#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qql s ILE 2 N 0.00 4.51 -0.08 0.53 1.01 -1.26 -5.04 121.20 120.88 2qql s ILE 2 Ca 0.00 1.81 -0.08 0.00 0.00 0.00 0.00 60.65 62.38 2qql s ILE 2 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2qql s ILE 2 CO 0.00 -0.00 0.20 -1.10 0.00 0.00 0.00 174.94 174.04 2qql s GLN 3 N 2.16 3.53 -0.10 2.79 -0.21 -1.26 -4.74 119.66 121.82 2qql s GLN 3 Ca 0.52 -0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.87 2qql s GLN 3 Cb -0.21 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.61 2qql s GLN 3 CO 0.20 0.74 -0.16 -1.64 -2.12 0.00 0.00 175.29 172.30 2qql s MET 4 N -1.20 3.11 -0.05 2.91 -1.94 -1.26 -0.28 119.30 120.58 2qql s MET 4 Ca 0.19 -0.74 0.03 0.00 -1.71 0.00 0.00 55.69 53.46 2qql s MET 4 Cb -0.13 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 34.22 2qql s MET 4 CO 0.08 0.29 -0.14 0.95 -0.01 0.00 0.00 175.02 176.19 2qql s THR 5 N 0.12 1.22 0.06 2.05 -4.23 -0.87 -4.21 115.64 109.78 2qql s THR 5 Ca -0.08 -0.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2qql s THR 5 Cb -0.15 -1.08 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 2qql s THR 5 CO 0.05 0.36 0.12 -1.10 -0.54 0.00 0.00 174.62 173.51 2qql s GLN 6 N 0.25 3.07 -0.05 3.99 -0.21 -1.26 -1.40 119.66 124.04 2qql s GLN 6 Ca -0.07 -0.58 -0.02 0.00 0.02 0.00 0.00 55.36 54.70 2qql s GLN 6 Cb -0.12 -2.84 0.04 0.00 1.00 0.00 0.00 33.01 31.09 2qql s GLN 6 CO 0.02 0.59 0.10 0.45 -2.12 0.00 0.00 175.29 174.34 2qql s SER 7 N -2.31 0.57 0.91 5.90 0.15 0.14 -4.19 113.70 114.88 2qql s SER 7 Ca 0.30 0.19 -0.14 0.00 0.70 0.00 0.00 55.95 57.00 2qql s SER 7 Cb -0.12 0.06 0.16 0.00 -1.71 0.00 0.00 66.02 64.41 2qql s SER 7 CO 0.22 -0.21 1.25 -2.16 1.20 0.00 0.00 173.24 173.54 2qql s PRO 8 N 1.81 1.07 0.00 5.44 0.04 -1.26 -0.39 135.00 141.71 2qql s PRO 8 Ca -0.01 -0.15 0.26 0.00 0.04 0.00 0.00 61.00 61.14 2qql s PRO 8 Cb -0.12 -1.87 0.73 0.00 0.04 0.00 0.00 34.50 33.28 2qql s PRO 8 CO -0.04 -2.16 1.57 -1.13 0.04 0.00 0.00 177.00 175.28 2qql n SER 9 N -3.65 0.36 -3.59 6.66 3.41 -1.26 -4.54 113.62 111.01 2qql n SER 9 Ca 0.12 -0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 2qql n SER 9 Cb 0.60 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 2qql n SER 9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qql s SER 10 N -2.98 -0.40 -0.08 4.04 1.04 -1.26 -2.21 113.70 111.85 2qql s SER 10 Ca 0.12 0.50 -0.15 0.00 0.48 0.00 0.00 55.95 56.91 2qql s SER 10 Cb 0.18 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2qql s SER 10 CO 0.64 -0.31 0.36 -1.48 0.98 0.00 0.00 173.24 173.43 2qql s LEU 11 N -0.85 0.62 -0.08 2.42 0.05 -0.29 -4.91 118.68 115.64 2qql s LEU 11 Ca -0.01 0.44 0.01 0.00 0.05 0.00 0.00 54.13 54.62 2qql s LEU 11 Cb -0.01 1.36 -0.03 0.00 -2.05 0.00 0.00 46.19 45.46 2qql s LEU 11 CO 0.00 -0.31 -0.09 -0.94 -0.55 0.00 0.00 176.35 174.46 2qql s SER 12 N -0.61 4.41 -0.06 1.48 1.04 -1.26 0.84 113.70 119.55 2qql s SER 12 Ca -0.07 -0.11 -0.28 0.00 0.48 0.00 0.00 55.95 55.97 2qql s SER 12 Cb -0.04 -1.16 0.06 0.00 0.10 0.00 0.00 66.02 64.98 2qql s SER 12 CO 0.03 0.32 0.62 0.00 0.98 0.00 0.00 173.24 175.19 2qql s ALA 13 N -0.58 -1.60 0.76 5.32 0.00 0.08 -4.89 121.76 120.85 2qql s ALA 13 Ca 0.09 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 2qql s ALA 13 Cb -0.12 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.00 2qql s ALA 13 CO 0.02 -0.35 1.08 -1.12 0.00 0.00 0.00 175.76 175.39 2qql s SER 14 N -1.12 4.69 0.30 0.00 0.01 -1.26 -1.66 113.70 114.66 2qql s SER 14 Ca -0.11 1.74 -0.29 0.00 1.31 0.00 0.00 55.95 58.60 2qql s SER 14 Cb -0.01 -2.48 -0.10 0.00 0.21 0.00 0.00 66.02 63.63 2qql s SER 14 CO 0.09 -1.90 1.41 -0.69 0.41 0.00 0.00 173.24 172.55 2qql s VAL 15 N -2.95 2.57 0.00 3.43 1.01 -1.26 -2.13 120.40 121.07 2qql s VAL 15 Ca 0.60 0.52 0.00 0.00 0.00 0.00 0.00 61.98 63.10 2qql s VAL 15 Cb -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2qql s VAL 15 CO 0.56 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2qql n GLY 16 N 1.46 2.44 3.77 4.51 0.00 0.87 -4.85 105.19 113.39 2qql n GLY 16 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2qql n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qql s ASP 17 N -2.33 6.32 0.38 1.61 1.11 -0.91 -4.22 116.67 118.64 2qql s ASP 17 Ca 0.00 2.42 -0.24 0.00 0.18 0.00 0.00 52.55 54.90 2qql s ASP 17 Cb 0.00 -2.62 -0.09 0.00 1.07 0.00 0.00 42.92 41.28 2qql s ASP 17 CO 0.00 -0.82 1.01 -0.60 1.18 0.00 0.00 175.17 175.94 2qql s ARG 18 N -2.42 4.29 -0.01 8.23 3.52 -1.12 -1.57 118.95 129.87 2qql s ARG 18 Ca 0.59 1.41 -0.02 0.00 -0.13 0.00 0.00 55.73 57.59 2qql s ARG 18 Cb -0.32 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2qql s ARG 18 CO 0.40 -0.01 0.04 0.08 -0.81 0.00 0.00 175.30 175.00 2qql s VAL 19 N -1.71 0.02 -0.27 7.11 1.01 0.68 -4.99 120.40 122.25 2qql s VAL 19 Ca 0.56 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 2qql s VAL 19 Cb -0.19 -0.14 0.09 0.00 0.00 0.00 0.00 36.38 36.14 2qql s VAL 19 CO 0.25 -0.11 0.11 -0.89 0.00 0.00 0.00 175.10 174.46 2qql s THR 20 N -0.33 0.15 0.23 3.92 2.01 -1.26 -1.31 115.64 119.04 2qql s THR 20 Ca -0.04 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.06 2qql s THR 20 Cb -0.03 -1.07 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 2qql s THR 20 CO 0.00 -0.63 0.56 -0.63 -0.69 0.00 0.00 174.62 173.22 2qql s ILE 21 N 1.99 4.91 0.06 1.82 1.09 -0.82 -4.73 121.20 125.53 2qql s ILE 21 Ca 0.08 0.52 0.05 0.00 -1.10 0.00 0.00 60.65 60.20 2qql s ILE 21 Cb -0.16 -3.63 -0.03 0.00 -1.06 0.00 0.00 42.46 37.58 2qql s ILE 21 CO -0.30 -0.05 -0.15 -0.89 -0.10 0.00 0.00 174.94 173.46 2qql s THR 22 N -1.79 1.14 -0.17 2.92 2.01 0.48 -1.05 115.64 119.17 2qql s THR 22 Ca 0.47 -1.21 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2qql s THR 22 Cb -0.11 -1.08 0.08 0.00 0.01 0.00 0.00 72.50 71.40 2qql s THR 22 CO 0.21 -0.14 0.19 0.00 -0.69 0.00 0.00 174.62 174.19 2qql s ARG 24 N 2.30 3.68 0.07 0.00 3.00 -0.50 -1.07 118.95 126.43 2qql s ARG 24 Ca 0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 55.73 55.17 2qql s ARG 24 Cb -0.15 -3.25 -0.06 0.00 0.00 0.00 0.00 34.95 31.49 2qql s ARG 24 CO -0.10 -0.09 0.46 0.00 0.00 0.00 0.00 175.30 175.56 2qql s ALA 25 N 1.34 3.66 -1.90 2.13 0.00 0.93 -2.05 121.76 125.88 2qql s ALA 25 Ca 0.05 -0.21 0.17 0.00 0.00 0.00 0.00 51.96 51.97 2qql s ALA 25 Cb -0.15 -2.42 1.00 0.00 0.00 0.00 0.00 23.12 21.55 2qql s ALA 25 CO 0.03 0.49 1.44 -1.13 0.00 0.00 0.00 175.76 176.59 2qql n SER 26 N 1.32 0.00 -3.59 0.00 3.41 0.61 -4.74 113.62 110.64 2qql n SER 26 Ca -0.10 -0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 58.02 2qql n SER 26 Cb 0.52 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 2qql n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qql s GLN 27 N -2.10 0.35 0.25 4.33 -2.07 -1.26 -4.93 119.66 114.23 2qql s GLN 27 Ca 0.24 -0.13 -0.29 0.00 -1.82 0.00 0.00 55.36 53.37 2qql s GLN 27 Cb 0.12 0.16 -0.15 0.00 -1.09 0.00 0.00 33.01 32.05 2qql s GLN 27 CO 0.21 -0.15 0.91 -3.47 -1.32 0.00 0.00 175.29 171.46 2qql n ASP 28 N -0.10 0.67 -0.21 12.60 -0.08 -1.26 -4.84 116.55 123.33 2qql n ASP 28 Ca -0.00 1.16 0.02 0.00 -1.51 0.00 0.00 54.79 54.46 2qql n ASP 28 Cb 0.58 -1.20 0.02 0.00 2.34 0.00 0.00 41.12 42.87 2qql n ASP 28 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2qql n VAL 29 N 0.31 0.46 -1.78 