#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgi s PRO 3 N 0.00 2.74 -0.39 1.64 0.02 -1.26 -4.98 135.00 132.77 2qgi s PRO 3 Ca 0.00 1.99 -0.10 0.00 0.02 0.00 0.00 61.00 62.91 2qgi s PRO 3 Cb 0.00 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.67 2qgi s PRO 3 CO 0.00 -1.43 0.23 0.08 -0.33 0.00 0.00 177.00 175.54 2qgi s VAL 4 N -1.46 4.40 0.53 3.83 1.01 -1.26 -5.09 120.40 122.37 2qgi s VAL 4 Ca 0.80 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2qgi s VAL 4 Cb -0.35 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 2qgi s VAL 4 CO 0.38 -0.35 0.95 -2.16 0.00 0.00 0.00 175.10 173.92 2qgi s PRO 5 N 1.49 3.78 -0.27 2.72 0.04 -1.26 -5.05 135.00 136.45 2qgi s PRO 5 Ca 0.02 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 2qgi s PRO 5 Cb -0.21 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2qgi s PRO 5 CO 0.05 -0.33 0.39 0.99 0.04 0.00 0.00 177.00 178.13 2qgi s THR 6 N -2.79 5.16 -0.13 1.26 2.01 -1.26 -5.08 115.64 114.82 2qgi s THR 6 Ca 0.56 0.56 -0.25 0.00 0.31 0.00 0.00 61.69 62.87 2qgi s THR 6 Cb -0.10 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2qgi s THR 6 CO 0.40 0.13 0.80 -0.31 -0.69 0.00 0.00 174.62 174.95 2qgi s TYR 7 N 2.10 3.48 -0.19 4.92 2.02 -1.26 -5.05 117.35 123.37 2qgi s TYR 7 Ca 0.15 1.28 -0.05 0.00 -0.37 0.00 0.00 57.07 58.08 2qgi s TYR 7 Cb -0.16 -2.96 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2qgi s TYR 7 CO 0.10 -0.13 -0.00 0.08 -1.57 0.00 0.00 175.55 174.03 2qgi s VAL 8 N 1.67 4.00 0.31 0.71 1.01 -1.26 -5.10 120.40 121.74 2qgi s VAL 8 Ca 0.39 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2qgi s VAL 8 Cb -0.17 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 2qgi s VAL 8 CO 0.15 0.44 0.46 -1.10 0.00 0.00 0.00 175.10 175.05 2qgi s GLN 9 N 0.86 3.31 -1.29 2.72 -1.52 -1.26 -5.03 119.66 117.45 2qgi s GLN 9 Ca 0.01 -0.73 -0.16 0.00 -1.95 0.00 0.00 55.36 52.53 2qgi s GLN 9 Cb -0.14 -2.79 0.10 0.00 -0.22 0.00 0.00 33.01 29.96 2qgi s GLN 9 CO 0.02 0.19 1.72 -3.47 -0.25 0.00 0.00 175.29 173.49 2qgi n ASP 10 N -1.63 4.91 -3.81 5.90 2.03 -1.26 -4.91 116.55 117.79 2qgi n ASP 10 Ca -0.04 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.20 2qgi n ASP 10 Cb 0.57 -1.67 -0.11 0.00 -0.72 0.00 0.00 41.12 39.19 2qgi n ASP 10 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2qgi s LYS 11 N 3.08 0.37 -0.51 -0.67 2.20 -1.26 -5.10 119.74 117.84 2qgi s LYS 11 Ca 0.49 0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 56.00 2qgi s LYS 11 Cb 0.04 0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.59 2qgi s LYS 11 CO 0.03 -0.07 0.60 0.34 -0.36 0.00 0.00 175.35 175.90 2qgi s ASP 12 N -0.41 6.21 0.00 1.43 2.15 -1.26 -4.88 116.67 119.91 2qgi s ASP 12 Ca -0.05 -1.01 0.23 0.00 0.43 0.00 0.00 52.55 52.15 2qgi s ASP 12 Cb -0.03 -2.28 0.49 0.00 -0.30 0.00 0.00 42.92 40.80 2qgi s ASP 12 CO 0.01 -0.88 1.45 -0.62 -0.17 0.00 0.00 175.17 174.96 2qgi n GLU 13 N 6.06 2.59 -1.63 4.34 1.02 -1.26 -4.95 120.64 126.81 2qgi n GLU 13 Ca -0.08 -2.42 -0.40 0.00 -0.02 0.00 0.00 57.16 54.25 2qgi n GLU 13 Cb 0.45 -1.54 0.03 0.00 -0.02 0.00 0.00 31.44 30.36 2qgi n GLU 13 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2qgi n SER 14 N 1.57 1.36 -0.03 1.62 3.41 -1.26 -4.93 113.62 115.36 2qgi n SER 14 Ca 0.21 0.95 -0.00 0.00 -0.26 0.00 0.00 58.87 59.77 2qgi n SER 14 Cb 0.62 -1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.09 2qgi n SER 14 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2qgi n THR 15 N -0.95 0.33 -2.92 6.66 -2.24 -1.26 -4.96 114.28 108.94 2qgi n THR 15 Ca 0.11 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 2qgi n THR 15 Cb 0.43 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 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 -4.20 4.58 0.07 3.22 1.43 -1.26 -4.91 118.68 117.61 2qgi s LEU 16 Ca -0.04 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.60 2qgi s LEU 16 Cb 0.04 -3.37 -0.16 0.00 0.03 0.00 0.00 46.19 42.73 2qgi s LEU 16 CO 0.37 0.16 1.28 -0.03 0.23 0.00 0.00 176.35 178.35 2qgi h MET 17 N 4.55 0.65 -5.15 1.70 1.85 -1.48 -0.87 114.93 116.19 2qgi h MET 17 Ca -0.46 -0.51 -0.45 0.00 -0.61 0.00 0.00 59.70 57.66 2qgi h MET 17 Cb 1.21 0.10 -0.28 0.00 0.43 0.00 0.00 31.60 33.05 2qgi h MET 17 CO 0.67 1.13 -0.80 -0.06 -0.40 0.00 0.00 176.91 177.46 2qgi s PHE 18 N -3.77 1.13 -0.29 1.39 0.08 -0.70 -1.12 117.98 114.69 2qgi s PHE 18 Ca -0.12 -0.24 -0.07 0.00 0.12 0.00 0.00 56.93 56.62 2qgi s PHE 18 Cb 0.07 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.81 2qgi s PHE 18 CO 0.86 -0.01 0.09 -1.12 -0.10 0.00 0.00 175.22 174.94 2qgi s SER 19 N -0.46 5.19 -0.45 1.36 0.01 -0.16 -1.67 113.70 117.53 2qgi s SER 19 Ca 0.04 -0.64 -0.14 0.00 1.31 0.00 0.00 55.95 56.51 2qgi s SER 19 Cb -0.05 -1.90 0.06 0.00 0.21 0.00 0.00 66.02 64.33 2qgi s SER 19 CO -0.00 -0.18 0.34 -0.69 0.41 0.00 0.00 173.24 173.12 2qgi s VAL 20 N 1.53 5.06 -0.14 3.43 1.01 0.50 -0.75 120.40 131.04 2qgi s VAL 20 Ca 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2qgi s VAL 20 Cb -0.17 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2qgi s VAL 20 CO 0.03 -0.49 0.01 0.00 0.00 0.00 0.00 175.10 174.65 2qgi s SER 22 N -0.04 1.71 -0.49 0.00 0.01 -0.20 -0.76 113.70 113.93 2qgi s SER 22 Ca 0.04 -0.76 -0.18 0.00 1.31 0.00 0.00 55.95 56.37 2qgi s SER 22 Cb -0.13 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.13 2qgi s SER 22 CO 0.02 -0.17 0.53 -0.22 0.41 0.00 0.00 173.24 173.81 2qgi s LEU 23 N -2.25 5.24 -0.18 2.44 2.96 -1.08 -0.80 118.68 125.01 2qgi s LEU 23 Ca 0.05 -1.08 -0.03 0.00 -0.22 0.00 0.00 54.13 52.84 2qgi s LEU 23 Cb -0.06 -2.34 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2qgi s LEU 23 CO 0.02 -0.79 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.51 2qgi s VAL 24 N 2.22 3.53 -0.02 1.68 1.01 -0.70 -3.67 120.40 124.46 2qgi s VAL 24 Ca 0.11 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2qgi s VAL 24 Cb -0.21 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2qgi s VAL 24 CO 0.10 0.46 -0.01 -1.14 0.00 0.00 0.00 175.10 174.51 2qgi n ARG 25 N 4.10 1.66 -3.89 2.72 0.00 -1.26 -0.18 116.66 119.82 2qgi n ARG 25 Ca -0.18 0.01 -0.35 0.00 -0.00 0.00 0.00 57.85 57.33 2qgi n ARG 25 Cb 0.52 -1.06 -0.14 0.00 0.00 0.00 0.00 32.46 31.79 2qgi n ARG 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qgi s ASP 26 N -3.82 4.94 0.31 6.15 -1.08 -1.26 -4.44 116.67 117.48 2qgi s ASP 26 Ca -0.03 -1.25 0.01 0.00 -0.52 0.00 0.00 52.55 50.77 2qgi s ASP 26 Cb 0.01 -1.73 0.56 0.00 -1.46 0.00 0.00 42.92 40.30 2qgi s ASP 26 CO 0.07 -0.27 1.92 -0.61 0.52 0.00 0.00 175.17 176.80 2qgi h GLN 27 N 8.03 0.96 -0.42 4.34 5.75 -1.97 -1.71 115.11 130.09 2qgi h GLN 27 Ca -0.21 -0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.13 2qgi h GLN 27 Cb 1.06 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2qgi h GLN 27 CO 0.54 0.63 -0.11 0.00 -2.65 0.00 0.00 178.83 177.24 2qgi h ALA 28 N 1.52 0.57 -0.48 3.38 0.00 -1.99 0.11 119.26 122.37 2qgi h ALA 28 Ca 0.38 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qgi h ALA 28 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qgi h ALA 28 CO -0.14 0.46 0.12 0.87 0.00 0.00 0.00 179.25 180.56 2qgi h LYS 29 N 0.63 0.76 -0.45 0.00 1.57 -1.78 -2.30 116.57 115.01 2qgi h LYS 29 Ca 0.10 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 2qgi h LYS 29 Cb 0.65 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2qgi h LYS 29 CO 0.04 0.75 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.68 2qgi h TYR 30 N 0.65 0.84 -0.30 -1.35 3.20 -1.03 -1.04 116.97 117.95 2qgi h TYR 30 Ca 0.15 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 2qgi h TYR 30 Cb 0.32 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2qgi h TYR 30 CO 0.02 0.81 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.82 2qgi h ASP 31 N 0.71 0.48 -0.53 -2.11 3.32 -0.60 0.03 116.42 117.72 2qgi h ASP 31 Ca 0.13 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2qgi h ASP 31 Cb 0.53 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2qgi h ASP 31 CO 0.03 0.61 0.30 -0.09 -1.72 0.00 0.00 179.24 178.38 2qgi h ARG 32 N 0.46 0.72 0.03 3.56 