#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgi n PRO 3 N 0.00 1.26 -3.47 1.64 -0.02 -1.26 -4.97 135.00 128.17 2qgi n PRO 3 Ca 0.00 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 2qgi n PRO 3 Cb 0.00 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.05 2qgi n PRO 3 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qgi s VAL 4 N -1.39 4.72 0.61 -1.45 1.01 -1.26 -5.09 120.40 117.56 2qgi s VAL 4 Ca 0.74 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2qgi s VAL 4 Cb -0.43 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2qgi s VAL 4 CO 0.48 -0.64 1.03 -2.16 0.00 0.00 0.00 175.10 173.82 2qgi s PRO 5 N 1.52 3.43 -0.25 2.72 0.04 -1.26 -5.05 135.00 136.14 2qgi s PRO 5 Ca 0.04 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 2qgi s PRO 5 Cb -0.25 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2qgi s PRO 5 CO 0.03 -0.71 0.23 0.99 0.04 0.00 0.00 177.00 177.59 2qgi s THR 6 N -2.84 5.30 -0.11 1.26 2.01 -1.26 -5.08 115.64 114.91 2qgi s THR 6 Ca 0.59 0.31 -0.23 0.00 0.31 0.00 0.00 61.69 62.67 2qgi s THR 6 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2qgi s THR 6 CO 0.45 0.28 0.69 -0.31 -0.69 0.00 0.00 174.62 175.04 2qgi s TYR 7 N 1.39 3.51 -0.15 4.92 2.02 -1.26 -5.05 117.35 122.73 2qgi s TYR 7 Ca 0.10 1.16 -0.04 0.00 -0.37 0.00 0.00 57.07 57.92 2qgi s TYR 7 Cb -0.15 -2.81 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 2qgi s TYR 7 CO 0.07 -0.01 -0.04 0.08 -1.57 0.00 0.00 175.55 174.09 2qgi s VAL 8 N 1.20 3.88 0.36 0.71 1.01 -1.26 -5.12 120.40 121.18 2qgi s VAL 8 Ca 0.35 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.04 2qgi s VAL 8 Cb -0.17 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2qgi s VAL 8 CO 0.15 0.50 0.37 -1.10 0.00 0.00 0.00 175.10 175.02 2qgi s GLN 9 N 0.33 2.79 -1.20 2.72 -1.52 -1.26 -5.04 119.66 116.48 2qgi s GLN 9 Ca -0.04 -1.27 -0.13 0.00 -1.95 0.00 0.00 55.36 51.98 2qgi s GLN 9 Cb -0.14 -2.57 0.19 0.00 -0.22 0.00 0.00 33.01 30.27 2qgi s GLN 9 CO 0.03 0.00 1.41 -3.47 -0.25 0.00 0.00 175.29 173.01 2qgi n ASP 10 N -1.51 5.28 -3.79 5.90 2.03 -1.26 -4.92 116.55 118.28 2qgi n ASP 10 Ca 0.00 -3.00 -0.13 0.00 0.52 0.00 0.00 54.79 52.19 2qgi n ASP 10 Cb 0.60 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.36 2qgi n ASP 10 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2qgi s LYS 11 N 1.03 0.46 -0.59 -0.67 -2.85 -1.26 -5.10 119.74 110.76 2qgi s LYS 11 Ca 0.41 0.03 -0.23 0.00 -1.00 0.00 0.00 55.97 55.18 2qgi s LYS 11 Cb -0.03 0.21 0.05 0.00 -2.06 0.00 0.00 37.83 35.99 2qgi s LYS 11 CO -0.01 -0.10 0.94 0.34 0.10 0.00 0.00 175.35 176.63 2qgi s ASP 12 N -0.64 6.27 0.00 0.03 -1.08 -1.26 -4.88 116.67 115.11 2qgi s ASP 12 Ca -0.07 -0.58 0.17 0.00 -0.52 0.00 0.00 52.55 51.55 2qgi s ASP 12 Cb -0.04 -2.43 0.50 0.00 -1.46 0.00 0.00 42.92 39.49 2qgi s ASP 12 CO 0.02 -1.30 1.42 -0.62 0.52 0.00 0.00 175.17 175.21 2qgi n GLU 13 N 7.54 2.31 -1.89 4.34 1.02 -1.26 -4.95 120.64 127.75 2qgi n GLU 13 Ca -0.00 -2.04 -0.39 0.00 -0.02 0.00 0.00 57.16 54.70 2qgi n GLU 13 Cb 0.47 -1.44 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 2qgi n GLU 13 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2qgi s SER 14 N -1.00 5.71 -0.05 1.62 1.04 -1.26 -4.93 113.70 114.82 2qgi s SER 14 Ca 0.38 2.73 0.15 0.00 0.48 0.00 0.00 55.95 59.69 2qgi s SER 14 Cb 0.20 -2.64 -0.23 0.00 0.10 0.00 0.00 66.02 63.45 2qgi s SER 14 CO 0.26 -1.27 0.27 0.35 0.98 0.00 0.00 173.24 173.83 2qgi n THR 15 N -0.56 0.26 -3.23 2.02 -2.24 -1.26 -4.93 114.28 104.35 2qgi n THR 15 Ca 0.08 -0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 2qgi n THR 15 Cb 0.44 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 2qgi n THR 15 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qgi s LEU 16 N -4.35 4.43 0.07 3.22 1.43 -1.26 -4.93 118.68 117.28 2qgi s LEU 16 Ca -0.06 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.17 2qgi s LEU 16 Cb 0.09 -3.23 -0.20 0.00 0.03 0.00 0.00 46.19 42.88 2qgi s LEU 16 CO 0.64 0.15 1.22 -0.03 0.23 0.00 0.00 176.35 178.56 2qgi h MET 17 N 3.92 0.66 -5.17 1.70 1.85 -1.52 -0.39 114.93 115.99 2qgi h MET 17 Ca -0.49 -0.63 -0.49 0.00 -0.61 0.00 0.00 59.70 57.48 2qgi h MET 17 Cb 1.20 0.16 -0.30 0.00 0.43 0.00 0.00 31.60 33.09 2qgi h MET 17 CO 0.65 1.23 -0.81 -0.06 -0.40 0.00 0.00 176.91 177.52 2qgi s PHE 18 N -3.49 1.29 -0.32 1.39 0.08 -0.85 -1.00 117.98 115.08 2qgi s PHE 18 Ca -0.11 -0.28 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 2qgi s PHE 18 Cb 0.07 -0.85 0.02 0.00 -0.57 0.00 0.00 43.02 41.68 2qgi s PHE 18 CO 0.89 -0.06 0.11 -1.12 -0.10 0.00 0.00 175.22 174.93 2qgi s SER 19 N -0.17 5.28 -0.46 1.36 0.01 -0.25 -1.47 113.70 117.99 2qgi s SER 19 Ca 0.02 -0.83 -0.18 0.00 1.31 0.00 0.00 55.95 56.27 2qgi s SER 19 Cb -0.07 -1.90 0.04 0.00 0.21 0.00 0.00 66.02 64.30 2qgi s SER 19 CO 0.00 -0.25 0.53 -0.69 0.41 0.00 0.00 173.24 173.25 2qgi s VAL 20 N 1.49 4.99 -0.14 3.43 1.01 0.92 -0.79 120.40 131.30 2qgi s VAL 20 Ca 0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 2qgi s VAL 20 Cb -0.18 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2qgi s VAL 20 CO 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 175.10 174.52 2qgi s SER 22 N 0.00 2.30 -0.46 0.00 0.01 -0.44 -0.80 113.70 114.31 2qgi s SER 22 Ca 0.03 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 2qgi s SER 22 Cb -0.13 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.03 2qgi s SER 22 CO 0.02 -0.01 0.59 -0.22 0.41 0.00 0.00 173.24 174.03 2qgi s LEU 23 N -2.03 4.78 -0.16 2.44 2.96 -0.86 -0.35 118.68 125.46 2qgi s LEU 23 Ca 0.06 -0.66 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 2qgi s LEU 23 Cb -0.09 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 2qgi s LEU 23 CO 0.04 -0.78 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.49 2qgi s VAL 24 N 2.58 3.11 0.00 1.68 1.01 -0.63 -3.25 120.40 124.89 2qgi s VAL 24 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2qgi s VAL 24 Cb -0.17 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.87 2qgi s VAL 24 CO 0.15 0.50 0.00 -2.11 0.00 0.00 0.00 175.10 173.64 2qgi n ARG 25 N 3.93 2.55 -4.03 2.72 1.85 -1.26 0.25 116.66 122.67 2qgi n ARG 25 Ca -0.18 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.33 2qgi n ARG 25 Cb 0.52 -0.95 -0.15 0.00 -1.05 0.00 0.00 32.46 30.83 2qgi n ARG 25 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2qgi s ASP 26 N -2.46 4.19 0.28 2.89 -1.08 -1.26 -4.41 116.67 114.82 2qgi s ASP 26 Ca 0.00 -1.06 -0.03 0.00 -0.52 0.00 0.00 52.55 50.94 2qgi s ASP 26 Cb 0.00 -1.59 0.38 0.00 -1.46 0.00 0.00 42.92 40.25 2qgi s ASP 26 CO 0.00 -0.14 1.93 -0.61 0.52 0.00 0.00 175.17 176.87 2qgi h GLN 27 N 7.91 1.18 -0.52 4.34 5.75 -1.98 -1.77 115.11 130.01 2qgi h GLN 27 Ca -0.29 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.10 2qgi h GLN 27 Cb 1.08 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 2qgi h GLN 27 CO 0.54 0.78 0.19 0.00 -2.65 0.00 0.00 178.83 177.68 2qgi h ALA 28 N 1.44 0.68 -0.41 3.38 0.00 -1.99 0.14 119.26 122.50 2qgi h ALA 28 Ca 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2qgi h ALA 28 Cb -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2qgi h ALA 28 CO -0.10 0.32 0.09 0.87 0.00 0.00 0.00 179.25 180.42 2qgi h LYS 29 N 0.71 0.66 -0.52 0.00 1.57 -1.79 -2.16 116.57 115.03 2qgi h LYS 29 Ca 0.17 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2qgi h LYS 29 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2qgi h LYS 29 CO -0.01 0.69 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.53 2qgi h TYR 30 N 0.52 1.09 -0.96 -1.35 3.20 -0.98 -0.75 116.97 117.74 2qgi h TYR 30 Ca 0.13 -0.22 0.05 0.00 3.14 0.00 0.00 58.73 61.82 2qgi h TYR 30 Cb 0.34 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 2qgi h TYR 30 CO 0.02 1.02 0.62 -0.44 -1.64 0.00 0.00 178.16 177.75 2qgi h ASP 31 N 0.87 1.01 -0.42 -2.11 3.32 -0.61 0.36 116.42 118.84 2qgi h ASP 31 Ca 0.14 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2qgi h ASP 31 Cb 0.66 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2qgi h ASP 31 CO 0.05 0.67 0.10 -0.09 -1.72 0.00 0.00 179.24 178.25 2qgi h ARG 32 N 1.16 0.67 -0.05 3.56 2.43 -0.93 -0.25 114.38 120.97 2qgi h ARG 32 Ca 0.40 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2qgi h ARG 32 Cb 0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2qgi h ARG 32 CO -0.14 0.68 -0.07 1.25 -1.51 0.00 0.00 179.97 180.18 2qgi h LEU 33 N 0.54 -0.22 -0.70 