5.18 0.31 0.76 -5.01 118.33 118.56 2qql n VAL 29 Ca 0.12 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 2qql n VAL 29 Cb 0.29 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.75 2qql n VAL 29 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qql n SER 30 N -0.31 0.00 -1.86 4.52 2.88 -1.26 -1.60 113.62 115.98 2qql n SER 30 Ca 0.03 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.58 2qql n SER 30 Cb 0.57 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.38 2qql n SER 30 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qql n THR 31 N 0.00 2.82 -1.62 2.46 -2.24 -1.26 -2.29 114.28 112.14 2qql n THR 31 Ca 0.00 -1.57 -0.41 0.00 -2.27 0.00 0.00 64.05 59.81 2qql n THR 31 Cb 0.00 -0.31 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 2qql n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qql n ALA 32 N 0.18 6.57 -2.93 6.98 0.00 -0.63 -2.29 120.51 128.40 2qql n ALA 32 Ca 0.33 -3.78 -0.22 0.00 0.00 0.00 0.00 53.44 49.77 2qql n ALA 32 Cb 1.26 -3.34 -0.16 0.00 0.00 0.00 0.00 19.45 17.22 2qql n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qql s VAL 33 N 2.05 1.00 0.12 0.00 1.01 -1.26 0.13 120.40 123.45 2qql s VAL 33 Ca 0.57 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 62.15 2qql s VAL 33 Cb 0.16 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2qql s VAL 33 CO -0.07 0.30 -0.16 0.00 0.00 0.00 0.00 175.10 175.17 2qql s ALA 34 N 0.07 2.74 -0.11 5.51 0.00 0.58 -0.82 121.76 129.74 2qql s ALA 34 Ca -0.02 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.63 2qql s ALA 34 Cb -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2qql s ALA 34 CO 0.01 0.59 -0.23 -1.58 0.00 0.00 0.00 175.76 174.55 2qql s TRP 35 N -1.20 2.58 0.27 0.00 0.52 0.29 -1.02 118.94 120.39 2qql s TRP 35 Ca 0.19 -1.09 0.09 0.00 0.02 0.00 0.00 56.10 55.31 2qql s TRP 35 Cb -0.11 -1.73 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2qql s TRP 35 CO 0.11 -0.45 0.02 0.71 0.02 0.00 0.00 176.95 177.36 2qql s TYR 36 N 0.42 2.72 -0.11 -1.98 2.02 0.47 -0.32 117.35 120.57 2qql s TYR 36 Ca -0.17 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2qql s TYR 36 Cb -0.18 -1.26 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 2qql s TYR 36 CO 0.07 0.58 -0.17 -1.14 -1.57 0.00 0.00 175.55 173.32 2qql s GLN 37 N -3.70 2.41 -0.15 -0.62 0.74 0.67 -1.86 119.66 117.15 2qql s GLN 37 Ca 0.32 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 55.12 2qql s GLN 37 Cb -0.06 -2.01 0.01 0.00 1.10 0.00 0.00 33.01 32.05 2qql s GLN 37 CO 0.20 -0.04 -0.21 -1.14 -0.55 0.00 0.00 175.29 173.56 2qql s GLN 38 N 0.91 2.95 0.30 1.67 0.74 0.19 -0.66 119.66 125.75 2qql s GLN 38 Ca -0.07 -0.82 -0.04 0.00 0.05 0.00 0.00 55.36 54.47 2qql s GLN 38 Cb -0.15 -2.43 -0.05 0.00 1.10 0.00 0.00 33.01 31.48 2qql s GLN 38 CO -0.01 -0.08 0.56 0.15 -0.55 0.00 0.00 175.29 175.36 2qql s LYS 39 N 0.97 3.62 0.23 1.67 1.02 -1.26 0.21 119.74 126.19 2qql s LYS 39 Ca -0.03 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 2qql s LYS 39 Cb -0.15 -2.64 -0.10 0.00 -0.52 0.00 0.00 37.83 34.42 2qql s LYS 39 CO -0.05 0.20 1.41 -1.25 -0.92 0.00 0.00 175.35 174.74 2qql s PRO 40 N -3.64 4.30 -0.91 -1.68 0.04 -1.26 -2.59 135.00 129.26 2qql s PRO 40 Ca 0.44 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2qql s PRO 40 Cb -0.11 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2qql s PRO 40 CO 0.31 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2qql n GLY 41 N 2.29 1.00 3.18 0.56 0.00 -1.26 -5.00 105.19 105.96 2qql n GLY 41 Ca 0.07 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 2qql n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qql s LYS 42 N -2.81 0.86 0.54 1.61 -0.14 -1.07 -5.14 119.74 113.60 2qql s LYS 42 Ca 0.00 -1.22 -0.19 0.00 -1.36 0.00 0.00 55.97 53.20 2qql s LYS 42 Cb 0.00 -0.47 -0.06 0.00 -1.68 0.00 0.00 37.83 35.62 2qql s LYS 42 CO 0.00 0.06 1.11 0.00 -0.76 0.00 0.00 175.35 175.76 2qql s ALA 43 N -2.77 2.71 0.75 5.17 0.00 -1.26 -4.57 121.76 121.79 2qql s ALA 43 Ca 0.08 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 2qql s ALA 43 Cb -0.01 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.82 2qql s ALA 43 CO -0.01 -0.72 1.24 -2.14 0.00 0.00 0.00 175.76 174.13 2qql s PRO 44 N -3.33 1.96 -0.06 0.00 0.02 -1.26 -4.67 135.00 127.65 2qql s PRO 44 Ca 0.72 1.89 0.06 0.00 0.02 0.00 0.00 61.00 63.68 2qql s PRO 44 Cb -0.22 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 2qql s PRO 44 CO 0.27 -2.01 -0.24 0.15 -0.33 0.00 0.00 177.00 174.84 2qql s LYS 45 N -3.85 2.52 0.16 5.54 1.02 0.16 -4.89 119.74 120.41 2qql s LYS 45 Ca 0.77 -0.88 -0.31 0.00 0.02 0.00 0.00 55.97 55.58 2qql s LYS 45 Cb -0.32 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 34.78 2qql s LYS 45 CO 0.47 0.35 1.42 -1.17 -0.92 0.00 0.00 175.35 175.50 2qql s LEU 46 N -0.10 4.38 -0.13 3.17 2.96 -1.26 -0.24 118.68 127.46 2qql s LEU 46 Ca -0.05 2.46 -0.06 0.00 -0.22 0.00 0.00 54.13 56.26 2qql s LEU 46 Cb -0.14 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 2qql s LEU 46 CO 0.04 -0.67 -0.16 0.18 -1.32 0.00 0.00 176.35 174.41 2qql n LEU 47 N 3.44 1.08 -3.96 -0.68 4.77 0.57 -4.84 117.00 117.38 2qql n LEU 47 Ca 0.10 0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 56.04 2qql n LEU 47 Cb 0.41 -0.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 2qql n LEU 47 CO 0.59 0.31 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.91 2qql s ILE 48 N -2.24 0.60 0.15 -0.08 -1.09 -1.08 -0.66 121.20 116.79 2qql s ILE 48 Ca -0.18 -0.26 0.08 0.00 -2.23 0.00 0.00 60.65 58.06 2qql s ILE 48 Cb 0.07 -0.55 -0.04 0.00 -1.58 0.00 0.00 42.46 40.36 2qql s ILE 48 CO 0.23 0.20 -0.18 -0.72 -1.23 0.00 0.00 174.94 173.24 2qql s TYR 49 N 0.25 1.73 -1.46 3.97 1.13 0.23 -0.55 117.35 122.66 2qql s TYR 49 Ca -0.03 -0.48 -0.11 0.00 -1.41 0.00 0.00 57.07 55.04 2qql s TYR 49 Cb -0.08 -0.88 0.07 0.00 -1.10 0.00 0.00 41.96 39.97 2qql s TYR 49 CO 0.00 0.28 0.78 0.45 -2.51 0.00 0.00 175.55 174.55 2qql n SER 50 N 0.43 -4.79 0.00 -0.18 2.88 -1.07 -1.68 113.62 109.22 2qql n SER 50 Ca -0.14 -0.57 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 2qql n SER 50 Cb 0.57 -3.86 0.00 0.00 -0.75 0.00 0.00 64.21 60.16 2qql n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qql n ALA 51 N -4.15 0.00 -0.77 -1.46 0.00 0.00 -4.38 120.51 109.76 2qql n ALA 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qql n ALA 51 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2qql n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qql n SER 52 N 2.25 0.35 -4.42 0.00 3.41 -1.21 -3.31 113.62 110.68 2qql n SER 52 Ca 0.00 -1.12 -0.40 0.00 -0.26 0.00 0.00 58.87 57.10 2qql n SER 52 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2qql n SER 52 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2qql s PHE 53 N -0.12 3.21 0.15 7.33 0.40 -0.68 -4.61 117.98 123.66 2qql s PHE 53 Ca 0.00 -0.70 -0.34 0.00 -0.60 0.00 0.00 56.93 55.29 2qql s PHE 53 Cb 0.00 -2.41 -0.14 0.00 0.51 0.00 0.00 43.02 40.98 2qql s PHE 53 CO 0.00 -0.53 1.61 1.28 0.70 0.00 0.00 175.22 178.28 2qql n LEU 54 N 5.01 3.20 -4.84 -0.37 4.32 -1.26 -0.60 117.00 122.46 2qql n LEU 54 Ca -0.13 1.07 -0.32 0.00 -0.02 0.00 0.00 56.01 56.62 2qql n LEU 54 Cb 0.48 -1.44 0.01 0.00 -1.62 0.00 0.00 43.42 40.86 2qql n LEU 54 CO 0.36 -0.23 0.71 -0.47 -1.22 0.00 0.00 177.39 176.53 2qql s TYR 55 N 