2.43 -0.96 -0.89 114.38 119.74 2qgi h ARG 32 Ca 0.09 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2qgi h ARG 32 Cb 0.45 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2qgi h ARG 32 CO 0.02 0.55 -0.02 1.25 -1.51 0.00 0.00 179.97 180.27 2qgi h LEU 33 N 0.70 -0.04 -0.69 3.80 6.46 -0.35 -1.50 115.31 123.70 2qgi h LEU 33 Ca 0.19 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2qgi h LEU 33 Cb 0.02 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 2qgi h LEU 33 CO -0.03 0.05 0.38 -0.07 -0.62 0.00 0.00 178.44 178.15 2qgi h LEU 34 N -0.13 0.86 -0.86 2.25 3.38 -0.79 -0.58 115.31 119.43 2qgi h LEU 34 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2qgi h LEU 34 Cb 0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2qgi h LEU 34 CO 0.01 0.71 0.55 -0.08 0.09 0.00 0.00 178.44 179.71 2qgi h GLU 35 N 0.94 1.15 -0.32 1.13 4.22 -1.05 -1.63 114.58 119.03 2qgi h GLU 35 Ca 0.24 -0.09 -0.15 0.00 0.08 0.00 0.00 59.36 59.44 2qgi h GLU 35 Cb 0.04 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2qgi h GLU 35 CO -0.04 0.79 -0.41 0.66 -2.18 0.00 0.00 179.01 177.83 2qgi h SER 36 N 1.18 0.84 -0.41 1.04 4.64 -0.49 -0.98 113.55 119.36 2qgi h SER 36 Ca 0.31 -0.39 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2qgi h SER 36 Cb -0.10 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 2qgi h SER 36 CO -0.06 1.14 0.10 -0.26 -0.87 0.00 0.00 176.83 176.87 2qgi h PHE 37 N 0.64 0.69 -0.37 4.77 -1.00 -0.83 -1.66 116.94 119.17 2qgi h PHE 37 Ca 0.05 -0.08 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 2qgi h PHE 37 Cb 0.97 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 2qgi h PHE 37 CO 0.05 0.66 -0.10 1.49 -1.61 0.00 0.00 178.31 178.79 2qgi h GLU 38 N 0.52 0.64 -0.28 1.51 4.22 -1.15 -0.62 114.58 119.42 2qgi h GLU 38 Ca 0.13 -0.19 -0.07 0.00 0.08 0.00 0.00 59.36 59.30 2qgi h GLU 38 Cb 0.31 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2qgi h GLU 38 CO 0.00 0.73 -0.15 -0.09 -2.18 0.00 0.00 179.01 177.33 2qgi h ARG 39 N 0.59 0.48 -1.00 1.92 2.43 -1.00 -2.46 114.38 115.33 2qgi h ARG 39 Ca 0.11 -0.14 -0.52 0.00 -0.81 0.00 0.00 59.98 58.61 2qgi h ARG 39 Cb 0.53 -0.05 -0.30 0.00 -0.42 0.00 0.00 29.97 29.73 2qgi h ARG 39 CO 0.03 0.62 0.66 1.19 -1.51 0.00 0.00 179.97 180.97 2qgi n PHE 40 N -4.19 3.01 -0.02 2.20 3.72 -0.64 -4.91 117.46 116.62 2qgi n PHE 40 Ca 0.00 -1.93 0.00 0.00 -0.05 0.00 0.00 57.45 55.47 2qgi n PHE 40 Cb 0.34 -0.98 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 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 -1.07 0.57 2.83 1.37 0.00 -0.93 -0.61 105.19 107.35 2qgi n GLY 41 Ca 0.59 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 2.94 -2.50 1.61 3.72 -0.27 -4.75 117.46 116.21 2qgi n PHE 42 Ca 0.00 -2.80 -0.26 0.00 -0.05 0.00 0.00 57.45 54.34 2qgi n PHE 42 Cb 0.00 -1.99 0.03 0.00 -0.94 0.00 0.00 39.48 36.58 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 0.52 3.54 0.64 4.37 -4.23 -1.26 -4.19 115.64 115.03 2qgi s THR 43 Ca 0.41 -0.15 0.36 0.00 -1.18 0.00 0.00 61.69 61.13 2qgi s THR 43 Cb 0.10 -3.39 0.39 0.00 1.34 0.00 0.00 72.50 70.94 2qgi s THR 43 CO -0.01 -0.38 2.22 -0.65 -0.54 0.00 0.00 174.62 175.27 2qgi h PRO 44 N -0.09 0.00 -0.00 3.99 0.11 -1.94 0.22 132.00 134.29 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 0.60 0.00 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.91 2qgi n ASP 45 N -3.36 0.10 -0.02 -2.05 5.75 -1.26 -3.99 116.55 111.72 2qgi n ASP 45 Ca -0.02 0.20 -0.01 0.00 -0.01 0.00 0.00 54.79 54.95 2qgi n ASP 45 Cb 0.18 -0.33 -0.04 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.41 2.10 -3.74 0.11 5.02 0.59 -4.72 118.16 116.11 2qgi n LYS 46 Ca 0.09 -0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 2qgi n LYS 46 Cb 0.32 -1.13 -0.09 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.21 -0.86 0.24 7.82 0.00 -0.16 -1.30 121.76 125.29 2qgi s ALA 47 Ca -0.02 0.44 0.12 0.00 0.00 0.00 0.00 51.96 52.49 2qgi s ALA 47 Cb 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 2qgi s ALA 47 CO 0.21 -0.26 -0.22 -1.83 0.00 0.00 0.00 175.76 173.66 2qgi s GLU 48 N -1.21 1.61 -0.07 0.00 -1.05 -0.67 -4.30 118.70 113.01 2qgi s GLU 48 Ca -0.12 -1.64 0.05 0.00 -0.15 0.00 0.00 54.97 53.10 2qgi s GLU 48 Cb -0.05 -1.82 -0.00 0.00 -0.44 0.00 0.00 34.13 31.82 2qgi s GLU 48 CO 0.04 0.37 -0.22 -0.06 0.95 0.00 0.00 175.26 176.34 2qgi s PHE 49 N -2.08 2.22 0.02 4.83 0.08 -1.26 -0.37 117.98 121.41 2qgi s PHE 49 Ca 0.25 -0.75 0.04 0.00 0.12 0.00 0.00 56.93 56.59 2qgi s PHE 49 Cb -0.06 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 2qgi s PHE 49 CO 0.12 -0.27 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.35 2qgi s LEU 50 N 0.10 2.13 -0.08 -0.37 1.02 0.06 -4.95 118.68 116.59 2qgi s LEU 50 Ca -0.09 -0.36 0.02 0.00 0.02 0.00 0.00 54.13 53.72 2qgi s LEU 50 Cb -0.15 -0.49 0.01 0.00 0.02 0.00 0.00 46.19 45.59 2qgi s LEU 50 CO 0.05 0.03 -0.14 0.00 0.02 0.00 0.00 176.35 176.30 2qgi s ALA 51 N -0.70 1.48 -0.16 4.21 0.00 -1.26 -1.03 121.76 124.30 2qgi s ALA 51 Ca 0.01 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2qgi s ALA 51 Cb -0.07 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2qgi s ALA 51 CO 0.01 0.08 1.31 0.00 0.00 0.00 0.00 175.76 177.15 2qgi s ALA 52 N 0.72 3.65 -0.81 0.00 0.00 0.02 -4.93 121.76 120.41 2qgi s ALA 52 Ca -0.13 0.50 -0.20 0.00 0.00 0.00 0.00 51.96 52.13 2qgi s ALA 52 Cb -0.16 -3.64 0.11 0.00 0.00 0.00 0.00 23.12 19.44 2qgi s ALA 52 CO 0.03 -1.21 1.03 0.34 0.00 0.00 0.00 175.76 175.94 2qgi s ASP 53 N 2.15 6.45 -0.32 0.00 -1.08 -1.26 -1.71 116.67 120.89 2qgi s ASP 53 Ca 0.57 -1.69 0.10 0.00 -0.52 0.00 0.00 52.55 51.01 2qgi s ASP 53 Cb -0.23 -2.39 0.76 0.00 -1.46 0.00 0.00 42.92 39.60 2qgi s ASP 53 CO 0.16 -1.17 1.82 0.59 0.52 0.00 0.00 175.17 177.09 2qgi n ASN 54 N 6.81 4.93 0.07 -0.34 4.13 0.75 -4.53 115.26 127.08 2qgi n ASN 54 Ca 0.12 -3.21 -0.05 0.00 1.68 0.00 0.00 54.58 53.13 2qgi n ASN 54 Cb 0.47 -0.75 0.15 0.00 -1.54 0.00 0.00 39.78 38.11 2qgi n ASN 54 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2qgi h ARG 55 N 2.76 0.29 -0.02 3.52 3.08 -1.69 -3.11 114.38 119.20 2qgi h ARG 55 Ca 0.26 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2qgi h ARG 55 Cb 2.35 0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.42 2qgi h ARG 55 CO 0.75 0.74 -0.19 0.39 -1.07 0.00 0.00 179.97 180.59 2qgi n GLU 56 N -3.94 1.65 0.00 0.04 1.02 -1.26 -4.94 120.64 113.21 2qgi n GLU 56 Ca -0.02 -1.33 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 2qgi n GLU 56 Cb 0.57 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 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 1.20 -0.76 2.87 0.62 0.00 -1.18 -5.02 105.19 102.94 2qgi n GLY 57 Ca 0.10 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 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 4.95 -0.17 1.61 3.02 -1.26 -4.35 115.26 119.07 2qgi n ASN 58 Ca 0.00 -3.08 -0.02 0.00 -0.03 0.00 0.00 54.58 51.46 2qgi n ASN 58 Cb 0.00 -1.50 0.20 0.00 -0.61 0.00 0.00 39.78 37.87 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 5.83 0.91 -5.65 3.52 4.15 -1.89 -3.43 115.11 118.55 2qgi h GLN 59 Ca 0.41 -0.13 -0.50 0.00 0.77 0.00 0.00 58.65 59.20 2qgi h GLN 59 Cb 0.64 -0.16 -0.14 0.00 0.21 0.00 0.00 27.48 28.02 2qgi h GLN 59 CO 1.64 0.73 -0.71 -0.06 -1.93 0.00 0.00 178.83 178.50 2qgi s PHE 60 N -5.46 1.92 0.35 3.99 0.08 -1.26 -5.06 117.98 112.53 2qgi s PHE 60 Ca -0.10 -0.59 0.05 0.00 0.12 0.00 0.00 56.93 56.41 2qgi s PHE 60 Cb 0.16 -0.98 -0.03 0.00 -0.57 0.00 0.00 43.02 41.61 2qgi s PHE 60 CO 0.80 0.39 0.20 -3.38 -0.10 0.00 0.00 175.22 173.13 2qgi s HIS 61 N -2.91 1.71 0.55 0.36 -3.43 -1.26 -4.97 115.29 105.34 2qgi s HIS 61 Ca 0.27 -1.49 0.22 0.00 -0.80 0.00 0.00 55.06 53.26 2qgi s HIS 61 Cb 0.01 -0.87 1.47 0.00 -1.43 0.00 0.00 32.58 31.76 2qgi s HIS 61 CO 0.10 -0.62 2.16 0.78 -2.00 0.00 0.00 174.74 175.17 2qgi h GLY 62 N 2.06 0.00 0.89 -1.38 0.00 -1.14 -2.10 103.07 101.40 2qgi h GLY 62 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2qgi h GLY 62 CO 0.46 0.00 -0.60 0.69 0.00 0.00 0.00 176.54 177.09 2qgi n PHE 63 N -4.26 0.07 -0.02 5.60 3.72 -1.26 -4.42 117.46 116.89 2qgi n PHE 63 Ca -0.02 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2qgi n PHE 63 Cb 0.15 -0.28 -0.05 0.00 -0.94 0.00 0.00 39.48 38.37 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 -1.59 3.48 -0.17 4.37 3.41 -0.97 -4.61 113.62 117.54 2qgi n SER 64 Ca 0.05 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.70 2qgi n SER 64 Cb 0.35 0.98 0.33 0.00 -0.26 0.00 0.00 64.21 65.62 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 0.78 -0.24 7.33 5.08 -1.60 -2.60 115.95 124.70 2qgi h TRP 65 Ca -0.08 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 59.86 2qgi h TRP 65 Cb 0.84 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.73 2qgi h TRP 65 CO 0.00 0.44 -0.06 0.45 -1.28 0.00 0.00 178.44 177.99 2qgi h HIS 66 N 0.80 0.39 -0.31 0.12 3.86 -1.86 -2.66 115.15 115.49 2qgi h HIS 66 Ca 0.28 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2qgi h HIS 66 Cb 0.12 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 2qgi h HIS 66 CO -0.00 0.44 0.21 0.87 0.86 0.00 0.00 177.93 180.31 2qgi h LYS 67 N 0.36 0.36 0.00 2.45 1.57 -1.80 0.77 116.57 120.28 2qgi h LYS 67 Ca 0.08 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 2qgi h LYS 67 Cb 0.34 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2qgi h LYS 67 CO 0.02 0.24 -0.98 1.96 -0.57 0.00 0.00 179.45 180.11 2qgi h GLN 68 N 0.37 0.00 0.12 3.15 1.08 -1.64 -3.40 115.11 114.80 2qgi h GLN 68 Ca 0.12 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.15 2qgi h GLN 68 Cb 0.03 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2qgi h GLN 68 CO -0.03 0.71 -0.75 0.52 -0.95 0.00 0.00 178.83 178.34 2qgi h MET 69 N 0.00 0.29 -0.57 1.46 2.86 -1.01 -3.38 114.93 114.58 2qgi h MET 69 Ca -0.06 -0.48 0.12 0.00 -2.06 0.00 0.00 59.70 57.22 2qgi h MET 69 Cb 1.67 0.17 -0.10 0.00 0.06 0.00 0.00 31.60 33.40 2qgi h MET 69 CO 0.10 1.22 -0.02 -0.07 1.06 0.00 0.00 176.91 179.19 2qgi h LEU 70 N -0.38 -0.30 -2.87 1.22 3.38 -1.08 -0.99 115.31 114.29 2qgi h LEU 70 Ca -0.13 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2qgi h LEU 70 Cb 1.58 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2qgi h LEU 70 CO 0.14 -0.11 0.00 -0.65 0.09 0.00 0.00 178.44 177.91 2qgi h PRO 71 N 0.10 0.00 -0.01 1.13 0.11 -1.78 -1.77 132.00 129.78 2qgi h PRO 71 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 2qgi h PRO 71 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2qgi h PRO 71 CO -0.50 0.00 -0.56 0.54 -0.21 0.00 0.00 178.00 177.27 2qgi n ARG 72 N -3.05 0.49 -2.99 1.05 1.74 -0.39 -4.94 116.66 108.58 2qgi n ARG 72 Ca -0.03 -0.35 -0.37 0.00 -0.77 0.00 0.00 57.85 56.32 2qgi n ARG 72 Cb 0.08 -1.49 -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 0.95 3.46 -1.96 0.00 4.76 -1.26 -5.05 118.16 119.06 2qgi n LYS 74 Ca -0.02 -0.23 -0.30 0.00 -2.87 0.00 0.00 58.31 54.88 2qgi n LYS 74 Cb 0.50 -0.74 0.03 0.00 -1.84 0.00 0.00 35.03 32.99 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 -0.62 1.63 0.10 0.72 0.00 -1.26 -4.46 107.32 103.43 2qgi s GLY 75 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.24 2qgi s GLY 75 CO 0.02 0.01 1.54 -0.09 0.00 0.00 0.00 173.10 174.58 2qgi h ARG 76 N -0.49 0.53 -6.43 2.90 2.43 -0.81 -3.41 114.38 109.11 2qgi h ARG 76 Ca -0.45 -0.17 -0.69 0.00 -0.81 0.00 0.00 59.98 57.87 2qgi h ARG 76 Cb 1.23 -0.05 -0.22 0.00 -0.42 0.00 0.00 29.97 30.52 2qgi h ARG 76 CO 0.63 0.67 -0.78 0.71 -1.51 0.00 0.00 179.97 179.70 2qgi s TYR 77 N -4.99 2.66 -0.21 2.20 2.02 -0.28 -1.01 117.35 117.74 2qgi s TYR 77 Ca -0.13 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.36 2qgi s TYR 77 Cb 0.08 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.09 2qgi s TYR 77 CO 0.76 0.23 -0.09 0.08 -1.57 0.00 0.00 175.55 174.96 2qgi s VAL 78 N -0.84 2.93 -0.09 0.71 1.01 0.93 -0.99 120.40 124.07 2qgi s VAL 78 Ca 0.14 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 2qgi s VAL 78 Cb -0.11 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2qgi s VAL 78 CO 0.03 0.45 0.35 -0.63 0.00 0.00 0.00 175.10 175.30 2qgi s ILE 79 N 1.41 5.20 -0.29 2.22 1.01 0.07 -1.44 121.20 129.39 2qgi s ILE 79 Ca 0.05 0.69 0.01 0.00 0.00 0.00 0.00 60.65 61.40 2qgi s ILE 79 Cb -0.14 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.73 2qgi s ILE 79 CO -0.06 0.48 -0.04 -0.36 0.00 0.00 0.00 174.94 174.96 2qgi s PHE 80 N -0.29 3.32 0.16 3.97 0.08 0.23 -0.01 117.98 125.44 2qgi s PHE 80 Ca 0.21 -2.20 0.03 0.00 0.12 0.00 0.00 56.93 55.09 2qgi s PHE 80 Cb -0.15 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 2qgi s PHE 80 CO 0.09 -0.86 -0.05 0.00 -0.10 0.00 0.00 175.22 174.30 2qgi s HIS 82 N -3.48 2.70 -0.64 0.00 3.76 0.03 -2.63 115.29 115.04 2qgi s HIS 82 Ca 0.20 1.29 0.22 0.00 -0.15 0.00 0.00 55.06 56.62 2qgi s HIS 82 Cb 0.04 -3.08 0.89 0.00 1.11 0.00 0.00 32.58 31.55 2qgi s HIS 82 CO 0.02 -1.85 1.67 -0.85 -0.85 0.00 0.00 174.74 172.89 2qgi n GLU 83 N -3.51 0.15 -1.10 1.40 0.28 -1.24 -3.48 120.64 113.13 2qgi n GLU 83 Ca 0.07 0.34 -0.13 0.00 -0.16 0.00 0.00 57.16 57.29 2qgi n GLU 83 Cb 0.55 -1.77 0.15 0.00 1.43 0.00 0.00 31.44 31.81 2qgi n GLU 83 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2qgi n ASP 84 N -2.05 3.54 -4.87 -1.84 5.75 -1.26 -3.70 116.55 112.11 2qgi n ASP 84 Ca 0.03 -3.78 -0.22 0.00 -0.01 0.00 0.00 54.79 50.81 2qgi n ASP 84 Cb 0.24 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 39.65 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 -3.66 4.76 -0.14 2.12 -7.23 -1.23 -1.21 120.40 113.80 2qgi s VAL 85 Ca 0.49 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 2qgi s VAL 85 Cb 0.43 -3.55 0.04 0.00 0.56 0.00 0.00 36.38 33.86 2qgi s VAL 85 CO 0.01 -0.30 0.37 -0.70 -0.31 0.00 0.00 175.10 174.17 2qgi s GLU 86 N -3.75 0.39 0.27 4.82 2.12 0.27 -4.31 118.70 118.51 2qgi s GLU 86 Ca 0.33 0.60 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 2qgi s GLU 86 Cb -0.09 0.09 -0.09 0.00 0.26 0.00 0.00 34.13 34.30 2qgi s GLU 86 CO 0.26 -0.10 1.00 -0.51 -0.54 0.00 0.00 175.26 175.38 2qgi s LEU 87 N 0.72 4.55 0.00 2.70 1.43 -1.26 -1.15 118.68 125.67 2qgi s LEU 87 Ca -0.04 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2qgi s LEU 87 Cb -0.05 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.47 2qgi s LEU 87 CO -0.05 -0.01 0.00 1.33 0.23 0.00 0.00 176.35 177.85 2qgi n VAL 88 N 1.19 0.00 0.22 -1.59 0.24 -1.26 -4.82 118.33 112.30 2qgi n VAL 88 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2qgi n VAL 88 Cb 0.47 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.53 -3.29 -4.77 -1.34 5.68 -1.26 -5.11 116.55 105.93 2qgi n ASP 89 Ca 0.00 0.83 -0.38 0.00 -0.50 0.00 0.00 54.79 54.73 2qgi n ASP 89 Cb 0.01 3.10 -0.02 0.00 -1.14 0.00 0.00 41.12 43.07 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 -2.00 4.09 0.00 0.11 1.81 -1.26 -5.01 118.95 116.70 2qgi s ARG 90 Ca 0.00 1.83 0.00 0.00 -1.72 0.00 0.00 55.73 55.84 2qgi s ARG 90 Cb 0.00 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.80 2qgi s ARG 90 CO 0.00 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.75 2qgi n GLY 91 N 0.64 5.31 0.25 -3.53 0.00 -1.26 -4.91 105.19 101.69 2qgi n GLY 91 Ca 0.04 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.55 -0.37 1.61 3.20 -1.15 -0.34 116.97 119.37 2qgi h TYR 92 Ca 0.00 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2qgi h TYR 92 Cb 0.00 0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2qgi h TYR 92 CO 0.00 -0.29 -0.05 -0.44 -1.64 0.00 0.00 178.16 175.74 2qgi h ASP 93 N -0.19 0.59 -0.50 -2.11 3.32 -1.92 -0.93 116.42 114.67 2qgi h ASP 93 Ca 0.15 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2qgi h ASP 93 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 2qgi h ASP 93 CO -0.39 0.69 0.26 0.44 -1.72 0.00 0.00 179.24 178.52 2qgi h ASP 94 N 0.57 0.64 -0.37 6.45 3.32 -1.63 -0.45 116.42 124.95 2qgi h ASP 94 Ca 0.11 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2qgi h ASP 94 Cb 0.45 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2qgi h ASP 94 CO 0.02 0.57 0.01 0.25 -1.72 0.00 0.00 179.24 178.37 2qgi h LEU 95 N 0.67 0.63 -0.50 1.55 5.85 -0.53 -0.93 115.31 122.05 2qgi h LEU 95 Ca 0.17 