#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqf n ALA -1 N 0.00 -1.39 -2.51 3.04 0.00 -1.26 -4.90 120.51 113.50 2qqf n ALA -1 Ca 0.00 0.48 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 2qqf n ALA -1 Cb 0.00 -1.95 -0.08 0.00 0.00 0.00 0.00 19.45 17.42 2qqf n ALA -1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qqf s SER 0 N -0.06 2.77 0.10 0.00 1.04 -1.26 -5.09 113.70 111.20 2qqf s SER 0 Ca 0.76 -1.70 -0.19 0.00 0.48 0.00 0.00 55.95 55.29 2qqf s SER 0 Cb -0.92 0.55 0.04 0.00 0.10 0.00 0.00 66.02 65.79 2qqf s SER 0 CO 0.53 -0.96 0.46 0.00 0.98 0.00 0.00 173.24 174.24 2qqf s MET 1 N -3.67 1.07 1.00 4.02 0.23 -1.26 -5.02 119.30 115.66 2qqf s MET 1 Ca 0.24 -0.51 -0.12 0.00 -1.03 0.00 0.00 55.69 54.27 2qqf s MET 1 Cb 0.02 0.48 0.14 0.00 -1.53 0.00 0.00 34.83 33.93 2qqf s MET 1 CO 0.15 -0.41 0.76 0.45 -2.03 0.00 0.00 175.02 173.94 2qqf n SER 2 N 0.02 -1.11 0.01 -1.18 2.88 -1.26 -4.81 113.62 108.17 2qqf n SER 2 Ca -0.17 0.22 0.11 0.00 -1.33 0.00 0.00 58.87 57.70 2qqf n SER 2 Cb 0.62 -1.29 -0.05 0.00 -0.75 0.00 0.00 64.21 62.74 2qqf n SER 2 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2qqf n VAL 3 N -4.22 0.06 -4.00 2.46 3.14 -1.26 -4.97 118.33 109.54 2qqf n VAL 3 Ca 0.07 -0.18 -0.11 0.00 -2.96 0.00 0.00 64.34 61.17 2qqf n VAL 3 Cb 0.54 0.48 -0.04 0.00 -1.06 0.00 0.00 33.84 33.76 2qqf n VAL 3 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2qqf s SER 4 N -3.60 0.26 0.47 6.55 1.04 -1.26 -5.02 113.70 112.14 2qqf s SER 4 Ca 0.04 -1.15 0.27 0.00 0.48 0.00 0.00 55.95 55.59 2qqf s SER 4 Cb 0.15 0.65 0.93 0.00 0.10 0.00 0.00 66.02 67.85 2qqf s SER 4 CO 0.84 -1.27 1.82 0.00 0.98 0.00 0.00 173.24 175.61 2qqf h THR 5 N 2.17 0.29 -2.65 2.02 1.03 -2.03 -3.44 112.91 110.31 2qqf h THR 5 Ca -0.28 -0.96 -0.52 0.00 -0.01 0.00 0.00 66.41 64.64 2qqf h THR 5 Cb 1.25 1.76 0.05 0.00 -1.07 0.00 0.00 68.15 70.13 2qqf h THR 5 CO 0.37 0.13 1.02 0.00 -0.01 0.00 0.00 175.52 177.03 2qqf s ALA 6 N -3.54 3.83 0.30 0.00 0.00 -1.26 -4.98 121.76 116.12 2qqf s ALA 6 Ca 0.02 1.47 -0.25 0.00 0.00 0.00 0.00 51.96 53.20 2qqf s ALA 6 Cb 0.09 -3.71 -0.10 0.00 0.00 0.00 0.00 23.12 19.40 2qqf s ALA 6 CO 0.62 -1.02 0.90 0.45 0.00 0.00 0.00 175.76 176.71 2qqf s SER 7 N 1.82 7.29 0.00 0.00 0.15 -1.26 -4.86 113.70 116.84 2qqf s SER 7 Ca 0.76 1.76 0.00 0.00 0.70 0.00 0.00 55.95 59.17 2qqf s SER 7 Cb -0.46 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 2qqf s SER 7 CO 0.33 -0.04 0.89 0.35 1.20 0.00 0.00 173.24 175.97 2qqf n THR 8 N 0.61 0.79 -0.27 6.45 -2.24 -1.26 -4.75 114.28 113.61 2qqf n THR 8 Ca 0.01 -0.88 -0.01 0.00 -2.27 0.00 0.00 64.05 60.90 2qqf n THR 8 Cb 0.50 0.61 0.18 0.00 -2.10 0.00 0.00 70.33 69.52 2qqf n THR 8 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2qqf h GLU 9 N 0.00 1.11 -0.39 -0.78 5.08 -1.98 -1.37 114.58 116.25 2qqf h GLU 9 Ca 0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2qqf h GLU 9 Cb 0.42 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2qqf h GLU 9 CO 0.00 0.76 0.10 0.52 -1.00 0.00 0.00 179.01 179.40 2qqf h MET 10 N 1.13 0.61 -0.70 2.33 2.86 -1.99 0.42 114.93 119.59 2qqf h MET 10 Ca 0.30 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 2qqf h MET 10 Cb -0.07 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2qqf