#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 5.67 0.25 3.14 1.04 -1.26 -4.84 113.70 117.70 2qrw s SER 4 Ca 0.00 1.99 -0.02 0.00 0.48 0.00 0.00 55.95 58.39 2qrw s SER 4 Cb 0.00 -2.56 0.48 0.00 0.10 0.00 0.00 66.02 64.05 2qrw s SER 4 CO 0.00 -1.25 1.77 0.15 0.98 0.00 0.00 173.24 174.89 2qrw h PHE 5 N 0.72 0.73 0.11 5.02 3.57 -1.93 0.30 116.94 125.46 2qrw h PHE 5 Ca -0.48 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.06 2qrw h PHE 5 Cb 1.24 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2qrw h PHE 5 CO 0.55 0.19 -0.15 -0.92 -2.23 0.00 0.00 178.31 175.75 2qrw h TYR 6 N 0.62 -0.40 -0.58 0.41 3.20 -1.58 -1.54 116.97 117.09 2qrw h TYR 6 Ca 0.44 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.24 2qrw h TYR 6 Cb 0.58 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2qrw h TYR 6 CO -0.10 -0.23 0.08 -0.44 -1.64 0.00 0.00 178.16 175.83 2qrw h ASP 7 N -0.31 0.94 -0.52 -2.11 3.32 -1.75 0.92 116.42 116.90 2qrw h ASP 7 Ca 0.02 -0.27 0.13 0.00 0.02 0.00 0.00 57.03 56.93 2qrw h ASP 7 Cb 0.32 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2qrw h ASP 7 CO -0.07 0.97 0.37 0.00 -1.72 0.00 0.00 179.24 178.79 2qrw h ALA 8 N 1.00 2.32 -0.67 3.45 0.00 0.15 -2.41 119.26 123.10 2qrw h ALA 8 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qrw h ALA 8 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qrw h ALA 8 CO 0.01 -0.46 0.00 1.33 0.00 0.00 0.00 179.25 180.14 2qrw n VAL 9 N -4.42 1.00 0.00 0.00 0.24 -0.63 -4.90 118.33 109.61 2qrw n VAL 9 Ca 0.09 -1.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 2qrw n VAL 9 Cb 0.51 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 1.47 0.60 7.00 7.63 0.00 -0.91 -4.60 105.19 116.38 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 -1.44 1.96 0.23 -0.02 0.00 0.30 -3.73 105.19 102.49 2qrw n GLY 11 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.75 0.76 -0.76 4.61 0.00 -1.96 -1.52 119.26 119.65 2qrw h ALA 12 Ca 0.00 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.11 2qrw h ALA 12 Cb 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 2qrw h ALA 12 CO 0.00 -0.26 0.42 -0.22 0.00 0.00 0.00 179.25 179.19 2qrw h LYS 13 N 0.32 0.71 -0.22 0.00 3.64 -1.98 0.17 116.57 119.22 2qrw h LYS 13 Ca 0.32 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2qrw h LYS 13 Cb 0.45 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2qrw h LYS 13 CO -0.37 0.47 -0.16 1.15 -2.27 0.00 0.00 179.45 178.27 2qrw h THR 14 N 0.73 1.32 -0.30 1.00 2.02 -1.40 -1.79 112.91 114.48 2qrw h THR 14 Ca 0.36 -1.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 2qrw h THR 14 Cb 0.31 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2qrw h THR 14 CO -0.23 0.39 -0.20 -0.26 0.37 0.00 0.00 175.52 175.59 2qrw h PHE 15 N 0.18 0.61 -0.31 3.16 0.04 -1.11 -0.34 116.94 119.17 2qrw h PHE 15 Ca 0.04 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 2qrw h PHE 15 Cb 0.68 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2qrw h PHE 15 CO 0.07 0.72 0.14 0.22 -0.60 0.00 0.00 178.31 178.85 2qrw h ASP 16 N 0.50 0.42 0.18 2.17 -0.00 -0.63 -1.51 116.42 117.54 2qrw h ASP 16 Ca 0.08 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.03 56.96 2qrw h ASP 16 Cb 0.62 -0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.83 2qrw h ASP 16 CO 0.04 0.46 -0.13 0.00 -0.00 0.00 0.00 179.24 179.60 2qrw h ALA 17 N 0.98 -0.30 0.22 -0.78 0.00 -0.99 -0.32 119.26 118.06 2qrw h ALA 17 Ca 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qrw h ALA 17 Cb 0.16 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2qrw h ALA 17 CO -0.01 -0.68 -0.33 0.82 0.00 0.00 0.00 179.25 179.05 2qrw h ILE 18 N -0.32 0.31 -0.24 0.00 2.04 -1.02 -0.86 117.51 117.42 2qrw h ILE 18 Ca -0.01 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 2qrw h ILE 18 Cb 0.28 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2qrw h ILE 18 CO -0.00 0.00 -0.32 0.58 0.00 0.00 0.00 178.15 178.40 2qrw h VAL 19 N -0.62 1.28 -0.33 1.67 2.07 -1.23 0.22 116.25 119.32 2qrw h VAL 19 Ca 0.01 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 2qrw h VAL 19 Cb 0.60 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2qrw h VAL 19 CO -0.13 0.45 0.08 -1.28 0.02 0.00 0.00 177.57 176.71 2qrw