3.80 6.46 -0.36 -1.74 115.31 123.09 2qgi h LEU 33 Ca 0.13 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2qgi h LEU 33 Cb 0.31 0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 2qgi h LEU 33 CO 0.00 -0.10 0.31 -0.07 -0.62 0.00 0.00 178.44 177.96 2qgi h LEU 34 N -0.10 0.93 -0.83 2.25 3.38 -0.74 -0.70 115.31 119.49 2qgi h LEU 34 Ca 0.05 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.93 2qgi h LEU 34 Cb 0.17 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2qgi h LEU 34 CO -0.12 0.82 0.51 -0.08 0.09 0.00 0.00 178.44 179.67 2qgi h GLU 35 N 0.98 0.90 -0.30 1.13 4.22 -0.94 -1.93 114.58 118.63 2qgi h GLU 35 Ca 0.24 -0.05 -0.15 0.00 0.08 0.00 0.00 59.36 59.47 2qgi h GLU 35 Cb 0.16 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2qgi h GLU 35 CO -0.03 0.60 -0.39 0.66 -2.18 0.00 0.00 179.01 177.67 2qgi h SER 36 N 0.93 0.87 -0.56 1.04 4.64 -0.45 -1.30 113.55 118.73 2qgi h SER 36 Ca 0.37 -0.50 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2qgi h SER 36 Cb 0.18 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2qgi h SER 36 CO -0.18 1.19 0.20 -0.26 -0.87 0.00 0.00 176.83 176.92 2qgi h PHE 37 N 0.57 0.86 -0.73 4.77 -1.00 -0.93 -2.20 116.94 118.29 2qgi h PHE 37 Ca 0.04 -0.07 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 2qgi h PHE 37 Cb 0.99 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 40.26 2qgi h PHE 37 CO 0.07 0.71 0.21 1.49 -1.61 0.00 0.00 178.31 179.19 2qgi h GLU 38 N 0.77 1.13 -0.35 1.51 4.22 -1.28 -0.91 114.58 119.67 2qgi h GLU 38 Ca 0.18 -0.25 -0.04 0.00 0.08 0.00 0.00 59.36 59.34 2qgi h GLU 38 Cb 0.23 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2qgi h GLU 38 CO -0.01 0.97 0.05 -0.09 -2.18 0.00 0.00 179.01 177.75 2qgi h ARG 39 N 1.09 0.52 -0.75 1.92 2.43 -1.00 -2.62 114.38 115.97 2qgi h ARG 39 Ca 0.23 -0.09 -0.39 0.00 -0.81 0.00 0.00 59.98 58.92 2qgi h ARG 39 Cb 0.32 -0.09 -0.23 0.00 -0.42 0.00 0.00 29.97 29.55 2qgi h ARG 39 CO -0.01 0.51 0.37 1.19 -1.51 0.00 0.00 179.97 180.52 2qgi n PHE 40 N -4.32 2.30 0.00 2.20 3.72 -0.85 -4.91 117.46 115.61 2qgi n PHE 40 Ca 0.02 -1.75 0.00 0.00 -0.05 0.00 0.00 57.45 55.66 2qgi n PHE 40 Cb 0.21 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 37.97 2qgi n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qgi n GLY 41 N -1.13 0.63 2.73 1.37 0.00 -0.99 -0.98 105.19 106.82 2qgi n GLY 41 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 2qgi n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qgi n PHE 42 N -1.46 2.84 -2.01 1.61 3.72 -0.38 -4.74 117.46 117.04 2qgi n PHE 42 Ca 0.00 -2.81 -0.29 0.00 -0.05 0.00 0.00 57.45 54.30 2qgi n PHE 42 Cb 0.00 -1.96 0.04 0.00 -0.94 0.00 0.00 39.48 36.63 2qgi n PHE 42 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qgi s THR 43 N 0.14 3.50 0.50 4.37 -4.23 -1.26 -4.20 115.64 114.45 2qgi s THR 43 Ca 0.45 0.36 0.41 0.00 -1.18 0.00 0.00 61.69 61.72 2qgi s THR 43 Cb 0.12 -3.46 0.41 0.00 1.34 0.00 0.00 72.50 70.92 2qgi s THR 43 CO -0.03 -0.58 2.25 -0.65 -0.54 0.00 0.00 174.62 175.07 2qgi h PRO 44 N -0.55 0.00 0.00 3.99 0.11 -1.94 0.35 132.00 133.96 2qgi h PRO 44 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qgi h PRO 44 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2qgi h PRO 44 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 2qgi n ASP 45 N -2.97 0.28 -0.00 -2.05 5.75 -1.26 -4.03 116.55 112.28 2qgi n ASP 45 Ca -0.02 0.53 0.00 0.00 -0.01 0.00 0.00 54.79 55.29 2qgi n ASP 45 Cb 0.09 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 39.57 2qgi n ASP 45 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qgi n LYS 46 N -1.76 1.19 -3.72 0.11 5.02 0.10 -4.73 118.16 114.37 2qgi n LYS 46 Ca 0.06 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 2qgi n LYS 46 Cb 0.36 -1.03 -0.09 0.00 -0.02 0.00 0.00 35.03 34.25 2qgi n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qgi s ALA 47 N -2.07 -0.95 0.25 7.82 0.00 -0.01 -1.40 121.76 125.39 2qgi s ALA 47 Ca -0.01 0.60 0.12 0.00 0.00 0.00 0.00 51.96 52.67 2qgi s ALA 47 Cb 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2qgi s ALA 47 CO 0.05 -0.26 -0.21 -1.83 0.00 0.00 0.00 175.76 173.51 2qgi s GLU 48 N -1.03 1.61 -0.06 0.00 -1.05 -0.54 -4.28 118.70 113.35 2qgi s GLU 48 Ca -0.11 -1.69 0.04 0.00 -0.15 0.00 0.00 54.97 53.06 2qgi s GLU 48 Cb -0.04 -1.76 -0.00 0.00 -0.44 0.00 0.00 34.13 31.89 2qgi s GLU 48 CO 0.04 0.34 -0.19 -0.06 0.95 0.00 0.00 175.26 176.35 2qgi s PHE 49 N -2.29 1.91 0.04 4.83 0.08 -1.26 -0.06 117.98 121.23 2qgi s PHE 49 Ca 0.27 -0.62 0.04 0.00 0.12 0.00 0.00 56.93 56.74 2qgi s PHE 49 Cb -0.06 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2qgi s PHE 49 CO 0.13 -0.23 -0.12 -0.51 -0.10 0.00 0.00 175.22 174.39 2qgi s LEU 50 N 0.16 2.19 -0.07 -0.37 1.02 -0.34 -4.96 118.68 116.31 2qgi s LEU 50 Ca -0.08 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.63 2qgi s LEU 50 Cb -0.14 -0.46 0.01 0.00 0.02 0.00 0.00 46.19 45.62 2qgi s LEU 50 CO 0.04 -0.04 -0.17 0.00 0.02 0.00 0.00 176.35 176.20 2qgi s ALA 51 N -0.97 1.59 -0.30 4.21 0.00 -1.26 -1.33 121.76 123.70 2qgi s ALA 51 Ca -0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 2qgi s ALA 51 Cb -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2qgi s ALA 51 CO 0.01 0.21 1.23 0.00 0.00 0.00 0.00 175.76 177.20 2qgi s ALA 52 N 0.42 3.42 -0.77 0.00 0.00 0.53 -4.94 121.76 120.41 2qgi s ALA 52 Ca -0.13 0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.69 2qgi s ALA 52 Cb -0.15 -3.74 0.10 0.00 0.00 0.00 0.00 23.12 19.33 2qgi s ALA 52 CO 0.05 -1.65 1.01 0.34 0.00 0.00 0.00 175.76 175.51 2qgi s ASP 53 N 2.38 6.37 -0.33 0.00 -1.08 -1.26 -1.61 116.67 121.13 2qgi s ASP 53 Ca 0.53 -1.48 0.09 0.00 -0.52 0.00 0.00 52.55 51.17 2qgi s ASP 53 Cb -0.15 -2.40 0.68 0.00 -1.46 0.00 0.00 42.92 39.58 2qgi s ASP 53 CO 0.20 -1.26 1.75 0.59 0.52 0.00 0.00 175.17 176.98 2qgi n ASN 54 N 7.11 4.17 0.17 -0.34 5.03 0.14 -4.62 115.26 126.93 2qgi n ASN 54 Ca 0.08 -3.37 0.02 0.00 0.87 0.00 0.00 54.58 52.18 2qgi n ASN 54 Cb 0.47 -0.73 0.37 0.00 -1.02 0.00 0.00 39.78 38.86 2qgi n ASN 54 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 2qgi h ARG 55 N 1.98 0.05 0.00 3.52 3.08 -1.69 -3.19 114.38 118.14 2qgi h ARG 55 Ca 0.32 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2qgi h ARG 55 Cb 2.28 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.32 2qgi h ARG 55 CO 0.72 0.37 -1.24 0.39 -1.07 0.00 0.00 179.97 179.14 2qgi n GLU 56 N -4.14 0.97 0.00 0.04 1.02 -1.26 -4.97 120.64 112.30 2qgi n GLU 56 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2qgi n GLU 56 Cb 0.38 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2qgi n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qgi n GLY 57 N 1.44 0.19 2.46 0.62 0.00 -1.20 -5.02 105.19 103.67 2qgi n GLY 57 Ca 0.00 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 2qgi n GLY 57 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qgi n ASN 58 N 0.00 7.69 -0.30 1.61 3.02 -1.26 -4.30 115.26 121.72 2qgi n ASN 58 Ca 0.00 -2.82 -0.05 0.00 -0.03 0.00 0.00 54.58 51.68 2qgi n ASN 58 Cb 0.00 -1.50 0.07 0.00 -0.61 0.00 0.00 39.78 37.74 2qgi n ASN 58 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2qgi h GLN 59 N 5.05 1.14 -6.08 3.52 4.15 -1.90 -3.43 115.11 117.55 2qgi h GLN 59 Ca 0.75 -0.12 -0.57 0.00 0.77 0.00 0.00 58.65 59.48 2qgi h GLN 59 Cb 0.36 -0.23 -0.10 0.00 0.21 0.00 0.00 27.48 27.72 2qgi h GLN 59 CO 1.69 0.83 -0.61 -0.06 -1.93 0.00 0.00 178.83 178.75 2qgi s PHE 60 N -5.88 2.60 0.33 3.99 0.08 -1.26 -5.06 117.98 112.78 2qgi s PHE 60 Ca -0.13 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.62 2qgi s PHE 60 Cb 0.16 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.14 2qgi s PHE 60 CO 0.81 0.48 0.29 -2.39 -0.10 0.00 0.00 175.22 174.32 2qgi n HIS 61 N -0.97 -0.83 0.00 0.36 1.44 -1.26 -4.98 115.22 108.97 2qgi n HIS 61 Ca -0.04 -2.78 0.12 0.00 -2.01 0.00 0.00 57.72 53.01 2qgi n HIS 61 Cb 0.61 0.31 0.55 0.00 0.12 0.00 0.00 29.99 31.58 2qgi n HIS 61 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2qgi h GLY 62 N 2.04 0.36 0.81 -1.39 0.00 -1.20 -2.13 103.07 101.56 2qgi h GLY 62 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2qgi h GLY 62 CO 0.34 0.08 -0.70 0.69 0.00 0.00 0.00 176.54 176.94 2qgi n PHE 63 N -4.46 0.15 -0.04 5.60 3.72 -1.26 -4.43 117.46 116.74 2qgi n PHE 63 Ca 0.07 0.04 -0.01 0.00 -0.05 0.00 0.00 57.45 57.50 2qgi n PHE 63 Cb 0.33 -0.33 