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2qgi h LEU 95 Cb 0.08 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2qgi h LEU 95 CO -0.03 0.78 0.29 0.58 -0.34 0.00 0.00 178.44 179.73 2qgi h VAL 96 N 0.46 1.04 -0.54 1.05 2.07 -1.08 -0.77 116.25 118.49 2qgi h VAL 96 Ca 0.10 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2qgi h VAL 96 Cb 0.45 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2qgi h VAL 96 CO 0.02 0.11 0.12 0.00 0.02 0.00 0.00 177.57 177.83 2qgi h ALA 97 N 1.22 1.19 -0.30 1.67 0.00 -0.92 -0.02 119.26 122.11 2qgi h ALA 97 Ca 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2qgi h ALA 97 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qgi h ALA 97 CO -0.09 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.75 2qgi h ALA 98 N 1.33 0.40 -0.30 0.00 0.00 -0.59 -0.25 119.26 119.83 2qgi h ALA 98 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2qgi h ALA 98 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qgi h ALA 98 CO 0.00 0.09 -0.07 0.82 0.00 0.00 0.00 179.25 180.10 2qgi h ILE 99 N 0.32 1.28 -0.40 0.00 2.04 -0.81 -1.19 117.51 118.75 2qgi h ILE 99 Ca 0.09 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 2qgi h ILE 99 Cb 0.35 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2qgi h ILE 99 CO 0.01 0.35 0.06 -0.33 0.00 0.00 0.00 178.15 178.24 2qgi h GLU 100 N 0.35 0.61 -0.51 2.37 5.08 -0.93 -0.64 114.58 120.91 2qgi h GLU 100 Ca 0.08 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 2qgi h GLU 100 Cb 0.55 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2qgi h GLU 100 CO 0.03 0.59 -0.04 0.00 -1.00 0.00 0.00 179.01 178.59 2qgi h ALA 101 N 1.48 0.98 -0.36 3.43 0.00 -0.87 -2.14 119.26 121.77 2qgi h ALA 101 Ca 0.13 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2qgi h ALA 101 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qgi h ALA 101 CO 0.00 0.62 -0.36 1.25 0.00 0.00 0.00 179.25 180.76 2qgi h LEU 102 N 0.81 0.89 -1.66 0.00 5.85 -0.33 -0.17 115.31 120.69 2qgi h LEU 102 Ca 0.15 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2qgi h LEU 102 Cb 0.53 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2qgi h LEU 102 CO 0.03 1.15 0.30 -0.08 -0.34 0.00 0.00 178.44 179.50 2qgi h GLU 103 N 0.69 0.42 0.20 1.25 4.57 -0.90 0.18 114.58 120.99 2qgi h GLU 103 Ca 0.06 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 57.90 2qgi h GLU 103 Cb 0.92 -0.09 0.03 0.00 -0.16 0.00 0.00 28.75 29.45 2qgi h GLU 103 CO 0.08 0.28 -1.38 0.93 -1.18 0.00 0.00 179.01 177.74 2qgi h GLU 104 N 0.43 0.58 -0.24 1.92 4.39 -0.87 -3.05 114.58 117.74 2qgi h GLU 104 Ca 0.19 -0.89 -0.19 0.00 0.34 0.00 0.00 59.36 58.81 2qgi h GLU 104 Cb 0.21 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2qgi h GLU 104 CO -0.05 1.42 -0.59 0.00 -1.16 0.00 0.00 179.01 178.63 2qgi h ALA 105 N 0.22 0.40 -1.57 3.43 0.00 -0.31 -3.42 119.26 118.01 2qgi h ALA 105 Ca -0.23 -0.53 -0.27 0.00 0.00 0.00 0.00 54.91 53.89 2qgi h ALA 105 Cb 2.06 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 19.54 2qgi h ALA 105 CO 0.26 0.65 -0.61 0.34 0.00 0.00 0.00 179.25 179.88 2qgi s ASP 106 N -6.96 0.04 0.00 0.00 -1.08 0.58 -5.00 116.67 104.25 2qgi s ASP 106 Ca -0.11 -1.48 0.12 0.00 -0.52 0.00 0.00 52.55 50.56 2qgi s ASP 106 Cb 0.09 1.08 0.63 0.00 -1.46 0.00 0.00 42.92 43.26 2qgi s ASP 106 CO 0.89 -0.20 1.27 -0.81 0.52 0.00 0.00 175.17 176.84 2qgi n PRO 107 N 4.02 0.20 0.00 4.34 -0.04 -1.15 -1.77 135.00 140.61 2qgi n PRO 107 Ca 0.13 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 2qgi n PRO 107 Cb 0.50 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.17 2qgi n PRO 107 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2qgi n LYS 108 N -1.24 0.26 -1.71 0.54 5.02 -1.26 -4.89 118.16 114.88 2qgi n LYS 108 Ca 0.06 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.96 2qgi n LYS 108 Cb 0.09 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.63 2qgi n LYS 108 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2qgi n TRP 109 N -1.37 2.08 0.00 2.13 4.27 -0.73 -1.50 117.44 122.32 2qgi n TRP 109 Ca 0.11 0.45 0.00 0.00 -3.89 0.00 0.00 57.50 54.18 2qgi n TRP 109 Cb 0.28 -2.34 0.00 0.00 -1.36 0.00 0.00 31.31 27.88 2qgi n TRP 109 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2qgi n LEU 110 N -0.57 0.75 -4.13 5.67 4.77 0.95 -4.74 117.00 119.70 2qgi n LEU 110 Ca 0.09 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 2qgi n LEU 110 Cb 0.43 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 2qgi n LEU 110 CO 0.55 0.12 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.57 2qgi s VAL 111 N -1.72 1.15 0.04 4.08 1.01 -1.04 -4.24 120.40 119.68 2qgi s VAL 111 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2qgi s VAL 111 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2qgi s VAL 111 CO 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 175.10 175.21 2qgi s ALA 112 N -0.52 0.86 0.04 5.51 0.00 -0.33 -1.39 121.76 125.93 2qgi s ALA 112 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2qgi s ALA 112 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2qgi s ALA 112 CO 0.00 0.11 0.05 0.41 0.00 0.00 0.00 175.76 176.33 2qgi n GLY 113 N 1.77 3.28 0.08 0.00 0.00 0.09 -0.52 105.19 109.88 2qgi n GLY 113 Ca -0.20 -1.48 0.06 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.07 0.00 -3.65 1.61 0.24 -1.24 -0.40 118.33 114.82 2qgi n VAL 114 Ca 0.00 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.34 61.96 2qgi n VAL 114 Cb 0.06 1.04 -0.08 0.00 -1.47 0.00 0.00 33.84 33.40 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 -2.08 -1.64 0.00 2.33 0.00 -1.26 -2.94 121.76 116.17 2qgi s ALA 115 Ca 0.07 2.03 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2qgi s ALA 115 Cb 0.10 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2qgi s ALA 115 CO 0.48 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2qgi n GLY 116 N 3.55 1.35 3.23 0.00 0.00 -0.27 -0.19 105.19 112.86 2qgi n GLY 116 Ca -0.17 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 0.96 3.10 0.41 1.61 0.01 -0.78 -0.52 113.70 118.48 2qgi s SER 117 Ca 0.00 -0.55 -0.23 0.00 1.31 0.00 0.00 55.95 56.48 2qgi s SER 117 Cb 0.00 -1.32 -0.13 0.00 0.21 0.00 0.00 66.02 64.79 2qgi s SER 117 CO 0.00 0.17 0.61 -2.65 0.41 0.00 0.00 173.24 171.78 2qgi n PRO 118 N 3.42 0.65 -2.08 12.44 -0.02 -1.26 -0.62 135.00 147.54 2qgi n PRO 118 Ca -0.19 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 2qgi n PRO 118 Cb 0.53 -1.56 -0.03 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.42 3.10 -0.87 6.00 -0.00 -0.45 -3.82 118.94 121.49 2qgi s TRP 119 Ca 0.63 0.80 -0.04 0.00 -0.00 0.00 0.00 56.10 57.48 2qgi s TRP 119 Cb -0.61 -3.78 0.00 0.00 -0.00 0.00 0.00 33.47 29.08 2qgi s TRP 119 CO 0.58 -2.82 0.64 0.54 -0.00 0.00 0.00 176.95 175.88 2qgi n ARG 120 N 4.16 -1.37 -1.82 5.86 1.74 -1.26 -4.90 116.66 119.07 2qgi n ARG 120 Ca 0.13 0.79 -0.40 0.00 -0.77 0.00 0.00 57.85 57.60 2qgi n ARG 120 Cb 0.41 -2.94 0.02 0.00 -1.02 0.00 0.00 32.46 28.92 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 -4.92 3.66 0.11 5.56 0.02 -1.25 -4.92 135.00 133.25 2qgi s PRO 121 Ca 0.07 2.38 -0.10 0.00 0.02 0.00 0.00 61.00 63.37 2qgi s PRO 121 Cb -0.03 -2.63 -0.14 0.00 0.02 0.00 0.00 34.50 31.72 2qgi s PRO 121 CO 0.88 -0.82 1.28 -0.07 -0.33 0.00 0.00 177.00 177.94 2qgi h LEU 122 N 2.27 0.77 -8.15 -5.54 3.38 -1.96 -3.43 115.31 102.65 2qgi h LEU 122 Ca -0.51 -0.57 -0.75 0.00 0.09 0.00 0.00 57.88 56.14 2qgi h LEU 122 Cb 1.27 -0.23 -0.24 0.00 0.09 0.00 0.00 40.66 41.55 2qgi h LEU 122 CO 0.61 1.37 -0.26 0.21 0.09 0.00 0.00 178.44 180.45 2qgi s ASN 123 N -7.15 6.16 0.00 -0.43 3.84 -1.26 -4.89 114.94 111.21 2qgi s ASN 123 Ca -0.08 -1.65 0.16 0.00 0.21 0.00 0.00 52.86 51.50 2qgi s ASN 123 Cb 0.08 -2.20 0.64 0.00 -0.55 0.00 0.00 41.25 39.22 2qgi s ASN 123 CO 0.89 -0.79 1.45 1.41 -2.79 0.00 0.00 177.10 177.28 2qgi n HIS 124 N 5.23 0.22 1.12 0.43 8.25 -1.26 -3.78 115.22 125.42 2qgi n HIS 124 Ca -0.13 -0.11 0.14 0.00 -0.26 0.00 0.00 57.72 57.35 2qgi n HIS 124 Cb 0.41 0.00 0.53 0.00 1.12 0.00 0.00 29.99 32.06 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 0.10 0.23 -3.99 