LEU 89 CO -0.04 0.87 0.17 0.03 0.09 0.00 0.00 178.44 179.56 2qrw h ARG 90 N 0.91 0.35 -0.56 1.13 3.08 -0.82 0.24 114.38 118.71 2qrw h ARG 90 Ca 0.19 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 2qrw h ARG 90 Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2qrw h ARG 90 CO 0.00 0.23 0.11 0.00 -1.07 0.00 0.00 179.97 179.24 2qrw h MET 92 N 0.81 0.80 -0.96 0.00 2.86 -0.98 -1.48 114.93 115.97 2qrw h MET 92 Ca 0.17 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2qrw h MET 92 Cb 0.38 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 2qrw h MET 92 CO 0.01 0.81 0.63 0.45 1.06 0.00 0.00 176.91 179.87 2qrw h HIS 93 N 0.67 1.19 -0.25 -0.22 -0.00 -0.33 0.15 115.15 116.35 2qrw h HIS 93 Ca 0.14 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2qrw h HIS 93 Cb 0.41 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 2qrw h HIS 93 CO 0.03 0.71 0.12 1.15 -0.00 0.00 0.00 177.93 179.94 2qrw h THR 94 N 1.25 1.15 -0.53 2.45 2.02 -1.10 0.29 112.91 118.43 2qrw h THR 94 Ca 0.37 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2qrw h THR 94 Cb -0.06 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 2qrw h THR 94 CO -0.10 0.15 0.31 0.00 0.37 0.00 0.00 175.52 176.24 2qrw h ALA 95 N 0.98 0.68 -0.57 6.16 0.00 -0.71 -2.46 119.26 123.34 2qrw h ALA 95 Ca 0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2qrw h ALA 95 Cb 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2qrw h ALA 95 CO -0.01 0.18 -0.07 0.28 0.00 0.00 0.00 179.25 179.63 2qrw h VAL 96 N 0.71 1.27 0.00 0.00 2.07 -0.55 -2.80 116.25 116.95 2qrw h VAL 96 Ca 0.19 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2qrw h VAL 96 Cb 0.02 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2qrw h VAL 96 CO -0.03 0.44 -0.02 0.00 0.02 0.00 0.00 177.57 177.98 2qrw h ALA 97 N 0.96 1.09 0.00 1.67 0.00 -0.71 -1.38 119.26 120.89 2qrw h ALA 97 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qrw h ALA 97 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qrw h ALA 97 CO 0.04 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 2qrw n SER 98 N -3.24 0.00 -4.69 0.00 3.41 -0.95 -4.73 113.62 103.42 2qrw n SER 98 Ca -0.02 0.11 -0.39 0.00 -0.26 0.00 0.00 58.87 58.31 2qrw n SER 98 Cb 0.15 -0.36 -0.06 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 -2.73 5.14 0.91 -1.33 -1.09 -0.52 -5.06 121.20 116.52 2qrw s ILE 99 Ca 0.22 1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 59.53 2qrw s ILE 99 Cb 0.19 -3.85 0.14 0.00 -1.58 0.00 0.00 42.46 37.36 2qrw s ILE 99 CO 0.46 0.25 1.09 1.51 -1.23 0.00 0.00 174.94 177.02 2qrw s ASP 100 N 0.87 3.27 0.17 3.58 1.47 -1.26 -4.80 116.67 119.98 2qrw s ASP 100 Ca 0.26 1.62 0.26 0.00 1.18 0.00 0.00 52.55 55.88 2qrw s ASP 100 Cb -0.15 -2.28 0.77 0.00 -0.34 0.00 0.00 42.92 40.91 2qrw s ASP 100 CO 0.11 -2.79 1.71 -1.54 0.68 0.00 0.00 175.17 173.34 2qrw n SER 101 N -3.99 0.72 -0.02 2.11 3.41 -1.26 -1.65 113.62 112.93 2qrw n SER 101 Ca 0.07 0.48 -0.12 0.00 -0.26 0.00 0.00 58.87 59.04 2qrw n SER 101 Cb 0.54 -0.59 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2qrw n SER 101 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2qrw h GLU 102 N 0.00 0.68 -0.00 4.33 4.81 -1.98 -3.11 114.58 119.30 2qrw h GLU 102 Ca 0.00 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 2qrw h GLU 102 Cb 0.71 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2qrw h GLU 102 CO 0.00 1.07 -0.16 1.15 -0.73 0.00 0.00 179.01 180.34 2qrw h THR 103 N 0.51 1.58 -3.57 0.32 2.02 -1.89 -3.42 112.91 108.46 2qrw h THR 103 Ca 0.00 -1.91 -0.65 