#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qnt s MET 7 N 0.00 4.43 0.12 5.31 1.75 -1.26 -4.44 119.30 125.21 1qnt s MET 7 Ca 0.00 1.43 0.09 0.00 -1.25 0.00 0.00 55.69 55.96 1qnt s MET 7 Cb 0.00 -3.53 -0.04 0.00 2.84 0.00 0.00 34.83 34.10 1qnt s MET 7 CO 0.00 -0.30 -0.18 0.15 -0.65 0.00 0.00 175.02 174.04 1qnt s LYS 8 N 1.93 1.78 0.07 4.11 -0.14 0.14 -4.94 119.74 122.68 1qnt s LYS 8 Ca 0.50 -1.19 0.02 0.00 -1.36 0.00 0.00 55.97 53.93 1qnt s LYS 8 Cb -0.19 -2.11 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1qnt s LYS 8 CO 0.19 0.48 -0.07 1.03 -0.76 0.00 0.00 175.35 176.22 1qnt s ARG 9 N -2.17 0.69 0.18 1.68 0.52 -1.26 -1.66 118.95 116.94 1qnt s ARG 9 Ca 0.18 -1.08 -0.20 0.00 -0.52 0.00 0.00 55.73 54.11 1qnt s ARG 9 Cb -0.10 -0.23 0.05 0.00 0.52 0.00 0.00 34.95 35.18 1qnt s ARG 9 CO 0.10 0.01 0.56 -0.08 0.02 0.00 0.00 175.30 175.92 1qnt s THR 10 N -2.64 0.02 0.26 0.02 -1.32 -0.72 -4.93 115.64 106.33 1qnt s THR 10 Ca 0.02 -0.45 0.11 0.00 -1.21 0.00 0.00 61.69 60.16 1qnt s THR 10 Cb -0.01 -1.33 -0.05 0.00 -1.51 0.00 0.00 72.50 69.60 1qnt s THR 10 CO -0.03 -0.08 -0.15 0.42 -2.21 0.00 0.00 174.62 172.58 1qnt s THR 11 N -3.82 2.77 -0.11 5.08 -4.23 -1.26 -0.68 115.64 113.39 1qnt s THR 11 Ca 0.05 -2.17 -0.05 0.00 -1.18 0.00 0.00 61.69 58.34 1qnt s THR 11 Cb -0.01 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.44 1qnt s THR 11 CO -0.07 -0.33 0.24 -0.22 -0.54 0.00 0.00 174.62 173.69 1qnt s LEU 12 N -3.39 -0.03 0.44 4.79 2.96 0.36 -1.13 118.68 122.68 1qnt s LEU 12 Ca 0.29 0.52 -0.22 0.00 -0.22 0.00 0.00 54.13 54.50 1qnt s LEU 12 Cb -0.06 0.63 -0.09 0.00 0.50 0.00 0.00 46.19 47.17 1qnt s LEU 12 CO 0.16 -0.22 1.04 -1.81 -1.32 0.00 0.00 176.35 174.20 1qnt s ASP 13 N 2.03 6.56 0.36 3.68 1.01 -1.26 -0.29 116.67 128.76 1qnt s ASP 13 Ca -0.02 1.97 -0.12 0.00 0.71 0.00 0.00 52.55 55.09 1qnt s ASP 13 Cb -0.12 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.28 1qnt s ASP 13 CO -0.08 -0.63 0.68 -0.94 0.21 0.00 0.00 175.17 174.41 1qnt s SER 14 N -1.80 0.25 0.16 0.27 1.04 -1.04 -4.52 113.70 108.06 1qnt s SER 14 Ca 0.63 -1.20 0.17 0.00 0.48 0.00 0.00 55.95 56.03 1qnt s SER 14 Cb -0.18 0.78 0.78 0.00 0.10 0.00 0.00 66.02 67.49 1qnt s SER 14 CO 0.23 -1.54 1.53 -2.65 0.98 0.00 0.00 173.24 171.80 1qnt n PRO 15 N -0.53 0.10 -0.34 4.02 -0.02 -1.07 -1.60 135.00 135.56 1qnt n PRO 15 Ca -0.05 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 61.94 1qnt n PRO 15 Cb 0.60 -1.74 0.25 0.00 -0.02 0.00 0.00 33.50 32.60 1qnt n PRO 15 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1qnt n LEU 16 N -1.94 3.66 0.00 2.45 4.77 -1.26 -4.47 117.00 120.21 1qnt n LEU 16 Ca 0.01 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.84 1qnt n LEU 16 Cb 0.14 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1qnt n LEU 16 CO 0.13 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1qnt n GLY 17 N 0.91 -3.14 3.74 -0.72 0.00 -0.63 -4.49 105.19 100.86 1qnt n GLY 17 Ca 0.19 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1qnt n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qnt s LYS 18 N -0.57 4.32 -0.08 1.61 2.20 -1.26 -2.49 119.74 123.47 1qnt s LYS 18 Ca 0.00 2.19 0.02 0.00 -0.36 0.00 0.00 55.97 57.82 1qnt s LYS 18 Cb 0.00 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 1qnt s LYS 18 CO 0.00 -0.34 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.00 1qnt s LEU 19 N -0.33 2.71 -0.24 5.43 1.43 0.60 -1.21 118.68 127.07 1qnt s LEU 19 Ca 0.58 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1qnt s LEU 19 Cb -0.39 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1qnt s LEU 19 CO 0.42 0.27 0.06 -0.70 0.23 0.00 0.00 176.35 176.63 1qnt s GLU 20 N -0.28 3.65 -0.10 1.70 2.12 0.39 -0.49 118.70 125.69 1qnt s GLU 20 Ca 0.02 -0.48 -0.01 0.00 0.36 0.00 0.00 54.97 54.85 1qnt s GLU 20 Cb -0.13 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 1qnt s GLU 20 CO 0.03 -0.15 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.05 1qnt s LEU 21 N 1.51 3.31 0.01 2.70 1.43 0.14 -1.14 118.68 126.64 1qnt s LEU 21 Ca 0.06 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1qnt s LEU 21 Cb -0.15 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 1qnt s LEU 21 CO 0.03 0.30 -0.03 -0.94 0.23 0.00 0.00 176.35 175.94 1qnt s SER 22 N -0.45 0.36 -0.06 2.29 1.04 -0.78 -1.76 113.70 114.34 1qnt s SER 22 Ca 0.07 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 55.97 1qnt s SER 22 Cb -0.12 0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.12 1qnt s SER 22 CO 0.02 -0.08 1.34 -0.83 0.98 0.00 0.00 173.24 174.67 1qnt s GLY 23 N -0.63 -0.24 0.19 7.32 0.00 -0.66 -0.41 107.32 112.89 1qnt s GLY 23 Ca -0.05 0.26 0.04 0.00 0.00 0.00 0.00 44.72 44.97 1qnt s GLY 23 CO -0.00 5.00 0.13 0.00 0.00 0.00 0.00 173.10 178.23 1qnt h GLU 25 N 0.00 0.00 0.00 0.00 4.39 -1.94 -1.71 114.58 115.32 1qnt h GLU 25 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1qnt h GLU 25 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1qnt h GLU 25 CO 0.20 0.02 0.00 1.96 -1.16 0.00 0.00 179.01 180.03 1qnt h GLN 26 N 0.00 0.00 0.00 2.33 4.20 -1.96 -3.45 115.11 116.23 1qnt h GLN 26 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qnt h GLN 26 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1qnt h GLN 26 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1qnt n GLY 27 N 0.87 2.89 3.74 3.46 0.00 -0.64 -4.51 105.19 110.99 1qnt n GLY 27 Ca 0.04 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 1qnt n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qnt s LEU 28 N 0.00 4.42 -0.27 0.99 2.96 0.56 -1.76 118.68 125.59 1qnt s