h SER 20 N 0.43 0.50 -0.34 0.57 0.87 -0.96 -1.17 113.55 113.45 2qrw h SER 20 Ca 0.05 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.24 2qrw h SER 20 Cb 0.78 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 2qrw h SER 20 CO 0.06 0.60 -0.32 0.03 -0.53 0.00 0.00 176.83 176.67 2qrw h ARG 21 N 0.38 0.88 -0.25 2.24 3.08 -0.69 -2.14 114.38 117.88 2qrw h ARG 21 Ca 0.10 -0.42 0.06 0.00 0.07 0.00 0.00 59.98 59.79 2qrw h ARG 21 Cb 0.29 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 2qrw h ARG 21 CO 0.00 1.07 -0.15 0.35 -1.07 0.00 0.00 179.97 180.17 2qrw h PHE 22 N 0.73 -0.37 -0.33 3.04 3.57 -0.42 -1.52 116.94 121.65 2qrw h PHE 22 Ca 0.08 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2qrw h PHE 22 Cb 0.89 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2qrw h PHE 22 CO 0.05 -0.22 0.09 1.88 -2.23 0.00 0.00 178.31 177.89 2qrw h TYR 23 N -0.13 0.47 -0.59 0.41 0.05 -1.03 -0.19 116.97 115.95 2qrw h TYR 23 Ca 0.14 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 2qrw h TYR 23 Cb 0.33 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 2qrw h TYR 23 CO -0.32 0.40 0.28 0.00 -1.05 0.00 0.00 178.16 177.47 2qrw h ALA 24 N 1.64 0.76 -0.57 3.88 0.00 -1.01 -2.00 119.26 121.96 2qrw h ALA 24 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2qrw h ALA 24 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2qrw h ALA 24 CO -0.01 0.33 0.24 1.96 0.00 0.00 0.00 179.25 181.78 2qrw h GLN 25 N 0.81 0.85 -0.68 0.00 1.08 -0.52 -2.89 115.11 113.76 2qrw h GLN 25 Ca 0.20 -0.14 0.10 0.00 -1.45 0.00 0.00 58.65 57.36 2qrw h GLN 25 Cb 0.12 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.34 2qrw h GLN 25 CO -0.03 0.72 0.30 0.28 -0.95 0.00 0.00 178.83 179.16 2qrw h VAL 26 N 0.78 0.80 -0.36 -0.54 2.07 -0.82 -1.15 116.25 117.04 2qrw h VAL 26 Ca 0.19 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2qrw h VAL 26 Cb 0.17 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2qrw h VAL 26 CO -0.02 0.09 0.24 0.00 0.02 0.00 0.00 177.57 177.91 2qrw h ALA 27 N 1.43 1.88 -0.28 1.67 0.00 -1.15 -0.96 119.26 121.85 2qrw h ALA 27 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2qrw h ALA 27 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qrw h ALA 27 CO -0.29 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.42 2qrw n GLU 28 N -4.49 2.24 -3.35 0.00 1.02 -0.54 -4.82 120.64 110.70 2qrw n GLU 28 Ca 0.03 -1.87 -0.39 0.00 -0.02 0.00 0.00 57.16 54.91 2qrw n GLU 28 Cb 0.16 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.57 6.31 0.54 1.62 -1.08 -0.37 -4.95 116.67 117.18 2qrw s ASP 29 Ca 0.36 0.37 0.26 0.00 -0.52 0.00 0.00 52.55 53.01 2qrw s ASP 29 Cb 0.21 -2.23 1.53 0.00 -1.46 0.00 0.00 42.92 40.97 2qrw s ASP 29 CO 0.30 -0.20 2.15 -0.33 0.52 0.00 0.00 175.17 177.60 2qrw h GLU 30 N 8.07 0.00 0.00 4.34 3.07 -1.91 0.10 114.58 128.25 2qrw h GLU 30 Ca -0.31 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.46 2qrw h GLU 30 Cb 1.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 2qrw h GLU 30 CO 0.67 0.07 -0.46 0.28 -1.40 0.00 0.00 179.01 178.17 2qrw h VAL 31 N 0.00 1.45 0.00 3.13 2.07 -1.92 -3.41 116.25 117.57 2qrw h VAL 31 Ca -0.00 -2.27 -0.09 0.00 0.82 0.00 0.00 66.70 65.17 2qrw h VAL 31 Cb 0.16 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2qrw h VAL 31 CO 0.01 0.49 -0.84 -0.07 0.02 0.00 0.00 177.57 177.18 2qrw h LEU 32 N -1.00 0.00 -1.56 2.57 3.38 -1.76 -3.33 115.31 113.61 2qrw h LEU 32 Ca -0.13 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.22 2qrw h LEU 32 Cb 1.10 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.75 2qrw h LEU 32 CO -0.08 0.34 0.84 0.03 0.09 0.00 0.00 178.44 179.66 2qrw h ARG 33 N 0.00 0.16 -0.14 1.13 3.08 -0.78 0.56 114.38 118.39 2qrw h ARG 33 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2qrw h ARG 33 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2qrw h ARG 33 CO 0.03 0.11 0.00 0.54 -1.07 0.00 0.00 179.97 179.58 2qrw n ARG 34 N -4.50 2.20 -0.12 0.04 1.74 -1.25 -4.41 116.66 110.36 2qrw n ARG 34 Ca 0.31 -2.65 -0.24 0.00 -0.77 0.00 0.00 57.85 54.50 2qrw n ARG 34 Cb 1.26 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.96 2qrw n ARG 34 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qrw n VAL 35 N -0.88 1.38 -2.45 1.55 0.31 0.16 -5.00 118.33 113.40 2qrw n VAL 35 Ca 0.18 -0.41 -0.35 0.00 -0.01 0.00 0.00 64.34 63.75 2qrw n VAL 35 Cb 0.74 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 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 -2.47 2.99 -0.27 3.52 1.51 -1.02 -4.91 117.35 116.71 2qrw s TYR 36 Ca -0.34 1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 57.01 2qrw s TYR 36 Cb 0.12 -3.17 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 2qrw s TYR 36 CO 0.48 -1.02 1.58 -1.25 -1.11 0.00 0.00 175.55 174.23 2qrw s PRO 37 N -2.97 3.71 0.51 -1.71 0.04 -1.26 -4.86 135.00 128.46 2qrw s PRO 37 Ca 0.65 1.49 0.25 0.00 0.04 0.00 0.00 61.00 63.44 2qrw s PRO 37 Cb -0.21 -4.04 1.35 0.00 0.04 0.00 0.00 34.50 31.64 2qrw s PRO 37 CO 0.25 -1.40 1.95 1.49 0.04 0.00 0.00 177.00 179.34 2qrw h GLU 38 N 10.90 0.08 -0.25 4.56 4.22 -1.91 -2.05 114.58 130.14 2qrw h GLU 38 Ca -0.32 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.11 2qrw h GLU 38 Cb 1.14 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2qrw h GLU 38 CO 1.02 0.05 0.00 -0.40 -2.18 0.00 0.00 179.01 177.50 2qrw n ASP 39 N -4.37 3.08 -1.84 1.04 3.85 -1.26 -4.40 116.55 112.64 2qrw n ASP 39 Ca 0.13 -1.95 0.02 0.00 -0.71 0.00 0.00 54.79 52.28 2qrw n ASP 39 Cb 0.69 -0.15 0.02 0.00 -1.35 0.00 0.00 41.12 40.33 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 1.29 0.91 -0.04 -1.12 2.03 -0.78 -4.91 116.55 113.93 2qrw n ASP 40 Ca 0.18 -2.01 -0.04 0.00 0.52 0.00 0.00 54.79 53.43 2qrw n ASP 40 Cb 0.57 -0.27 0.18 0.00 -0.72 0.00 0.00 41.12 40.88 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 1.34 0.63 -0.13 -2.67 3.38 -1.75 -1.36 115.31 114.74 2qrw h LEU 41 Ca -0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2qrw h LEU 41 Cb 1.68 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2qrw h LEU 41 CO 0.08 0.78 0.06 0.00 0.09 0.00 0.00 178.44 179.45 2qrw h ALA 42 N 1.28 0.17 -0.13 1.53 0.00 -1.92 -2.26 119.26 117.93 2qrw h ALA 42 Ca 0.10 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2qrw h ALA 42 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qrw h ALA 42 CO 0.04 -0.26 -0.43 0.78 0.00 0.00 0.00 179.25 179.38 2qrw h GLY 43 N 0.07 0.33 0.96 0.00 0.00 -1.91 -2.51 103.07 100.01 2qrw h GLY 43 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2qrw h GLY 43 CO -0.00 0.30 0.18 0.00 0.00 0.00 0.00 176.54 177.01 2qrw h ALA 44 N 1.30 0.60 -0.66 3.60 0.00 -1.19 -2.13 119.26 120.78 2qrw h ALA 44 Ca 0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2qrw h ALA 44 Cb 0.86 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2qrw h ALA 44 CO 0.07 0.21 0.21 1.49 0.00 0.00 0.00 179.25 181.23 2qrw h GLU 45 N 0.60 1.02 -0.44 0.00 4.81 -1.19 -1.81 114.58 117.57 2qrw h GLU 45 Ca 0.15 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2qrw h GLU 45 Cb 0.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2qrw h GLU 45 CO -0.01 0.89 0.25 1.49 -0.73 0.00 0.00 179.01 180.89 2qrw h GLU 46 N 0.95 0.61 -0.65 1.92 4.81 -1.33 0.60 114.58 121.51 2qrw h GLU 46 Ca 0.21 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2qrw h GLU 46 Cb 0.29 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2qrw h GLU 46 CO -0.01 0.48 0.33 0.00 -0.73 0.00 0.00 179.01 179.08 2qrw h ARG 47 N 0.58 0.92 -0.37 1.92 3.08 -1.16 0.19 114.38 119.53 2qrw h ARG 47 Ca 0.16 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 2qrw h ARG 47 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2qrw h ARG 47 CO -0.03 0.72 -0.11 1.25 -1.07 0.00 0.00 179.97 180.73 2qrw h LEU 48 N 0.89 0.73 -0.21 3.04 5.85 -1.12 -0.77 115.31 123.72 2qrw h LEU 48 Ca 0.23 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2qrw h LEU 48 Cb 0.08 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2qrw h LEU 48 CO -0.03 0.94 -0.03 -0.09 -0.34 0.00 0.00 178.44 178.88 2qrw h ARG 49 N 0.52 0.03 -0.77 1.25 2.43 -0.65 -0.74 114.38 116.45 2qrw h ARG 49 Ca 0.09 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2qrw h ARG 49 Cb 0.62 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 2qrw h ARG 49 CO 0.04 0.02 0.36 0.52 -1.51 0.00 0.00 179.97 179.40 2qrw h MET 50 N 0.03 1.11 -0.15 0.20 0.00 -0.83 -0.26 114.93 115.03 2qrw h MET 50 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 