h MET 10 CO -0.06 0.63 0.29 0.77 1.06 0.00 0.00 176.91 179.60 2qqf h SER 11 N 0.48 0.96 0.20 1.22 0.02 -1.84 -1.66 113.55 112.94 2qqf h SER 11 Ca 0.12 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 2qqf h SER 11 Cb 0.29 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2qqf h SER 11 CO -0.00 0.86 -0.32 0.58 -1.14 0.00 0.00 176.83 176.81 2qqf h VAL 12 N 1.00 1.26 -0.70 2.27 2.07 -0.96 -2.69 116.25 118.51 2qqf h VAL 12 Ca 0.24 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.53 2qqf h VAL 12 Cb 0.19 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2qqf h VAL 12 CO -0.02 0.38 0.43 -0.09 0.02 0.00 0.00 177.57 178.29 2qqf h ARG 13 N 0.16 0.81 -0.94 1.57 2.43 0.77 -1.95 114.38 117.25 2qqf h ARG 13 Ca 0.02 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2qqf h ARG 13 Cb 0.66 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 2qqf h ARG 13 CO 0.05 0.54 0.60 0.87 -1.51 0.00 0.00 179.97 180.52 2qqf h LYS 14 N 0.84 1.09 -0.28 0.20 1.57 -1.07 0.91 116.57 119.82 2qqf h LYS 14 Ca 0.29 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 2qqf h LYS 14 Cb 0.04 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2qqf h LYS 14 CO -0.12 0.72 0.10 0.82 -0.57 0.00 0.00 179.45 180.40 2qqf h ILE 15 N 1.12 0.94 -0.35 1.86 2.04 -1.35 0.17 117.51 121.92 2qqf h ILE 15 Ca 0.39 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 66.10 2qqf h ILE 15 Cb 0.11 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2qqf h ILE 15 CO -0.15 0.04 -0.08 0.00 0.00 0.00 0.00 178.15 177.95 2qqf h ALA 16 N 1.17 1.19 -0.14 1.87 0.00 -1.10 -2.06 119.26 120.20 2qqf h ALA 16 Ca 0.12 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qqf h ALA 16 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qqf h ALA 16 CO -0.12 0.52 0.08 0.00 0.00 0.00 0.00 179.25 179.73 2qqf h ALA 17 N 1.36 0.18 -0.39 0.00 0.00 0.11 0.05 119.26 120.57 2qqf h ALA 17 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qqf h ALA 17 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2qqf h ALA 17 CO 0.03 -0.29 0.21 1.25 0.00 0.00 0.00 179.25 180.45 2qqf h HIS 18 N 0.13 0.51 -0.07 0.00 6.17 -0.38 -1.06 115.15 120.44 2qqf h HIS 18 Ca 0.05 -0.00 -0.19 0.00 0.71 0.00 0.00 60.37 60.94 2qqf h HIS 18 Cb 0.07 -0.17 -0.00 0.00 2.52 0.00 0.00 27.41 29.83 2qqf h HIS 18 CO -0.04 0.36 -0.76 0.52 0.71 0.00 0.00 177.93 178.71 2qqf h MET 19 N 0.53 0.43 -0.38 5.26 2.86 -0.91 -2.37 114.93 120.35 2qqf h MET 19 Ca 0.14 -0.36 -0.14 0.00 -2.06 0.00 0.00 59.70 57.28 2qqf h MET 19 Cb 0.02 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2qqf h MET 19 CO -0.02 1.01 -0.32 0.87 1.06 0.00 0.00 176.91 179.51 2qqf h LYS 20 N 0.28 0.84 -0.33 1.72 1.57 -0.36 -2.97 116.57 117.31 2qqf h LYS 20 Ca -0.04 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2qqf h LYS 20 Cb 1.35 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2qqf h LYS 20 CO 0.13 1.03 0.03 0.77 -0.57 0.00 0.00 179.45 180.85 2qqf h SER 21 N 0.70 0.55 -2.95 0.86 0.02 -1.21 -3.31 113.55 108.21 2qqf h SER 21 Ca 0.07 -0.28 -0.73 0.00 -0.84 0.00 0.00 61.79 60.01 2qqf h SER 21 Cb 0.87 -0.15 -0.34 0.00 0.14 0.00 0.00 62.40 62.93 2qqf h SER 21 CO 0.08 0.70 0.15 0.59 -1.14 0.00 0.00 176.83 177.21 2qqf n ASN 22 N -4.56 5.01 -0.20 3.07 3.02 -0.90 -4.84 115.26 