LEU 28 Ca 0.00 2.40 -0.10 0.00 -0.22 0.00 0.00 54.13 56.21 1qnt s LEU 28 Cb 0.00 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 42.94 1qnt s LEU 28 CO 0.00 -0.52 -0.29 1.57 -1.32 0.00 0.00 176.35 175.79 1qnt n HIS 29 N 2.59 0.07 -3.57 5.38 -0.00 0.45 -0.53 115.22 119.60 1qnt n HIS 29 Ca 0.06 0.02 -0.17 0.00 -0.00 0.00 0.00 57.72 57.64 1qnt n HIS 29 Cb 0.43 -1.01 -0.07 0.00 -0.00 0.00 0.00 29.99 29.34 1qnt n HIS 29 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1qnt s GLU 30 N -2.51 0.96 -0.20 1.57 2.12 -0.89 -4.71 118.70 115.05 1qnt s GLU 30 Ca -0.37 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.23 1qnt s GLU 30 Cb 0.13 0.45 0.04 0.00 0.26 0.00 0.00 34.13 35.01 1qnt s GLU 30 CO 0.53 -0.28 -0.13 0.42 -0.54 0.00 0.00 175.26 175.26 1qnt s ILE 31 N -1.04 1.84 -0.09 -3.70 1.01 -0.27 -1.87 121.20 117.07 1qnt s ILE 31 Ca -0.10 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.50 1qnt s ILE 31 Cb -0.01 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1qnt s ILE 31 CO 0.08 0.25 -0.21 -0.75 0.00 0.00 0.00 174.94 174.31 1qnt s LYS 32 N 1.32 2.97 -0.35 2.79 2.20 -0.29 -4.26 119.74 124.12 1qnt s LYS 32 Ca -0.01 -0.83 -0.22 0.00 -0.36 0.00 0.00 55.97 54.55 1qnt s LYS 32 Cb -0.16 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 1qnt s LYS 32 CO -0.09 0.27 0.74 -0.51 -0.36 0.00 0.00 175.35 175.40 1qnt s LEU 33 N 0.14 4.15 -0.05 5.43 1.02 -1.26 -0.46 118.68 127.64 1qnt s LEU 33 Ca -0.11 0.38 0.12 0.00 0.02 0.00 0.00 54.13 54.54 1qnt s LEU 33 Cb -0.16 -2.97 -0.23 0.00 0.02 0.00 0.00 46.19 42.85 1qnt s LEU 33 CO 0.06 -0.66 0.64 0.18 0.02 0.00 0.00 176.35 176.59 1qnt n LEU 34 N 6.26 0.89 -3.56 1.79 4.32 -0.35 -4.87 117.00 121.48 1qnt n LEU 34 Ca 0.02 0.40 -0.26 0.00 -0.02 0.00 0.00 56.01 56.15 1qnt n LEU 34 Cb 0.48 0.15 -0.15 0.00 -1.62 0.00 0.00 43.42 42.28 1qnt n LEU 34 CO 0.51 0.40 -0.31 -0.83 -1.22 0.00 0.00 177.39 175.94 1qnt s GLY 35 N -5.13 0.37 -0.84 -0.72 0.00 -1.25 -4.97 107.32 94.77 1qnt s GLY 35 Ca -0.05 -0.65 -0.00 0.00 0.00 0.00 0.00 44.72 44.02 1qnt s GLY 35 CO 0.82 1.98 1.74 1.17 0.00 0.00 0.00 173.10 178.81 1qnt n LYS 36 N 5.27 3.89 -3.64 2.90 0.00 -1.26 -4.13 118.16 121.19 1qnt n LYS 36 Ca -0.06 -4.20 -0.18 0.00 0.00 0.00 0.00 58.31 53.87 1qnt n LYS 36 Cb 0.45 -2.34 -0.05 0.00 0.00 0.00 0.00 35.03 33.10 1qnt n LYS 36 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1qnt n ASP 42 N -0.32 1.68 -4.66 3.14 5.75 -1.26 -5.03 116.55 115.84 1qnt n ASP 42 Ca 0.47 -2.44 -0.24 0.00 -0.01 0.00 0.00 54.79 52.57 1qnt n ASP 42 Cb 0.31 0.54 0.11 0.00 -1.03 0.00 0.00 41.12 41.05 1qnt n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qnt s ALA 43 N -2.68 3.59 -0.25 2.12 0.00 -1.26 -4.20 121.76 119.08 1qnt s ALA 43 Ca 0.09 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.19 1qnt s ALA 43 Cb 0.00 -2.09 0.06 0.00 0.00 0.00 0.00 23.12 21.10 1qnt s ALA 43 CO 0.07 -1.49 0.65 0.54 0.00 0.00 0.00 175.76 175.53 1qnt s VAL 44 N -3.18 -0.00 -0.62 0.00 0.11 -0.92 -4.90 120.40 110.89 1qnt s VAL 44 Ca 0.66 0.00 0.24 0.00 -2.93 0.00 0.00 61.98 59.95 1qnt s VAL 44 Cb -0.06 -0.91 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1qnt s VAL 44 CO 0.45 0.00 1.30 1.05 -3.33 0.00 0.00 175.10 174.57 1qnt h GLU 45 N 5.13 0.00 -6.30 1.54 4.11 -1.93 -2.84 114.58 114.29 1qnt h GLU 45 Ca -0.29 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.59 1qnt h GLU 45 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1qnt h GLU 45 CO 0.09 0.00 0.61 0.08 0.07 0.00 0.00 179.01 179.87 1qnt s VAL 46 N -3.18 4.52 0.12 -1.06 1.01 -1.26 -4.95 120.40 115.60 1qnt s VAL 46 Ca 0.06 1.81 -0.35 0.00 0.00 0.00 0.00 61.98 63.51 1qnt s VAL 46 Cb 0.13 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 1qnt s VAL 46 CO 0.73 0.02 1.55 -2.65 0.00 0.00 0.00 175.10 174.74 1qnt n PRO 47 N 4.97 1.92 -4.32 2.72 -0.02 -1.26 -4.92 135.00 134.10 1qnt n PRO 47 Ca 0.10 0.69 -0.23 0.00 -2.02 0.00 0.00 63.50 62.04 1qnt n PRO 47 Cb 0.48 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.40 1qnt n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qnt s ALA 48 N 1.09 1.94 0.48 3.55 0.00 -1.26 -5.15 121.76 122.40 1qnt s ALA 48 Ca 0.81 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1qnt s ALA 48 Cb -0.74 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1qnt s ALA 48 CO 0.41 0.28 0.71 -1.25 0.00 0.00 0.00 175.76 175.92 1qnt s PRO 49 N -2.46 3.01 0.56 0.00 0.04 -1.26 -4.80 135.00 130.09 1qnt s PRO 49 Ca 0.12 -0.44 -0.19 0.00 0.04 0.00 0.00 61.00 60.53 1qnt s PRO 49 Cb -0.07 -2.51 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1qnt s PRO 49 CO 0.06 -0.36 1.12 0.00 0.04 0.00 0.00 177.00 177.86 1qnt s ALA 50 N -2.63 2.66 0.20 8.56 0.00 -1.26 -4.58 121.76 124.71 1qnt s ALA 50 Ca 0.50 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 1qnt s ALA 50 Cb -0.10 -3.35 0.23 0.00 0.00 0.00 0.00 23.12 19.90 1qnt s ALA 50 CO 0.39 -0.85 1.78 0.00 0.00 0.00 0.00 175.76 177.08 1qnt h ALA 51 N 1.00 0.80 -3.14 0.00 0.00 -1.50 -3.38 119.26 113.04 1qnt h ALA 51 Ca -0.49 0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.79 1qnt h ALA 51 Cb 1.26 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.65 1qnt h ALA 51 CO 0.56 -0.07 -0.85 0.08 0.00 0.00 0.00 179.25 178.98 1qnt s VAL 52 N -6.10 2.15 0.71 0.00 1.01 -1.26 -5.03 120.40 111.88 1qnt s VAL 52 Ca -0.13 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 1qnt s VAL 52 Cb 0.16 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1qnt s VAL 52 CO 0.75 0.47 1.08 -0.76 0.00 0.00 0.00 175.10 176.64 1qnt s LEU 53 N 1.28 2.93 0.00 3.92 1.43 -1.26 -4.89 118.68 122.09 1qnt s