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 2qgi n PHE 63 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qgi n SER 64 N -1.71 1.84 0.03 4.37 3.41 -0.97 -4.60 113.62 115.98 2qgi n SER 64 Ca 0.04 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.69 2qgi n SER 64 Cb 0.38 1.13 0.44 0.00 -0.26 0.00 0.00 64.21 65.90 2qgi n SER 64 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2qgi h TRP 65 N 0.00 0.47 0.00 7.33 5.08 -1.61 -2.29 115.95 124.92 2qgi h TRP 65 Ca -0.21 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.74 2qgi h TRP 65 Cb 1.34 -0.16 -0.00 0.00 -3.00 0.00 0.00 29.16 27.34 2qgi h TRP 65 CO 0.00 0.30 -0.14 0.45 -1.28 0.00 0.00 178.44 177.77 2qgi h HIS 66 N 0.50 0.00 0.00 0.12 3.86 -1.86 -2.29 115.15 115.48 2qgi h HIS 66 Ca 0.13 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 2qgi h HIS 66 Cb -0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 2qgi h HIS 66 CO 0.00 0.14 -0.30 0.87 0.86 0.00 0.00 177.93 179.50 2qgi h LYS 67 N 0.00 0.00 0.00 2.45 1.57 -1.75 0.56 116.57 119.40 2qgi h LYS 67 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2qgi h LYS 67 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2qgi h LYS 67 CO 0.02 0.30 -1.20 1.96 -0.57 0.00 0.00 179.45 179.96 2qgi h GLN 68 N 0.00 0.00 0.09 3.15 1.08 -1.57 -3.40 115.11 114.46 2qgi h GLN 68 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 2qgi h GLN 68 Cb 0.58 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.03 2qgi h GLN 68 CO 0.04 0.51 -0.59 0.52 -0.95 0.00 0.00 178.83 178.36 2qgi h MET 69 N 0.00 0.25 -0.83 1.46 2.86 -0.94 -3.38 114.93 114.35 2qgi h MET 69 Ca -0.13 -0.38 0.09 0.00 -2.06 0.00 0.00 59.70 57.23 2qgi h MET 69 Cb 1.67 0.14 -0.07 0.00 0.06 0.00 0.00 31.60 33.39 2qgi h MET 69 CO 0.07 1.15 0.48 -0.07 1.06 0.00 0.00 176.91 179.60 2qgi h LEU 70 N -0.46 0.69 -2.87 1.22 3.38 -1.11 -0.51 115.31 115.64 2qgi h LEU 70 Ca -0.10 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qgi h LEU 70 Cb 1.43 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2qgi h LEU 70 CO 0.11 0.39 0.01 -0.65 0.09 0.00 0.00 178.44 178.39 2qgi h PRO 71 N 0.80 0.00 -0.00 1.13 0.11 -1.79 -2.03 132.00 130.23 2qgi h PRO 71 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2qgi h PRO 71 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2qgi h PRO 71 CO -0.24 0.00 -0.58 0.54 -0.21 0.00 0.00 178.00 177.51 2qgi n ARG 72 N -3.23 0.28 -3.04 1.05 1.74 -0.21 -4.94 116.66 108.31 2qgi n ARG 72 Ca -0.03 -0.19 -0.37 0.00 -0.77 0.00 0.00 57.85 56.49 2qgi n ARG 72 Cb 0.08 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.96 2qgi n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qgi n LYS 74 N 0.94 2.22 -1.96 0.00 4.76 -1.26 -5.05 118.16 117.81 2qgi n LYS 74 Ca -0.03 -0.31 -0.31 0.00 -2.87 0.00 0.00 58.31 54.80 2qgi n LYS 74 Cb 0.50 -0.81 0.01 0.00 -1.84 0.00 0.00 35.03 32.90 2qgi n LYS 74 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2qgi s GLY 75 N -0.43 1.64 0.15 0.72 0.00 -1.26 -4.41 107.32 103.72 2qgi s GLY 75 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.40 2qgi s GLY 75 CO 0.01 0.11 1.80 -0.09 0.00 0.00 0.00 173.10 174.93 2qgi h ARG 76 N -0.28 0.48 -6.41 2.90 2.43 -0.77 -3.41 114.38 109.33 2qgi h ARG 76 Ca -0.44 -0.03 -0.69 0.00 -0.81 0.00 0.00 59.98 58.00 2qgi h ARG 76 Cb 1.20 -0.11 -0.24 0.00 -0.42 0.00 0.00 29.97 30.40 2qgi h ARG 76 CO 0.62 0.32 -0.80 0.71 -1.51 0.00 0.00 179.97 179.32 2qgi s TYR 77 N -6.14 2.62 -0.21 2.20 2.02 -0.17 -0.90 117.35 116.77 2qgi s TYR 77 Ca -0.13 -0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.32 2qgi s TYR 77 Cb 0.10 -1.59 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 2qgi s TYR 77 CO 0.72 0.16 -0.05 0.08 -1.57 0.00 0.00 175.55 174.88 2qgi s VAL 78 N -0.74 3.37 -0.09 0.71 1.01 0.76 -1.09 120.40 124.33 2qgi s VAL 78 Ca 0.12 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 2qgi s VAL 78 Cb -0.10 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2qgi s VAL 78 CO 0.01 0.44 0.29 -0.63 0.00 0.00 0.00 175.10 175.21 2qgi s ILE 79 N 1.28 5.26 -0.23 2.22 1.01 0.03 -1.44 121.20 129.32 2qgi s ILE 79 Ca 0.03 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.27 2qgi s ILE 79 Cb -0.14 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.77 2qgi s ILE 79 CO -0.02 0.52 -0.14 -0.36 0.00 0.00 0.00 174.94 174.94 2qgi s PHE 80 N -0.47 3.06 0.09 3.97 0.08 0.35 0.06 117.98 125.11 2qgi s PHE 80 Ca 0.19 -2.07 0.01 0.00 0.12 0.00 0.00 56.93 55.18 2qgi s PHE 80 Cb -0.14 -1.90 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2qgi s PHE 80 CO 0.07 -0.85 -0.06 0.00 -0.10 0.00 0.00 175.22 174.28 2qgi s HIS 82 N -3.41 2.20 -0.37 0.00 3.76 -0.14 -2.03 115.29 115.31 2qgi s HIS 82 Ca 0.09 1.30 0.27 0.00 -0.15 0.00 0.00 55.06 56.56 2qgi s HIS 82 Cb 0.04 -3.17 0.97 0.00 1.11 0.00 0.00 32.58 31.54 2qgi s HIS 82 CO -0.05 -2.52 1.79 1.05 -0.85 0.00 0.00 174.74 174.16 2qgi h GLU 83 N -1.64 0.00 -0.83 1.40 4.11 -1.90 -3.24 114.58 112.48 2qgi h GLU 83 Ca -0.50 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.45 2qgi h GLU 83 Cb 1.28 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.27 2qgi h GLU 83 CO 0.53 0.00 0.43 -0.40 0.07 0.00 0.00 179.01 179.65 2qgi n ASP 84 N -2.59 4.48 -4.77 3.06 5.75 -1.26 -3.89 116.55 117.34 2qgi n ASP 84 Ca 0.03 -3.71 -0.25 0.00 -0.01 0.00 0.00 54.79 50.84 2qgi n ASP 84 Cb 0.33 -0.79 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 2qgi n ASP 84 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2qgi s VAL 85 N -3.75 4.26 -0.11 2.12 -7.23 -1.22 -1.46 120.40 113.00 2qgi s VAL 85 Ca 0.56 -1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 59.33 2qgi s VAL 85 Cb 0.47 -3.20 0.03 0.00 0.56 0.00 0.00 36.38 34.24 2qgi s VAL 85 CO 0.05 -0.17 0.35 -1.83 -0.31 0.00 0.00 175.10 173.19 2qgi s GLU 86 N -3.25 0.47 0.25 4.82 -1.05 -0.18 -4.33 118.70 115.44 2qgi s GLU 86 Ca 0.31 0.36 -0.26 0.00 -0.15 0.00 0.00 54.97 55.23 2qgi s GLU 86 Cb -0.09 0.22 -0.09 0.00 -0.44 0.00 0.00 34.13 33.73 2qgi s GLU 86 CO 0.22 -0.08 0.87 -0.51 0.95 0.00 0.00 175.26 176.72 2qgi s LEU 87 N -0.11 4.48 0.00 1.83 1.43 -1.26 -1.11 118.68 123.93 2qgi s LEU 87 Ca -0.03 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 2qgi s LEU 87 Cb -0.03 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2qgi s LEU 87 CO 0.01 0.07 0.00 1.33 0.23 0.00 0.00 176.35 177.99 2qgi n VAL 88 N 1.06 0.00 0.20 -1.59 0.24 -1.26 -4.82 118.33 112.16 2qgi n VAL 88 Ca -0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2qgi n VAL 88 Cb 0.49 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 2qgi n VAL 88 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2qgi n ASP 89 N -0.23 -2.90 -4.77 -1.34 5.68 -1.26 -5.11 116.55 106.62 2qgi n ASP 89 Ca 0.00 0.75 -0.39 0.00 -0.50 0.00 0.00 54.79 54.65 2qgi n ASP 89 Cb 0.00 2.78 -0.04 0.00 -1.14 0.00 0.00 41.12 42.72 2qgi n ASP 89 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2qgi s ARG 90 N -1.92 4.43 0.00 0.11 1.81 -1.26 -5.01 118.95 117.11 2qgi s ARG 90 Ca 0.00 1.78 0.00 0.00 -1.72 0.00 0.00 55.73 55.79 2qgi s ARG 90 Cb 0.00 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 31.53 2qgi s ARG 90 CO 0.00 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.05 2qgi n GLY 91 N 0.90 5.42 0.32 -3.53 0.00 -1.26 -4.91 105.19 102.14 2qgi n GLY 91 Ca 0.01 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.64 2qgi n GLY 91 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2qgi h TYR 92 N 0.00 -0.84 -0.42 1.61 3.20 -1.35 -0.32 116.97 118.85 2qgi h TYR 92 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2qgi h TYR 92 Cb 0.00 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2qgi h TYR 92 CO 0.00 -0.39 0.04 -0.44 -1.64 0.00 0.00 178.16 175.73 2qgi h ASP 93 N -0.41 0.62 -0.58 -2.11 3.32 -1.92 -1.40 116.42 113.95 2qgi h ASP 93 Ca 0.08 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 2qgi h ASP 93 Cb 0.53 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2qgi h ASP 93 CO -0.31 0.67 -0.03 0.44 -1.72 0.00 0.00 179.24 178.29 2qgi h ASP 94 N 0.63 1.04 -0.36 6.45 3.32 -1.69 -1.22 116.42 124.60 2qgi h ASP 94 Ca 0.13 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 2qgi h ASP 94 Cb 0.34 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2qgi h ASP 94 CO 0.01 1.11 -0.09 0.25 -1.72 0.00 0.00 179.24 178.80 2qgi h LEU 95 N 0.96 0.69 -0.53 1.55 5.85 -0.65 -1.05 115.31 122.12 2qgi h LEU 95 Ca 0.16 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2qgi