115.87 2qqf n ASN 22 Ca -0.02 -3.29 0.00 0.00 -0.03 0.00 0.00 54.58 51.25 2qqf n ASN 22 Cb 0.24 -1.07 0.25 0.00 -0.61 0.00 0.00 39.78 38.59 2qqf n ASN 22 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2qqf h PRO 23 N 5.46 0.95 -0.55 3.52 0.13 -1.62 -2.76 132.00 137.13 2qqf h PRO 23 Ca 0.19 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2qqf h PRO 23 Cb 0.72 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.64 2qqf h PRO 23 CO 1.03 0.64 0.00 0.09 -0.23 0.00 0.00 178.00 179.54 2qqf n ASN 24 N -4.41 1.69 -4.97 1.44 4.13 -1.26 -4.89 115.26 106.99 2qqf n ASN 24 Ca 0.07 -2.13 -0.21 0.00 1.68 0.00 0.00 54.58 54.00 2qqf n ASN 24 Cb 0.05 -0.35 0.01 0.00 -1.54 0.00 0.00 39.78 37.95 2qqf n ASN 24 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qqf s ALA 25 N -1.60 4.00 0.23 5.41 0.00 -1.04 -4.91 121.76 123.84 2qqf s ALA 25 Ca 0.14 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.87 2qqf s ALA 25 Cb 0.09 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 2qqf s ALA 25 CO 0.07 -0.30 -0.05 0.15 0.00 0.00 0.00 175.76 175.63 2qqf s LYS 26 N -4.43 1.34 0.09 0.00 1.02 -1.26 -4.73 119.74 111.76 2qqf s LYS 26 Ca 0.49 -1.65 0.07 0.00 0.02 0.00 0.00 55.97 54.89 2qqf s LYS 26 Cb -0.10 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 2qqf s LYS 26 CO 0.35 -0.00 -0.11 0.08 -0.92 0.00 0.00 175.35 174.75 2qqf s VAL 27 N -3.26 3.33 -0.25 3.17 1.01 0.66 -3.25 120.40 121.82 2qqf s VAL 27 Ca 0.26 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 2qqf s VAL 27 Cb 0.04 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2qqf s VAL 27 CO 0.08 0.17 -0.08 -0.63 0.00 0.00 0.00 175.10 174.64 2qqf s ILE 28 N -1.16 2.68 0.18 2.22 -1.09 -0.68 -0.91 121.20 122.45 2qqf s ILE 28 Ca 0.20 -1.16 -0.06 0.00 -2.23 0.00 0.00 60.65 57.40 2qqf s ILE 28 Cb -0.11 -2.39 -0.06 0.00 -1.58 0.00 0.00 42.46 38.32 2qqf s ILE 28 CO 0.12 0.16 0.44 -0.36 -1.23 0.00 0.00 174.94 174.07 2qqf s PHE 29 N 1.28 3.46 -0.18 3.97 0.40 -0.10 -1.06 117.98 125.74 2qqf s PHE 29 Ca -0.01 0.63 -0.05 0.00 -0.60 0.00 0.00 56.93 56.90 2qqf s PHE 29 Cb -0.17 -2.07 0.07 0.00 0.51 0.00 0.00 43.02 41.36 2qqf s PHE 29 CO -0.05 0.36 0.11 -1.64 0.70 0.00 0.00 175.22 174.70 2qqf s MET 30 N -2.84 0.09 0.36 0.44 -1.94 -0.94 -0.28 119.30 114.19 2qqf s MET 30 Ca 0.43 -0.04 0.05 0.00 -1.71 0.00 0.00 55.69 54.42 2qqf s MET 30 Cb -0.12 -1.71 -0.07 0.00 2.01 0.00 0.00 34.83 34.95 2qqf s MET 30 CO 0.25 -0.68 0.04 0.14 -0.01 0.00 0.00 175.02 174.76 2qqf s VAL 31 N 2.17 1.56 0.00 -6.03 -7.23 0.33 -0.42 120.40 110.78 2qqf s VAL 31 Ca 0.03 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2qqf s VAL 31 Cb -0.16 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2qqf s VAL 31 CO -0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2qqf n GLY 32 N -0.82 3.88 0.40 2.32 0.00 -0.64 -2.28 105.19 108.04 2qqf n GLY 32 Ca -0.04 -1.46 0.20 0.00 0.00 0.00 0.00 46.02 44.72 2qqf n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqf h ALA 33 N 1.21 2.08 -0.92 4.61 0.00 -1.81 -2.11 119.26 122.32 2qqf h ALA 33 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qqf h ALA 33 Cb 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2qqf h ALA 33 CO 0.00 -0.78 0.61 0.78 0.00 0.00 0.00 179.25 179.86 2qqf h GLY 34 N 0.00 