LEU 53 Ca 0.04 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1qnt s LEU 53 Cb -0.14 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.98 1qnt s LEU 53 CO -0.12 -1.40 0.00 0.61 0.23 0.00 0.00 176.35 175.68 1qnt n GLY 54 N -2.63 -0.28 0.00 -3.19 0.00 -1.26 -5.07 105.19 92.76 1qnt n GLY 54 Ca 0.07 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1qnt n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnt n GLY 55 N 0.00 -1.21 3.62 -0.02 0.00 -1.26 -4.58 105.19 101.74 1qnt n GLY 55 Ca 0.00 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 1qnt n GLY 55 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qnt n PRO 56 N -0.09 1.13 -0.23 1.61 -0.02 -1.26 -4.73 135.00 131.41 1qnt n PRO 56 Ca 0.00 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 1qnt n PRO 56 Cb 0.00 -2.13 0.15 0.00 -0.02 0.00 0.00 33.50 31.50 1qnt n PRO 56 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qnt h GLU 57 N 0.97 0.22 -0.45 -0.52 4.57 -1.88 -0.58 114.58 116.91 1qnt h GLU 57 Ca -0.47 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 57.77 1qnt h GLU 57 Cb 1.35 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 1qnt h GLU 57 CO 0.53 0.15 0.30 -1.35 -1.18 0.00 0.00 179.01 177.46 1qnt h PRO 58 N 0.23 0.27 -0.24 0.92 0.11 -1.86 -1.29 132.00 130.14 1qnt h PRO 58 Ca 0.38 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.36 1qnt h PRO 58 Cb 0.63 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.67 1qnt h PRO 58 CO -0.50 0.18 -0.29 1.25 -0.21 0.00 0.00 178.00 178.42 1qnt h LEU 59 N 0.28 0.67 -1.04 2.35 6.46 -1.42 -1.93 115.31 120.68 1qnt h LEU 59 Ca 0.20 -0.50 -0.07 0.00 -0.12 0.00 0.00 57.88 57.39 1qnt h LEU 59 Cb 0.44 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1qnt h LEU 59 CO -0.04 1.03 -0.12 0.24 -0.62 0.00 0.00 178.44 178.93 1qnt h MET 60 N 0.32 0.55 -0.11 1.25 2.86 -1.07 -1.62 114.93 117.12 1qnt h MET 60 Ca 0.03 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1qnt h MET 60 Cb 0.87 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1qnt h MET 60 CO 0.07 0.66 -0.54 1.96 1.06 0.00 0.00 176.91 180.12 1qnt h GLN 61 N 0.51 0.30 -0.37 1.72 4.20 -1.21 -2.12 115.11 118.14 1qnt h GLN 61 Ca 0.09 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 1qnt h GLN 61 Cb 0.50 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1qnt h GLN 61 CO 0.03 0.77 -0.21 0.00 -0.67 0.00 0.00 178.83 178.75 1qnt h THR 63 N 0.59 1.25 -0.52 0.00 1.35 -1.22 -0.64 112.91 113.72 1qnt h THR 63 Ca 0.08 -1.08 -0.12 0.00 -0.55 0.00 0.00 66.41 64.74 1qnt h THR 63 Cb 0.76 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.01 1qnt h THR 63 CO 0.06 0.39 -0.13 0.00 -0.25 0.00 0.00 175.52 175.59 1qnt h ALA 64 N 1.15 0.78 0.11 6.62 0.00 -1.25 -1.90 119.26 124.78 1qnt h ALA 64 Ca 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1qnt h ALA 64 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qnt h ALA 64 CO 0.02 0.67 -0.05 2.35 0.00 0.00 0.00 179.25 182.24 1qnt h TRP 65 N 0.88 -0.14 -0.90 0.00 7.01 -0.65 -2.23 115.95 119.92 1qnt h TRP 65 Ca 0.13 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1qnt h TRP 65 Cb 0.69 0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.75 1qnt h TRP 65 CO 0.05 0.08 0.52 -0.07 -2.79 0.00 0.00 178.44 176.23 1qnt h LEU 66 N -0.34 1.10 -0.56 0.65 3.38 -1.11 0.13 115.31 118.55 1qnt h LEU 66 Ca -0.02 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1qnt h LEU 66 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1qnt h LEU 66 CO 0.03 0.86 0.37 -1.13 0.09 0.00 0.00 178.44 178.66 1qnt h ASN 67 N 1.25 0.65 -0.46 -0.43 -1.24 -1.27 -1.78 115.58 112.30 1qnt h ASN 67 Ca 0.32 -0.02 -0.09 0.00 0.71 0.00 0.00 56.30 57.23 1qnt h ASN 67 Cb -0.02 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 1qnt h ASN 67 CO -0.06 0.47 -0.06 0.00 -1.29 0.00 0.00 177.43 176.50 1qnt h ALA 68 N 1.20 0.63 -0.46 1.57 0.00 -0.86 0.93 119.26 122.26 1qnt h ALA 68 Ca 0.21 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1qnt h ALA 68 Cb -0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1qnt h ALA 68 CO -0.04 0.47 0.13 -0.92 0.00 0.00 0.00 179.25 178.89 1qnt h TYR 69 N 0.69 0.23 0.20 0.00 3.20 -0.33 0.48 116.97 121.44 1qnt h TYR 69 Ca 0.12 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.69 1qnt h TYR 69 Cb 0.58 -0.03 0.02 0.00 1.54 0.00 0.00 36.73 38.84 1qnt h TYR 69 CO 0.04 0.06 -1.53 0.74 -1.64 0.00 0.00 178.16 175.83 1qnt h PHE 70 N 0.29 0.76 -0.00 -3.82 0.04 -1.28 -3.37 116.94 109.56 1qnt h PHE 70 Ca 0.22 -0.55 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1qnt h PHE 70 Cb 0.25 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1qnt h PHE 70 CO -0.18 1.53 -0.34 0.72 -0.60 0.00 0.00 178.31 179.44 1qnt n HIS 71 N -3.61 0.00 -2.77 -0.55 8.25 0.31 -4.69 115.22 112.16 1qnt n HIS 71 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 1qnt n HIS 71 Cb 1.08 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.22 1qnt n HIS 71 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1qnt n GLN 72 N -0.98 1.11 -0.05 -0.41 7.27 0.06 -4.97 117.38 119.40 1qnt n GLN 72 Ca 0.02 -2.97 0.19 0.00 0.07 0.00 0.00 57.00 54.31 1qnt n GLN 72 Cb 0.14 -1.12 0.63 0.00 2.41 0.00 0.00 30.24 32.30 1qnt n GLN 72 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1qnt h PRO 73 N 2.83 0.12 -0.14 3.69 0.13 -1.44 -0.64 132.00 136.57 1qnt h PRO 73 Ca -0.09 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1qnt h PRO 73 Cb 1.15 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1qnt h PRO 73 CO 0.39 0.08 0.21 1.05 -0.23 0.00 0.00 178.00 179.50 1qnt h GLU 74 N 0.13 0.00 -0.21 0.86 9.09 -1.93 -1.55 