0.41 3.41 -1.26 -4.83 113.62 107.68 2qgi n SER 125 Ca 0.13 0.02 -0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2qgi n SER 125 Cb 0.24 -0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.85 0.18 -0.13 -3.33 -7.23 -1.25 -5.13 120.40 100.66 2qgi s VAL 126 Ca 0.18 -1.45 -0.25 0.00 -1.81 0.00 0.00 61.98 58.65 2qgi s VAL 126 Cb 0.19 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 2qgi s VAL 126 CO 0.56 -0.80 0.78 -0.89 -0.31 0.00 0.00 175.10 174.44 2qgi s THR 127 N -3.48 4.94 0.07 5.32 2.01 -1.26 -4.96 115.64 118.29 2qgi s THR 127 Ca 0.03 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.28 2qgi s THR 127 Cb 0.04 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2qgi s THR 127 CO -0.09 0.11 1.09 0.00 -0.69 0.00 0.00 174.62 175.04 2qgi s ALA 128 N 1.67 3.30 0.01 7.40 0.00 -1.26 -5.04 121.76 127.84 2qgi s ALA 128 Ca 0.38 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.08 2qgi s ALA 128 Cb -0.17 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2qgi s ALA 128 CO 0.15 -0.28 -0.07 -0.65 0.00 0.00 0.00 175.76 174.91 2qgi s GLN 129 N 0.65 0.51 -0.13 0.00 -0.21 -1.26 -4.38 119.66 114.83 2qgi s GLN 129 Ca 0.54 -0.43 -0.04 0.00 0.02 0.00 0.00 55.36 55.45 2qgi s GLN 129 Cb -0.26 -0.42 0.06 0.00 1.00 0.00 0.00 33.01 33.39 2qgi s GLN 129 CO 0.30 0.10 0.13 0.00 -2.12 0.00 0.00 175.29 173.71 2qgi s ALA 130 N -0.61 0.08 0.19 6.09 0.00 0.32 -3.57 121.76 124.26 2qgi s ALA 130 Ca -0.02 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 2qgi s ALA 130 Cb -0.05 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.15 2qgi s ALA 130 CO 0.00 -0.91 0.82 -0.48 0.00 0.00 0.00 175.76 175.19 2qgi s LEU 131 N 2.23 -0.28 -0.17 0.00 0.05 -0.20 -1.11 118.68 119.20 2qgi s LEU 131 Ca 0.04 -0.39 -0.05 0.00 0.05 0.00 0.00 54.13 53.77 2qgi s LEU 131 Cb -0.14 2.42 0.08 0.00 -2.05 0.00 0.00 46.19 46.50 2qgi s LEU 131 CO -0.08 -1.05 0.33 -2.28 -0.55 0.00 0.00 176.35 172.72 2qgi s HIS 132 N -3.57 -0.60 0.12 3.48 2.46 -1.15 -1.74 115.29 114.28 2qgi s HIS 132 Ca 0.10 1.15 -0.26 0.00 0.47 0.00 0.00 55.06 56.52 2qgi s HIS 132 Cb -0.03 0.09 0.07 0.00 -0.13 0.00 0.00 32.58 32.58 2qgi s HIS 132 CO 0.01 -0.45 0.90 -1.50 -2.47 0.00 0.00 174.74 171.23 2qgi s ILE 133 N 2.51 0.00 -0.16 0.89 2.07 -0.55 -4.48 121.20 121.48 2qgi s ILE 133 Ca 0.01 -0.46 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 2qgi s ILE 133 Cb -0.12 -1.65 -0.01 0.00 0.13 0.00 0.00 42.46 40.80 2qgi s ILE 133 CO -0.11 0.00 -0.10 -0.44 -1.91 0.00 0.00 174.94 172.38 2qgi s SER 134 N -2.80 4.14 0.00 4.50 0.01 -0.42 -0.93 113.70 118.21 2qgi s SER 134 Ca 0.09 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2qgi s SER 134 Cb -0.02 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2qgi s SER 134 CO -0.02 0.11 0.00 -0.90 0.41 0.00 0.00 173.24 172.85 2qgi n ASP 135 N 3.89 0.00 0.14 2.44 5.68 -0.43 -0.69 116.55 127.57 2qgi n ASP 135 Ca -0.18 -0.55 0.12 0.00 -0.50 0.00 0.00 54.79 53.68 2qgi n ASP 135 Cb 0.52 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.01 2qgi n ASP 135 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2qgi n VAL 136 N 0.00 0.85 1.24 2.12 0.24 -1.26 -1.27 118.33 120.26 2qgi n VAL 136 Ca 0.00 0.29 0.13 0.00 -2.04 0.00 0.00 64.34 62.72 2qgi n VAL 136 Cb 0.00 -1.23 0.41 0.00 -1.47 0.00 0.00 33.84 31.54 2qgi n VAL 136 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2qgi n PHE 137 N -2.25 0.00 0.00 6.34 3.72 -1.26 -4.99 117.46 119.02 2qgi n PHE 137 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2qgi n PHE 137 Cb 0.21 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 1.35 3.97 3.81 1.37 0.00 -0.39 -5.07 105.19 110.22 2qgi n GLY 138 Ca 0.12 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 7.13 -1.07 1.61 0.01 -1.26 -1.32 114.94 120.05 2qgi s ASN 139 Ca 0.00 1.51 -0.19 0.00 -0.71 0.00 0.00 52.86 53.48 2qgi s ASN 139 Cb 0.00 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.21 2qgi s ASN 139 CO 0.00 0.03 0.74 -0.67 -1.51 0.00 0.00 177.10 175.69 2qgi n ASP 140 N 0.76 -5.28 -4.64 -1.22 2.03 -1.19 -4.94 116.55 102.07 2qgi n ASP 140 Ca -0.02 -0.98 -0.23 0.00 0.52 0.00 0.00 54.79 54.08 2qgi n ASP 140 Cb 0.51 -2.98 -0.07 0.00 -0.72 0.00 0.00 41.12 37.85 2qgi n ASP 140 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qgi s ARG 141 N -5.82 2.23 0.05 -0.67 1.70 -0.10 -4.95 118.95 111.38 2qgi s ARG 141 Ca 0.37 -1.50 0.02 0.00 -0.47 0.00 0.00 55.73 54.15 2qgi s ARG 141 Cb -0.15 -2.10 -0.03 0.00 -0.57 0.00 0.00 34.95 32.10 2qgi s ARG 141 CO 0.88 0.31 -0.07 1.03 -1.08 0.00 0.00 175.30 176.37 2qgi s ARG 142 N -3.68 0.56 -0.02 3.89 0.52 -1.26 -1.48 118.95 117.48 2qgi s ARG 142 Ca 0.32 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2qgi s ARG 142 Cb -0.05 -0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.20 2qgi s ARG 142 CO 0.20 0.02 -0.12 1.03 0.02 0.00 0.00 175.30 176.45 2qgi s ARG 143 N -2.06 1.04 2.90 3.54 1.81 -0.71 -4.95 118.95 120.52 2qgi s ARG 143 Ca -0.06 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 2qgi s ARG 143 Cb -0.07 -0.98 0.00 0.00 -0.45 0.00 0.00 34.95 33.45 2qgi s ARG 143 CO -0.01 0.22 0.00 0.41 -0.68 0.00 0.00 175.30 175.24 2qgi n GLY 144 N 2.95 0.06 2.79 -3.53 0.00 -1.23 -1.03 105.19 105.19 2qgi n GLY 144 Ca -0.15 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 1.66 0.05 1.61 0.01 -1.26 -4.81 114.94 108.20 2qgi s ASN 145 Ca 0.00 -0.12 0.04 0.00 -0.71 0.00 0.00 52.86 52.07 2qgi s ASN 145 Cb 0.00 -0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.12 2qgi s ASN 145 CO 0.00 -0.18 -0.00 0.68 -1.51 0.00 0.00 177.10 176.09 2qgi s VAL 146 N 1.91 4.04 0.49 1.60 -7.23 -1.26 -4.18 120.40 115.77 2qgi s VAL 146 Ca 0.05 -0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 59.18 2qgi s VAL 146 Cb -0.12 -2.87 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 2qgi s VAL 146 CO -0.06 0.22 1.00 -2.16 -0.31 0.00 0.00 175.10 173.80 2qgi s PRO 147 N -2.00 3.90 0.08 4.82 0.04 -1.26 -4.70 135.00 135.88 2qgi s PRO 147 Ca 0.23 1.20 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 2qgi s PRO 147 Cb -0.12 -2.12 0.08 0.00 0.04 0.00 0.00 34.50 32.39 2qgi s PRO 147 CO 0.15 -0.33 0.71 0.00 0.04 0.00 0.00 177.00 177.57 2qgi s ARG 149 N -3.23 4.45 0.16 0.00 3.52 -1.26 -0.90 118.95 121.69 2qgi s ARG 149 Ca 0.01 2.07 0.04 0.00 -0.13 0.00 0.00 55.73 57.72 2qgi s ARG 149 Cb -0.01 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 2qgi s ARG 149 CO -0.09 -0.05 -0.08 0.14 -0.81 0.00 0.00 175.30 174.41 2qgi s VAL 150 N -1.15 1.11 -1.43 7.11 -7.23 0.20 -1.33 120.40 117.67 2qgi s VAL 150 Ca 0.47 -2.05 0.19 0.00 -1.81 0.00 0.00 61.98 58.78 2qgi s VAL 150 Cb -0.37 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.57 2qgi s VAL 150 CO 0.49 -0.68 0.90 -1.84 -0.31 0.00 0.00 175.10 173.66 2qgi n GLU 151 N -0.23 1.29 -3.56 4.82 0.28 0.21 -4.21 120.64 119.25 2qgi n GLU 151 Ca -0.09 -0.58 -0.11 0.00 -0.16 0.00 0.00 57.16 56.21 2qgi n GLU 151 Cb 0.61 -1.37 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 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 -2.37 -0.37 0.03 -1.84 1.04 -1.24 -4.51 113.70 104.44 2qgi s SER 152 Ca 0.13 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.37 2qgi s SER 152 Cb 0.15 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 2qgi s SER 152 CO 0.58 -0.93 -0.08 -0.76 0.98 0.00 0.00 173.24 173.03 2qgi s LEU 153 N -2.79 2.18 0.33 2.42 1.43 -1.26 -1.87 118.68 119.12 2qgi s LEU 153 Ca 0.03 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 2qgi s LEU 153 Cb 0.00 -0.26 -0.10 0.00 0.03 0.00 0.00 46.19 45.86 2qgi s LEU 153 CO -0.11 -0.10 1.28 -0.62 0.23 0.00 0.00 176.35 177.03 2qgi s ASP 154 N -1.15 6.83 0.00 2.29 3.68 0.74 -3.91 116.67 125.14 2qgi s ASP 154 Ca -0.05 2.64 0.18 0.00 2.13 0.00 0.00 52.55 57.45 2qgi s ASP 154 Cb -0.08 -2.65 0.95 0.00 -1.45 0.00 0.00 42.92 39.69 2qgi s ASP 154 CO 0.00 -0.49 1.56 -0.62 0.13 0.00 0.00 175.17 175.75 2qgi n GLU 155 N 0.84 0.29 0.24 4.34 4.71 -1.26 -3.84 120.64 125.96 2qgi n GLU 155 Ca -0.00 0.10 0.08 0.00 -0.01 0.00 0.00 57.16 57.33 2qgi n GLU 155 Cb 0.42 -1.50 0.61 0.00 -1.01 0.00 0.00 31.44 29.96 