1.30 1.58 0.00 0.00 -1.11 -2.34 103.07 102.51 2qqf h GLY 34 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2qqf h GLY 34 CO -0.00 0.46 0.00 0.29 0.00 0.00 0.00 176.54 177.29 2qqf n ILE 35 N -4.40 0.48 0.26 2.60 -5.35 -0.79 -3.08 119.36 109.07 2qqf n ILE 35 Ca 0.11 0.12 0.03 0.00 -0.27 0.00 0.00 62.75 62.74 2qqf n ILE 35 Cb 0.03 -0.82 0.02 0.00 -1.74 0.00 0.00 39.64 37.13 2qqf n ILE 35 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2qqf n SER 36 N -1.29 1.44 -0.22 7.28 7.64 -0.89 -4.71 113.62 122.87 2qqf n SER 36 Ca 0.08 -1.22 -0.07 0.00 1.01 0.00 0.00 58.87 58.68 2qqf n SER 36 Cb 0.14 0.06 0.03 0.00 -1.01 0.00 0.00 64.21 63.44 2qqf n SER 36 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2qqf h THR 37 N 1.14 1.20 0.00 0.44 1.35 -1.46 -1.74 112.91 113.84 2qqf h THR 37 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2qqf h THR 37 Cb 0.25 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 2qqf h THR 37 CO 0.00 0.21 0.00 -1.54 -0.25 0.00 0.00 175.52 173.94 2qqf n SER 38 N -4.57 0.00 -0.10 5.36 3.41 -1.26 -1.67 113.62 114.79 2qqf n SER 38 Ca 0.04 0.36 0.14 0.00 -0.26 0.00 0.00 58.87 59.15 2qqf n SER 38 Cb 0.09 -0.41 0.55 0.00 -0.26 0.00 0.00 64.21 64.18 2qqf n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qqf n GLY 40 N 1.33 0.74 3.65 0.00 0.00 -0.67 -4.66 105.19 105.59 2qqf n GLY 40 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2qqf n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqf s ILE 41 N -2.49 3.50 0.15 -0.61 1.01 -1.26 -4.94 121.20 116.55 2qqf s ILE 41 Ca 0.00 0.58 -0.31 0.00 0.00 0.00 0.00 60.65 60.93 2qqf s ILE 41 Cb 0.00 -3.43 -0.08 0.00 0.01 0.00 0.00 42.46 38.95 2qqf s ILE 41 CO 0.00 -0.12 1.37 -2.16 0.00 0.00 0.00 174.94 174.03 2qqf s PRO 42 N 4.46 4.34 -0.32 2.79 0.04 -1.26 -4.87 135.00 140.17 2qqf s PRO 42 Ca 0.77 2.09 -0.28 0.00 0.04 0.00 0.00 61.00 63.62 2qqf s PRO 42 Cb -0.32 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.01 2qqf s PRO 42 CO 0.31 -0.38 1.01 0.34 0.04 0.00 0.00 177.00 178.33 2qqf s ASP 43 N 0.80 6.86 0.42 6.66 -1.08 -1.26 -4.91 116.67 124.15 2qqf s ASP 43 Ca 0.62 0.93 0.29 0.00 -0.52 0.00 0.00 52.55 53.87 2qqf s ASP 43 Cb -0.37 -2.51 1.42 0.00 -1.46 0.00 0.00 42.92 40.00 2qqf s ASP 43 CO 0.34 -0.83 1.89 2.19 0.52 0.00 0.00 175.17 179.28 2qqf h PHE 44 N 8.13 0.00 -0.01 -5.34 -5.15 -1.96 -1.53 116.94 111.09 2qqf h PHE 44 Ca -0.21 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.56 2qqf h PHE 44 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.24 2qqf h PHE 44 CO 0.82 0.00 -0.24 0.54 -2.00 0.00 0.00 178.31 177.43 2qqf n ARG 45 N -2.59 0.90 -3.69 6.09 1.74 -1.26 -4.46 116.66 113.39 2qqf n ARG 45 Ca -0.00 -0.53 -0.37 0.00 -0.77 0.00 0.00 57.85 56.18 2qqf n ARG 45 Cb 0.15 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.00 2qqf n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2qqf s SER 46 N -2.47 5.91 0.00 0.55 0.15 -0.58 -4.96 113.70 112.31 2qqf s SER 46 Ca 0.25 0.04 0.06 0.00 0.70 0.00 0.00 55.95 57.00 2qqf s SER 46 Cb 0.19 -2.07 0.34 0.00 -1.71 0.00 0.00 66.02 62.78 2qqf s SER 46 CO 0.51 0.03 0.86 -2.65 1.20 0.00 0.00 173.24 173.19 2qqf n PRO 47 N 4.49 0.17 0.02 5.44 -0.02 -1.26 -2.03 135.00 141.80 2qqf n PRO 47 Ca -0.15 0.04 -0.07 0.00 -2.02 0.00 0.00 