1.18 3.32 0.29 -1.77 5.04 0.16 -4.89 117.35 120.68 2qql s TYR 55 Ca 0.80 1.41 -0.28 0.00 -2.44 0.00 0.00 57.07 56.55 2qql s TYR 55 Cb -0.66 -2.83 -0.14 0.00 0.35 0.00 0.00 41.96 38.67 2qql s TYR 55 CO 0.38 -0.86 0.95 0.45 -1.34 0.00 0.00 175.55 175.14 2qql n SER 56 N -2.49 1.00 0.00 4.32 2.88 -1.26 -2.63 113.62 115.44 2qql n SER 56 Ca 0.07 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 2qql n SER 56 Cb 0.54 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2qql n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qql n GLY 57 N 1.31 2.91 3.71 0.46 0.00 -1.26 -4.99 105.19 107.33 2qql n GLY 57 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2qql n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qql s VAL 58 N -2.41 4.38 0.20 1.61 1.01 -1.08 -4.95 120.40 119.17 2qql s VAL 58 Ca 0.00 1.71 -0.32 0.00 0.00 0.00 0.00 61.98 63.37 2qql s VAL 58 Cb 0.00 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.14 2qql s VAL 58 CO 0.00 0.13 1.25 -2.65 0.00 0.00 0.00 175.10 173.83 2qql n PRO 59 N 3.91 1.50 0.08 2.72 -0.02 -1.26 -4.81 135.00 137.12 2qql n PRO 59 Ca 0.08 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.17 2qql n PRO 59 Cb 0.48 -2.09 0.36 0.00 -0.02 0.00 0.00 33.50 32.24 2qql n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qql n SER 60 N 2.03 0.34 0.15 2.55 3.41 -1.26 -1.68 113.62 119.16 2qql n SER 60 Ca 0.13 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 2qql n SER 60 Cb 0.28 -0.68 0.55 0.00 -0.26 0.00 0.00 64.21 64.10 2qql n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2qql n ARG 61 N -1.91 0.15 -3.36 4.33 1.85 -1.26 -4.56 116.66 111.90 2qql n ARG 61 Ca 0.01 0.58 -0.38 0.00 -1.00 0.00 0.00 57.85 57.06 2qql n ARG 61 Cb 0.10 -1.93 -0.06 0.00 -1.05 0.00 0.00 32.46 29.52 2qql n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2qql s PHE 62 N -3.48 3.77 -0.07 2.89 0.08 -0.67 -1.23 117.98 119.26 2qql s PHE 62 Ca -0.01 1.16 -0.28 0.00 0.12 0.00 0.00 56.93 57.92 2qql s PHE 62 Cb 0.07 -2.41 0.06 0.00 -0.57 0.00 0.00 43.02 40.17 2qql s PHE 62 CO 0.24 0.60 0.63 -1.54 -0.10 0.00 0.00 175.22 175.05 2qql s SER 63 N -1.15 -0.60 -0.01 1.36 1.04 -0.42 -4.94 113.70 108.98 2qql s SER 63 Ca 0.28 0.71 0.07 0.00 0.48 0.00 0.00 55.95 57.48 2qql s SER 63 Cb -0.18 0.60 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2qql s SER 63 CO 0.17 -0.55 -0.22 -0.83 0.98 0.00 0.00 173.24 172.79 2qql s GLY 64 N -1.04 1.11 0.41 7.32 0.00 -1.26 -0.26 107.32 113.60 2qql s GLY 64 Ca -0.10 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.68 2qql s GLY 64 CO 0.08 -0.83 0.16 -1.35 0.00 0.00 0.00 173.10 171.16 2qql s SER 65 N -0.63 2.76 0.00 1.64 1.04 -0.27 -3.99 113.70 114.25 2qql s SER 65 Ca 0.09 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 54.79 2qql s SER 65 Cb -0.09 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2qql s SER 65 CO -0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 2qql n GLY 66 N -0.91 3.59 0.00 7.32 0.00 -1.26 -0.90 105.19 113.02 2qql n GLY 66 Ca -0.05 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2qql n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qql n SER 67 N 0.00 0.00 0.00 1.61 3.41 -1.17 -4.91 113.62 112.57 2qql n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qql n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qql n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qql n GLY 68 N 0.00 1.80 0.00 5.00 0.00 -0.97 -4.84 105.19 106.18 2qql n GLY 68 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2qql n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qql n THR 69 N 0.00 0.00 -4.23 2.61 -2.24 -1.26 -0.17 114.28 108.99 2qql n THR 69 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2qql n THR 69 Cb 0.00 -0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 2qql n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qql s ASP 70 N -1.44 5.40 0.09 3.42 1.11 -1.26 -0.05 116.67 123.94 2qql s ASP 70 Ca 0.00 0.12 0.02 0.00 0.18 0.00 0.00 52.55 52.87 2qql s ASP 70 Cb 0.00 -1.71 -0.04 0.00 1.07 0.00 0.00 42.92 42.23 2qql s ASP 70 CO 0.00 0.30 -0.07 -0.36 1.18 0.00 0.00 175.17 176.22 2qql s PHE 71 N -0.38 0.87 -0.08 4.23 0.40 -0.23 -3.02 117.98 119.76 2qql s PHE 71 Ca 0.08 -0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 55.50 2qql s PHE 71 Cb -0.12 -0.50 0.05 0.00 0.51 0.00 0.00 43.02 42.95 2qql s PHE 71 CO 0.02 -0.15 0.16 0.99 0.70 0.00 0.00 175.22 176.94 2qql s THR 72 N -3.41 -0.23 0.26 0.64 2.01 -0.08 -0.85 115.64 113.98 2qql s THR 72 Ca 0.10 0.33 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 2qql s THR 72 Cb 0.04 -0.29 -0.08 0.00 0.01 0.00 0.00 72.50 72.18 2qql s THR 72 CO -0.04 0.14 0.69 -0.22 -0.69 0.00 0.00 174.62 174.49 2qql s LEU 73 N 2.13 4.20 -0.11 4.42 2.96 -0.22 -1.12 118.68 130.95 2qql s LEU 73 Ca 0.01 1.26 -0.03 0.00 -0.22 0.00 0.00 54.13 55.14 2qql s LEU 73 Cb -0.12 -3.77 0.05 0.00 0.50 0.00 0.00 46.19 42.85 2qql s LEU 73 CO -0.06 -0.07 0.10 -0.89 -1.32 0.00 0.00 176.35 174.11 2qql s THR 74 N -1.75 -0.15 -0.35 3.68 2.01 0.64 -1.94 115.64 117.79 2qql s THR 74 Ca 0.48 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 2qql s THR 74 Cb -0.13 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 2qql s THR 74 CO 0.19 -0.02 0.25 -0.63 -0.69 0.00 0.00 174.62 173.72 2qql s ILE 75 N 2.19 5.24 0.05 1.82 1.01 -0.43 -1.31 121.20 129.77 2qql s ILE 75 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 2qql s ILE 75 Cb -0.14 -3.73 -0.32 0.00 0.01 0.00 0.00 42.46 38.29 2qql s ILE 75 CO -0.06 -0.05 1.04 0.77 0.00 0.00 0.00 174.94 176.63 2qql h SER 76 N 8.50 0.61 -2.86 3.58 4.64 -1.44 0.19 113.55 126.77 2qql h SER 76 Ca -0.31 -0.68 -0.60 0.00 -0.47 0.00 0.00 61.79 59.74 2qql h SER 76 Cb 1.15 -0.20 -0.39 0.00 -0.31 0.00 0.00 62.40 62.65 2qql h SER 76 CO 0.65 1.53 -0.82 -0.55 -0.87 0.00 0.00 176.83 176.78 2qql s SER 77 N -7.33 2.93 0.48 4.97 0.15 -1.26 -2.79 113.70 110.86 2qql s SER 77 Ca -0.07 -2.90 -0.24 0.00 0.70 0.00 0.00 55.95 53.44 2qql s SER 77 Cb 0.06 -0.81 -0.07 0.00 -1.71 0.00 0.00 66.02 63.49 2qql s SER 77 CO 0.91 -0.21 1.38 -0.22 1.20 0.00 0.00 173.24 176.30 2qql s LEU 78 N 0.08 4.03 0.21 3.45 2.96 -0.61 -4.51 118.68 124.29 2qql s LEU 78 Ca 0.24 2.82 0.10 0.00 -0.22 0.00 0.00 54.13 57.08 2qql s LEU 78 Cb -0.11 -4.06 -0.05 0.00 0.50 0.00 0.00 46.19 42.48 2qql s LEU 78 CO -0.10 -1.28 -0.21 -1.10 -1.32 0.00 0.00 176.35 172.35 2qql s GLN 79 N -2.60 1.47 0.13 1.98 -1.52 -1.26 -0.09 119.66 117.78 2qql s GLN 79 Ca 0.64 -1.56 -0.24 0.00 -1.95 0.00 0.00 55.36 52.25 2qql s GLN 79 Cb -0.42 -1.62 -0.02 0.00 -0.22 0.00 0.00 33.01 30.73 2qql s GLN 79 CO 0.52 0.33 1.63 -1.35 -0.25 0.00 0.00 175.29 176.17 2qql h PRO 80 N 2.94 -0.33 0.00 2.91 0.11 -1.91 -2.16 132.00 133.57 2qql h PRO 80 Ca -0.43 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qql h PRO 80 Cb 1.22 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qql h PRO 80 CO 0.53 -0.22 0.56 1.05 -0.21 0.00 0.00 178.00 179.71 2qql h GLU 81 N -0.34 0.00 0.00 1.05 9.09 -1.85 -0.05 114.58 122.48 2qql h GLU 81 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.50 2qql h GLU 81 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 2qql h GLU 81 CO -0.30 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.51 2qql n ASP 82 N -2.69 0.00 -4.68 3.06 8.00 -0.81 -4.77 116.55 114.67 2qql n ASP 82 Ca -0.01 -0.54 -0.46 0.00 0.71 0.00 0.00 54.79 54.49 2qql n ASP 82 Cb 0.59 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.53 2qql n ASP 82 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2qql n PHE 83 N -1.12 2.36 0.00 1.24 7.35 -0.04 -4.87 117.46 122.39 2qql n PHE 83 Ca 0.17 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 2qql n PHE 83 Cb 0.14 -2.62 0.00 0.00 0.35 0.00 0.00 39.48 37.35 2qql n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qql n ALA 84 N 4.94 0.00 -2.78 3.13 0.00 -1.22 -4.83 120.51 119.76 2qql n ALA 84 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 2qql n ALA 84 Cb 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 2qql n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qql s THR 85 N -2.00 3.45 -0.16 0.00 2.01 0.13 -1.03 115.64 118.04 2qql s THR 85 Ca 0.00 -0.55 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2qql s THR 85 Cb 0.00 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 2qql s THR 85 CO 0.00 0.55 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.06 2qql s TYR 86 N -0.23 2.85 -0.12 4.92 1.51 0.03 0.52 117.35 126.84 2qql s TYR 86 Ca 0.02 -0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 55.26 2qql s TYR 86 Cb -0.13 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 2qql s TYR 86 CO 0.03 -0.36 -0.09 0.71 -1.11 0.00 0.00 175.55 174.73 2qql s TYR 87 N 0.74 2.90 0.20 2.71 2.02 -0.78 -1.60 117.35 123.55 2qql s TYR 87 Ca -0.05 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2qql s TYR 87 Cb -0.15 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 2qql s TYR 87 CO 0.01 0.02 0.41 0.00 -1.57 0.00 0.00 175.55 174.43 2qql s GLN 89 N -3.22 0.08 0.00 0.00 0.74 -0.19 -0.26 119.66 116.81 2qql s GLN 89 Ca 0.40 -0.11 -0.17 0.00 0.05 0.00 0.00 55.36 55.53 2qql s GLN 89 Cb -0.11 -0.02 -0.06 0.00 1.10 0.00 0.00 33.01 33.92 2qql s GLN 89 CO 0.28 0.00 0.48 1.14 -0.55 0.00 0.00 175.29 176.64 2qql s GLN 90 N -0.24 4.09 -0.36 1.67 1.03 -0.85 -0.31 119.66 124.69 2qql s GLN 90 Ca -0.02 0.53 0.10 0.00 0.04 0.00 0.00 55.36 56.01 2qql s GLN 90 Cb -0.02 -3.27 0.45 0.00 0.03 0.00 0.00 33.01 30.20 2qql s GLN 90 CO -0.00 0.57 1.09 0.00 -2.54 0.00 0.00 175.29 174.41 2qql n ALA 91 N 2.13 4.41 0.03 2.60 0.00 0.12 -3.88 120.51 125.92 2qql n ALA 91 Ca -0.11 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.55 2qql n ALA 91 Cb 0.52 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2qql n ALA 91 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2qql n TRP 92 N -0.43 -0.31 -1.44 0.00 -0.00 -1.26 -4.88 117.44 109.12 2qql n TRP 92 Ca 0.29 0.06 -0.31 0.00 -0.00 0.00 0.00 57.50 57.54 2qql n TRP 92 Cb 0.77 0.19 0.08 0.00 -0.00 0.00 0.00 31.31 32.35 2qql n TRP 92 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2qql s ALA 93 N -2.00 2.31 0.38 5.87 0.00 -1.26 -4.94 121.76 122.12 2qql s ALA 93 Ca 0.00 0.03 0.12 0.00 0.00 0.00 0.00 51.96 52.11 2qql s ALA 93 Cb 0.00 -3.18 0.92 0.00 0.00 0.00 0.00 23.12 20.86 2qql s ALA 93 CO 0.00 -1.64 1.88 1.88 0.00 0.00 0.00 175.76 177.88 2qql h TYR 94 N -1.03 0.68 -3.56 0.00 0.05 -1.99 -3.37 116.97 107.76 2qql h TYR 94 Ca -0.45 0.02 -0.65 0.00 0.05 0.00 0.00 58.73 57.69 2qql h TYR 94 Cb 1.24 -0.21 -0.24 0.00 1.01 0.00 0.00 36.73 38.52 2qql h TYR 94 CO 0.54 0.24 -0.66 -0.51 -1.05 0.00 0.00 178.16 176.73 2qql s LEU 95 N -9.63 3.27 0.75 3.88 1.43 -1.26 -5.10 118.68 112.01 2qql s LEU 95 Ca -0.09 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 2qql s LEU 95 Cb 0.22 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.63 2qql s LEU 95 CO 0.78 -0.04 1.16 -2.84 0.23 0.00 0.00 176.35 175.65 2qql s PRO 96 N 1.56 2.13 0.05 1.29 0.02 -1.26 -4.84 135.00 133.95 2qql s PRO 96 Ca 0.06 1.57 -0.14 0.00 0.02 0.00 0.00 61.00 62.51 2qql s PRO 96 Cb -0.15 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.54 2qql s PRO 96 CO 0.01 -1.80 0.32 0.95 -0.33 0.00 0.00 177.00 176.15 2qql s THR 97 N -2.28 0.08 0.31 0.99 -4.23 -1.25 -5.03 115.64 104.23 2qql s THR 97 Ca 0.70 -0.65 0.09 0.00 -1.18 0.00 0.00 61.69 60.65 2qql s THR 97 Cb -0.25 -0.95 -0.05 0.00 1.34 0.00 0.00 72.50 72.60 2qql s THR 97 CO 0.47 -0.36 0.03 -0.36 -0.54 0.00 0.00 174.62 173.86 2qql s PHE 98 N -2.57 2.63 0.84 3.99 0.40 -1.26 -2.01 117.98 120.00 2qql s PHE 98 Ca -0.05 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 55.83 2qql s PHE 98 Cb -0.01 -1.38 0.09 0.00 0.51 0.00 0.00 43.02 42.23 2qql s PHE 98 CO -0.03 0.51 1.10 0.20 0.70 0.00 0.00 175.22 177.70 2qql s GLY 99 N -3.72 1.62 0.51 4.36 0.00 0.64 -4.44 107.32 106.29 2qql s GLY 99 Ca 0.34 -0.21 0.30 0.00 0.00 0.00 0.00 44.72 45.15 2qql s GLY 99 CO 0.20 0.25 1.86 0.06 0.00 0.00 0.00 173.10 175.48 2qql h GLN 100 N -1.27 0.00 0.00 2.90 -0.00 -1.91 -3.44 115.11 111.39 2qql h GLN 100 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2qql h GLN 100 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2qql h GLN 100 CO 0.58 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.83 2qql n GLY 101 N 0.37 2.61 3.32 0.06 0.00 -1.26 -5.04 105.19 105.25 2qql n GLY 101 Ca 0.02 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 2qql n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qql s THR 102 N -1.73 3.11 -0.35 2.61 2.01 -0.63 -4.67 115.64 115.98 2qql s THR 102 Ca 0.00 -0.61 -0.15 0.00 0.31 0.00 0.00 61.69 61.24 2qql s THR 102 Cb 0.00 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.14 2qql s THR 102 CO 0.00 0.48 0.37 -0.75 -0.69 0.00 0.00 174.62 174.03 2qql s LYS 103 N 0.97 3.52 -0.13 4.92 2.20 -0.94 -0.79 119.74 129.49 2qql s LYS 103 Ca -0.01 -0.45 -0.14 0.00 -0.36 0.00 0.00 55.97 55.00 2qql s LYS 103 Cb -0.15 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.31 2qql s LYS 103 CO -0.01 -0.56 0.33 0.08 -0.36 0.00 0.00 175.35 174.83 2qql s VAL 104 N 2.02 5.26 -0.02 4.02 1.01 -0.20 -1.14 120.40 131.36 2qql s VAL 104 Ca 0.12 0.63 0.08 0.00 0.00 0.00 0.00 61.98 62.80 2qql s VAL 104 Cb -0.17 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2qql s VAL 104 CO 0.12 0.42 -0.25 -0.70 0.00 0.00 0.00 175.10 174.69 2qql s GLU 105 N 0.21 2.12 -0.06 2.72 2.12 0.25 -3.41 118.70 122.64 2qql s GLU 105 Ca 0.19 -0.92 -0.17 0.00 0.36 0.00 0.00 54.97 54.42 2qql s GLU 105 Cb -0.14 -2.07 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 2qql s GLU 105 CO 0.06 0.56 0.47 0.42 -0.54 0.00 0.00 175.26 176.23 2qql s ILE 106 N -0.64 5.09 -0.26 -3.70 -1.09 -1.26 -0.74 121.20 118.60 2qql s ILE 106 Ca 0.10 0.95 -0.15 0.00 -2.23 0.00 0.00 60.65 59.32 2qql s ILE 106 Cb -0.10 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2qql s ILE 106 CO -0.01 0.42 0.38 -0.75 -1.23 0.00 0.00 174.94 173.76 2qql s LYS 107 N -0.05 4.04 0.44 2.79 2.20 -0.67 -4.81 119.74 123.69 2qql s LYS 107 Ca 0.25 0.07 0.04 0.00 -0.36 0.00 0.00 55.97 55.97 2qql s LYS 107 Cb -0.16 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 2qql s LYS 107 CO 0.12 -0.24 0.02 -0.98 -0.36 0.00 0.00 175.35 173.91 2qql s ARG 108 N 1.96 2.01 0.53 4.03 1.70 -1.26 -4.05 118.95 123.88 2qql s ARG 108 Ca 0.16 -2.20 -0.19 0.00 -0.47 0.00 0.00 55.73 53.02 2qql s ARG 108 Cb -0.16 -1.44 -0.11 0.00 -0.57 0.00 0.00 34.95 32.67 2qql s ARG 108 CO 0.09 -0.21 0.38 2.41 -1.08 0.00 0.00 175.30 176.90 2qql n THR 109 N -1.05 1.67 -2.21 4.99 -1.04 -1.26 -4.92 114.28 110.46 2qql n THR 109 Ca -0.10 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.00 2qql n