h LEU 95 Cb 0.59 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2qgi h LEU 95 CO 0.04 0.90 0.35 0.58 -0.34 0.00 0.00 178.44 179.97 2qgi h VAL 96 N 0.48 1.14 -0.76 1.05 2.07 -1.15 -0.42 116.25 118.66 2qgi h VAL 96 Ca 0.09 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2qgi h VAL 96 Cb 0.59 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2qgi h VAL 96 CO 0.04 0.13 0.42 0.00 0.02 0.00 0.00 177.57 178.18 2qgi h ALA 97 N 1.20 0.97 -0.63 1.67 0.00 -1.04 0.37 119.26 121.81 2qgi h ALA 97 Ca 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2qgi h ALA 97 Cb -0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 2qgi h ALA 97 CO -0.04 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.72 2qgi h ALA 98 N 1.22 0.84 -0.25 0.00 0.00 -0.62 0.42 119.26 120.87 2qgi h ALA 98 Ca 0.27 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2qgi h ALA 98 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2qgi h ALA 98 CO -0.04 0.66 -0.36 0.82 0.00 0.00 0.00 179.25 180.32 2qgi h ILE 99 N 0.99 1.31 -0.47 0.00 2.04 -0.74 -1.01 117.51 119.62 2qgi h ILE 99 Ca 0.18 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 2qgi h ILE 99 Cb 0.53 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 2qgi h ILE 99 CO 0.03 0.49 0.02 -0.33 0.00 0.00 0.00 178.15 178.36 2qgi h GLU 100 N 0.40 0.76 -0.53 2.37 5.08 -0.77 -0.30 114.58 121.60 2qgi h GLU 100 Ca 0.02 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2qgi h GLU 100 Cb 0.95 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2qgi h GLU 100 CO 0.08 0.76 0.06 0.00 -1.00 0.00 0.00 179.01 178.91 2qgi h ALA 101 N 1.31 0.71 -0.51 3.43 0.00 -0.76 -2.27 119.26 121.16 2qgi h ALA 101 Ca 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2qgi h ALA 101 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qgi h ALA 101 CO 0.01 0.47 0.23 1.25 0.00 0.00 0.00 179.25 181.21 2qgi h LEU 102 N 0.78 0.69 -1.11 0.00 5.85 -0.45 -0.23 115.31 120.84 2qgi h LEU 102 Ca 0.16 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2qgi h LEU 102 Cb 0.44 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2qgi h LEU 102 CO 0.02 0.64 0.61 -0.08 -0.34 0.00 0.00 178.44 179.29 2qgi h GLU 103 N 0.68 1.11 -0.41 1.25 4.57 -0.88 0.16 114.58 121.05 2qgi h GLU 103 Ca 0.17 -0.07 -0.15 0.00 -1.18 0.00 0.00 59.36 58.14 2qgi h GLU 103 Cb 0.16 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2qgi h GLU 103 CO -0.02 0.73 -0.33 1.49 -1.18 0.00 0.00 179.01 179.70 2qgi h GLU 104 N 1.14 0.96 -0.25 1.92 4.57 -1.10 -3.09 114.58 118.74 2qgi h GLU 104 Ca 0.38 -0.48 -0.19 0.00 -1.18 0.00 0.00 59.36 57.89 2qgi h GLU 104 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2qgi h GLU 104 CO -0.12 1.14 -0.57 0.00 -1.18 0.00 0.00 179.01 178.27 2qgi h ALA 105 N 0.80 0.40 -1.41 2.92 0.00 -0.29 -3.42 119.26 118.26 2qgi h ALA 105 Ca 0.08 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2qgi h ALA 105 Cb 0.92 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 18.41 2qgi h ALA 105 CO 0.09 0.64 -0.54 0.34 0.00 0.00 0.00 179.25 179.77 2qgi s ASP 106 N -6.93 -0.39 0.16 0.00 -1.08 0.51 -5.00 116.67 103.93 2qgi s ASP 106 Ca -0.11 -0.96 0.13 0.00 -0.52 0.00 0.00 52.55 51.09 2qgi s ASP 106 Cb 0.09 1.39 0.64 0.00 -1.46 0.00 0.00 42.92 43.58 2qgi s ASP 106 CO 0.89 -0.23 1.39 -2.65 0.52 0.00 0.00 175.17 175.08 2qgi n PRO 107 N 4.52 0.08 0.00 4.34 -0.02 -1.17 -1.61 135.00 141.14 2qgi n PRO 107 Ca 0.10 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 2qgi n PRO 107 Cb 0.52 -1.73 0.68 0.00 -0.02 0.00 0.00 33.50 32.95 2qgi n PRO 107 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qgi n LYS 108 N -1.89 0.34 -1.82 -0.52 5.02 -1.26 -4.88 118.16 113.15 2qgi n LYS 108 Ca -0.00 0.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.95 2qgi n LYS 108 Cb 0.05 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.62 2qgi n LYS 108 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 2qgi s TRP 109 N -2.63 2.19 0.00 2.13 1.48 -0.63 -1.47 118.94 120.01 2qgi s TRP 109 Ca 0.24 1.51 0.00 0.00 -1.06 0.00 0.00 56.10 56.79 2qgi s TRP 109 Cb 0.18 -3.60 0.00 0.00 -1.16 0.00 0.00 33.47 28.90 2qgi s TRP 109 CO 0.43 -2.63 0.00 1.28 -4.06 0.00 0.00 176.95 171.97 2qgi n LEU 110 N -1.86 0.00 -4.05 -4.66 4.77 0.15 -4.73 117.00 106.62 2qgi n LEU 110 Ca 0.15 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 2qgi n LEU 110 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 2qgi n LEU 110 CO 0.46 0.00 -0.41 0.68 -1.33 0.00 0.00 177.39 176.79 2qgi s VAL 111 N -1.52 0.60 0.04 4.08 -7.23 -1.03 -4.26 120.40 111.07 2qgi s VAL 111 Ca 0.00 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2qgi s VAL 111 Cb 0.00 -0.61 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 2qgi s VAL 111 CO 0.00 -0.21 -0.08 0.00 -0.31 0.00 0.00 175.10 174.51 2qgi s ALA 112 N -1.00 0.56 0.13 1.32 0.00 -0.39 -1.35 121.76 121.03 2qgi s ALA 112 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 2qgi s ALA 112 Cb -0.08 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2qgi s ALA 112 CO 0.00 0.00 0.18 0.41 0.00 0.00 0.00 175.76 176.36 2qgi n GLY 113 N 1.68 2.78 0.00 0.00 0.00 -0.00 0.04 105.19 109.68 2qgi n GLY 113 Ca -0.21 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.41 2qgi n GLY 113 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qgi n VAL 114 N -0.22 0.00 -3.69 1.61 0.24 -1.23 -0.28 118.33 114.77 2qgi n VAL 114 Ca 0.00 -0.13 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 2qgi n VAL 114 Cb 0.22 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.49 2qgi n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qgi s ALA 115 N -2.47 -1.31 0.00 2.33 0.00 -1.26 -2.97 121.76 116.07 2qgi s ALA 115 Ca 0.06 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2qgi s ALA 115 Cb 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2qgi s ALA 115 CO 0.64 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2qgi n GLY 116 N 3.64 1.52 3.32 0.00 0.00 -0.17 -0.11 105.19 113.39 2qgi n GLY 116 Ca -0.18 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2qgi n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qgi s SER 117 N -0.08 3.63 0.41 1.61 0.01 -0.88 -0.65 113.70 117.75 2qgi s SER 117 Ca 0.00 -0.42 -0.23 0.00 1.31 0.00 0.00 55.95 56.62 2qgi s SER 117 Cb 0.00 -1.46 -0.13 0.00 0.21 0.00 0.00 66.02 64.64 2qgi s SER 117 CO 0.00 0.18 0.57 -2.65 0.41 0.00 0.00 173.24 171.75 2qgi n PRO 118 N 3.44 0.61 -2.08 12.44 -0.02 -1.26 -0.41 135.00 147.71 2qgi n PRO 118 Ca -0.18 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 2qgi n PRO 118 Cb 0.53 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 2qgi n PRO 118 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2qgi s TRP 119 N -1.44 2.98 -1.01 6.00 -0.00 -0.56 -3.79 118.94 121.12 2qgi s TRP 119 Ca 0.63 0.74 -0.15 0.00 -0.00 0.00 0.00 56.10 57.32 2qgi s TRP 119 Cb -0.61 -3.78 0.01 0.00 -0.00 0.00 0.00 33.47 29.08 2qgi s TRP 119 CO 0.58 -2.89 0.70 0.54 -0.00 0.00 0.00 176.95 175.88 2qgi n ARG 120 N 4.52 -1.11 -1.84 5.86 1.74 -1.26 -4.90 116.66 119.66 2qgi n ARG 120 Ca 0.13 0.60 -0.39 0.00 -0.77 0.00 0.00 57.85 57.42 2qgi n ARG 120 Cb 0.41 -3.43 0.02 0.00 -1.02 0.00 0.00 32.46 28.44 2qgi n ARG 120 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2qgi s PRO 121 N -5.59 3.63 0.09 5.56 0.02 -1.25 -4.93 135.00 132.53 2qgi s PRO 121 Ca 0.28 2.33 -0.08 0.00 0.02 0.00 0.00 61.00 63.55 2qgi s PRO 121 Cb -0.12 -2.59 -0.22 0.00 0.02 0.00 0.00 34.50 31.59 2qgi s PRO 121 CO 0.88 -0.83 1.18 -0.07 -0.33 0.00 0.00 177.00 177.83 2qgi h LEU 122 N 2.21 0.61 -8.06 -5.54 3.38 -1.96 -3.43 115.31 102.51 2qgi h LEU 122 Ca -0.51 -0.56 -0.76 0.00 0.09 0.00 0.00 57.88 56.14 2qgi h LEU 122 Cb 1.27 -0.19 -0.25 0.00 0.09 0.00 0.00 40.66 41.58 2qgi h LEU 122 CO 0.61 1.40 -0.22 0.21 0.09 0.00 0.00 178.44 180.53 2qgi s ASN 123 N -7.22 6.18 0.00 -0.43 3.04 -1.26 -4.90 114.94 110.35 2qgi s ASN 123 Ca -0.06 -1.86 0.12 0.00 0.04 0.00 0.00 52.86 51.10 2qgi s ASN 123 Cb 0.07 -2.19 0.49 0.00 -1.54 0.00 0.00 41.25 38.08 2qgi s ASN 123 CO 0.89 -0.83 1.35 1.41 -3.04 0.00 0.00 177.10 176.89 2qgi n HIS 124 N 5.13 0.21 1.24 0.43 8.25 -1.26 -3.73 115.22 125.49 2qgi n HIS 124 Ca -0.12 -0.11 0.13 0.00 -0.26 0.00 0.00 57.72 57.37 2qgi n HIS 124 Cb 0.41 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.96 2qgi n HIS 124 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2qgi n SER 125 N -0.00 0.71 -3.95 0.41 3.41 -1.26 -4.81 113.62 108.12 2qgi n SER 125 Ca 0.10 -0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 58.01 2qgi n SER 125 Cb 0.19 0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 2qgi n SER 125 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2qgi s VAL 126 N -2.60 0.14 -0.19 -3.33 -7.23 -1.24 -5.13 120.40 100.82 2qgi s VAL 126 Ca 0.23 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 2qgi s VAL 126 Cb 0.19 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 36.21 2qgi s VAL 126 CO 0.53 -0.64 1.02 -0.89 -0.31 0.00 0.00 175.10 174.81 2qgi s THR 127 N -2.70 4.73 0.10 5.32 2.01 -1.26 -4.94 115.64 118.89 2qgi s THR 127 Ca -0.04 2.01 -0.30 0.00 0.31 0.00 0.00 61.69 63.67 2qgi s THR 127 Cb -0.01 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 2qgi s THR 127 CO -0.05 -0.11 1.12 0.00 -0.69 0.00 0.00 174.62 174.90 2qgi s ALA 128 N 2.75 3.35 0.02 7.40 0.00 -1.26 -5.04 121.76 128.98 2qgi s ALA 128 Ca 0.45 0.79 0.02 0.00 0.00 0.00 0.00 51.96 53.21 2qgi s ALA 128 Cb -0.16 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2qgi s ALA 128 CO 0.10 -0.31 -0.06 -0.65 0.00 0.00 0.00 175.76 174.85 2qgi s GLN 129 N 0.45 0.42 -0.15 0.00 -0.21 -1.26 -4.41 119.66 114.50 2qgi s GLN 129 Ca 0.54 -0.52 -0.04 0.00 0.02 0.00 0.00 55.36 55.36 2qgi s GLN 129 Cb -0.28 -0.23 0.07 0.00 1.00 0.00 0.00 33.01 33.56 2qgi s GLN 129 CO 0.31 0.05 0.15 0.00 -2.12 0.00 0.00 175.29 173.68 2qgi s ALA 130 N -0.94 0.03 0.15 6.09 0.00 0.17 -3.26 121.76 124.00 2qgi s ALA 130 Ca -0.07 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 51.78 2qgi s ALA 130 Cb -0.07 -1.04 0.06 0.00 0.00 0.00 0.00 23.12 22.07 2qgi s ALA 130 CO -0.00 -0.98 0.78 -0.48 0.00 0.00 0.00 175.76 175.08 2qgi s LEU 131 N 2.24 -0.35 -0.20 0.00 0.05 0.22 -1.00 118.68 119.65 2qgi s LEU 131 Ca 0.04 -0.25 -0.06 0.00 0.05 0.00 0.00 54.13 53.90 2qgi s LEU 131 Cb -0.15 2.40 0.09 0.00 -2.05 0.00 0.00 46.19 46.48 2qgi s LEU 131 CO -0.09 -0.97 0.40 -2.28 -0.55 0.00 0.00 176.35 172.86 2qgi s HIS 132 N -3.54 -0.77 0.14 3.48 2.46 -1.16 -1.81 115.29 114.08 2qgi s HIS 132 Ca 0.07 1.41 -0.25 0.00 0.47 0.00 0.00 55.06 56.76 2qgi s HIS 132 Cb -0.02 0.25 0.07 0.00 -0.13 0.00 0.00 32.58 32.74 2qgi s HIS 132 CO -0.03 -0.50 0.90 -1.50 -2.47 0.00 0.00 174.74 171.14 2qgi s ILE 133 N 2.59 0.00 -0.17 0.89 2.07 -0.50 -4.45 121.20 121.63 2qgi s ILE 133 Ca 0.00 -0.53 -0.01 0.00 -1.41 0.00 0.00 60.65 58.70 2qgi s ILE 133 Cb -0.12 -1.74 -0.00 0.00 0.13 0.00 0.00 42.46 40.72 2qgi s ILE 133 CO -0.13 0.00 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.33 2qgi s SER 134 N -2.84 3.80 0.00 4.50 0.01 -0.44 -0.80 113.70 117.93 2qgi s SER 134 Ca 0.10 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2qgi s SER 134 Cb -0.02 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2qgi s SER 134 CO -0.00 0.06 0.00 -0.90 0.41 0.00 0.00 173.24 172.81 2qgi n ASP 135 N 4.22 0.00 0.30 2.44 5.68 -0.59 -0.56 116.55 128.05 2qgi n ASP 135 Ca -0.19 -0.62 0.15 0.00 -0.50 0.00 0.00 54.79 53.63 2qgi n ASP 135 Cb 0.51 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.42 2qgi n ASP 135 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2qgi h VAL 136 N 0.62 0.49 -0.01 2.12 3.04 -1.78 -1.46 116.25 119.27 2qgi h VAL 136 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2qgi h VAL 136 Cb 0.00 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2qgi h VAL 136 CO 0.00 0.01 -0.05 0.49 -1.01 0.00 0.00 177.57 177.01 2qgi n PHE 137 N -3.78 0.00 0.00 3.17 3.72 -1.26 -4.97 117.46 114.33 2qgi n PHE 137 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2qgi n PHE 137 Cb 0.09 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2qgi n PHE 137 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qgi n GLY 138 N 1.18 4.08 3.78 1.37 0.00 -0.55 -5.06 105.19 110.00 2qgi n GLY 138 Ca 0.18 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 2qgi n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qgi s ASN 139 N 0.00 7.35 -1.25 1.61 0.01 -1.26 -1.54 114.94 119.87 2qgi s ASN 139 Ca 0.00 1.63 -0.15 0.00 -0.71 0.00 0.00 52.86 53.64 2qgi s ASN 139 Cb 0.00 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.16 2qgi s ASN 139 CO 0.00 0.18 0.64 0.47 -1.51 0.00 0.00 177.10 176.88 2qgi n ASP 140 N 1.44 -3.29 -4.73 -1.22 9.92 -1.19 -4.94 116.55 112.53 2qgi n ASP 140 Ca -0.05 -1.04 -0.23 0.00 -0.53 0.00 0.00 54.79 52.94 2qgi n ASP 140 Cb 0.49 -3.08 -0.06 0.00 -0.64 0.00 0.00 41.12 37.83 2qgi n ASP 140 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qgi s ARG 141 N -6.35 2.60 0.05 -1.24 1.70 0.02 -4.95 118.95 110.78 2qgi s ARG 141 Ca 0.30 -1.19 0.02 0.00 -0.47 0.00 0.00 55.73 54.38 2qgi s ARG 141 Cb -0.12 -2.38 -0.03 0.00 -0.57 0.00 0.00 34.95 31.85 2qgi s ARG 141 CO 0.88 0.40 -0.07 1.03 -1.08 0.00 0.00 175.30 176.47 2qgi s ARG 142 N -3.60 0.55 0.01 3.89 0.52 -1.26 -1.41 118.95 117.65 2qgi s ARG 142 Ca 0.31 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 2qgi s ARG 142 Cb -0.08 -0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.17 2qgi s ARG 142 CO 0.22 0.02 -0.10 1.03 0.02 0.00 0.00 175.30 176.49 2qgi s ARG 143 N -2.02 0.76 2.88 3.54 1.81 -0.75 -4.95 118.95 120.22 2qgi s ARG 143 Ca -0.07 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 2qgi s ARG 143 Cb -0.07 -0.72 0.00 0.00 -0.45 0.00 0.00 34.95 33.71 2qgi s ARG 143 CO -0.01 0.19 0.00 0.41 -0.68 0.00 0.00 175.30 175.21 2qgi n GLY 144 N 2.55 0.41 2.86 -3.53 0.00 -1.20 -0.61 105.19 105.68 2qgi n GLY 144 Ca -0.15 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 2qgi n GLY 144 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qgi s ASN 145 N -4.00 2.49 0.06 1.61 -0.87 -1.26 -4.79 114.94 108.18 2qgi s ASN 145 Ca 0.00 -0.50 0.03 0.00 -1.57 0.00 0.00 52.86 50.82 2qgi s ASN 145 Cb 0.00 -0.80 -0.04 0.00 -0.02 0.00 0.00 41.25 40.39 2qgi s ASN 145 CO 0.00 -0.18 0.03 0.68 -2.57 0.00 0.00 177.10 175.06 2qgi s VAL 146 N 1.72 4.23 0.45 1.60 -7.23 -1.26 -4.14 120.40 115.78 2qgi s VAL 146 Ca 0.02 -0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 59.19 2qgi s VAL 146 Cb -0.14 -2.99 -0.10 0.00 0.56 0.00 0.00 36.38 33.71 2qgi s VAL 146 CO -0.08 0.20 0.99 -2.16 -0.31 0.00 0.00 175.10 173.74 2qgi s PRO 147 N -2.11 4.05 0.11 4.82 0.04 -1.26 -4.71 135.00 135.94 2qgi s PRO 147 Ca 0.25 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.26 2qgi s PRO 147 Cb -0.12 -2.15 0.07 0.00 0.04 0.00 0.00 34.50 32.34 2qgi s PRO 147 CO 0.17 -0.19 0.60 0.00 0.04 0.00 0.00 177.00 177.61 2qgi s ARG 149 N -3.16 4.16 0.16 0.00 3.52 -1.26 -0.84 118.95 121.52 2qgi s ARG 149 Ca -0.02 1.94 0.03 0.00 -0.13 0.00 0.00 55.73 57.55 2qgi s ARG 149 Cb -0.01 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.53 2qgi s ARG 149 CO -0.08 -0.26 -0.03 0.14 -0.81 0.00 0.00 175.30 174.26 2qgi s VAL 150 N -1.32 0.83 -1.88 7.11 -7.23 0.46 -1.49 120.40 116.88 2qgi s VAL 150 Ca 0.54 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.89 2qgi s VAL 150 Cb -0.33 -2.00 0.08 0.00 0.56 0.00 0.00 36.38 34.68 2qgi s VAL 150 CO 0.43 -0.60 0.97 -1.84 -0.31 0.00 0.00 175.10 173.75 2qgi n GLU 151 N -0.21 1.52 -3.44 4.82 0.28 0.45 -4.25 120.64 119.80 2qgi n GLU 151 Ca -0.08 -1.23 -0.12 0.00 -0.16 0.00 0.00 57.16 55.57 2qgi n GLU 151 Cb 0.62 -1.31 -0.03 0.00 1.43 0.00 0.00 31.44 32.16 2qgi n GLU 151 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2qgi s SER 152 N -1.65 -0.56 0.02 -1.84 1.04 -1.25 -4.50 113.70 104.97 2qgi s SER 152 Ca 0.17 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.67 2qgi s SER 152 Cb 0.14 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 2qgi s SER 152 CO 0.30 -0.93 -0.06 -0.76 0.98 0.00 0.00 173.24 172.77 2qgi s LEU 153 N -2.61 2.16 0.28 2.42 1.43 -1.26 -2.07 118.68 119.04 2qgi s LEU 153 Ca -0.00 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2qgi s LEU 153 Cb -0.01 -0.17 -0.10 0.00 0.03 0.00 0.00 46.19 45.94 2qgi s LEU 153 CO -0.11 -0.11 1.45 -0.62 0.23 0.00 0.00 176.35 177.19 2qgi s ASP 154 N -1.01 6.59 0.00 2.29 2.15 0.85 -3.90 116.67 123.65 2qgi s ASP 154 Ca -0.06 2.76 0.20 0.00 0.43 0.00 0.00 52.55 55.88 2qgi s ASP 154 Cb -0.07 -2.63 0.96 0.00 -0.30 0.00 0.00 42.92 40.88 2qgi s ASP 154 CO 0.00 -0.73 1.61 -0.62 -0.17 0.00 0.00 175.17 175.27 2qgi n GLU 155 N 1.84 0.23 0.25 4.34 4.71 -1.26 -3.88 120.64 126.87 2qgi n GLU 155 Ca 0.05 0.11 0.10 0.00 -0.01 0.00 0.00 57.16 57.41 2qgi n GLU 155 Cb 0.40 -1.50 0.65 0.00 -1.01 0.00 0.00 31.44 29.97 2qgi n GLU 155 