63.50 61.30 2qqf n PRO 47 Cb 0.52 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.38 2qqf n PRO 47 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2qqf h GLY 48 N 0.93 0.00 -2.10 -1.23 0.00 -1.93 -3.47 103.07 95.28 2qqf h GLY 48 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2qqf h GLY 48 CO 0.00 0.00 0.32 -0.51 0.00 0.00 0.00 176.54 176.35 2qqf s THR 49 N -2.67 4.44 0.04 4.70 -4.23 -0.86 -4.96 115.64 112.09 2qqf s THR 49 Ca -0.02 1.40 0.19 0.00 -1.18 0.00 0.00 61.69 62.08 2qqf s THR 49 Cb 0.09 -3.62 0.15 0.00 1.34 0.00 0.00 72.50 70.46 2qqf s THR 49 CO 0.82 -0.35 1.67 1.23 -0.54 0.00 0.00 174.62 177.45 2qqf h GLY 50 N 1.82 0.00 0.95 3.99 0.00 -1.90 -3.08 103.07 104.85 2qqf h GLY 50 Ca -0.49 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.85 2qqf h GLY 50 CO 0.61 0.00 0.21 -2.00 0.00 0.00 0.00 176.54 175.37 2qqf h LEU 51 N 0.00 0.35 -0.58 3.11 5.85 -1.92 -2.27 115.31 119.86 2qqf h LEU 51 Ca -0.00 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.80 2qqf h LEU 51 Cb 1.00 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2qqf h LEU 51 CO 0.05 0.26 0.21 0.22 -0.34 0.00 0.00 178.44 178.83 2qqf h TYR 52 N 0.43 0.36 -0.15 1.25 3.20 -1.75 -2.29 116.97 118.02 2qqf h TYR 52 Ca 0.13 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 2qqf h TYR 52 Cb -0.02 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 2qqf h TYR 52 CO -0.07 0.09 -0.34 0.45 -1.64 0.00 0.00 178.16 176.66 2qqf h HIS 53 N 0.39 0.35 -0.10 -3.82 3.86 -1.50 0.56 115.15 114.88 2qqf h HIS 53 Ca 0.29 -0.08 -0.15 0.00 -1.16 0.00 0.00 60.37 59.27 2qqf h HIS 53 Cb 0.35 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 2qqf h HIS 53 CO -0.17 0.61 -0.59 -0.91 0.86 0.00 0.00 177.93 177.73 2qqf h ASN 54 N 0.27 0.38 0.01 2.45 2.35 -1.14 0.00 115.58 119.90 2qqf h ASN 54 Ca 0.03 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2qqf h ASN 54 Cb 0.73 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.99 2qqf h ASN 54 CO 0.06 0.88 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.65 2qqf h LEU 55 N 0.26 -0.01 -0.84 1.61 3.38 -1.03 0.70 115.31 119.37 2qqf h LEU 55 Ca -0.00 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.76 2qqf h LEU 55 Cb 1.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 2qqf h LEU 55 CO 0.10 0.27 0.51 0.00 0.09 0.00 0.00 178.44 179.41 2qqf h ALA 56 N 0.70 1.16 -0.28 1.53 0.00 -0.73 -1.93 119.26 119.72 2qqf h ALA 56 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2qqf h ALA 56 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2qqf h ALA 56 CO 0.00 0.23 0.07 0.00 0.00 0.00 0.00 179.25 179.55 2qqf h ARG 57 N 0.92 0.44 -0.03 0.00 3.08 -0.75 -2.01 114.38 116.03 2qqf h ARG 57 Ca 0.37 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2qqf h ARG 57 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2qqf h ARG 57 CO -0.19 0.53 0.00 1.28 -1.07 0.00 0.00 179.97 180.52 2qqf n LEU 58 N -4.69 0.03 -1.59 3.04 4.77 0.22 -4.76 117.00 114.00 2qqf n LEU 58 Ca -0.03 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.79 2qqf n LEU 58 Cb 0.18 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2qqf n LEU 58 CO 0.37 0.01 -0.18 0.29 -1.33 0.00 0.00 177.39 176.54 2qqf n LYS 59 N -0.40 -1.19 -2.00 3.23 5.02 -0.76 -4.94 118.16 117.14 2qqf n