59.70 59.63 2qrw h MET 50 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 31.60 31.54 2qrw h MET 50 CO -0.20 0.86 0.06 0.35 0.00 0.00 0.00 176.91 177.99 2qrw h PHE 51 N 1.10 0.22 -0.56 -0.22 3.57 -0.63 -1.55 116.94 118.87 2qrw h PHE 51 Ca 0.26 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 2qrw h PHE 51 Cb 0.13 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2qrw h PHE 51 CO 0.01 0.29 0.01 -0.07 -2.23 0.00 0.00 178.31 176.32 2qrw h LEU 52 N 0.10 0.93 -0.40 0.59 3.38 -0.85 0.11 115.31 119.16 2qrw h LEU 52 Ca 0.05 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2qrw h LEU 52 Cb 0.15 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2qrw h LEU 52 CO -0.00 0.98 0.11 -0.33 0.09 0.00 0.00 178.44 179.29 2qrw h GLU 53 N 0.89 0.25 -0.23 1.13 5.08 -0.95 -2.25 114.58 118.49 2qrw h GLU 53 Ca 0.17 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2qrw h GLU 53 Cb 0.50 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2qrw h GLU 53 CO 0.02 0.17 -0.02 0.37 -1.00 0.00 0.00 179.01 178.55 2qrw h GLN 54 N 0.26 0.43 -0.99 2.33 4.15 -0.97 0.44 115.11 120.76 2qrw h GLN 54 Ca 0.19 -0.15 0.09 0.00 0.77 0.00 0.00 58.65 59.55 2qrw h GLN 54 Cb 0.20 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.79 2qrw h GLN 54 CO -0.22 0.63 0.63 -0.92 -1.93 0.00 0.00 178.83 177.02 2qrw h TYR 55 N 0.18 1.15 -0.34 3.99 5.03 -0.59 -1.94 116.97 124.45 2qrw h TYR 55 Ca 0.06 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2qrw h TYR 55 Cb 0.45 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.36 2qrw h TYR 55 CO 0.04 0.53 0.00 0.91 -1.32 0.00 0.00 178.16 178.33 2qrw n TRP 56 N -4.55 0.98 -0.32 -3.82 7.02 -0.87 -4.86 117.44 111.02 2qrw n TRP 56 Ca 0.17 -0.36 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 2qrw n TRP 56 Cb 0.27 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 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 0.57 0.83 0.00 6.99 0.00 -0.73 -1.50 105.19 111.35 2qrw n GLY 57 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.32 0.43 3.64 -0.02 0.00 0.15 -4.81 105.19 102.26 2qrw n GLY 58 Ca 0.00 -1.64 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 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 1.73 -0.80 1.61 -0.02 -1.26 -4.60 135.00 131.66 2qrw n PRO 59 Ca 0.00 0.61 -0.07 0.00 -2.02 0.00 0.00 63.50 62.02 2qrw n PRO 59 Cb 0.00 -2.10 0.21 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.84 2.84 -0.02 -0.52 5.12 -1.26 -3.25 116.66 120.40 2qrw n ARG 60 Ca 0.08 -2.28 0.04 0.00 -1.93 0.00 0.00 57.85 53.77 2qrw n ARG 60 Cb 0.33 -1.96 0.42 0.00 -1.16 0.00 0.00 32.46 30.09 2qrw n ARG 60 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2qrw h THR 61 N 1.76 1.09 -0.17 0.55 2.02 -1.90 -2.96 112.91 113.31 2qrw h THR 61 Ca 0.26 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.29 2qrw h THR 61 Cb 2.03 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.86 2qrw h THR 61 CO 0.61 0.10 -0.15 0.22 0.37 0.00 0.00 175.52 176.68 2qrw h TYR 62 N 0.57 -0.38 -0.43 3.16 3.20 -1.78 -1.22 116.97 120.09 2qrw h TYR 62 Ca 0.17 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2qrw h TYR 62 Cb -0.01 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2qrw h TYR 62 CO -0.00 -0.22 -0.04 0.66 -1.64 0.00 0.00 178.16 176.93 2qrw h SER 63 N -0.17 0.69 -0.61 -2.11 4.64 -1.71 0.32 113.55 114.61 2qrw h SER 63 Ca 0.11 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2qrw h SER 63 Cb 0.32 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2qrw h SER 63 CO -0.27 0.79 0.33 -0.33 -0.87 0.00 0.00 176.83 176.47 2qrw h GLU 64 N 0.67 0.85 0.17 4.77 5.08 -1.43 0.58 114.58 125.27 2qrw h GLU 64 Ca 0.13 -0.10 -0.30 0.00 -1.00 0.00 0.00 59.36 58.09 2qrw h GLU 64 Cb 0.47 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.57 2qrw h GLU 64 CO 0.02 0.65 -1.35 1.96 -1.00 0.00 0.00 179.01 179.30 2qrw h GLN 65 N 0.82 0.37 0.00 2.33 1.08 -0.85 -3.39 115.11 115.46 2qrw h GLN 65 Ca 0.21 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2qrw h GLN 65 Cb 0.06 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2qrw h GLN 65 CO -0.03 1.30 0.00 0.54 -0.95 0.00 0.00 178.83 179.68 2qrw n ARG 66 N -3.59 6.31 0.00 1.46 5.12 0.11 -5.10 116.66 