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qgi s PHE 157 N -4.33 -1.09 0.17 0.00 5.36 -1.25 -0.96 117.98 115.88 2qgi s PHE 157 Ca -0.03 1.76 -0.08 0.00 -0.96 0.00 0.00 56.93 57.62 2qgi s PHE 157 Cb 0.14 0.61 -0.01 0.00 -0.34 0.00 0.00 43.02 43.41 2qgi s PHE 157 CO 0.62 -0.55 0.27 -0.48 -1.46 0.00 0.00 175.22 173.62 2qgi s LEU 158 N 2.73 1.00 0.07 6.12 0.05 -0.38 -3.52 118.68 124.75 2qgi s LEU 158 Ca -0.02 -0.96 -0.12 0.00 0.05 0.00 0.00 54.13 53.09 2qgi s LEU 158 Cb -0.10 1.09 0.01 0.00 -2.05 0.00 0.00 46.19 45.14 2qgi s LEU 158 CO -0.18 -0.90 0.27 -1.48 -0.55 0.00 0.00 176.35 173.51 2qgi s LEU 159 N -3.00 1.01 0.18 1.48 0.05 0.11 -0.50 118.68 118.02 2qgi s LEU 159 Ca 0.20 -0.37 -0.07 0.00 0.05 0.00 0.00 54.13 53.94 2qgi s LEU 159 Cb 0.04 1.30 -0.02 0.00 -2.05 0.00 0.00 46.19 45.46 2qgi s LEU 159 CO 0.02 -0.69 0.27 0.00 -0.55 0.00 0.00 176.35 175.40 2qgi s MET 160 N -3.18 1.21 0.16 1.48 0.23 -0.52 -1.27 119.30 117.41 2qgi s MET 160 Ca -0.01 -1.30 -0.30 0.00 -1.03 0.00 0.00 55.69 53.06 2qgi s MET 160 Cb 0.01 0.36 -0.08 0.00 -1.53 0.00 0.00 34.83 33.60 2qgi s MET 160 CO -0.07 -0.44 1.16 1.03 -2.03 0.00 0.00 175.02 174.66 2qgi s ARG 161 N -4.02 4.53 0.25 3.16 0.52 -1.26 -0.17 118.95 121.95 2qgi s ARG 161 Ca 0.23 1.79 -0.05 0.00 -0.52 0.00 0.00 55.73 57.18 2qgi s ARG 161 Cb 0.04 -3.27 0.33 0.00 0.52 0.00 0.00 34.95 32.57 2qgi s ARG 161 CO 0.04 -0.04 1.88 -0.09 0.02 0.00 0.00 175.30 177.10 2qgi h ARG 162 N 5.39 1.07 -0.01 3.54 2.43 -1.25 -2.03 114.38 123.53 2qgi h ARG 162 Ca -0.44 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2qgi h ARG 162 Cb 1.21 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2qgi h ARG 162 CO 0.74 0.71 -0.01 1.28 -1.51 0.00 0.00 179.97 181.18 2qgi n LEU 163 N -4.54 0.64 -3.18 3.80 4.77 -1.26 -4.08 117.00 113.15 2qgi n LEU 163 Ca 0.13 -0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2qgi n LEU 163 Cb 0.14 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2qgi n LEU 163 CO 0.33 0.11 -0.21 0.29 -1.33 0.00 0.00 177.39 176.57 2qgi n LYS 164 N -0.54 1.11 -1.58 3.23 5.02 -0.77 -5.13 118.16 119.50 2qgi n LYS 164 Ca 0.21 -3.48 -0.29 0.00 -2.02 0.00 0.00 58.31 52.73 2qgi n LYS 164 Cb 0.23 -1.61 0.12 0.00 -0.02 0.00 0.00 35.03 33.75 2qgi n LYS 164 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qgi s PRO 165 N -2.11 1.46 0.01 1.97 0.04 -1.17 -4.28 135.00 130.92 2qgi s PRO 165 Ca 0.39 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.83 2qgi s PRO 165 Cb 0.28 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.94 2qgi s PRO 165 CO -0.09 -1.99 -0.12 0.08 0.04 0.00 0.00 177.00 174.91 2qgi s VAL 166 N -3.28 0.97 0.04 -0.36 1.01 -1.26 -5.07 120.40 112.45 2qgi s VAL 166 Ca 0.63 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2qgi s VAL 166 Cb -0.14 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 2qgi s VAL 166 CO 0.53 0.14 0.04 -0.76 0.00 0.00 0.00 175.10 175.04 2qgi s LEU 167 N -0.65 3.65 0.54 3.92 1.43 -1.26 -5.08 118.68 121.22 2qgi s LEU 167 Ca 0.03 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 2qgi s LEU 167 Cb -0.06 -2.24 -0.07 0.00 0.03 0.00 0.00 46.19 43.85 2qgi s LEU 167 CO 0.00 0.22 1.00 0.20 0.23 0.00 0.00 176.35 178.00 2qgi s ASN 168 N -2.02 6.45 0.84 2.29 0.02 -1.26 -4.80 114.94 116.46 2qgi s ASN 168 Ca 0.24 1.59 -0.13 0.00 -1.02 0.00 0.00 52.86 53.55 2qgi s ASN 168 Cb -0.12 -2.51 0.09 0.00 0.02 0.00 0.00 41.25 38.73 2qgi s ASN 168 CO 0.16 -0.71 1.10 -1.20 0.02 0.00 0.00 177.10 176.47 2qgi n SER 169 N -1.78 0.52 0.06 -1.22 7.64 -1.26 -4.96 113.62 112.62 2qgi n SER 169 Ca 0.07 0.53 0.11 0.00 1.01 0.00 0.00 58.87 60.59 2qgi n SER 169 Cb 0.54 -1.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.22 2qgi n SER 169 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2qgi n TYR 170 N -3.49 0.61 -1.00 1.43 4.01 -1.26 -4.39 117.16 113.07 2qgi n TYR 170 Ca 0.13 0.18 -0.06 0.00 -0.16 0.00 0.00 57.90 57.98 2qgi n TYR 170 Cb 0.51 -0.78 0.31 0.00 -0.31 0.00 0.00 39.34 39.07 2qgi n TYR 170 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2qgi n ASP 171 N -2.50 4.87 -3.99 7.72 5.75 -1.26 -4.84 116.55 122.31 2qgi n ASP 171 Ca -0.01 -3.19 -0.12 0.00 -0.01 0.00 0.00 54.79 51.46 2qgi n ASP 171 Cb 0.55 -0.75 -0.12 0.00 -1.03 0.00 0.00 41.12 39.77 2qgi n ASP 171 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2qgi s MET 172 N -2.95 0.36 -0.01 0.11 -1.94 -1.26 -5.12 119.30 108.49 2qgi s MET 172 Ca 0.55 -0.54 -0.01 0.00 -1.71 0.00 0.00 55.69 53.97 2qgi s MET 172 Cb 0.44 -0.11 0.00 0.00 2.01 0.00 0.00 34.83 37.17 2qgi s MET 172 CO 0.14 0.01 0.04 1.14 -0.01 0.00 0.00 175.02 176.34 2qgi s GLN 173 N -1.16 0.08 0.00 2.03 1.03 -1.26 -4.74 119.66 115.63 2qgi s GLN 173 Ca -0.10 -0.01 0.00 0.00 0.04 0.00 0.00 55.36 55.29 2qgi s GLN 173 Cb -0.08 0.04 0.00 0.00 0.03 0.00 0.00 33.01 33.00 2qgi s GLN 173 CO -0.00 -0.01 0.00 0.41 -2.54 0.00 0.00 175.29 173.15 2qgi n GLY 174 N 2.90 0.78 0.92 2.60 0.00 -1.26 -4.94 105.19 106.18 2qgi n GLY 174 Ca -0.13 -1.76 0.05 0.00 0.00 0.00 0.00 46.02 44.17 2qgi n GLY 174 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qgi n PHE 175 N 9.00 0.00 -4.02 1.61 3.72 -1.26 -0.54 117.46 125.96 2qgi n PHE 175 Ca 0.00 -1.02 -0.09 0.00 -0.05 0.00 0.00 57.45 56.29 2qgi n PHE 175 Cb 0.00 -0.20 -0.11 0.00 -0.94 0.00 0.00 39.48 38.24 2qgi n PHE 175 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2qgi s HIS 176 N -1.83 0.38 0.00 1.38 3.76 -1.26 -4.92 115.29 112.80 2qgi s HIS 176 Ca 0.35 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 2qgi s HIS 176 Cb 0.36 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.78 2qgi s HIS 176 CO -0.10 -0.23 0.00 0.66 -0.85 0.00 0.00 174.74 174.22 2qgi n TYR 177 N 1.13 0.00 0.58 1.40 4.02 -1.26 -4.87 117.16 118.16 2qgi n TYR 177 Ca -0.21 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.79 2qgi n TYR 177 Cb 0.57 -0.93 0.44 0.00 -0.02 0.00 0.00 39.34 39.40 2qgi n TYR 177 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2qgi n TYR 178 N -2.32 0.43 -0.05 -0.72 0.18 -1.26 -0.92 117.16 112.50 2qgi n TYR 178 Ca 0.00 0.15 -0.13 0.00 1.88 0.00 0.00 57.90 59.80 2qgi n TYR 178 Cb 0.16 -0.74 -0.11 0.00 -0.38 0.00 0.00 39.34 38.27 2qgi n TYR 178 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2qgi h GLY 179 N 3.26 -0.01 0.99 -7.48 0.00 -1.90 -2.59 103.07 95.33 2qgi h GLY 179 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2qgi h GLY 179 CO 0.00 -0.01 0.31 0.00 0.00 0.00 0.00 176.54 176.85 2qgi h ALA 180 N 0.06 0.71 -0.81 3.60 0.00 -1.63 -2.04 119.26 119.15 2qgi h ALA 180 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2qgi h ALA 180 Cb 0.81 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2qgi h ALA 180 CO 0.00 0.22 0.53 0.22 0.00 0.00 0.00 179.25 180.22 2qgi h ASP 181 N 0.74 0.90 -0.61 0.00 3.58 -1.13 -0.35 116.42 119.56 2qgi h ASP 181 Ca 0.20 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 2qgi h ASP 181 Cb 0.03 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 2qgi h ASP 181 CO -0.03 0.64 0.16 0.25 -2.88 0.00 0.00 179.24 177.38 2qgi h LEU 182 N 1.06 0.95 -0.67 2.28 5.85 -1.12 -1.39 115.31 122.28 2qgi h LEU 182 Ca 0.31 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 2qgi h LEU 182 Cb -0.