0.00 0.77 0.00 0.00 66.41 64.62 2qrw h THR 103 Cb 1.17 2.81 -0.40 0.00 -1.74 0.00 0.00 68.15 69.98 2qrw h THR 103 CO 0.12 0.51 -0.70 -0.22 0.37 0.00 0.00 175.52 175.60 2qrw s LEU 104 N -8.56 4.48 0.81 2.58 2.96 -0.66 -4.40 118.68 115.89 2qrw s LEU 104 Ca -0.17 -2.38 -0.11 0.00 -0.22 0.00 0.00 54.13 51.25 2qrw s LEU 104 Cb 0.00 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 45.18 2qrw s LEU 104 CO 0.72 -0.34 1.10 1.51 -1.32 0.00 0.00 176.35 178.02 2qrw s ASP 105 N 0.59 4.41 0.32 3.68 1.47 -1.18 -4.20 116.67 121.76 2qrw s ASP 105 Ca 0.13 1.31 0.07 0.00 1.18 0.00 0.00 52.55 55.23 2qrw s ASP 105 Cb -0.21 -2.04 0.75 0.00 -0.34 0.00 0.00 42.92 41.09 2qrw s ASP 105 CO -0.06 -2.02 1.80 0.44 0.68 0.00 0.00 175.17 176.00 2qrw h ASP 106 N -1.13 0.76 0.86 2.11 3.32 -1.98 0.03 116.42 120.40 2qrw h ASP 106 Ca -0.47 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 2qrw h ASP 106 Cb 1.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2qrw h ASP 106 CO 0.59 0.30 -0.47 -0.08 -1.72 0.00 0.00 179.24 177.86 2qrw h GLU 107 N 0.76 -1.19 -0.76 3.56 4.81 -1.99 -1.37 114.58 118.40 2qrw h GLU 107 Ca 0.55 0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.81 2qrw h GLU 107 Cb 0.87 0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2qrw h GLU 107 CO -0.33 -0.79 0.26 0.45 -0.73 0.00 0.00 179.01 177.86 2qrw h HIS 108 N -1.23 1.21 -0.32 0.92 3.86 -1.75 -1.53 115.15 116.31 2qrw h HIS 108 Ca -0.12 -0.11 0.05 0.00 -1.16 0.00 0.00 60.37 59.03 2qrw h HIS 108 Cb 0.97 -0.35 -0.05 0.00 1.06 0.00 0.00 27.41 29.04 2qrw h HIS 108 CO -0.06 0.94 0.04 -0.09 0.86 0.00 0.00 177.93 179.62 2qrw h ARG 109 N 1.13 0.14 -0.57 2.45 2.43 -1.00 -0.71 114.38 118.25 2qrw h ARG 109 Ca 0.25 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2qrw h ARG 109 Cb 0.28 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2qrw h ARG 109 CO -0.01 0.09 0.12 -0.09 -1.51 0.00 0.00 179.97 178.57 2qrw h ARG 110 N 0.14 0.93 -0.62 0.20 9.65 -0.83 -1.19 114.38 122.66 2qrw h ARG 110 Ca 0.15 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2qrw h ARG 110 Cb 0.18 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 2qrw h ARG 110 CO -0.22 0.88 0.35 1.49 2.80 0.00 0.00 179.97 185.27 2qrw h GLU 111 N 0.83 0.85 -0.17 0.20 4.81 -1.00 -0.09 114.58 120.02 2qrw h GLU 111 Ca 0.18 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2qrw h GLU 111 Cb 0.38 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2qrw h GLU 111 CO 0.01 0.64 0.07 1.25 -0.73 0.00 0.00 179.01 180.24 2qrw h LEU 112 N 0.84 0.23 -0.66 1.64 5.85 -0.93 -1.78 115.31 120.50 2qrw h LEU 112 Ca 0.22 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 2qrw h LEU 112 Cb 0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2qrw h LEU 112 CO -0.04 0.33 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.22 2qrw h LEU 113 N 0.11 0.94 -0.98 2.25 3.38 -1.11 -1.10 115.31 118.79 2qrw h LEU 113 Ca 0.06 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2qrw h LEU 113 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2qrw h LEU 113 CO -0.00 1.05 0.49 0.44 0.09 0.00 0.00 178.44 180.51 2qrw h ASP 114 N 0.84 1.07 -0.07 -0.43 3.45 -0.96 -0.81 116.42 119.51 2qrw h ASP 114 Ca 0.14 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 2qrw h ASP 114 Cb 0.64 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 2qrw h ASP 114 CO 0.04 0.85 0.03 0.22 -1.57 0.00 0.00 179.24 178.82 2qrw h TYR 115 N 1.21 0.10 -0.67 4.55 5.03 -0.94 -2.15 116.97 124.11 2qrw h TYR 115 Ca 0.31 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.56 