120.96 2qrw n ARG 66 Ca -0.12 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 2qrw n ARG 66 Cb 1.05 -0.54 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 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 0.91 -0.45 3.67 -0.13 0.00 0.20 -4.78 105.19 104.62 2qrw n GLY 67 Ca 0.00 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 1.97 -0.33 1.61 8.25 -1.26 -4.31 115.22 121.15 2qrw n HIS 68 Ca 0.00 0.56 0.03 0.00 -0.26 0.00 0.00 57.72 58.04 2qrw n HIS 68 Cb 0.00 -2.36 0.17 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 2.21 0.95 -6.88 -0.41 0.11 -1.97 -3.46 132.00 122.55 2qrw h PRO 69 Ca -0.46 -0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.02 2qrw h PRO 69 Cb 1.30 -0.21 -0.11 0.00 0.11 0.00 0.00 31.00 32.09 2qrw h PRO 69 CO 0.61 0.63 -0.96 0.54 -0.21 0.00 0.00 178.00 178.60 2qrw n ARG 70 N -4.62 -1.27 0.09 1.05 1.74 -1.26 -4.73 116.66 107.66 2qrw n ARG 70 Ca 0.14 0.17 -0.01 0.00 -0.77 0.00 0.00 57.85 57.39 2qrw n ARG 70 Cb 0.23 -3.55 0.26 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 -2.02 0.26 -0.37 0.55 3.38 -1.98 -0.96 115.31 114.17 2qrw h LEU 71 Ca -0.67 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.23 2qrw h LEU 71 Cb 1.39 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2qrw h LEU 71 CO 0.63 0.59 0.19 0.03 0.09 0.00 0.00 178.44 179.97 2qrw h ARG 72 N 0.23 0.37 -0.03 1.13 2.47 -1.94 0.39 114.38 117.00 2qrw h ARG 72 Ca 0.03 -0.02 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 2qrw h ARG 72 Cb 0.70 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2qrw h ARG 72 CO 0.05 0.25 -0.67 0.52 0.56 0.00 0.00 179.97 180.68 2qrw h MET 73 N 0.38 0.14 0.00 0.04 2.86 -1.79 -0.85 114.93 115.71 2qrw h MET 73 Ca 0.16 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2qrw h MET 73 Cb 0.06 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2qrw h MET 73 CO -0.11 0.76 -0.07 0.00 1.06 0.00 0.00 176.91 178.55 2qrw h ARG 74 N 0.10 0.00 -0.01 1.72 3.08 -0.81 -2.78 114.38 115.68 2qrw h ARG 74 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2qrw h ARG 74 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2qrw h ARG 74 CO 0.10 0.07 -0.48 0.72 -1.07 0.00 0.00 179.97 179.30 2qrw n HIS 75 N -3.15 0.00 -0.31 3.04 8.25 0.09 -4.45 115.22 118.69 2qrw n HIS 75 Ca 0.02 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.68 2qrw n HIS 75 Cb 0.43 -0.05 0.48 0.00 1.12 0.00 0.00 29.99 31.97 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 2.13 0.00 -1.41 0.00 -0.86 -0.47 119.26 122.31 2qrw h ALA 76 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qrw h ALA 76 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qrw h ALA 76 CO 0.00 -0.51 0.00 -2.30 0.00 0.00 0.00 179.25 176.44 2qrw n PRO 77 N -4.63 0.05 -4.62 0.00 -0.02 -1.26 -4.74 135.00 119.78 2qrw n PRO 77 Ca 0.24 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 2qrw n PRO 77 Cb 0.80 -1.64 -0.12 0.00 -0.02 0.00 0.00 33.50 32.52 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 -3.14 2.60 -0.73 6.00 0.40 -0.19 -5.07 117.98 117.85 2qrw s PHE 78 Ca 0.02 -0.23 -0.22 0.00 -0.60 0.00 0.00 56.93 55.90 2qrw s PHE 78 Cb 0.06 -1.48 0.08 0.00 0.51 0.00 0.00 43.02 42.19 2qrw s PHE 78 CO 0.18 0.27 1.03 1.03 0.70 0.00 0.00 175.22 178.43 2qrw s ARG 79 N -1.46 3.23 -0.44 0.44 0.52 -1.26 -4.91 118.95 115.06 2qrw s ARG 79 Ca 0.15 -1.00 -0.11 0.00 -0.52 0.00 0.00 55.73 54.25 2qrw s ARG 79 Cb -0.11 -4.41 0.08 0.00 0.52 0.00 0.00 34.95 31.04 2qrw s ARG 79 CO 0.06 -1.84 0.32 0.42 0.02 0.00 0.00 175.30 174.28 2qrw s ILE 80 N 3.91 4.57 0.21 1.52 1.01 -1.26 -4.90 121.20 126.25 2qrw s ILE 80 Ca 0.26 -1.34 0.03 0.00 0.00 0.00 0.00 60.65 59.60 2qrw s ILE 80 Cb -0.14 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.57 2qrw s ILE 80 CO 0.06 -0.57 0.27 -1.54 0.00 0.00 0.00 174.94 173.16 2qrw n SER 81 N 5.01 0.81 0.16 3.58 3.41 -1.25 -0.50 113.62 124.83 2qrw n SER 81 Ca -0.11 -1.55 0.10 0.00 -0.26 0.00 0.00 58.87 57.05 2qrw n SER 81 Cb 0.43 -0.14 0.61 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.18 1.04 3.38 -1.87 -0.81 115.31 116.96 2qrw h LEU 82 Ca -0.10 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2qrw h LEU 82 Cb 0.44 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2qrw