THR 109 Cb 0.67 -0.51 -0.03 0.00 -1.82 0.00 0.00 70.33 68.64 2qql n THR 109 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qql s VAL 110 N -1.74 3.22 -0.22 12.58 1.01 -1.26 -4.77 120.40 129.21 2qql s VAL 110 Ca 0.65 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.64 2qql s VAL 110 Cb -0.48 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.31 2qql s VAL 110 CO 0.58 0.14 -0.13 0.00 0.00 0.00 0.00 175.10 175.69 2qql s ALA 111 N 0.20 2.34 0.22 5.51 0.00 -0.64 -4.91 121.76 124.47 2qql s ALA 111 Ca 0.57 -1.47 -0.31 0.00 0.00 0.00 0.00 51.96 50.75 2qql s ALA 111 Cb -0.36 -1.40 -0.10 0.00 0.00 0.00 0.00 23.12 21.25 2qql s ALA 111 CO 0.38 -0.89 1.55 0.00 0.00 0.00 0.00 175.76 176.79 2qql s ALA 112 N 1.23 3.74 0.65 0.00 0.00 -1.26 -2.01 121.76 124.11 2qql s ALA 112 Ca -0.03 1.41 -0.15 0.00 0.00 0.00 0.00 51.96 53.19 2qql s ALA 112 Cb -0.17 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 2qql s ALA 112 CO -0.08 -0.81 1.09 -1.25 0.00 0.00 0.00 175.76 174.71 2qql s PRO 113 N 0.41 2.94 -0.26 0.00 0.04 -1.26 -4.75 135.00 132.12 2qql s PRO 113 Ca 0.66 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2qql s PRO 113 Cb -0.44 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 2qql s PRO 113 CO 0.38 -1.12 0.21 -1.12 0.04 0.00 0.00 177.00 175.38 2qql s SER 114 N -2.78 6.09 -0.21 6.66 0.01 -0.64 -4.92 113.70 117.91 2qql s SER 114 Ca 0.65 0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.91 2qql s SER 114 Cb -0.18 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 2qql s SER 114 CO 0.42 -0.03 0.08 -0.69 0.41 0.00 0.00 173.24 173.43 2qql s VAL 115 N 1.55 4.79 0.18 3.43 1.01 -1.26 -0.33 120.40 129.76 2qql s VAL 115 Ca 0.08 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.15 2qql s VAL 115 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2qql s VAL 115 CO 0.09 0.41 -0.24 -0.36 0.00 0.00 0.00 175.10 174.99 2qql s PHE 116 N 0.81 2.25 -0.05 5.22 0.08 0.28 -4.90 117.98 121.66 2qql s PHE 116 Ca 0.04 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2qql s PHE 116 Cb -0.13 -1.14 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2qql s PHE 116 CO 0.02 0.44 -0.09 -1.50 -0.10 0.00 0.00 175.22 174.00 2qql s ILE 117 N -1.56 0.85 -0.10 0.64 2.07 -1.26 -1.99 121.20 119.85 2qql s ILE 117 Ca 0.18 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 2qql s ILE 117 Cb -0.08 -0.80 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 2qql s ILE 117 CO 0.09 0.29 -0.16 -0.36 -1.91 0.00 0.00 174.94 172.88 2qql s PHE 118 N 0.73 2.71 0.81 3.50 0.08 -0.11 -4.99 117.98 120.70 2qql s PHE 118 Ca -0.13 -0.59 -0.10 0.00 0.12 0.00 0.00 56.93 56.23 2qql s PHE 118 Cb -0.15 -1.75 0.11 0.00 -0.57 0.00 0.00 43.02 40.67 2qql s PHE 118 CO 0.02 -0.15 1.15 -1.25 -0.10 0.00 0.00 175.22 174.89 2qql s PRO 119 N 0.03 1.62 1.25 0.24 0.05 -1.26 -1.79 135.00 135.14 2qql s PRO 119 Ca -0.06 -0.30 -0.20 0.00 0.05 0.00 0.00 61.00 60.50 2qql s PRO 119 Cb -0.15 -2.04 0.30 0.00 0.05 0.00 0.00 34.50 32.67 2qql s PRO 119 CO 0.05 -1.70 1.06 -1.25 0.05 0.00 0.00 177.00 175.21 2qql s PRO 120 N -5.51 -1.59 0.12 0.56 0.04 -1.22 -4.79 135.00 122.61 2qql s PRO 120 Ca 0.65 0.05 0.11 0.00 0.04 0.00 0.00 61.00 61.85 2qql s PRO 120 Cb -0.08 -1.54 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 2qql s PRO 120 CO 0.48 -3.98 -0.26 -1.54 0.04 0.00 0.00 177.00 171.74 2qql s SER 121 N -3.62 3.22 0.23 6.66 1.04 -1.26 -5.04 113.70 114.93 2qql s SER 121 Ca 0.70 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 56.27 2qql s SER 121 Cb -0.12 -0.22 0.30 0.00 0.10 0.00 0.00 66.02 66.08 2qql s SER 121 CO 0.57 0.17 1.44 0.47 0.98 0.00 0.00 173.24 176.87 2qql n ASP 122 N 1.02 -0.50 -0.33 7.02 9.92 -1.26 -0.28 116.55 132.14 2qql n ASP 122 Ca -0.18 1.60 0.07 0.00 -0.53 0.00 0.00 54.79 55.75 2qql n ASP 122 Cb 0.53 -0.41 0.17 0.00 -0.64 0.00 0.00 41.12 40.76 2qql n ASP 122 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2qql h GLU 123 N 0.00 0.01 0.02 -1.24 4.81 -2.01 -2.35 114.58 113.82 2qql h GLU 123 Ca 0.37 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2qql h GLU 123 Cb 0.60 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2qql h GLU 123 CO -0.93 0.01 -0.01 0.37 -0.73 0.00 0.00 179.01 177.72 2qql h GLN 124 N 0.01 -0.02 -0.93 1.92 4.15 -0.97 -3.27 115.11 116.00 2qql h GLN 124 Ca 0.48 0.00 0.15 0.00 0.77 0.00 0.00 58.65 60.05 2qql h GLN 124 Cb 0.81 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.41 2qql h GLN 124 CO -0.93 0.50 0.53 -0.07 -1.93 0.00 0.00 178.83 176.94 2qql h LEU 125 N -0.56 0.70 -1.71 -2.39 4.07 -1.16 -1.91 115.31 112.34 2qql h LEU 125 Ca -0.00 0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.07 2qql h LEU 125 Cb 0.54 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 2qql h LEU 125 CO 0.00 0.30 0.25 0.50 -1.08 0.00 0.00 178.44 178.41 2qql h LYS 126 N 0.75 0.37 -0.03 1.13 3.64 -1.50 -2.91 116.57 118.02 2qql h LYS 126 Ca 0.50 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 2qql h LYS 126 Cb 0.67 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2qql h LYS 126 CO -0.34 0.24 -0.04 0.66 -2.27 0.00 0.00 179.45 177.71 2qql h SER 127 N 0.38 0.08 0.00 4.20 4.64 -1.43 -3.48 113.55 117.94 2qql h SER 127 Ca 0.15 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2qql h SER 127 Cb 0.13 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2qql h SER 127 CO -0.03 0.57 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2qql n GLY 128 N 0.28 0.10 3.45 -0.77 0.00 -1.10 -5.17 105.19 101.98 2qql n GLY 128 Ca -0.08 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2qql n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qql s THR 129 N 0.00 2.38 0.10 2.61 2.01 -1.26 -3.11 115.64 118.38 2qql s THR 129 Ca 0.00 -2.31 0.08 0.00 0.31 0.00 0.00 61.69 59.77 2qql s THR 129 Cb 0.00 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 2qql s THR 129 CO 0.00 -0.36 -0.21 0.00 -0.69 0.00 0.00 174.62 173.36 2qql s ALA 130 N -2.38 1.83 -0.02 7.40 0.00 -1.02 -3.83 121.76 123.73 2qql s ALA 130 Ca 0.27 -1.25 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2qql s ALA 130 Cb -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2qql s ALA 130 CO 0.13 0.37 0.05 -1.12 0.00 0.00 0.00 175.76 175.19 2qql s SER 131 N -1.87 -0.00 -0.21 0.00 0.01 -1.26 -2.62 113.70 107.75 2qql s SER 131 Ca 0.07 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.43 2qql s SER 131 Cb -0.10 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.19 2qql s SER 131 CO 0.04 -0.08 -0.17 -0.69 0.41 0.00 0.00 173.24 172.75 2qql s VAL 132 N 0.63 2.11 0.15 3.43 1.01 -0.96 -3.43 120.40 123.34 2qql s VAL 132 Ca -0.05 -1.17 -0.09 0.00 0.00 0.00 0.00 61.98 60.67 2qql s VAL 132 Cb -0.07 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 2qql s VAL 132 CO -0.02 0.35 0.45 -0.69 0.00 0.00 0.00 175.10 175.19 2qql s VAL 133 N 1.23 5.04 -0.44 2.92 1.01 -0.74 -2.05 120.40 127.38 2qql s VAL 133 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2qql s VAL 133 Cb -0.15 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.72 2qql s VAL 133 CO -0.10 0.11 0.24 0.00 0.00 0.00 0.00 175.10 175.35 2qql s LEU 135 N 0.38 4.33 -0.72 0.00 2.96 -0.84 -3.06 118.68 121.73 2qql s LEU 135 Ca 0.18 2.25 -0.11 0.00 -0.22 0.00 0.00 54.13 56.23 2qql s LEU 135 Cb -0.23 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.11 2qql s LEU 135 