114.58 120.97 1qnt h GLU 74 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 1qnt h GLU 74 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1qnt h GLU 74 CO -0.04 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.02 1qnt n ALA 75 N -2.21 2.49 -0.37 1.06 0.00 -0.25 -4.76 120.51 116.46 1qnt n ALA 75 Ca 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.62 1qnt n ALA 75 Cb 0.32 -0.47 0.14 0.00 0.00 0.00 0.00 19.45 19.44 1qnt n ALA 75 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1qnt h ILE 76 N 1.31 1.16 0.00 0.00 6.09 -1.29 -1.51 117.51 123.27 1qnt h ILE 76 Ca 0.00 -0.42 0.00 0.00 -1.37 0.00 0.00 64.86 63.07 1qnt h ILE 76 Cb 1.02 -0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.13 1qnt h ILE 76 CO 0.09 0.23 0.00 -0.33 -3.07 0.00 0.00 178.15 175.06 1qnt h GLU 77 N 1.23 0.00 0.00 2.19 4.39 -1.86 -2.22 114.58 118.32 1qnt h GLU 77 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1qnt h GLU 77 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1qnt h GLU 77 CO -0.13 0.00 -0.35 0.39 -1.16 0.00 0.00 179.01 177.76 1qnt n GLU 78 N -2.47 0.26 -3.28 2.33 1.02 -0.57 -4.85 120.64 113.08 1qnt n GLU 78 Ca -0.01 0.13 -0.38 0.00 -0.02 0.00 0.00 57.16 56.88 1qnt n GLU 78 Cb 0.10 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 29.74 1qnt n GLU 78 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1qnt s PHE 79 N -3.13 3.57 0.27 -0.32 0.40 -0.84 -5.05 117.98 112.88 1qnt s PHE 79 Ca 0.08 0.99 -0.29 0.00 -0.60 0.00 0.00 56.93 57.12 1qnt s PHE 79 Cb 0.13 -2.57 -0.09 0.00 0.51 0.00 0.00 43.02 41.00 1qnt s PHE 79 CO 0.66 0.23 1.18 -1.25 0.70 0.00 0.00 175.22 176.74 1qnt s PRO 80 N 0.38 4.53 -0.02 0.24 0.04 -1.26 -5.01 135.00 133.90 1qnt s PRO 80 Ca 0.28 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 1qnt s PRO 80 Cb -0.16 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1qnt s PRO 80 CO 0.13 0.04 0.88 0.08 0.04 0.00 0.00 177.00 178.17 1qnt s VAL 81 N -0.90 4.93 0.85 -0.36 1.01 -1.26 -4.86 120.40 119.81 1qnt s VAL 81 Ca 0.48 1.85 -0.11 0.00 0.00 0.00 0.00 61.98 64.19 1qnt s VAL 81 Cb -0.34 -4.22 0.10 0.00 0.00 0.00 0.00 36.38 31.92 1qnt s VAL 81 CO 0.43 0.19 1.09 -2.16 0.00 0.00 0.00 175.10 174.65 1qnt s PRO 82 N 0.94 1.67 0.56 2.72 0.04 -1.26 -4.98 135.00 134.67 1qnt s PRO 82 Ca 0.47 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 1qnt s PRO 82 Cb -0.20 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1qnt s PRO 82 CO 0.25 -2.00 1.25 0.00 0.04 0.00 0.00 177.00 176.53 1qnt s ALA 83 N -2.91 2.70 -0.07 8.56 0.00 -1.26 -4.83 121.76 123.95 1qnt s ALA 83 Ca 0.63 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.70 1qnt s ALA 83 Cb -0.18 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1qnt s ALA 83 CO 0.57 -1.15 -0.09 -0.51 0.00 0.00 0.00 175.76 174.58 1qnt s LEU 84 N -3.72 3.05 -0.33 0.00 1.43 -1.26 -0.32 118.68 117.53 1qnt s LEU 84 Ca 0.73 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1qnt s LEU 84 Cb -0.33 -1.65 0.11 0.00 0.03 0.00 0.00 46.19 44.34 1qnt s LEU 84 CO 0.38 0.35 0.14 -2.28 0.23 0.00 0.00 176.35 175.17 1qnt s HIS 85 N -0.74 1.28 -0.13 0.29 2.46 0.30 -4.76 115.29 114.00 1qnt s HIS 85 Ca 0.11 -1.62 -0.21 0.00 0.47 0.00 0.00 55.06 53.81 1qnt s HIS 85 Cb -0.11 -1.43 0.05 0.00 -0.13 0.00 0.00 32.58 30.96 1qnt s HIS 85 CO 0.01 -0.85 0.53 -1.58 -2.47 0.00 0.00 174.74 170.39 1qnt s HIS 86 N 1.46 -0.53 0.52 3.88 5.04 -1.26 -4.02 115.29 120.37 1qnt s HIS 86 Ca 0.12 1.14 0.29 0.00 -1.54 0.00 0.00 55.06 55.07 1qnt s HIS 86 Cb -0.19 0.24 1.41 0.00 0.04 0.00 0.00 32.58 34.08 1qnt s HIS 86 CO -0.20 -0.39 1.89 -1.00 -2.34 0.00 0.00 174.74 172.70 1qnt h PRO 87 N 4.40 0.06 0.00 2.88 0.13 -1.98 0.35 132.00 137.84 1qnt h PRO 87 Ca -0.28 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1qnt h PRO 87 Cb 1.16 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1qnt h PRO 87 CO 0.27 0.04 -0.07 -0.24 -0.23 0.00 0.00 178.00 177.77 1qnt h VAL 88 N 0.06 0.59 -0.00 1.56 3.04 -1.95 -1.66 116.25 117.89 1qnt h VAL 88 Ca 0.42 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1qnt h VAL 88 Cb 1.56 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 1qnt h VAL 88 CO -0.03 0.06 -0.78 0.49 -1.01 0.00 0.00 177.57 176.31 1qnt n PHE 89 N -3.80 0.00 0.26 3.17 3.72 0.09 -4.35 117.46 116.55 1qnt n PHE 89 Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 1qnt n PHE 89 Cb 0.16 -0.03 0.15 0.00 -0.94 0.00 0.00 39.48 38.82 1qnt n PHE 89 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1qnt h GLN 90 N 0.71 0.00 -5.40 -1.08 4.20 -1.02 -3.47 115.11 109.06 1qnt h GLN 90 Ca 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.30 1qnt h GLN 90 Cb 0.57 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.16 1qnt h GLN 90 CO 0.00 0.00 -0.76 1.14 -0.67 0.00 0.00 178.83 178.54 1qnt s GLN 91 N -3.24 1.00 0.13 1.46 0.00 -1.22 -5.11 119.66 112.68 1qnt s GLN 91 Ca 0.05 -1.21 -0.31 0.00 -0.00 0.00 0.00 55.36 53.89 1qnt s GLN 91 Cb 0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 33.01 32.13 1qnt s GLN 91 CO 0.70 0.17 1.27 -2.00 0.00 0.00 0.00 175.29 175.43 1qnt s GLU 92 N -2.60 4.41 0.11 9.60 2.56 -1.26 -4.83 118.70 126.69 1qnt s GLU 92 Ca 0.08 1.92 -0.26 0.00 0.00 0.00 0.00 54.97 56.71 1qnt s GLU 92 Cb -0.05 -3.27 0.08 0.00 2.00 0.00 0.00 34.13 32.88 1qnt s GLU 92 CO 0.03 -0.26 0.80 -1.54 -0.56 0.00 0.00 175.26 173.73 1qnt s SER 93 N 0.73 -0.37 0.28 -1.70 1.04 -1.26 -5.00 113.70 107.41 1qnt s SER 93 Ca 0.59 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.86 1qnt s SER 93 Cb -0.33 0.50 0.39 0.00 0.10 0.00 0.00 66.02 66.68 1qnt s SER 93 CO 0.33 -0.86 1.79 0.15 0.98 