LYS 59 Ca 0.00 0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 56.71 2qqf n LYS 59 Cb 0.01 -5.14 -0.03 0.00 -0.02 0.00 0.00 35.03 29.85 2qqf n LYS 59 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qqf s LEU 60 N -4.17 4.37 0.52 -0.35 2.96 -0.97 -4.88 118.68 116.14 2qqf s LEU 60 Ca 0.00 2.49 0.17 0.00 -0.22 0.00 0.00 54.13 56.57 2qqf s LEU 60 Cb 0.00 -3.58 1.28 0.00 0.50 0.00 0.00 46.19 44.39 2qqf s LEU 60 CO 0.00 -0.80 2.14 1.55 -1.32 0.00 0.00 176.35 177.92 2qqf h PRO 61 N 7.29 0.00 -1.32 0.98 0.13 -1.93 -3.44 132.00 133.71 2qqf h PRO 61 Ca -0.42 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.89 2qqf h PRO 61 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.09 2qqf h PRO 61 CO 0.91 0.02 0.78 1.52 -0.23 0.00 0.00 178.00 180.99 2qqf s TYR 62 N -4.99 -0.18 0.00 1.56 -0.85 -1.26 -5.09 117.35 106.54 2qqf s TYR 62 Ca -0.05 0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 2qqf s TYR 62 Cb 0.17 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.99 2qqf s TYR 62 CO 0.66 -0.18 0.75 -2.30 -1.52 0.00 0.00 175.55 172.96 2qqf n PRO 63 N 0.50 0.00 0.00 -3.49 -0.02 -1.26 -1.73 135.00 129.00 2qqf n PRO 63 Ca -0.04 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2qqf n PRO 63 Cb 0.58 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2qqf n PRO 63 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qqf n GLU 64 N -2.55 0.00 0.19 -0.52 1.02 -1.26 -1.57 120.64 115.95 2qqf n GLU 64 Ca 0.00 0.35 0.14 0.00 -0.02 0.00 0.00 57.16 57.63 2qqf n GLU 64 Cb 0.00 -1.60 0.57 0.00 -0.02 0.00 0.00 31.44 30.39 2qqf n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qqf h ALA 65 N 1.54 1.00 0.00 0.62 0.00 -1.75 -2.20 119.26 118.47 2qqf h ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qqf h ALA 65 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qqf h ALA 65 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 179.25 179.01 2qqf h VAL 66 N 0.00 0.00 -0.53 0.00 3.04 -1.47 -2.07 116.25 115.21 2qqf h VAL 66 Ca 0.00 -0.23 -0.37 0.00 -1.01 0.00 0.00 66.70 65.08 2qqf h VAL 66 Cb 0.44 0.97 -0.27 0.00 -2.01 0.00 0.00 31.29 30.42 2qqf h VAL 66 CO 0.00 0.00 -0.51 0.49 -1.01 0.00 0.00 177.57 176.54 2qqf n PHE 67 N -2.39 1.88 -4.12 3.17 0.99 -0.83 -4.63 117.46 111.54 2qqf n PHE 67 Ca 0.01 -2.03 -0.34 0.00 -0.00 0.00 0.00 57.45 55.09 2qqf n PHE 67 Cb 0.21 -0.43 -0.14 0.00 -1.00 0.00 0.00 39.48 38.12 2qqf n PHE 67 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2qqf s ASP 68 N -3.23 4.02 0.14 4.37 2.15 -0.78 -1.42 116.67 121.92 2qqf s ASP 68 Ca 0.48 -0.43 -0.27 0.00 0.43 0.00 0.00 52.55 52.77 2qqf s ASP 68 Cb 0.41 -1.66 -0.02 0.00 -0.30 0.00 0.00 42.92 41.34 2qqf s ASP 68 CO 0.00 0.02 1.60 0.58 -0.17 0.00 0.00 175.17 177.20 2qqf h VAL 69 N 5.69 0.23 -0.92 1.11 2.07 -1.88 -0.50 116.25 122.05 2qqf h VAL 69 Ca -0.39 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.19 2qqf h VAL 69 Cb 1.17 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2qqf h VAL 69 CO 0.60 0.00 0.60 0.44 0.02 0.00 0.00 177.57 179.23 2qqf h ASP 70 N -0.41 0.95 -0.13 0.57 3.45 -1.95 -2.02 116.42 116.88 2qqf h ASP 70 Ca 0.10 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.48 2qqf h ASP 70 Cb 0.57 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 2qqf h ASP 