h LEU 82 CO 0.14 0.06 0.11 0.40 0.09 0.00 0.00 178.44 179.24 2qrw h ILE 83 N 0.11 1.08 -0.24 1.22 2.04 -1.95 -0.19 117.51 119.58 2qrw h ILE 83 Ca 0.08 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.59 2qrw h ILE 83 Cb 0.20 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2qrw h ILE 83 CO -0.01 0.08 -0.46 -0.33 0.00 0.00 0.00 178.15 177.43 2qrw h GLU 84 N 0.21 0.62 -0.54 2.37 3.07 -1.77 -2.04 114.58 116.50 2qrw h GLU 84 Ca 0.07 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 2qrw h GLU 84 Cb 0.03 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 2qrw h GLU 84 CO -0.01 0.95 0.27 -0.09 -1.40 0.00 0.00 179.01 178.72 2qrw h ARG 85 N 0.50 0.78 -0.42 2.33 2.43 -0.96 -0.64 114.38 118.39 2qrw h ARG 85 Ca 0.03 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 2qrw h ARG 85 Cb 0.99 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2qrw h ARG 85 CO 0.09 0.63 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.46 2qrw h ASP 86 N 0.73 0.94 -0.44 -3.80 3.32 -0.98 -1.33 116.42 114.86 2qrw h ASP 86 Ca 0.19 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.78 2qrw h ASP 86 Cb 0.10 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2qrw h ASP 86 CO -0.03 1.15 -0.03 0.00 -1.72 0.00 0.00 179.24 178.61 2qrw h ALA 87 N 0.91 0.59 -0.25 3.45 0.00 -1.16 0.12 119.26 122.93 2qrw h ALA 87 Ca 0.09 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.76 2qrw h ALA 87 Cb 0.84 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2qrw h ALA 87 CO 0.07 0.41 -0.08 0.35 0.00 0.00 0.00 179.25 180.00 2qrw h PHE 88 N 0.63 -0.19 -0.32 0.00 3.57 -1.01 -0.21 116.94 119.41 2qrw h PHE 88 Ca 0.12 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 2qrw h PHE 88 Cb 0.54 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2qrw h PHE 88 CO 0.04 -0.14 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.65 2qrw h LEU 89 N -0.04 0.66 -0.32 0.59 3.38 -1.06 0.09 115.31 118.60 2qrw h LEU 89 Ca 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qrw h LEU 89 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2qrw h LEU 89 CO -0.27 0.90 0.19 -0.09 0.09 0.00 0.00 178.44 179.25 2qrw h ARG 90 N 0.56 0.43 -0.49 1.13 2.43 -0.61 0.34 114.38 118.17 2qrw h ARG 90 Ca 0.07 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2qrw h ARG 90 Cb 0.74 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2qrw h ARG 90 CO 0.06 0.33 0.12 0.00 -1.51 0.00 0.00 179.97 178.97 2qrw h MET 92 N 0.67 1.04 -0.55 0.00 1.85 -0.77 -1.39 114.93 115.79 2qrw h MET 92 Ca 0.15 -0.33 -0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2qrw h MET 92 Cb 0.33 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.24 2qrw h MET 92 CO 0.00 1.02 0.33 0.45 -0.40 0.00 0.00 176.91 178.32 2qrw h HIS 93 N 0.95 0.72 0.21 1.39 -0.00 -0.17 0.03 115.15 118.29 2qrw h HIS 93 Ca 0.17 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.53 2qrw h HIS 93 Cb 0.56 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2qrw h HIS 93 CO 0.04 0.50 -0.16 1.15 -0.00 0.00 0.00 177.93 179.45 2qrw h THR 94 N 0.74 0.65 -0.42 2.45 2.02 -1.20 0.15 112.91 117.31 2qrw h THR 94 Ca 0.20 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.43 2qrw h THR 94 Cb -0.02 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 2qrw h THR 94 CO -0.04 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.00 2qrw h ALA 95 N 0.38 0.50 -0.28 6.16 0.00 -1.06 -2.10 119.26 122.86 2qrw h ALA 95 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2qrw h ALA 95 Cb 0.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qrw h ALA 95 CO -0.01 -0.25 -0.28 0.28 0.00 0.00 0.00 179.25 179.00 2qrw h VAL 96 N 0.31 1.28 0.00 0.00 2.07 -0.89 -2.43 116.25 116.58 2qrw h VAL 96 Ca 0.20 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2qrw h VAL 96 Cb 0.19 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2qrw h VAL 96 CO -0.21 0.43 -0.02 0.00 0.02 0.00 0.00 177.57 177.80 2qrw h ALA 97 N 1.22 1.43 -0.00 1.67 0.00 -0.05 -2.32 119.26 121.20 2qrw h ALA 97 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qrw h ALA 97 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2qrw h ALA 97 CO 0.06 0.02 -0.02 -1.13 0.00 0.00 0.00 179.25 178.18 2qrw n SER 98 N -3.72 0.04 -4.72 0.00 3.41 -0.89 -4.72 113.62 103.01 2qrw n SER 98 Ca -0.03 0.08 -0.39 0.00 -0.26 0.00 0.00 58.87 58.28 2qrw n SER 98 Cb 0.10 -0.34 -0.06 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 -2.75 5.12 0.74 -1.33 -1.09 -0.88 -5.06 121.20 115.96 2qrw s ILE 99 Ca 0.22 1.13 -0.12 0.00 -2.23 0.00 0.00 60.65 59.66 2qrw s ILE 99 Cb 0.20 -3.90 0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2qrw s ILE 99 CO 0.50 0.31 1.10 1.51 -1.23 0.00 0.00 174.94 177.12 2qrw s ASP 100 N 0.59 4.68 0.49 3.58 3.84 -1.26 -4.81 116.67 123.78 2qrw s ASP 100 Ca 0.30 1.86 0.30 0.00 -0.00 0.00 0.00 52.55 55.01 2qrw s ASP 100 Cb -0.16 -2.53 1.04 0.00 -1.38 0.00 0.00 42.92 39.89 2qrw s ASP 100 CO 0.13 -1.92 1.86 0.77 -0.00 0.00 0.00 175.17 176.01 2qrw h SER 101 N -0.82 0.00 -0.58 2.11 4.64 -1.97 -1.10 113.55 115.83 2qrw h SER 101 Ca -0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.83 2qrw h SER 101 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2qrw h SER 101 CO 0.52 0.00 0.19 -0.33 -0.87 0.00 0.00 176.83 176.34 2qrw h GLU 102 N 0.00 0.90 0.01 4.77 5.08 -1.98 -3.01 114.58 120.35 2qrw h GLU 102 Ca 0.00 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2qrw h GLU 102 Cb 0.65 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2qrw h GLU 102 CO 0.00 0.80 -0.01 1.15 -1.00 0.00 0.00 179.01 179.95 2qrw h THR 103 N 0.81 1.54 -3.51 1.13 2.02 -1.83 -3.42 112.91 109.66 2qrw h THR 103 Ca 0.19 -1.93 -0.69 0.00 0.77 0.00 0.00 66.41 64.74 2qrw h THR 103 Cb 0.27 2.80 -0.35 0.00 -1.74 0.00 0.00 68.15 69.13 2qrw h THR 103 CO -0.01 0.48 -0.51 -0.22 0.37 0.00 0.00 175.52 175.64 2qrw s LEU 104 N -8.50 5.19 1.02 2.58 0.20 -0.45 -4.48 118.68 114.24 2qrw s LEU 104 Ca -0.17 -2.32 -0.13 0.00 0.69 0.00 0.00 54.13 52.20 2qrw s LEU 104 Cb -0.02 -1.82 0.20 0.00 -0.43 0.00 0.00 46.19 44.12 2qrw s LEU 104 CO 0.63 -0.47 1.11 1.51 -0.29 0.00 0.00 176.35 178.84 2qrw s ASP 105 N 1.37 2.52 0.26 3.68 3.84 -1.14 -4.13 116.67 123.06 2qrw s ASP 105 Ca 0.11 1.02 -0.04 0.00 -0.00 0.00 0.00 52.55 53.65 2qrw s ASP 105 Cb -0.22 -1.59 0.36 0.00 -1.38 0.00 0.00 42.92 40.09 2qrw s ASP 105 CO -0.04 -3.18 1.89 0.44 -0.00 0.00 0.00 175.17 174.28 2qrw h ASP 106 N -1.93 1.05 -0.27 2.11 5.19 -1.99 -0.00 116.42 120.59 2qrw h ASP 106 Ca -0.52 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.79 2qrw h ASP 106 Cb 1.33 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 2qrw h ASP 106 CO 0.55 0.70 -0.20 -0.08 -3.12 0.00 0.00 179.24 177.09 2qrw h GLU 107 N 1.21 0.60 -0.37 3.56 4.81 -1.99 -1.84 114.58 120.56 2qrw h GLU 107 Ca 0.41 -0.29 -0.17 0.00 -0.13 0.00 0.00 59.36 59.18 2qrw h GLU 107 Cb 0.09 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2qrw h GLU 107 CO -0.15 0.88 -0.42 0.45 -0.73 0.00 0.00 179.01 179.04 2qrw h HIS 108 N 0.33 1.13 -0.46 0.92 3.86 -1.87 -1.82 115.15 117.25 2qrw h HIS 108 Ca 0.05 -0.35 0.07 0.00 -1.16 0.00 0.00 60.37 58.97 2qrw h HIS 108 Cb 0.74 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.92 2qrw h HIS 108 CO 0.07 1.19 0.13 -0.09 0.86 0.00 0.00 177.93 180.08 2qrw h ARG 109 N 0.75 0.27 -0.56 2.45 2.43 -0.98 -0.12 114.38 118.63 2qrw h ARG 109 Ca 0.05 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2qrw h ARG 109 Cb 1.02 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2qrw h ARG 109 CO 0.10 0.18 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.61 2qrw h ARG 110 N 0.28 1.01 -0.79 0.20 2.43 -1.25 -1.55 114.38 114.71 2qrw h ARG 110 Ca 0.22 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2qrw h ARG 110 Cb 0.25 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2qrw h ARG 110 CO -0.25 1.03 0.32 1.49 -1.51 0.00 0.00 179.97 181.04 2qrw h GLU 111 N 0.89 1.18 -0.04 0.20 4.81 -0.72 -0.53 114.58 120.37 2qrw h GLU 111 Ca 0.15 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2qrw h GLU 111 Cb 0.60 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2qrw h GLU 111 CO 0.04 0.96 -0.01 1.25 -0.73 0.00 0.00 179.01 180.52 2qrw h LEU 112 N 1.16 0.07 -0.96 1.64 5.85 -0.87 -1.79 115.31 120.41 2qrw h LEU 112 Ca 0.27 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2qrw h LEU 112 Cb 0.21 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2qrw h LEU 112 CO -0.02 0.41 0.53 -0.07 -0.34 