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 -4.58 -1.48 0.24 0.00 5.36 -1.25 -0.79 117.98 115.49 2qgi s PHE 157 Ca -0.04 1.87 -0.04 0.00 -0.96 0.00 0.00 56.93 57.76 2qgi s PHE 157 Cb 0.15 0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 43.44 2qgi s PHE 157 CO 0.65 -0.79 0.29 -0.48 -1.46 0.00 0.00 175.22 173.43 2qgi s LEU 158 N 2.87 0.95 0.03 6.12 0.05 -0.48 -3.68 118.68 124.54 2qgi s LEU 158 Ca 0.12 -1.31 -0.17 0.00 0.05 0.00 0.00 54.13 52.82 2qgi s LEU 158 Cb -0.14 0.93 0.03 0.00 -2.05 0.00 0.00 46.19 44.96 2qgi s LEU 158 CO -0.20 -1.00 0.38 -1.48 -0.55 0.00 0.00 176.35 173.49 2qgi s LEU 159 N -3.15 0.57 0.13 1.48 0.05 0.32 -0.60 118.68 117.49 2qgi s LEU 159 Ca 0.33 0.01 -0.07 0.00 0.05 0.00 0.00 54.13 54.45 2qgi s LEU 159 Cb 0.03 1.58 -0.02 0.00 -2.05 0.00 0.00 46.19 45.73 2qgi s LEU 159 CO 0.14 -0.60 0.19 0.00 -0.55 0.00 0.00 176.35 175.53 2qgi s MET 160 N -2.18 1.01 0.20 1.48 0.23 -0.52 -1.19 119.30 118.33 2qgi s MET 160 Ca -0.07 -1.20 -0.30 0.00 -1.03 0.00 0.00 55.69 53.09 2qgi s MET 160 Cb -0.02 0.33 -0.08 0.00 -1.53 0.00 0.00 34.83 33.53 2qgi s MET 160 CO -0.00 -0.34 1.14 1.03 -2.03 0.00 0.00 175.02 174.82 2qgi s ARG 161 N -3.96 4.56 0.36 3.16 0.52 -1.26 -0.05 118.95 122.27 2qgi s ARG 161 Ca 0.16 1.80 0.03 0.00 -0.52 0.00 0.00 55.73 57.19 2qgi s ARG 161 Cb 0.05 -3.25 0.66 0.00 0.52 0.00 0.00 34.95 32.93 2qgi s ARG 161 CO -0.02 0.02 2.01 -0.09 0.02 0.00 0.00 175.30 177.24 2qgi h ARG 162 N 4.96 0.80 -0.02 3.54 2.43 -1.30 -1.35 114.38 123.45 2qgi h ARG 162 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2qgi h ARG 162 Cb 1.21 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2qgi h ARG 162 CO 0.72 0.53 -0.03 1.28 -1.51 0.00 0.00 179.97 180.97 2qgi n LEU 163 N -4.45 1.61 -3.17 3.80 4.77 -1.26 -4.10 117.00 114.20 2qgi n LEU 163 Ca 0.06 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.29 2qgi n LEU 163 Cb 0.05 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2qgi n LEU 163 CO 0.36 0.27 -0.16 0.29 -1.33 0.00 0.00 177.39 176.82 2qgi n LYS 164 N 0.21 1.43 -1.58 3.23 5.02 -0.52 -5.12 118.16 120.83 2qgi n LYS 164 Ca 0.18 -3.71 -0.29 0.00 -2.02 0.00 0.00 58.31 52.46 2qgi n LYS 164 Cb 0.38 -1.71 0.11 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.25 1.73 0.01 1.97 0.04 -1.14 -4.24 135.00 131.12 2qgi s PRO 165 Ca 0.40 0.46 0.04 0.00 0.04 0.00 0.00 61.00 61.93 2qgi s PRO 165 Cb 0.27 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.90 2qgi s PRO 165 CO -0.09 -1.83 -0.11 0.08 0.04 0.00 0.00 177.00 175.09 2qgi s VAL 166 N -3.24 0.86 0.05 -0.36 1.01 -1.26 -5.06 120.40 112.39 2qgi s VAL 166 Ca 0.62 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2qgi s VAL 166 Cb -0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2qgi s VAL 166 CO 0.53 0.11 0.01 -0.76 0.00 0.00 0.00 175.10 174.99 2qgi s LEU 167 N -0.61 3.54 0.57 3.92 1.43 -1.26 -5.08 118.68 121.18 2qgi s LEU 167 Ca 0.02 -0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 2qgi s LEU 167 Cb -0.05 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 2qgi s LEU 167 CO 0.00 0.22 1.03 0.20 0.23 0.00 0.00 176.35 178.03 2qgi s ASN 168 N -1.96 6.11 0.77 2.29 0.02 -1.26 -4.80 114.94 116.11 2qgi s ASN 168 Ca 0.23 1.70 -0.15 0.00 -1.02 0.00 0.00 52.86 53.63 2qgi s ASN 168 Cb -0.12 -2.52 0.04 0.00 0.02 0.00 0.00 41.25 38.67 2qgi s ASN 168 CO 0.15 -0.94 0.99 -1.20 0.02 0.00 0.00 177.10 176.12 2qgi n SER 169 N -1.91 0.41 0.04 -1.22 7.64 -1.26 -4.95 113.62 112.36 2qgi n SER 169 Ca 0.08 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.67 2qgi n SER 169 Cb 0.53 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.26 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 -2.90 0.36 -0.72 1.43 4.01 -1.26 -4.34 117.16 113.74 2qgi n TYR 170 Ca 0.13 0.11 0.06 0.00 -0.16 0.00 0.00 57.90 58.03 2qgi n TYR 170 Cb 0.50 -0.58 0.37 0.00 -0.31 0.00 0.00 39.34 39.32 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 -2.22 5.28 -4.01 7.72 5.75 -1.26 -4.84 116.55 122.97 2qgi n ASP 171 Ca -0.00 -2.85 -0.15 0.00 -0.01 0.00 0.00 54.79 51.78 2qgi n ASP 171 Cb 0.50 -0.67 -0.13 0.00 -1.03 0.00 0.00 41.12 39.79 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 -2.60 0.48 -0.02 0.11 -1.94 -1.26 -5.13 119.30 108.94 2qgi s MET 172 Ca 0.49 -0.46 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 2qgi s MET 172 Cb 0.38 -0.37 0.01 0.00 2.01 0.00 0.00 34.83 36.86 2qgi s MET 172 CO 0.14 0.09 -0.02 -0.65 -0.01 0.00 0.00 175.02 174.57 2qgi s GLN 173 N -0.80 0.31 0.00 2.03 -0.21 -1.26 -4.73 119.66 115.00 2qgi s GLN 173 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.31 2qgi s GLN 173 Cb -0.06 -0.38 0.00 0.00 1.00 0.00 0.00 33.01 33.57 2qgi s GLN 173 CO 0.00 -0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 2qgi n GLY 174 N 3.54 0.75 1.20 3.09 0.00 -1.26 -4.95 105.19 107.57 2qgi n GLY 174 Ca -0.20 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 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 0.62 -3.81 1.61 3.72 -1.26 -0.43 117.46 126.91 2qgi n PHE 175 Ca 0.00 -1.49 -0.12 0.00 -0.05 0.00 0.00 57.45 55.79 2qgi n PHE 175 Cb 0.00 -0.25 -0.10 0.00 -0.94 0.00 0.00 39.48 38.20 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 -2.72 -0.10 0.00 1.38 3.76 -1.26 -4.93 115.29 111.41 2qgi s HIS 176 Ca 0.39 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2qgi s HIS 176 Cb 0.38 0.04 0.00 0.00 1.11 0.00 0.00 32.58 34.10 2qgi s HIS 176 CO -0.07 -0.30 0.00 0.66 -0.85 0.00 0.00 174.74 174.18 2qgi n TYR 177 N 1.64 0.00 0.43 1.40 4.01 -1.26 -4.87 117.16 118.51 2qgi n TYR 177 Ca -0.21 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.67 2qgi n TYR 177 Cb 0.56 -0.95 0.46 0.00 -0.31 0.00 0.00 39.34 39.09 2qgi n TYR 177 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2qgi h TYR 178 N 0.00 0.00 0.02 -0.72 -0.00 -1.91 0.23 116.97 114.58 2qgi h TYR 178 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 2qgi h TYR 178 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.07 2qgi h TYR 178 CO 0.22 0.00 -0.01 0.78 -0.00 0.00 0.00 178.16 179.15 2qgi h GLY 179 N 3.19 -0.02 0.97 0.10 0.00 -1.90 -2.64 103.07 102.77 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 0.24 0.00 0.00 0.00 0.00 176.54 176.77 2qgi h ALA 180 N 0.13 0.57 -0.64 3.60 0.00 -1.64 -1.94 119.26 119.35 2qgi h ALA 180 Ca -0.00 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2qgi h ALA 180 Cb 0.74 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2qgi h ALA 180 CO 0.00 0.10 0.27 0.22 0.00 0.00 0.00 179.25 179.85 2qgi h ASP 181 N 0.58 0.31 -0.71 0.00 3.58 -1.04 -0.56 116.42 118.59 2qgi h ASP 181 Ca 0.16 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2qgi h ASP 181 Cb 0.06 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2qgi h ASP 181 CO -0.02 0.18 0.38 0.25 -2.88 0.00 0.00 179.24 177.14 2qgi h LEU 182 N 0.48 0.89 -0.84 2.28 5.85 -1.06 -1.02 115.31 121.89 2qgi h LEU 182 Ca 0.32 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2qgi h LEU 182 Cb 0.37 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2qgi h LEU 182 CO -0.29 0.74 0.41 0.00 -0.34 0.00 0.00 178.44 178.97 2qgi h LEU 184 N 1.19 0.75 -1.16 0.00 3.38 -0.85 -2.20 115.31 116.42 2qgi h LEU 184 Ca 0.29 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2qgi h LEU 184 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2qgi h LEU 184 CO -0.04 0.89 -0.02 1.56 0.09 0.00 0.00 178.44 180.92 2qgi h GLN 185 N 0.59 0.55 -0.94 1.13 1.08 -0.95 -1.31 115.11 115.27 2qgi h GLN 185 Ca 0.12 -0.13 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 2qgi h GLN 185 Cb 0.52 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.82 2qgi h GLN 185 CO 0.03 0.59 0.61 0.00 -0.95 0.00 0.00 178.83 179.11 2qgi h ALA 186 N 1.46 1.43 -0.24 3.87 0.00 -0.76 -0.35 119.26 124.67 2qgi h ALA 186 Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qgi h ALA 186 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qgi h ALA 186 CO 0.01 0.45 -0.10 1.49 0.00 0.00 0.00 179.25 181.10 2qgi h GLU 187 N 1.13 0.49 -0.88 0.00 4.81 -0.68 0.38 114.58 119.84 2qgi h GLU 187 Ca 0.39 -0.21 0.13 0.00 -0.13 0.00 0.00 59.36 59.54 2qgi h GLU 187 Cb 