70 CO -0.39 0.62 -0.26 0.15 -1.57 0.00 0.00 179.24 177.80 2qqf h PHE 71 N 1.08 0.50 -0.48 4.55 3.57 -1.72 -2.67 116.94 121.76 2qqf h PHE 71 Ca 0.39 -0.18 0.10 0.00 3.53 0.00 0.00 57.97 61.80 2qqf h PHE 71 Cb 0.15 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 38.71 2qqf h PHE 71 CO -0.00 0.87 -0.05 0.35 -2.23 0.00 0.00 178.31 177.25 2qqf h PHE 72 N -0.02 -0.13 -0.14 0.41 3.57 -0.79 0.24 116.94 120.08 2qqf h PHE 72 Ca 0.00 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2qqf h PHE 72 Cb 0.85 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2qqf h PHE 72 CO 0.10 -0.15 -0.05 1.96 -2.23 0.00 0.00 178.31 177.94 2qqf h GLN 73 N 0.06 0.21 0.00 1.11 4.20 -1.36 -1.58 115.11 117.76 2qqf h GLN 73 Ca 0.24 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 2qqf h GLN 73 Cb 0.37 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2qqf h GLN 73 CO -0.45 0.28 -0.70 0.66 -0.67 0.00 0.00 178.83 177.95 2qqf h SER 74 N 0.21 0.00 -0.64 1.46 4.64 -0.77 -3.44 113.55 115.01 2qqf h SER 74 Ca 0.05 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.46 2qqf h SER 74 Cb 0.22 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.12 2qqf h SER 74 CO 0.01 0.46 -0.23 -0.62 -0.87 0.00 0.00 176.83 175.58 2qqf s ASP 75 N -6.24 -1.02 0.00 4.97 2.15 0.68 -5.06 116.67 112.16 2qqf s ASP 75 Ca 0.02 -0.10 0.28 0.00 0.43 0.00 0.00 52.55 53.19 2qqf s ASP 75 Cb 0.08 1.52 1.10 0.00 -0.30 0.00 0.00 42.92 45.32 2qqf s ASP 75 CO 0.76 -0.16 1.83 -0.81 -0.17 0.00 0.00 175.17 176.62 2qqf n PRO 76 N 4.85 0.01 -0.22 4.34 -0.04 -0.64 -4.24 135.00 139.07 2qqf n PRO 76 Ca 0.08 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2qqf n PRO 76 Cb 0.57 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.65 2qqf n PRO 76 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2qqf h LEU 77 N 0.01 0.32 0.01 1.53 5.85 -1.96 -1.44 115.31 119.63 2qqf h LEU 77 Ca 0.00 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2qqf h LEU 77 Cb 0.50 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2qqf h LEU 77 CO 0.00 0.19 -0.23 -0.65 -0.34 0.00 0.00 178.44 177.41 2qqf h PRO 78 N 0.49 -0.35 -0.57 5.25 0.11 -1.92 0.32 132.00 135.33 2qqf h PRO 78 Ca 0.32 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.49 2qqf h PRO 78 Cb 0.37 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.52 2qqf h PRO 78 CO -0.29 -0.23 0.33 0.35 -0.21 0.00 0.00 178.00 177.95 2qqf h PHE 79 N -0.36 0.62 -0.64 0.65 3.57 -1.74 -1.36 116.94 117.68 2qqf h PHE 79 Ca 0.06 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2qqf h PHE 79 Cb 0.44 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2qqf h PHE 79 CO -0.26 0.34 0.42 1.88 -2.23 0.00 0.00 178.31 178.45 2qqf h TYR 80 N 0.65 0.74 -0.37 0.41 -1.99 -0.89 0.11 116.97 115.63 2qqf h TYR 80 Ca 0.23 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.84 2qqf h TYR 80 Cb 0.06 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.53 2qqf h TYR 80 CO -0.07 0.44 -0.32 1.15 -0.00 0.00 0.00 178.16 179.36 2qqf h THR 81 N 0.77 1.28 -0.03 -2.88 2.02 -0.06 -1.88 112.91 112.12 2qqf h THR 81 Ca 0.25 -1.48 -0.18 0.00 0.77 0.00 0.00 66.41 65.77 2qqf h THR 81 Cb 0.04 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2qqf h THR 81 CO -0.07 0.49 -0.75 0.25 0.37 0.00 0.00 175.52 175.81 