CO -0.01 -0.90 0.63 -0.76 -1.32 0.00 0.00 176.35 173.99 2qql s LEU 136 N 3.69 6.27 0.06 -0.68 1.02 0.48 -0.56 118.68 128.97 2qql s LEU 136 Ca 0.72 -2.55 -0.30 0.00 0.02 0.00 0.00 54.13 52.02 2qql s LEU 136 Cb -0.34 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 2qql s LEU 136 CO 0.29 -0.57 1.09 0.21 0.02 0.00 0.00 176.35 177.39 2qql s ASN 137 N 2.05 7.25 -0.11 2.29 2.47 0.55 -1.89 114.94 127.56 2qql s ASN 137 Ca 0.15 1.89 -0.07 0.00 0.42 0.00 0.00 52.86 55.24 2qql s ASN 137 Cb -0.16 -2.58 0.03 0.00 -1.45 0.00 0.00 41.25 37.09 2qql s ASN 137 CO -0.06 -0.32 0.15 0.59 -3.72 0.00 0.00 177.10 173.74 2qql n ASN 138 N 3.56 -3.32 -3.95 -4.21 3.02 -0.92 -1.62 115.26 107.81 2qql n ASN 138 Ca 0.06 1.23 -0.09 0.00 -0.03 0.00 0.00 54.58 55.76 2qql n ASN 138 Cb 0.48 -3.85 -0.05 0.00 -0.61 0.00 0.00 39.78 35.75 2qql n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2qql s PHE 139 N -0.41 0.25 -0.25 3.10 -0.71 0.53 -4.06 117.98 116.42 2qql s PHE 139 Ca -0.17 -0.62 -0.22 0.00 -1.04 0.00 0.00 56.93 54.88 2qql s PHE 139 Cb 0.01 0.27 0.07 0.00 -1.21 0.00 0.00 43.02 42.15 2qql s PHE 139 CO 0.45 -1.01 0.67 -0.47 -1.34 0.00 0.00 175.22 173.53 2qql s TYR 140 N -3.99 -0.77 0.93 3.49 6.14 -0.85 -1.45 117.35 120.85 2qql s TYR 140 Ca 0.19 1.83 -0.14 0.00 0.64 0.00 0.00 57.07 59.59 2qql s TYR 140 Cb -0.01 0.29 0.16 0.00 0.42 0.00 0.00 41.96 42.82 2qql s TYR 140 CO 0.07 -0.37 1.21 -1.25 0.64 0.00 0.00 175.55 175.85 2qql s PRO 141 N 0.50 0.94 0.59 4.97 0.04 -1.26 -1.63 135.00 139.15 2qql s PRO 141 Ca -0.01 -0.03 0.35 0.00 0.04 0.00 0.00 61.00 61.35 2qql s PRO 141 Cb -0.05 -1.85 1.81 0.00 0.04 0.00 0.00 34.50 34.46 2qql s PRO 141 CO -0.01 -2.27 2.18 -0.09 0.04 0.00 0.00 177.00 176.84 2qql h ARG 142 N -1.55 0.00 -6.04 4.56 2.43 -1.98 -3.41 114.38 108.39 2qql h ARG 142 Ca -0.47 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.22 2qql h ARG 142 Cb 1.30 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.80 2qql h ARG 142 CO 0.52 0.04 1.22 -1.21 -1.51 0.00 0.00 179.97 179.04 2qql s GLU 143 N -4.09 2.78 -0.02 0.20 2.02 -1.26 -4.95 118.70 113.38 2qql s GLU 143 Ca -0.03 0.25 -0.00 0.00 0.02 0.00 0.00 54.97 55.20 2qql s GLU 143 Cb 0.12 -4.46 0.02 0.00 0.10 0.00 0.00 34.13 29.91 2qql s GLU 143 CO 0.51 -2.66 0.04 0.00 0.02 0.00 0.00 175.26 173.16 2qql s ALA 144 N 8.30 0.03 -0.14 5.21 0.00 -1.26 -4.64 121.76 129.27 2qql s ALA 144 Ca 0.60 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 2qql s ALA 144 Cb -0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2qql s ALA 144 CO 0.16 -0.09 0.49 0.21 0.00 0.00 0.00 175.76 176.53 2qql s LYS 145 N 0.85 4.31 -0.12 0.00 2.20 0.04 -5.01 119.74 122.00 2qql s LYS 145 Ca -0.07 0.45 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 2qql s LYS 145 Cb -0.10 -3.47 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2qql s LYS 145 CO -0.03 0.08 -0.17 0.08 -0.36 0.00 0.00 175.35 174.96 2qql s VAL 146 N 0.87 2.69 -0.02 4.02 1.01 -1.26 -1.89 120.40 125.82 2qql s VAL 146 Ca 0.26 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.51 2qql s VAL 146 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2qql s VAL 146 CO 0.10 0.53 -0.21 -1.10 0.00 0.00 0.00 175.10 174.43 2qql s GLN 147 N 0.41 1.77 -0.02 2.72 -0.21 0.19 -5.00 119.66 119.52 2qql s GLN 147 Ca -0.13 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 54.54 2qql s GLN 147 Cb -0.17 -1.68 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 2qql s GLN 147 CO 0.06 0.43 -0.15 -1.58 -2.12 0.00 0.00 175.29 171.94 2qql s TRP 148 N -0.43 2.68 -0.02 0.91 0.52 -1.26 -0.49 118.94 120.84 2qql s TRP 148 Ca 0.06 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.01 2qql s TRP 148 Cb -0.09 -1.58 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 2qql s TRP 148 CO -0.00 0.22 0.01 0.15 0.02 0.00 0.00 176.95 177.35 2qql s LYS 149 N -1.01 0.10 -0.42 4.98 1.02 -1.10 -2.46 119.74 120.86 2qql s LYS 149 Ca 0.13 0.10 0.03 0.00 0.02 0.00 0.00 55.97 56.25 2qql s LYS 149 Cb -0.11 -0.29 0.12 0.00 -0.52 0.00 0.00 37.83 37.03 2qql s LYS 149 CO 0.03 -0.12 0.18 0.08 -0.92 0.00 0.00 175.35 174.60 2qql s VAL 150 N 0.83 1.93 -1.42 3.17 1.01 -1.25 -2.50 120.40 122.17 2qql s VAL 150 Ca -0.07 -2.59 -0.09 0.00 0.00 0.00 0.00 61.98 59.22 2qql s VAL 150 Cb -0.11 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.92 2qql s VAL 150 CO -0.02 -0.76 1.07 0.47 0.00 0.00 0.00 175.10 175.86 2qql n ASP 151 N 3.76 -6.06 -0.56 3.32 8.00 -1.22 -2.59 116.55 121.21 2qql n ASP 151 Ca 0.05 -0.55 -0.07 0.00 0.71 0.00 0.00 54.79 54.93 2qql n ASP 151 Cb 0.37 -4.79 -0.03 0.00 -0.02 0.00 0.00 41.12 36.64 2qql n ASP 151 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2qql n ASN 152 N -2.91 -4.79 -4.27 -2.24 5.15 -1.26 -4.95 115.26 99.98 2qql n ASN 152 Ca 0.00 0.18 -0.43 0.00 -0.60 0.00 0.00 54.58 53.73 2qql n ASN 152 Cb 0.56 -2.93 0.00 0.00 -0.53 0.00 0.00 39.78 36.88 2qql n ASN 152 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qql n ALA 153 N 1.13 4.33 -1.05 5.20 0.00 -1.07 -4.93 120.51 124.12 2qql n ALA 153 Ca -0.07 -4.16 -0.09 0.00 0.00 0.00 0.00 53.44 49.12 2qql n ALA 153 Cb 0.39 -3.19 -0.10 0.00 0.00 0.00 0.00 19.45 16.56 2qql n ALA 153 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qql n LEU 154 N 5.77 -1.45 -4.78 0.00 7.94 -1.26 -3.84 117.00 119.38 2qql n LEU 154 Ca 0.41 -0.81 -0.37 0.00 -1.11 0.00 0.00 56.01 54.13 2qql n LEU 154 Cb 0.41 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 43.86 2qql n LEU 154 CO 0.72 -1.27 0.76 -1.10 -1.11 0.00 0.00 177.39 175.40 2qql s GLN 155 N 5.05 4.10 -0.05 1.96 -1.52 -1.03 -5.01 119.66 123.17 2qql s GLN 155 Ca 0.57 1.60 -0.20 0.00 -1.95 0.00 0.00 55.36 55.37 2qql s GLN 155 Cb -0.37 -2.55 0.04 0.00 -0.22 0.00 0.00 33.01 29.91 2qql s GLN 155 CO 0.25 -0.22 0.45 -1.54 -0.25 0.00 0.00 175.29 173.98 2qql s SER 156 N -1.46 -0.39 -0.53 5.90 1.04 -1.26 -4.44 113.70 112.56 2qql s SER 156 Ca 0.58 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 57.41 2qql s SER 156 Cb -0.24 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2qql s SER 156 CO 0.30 -0.46 0.29 0.61 0.98 0.00 0.00 173.24 174.97 2qql n GLY 157 N 1.39 0.32 2.13 7.32 0.00 -1.26 -4.95 105.19 110.14 2qql n GLY 157 Ca -0.20 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 2qql n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qql n ASN 158 N 0.11 -0.45 -3.66 1.61 0.23 -1.26 -5.13 115.26 106.71 2qql n ASN 158 Ca -0.02 -2.10 -0.03 0.00 -0.53 0.00 0.00 54.58 51.90 2qql n ASN 158 Cb 0.53 0.24 -0.01 0.00 -2.08 0.00 0.00 39.78 38.46 2qql n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2qql s SER 159 N -1.73 -0.16 -0.07 0.53 1.04 -1.26 -2.51 113.70 109.54 2qql s SER 159 Ca 0.13 -0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.28 2qql s SER 159 Cb 0.30 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.77 2qql s SER 159 CO -0.08 -0.60 0.19 -1.10 0.98 0.00 0.00 173.24 172.63 2qql s GLN 160 N -2.89 0.22 -0.04 4.02 -0.21 -0.58 -4.94 119.66 115.24 2qql s GLN 160 Ca 0.12 0.26 -0.05 0.00 0.02 0.00 0.00 55.36 55.71 2qql s GLN 160 Cb 0.01 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 34.08 2qql s GLN 160 CO -0.02 -0.03 0.19 -1.21 -2.12 0.00 0.00 175.29 172.10 2qql s GLU 161 N 0.11 3.47 -0.11 2.91 2.02 -1.26 -1.56 118.70 124.28 2qql s GLU 161 Ca -0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 