0.09 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 2qgi h GLU 187 CO -0.13 0.75 0.57 0.74 -0.73 0.00 0.00 179.01 180.20 2qgi h PHE 188 N 0.21 0.84 0.00 0.92 0.04 -0.50 -0.87 116.94 117.59 2qgi h PHE 188 Ca 0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2qgi h PHE 188 Cb 0.59 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.48 2qgi h PHE 188 CO 0.06 0.34 0.00 1.28 -0.60 0.00 0.00 178.31 179.39 2qgi n LEU 189 N -4.55 0.00 0.00 1.54 4.77 -0.22 -4.91 117.00 113.63 2qgi n LEU 189 Ca 0.16 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2qgi n LEU 189 Cb 0.42 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2qgi n LEU 189 CO 0.30 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2qgi n GLY 190 N 0.90 0.61 0.00 -0.72 0.00 -0.33 -5.06 105.19 100.59 2qgi n GLY 190 Ca 0.21 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.67 4.41 3.27 -0.02 0.00 0.08 -5.01 105.19 105.25 2qgi n GLY 191 Ca 0.00 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.82 1.16 0.03 1.61 0.52 -0.57 -3.67 118.95 116.21 2qgi s ARG 192 Ca 0.00 -1.56 0.08 0.00 -0.52 0.00 0.00 55.73 53.73 2qgi s ARG 192 Cb 0.00 -0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.02 2qgi s ARG 192 CO 0.00 -0.08 -0.22 0.00 0.02 0.00 0.00 175.30 175.01 2qgi s ALA 193 N -3.53 1.89 0.06 2.13 0.00 -1.26 -0.04 121.76 121.01 2qgi s ALA 193 Ca 0.24 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2qgi s ALA 193 Cb 0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2qgi s ALA 193 CO 0.05 0.44 -0.14 0.71 0.00 0.00 0.00 175.76 176.81 2qgi s TYR 194 N -0.75 1.20 -0.23 0.00 1.51 -0.48 -0.63 117.35 117.97 2qgi s TYR 194 Ca 0.09 -0.42 -0.12 0.00 -1.01 0.00 0.00 57.07 55.60 2qgi s TYR 194 Cb -0.09 -0.69 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 2qgi s TYR 194 CO 0.01 0.05 0.23 0.00 -1.11 0.00 0.00 175.55 174.73 2qgi s ALA 195 N -1.13 3.60 0.48 3.71 0.00 -0.08 -0.73 121.76 127.60 2qgi s ALA 195 Ca -0.01 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.26 2qgi s ALA 195 Cb -0.09 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.65 2qgi s ALA 195 CO 0.02 -0.21 0.63 0.96 0.00 0.00 0.00 175.76 177.16 2qgi s ILE 196 N 1.11 2.65 -0.55 0.00 -4.36 0.46 -0.95 121.20 119.56 2qgi s ILE 196 Ca 0.11 -1.03 -0.16 0.00 -0.26 0.00 0.00 60.65 59.31 2qgi s ILE 196 Cb -0.14 -2.68 0.13 0.00 1.25 0.00 0.00 42.46 41.02 2qgi s ILE 196 CO 0.05 0.00 0.52 -0.62 0.24 0.00 0.00 174.94 175.14 2qgi s ASP 197 N -4.45 6.20 -0.35 4.36 -1.08 -1.26 -4.54 116.67 115.55 2qgi s ASP 197 Ca 0.56 -1.77 0.02 0.00 -0.52 0.00 0.00 52.55 50.84 2qgi s ASP 197 Cb -0.08 -2.22 0.15 0.00 -1.46 0.00 0.00 42.92 39.31 2qgi s ASP 197 CO 0.34 -0.88 0.32 0.12 0.52 0.00 0.00 175.17 175.60 2qgi s PHE 198 N 1.68 -0.12 -0.05 -5.34 5.36 -1.26 -4.93 117.98 113.32 2qgi s PHE 198 Ca 0.04 -0.86 -0.30 0.00 -0.96 0.00 0.00 56.93 54.85 2qgi s PHE 198 Cb -0.29 -0.53 -0.03 0.00 -0.34 0.00 0.00 43.02 41.83 2qgi s PHE 198 CO 0.03 -0.93 1.11 -1.58 -1.46 0.00 0.00 175.22 172.39 2qgi s HIS 199 N 1.55 3.39 0.34 10.12 5.65 -1.26 -4.90 115.29 130.17 2qgi s HIS 199 Ca 0.16 1.41 0.08 0.00 0.25 0.00 0.00 55.06 56.96 2qgi s HIS 199 Cb -0.16 -3.31 -0.03 0.00 -1.18 0.00 0.00 32.58 27.90 2qgi s HIS 199 CO -0.09 -0.78 0.28 1.47 -0.65 0.00 0.00 174.74 174.97 2qgi n LEU 200 N 4.79 0.00 -4.42 8.88 -0.00 -1.26 -4.00 117.00 120.99 2qgi n LEU 200 Ca 0.09 -3.22 -0.34 0.00 -0.00 0.00 0.00 56.01 52.54 2qgi n LEU 200 Cb 0.48 1.68 -0.13 0.00 -0.00 0.00 0.00 43.42 45.45 2qgi n LEU 200 CO 0.54 -0.53 -0.38 -2.28 -0.00 0.00 0.00 177.39 174.74 2qgi s HIS 201 N -3.37 2.96 -0.22 1.47 5.65 -0.30 -1.30 115.29 120.18 2qgi s HIS 201 Ca 0.40 -0.53 -0.00 0.00 0.25 0.00 0.00 55.06 55.17 2qgi s HIS 201 Cb 0.02 -1.98 0.02 0.00 -1.18 0.00 0.00 32.58 29.46 2qgi s HIS 201 CO 0.28 -0.21 -0.11 -1.58 -0.65 0.00 0.00 174.74 172.47 2qgi s HIS 202 N 0.68 2.98 -0.61 3.88 2.46 0.13 -0.57 115.29 124.25 2qgi s HIS 202 Ca -0.03 -1.61 0.25 0.00 0.47 0.00 0.00 55.06 54.14 2qgi s HIS 202 Cb -0.15 -2.00 0.51 0.00 -0.13 0.00 0.00 32.58 30.81 2qgi s HIS 202 CO 0.02 -0.75 1.54 1.88 -2.47 0.00 0.00 174.74 174.96 2qgi h TYR 203 N 7.97 0.00 -4.21 3.88 0.05 -1.45 -3.37 116.97 119.84 2qgi h TYR 203 Ca -0.37 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 57.92 2qgi h TYR 203 Cb 1.12 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.93 2qgi h TYR 203 CO 0.55 0.00 0.38 0.20 -1.05 0.00 0.00 178.16 178.24 2qgi s GLY 204 N -3.79 2.10 -0.11 3.88 0.00 -1.26 -4.79 107.32 103.35 2qgi s GLY 204 Ca 0.08 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.18 2qgi s GLY 204 CO 0.67 0.70 -0.11 0.50 0.00 0.00 0.00 173.10 174.86 2qgi s ARG 205 N -4.14 3.17 0.65 2.90 0.52 -1.26 -4.70 118.95 116.09 2qgi s ARG 205 Ca 0.63 -0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 55.02 2qgi s ARG 205 Cb -0.16 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 2qgi s ARG 205 CO 0.38 0.36 1.27 0.00 0.02 0.00 0.00 175.30 177.34 2qgi s ALA 206 N -0.02 2.38 -0.32 2.13 0.00 -1.26 -5.00 121.76 119.67 2qgi s ALA 206 Ca -0.02 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.12 2qgi s ALA 206 Cb -0.14 -3.53 0.09 0.00 0.00 0.00 0.00 23.12 19.54 2qgi s ALA 206 CO 0.04 -1.55 0.01 0.42 0.00 0.00 0.00 175.76 174.68 2qgi s ILE 207 N -1.49 2.34 -1.45 0.00 1.01 -1.26 -5.01 121.20 115.34 2qgi s ILE 207 Ca 0.81 -2.10 -0.08 0.00 0.00 0.00 0.00 60.65 59.28 2qgi s ILE 207 Cb -0.35 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.55 2qgi s ILE 207 CO 0.39 -0.43 2.53 0.00 0.00 0.00 0.00 174.94 177.43 2qgi n ALA 208 N 4.34 6.80 -2.41 9.38 0.00 -1.26 -4.67 120.51 132.68 2qgi n ALA 208 Ca -0.02 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.53 2qgi n ALA 208 Cb 0.42 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.77 2qgi n ALA 208 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qgi n ASP 209 N 3.11 0.00 -0.34 0.00 5.68 -1.26 -4.84 116.55 118.89 2qgi n ASP 209 Ca 0.65 -0.71 -0.04 0.00 -0.50 0.00 0.00 54.79 54.19 2qgi n ASP 209 Cb 0.27 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.34 2qgi n ASP 209 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2qgi h GLU 210 N 0.00 1.27 -0.90 0.11 4.81 -2.00 -1.81 114.58 116.06 2qgi h GLU 210 Ca 0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2qgi h GLU 210 Cb 0.00 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.08 2qgi h GLU 210 CO 0.00 0.92 0.54 -0.91 -0.73 0.00 0.00 179.01 178.83 2qgi h ASN 211 N 1.28 1.09 0.12 1.04 -0.26 -1.94 0.19 115.58 117.09 2qgi h ASN 211 Ca 0.32 -0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 2qgi h ASN 211 Cb 0.01 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.00 2qgi h ASN 211 CO -0.05 0.84 -0.06 0.15 -1.06 0.00 0.00 177.43 177.25 2qgi h PHE 212 N 1.25 -0.15 -0.91 1.19 3.57 -1.65 0.50 116.94 120.75 2qgi h PHE 212 Ca 0.32 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.85 2qgi h PHE 212 Cb -0.04 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 2qgi h PHE 212 CO 0.01 -0.09 0.59 0.45 -2.23 0.00 0.00 178.31 177.04 2qgi h HIS 213 N -0.16 1.11 -0.03 0.41 3.86 -1.00 -0.03 115.15 119.31 2qgi h HIS 213 Ca -0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2qgi h HIS 213 Cb 0.12 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 2qgi h HIS 213 CO -0.07 0.65 0.01 -0.09 0.86 0.00 0.00 177.93 179.29 2qgi h ARG 214 N 1.15 0.04 -0.07 2.45 2.43 -0.46 -1.93 114.38 118.00 2qgi h ARG 214 Ca 0.36 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2qgi h ARG 214 Cb -0.01 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2qgi h ARG 214 CO -0.12 0.14 -0.47 -0.07 -1.51 0.00 0.00 179.97 177.94 2qgi h LEU 215 N -0.06 0.18 -0.65 3.80 3.38 -0.70 0.37 115.31 121.62 2qgi h LEU 215 Ca 0.01 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qgi h LEU 215 Cb 0.11 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2qgi h LEU 215 CO -0.00 0.62 0.42 -0.09 0.09 0.00 0.00 178.44 179.48 2qgi h ARG 216 N 0.14 0.82 -0.39 1.13 2.43 -0.84 0.19 114.38 117.86 2qgi h ARG 216 Ca 0.01 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2qgi h ARG 216 Cb 0.88 