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 2qgi h LEU 182 CO -0.08 0.91 -0.25 0.00 -0.34 0.00 0.00 178.44 178.68 2qgi h LEU 184 N 0.66 0.81 -0.78 0.00 3.38 -0.77 -2.05 115.31 116.56 2qgi h LEU 184 Ca 0.09 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 2qgi h LEU 184 Cb 0.77 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2qgi h LEU 184 CO 0.06 1.02 -0.28 1.56 0.09 0.00 0.00 178.44 180.88 2qgi h GLN 185 N 0.69 0.60 -1.01 1.13 1.08 -1.12 -0.92 115.11 115.56 2qgi h GLN 185 Ca 0.09 -0.25 0.05 0.00 -1.45 0.00 0.00 58.65 57.09 2qgi h GLN 185 Cb 0.76 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.10 2qgi h GLN 185 CO 0.06 0.82 0.66 0.00 -0.95 0.00 0.00 178.83 179.42 2qgi h ALA 186 N 1.17 1.37 -0.37 3.87 0.00 -0.75 0.60 119.26 125.15 2qgi h ALA 186 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2qgi h ALA 186 Cb 0.76 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2qgi h ALA 186 CO 0.06 0.51 0.11 1.49 0.00 0.00 0.00 179.25 181.42 2qgi h GLU 187 N 1.24 0.58 -0.85 0.00 4.81 -0.60 -0.48 114.58 119.28 2qgi h GLU 187 Ca 0.42 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 2qgi h GLU 187 Cb 0.07 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 2qgi h GLU 187 CO -0.15 0.61 0.55 0.74 -0.73 0.00 0.00 179.01 180.03 2qgi h PHE 188 N 0.45 0.93 0.00 0.92 0.04 -0.22 -0.56 116.94 118.50 2qgi h PHE 188 Ca 0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2qgi h PHE 188 Cb 0.27 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.12 2qgi h PHE 188 CO 0.01 0.47 0.00 1.28 -0.60 0.00 0.00 178.31 179.47 2qgi n LEU 189 N -4.50 0.00 0.00 1.54 4.77 0.11 -4.92 117.00 114.00 2qgi n LEU 189 Ca 0.13 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2qgi n LEU 189 Cb 0.24 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2qgi n LEU 189 CO 0.32 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2qgi n GLY 190 N 0.85 0.58 0.00 -0.72 0.00 -0.22 -5.06 105.19 100.62 2qgi n GLY 190 Ca 0.21 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2qgi n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qgi n GLY 191 N -2.69 4.70 3.14 -0.02 0.00 -0.24 -5.01 105.19 105.06 2qgi n GLY 191 Ca 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 2qgi n GLY 191 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qgi s ARG 192 N -1.58 0.75 0.03 1.61 0.52 -0.54 -3.61 118.95 116.12 2qgi s ARG 192 Ca 0.00 -1.25 0.09 0.00 -0.52 0.00 0.00 55.73 54.05 2qgi s ARG 192 Cb 0.00 -0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.34 2qgi s ARG 192 CO 0.00 -0.04 -0.25 0.00 0.02 0.00 0.00 175.30 175.03 2qgi s ALA 193 N -3.48 2.28 0.05 2.13 0.00 -1.26 0.35 121.76 121.82 2qgi s ALA 193 Ca 0.08 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2qgi s ALA 193 Cb 0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2qgi s ALA 193 CO -0.06 0.54 -0.11 0.71 0.00 0.00 0.00 175.76 176.84 2qgi s TYR 194 N -0.77 0.93 -0.20 0.00 1.51 -0.46 -0.40 117.35 117.96 2qgi s TYR 194 Ca 0.12 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.61 2qgi s TYR 194 Cb -0.10 -0.55 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 2qgi s TYR 194 CO 0.02 -0.01 0.30 0.00 -1.11 0.00 0.00 175.55 174.75 2qgi s ALA 195 N -1.15 3.58 0.43 3.71 0.00 -0.02 -0.82 121.76 127.48 2qgi s ALA 195 Ca -0.04 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2qgi s ALA 195 Cb -0.09 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 2qgi s ALA 195 CO 0.01 -0.16 0.42 0.96 0.00 0.00 0.00 175.76 176.99 2qgi s ILE 196 N 1.00 2.66 -0.57 0.00 -4.36 0.62 -0.88 121.20 119.66 2qgi s ILE 196 Ca 0.15 -1.29 -0.18 0.00 -0.26 0.00 0.00 60.65 59.07 2qgi s ILE 196 Cb -0.14 -2.95 0.10 0.00 1.25 0.00 0.00 42.46 40.72 2qgi s ILE 196 CO 0.06 0.00 0.66 -0.62 0.24 0.00 0.00 174.94 175.28 2qgi s ASP 197 N -4.18 6.19 -0.38 4.36 -1.08 -1.26 -4.51 116.67 115.81 2qgi s ASP 197 Ca 0.49 -1.41 0.03 0.00 -0.52 0.00 0.00 52.55 51.14 2qgi s ASP 197 Cb -0.04 -2.29 0.16 0.00 -1.46 0.00 0.00 42.92 39.29 2qgi s ASP 197 CO 0.29 -1.05 0.39 0.12 0.52 0.00 0.00 175.17 175.44 2qgi s PHE 198 N 2.53 -0.32 -0.04 -5.34 5.36 -1.26 -4.94 117.98 113.97 2qgi s PHE 198 Ca 0.11 -0.84 -0.30 0.00 -0.96 0.00 0.00 56.93 54.94 2qgi s PHE 198 Cb -0.24 -0.39 -0.04 0.00 -0.34 0.00 0.00 43.02 42.00 2qgi s PHE 198 CO 0.06 -0.98 1.35 -1.58 -1.46 0.00 0.00 175.22 172.62 2qgi s HIS 199 N 1.39 2.88 0.34 10.12 5.65 -1.26 -4.89 115.29 129.52 2qgi s HIS 199 Ca 0.17 0.90 0.07 0.00 0.25 0.00 0.00 55.06 56.46 2qgi s HIS 199 Cb -0.15 -3.60 -0.03 0.00 -1.18 0.00 0.00 32.58 27.62 2qgi s HIS 199 CO -0.03 -2.16 0.27 -0.48 -0.65 0.00 0.00 174.74 171.70 2qgi s LEU 200 N 2.57 1.80 -0.21 8.88 0.05 -1.26 -3.98 118.68 126.53 2qgi s LEU 200 Ca 0.61 -1.77 -0.05 0.00 0.05 0.00 0.00 54.13 52.97 2qgi s LEU 200 Cb -0.29 0.51 -0.02 0.00 -2.05 0.00 0.00 46.19 44.34 2qgi s LEU 200 CO 0.24 -1.07 0.01 -2.28 -0.55 0.00 0.00 176.35 172.71 2qgi s HIS 201 N -3.39 3.05 -0.26 3.48 5.65 -0.27 -1.32 115.29 122.23 2qgi s HIS 201 Ca 0.39 -0.45 -0.02 0.00 0.25 0.00 0.00 55.06 55.23 2qgi s HIS 201 Cb 0.02 -2.11 0.03 0.00 -1.18 0.00 0.00 32.58 29.34 2qgi s HIS 201 CO 0.27 -0.26 -0.05 -1.58 -0.65 0.00 0.00 174.74 172.48 2qgi s HIS 202 N 1.10 3.10 -1.11 3.88 2.46 0.28 -1.01 115.29 123.98 2qgi s HIS 202 Ca 0.03 -1.58 0.18 0.00 0.47 0.00 0.00 55.06 54.15 2qgi s HIS 202 Cb -0.14 -2.07 0.66 0.00 -0.13 0.00 0.00 32.58 30.90 2qgi s HIS 202 CO 0.02 -0.74 1.57 2.48 -2.47 0.00 0.00 174.74 175.61 2qgi n TYR 203 N 4.67 1.30 -1.68 3.88 4.11 -0.54 -4.08 117.16 124.82 2qgi n TYR 203 Ca -0.16 -0.61 -0.38 0.00 -0.00 0.00 0.00 57.90 56.75 2qgi n TYR 203 Cb 0.47 -0.21 0.05 0.00 -0.00 0.00 0.00 39.34 39.65 2qgi n TYR 203 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qgi n GLY 204 N 0.99 0.24 3.87 -7.48 0.00 -1.26 -4.87 105.19 96.68 2qgi n GLY 204 Ca 0.24 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2qgi n GLY 204 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qgi s ARG 205 N -2.93 3.84 0.00 1.61 3.52 -1.26 -4.47 118.95 119.26 2qgi s ARG 205 Ca 0.76 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.84 2qgi s ARG 205 Cb -0.41 -2.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 2qgi s ARG 205 CO 0.46 0.08 0.23 0.00 -0.81 0.00 0.00 175.30 175.26 2qgi n ALA 206 N -0.84 1.62 -1.61 6.12 0.00 -1.26 -4.88 120.51 119.67 2qgi n ALA 206 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.93 2qgi n ALA 206 Cb 0.54 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 2qgi n ALA 206 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qgi n ILE 207 N 0.47 0.33 -2.10 0.00 5.41 -1.26 -4.88 119.36 117.34 2qgi n ILE 207 Ca 0.00 -0.14 -0.40 0.00 1.00 0.00 0.00 62.75 63.21 2qgi n ILE 207 Cb 0.11 -1.54 -0.02 0.00 -0.71 0.00 0.00 39.64 37.49 2qgi n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qgi s ALA 208 N 5.07 3.41 0.09 -1.39 0.00 -1.26 -5.07 121.76 122.61 2qgi s ALA 208 Ca 1.01 1.24 0.02 0.00 0.00 0.00 0.00 51.96 54.24 2qgi s ALA 208 Cb -0.90 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 18.70 2qgi s ALA 208 CO 0.56 -0.70 -0.07 0.16 0.00 0.00 0.00 175.76 175.71 2qgi s ASP 209 N -0.59 1.18 0.58 0.00 3.84 -1.26 -5.05 116.67 115.37 2qgi s ASP 209 Ca 0.52 -0.92 0.32 0.00 -0.00 0.00 0.00 52.55 52.46 2qgi s ASP 209 Cb -0.39 0.07 1.79 0.00 -1.38 0.00 0.00 42.92 43.01 2qgi s ASP 209 CO 0.51 -0.40 2.21 1.05 -0.00 0.00 0.00 175.17 178.54 2qgi h GLU 210 N 3.23 0.00 0.00 2.11 4.11 -2.02 -2.68 114.58 119.33 2qgi h GLU 210 Ca -0.36 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.02 2qgi h GLU 210 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2qgi h GLU 210 CO 0.60 0.04 -0.25 -0.91 0.07 0.00 0.00 179.01 178.56 2qgi h ASN 211 N 0.00 0.00 0.27 3.06 4.21 -1.99 -2.11 115.58 119.03 2qgi h ASN 211 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 2qgi h ASN 211 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 2qgi h ASN 211 CO 0.01 0.25 -0.13 0.15 -1.29 0.00 0.00 177.43 176.42 2qgi h PHE 212 N 0.00 -0.34 -0.95 1.19 3.57 -1.89 0.77 116.94 119.29 2qgi h PHE 212 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2qgi h PHE 212 Cb 0.72 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 2qgi h PHE 212 CO 0.00 -0.16 0.59 0.45 -2.23 0.00 0.00 178.31 176.96 2qgi h HIS 213 N -0.43 1.23 0.06 0.41 3.86 -1.64 -0.14 115.15 118.50 2qgi h HIS 213 Ca -0.04 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2qgi h HIS 213 Cb 0.32 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2qgi h HIS 213 CO -0.04 0.80 -0.12 -0.09 0.86 0.00 0.00 177.93 179.34 2qgi h ARG 214 N 1.30 -0.22 -0.05 2.45 2.43 -1.28 -1.67 114.38 117.35 2qgi h ARG 214 Ca 0.34 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.40 2qgi h ARG 214 Cb -0.09 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2qgi h ARG 214 CO -0.07 -0.15 -0.56 -0.07 -1.51 0.00 0.00 179.97 177.62 2qgi h LEU 215 N -0.23 0.15 -0.28 3.80 3.38 -0.69 -0.53 115.31 120.92 2qgi h LEU 215 Ca 0.02 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qgi h LEU 215 Cb 0.25 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2qgi h LEU 215 CO -0.08 0.68 0.11 -0.09 0.09 0.00 0.00 178.44 179.15 2qgi h ARG 216 N 0.10 0.24 -0.61 1.13 2.43 -0.81 0.22 114.38 117.09 2qgi h ARG 216 Ca -0.00 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2qgi h ARG 216 Cb 1.02 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 2qgi h ARG 216 CO 0.08 0.16 0.24 1.96 -1.51 0.00 0.00 179.97 180.90 2qgi h GLN 217 N 0.25 0.91 -0.71 0.20 4.20 -1.04 -1.73 115.11 117.19 2qgi h GLN 217 Ca 0.12 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2qgi h GLN 217 Cb 