54.97 54.76 2qql s GLU 161 Cb -0.01 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 31.13 2qql s GLU 161 CO 0.00 0.71 0.02 0.45 0.02 0.00 0.00 175.26 176.45 2qql s SER 162 N -1.60 1.99 -0.19 -0.19 0.15 -0.60 -4.99 113.70 108.28 2qql s SER 162 Ca 0.23 -0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.51 2qql s SER 162 Cb -0.13 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.69 2qql s SER 162 CO 0.13 -0.24 0.02 -0.69 1.20 0.00 0.00 173.24 173.67 2qql s VAL 163 N 1.96 4.24 0.64 4.45 1.01 -1.26 -2.07 120.40 129.37 2qql s VAL 163 Ca 0.03 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 2qql s VAL 163 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 2qql s VAL 163 CO -0.06 0.45 1.19 0.41 0.00 0.00 0.00 175.10 177.08 2qql n THR 164 N 3.87 4.54 -2.31 3.92 -1.04 -0.52 -4.98 114.28 117.76 2qql n THR 164 Ca -0.17 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.05 60.94 2qql n THR 164 Cb 0.52 -1.38 -0.03 0.00 -1.82 0.00 0.00 70.33 67.62 2qql n THR 164 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2qql s GLU 165 N -3.22 4.49 -0.08 -2.82 0.41 -1.26 -4.62 118.70 111.60 2qql s GLU 165 Ca 0.81 1.99 -0.37 0.00 -0.41 0.00 0.00 54.97 56.98 2qql s GLU 165 Cb -0.39 -3.15 -0.15 0.00 -1.78 0.00 0.00 34.13 28.66 2qql s GLU 165 CO 0.42 -0.02 1.61 0.94 -0.49 0.00 0.00 175.26 177.72 2qql n GLN 166 N 1.38 1.40 -1.65 1.61 7.27 -1.26 -4.85 117.38 121.27 2qql n GLN 166 Ca 0.01 0.51 -0.51 0.00 0.07 0.00 0.00 57.00 57.08 2qql n GLN 166 Cb 0.43 -2.21 -0.05 0.00 2.41 0.00 0.00 30.24 30.82 2qql n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2qql n ASP 167 N 4.36 2.53 -0.49 1.69 -0.08 -0.58 -4.88 116.55 119.09 2qql n ASP 167 Ca 0.22 1.07 0.03 0.00 -1.51 0.00 0.00 54.79 54.61 2qql n ASP 167 Cb 0.19 -1.28 0.10 0.00 2.34 0.00 0.00 41.12 42.47 2qql n ASP 167 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2qql n SER 168 N 4.04 1.38 -0.00 1.67 3.41 -1.26 -0.96 113.62 121.90 2qql n SER 168 Ca 0.20 -2.05 -0.02 0.00 -0.26 0.00 0.00 58.87 56.75 2qql n SER 168 Cb 0.23 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2qql n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qql n LYS 169 N 0.14 0.11 0.00 4.33 5.02 -1.26 -2.55 118.16 123.95 2qql n LYS 169 Ca 0.07 0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.54 2qql n LYS 169 Cb 0.24 -0.55 0.37 0.00 -0.02 0.00 0.00 35.03 35.07 2qql n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2qql n ASP 170 N -3.25 1.18 -2.29 4.39 5.68 -1.26 -4.90 116.55 116.09 2qql n ASP 170 Ca -0.03 -1.03 -0.21 0.00 -0.50 0.00 0.00 54.79 53.03 2qql n ASP 170 Cb 0.11 0.14 -0.02 0.00 -1.14 0.00 0.00 41.12 40.21 2qql n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2qql n SER 171 N -0.47 -5.85 -4.70 -1.12 7.64 -0.14 -4.97 113.62 104.01 2qql n SER 171 Ca 0.13 0.03 -0.23 0.00 1.01 0.00 0.00 58.87 59.81 2qql n SER 171 Cb 0.36 -4.89 -0.07 0.00 -1.01 0.00 0.00 64.21 58.60 2qql n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2qql s THR 172 N -3.01 3.25 0.18 0.44 -4.23 -1.26 -4.71 115.64 106.30 2qql s THR 172 Ca 0.00 -1.78 0.09 0.00 -1.18 0.00 0.00 61.69 58.82 2qql s THR 172 Cb 0.00 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 2qql s THR 172 CO 0.00 -0.27 -0.10 -0.31 -0.54 0.00 0.00 174.62 173.40 2qql s TYR 173 N -2.38 2.62 0.14 3.99 1.51 -0.53 -1.53 117.35 121.18 2qql s TYR 173 Ca 0.35 -0.23 0.10 0.00 -1.01 0.00 0.00 57.07 56.28 2qql s TYR 173 Cb -0.04 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 2qql s TYR 173 CO 0.21 0.51 -0.24 -1.12 -1.11 0.00 0.00 175.55 173.81 2qql s SER 174 N -2.84 3.11 -0.02 2.29 0.01 -1.26 -0.35 113.70 114.64 2qql s SER 174 Ca 0.25 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 2qql s SER 174 Cb -0.09 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.95 2qql s SER 174 CO 0.15 0.12 0.05 -0.22 0.41 0.00 0.00 173.24 173.75 2qql s LEU 175 N -2.24 1.58 -0.12 2.44 0.20 -0.79 -1.44 118.68 118.31 2qql s LEU 175 Ca 0.14 0.09 0.03 0.00 0.69 0.00 0.00 54.13 55.08 2qql s LEU 175 Cb -0.09 0.12 0.00 0.00 -0.43 0.00 0.00 46.19 45.79 2qql s LEU 175 CO 0.07 -0.05 -0.22 -0.94 -0.29 0.00 0.00 176.35 174.92 2qql s SER 176 N 0.34 3.20 -0.28 3.68 1.04 -0.88 -0.39 113.70 120.42 2qql s SER 176 Ca -0.03 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 2qql s SER 176 Cb -0.04 -1.45 0.02 0.00 0.10 0.00 0.00 66.02 64.65 2qql s SER 176 CO -0.01 0.12 0.01 -0.55 0.98 0.00 0.00 173.24 173.79 2qql s SER 177 N 0.60 4.75 -0.19 7.02 0.15 -1.17 -1.55 113.70 123.31 2qql s SER 177 Ca -0.12 -0.86 -0.02 0.00 0.70 0.00 0.00 55.95 55.65 2qql s SER 177 Cb -0.17 -1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2qql s SER 177 CO 0.03 -0.18 -0.08 -0.89 1.20 0.00 0.00 173.24 173.32 2qql s THR 178 N 1.39 3.19 -0.34 6.45 2.01 -0.60 -1.31 115.64 126.43 2qql s THR 178 Ca 0.01 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 2qql s THR 178 Cb -0.17 -2.41 0.05 0.00 0.01 0.00 0.00 72.50 69.98 2qql s THR 178 CO -0.01 0.47 0.11 -0.22 -0.69 0.00 0.00 174.62 174.28 2qql s LEU 179 N 1.06 4.39 -0.14 4.42 2.96 -0.87 -1.52 118.68 128.98 2qql s LEU 179 Ca 0.00 -1.23 -0.14 0.00 -0.22 0.00 0.00 54.13 52.55 2qql s LEU 179 Cb -0.15 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 2qql s LEU 179 CO -0.01 -0.35 0.31 -0.89 -1.32 0.00 0.00 176.35 174.09 2qql s THR 180 N 1.38 5.29 0.03 3.68 2.01 -1.04 -2.25 115.64 124.73 2qql s THR 180 Ca -0.01 0.58 -0.22 0.00 0.31 0.00 0.00 61.69 62.35 2qql s THR 180 Cb -0.20 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.72 2qql s THR 180 CO 0.02 0.41 0.50 -0.76 -0.69 0.00 0.00 174.62 174.10 2qql s LEU 181 N 0.28 0.02 0.50 4.42 1.02 -1.08 -4.82 118.68 119.03 2qql s LEU 181 Ca 0.18 0.20 -0.21 0.00 0.02 0.00 0.00 54.13 54.31 2qql s LEU 181 Cb -0.13 2.03 -0.07 0.00 0.02 0.00 0.00 46.19 48.04 2qql s LEU 181 CO 0.05 -0.67 1.15 -0.94 0.02 0.00 0.00 176.35 175.95 2qql s SER 182 N -1.83 5.94 0.39 2.29 1.04 -1.26 -2.42 113.70 117.85 2qql s SER 182 Ca -0.07 2.24 0.13 0.00 0.48 0.00 0.00 55.95 58.74 2qql s SER 182 Cb -0.01 -2.59 0.96 0.00 0.10 0.00 0.00 66.02 64.48 2qql s SER 182 CO 0.00 -1.07 1.88 0.50 0.98 0.00 0.00 173.24 175.53 2qql h LYS 183 N 1.62 0.51 -0.49 4.02 3.11 -1.87 0.23 116.57 123.69 2qql h LYS 183 Ca -0.50 -0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.39 2qql h LYS 183 Cb 1.26 -0.12 -0.10 0.00 -1.00 0.00 0.00 32.23 32.27 2qql h LYS 183 CO 0.58 0.34 -0.42 0.00 -2.81 0.00 0.00 179.45 177.14 2qql h ALA 184 N 1.62 -0.35 0.00 5.00 0.00 -1.91 -2.61 119.26 121.00 2qql h ALA 184 Ca 0.43 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 55.27 2qql h ALA 184 Cb 0.89 0.90 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2qql h ALA 184 CO -0.17 -0.83 -0.80 -0.44 0.00 0.00 0.00 179.25 177.01 2qql h ASP 185 N -0.27 0.00 -0.35 0.00 5.19 -1.06 -3.33 116.42 116.60 2qql h ASP 185 Ca 0.16 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.50 2qql h ASP 185 Cb 0.57 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 2qql h ASP 185 CO -0.63 0.80 -0.03 0.22 -3.12 0.00 0.00 179.24 176.48 2qql h TYR 186 N 0.00 0.79 0.00 4.55 5.03 -0.43 -2.97 116.97 123.94 2qql h TYR 186 Ca -0.01 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.19 2qql h TYR 186 Cb 1.47 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.54 2qql h TYR 186 CO 0.00 0.76 0.00 0.93 -1.32 0.00 0.00 