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2qgi h ARG 216 CO 0.07 0.54 -0.16 0.37 -1.51 0.00 0.00 179.97 179.28 2qgi h GLN 217 N 0.84 0.80 -0.73 0.20 4.15 -0.78 -1.99 115.11 117.60 2qgi h GLN 217 Ca 0.25 -0.34 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2qgi h GLN 217 Cb -0.05 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 2qgi h GLN 217 CO -0.07 0.96 0.39 0.93 -1.93 0.00 0.00 178.83 179.11 2qgi h GLU 218 N 0.60 1.02 -0.58 1.69 5.08 -0.61 0.61 114.58 122.38 2qgi h GLU 218 Ca 0.09 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2qgi h GLU 218 Cb 0.71 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2qgi h GLU 218 CO 0.05 0.76 0.25 0.52 -1.00 0.00 0.00 179.01 179.59 2qgi h MET 219 N 1.02 0.86 -0.26 2.33 2.86 -0.51 -0.27 114.93 120.97 2qgi h MET 219 Ca 0.26 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 2qgi h MET 219 Cb 0.05 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2qgi h MET 219 CO -0.04 0.73 -0.10 0.00 1.06 0.00 0.00 176.91 178.55 2qgi h ALA 220 N 1.09 0.37 -0.73 6.32 0.00 -0.89 0.01 119.26 125.43 2qgi h ALA 220 Ca 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2qgi h ALA 220 Cb 0.17 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2qgi h ALA 220 CO -0.02 0.22 0.40 1.96 0.00 0.00 0.00 179.25 181.81 2qgi h GLN 221 N 0.28 1.01 0.14 0.00 4.20 -0.71 -1.10 115.11 118.93 2qgi h GLN 221 Ca 0.06 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2qgi h GLN 221 Cb 0.60 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2qgi h GLN 221 CO 0.03 0.74 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.64 2qgi h LYS 222 N 1.02 -0.19 0.00 1.46 3.64 -0.94 -3.37 116.57 118.19 2qgi h LYS 222 Ca 0.26 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2qgi h LYS 222 Cb 0.02 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2qgi h LYS 222 CO -0.04 0.21 -0.03 1.88 -2.27 0.00 0.00 179.45 179.20 2qgi h TYR 223 N -0.94 0.00 0.00 1.91 -1.99 -0.97 -2.96 116.97 112.03 2qgi h TYR 223 Ca -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 2qgi h TYR 223 Cb 0.48 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.21 2qgi h TYR 223 CO 0.08 0.03 -0.07 0.07 -0.00 0.00 0.00 178.16 178.28 2qgi h ARG 224 N 0.00 0.00 -0.11 4.88 0.11 -1.35 0.14 114.38 118.04 2qgi h ARG 224 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2qgi h ARG 224 Cb 0.96 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 2qgi h ARG 224 CO 0.00 0.07 0.03 0.00 0.10 0.00 0.00 179.97 180.17 2qgi h ARG 225 N 0.00 0.15 0.00 0.08 3.08 -1.69 -3.06 114.38 112.94 2qgi h ARG 225 Ca -0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2qgi h ARG 225 Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2qgi h ARG 225 CO 0.01 0.14 -1.17 0.91 -1.07 0.00 0.00 179.97 178.79 2qgi n TRP 226 N -4.47 0.00 -2.99 3.04 8.01 -0.82 -4.74 117.44 115.46 2qgi n TRP 226 Ca -0.01 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.92 2qgi n TRP 226 Cb 0.12 -0.09 -0.04 0.00 -2.01 0.00 0.00 31.31 29.29 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 -1.65 3.32 -1.84 -5.99 3.72 0.42 -5.09 117.46 110.34 2qgi n PHE 227 Ca -0.01 -3.97 -0.42 0.00 -0.05 0.00 0.00 57.45 53.01 2qgi n PHE 227 Cb 0.12 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.16 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 -3.26 4.17 0.00 -1.08 0.04 -1.16 -1.89 135.00 131.82 2qgi s PRO 228 Ca 0.47 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.99 2qgi s PRO 228 Cb 0.29 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.73 2qgi s PRO 228 CO -0.13 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2qgi n GLY 229 N 3.45 2.09 3.77 0.56 0.00 0.06 -4.92 105.19 110.20 2qgi n GLY 229 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.51 3.94 -0.32 1.61 3.52 -0.79 -4.76 118.95 121.63 2qgi s ARG 230 Ca 0.00 2.16 -0.09 0.00 -0.13 0.00 0.00 55.73 57.67 2qgi s ARG 230 Cb 0.00 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 2qgi s ARG 230 CO 0.00 -0.52 0.14 0.42 -0.81 0.00 0.00 175.30 174.53 2qgi s ILE 231 N -1.26 4.36 -0.24 4.11 1.01 -1.26 -1.06 121.20 126.86 2qgi s ILE 231 Ca 0.57 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 2qgi s ILE 231 Cb -0.38 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2qgi s ILE 231 CO 0.49 -0.03 0.49 -0.22 0.00 0.00 0.00 174.94 175.67 2qgi s LEU 232 N 1.55 4.08 -0.00 2.97 2.96 0.11 -4.90 118.68 125.46 2qgi s LEU 232 Ca 0.03 0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 54.29 2qgi s LEU 232 Cb -0.18 -2.63 -0.06 0.00 0.50 0.00 0.00 46.19 43.82 2qgi s LEU 232 CO 0.05 -0.23 0.51 -1.00 -1.32 0.00 0.00 176.35 174.36 2qgi s HIS 233 N 2.01 3.70 0.11 5.38 3.76 -1.26 -0.16 115.29 128.83 2qgi s HIS 233 Ca 0.21 1.10 0.03 0.00 -0.15 0.00 0.00 55.06 56.25 2qgi s HIS 233 Cb -0.15 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 2qgi s HIS 233 CO 0.09 0.47 -0.09 0.00 -0.85 0.00 0.00 174.74 174.36 2qgi h VAL 235 N 3.16 0.42 -0.00 0.00 -1.51 -1.84 0.03 116.25 116.50 2qgi h VAL 235 Ca -0.36 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2qgi h VAL 235 Cb 1.18 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2qgi h VAL 235 CO 0.59 0.00 -0.06 0.35 -1.23 0.00 0.00 177.57 177.22 2qgi n THR 236 N -3.71 0.00 0.00 7.19 -2.24 -1.26 -5.02 114.28 109.24 2qgi n THR 236 Ca 0.01 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2qgi n THR 236 Cb 0.31 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 1.25 3.79 3.80 3.38 0.00 -0.00 -5.09 105.19 112.31 2qgi n GLY 237 Ca 0.16 -1.72 -0.34 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 -2.82 3.93 -0.22 1.61 0.52 -1.26 -2.02 118.95 118.70 2qgi s ARG 238 Ca 0.00 1.36 -0.00 0.00 -0.52 0.00 0.00 55.73 56.56 2qgi s ARG 238 Cb 0.00 -2.20 0.06 0.00 0.52 0.00 0.00 34.95 33.33 2qgi s ARG 238 CO 0.00 -0.32 -0.03 0.08 0.02 0.00 0.00 175.30 175.06 2qgi s VAL 239 N -1.94 1.18 -0.39 3.52 1.01 0.77 -4.97 120.40 119.59 2qgi s VAL 239 Ca 0.65 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 2qgi s VAL 239 Cb -0.16 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2qgi s VAL 239 CO 0.20 -0.12 1.14 0.00 0.00 0.00 0.00 175.10 176.33 2qgi s ALA 240 N 1.56 3.32 0.29 5.51 0.00 -1.26 -0.71 121.76 130.47 2qgi s ALA 240 Ca -0.04 -0.21 0.12 0.00 0.00 0.00 0.00 51.96 51.83 2qgi s ALA 240 Cb -0.18 -3.79 0.52 0.00 0.00 0.00 0.00 23.12 19.67 2qgi s ALA 240 CO -0.07 -1.88 1.70 -0.07 0.00 0.00 0.00 175.76 175.44 2qgi h LEU 241 N 10.75 0.00 0.00 0.00 3.38 -1.41 -3.48 115.31 124.55 2qgi h LEU 241 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2qgi h LEU 241 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2qgi h LEU 241 CO 1.08 0.51 0.00 0.61 0.09 0.00 0.00 178.44 180.72 2qgi n GLY 242 N 0.02 -0.52 0.00 0.83 0.00 -1.26 -4.63 105.19 99.63 2qgi n GLY 242 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.30 7.00 -0.02 0.00 -1.26 -0.76 105.19 109.85 2qgi n GLY 243 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.07 2.86 0.03 -0.02 0.00 -1.26 -2.39 105.19 104.35 2qgi n GLY 244 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.21 0.34 1.61 4.27 -1.26 -2.49 117.44 134.11 2qgi n TRP 245 Ca 0.00 0.08 0.15 0.00 -3.89 0.00 0.00 57.50 53.84 2qgi n TRP 245 Cb 0.00 -0.63 0.58 0.00 -1.36 0.00 0.00 31.31 29.90 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 -2.72 116.97 112.95 2qgi h TYR 246 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qgi h TYR 246 Cb 0.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.55 2qgi h TYR 246 CO 0.00 0.00 0.00 0.93 -1.64 0.00 0.00 178.16 177.45 2qgi h GLU 247 N 0.00 0.00 -6.79 1.82 4.39 -1.64 -3.43 114.58 108.93 2qgi h GLU 247 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2qgi h GLU 247 Cb 0.48 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.21 2qgi h GLU 247 CO 0.00 0.00 0.91 0.00 -1.16 0.00 0.00 179.01 178.76 2qgi n ALA 248 N -2.00 2.68 0.00 3.43 0.00 -1.03 -5.11 120.51 118.49 2qgi n ALA 248 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2qgi n ALA 248 Cb 0.44 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.41 2qgi n ALA 248 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04