0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2qgi h GLN 217 CO -0.11 0.77 0.30 0.93 -0.67 0.00 0.00 178.83 180.06 2qgi h GLU 218 N 0.84 1.05 -0.61 1.46 5.08 -0.77 0.17 114.58 121.80 2qgi h GLU 218 Ca 0.20 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2qgi h GLU 218 Cb 0.21 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2qgi h GLU 218 CO -0.02 0.85 0.39 0.52 -1.00 0.00 0.00 179.01 179.76 2qgi h MET 219 N 1.00 0.80 -0.21 2.33 2.86 -0.36 -0.65 114.93 120.71 2qgi h MET 219 Ca 0.24 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2qgi h MET 219 Cb 0.18 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2qgi h MET 219 CO -0.02 0.54 0.05 0.00 1.06 0.00 0.00 176.91 178.54 2qgi h ALA 220 N 1.21 0.28 -0.86 6.32 0.00 -0.85 -0.19 119.26 125.17 2qgi h ALA 220 Ca 0.22 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qgi h ALA 220 Cb -0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2qgi h ALA 220 CO -0.05 -0.07 0.56 1.96 0.00 0.00 0.00 179.25 181.65 2qgi h GLN 221 N 0.15 1.13 0.30 0.00 4.20 -0.74 -0.33 115.11 119.82 2qgi h GLN 221 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2qgi h GLN 221 Cb 0.28 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2qgi h GLN 221 CO 0.00 0.76 -0.14 -0.22 -0.67 0.00 0.00 178.83 178.55 2qgi h LYS 222 N 1.16 -0.39 0.00 1.46 3.64 -1.02 -3.38 116.57 118.05 2qgi h LYS 222 Ca 0.31 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2qgi h LYS 222 Cb -0.12 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2qgi h LYS 222 CO -0.07 -0.08 -0.13 1.88 -2.27 0.00 0.00 179.45 178.79 2qgi h TYR 223 N -0.96 0.00 -0.06 1.91 -1.99 -1.00 -3.01 116.97 111.85 2qgi h TYR 223 Ca -0.04 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.71 2qgi h TYR 223 Cb 0.49 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 2qgi h TYR 223 CO 0.04 0.07 0.10 0.07 -0.00 0.00 0.00 178.16 178.43 2qgi h ARG 224 N 0.00 0.00 -0.16 4.88 0.11 -1.22 0.14 114.38 118.13 2qgi h ARG 224 Ca -0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2qgi h ARG 224 Cb 1.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 2qgi h ARG 224 CO 0.01 0.00 -0.08 0.00 0.10 0.00 0.00 179.97 180.00 2qgi h ARG 225 N 0.00 0.24 0.00 0.08 3.08 -1.71 -2.82 114.38 113.24 2qgi h ARG 225 Ca 0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2qgi h ARG 225 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qgi h ARG 225 CO -0.00 0.33 -1.19 0.91 -1.07 0.00 0.00 179.97 178.95 2qgi n TRP 226 N -4.32 0.00 -2.79 3.04 8.01 -0.65 -4.70 117.44 116.02 2qgi n TRP 226 Ca -0.01 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.91 2qgi n TRP 226 Cb 0.23 -0.12 -0.03 0.00 -2.01 0.00 0.00 31.31 29.39 2qgi n TRP 226 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2qgi n PHE 227 N -1.82 3.85 -1.80 -5.99 3.72 0.38 -5.09 117.46 110.71 2qgi n PHE 227 Ca -0.03 -3.70 -0.42 0.00 -0.05 0.00 0.00 57.45 53.25 2qgi n PHE 227 Cb 0.29 -0.39 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 2qgi n PHE 227 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2qgi s PRO 228 N -3.52 4.14 0.00 -1.08 0.04 -1.07 -2.02 135.00 131.49 2qgi s PRO 228 Ca 0.49 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.07 2qgi s PRO 228 Cb 0.31 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2qgi s PRO 228 CO -0.16 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2qgi n GLY 229 N 2.59 2.20 3.77 0.56 0.00 0.22 -4.92 105.19 109.61 2qgi n GLY 229 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2qgi n GLY 229 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qgi s ARG 230 N -0.48 3.74 -0.28 1.61 3.52 -0.86 -4.75 118.95 121.44 2qgi s ARG 230 Ca 0.00 1.80 -0.06 0.00 -0.13 0.00 0.00 55.73 57.33 2qgi s ARG 230 Cb 0.00 -2.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.99 2qgi s ARG 230 CO 0.00 -0.58 0.06 0.42 -0.81 0.00 0.00 175.30 174.39 2qgi s ILE 231 N -1.53 3.85 -0.25 4.11 1.01 -1.26 -0.84 121.20 126.28 2qgi s ILE 231 Ca 0.64 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2qgi s ILE 231 Cb -0.29 -2.95 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2qgi s ILE 231 CO 0.35 0.13 0.42 -0.22 0.00 0.00 0.00 174.94 175.63 2qgi s LEU 232 N 1.49 4.06 -0.02 2.97 2.96 0.29 -4.89 118.68 125.54 2qgi s LEU 232 Ca 0.03 0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 54.16 2qgi s LEU 232 Cb -0.17 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 2qgi s LEU 232 CO 0.01 -0.20 0.50 -1.00 -1.32 0.00 0.00 176.35 174.34 2qgi s HIS 233 N 2.01 3.67 0.10 5.38 3.76 -1.26 0.01 115.29 128.95 2qgi s HIS 233 Ca 0.18 1.05 0.04 0.00 -0.15 0.00 0.00 55.06 56.18 2qgi s HIS 233 Cb -0.16 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 2qgi s HIS 233 CO 0.09 0.43 -0.11 0.00 -0.85 0.00 0.00 174.74 174.30 2qgi h VAL 235 N 3.57 0.21 -0.00 0.00 -1.51 -1.83 0.93 116.25 117.62 2qgi h VAL 235 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2qgi h VAL 235 Cb 1.19 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2qgi h VAL 235 CO 0.52 0.00 -0.05 0.35 -1.23 0.00 0.00 177.57 177.16 2qgi n THR 236 N -3.36 0.00 0.00 7.19 -2.24 -1.26 -5.02 114.28 109.59 2qgi n THR 236 Ca -0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2qgi n THR 236 Cb 0.20 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2qgi n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qgi n GLY 237 N 1.21 3.60 3.82 3.38 0.00 0.32 -5.10 105.19 112.42 2qgi n GLY 237 Ca 0.17 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 2qgi n GLY 237 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qgi s ARG 238 N -2.61 4.15 -0.19 1.61 0.52 -1.26 -2.02 118.95 119.14 2qgi s ARG 238 Ca 0.00 1.13 -0.02 0.00 -0.52 0.00 0.00 55.73 56.33 2qgi s ARG 238 Cb 0.00 -2.17 0.06 0.00 0.52 0.00 0.00 34.95 33.36 2qgi s ARG 238 CO 0.00 -0.10 0.00 0.08 0.02 0.00 0.00 175.30 175.30 2qgi s VAL 239 N -2.20 0.84 -0.27 3.52 1.01 0.10 -4.97 120.40 118.43 2qgi s VAL 239 Ca 0.62 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 2qgi s VAL 239 Cb -0.10 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2qgi s VAL 239 CO 0.16 -0.12 1.01 0.00 0.00 0.00 0.00 175.10 176.15 2qgi s ALA 240 N 1.72 3.59 0.27 5.51 0.00 -1.26 -0.55 121.76 131.04 2qgi s ALA 240 Ca -0.02 -0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.02 2qgi s ALA 240 Cb -0.17 -3.55 0.34 0.00 0.00 0.00 0.00 23.12 19.74 2qgi s ALA 240 CO -0.07 -1.23 1.61 -0.07 0.00 0.00 0.00 175.76 176.00 2qgi h LEU 241 N 9.68 0.09 0.00 0.00 3.38 -1.30 -3.48 115.31 123.68 2qgi h LEU 241 Ca -0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qgi h LEU 241 Cb 1.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2qgi h LEU 241 CO 0.98 0.67 0.00 0.61 0.09 0.00 0.00 178.44 180.79 2qgi n GLY 242 N 0.22 -0.68 0.00 0.83 0.00 -1.26 -4.57 105.19 99.72 2qgi n GLY 242 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2qgi n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qgi n GLY 243 N 0.00 -0.91 7.00 -0.02 0.00 -1.26 -0.61 105.19 109.39 2qgi n GLY 243 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2qgi n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qgi n GLY 244 N -0.55 3.15 0.10 -0.02 0.00 -1.26 -2.34 105.19 104.27 2qgi n GLY 244 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2qgi n GLY 244 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2qgi n TRP 245 N 14.00 0.68 0.32 1.61 4.27 -1.26 -2.16 117.44 134.91 2qgi n TRP 245 Ca 0.00 0.25 0.14 0.00 -3.89 0.00 0.00 57.50 54.00 2qgi n TRP 245 Cb 0.00 -0.91 0.60 0.00 -1.36 0.00 0.00 31.31 29.65 2qgi n TRP 245 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 2qgi h TYR 246 N 0.00 0.00 0.00 -2.67 3.20 -1.82 -2.49 116.97 113.19 2qgi h TYR 246 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2qgi h TYR 246 Cb 0.42 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2qgi h TYR 246 CO 0.00 0.00 -0.14 0.93 -1.64 0.00 0.00 178.16 177.31 2qgi h GLU 247 N 0.00 0.00 -6.44 1.82 4.39 -1.57 -3.44 114.58 109.34 2qgi h GLU 247 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 2qgi h GLU 247 Cb 0.30 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2qgi h GLU 247 CO 0.00 0.14 0.75 0.00 -1.16 0.00 0.00 179.01 178.74 2qgi n ALA 248 N -2.14 0.86 1.29 3.43 0.00 -0.94 -5.10 120.51 117.91 2qgi n ALA 248 Ca 0.03 0.45 0.13 0.00 0.00 0.00 0.00 53.44 54.05 2qgi n ALA 248 Cb 0.55 -2.31 0.35 0.00 0.00 0.00 0.00 19.45 18.04 2qgi n ALA 248 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04