0.00 0.00 173.24 175.63 1qnt h PHE 94 N 2.00 0.79 -0.55 5.02 3.57 -1.99 -2.24 116.94 123.54 1qnt h PHE 94 Ca -0.26 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.16 1qnt h PHE 94 Cb 1.26 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1qnt h PHE 94 CO 0.29 0.73 0.34 1.15 -2.23 0.00 0.00 178.31 178.59 1qnt h THR 95 N 0.71 1.09 -0.40 4.41 2.02 -1.95 -0.78 112.91 118.01 1qnt h THR 95 Ca 0.14 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1qnt h THR 95 Cb 0.40 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1qnt h THR 95 CO 0.01 0.13 0.14 -0.09 0.37 0.00 0.00 175.52 176.08 1qnt h ARG 96 N 0.69 0.61 -0.48 6.66 2.43 -1.71 -0.55 114.38 122.04 1qnt h ARG 96 Ca 0.21 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1qnt h ARG 96 Cb -0.02 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 1qnt h ARG 96 CO -0.08 0.60 0.15 1.96 -1.51 0.00 0.00 179.97 181.09 1qnt h GLN 97 N 0.50 0.30 -0.24 0.20 4.20 -0.99 -0.16 115.11 118.94 1qnt h GLN 97 Ca 0.13 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1qnt h GLN 97 Cb 0.23 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1qnt h GLN 97 CO -0.01 0.20 0.03 0.28 -0.67 0.00 0.00 178.83 178.66 1qnt h VAL 98 N 0.31 1.23 -0.68 -0.54 2.07 -0.92 -1.75 116.25 115.98 1qnt h VAL 98 Ca 0.23 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 1qnt h VAL 98 Cb 0.26 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1qnt h VAL 98 CO -0.25 0.25 0.20 -0.07 0.02 0.00 0.00 177.57 177.72 1qnt h LEU 99 N 0.19 1.00 -0.63 2.57 3.38 -0.82 -1.55 115.31 119.46 1qnt h LEU 99 Ca 0.07 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1qnt h LEU 99 Cb 0.34 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1qnt h LEU 99 CO 0.01 0.95 -0.30 -0.50 0.09 0.00 0.00 178.44 178.68 1qnt h TRP 100 N 1.00 0.87 -0.46 1.13 6.55 -1.00 -1.64 115.95 122.40 1qnt h TRP 100 Ca 0.22 -0.22 -0.08 0.00 0.95 0.00 0.00 58.89 59.75 1qnt h TRP 100 Cb 0.32 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.40 1qnt h TRP 100 CO 0.02 0.96 -0.04 0.87 -1.05 0.00 0.00 178.44 179.20 1qnt h LYS 101 N 0.64 0.84 -0.22 0.49 1.79 -1.17 -1.46 116.57 117.48 1qnt h LYS 101 Ca 0.07 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1qnt h LYS 101 Cb 0.83 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1qnt h LYS 101 CO 0.07 0.91 0.14 1.25 -1.08 0.00 0.00 179.45 180.75 1qnt h LEU 102 N 0.68 0.25 -0.82 2.94 5.85 -1.18 -0.01 115.31 123.01 1qnt h LEU 102 Ca 0.12 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1qnt h LEU 102 Cb 0.56 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1qnt h LEU 102 CO 0.03 0.18 0.53 0.25 -0.34 0.00 0.00 178.44 179.10 1qnt h LEU 103 N 0.29 0.95 -0.09 2.25 5.85 -1.18 -2.75 115.31 120.63 1qnt h LEU 103 Ca 0.08 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1qnt h LEU 103 Cb -0.03 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1qnt h LEU 103 CO -0.02 0.69 -0.31 0.50 -0.34 0.00 0.00 178.44 178.97 1qnt h LYS 104 N 1.11 0.36 0.12 1.25 3.64 -0.96 -3.41 116.57 118.69 1qnt h LYS 104 Ca 0.30 -0.27 -0.28 0.00 -1.27 0.00 0.00 60.65 59.13 1qnt h LYS 104 Cb -0.11 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1qnt h LYS 104 CO -0.06 0.90 -1.39 0.28 -2.27 0.00 0.00 179.45 176.91 1qnt h VAL 105 N -0.11 1.07 -3.58 2.00 2.07 -1.00 -3.47 116.25 113.23 1qnt h VAL 105 Ca -0.01 -2.42 -0.60 0.00 0.82 0.00 0.00 66.70 64.48 1qnt h VAL 105 Cb 0.94 2.76 -0.10 0.00 -1.52 0.00 0.00 31.29 33.37 1qnt h VAL 105 CO 0.07 0.72 0.52 -0.69 0.02 0.00 0.00 177.57 178.20 1qnt s VAL 106 N -2.48 4.58 0.74 2.57 1.01 -1.04 -5.05 120.40 120.74 1qnt s VAL 106 Ca -0.19 0.88 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 1qnt s VAL 106 Cb 0.04 -4.34 0.09 0.00 0.00 0.00 0.00 36.38 32.17 1qnt s VAL 106 CO 0.78 -0.64 1.06 -1.59 0.00 0.00 0.00 175.10 174.71 1qnt s LYS 107 N 3.48 1.93 0.16 2.72 -2.85 -1.26 -4.91 119.74 119.00 1qnt s LYS 107 Ca 0.35 -0.35 -0.31 0.00 -1.00 0.00 0.00 55.97 54.66 1qnt s LYS 107 Cb -0.12 -2.13 -0.11 0.00 -2.06 0.00 0.00 37.83 33.42 1qnt s LYS 107 CO 0.21 -1.43 1.69 0.12 0.10 0.00 0.00 175.35 176.04 1qnt s PHE 108 N -3.33 2.74 0.00 1.78 2.19 -1.26 -2.03 117.98 118.07 1qnt s PHE 108 Ca 0.63 0.36 0.00 0.00 0.33 0.00 0.00 56.93 58.24 1qnt s PHE 108 Cb -0.09 -4.06 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 1qnt s PHE 108 CO 0.46 -4.08 0.00 0.41 1.83 0.00 0.00 175.22 173.83 1qnt n GLY 109 N 3.96 1.47 3.91 13.12 0.00 -1.26 -5.05 105.19 121.35 1qnt n GLY 109 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1qnt n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qnt s GLU 110 N -0.66 3.40 0.15 1.61 2.12 -0.86 -4.94 118.70 119.52 1qnt s GLU 110 Ca 0.00 -0.50 0.06 0.00 0.36 0.00 0.00 54.97 54.89 1qnt s GLU 110 Cb 0.00 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1qnt s GLU 110 CO 0.00 0.59 -0.13 0.14 -0.54 0.00 0.00 175.26 175.32 1qnt s VAL 111 N -1.56 1.38 0.01 3.70 -7.23 -1.26 -4.78 120.40 110.66 1qnt s VAL 111 Ca 0.34 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1qnt s VAL 111 Cb -0.12 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1qnt s VAL 111 CO 0.28 -0.56 -0.02 -0.51 -0.31 0.00 0.00 175.10 173.98 1qnt s ILE 112 N -2.68 0.12 0.58 -0.62 2.07 -0.44 -5.02 121.20 115.21 1qnt s ILE 112 Ca 0.14 -0.51 -0.08 0.00 -1.41 0.00 0.00 60.65 58.79 1qnt s ILE 112 Cb -0.02 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.36 1qnt s ILE 112 CO 0.03 -0.25 0.94 -0.94 -1.91 0.00 0.00 174.94 172.81 1qnt s SER 113 N -0.79 6.02 0.31 4.50 1.04 -1.26 -0.89 113.70 122.62 1qnt s SER 113 Ca -0.08 1.09 0.01 0.00 0.48 0.00 0.00 55.95 