2qrw h TYR 115 Cb 0.01 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 2qrw h TYR 115 CO 0.01 0.20 0.21 -0.07 -1.32 0.00 0.00 178.16 177.18 2qrw h LEU 116 N -0.02 0.96 -0.00 2.82 3.38 -0.92 0.93 115.31 122.46 2qrw h LEU 116 Ca 0.02 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qrw h LEU 116 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2qrw h LEU 116 CO -0.00 0.90 -0.08 -0.33 0.09 0.00 0.00 178.44 179.01 2qrw h GLU 117 N 1.00 -0.14 -0.34 1.13 4.39 -1.13 0.83 114.58 120.31 2qrw h GLU 117 Ca 0.22 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 2qrw h GLU 117 Cb 0.29 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2qrw h GLU 117 CO -0.01 -0.09 0.10 1.98 -1.16 0.00 0.00 179.01 179.83 2qrw h MET 118 N -0.15 0.53 -0.47 2.33 4.05 -1.00 -2.42 114.93 117.80 2qrw h MET 118 Ca 0.03 -0.12 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 2qrw h MET 118 Cb 0.19 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2qrw h MET 118 CO -0.09 0.56 0.06 0.00 0.23 0.00 0.00 176.91 177.67 2qrw h ALA 119 N 0.94 0.62 -0.53 0.39 0.00 -0.73 -2.05 119.26 117.90 2qrw h ALA 119 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qrw h ALA 119 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2qrw h ALA 119 CO -0.00 0.36 0.33 0.00 0.00 0.00 0.00 179.25 179.93 2qrw h ALA 120 N 0.95 0.68 -0.57 0.00 0.00 -0.77 -2.12 119.26 117.43 2qrw h ALA 120 Ca 0.14 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2qrw h ALA 120 Cb 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2qrw h ALA 120 CO 0.01 0.16 0.38 0.45 0.00 0.00 0.00 179.25 180.25 2qrw h HIS 121 N 0.72 0.53 -0.00 0.00 3.86 -1.23 -1.87 115.15 117.16 2qrw h HIS 121 Ca 0.19 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2qrw h HIS 121 Cb -0.02 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2qrw h HIS 121 CO -0.03 0.29 -0.02 -1.13 0.86 0.00 0.00 177.93 177.90 2qrw n SER 122 N -4.47 0.05 -0.90 2.45 3.41 -0.79 -3.11 113.62 110.25 2qrw n SER 122 Ca 0.08 0.04 0.10 0.00 -0.26 0.00 0.00 58.87 58.83 2qrw n SER 122 Cb 0.24 -0.33 0.15 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.34 2.99 -4.71 1.04 4.77 -0.71 -4.93 117.00 114.11 2qrw n LEU 123 Ca 0.12 -1.38 -0.42 0.00 -0.03 0.00 0.00 56.01 54.30 2qrw n LEU 123 Cb 0.28 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2qrw n LEU 123 CO 0.25 0.62 1.24 -0.69 -1.33 0.00 0.00 177.39 177.48 2qrw s VAL 124 N -1.38 2.82 0.00 4.08 1.01 -1.18 -4.77 120.40 120.98 2qrw s VAL 124 Ca 0.29 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2qrw s VAL 124 Cb 0.18 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2qrw s VAL 124 CO 0.25 0.03 0.43 -0.46 0.00 0.00 0.00 175.10 175.35 2qrw n ASN 125 N 4.41 0.29 -3.81 3.32 2.04 -0.25 -5.03 115.26 116.24 2qrw n ASN 125 Ca 0.14 -1.12 -0.12 0.00 -0.44 0.00 0.00 54.58 53.04 2qrw n ASN 125 Cb 0.39 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.55 2qrw n ASN 125 CO 0.00 0.00 0.00 -0.44 -0.44 0.00 0.00 177.26 176.38 2qrw s SER 126 N -0.12 -0.10 0.48 0.53 0.01 -0.94 -4.83 113.70 108.74 2qrw s SER 126 Ca 0.00 -0.02 0.28 0.00 1.31 0.00 0.00 55.95 57.52 2qrw s SER 126 Cb 0.00 0.28 0.95 0.00 0.21 0.00 0.00 66.02 67.46 2qrw s SER 126 CO 0.00 -0.39 1.83 1.55 0.41 0.00 0.00 173.24 176.64 2qrw h PRO 127 N 4.15 0.00 0.00 12.44 0.13 -1.98 -3.35 132.00 143.39 2qrw h PRO 127 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2qrw h PRO 127 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2qrw h PRO 127 CO 0.40 0.09 0.00 1.97 -0.23 0.00 0.00 178.00 180.23