178.16 178.53 2qql h GLU 187 N 0.69 0.00 -1.04 1.82 4.39 -1.58 -3.13 114.58 115.74 2qql h GLU 187 Ca 0.13 0.00 0.27 0.00 0.34 0.00 0.00 59.36 60.10 2qql h GLU 187 Cb 0.47 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 2qql h GLU 187 CO 0.02 0.00 0.69 0.87 -1.16 0.00 0.00 179.01 179.44 2qql h LYS 188 N 0.00 0.27 -5.77 2.33 1.57 -1.68 -3.43 116.57 109.85 2qql h LYS 188 Ca 0.00 -0.02 -0.49 0.00 -1.87 0.00 0.00 60.65 58.28 2qql h LYS 188 Cb 0.63 -0.06 -0.19 0.00 0.08 0.00 0.00 32.23 32.69 2qql h LYS 188 CO 0.00 0.18 -0.78 -1.01 -0.57 0.00 0.00 179.45 177.26 2qql s HIS 189 N -5.32 1.64 -0.09 -1.35 3.76 -1.18 -5.09 115.29 107.66 2qql s HIS 189 Ca -0.08 -0.49 -0.10 0.00 -0.15 0.00 0.00 55.06 54.25 2qql s HIS 189 Cb 0.24 -0.85 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 2qql s HIS 189 CO 0.79 0.23 -0.19 1.17 -0.85 0.00 0.00 174.74 175.89 2qql n LYS 190 N 0.59 0.29 -3.19 1.40 4.81 -1.26 -4.96 118.16 115.83 2qql n LYS 190 Ca -0.16 0.12 -0.42 0.00 -0.87 0.00 0.00 58.31 56.98 2qql n LYS 190 Cb 0.56 -0.99 -0.07 0.00 0.02 0.00 0.00 35.03 34.55 2qql n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2qql s VAL 191 N -2.14 4.94 -0.06 3.15 1.01 -1.26 -3.16 120.40 122.88 2qql s VAL 191 Ca -0.16 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2qql s VAL 191 Cb 0.02 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 2qql s VAL 191 CO 0.24 -0.40 0.00 -0.31 0.00 0.00 0.00 175.10 174.63 2qql s TYR 192 N 2.55 3.14 0.10 5.22 1.51 -1.23 -3.38 117.35 125.27 2qql s TYR 192 Ca 0.20 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 2qql s TYR 192 Cb -0.15 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 2qql s TYR 192 CO 0.16 0.47 -0.01 0.00 -1.11 0.00 0.00 175.55 175.05 2qql s ALA 193 N -0.95 0.86 -0.04 3.71 0.00 -1.04 -2.47 121.76 121.82 2qql s ALA 193 Ca 0.15 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.77 2qql s ALA 193 Cb -0.11 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2qql s ALA 193 CO 0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 175.76 175.32 2qql s GLU 195 N 0.30 1.88 -0.28 0.00 2.12 0.35 -0.62 118.70 122.46 2qql s GLU 195 Ca -0.07 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.60 2qql s GLU 195 Cb -0.12 -1.64 0.08 0.00 0.26 0.00 0.00 34.13 32.71 2qql s GLU 195 CO 0.02 0.28 0.04 0.08 -0.54 0.00 0.00 175.26 175.14 2qql s VAL 196 N -0.05 1.26 -0.13 3.70 1.01 0.25 -0.64 120.40 125.81 2qql s VAL 196 Ca -0.03 -1.41 -0.22 0.00 0.00 0.00 0.00 61.98 60.32 2qql s VAL 196 Cb -0.11 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2qql s VAL 196 CO 0.02 -0.44 0.67 -0.89 0.00 0.00 0.00 175.10 174.46 2qql s THR 197 N 1.46 5.03 -0.24 3.92 2.01 -0.79 -2.90 115.64 124.13 2qql s THR 197 Ca 0.04 1.32 -0.14 0.00 0.31 0.00 0.00 61.69 63.22 2qql s THR 197 Cb -0.18 -3.99 0.07 0.00 0.01 0.00 0.00 72.50 68.41 2qql s THR 197 CO -0.15 0.18 0.59 -2.28 -0.69 0.00 0.00 174.62 172.27 2qql s HIS 198 N 1.36 -0.89 0.07 4.92 5.04 -1.26 -0.78 115.29 123.75 2qql s HIS 198 Ca 0.33 1.83 -0.09 0.00 -1.54 0.00 0.00 55.06 55.58 2qql s HIS 198 Cb -0.17 0.50 0.02 0.00 0.04 0.00 0.00 32.58 32.98 2qql s HIS 198 CO 0.14 -0.46 0.56 0.94 -2.34 0.00 0.00 174.74 173.58 2qql n GLN 199 N 4.25 -0.13 0.00 2.88 7.27 -1.26 -0.02 117.38 130.37 2qql n GLN 199 Ca -0.21 0.55 0.04 0.00 0.07 0.00 0.00 57.00 57.46 2qql n GLN 199 Cb 0.58 -0.82 0.26 0.00 2.41 0.00 0.00 30.24 32.67 2qql n GLN 199 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qql n GLY 200 N -1.13 -0.31 3.66 1.69 0.00 -1.26 -4.48 105.19 103.36 2qql n GLY 200 Ca 0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2qql n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qql s LEU 201 N -1.87 3.95 0.52 0.99 1.02 0.97 -4.29 118.68 119.96 2qql s LEU 201 Ca 0.13 0.12 0.30 0.00 0.02 0.00 0.00 54.13 54.71 2qql s LEU 201 Cb 0.06 -2.01 1.27 0.00 0.02 0.00 0.00 46.19 45.53 2qql s LEU 201 CO 0.10 0.16 1.96 0.77 0.02 0.00 0.00 176.35 179.36 2qql h SER 202 N 6.79 0.00 -5.12 2.29 4.64 -1.86 -3.45 113.55 116.85 2qql h SER 202 Ca -0.38 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.88 2qql h SER 202 Cb 1.16 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.12 2qql h SER 202 CO 0.71 0.09 -0.16 -0.94 -0.87 0.00 0.00 176.83 175.67 2qql s SER 203 N -5.89 -0.12 0.21 4.97 1.04 -1.26 -5.14 113.70 107.51 2qql s SER 203 Ca 0.00 -0.47 -0.32 0.00 0.48 0.00 0.00 55.95 55.64 2qql s SER 203 Cb 0.10 0.45 -0.13 0.00 0.10 0.00 0.00 66.02 66.54 2qql s SER 203 CO 0.57 -0.85 1.49 -2.65 0.98 0.00 0.00 173.24 172.78 2qql n PRO 204 N -0.20 2.13 -3.53 4.02 -0.02 -1.26 -4.96 135.00 131.18 2qql n PRO 204 Ca -0.14 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 61.72 2qql n PRO 204 Cb 0.63 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 2qql n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qql s VAL 205 N 0.31 5.07 -0.13 -1.45 1.01 -1.14 -4.93 120.40 119.14 2qql s VAL 205 Ca 0.72 0.79 -0.00 0.00 0.00 0.00 0.00 61.98 63.48 2qql s VAL 205 Cb -0.65 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2qql s VAL 205 CO 0.45 0.57 -0.08 -0.89 0.00 0.00 0.00 175.10 175.16 2qql s THR 206 N -1.01 1.12 0.01 3.92 2.01 -1.26 -0.58 115.64 119.85 2qql s THR 206 Ca 0.23 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 2qql s THR 206 Cb -0.16 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2qql s THR 206 CO 0.12 0.30 0.16 -0.75 -0.69 0.00 0.00 174.62 173.77 2qql s LYS 207 N 1.66 3.33 0.32 4.92 2.47 0.21 -4.92 119.74 127.73 2qql s LYS 207 Ca 0.04 -0.41 -0.08 0.00 -1.56 0.00 0.00 55.97 53.96 2qql s LYS 207 Cb -0.13 -3.01 0.01 0.00 -1.46 0.00 0.00 37.83 33.23 2qql s LYS 207 CO -0.08 0.65 0.53 -1.54 0.16 0.00 0.00 175.35 175.07 2qql s SER 208 N -2.07 0.46 0.04 1.43 1.04 -1.26 0.26 113.70 113.61 2qql s SER 208 Ca 0.28 -1.27 -0.26 0.00 0.48 0.00 0.00 55.95 55.18 2qql s SER 208 Cb -0.13 0.68 0.06 0.00 0.10 0.00 0.00 66.02 66.74 2qql s SER 208 CO 0.20 -1.33 0.61 0.72 0.98 0.00 0.00 173.24 174.42 2qql s PHE 209 N -3.18 -0.55 -0.25 5.02 -0.12 -1.03 -4.97 117.98 112.89 2qql s PHE 209 Ca 0.25 0.71 -0.14 0.00 -0.05 0.00 0.00 56.93 57.70 2qql s PHE 209 Cb -0.01 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 2qql s PHE 209 CO 0.15 -0.69 0.34 -0.80 -0.05 0.00 0.00 175.22 174.18 2qql s ASN 210 N -1.86 6.25 0.13 1.98 -0.87 -1.26 -3.48 114.94 115.83 2qql s ASN 210 Ca -0.06 0.29 -0.31 0.00 -1.57 0.00 0.00 52.86 51.21 2qql s ASN 210 Cb -0.01 -2.20 -0.09 0.00 -0.02 0.00 0.00 41.25 38.94 2qql s ASN 210 CO 0.00 -0.12 1.48 -0.60 -2.57 0.00 0.00 177.10 175.29 2qql s ARG 211 N 1.78 4.27 0.00 -0.60 3.52 -1.19 -2.13 118.95 124.60 2qql s ARG 211 Ca 0.14 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 57.95 2qql s ARG 211 Cb -0.15 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 2qql s ARG 211 CO 0.09 -0.53 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 2qql n GLY 212 N 3.64 2.56 5.07 8.12 0.00 -1.26 -4.95 105.19 118.37 2qql n GLY 212 Ca 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2qql n GLY 212 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qql n GLU 213 N 0.00 0.00 0.00 1.61 0.00 -0.91 -5.30 120.64 116.04 2qql n GLU 213 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 2qql n GLU 213 Cb 0.00 0.00 0.77 0.00 0.00 0.00 0.00 31.44 32.21 2qql n GLU 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13