57.46 1qnt s SER 113 Cb -0.05 -2.19 0.55 0.00 0.10 0.00 0.00 66.02 64.43 1qnt s SER 113 CO -0.00 -0.87 1.91 1.88 0.98 0.00 0.00 173.24 177.13 1qnt h TYR 114 N -0.16 1.03 -0.41 5.02 0.05 -1.82 -1.72 116.97 118.96 1qnt h TYR 114 Ca -0.45 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.28 1qnt h TYR 114 Cb 1.22 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1qnt h TYR 114 CO 0.58 0.53 -0.03 1.96 -1.05 0.00 0.00 178.16 180.15 1qnt h GLN 115 N 1.00 0.74 -0.65 4.88 7.50 -1.88 -1.98 115.11 124.71 1qnt h GLN 115 Ca 0.39 -0.25 -0.08 0.00 0.50 0.00 0.00 58.65 59.21 1qnt h GLN 115 Cb 0.23 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.68 1qnt h GLN 115 CO -0.15 0.83 0.09 1.96 -1.50 0.00 0.00 178.83 180.06 1qnt h GLN 116 N 0.56 1.09 -0.25 1.46 4.20 -1.82 -1.52 115.11 118.83 1qnt h GLN 116 Ca 0.11 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.39 1qnt h GLN 116 Cb 0.52 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1qnt h GLN 116 CO 0.03 1.01 -0.40 1.25 -0.67 0.00 0.00 178.83 180.05 1qnt h LEU 117 N 1.02 0.63 -0.58 1.46 5.85 -1.29 -0.77 115.31 121.63 1qnt h LEU 117 Ca 0.20 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1qnt h LEU 117 Cb 0.46 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1qnt h LEU 117 CO 0.02 0.96 0.14 0.00 -0.34 0.00 0.00 178.44 179.21 1qnt h ALA 118 N 1.07 0.77 -0.52 1.25 0.00 -1.15 -1.45 119.26 119.22 1qnt h ALA 118 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1qnt h ALA 118 Cb 0.91 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1qnt h ALA 118 CO 0.08 0.48 0.10 0.00 0.00 0.00 0.00 179.25 179.90 1qnt h ALA 119 N 1.03 0.69 -0.16 0.00 0.00 -1.08 -1.23 119.26 118.51 1qnt h ALA 119 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1qnt h ALA 119 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qnt h ALA 119 CO 0.00 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.60 1qnt h LEU 120 N 0.74 0.20 -0.65 0.00 3.38 -0.86 -1.07 115.31 117.04 1qnt h LEU 120 Ca 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1qnt h LEU 120 Cb 0.38 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1qnt h LEU 120 CO 0.01 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1qnt n ALA 121 N -2.50 2.49 -0.56 1.53 0.00 -0.57 -4.90 120.51 116.00 1qnt n ALA 121 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1qnt n ALA 121 Cb 0.16 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1qnt n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qnt n GLY 122 N 0.73 0.74 2.79 0.00 0.00 -0.40 -4.97 105.19 104.08 1qnt n GLY 122 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1qnt n GLY 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnt s ASN 123 N -2.35 0.91 0.64 1.61 2.47 -0.51 -5.00 114.94 112.71 1qnt s ASN 123 Ca 0.00 -1.57 0.31 0.00 0.42 0.00 0.00 52.86 52.02 1qnt s ASN 123 Cb 0.00 0.68 1.70 0.00 -1.45 0.00 0.00 41.25 42.17 1qnt s ASN 123 CO 0.00 -0.24 1.99 -0.65 -3.72 0.00 0.00 177.10 174.48 1qnt h PRO 124 N 6.97 0.00 -0.02 0.43 0.11 -1.83 -1.58 132.00 136.08 1qnt h PRO 124 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1qnt h PRO 124 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qnt h PRO 124 CO 0.19 0.00 -0.02 1.63 -0.21 0.00 0.00 178.00 179.59 1qnt n LYS 125 N -3.16 1.90 -1.15 1.05 4.01 -1.26 -4.46 118.16 115.09 1qnt n LYS 125 Ca -0.00 -1.35 -0.26 0.00 -0.51 0.00 0.00 58.31 56.19 1qnt n LYS 125 Cb 0.38 -1.47 0.10 0.00 -0.51 0.00 0.00 35.03 33.53 1qnt n LYS 125 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qnt n ALA 126 N 0.63 5.69 0.14 7.82 0.00 -0.59 -4.63 120.51 129.57 1qnt n ALA 126 Ca 0.16 -2.80 0.05 0.00 0.00 0.00 0.00 53.44 50.85 1qnt n ALA 126 Cb 0.46 -1.56 0.51 0.00 0.00 0.00 0.00 19.45 18.85 1qnt n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qnt h ALA 127 N 1.58 1.77 -0.34 0.00 0.00 -1.81 -1.81 119.26 118.66 1qnt h ALA 127 Ca 0.54 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 1qnt h ALA 127 Cb 1.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1qnt h ALA 127 CO 1.21 0.18 -0.17 -0.09 0.00 0.00 0.00 179.25 180.39 1qnt h ARG 128 N 0.23 0.71 0.00 0.00 2.43 -1.92 -2.29 114.38 113.54 1qnt h ARG 128 Ca 0.06 -0.31 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 1qnt h ARG 128 Cb 0.08 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1qnt h ARG 128 CO -0.00 0.92 -0.32 0.00 -1.51 0.00 0.00 179.97 179.05 1qnt h ALA 129 N 0.78 1.30 -0.35 2.80 0.00 -1.81 -1.27 119.26 120.71 1qnt h ALA 129 Ca 0.08 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1qnt h ALA 129 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1qnt h ALA 129 CO 0.05 0.40 -0.30 0.28 0.00 0.00 0.00 179.25 179.68 1qnt h VAL 130 N 0.00 1.28 -0.82 0.00 2.07 -1.15 0.51 116.25 118.15 1qnt h VAL 130 Ca -0.00 -1.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 1qnt h VAL 130 Cb 0.64 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 1qnt h VAL 130 CO 0.04 0.48 0.36 1.23 0.02 0.00 0.00 177.57 179.70 1qnt h GLY 131 N 0.62 1.29 1.51 2.17 0.00 -0.89 -2.20 103.07 105.57 1qnt h GLY 131 Ca 0.06 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1qnt h GLY 131 CO 0.08 0.64 -0.21 -1.33 0.00 0.00 0.00 176.54 175.71 1qnt h GLY 132 N 1.19 0.62 1.88 4.60 0.00 -0.97 -2.95 103.07 107.44 1qnt h GLY 132 Ca 0.28 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1qnt h GLY 132 CO -0.03 0.46 -0.13 0.00 0.00 0.00 0.00 176.54 176.84 1qnt h ALA 133 N 1.26 1.61 -0.33 3.60 0.00 -0.28 -2.44 119.26 122.69 1qnt h ALA 133 Ca 0.08 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1qnt h ALA 133 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1qnt