0.00 0.00 178.44 178.95 2qrw h LEU 113 N -0.26 1.12 -0.65 2.25 4.07 -1.22 -0.81 115.31 119.81 2qrw h LEU 113 Ca 0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 2qrw h LEU 113 Cb 0.38 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 2qrw h LEU 113 CO 0.00 0.87 0.29 0.44 -1.08 0.00 0.00 178.44 178.96 2qrw h ASP 114 N 1.27 0.87 -0.14 -0.43 5.19 -1.04 -0.57 116.42 121.56 2qrw h ASP 114 Ca 0.33 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 2qrw h ASP 114 Cb -0.02 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 2qrw h ASP 114 CO -0.06 0.78 0.06 0.22 -3.12 0.00 0.00 179.24 177.12 2qrw h TYR 115 N 0.90 0.21 -0.90 4.55 5.03 -0.93 -2.10 116.97 123.73 2qrw h TYR 115 Ca 0.22 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 2qrw h TYR 115 Cb 0.16 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.33 2qrw h TYR 115 CO 0.01 0.27 0.49 -0.07 -1.32 0.00 0.00 178.16 177.54 2qrw h LEU 116 N 0.09 1.12 -0.10 2.82 3.38 -0.94 0.98 115.31 122.66 2qrw h LEU 116 Ca 0.05 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qrw h LEU 116 Cb 0.15 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2qrw h LEU 116 CO -0.00 0.89 0.07 -0.33 0.09 0.00 0.00 178.44 179.15 2qrw h GLU 117 N 1.25 0.13 -0.21 1.13 4.39 -1.05 -0.77 114.58 119.45 2qrw h GLU 117 Ca 0.32 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 2qrw h GLU 117 Cb 0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2qrw h GLU 117 CO -0.05 0.09 0.08 1.98 -1.16 0.00 0.00 179.01 179.96 2qrw h MET 118 N 0.13 0.31 -0.43 2.33 4.05 -1.04 -2.79 114.93 117.49 2qrw h MET 118 Ca 0.04 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 2qrw h MET 118 Cb -0.01 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 2qrw h MET 118 CO -0.01 0.37 -0.01 0.00 0.23 0.00 0.00 176.91 177.49 2qrw h ALA 119 N 0.93 0.58 -0.92 0.39 0.00 -0.72 -1.86 119.26 117.66 2qrw h ALA 119 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2qrw h ALA 119 Cb 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2qrw h ALA 119 CO -0.01 0.37 0.53 0.00 0.00 0.00 0.00 179.25 180.14 2qrw h ALA 120 N 0.90 1.20 -0.61 0.00 0.00 -1.18 -2.11 119.26 117.46 2qrw h ALA 120 Ca 0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2qrw h ALA 120 Cb 0.50 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qrw h ALA 120 CO 0.02 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.26 2qrw h HIS 121 N 1.28 1.07 0.00 0.00 6.17 -1.26 -2.27 115.15 120.13 2qrw h HIS 121 Ca 0.33 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 61.26 2qrw h HIS 121 Cb -0.01 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 29.63 2qrw h HIS 121 CO 0.01 0.91 0.00 0.66 0.71 0.00 0.00 177.93 180.22 2qrw h SER 122 N 0.94 0.00 -0.01 3.26 4.64 -0.69 -2.71 113.55 118.97 2qrw h SER 122 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2qrw h SER 122 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2qrw h SER 122 CO 0.01 0.00 -0.11 0.18 -0.87 0.00 0.00 176.83 176.04 2qrw n LEU 123 N -2.59 2.42 -4.71 5.97 4.77 -0.86 -4.91 117.00 117.08 2qrw n LEU 123 Ca -0.00 -0.82 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 2qrw n LEU 123 Cb 0.17 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2qrw n LEU 123 CO 0.19 0.41 1.37 -0.69 -1.33 0.00 0.00 177.39 177.34 2qrw s VAL 124 N -2.13 2.32 0.00 4.08 1.01 -1.03 -4.77 120.40 119.88 2qrw s VAL 124 Ca 0.28 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2qrw s VAL 124 Cb 0.20 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2qrw s VAL 124 CO 0.37 0.01 0.29 -0.46 0.00 0.00 0.00 175.10 175.31 2qrw n ASN 125 N 4.50 0.11 -3.96 3.32 0.23 0.35 -5.02 115.26 114.80 2qrw n ASN 125 Ca 0.16 -1.04 -0.09 0.00 -0.53 0.00 0.00 54.58 53.08 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 -0.04 0.22 0.39 0.53 0.01 -0.77 -4.80 113.70 109.23 2qrw s SER 126 Ca 0.00 -0.54 0.24 0.00 1.31 0.00 0.00 55.95 56.95 2qrw s SER 126 Cb 0.00 0.18 0.45 0.00 0.21 0.00 0.00 66.02 66.86 2qrw s SER 126 CO 0.00 -0.44 1.65 1.55 0.41 0.00 0.00 173.24 176.40 2qrw h PRO 127 N 3.95 0.00 0.00 12.44 0.13 -1.98 -3.34 132.00 143.20 2qrw h PRO 127 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.49 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.23