h ALA 133 CO 0.05 0.29 0.22 0.52 0.00 0.00 0.00 179.25 180.32 1qnt h MET 134 N 0.14 0.31 0.00 0.00 2.86 -1.28 -0.85 114.93 116.11 1qnt h MET 134 Ca 0.03 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1qnt h MET 134 Cb 0.32 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1qnt h MET 134 CO 0.02 0.20 -0.08 0.00 1.06 0.00 0.00 176.91 178.11 1qnt h ARG 135 N 0.32 0.00 -0.34 1.72 3.08 -1.56 -2.42 114.38 115.17 1qnt h ARG 135 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1qnt h ARG 135 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1qnt h ARG 135 CO -0.03 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 1qnt n GLY 136 N -1.09 0.73 3.63 0.04 0.00 -0.32 -4.88 105.19 103.30 1qnt n GLY 136 Ca -0.03 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1qnt n GLY 136 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnt s ASN 137 N -1.13 6.53 0.17 1.61 2.47 -0.91 -4.88 114.94 118.81 1qnt s ASN 137 Ca 0.28 1.32 0.26 0.00 0.42 0.00 0.00 52.86 55.14 1qnt s ASN 137 Cb 0.15 -2.54 0.74 0.00 -1.45 0.00 0.00 41.25 38.15 1qnt s ASN 137 CO 0.20 -1.18 1.69 -0.81 -3.72 0.00 0.00 177.10 173.28 1qnt n PRO 138 N 7.51 0.24 -3.54 0.43 -0.04 -1.26 -4.39 135.00 133.96 1qnt n PRO 138 Ca 0.16 0.17 -0.27 0.00 -0.04 0.00 0.00 63.50 63.53 1qnt n PRO 138 Cb 0.46 -1.76 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 1qnt n PRO 138 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1qnt n VAL 139 N -2.17 1.18 -0.96 0.52 0.24 -1.26 -1.11 118.33 114.77 1qnt n VAL 139 Ca 0.05 -4.68 -0.33 0.00 -2.04 0.00 0.00 64.34 57.34 1qnt n VAL 139 Cb 0.42 -2.05 0.13 0.00 -1.47 0.00 0.00 33.84 30.88 1qnt n VAL 139 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1qnt n PRO 140 N 1.56 -0.05 0.00 7.34 -0.02 -1.26 -1.58 135.00 140.99 1qnt n PRO 140 Ca 0.25 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1qnt n PRO 140 Cb 0.42 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1qnt n PRO 140 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1qnt n ILE 141 N -3.47 0.00 0.06 4.25 5.41 -1.26 -4.38 119.36 119.97 1qnt n ILE 141 Ca 0.11 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.75 1qnt n ILE 141 Cb 0.51 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.39 1qnt n ILE 141 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1qnt h LEU 142 N 0.00 -0.23 -8.39 1.39 5.85 -2.01 -3.14 115.31 108.78 1qnt h LEU 142 Ca 0.00 0.03 -0.73 0.00 0.84 0.00 0.00 57.88 58.03 1qnt h LEU 142 Cb 0.00 0.09 -0.22 0.00 0.37 0.00 0.00 40.66 40.90 1qnt h LEU 142 CO 0.00 -0.12 -0.39 -0.63 -0.34 0.00 0.00 178.44 176.95 1qnt s ILE 143 N -6.17 5.17 -0.47 4.05 1.01 -0.62 -4.96 121.20 119.22 1qnt s ILE 143 Ca -0.14 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.53 1qnt s ILE 143 Cb 0.07 -3.97 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 1qnt s ILE 143 CO 0.66 -0.42 1.66 -0.81 0.00 0.00 0.00 174.94 176.03 1qnt n PRO 144 N 5.16 1.02 0.24 2.79 -0.04 -1.19 -4.48 135.00 138.51 1qnt n PRO 144 Ca -0.12 -1.18 0.16 0.00 -0.04 0.00 0.00 63.50 62.33 1qnt n PRO 144 Cb 0.45 -2.42 0.76 0.00 -0.04 0.00 0.00 33.50 32.26 1qnt n PRO 144 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qnt h HIS 146 N 0.00 0.00 -0.01 0.00 2.07 -1.95 -2.81 115.15 112.45 1qnt h HIS 146 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1qnt h HIS 146 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 1qnt h HIS 146 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 1qnt n ARG 147 N -2.62 1.40 -3.31 5.12 1.74 -0.44 -4.73 116.66 113.82 1qnt n ARG 147 Ca 0.02 -0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 56.10 1qnt n ARG 147 Cb 0.30 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.18 1qnt n ARG 147 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qnt s VAL 148 N -1.99 5.07 0.38 1.55 1.01 -1.06 -1.32 120.40 124.03 1qnt s VAL 148 Ca 0.41 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.37 1qnt s VAL 148 Cb 0.21 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1qnt s VAL 148 CO 0.34 -0.30 0.10 1.33 0.00 0.00 0.00 175.10 176.57 1qnt n VAL 149 N 5.42 0.00 -2.77 2.92 0.24 -0.07 -4.87 118.33 119.20 1qnt n VAL 149 Ca -0.07 -2.08 -0.37 0.00 -2.04 0.00 0.00 64.34 59.78 1qnt n VAL 149 Cb 0.48 0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 33.45 1qnt n VAL 149 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qnt n SER 151 N 0.59 0.55 0.16 0.00 3.41 -1.26 -1.69 113.62 115.38 1qnt n SER 151 Ca 0.02 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1qnt n SER 151 Cb 0.50 -0.76 0.37 0.00 -0.26 0.00 0.00 64.21 64.06 1qnt n SER 151 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1qnt h SER 152 N 0.00 0.00 0.00 4.04 4.64 -2.04 -3.46 113.55 116.73 1qnt h SER 152 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qnt h SER 152 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1qnt h SER 152 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1qnt n GLY 153 N 0.93 2.19 3.76 -0.77 0.00 -0.68 -5.08 105.19 105.54 1qnt n GLY 153 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1qnt n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qnt s ALA 154 N -2.32 2.94 0.27 4.61 0.00 -1.26 -4.86 121.76 121.13 1qnt s ALA 154 Ca 0.00 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.05 1qnt s ALA 154 Cb 0.00 -3.44 0.38 0.00 0.00 0.00 0.00 23.12 20.06 1qnt s ALA 154 CO 0.00 -0.87 1.68 -0.39 0.00 0.00 0.00 175.76 176.18 1qnt h VAL 155 N 1.77 1.30 0.00 0.00 -1.51 -1.97 -1.76 116.25 114.07 1qnt h VAL 155 Ca -0.50 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.49 1qnt h VAL 155 Cb 1.26 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1qnt h VAL 155 CO 0.59 0.45 0.00 0.61 -1.23 0.00 0.00 177.57 178.00 1qnt n GLY 156 N -0.18 -0.32 3.80 5.19 0.00 -1.26 -4.17 105.19 108.24 1qnt n GLY 156 Ca -0.01 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1qnt n GLY 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qnt s ASN 157 N -1.14 4.61 -0.21 1.61 3.04 -1.26 -4.90 114.94 116.70 1qnt s ASN 157 Ca 0.00 1.44 -0.17 0.00 0.04 0.00 0.00 52.86 54.17 1qnt s ASN 157 Cb 0.00 -2.20 0.06 0.00 -1.54 0.00 0.00 41.25 37.57 1qnt s ASN 157 CO 0.00 -1.91 0.54 -0.47 -3.04 0.00 0.00 177.10 172.22 1qnt s TYR 158 N -3.09 -0.64 0.53 0.43 5.04 -1.26 -5.02 117.35 113.34 1qnt s TYR 158 Ca 0.60 1.50 0.21 0.00 -2.44 0.00 0.00 57.07 56.94 1qnt s TYR 158 Cb -0.15 0.25 1.38 0.00 0.35 0.00 0.00 41.96 43.80 1qnt s TYR 158 CO 0.55 -0.32 2.09 0.66 -1.34 0.00 0.00 175.55 177.19 1qnt h SER 159 N 5.70 0.00 -0.41 4.32 4.64 -1.97 -1.14 113.55 124.68 1qnt h SER 159 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1qnt h SER 159 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1qnt h SER 159 CO 0.18 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1qnt n GLY 160 N -1.56 1.56 0.00 -0.77 0.00 -1.26 -5.05 105.19 98.11 1qnt n GLY 160 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1qnt n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qnt n GLY 161 N 1.45 2.24 0.28 -0.02 0.00 -0.43 -4.49 105.19 104.22 1qnt n GLY 161 Ca 0.19 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 1qnt n GLY 161 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qnt h LEU 162 N 0.00 0.69 -0.56 0.99 5.85 -1.91 -2.62 115.31 117.76 1qnt h LEU 162 Ca 0.00 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 1qnt h LEU 162 Cb 0.00 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 1qnt h LEU 162 CO 0.00 0.45 0.22 0.00 -0.34 0.00 0.00 178.44 178.78 1qnt h ALA 163 N 1.35 0.71 -0.43 1.25 0.00 -1.98 -0.64 119.26 119.52 1qnt h ALA 163 Ca 0.32 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 1qnt h ALA 163 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qnt h ALA 163 CO -0.16 -0.17 -0.25 0.28 0.00 0.00 0.00 179.25 178.96 1qnt h VAL 164 N 0.42 1.27 -0.54 0.00 2.07 -1.73 -1.17 116.25 116.58 1qnt h VAL 164 Ca 0.27 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1qnt h VAL 164 Cb 0.28 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1qnt h VAL 164 CO -0.25 0.47 0.25 0.50 0.02 0.00 0.00 177.57 178.57 1qnt h LYS 165 N 0.77 0.78 -0.58 1.57 3.64 -1.07 -0.88 116.57 120.81 1qnt h LYS 165 Ca 0.10 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1qnt h LYS 165 Cb 0.80 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1qnt h LYS 165 CO 0.07 0.65 0.14 0.93 -2.27 0.00 0.00 179.45 178.97 1qnt h GLU 166 N 0.73 0.89 -0.24 1.90 5.08 -1.01 -1.28 114.58 120.65 1qnt h GLU 166 Ca 0.18 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1qnt h GLU 166 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1qnt h GLU 166 CO -0.02 0.80 0.11 2.35 -1.00 0.00 0.00 179.01 181.24 1qnt h TRP 167 N 0.86 0.36 -0.57 4.33 7.01 -0.67 -0.73 115.95 126.53 1qnt h TRP 167 Ca 0.19 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 1qnt h TRP 167 Cb 0.31 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1qnt h TRP 167 CO 0.02 0.37 0.23 -0.07 -2.79 0.00 0.00 178.44 176.20 1qnt h LEU 168 N 0.25 0.79 -0.63 0.65 3.38 -0.89 -0.39 115.31 118.46 1qnt h LEU 168 Ca 0.08 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1qnt h LEU 168 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1qnt h LEU 168 CO -0.01 0.74 -0.14 -0.07 0.09 0.00 0.00 178.44 179.05 1qnt h LEU 169 N 0.78 0.94 -0.67 1.67 3.38 -1.14 -1.85 115.31 118.43 1qnt h LEU 169 Ca 0.19 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1qnt h LEU 169 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1qnt h LEU 169 CO -0.02 1.07 0.11 0.00 0.09 0.00 0.00 178.44 179.69 1qnt h ALA 170 N 1.01 0.88 -0.41 1.53 0.00 -0.93 -1.91 119.26 119.43 1qnt h ALA 170 Ca 0.13 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1qnt h ALA 170 Cb 0.68 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1qnt h ALA 170 CO 0.05 0.65 0.27 1.25 0.00 0.00 0.00 179.25 181.47 1qnt h HIS 171 N 1.02 0.47 -0.28 0.00 -0.00 -0.80 -1.70 115.15 113.87 1qnt h HIS 171 Ca 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1qnt h HIS 171 Cb 0.44 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 1qnt h HIS 171 CO 0.03 0.29 0.00 0.39 -0.00 0.00 0.00 177.93 178.64 1qnt n GLU 172 N -4.48 2.43 -0.02 5.26 1.02 -0.72 -4.91 120.64 119.22 1qnt n GLU 172 Ca 0.04 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 1qnt n GLU 172 Cb 0.10 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1qnt n GLU 172 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qnt n GLY 173 N 0.53 0.38 3.77 0.62 0.00 -0.64 -4.24 105.19 105.61 1qnt n GLY 173 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1qnt n GLY 173 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qnt s HIS 174 N -2.13 3.14 -1.43 1.61 3.76 -0.81 -4.91 115.29 114.52 1qnt s HIS 174 Ca 0.00 1.59 -0.12 0.00 -0.15 0.00 0.00 55.06 56.38 1qnt s HIS 174 Cb 0.00 -3.30 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 1qnt s HIS 174 CO 0.00 -1.07 2.51 0.54 -0.85 0.00 0.00 174.74 175.87 1qnt n ARG 175 N 0.02 3.04 0.00 1.40 1.74 -1.26 -4.39 116.66 117.21 1qnt n ARG 175 Ca 0.05 -2.26 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 1qnt n ARG 175 Cb 0.48 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 1qnt n ARG 175 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39