2qqf h LEU 82 N 0.70 0.29 -0.50 2.58 6.46 -0.63 -3.02 115.31 121.18 2qqf h LEU 82 Ca 0.07 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.59 2qqf h LEU 82 Cb 0.88 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 2qqf h LEU 82 CO 0.08 0.93 0.16 0.00 -0.62 0.00 0.00 178.44 178.99 2qqf h ALA 83 N 1.06 0.66 -0.98 1.25 0.00 -0.64 0.11 119.26 120.71 2qqf h ALA 83 Ca -0.03 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2qqf h ALA 83 Cb 1.32 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2qqf h ALA 83 CO 0.12 0.31 0.64 -0.22 0.00 0.00 0.00 179.25 180.10 2qqf h LYS 84 N 0.68 1.15 0.06 0.00 3.64 -1.27 0.12 116.57 120.96 2qqf h LYS 84 Ca 0.16 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 59.22 2qqf h LYS 84 Cb 0.27 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2qqf h LYS 84 CO -0.01 0.76 -1.21 1.49 -2.27 0.00 0.00 179.45 178.21 2qqf h GLU 85 N 1.19 0.14 -0.30 1.90 4.81 -1.35 -3.36 114.58 117.60 2qqf h GLU 85 Ca 0.41 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2qqf h GLU 85 Cb 0.10 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2qqf h GLU 85 CO -0.15 1.06 0.00 1.28 -0.73 0.00 0.00 179.01 180.48 2qqf n LEU 86 N -3.41 3.23 -4.67 1.64 4.77 0.34 -4.99 117.00 113.90 2qqf n LEU 86 Ca -0.07 -1.42 -0.44 0.00 -0.03 0.00 0.00 56.01 54.06 2qqf n LEU 86 Cb 0.99 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 2qqf n LEU 86 CO 0.50 0.68 0.93 0.00 -1.33 0.00 0.00 177.39 178.17 2qqf n TYR 87 N 1.34 2.14 -1.66 -1.77 9.36 0.40 -4.88 117.16 122.09 2qqf n TYR 87 Ca 0.17 0.50 -0.47 0.00 3.32 0.00 0.00 57.90 61.42 2qqf n TYR 87 Cb 0.57 -2.43 -0.04 0.00 -0.63 0.00 0.00 39.34 36.81 2qqf n TYR 87 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2qqf n PRO 88 N 1.35 1.97 0.00 2.98 -0.02 -1.26 -2.44 135.00 137.58 2qqf n PRO 88 Ca 0.09 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2qqf n PRO 88 Cb 0.33 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2qqf n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qqf n GLY 89 N 3.13 2.06 0.04 -1.23 0.00 -1.26 -4.92 105.19 103.01 2qqf n GLY 89 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2qqf n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qqf n ASN 90 N 0.00 0.37 -4.27 1.61 3.02 -1.02 -4.88 115.26 110.08 2qqf n ASN 90 Ca 0.00 0.49 -0.22 0.00 -0.03 0.00 0.00 54.58 54.82 2qqf n ASN 90 Cb 0.00 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.51 2qqf n ASN 90 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2qqf s PHE 91 N -3.05 1.79 0.16 3.10 0.40 -1.26 -5.12 117.98 114.01 2qqf s PHE 91 Ca 0.12 -1.15 0.10 0.00 -0.60 0.00 0.00 56.93 55.40 2qqf s PHE 91 Cb 0.16 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 2qqf s PHE 91 CO 0.57 -0.21 -0.23 1.03 0.70 0.00 0.00 175.22 177.09 2qqf s ARG 92 N -3.85 1.38 0.48 0.44 1.81 -1.26 -5.11 118.95 112.84 2qqf s ARG 92 Ca 0.32 -1.41 -0.24 0.00 -1.72 0.00 0.00 55.73 52.68 2qqf s ARG 92 Cb 0.06 -1.65 -0.07 0.00 -0.45 0.00 0.00 34.95 32.84 2qqf s ARG 92 CO 0.15 0.36 1.34 -2.14 -0.68 0.00 0.00 175.30 174.34 2qqf s PRO 93 N -2.49 3.53 0.69 3.54 0.02 -1.26 -4.81 135.00 134.23 2qqf s PRO 93 Ca 0.16 2.22 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 2qqf s PRO 93 Cb -0.08 -2.49 0.07 0.00 0.02 0.00 0.00 34.50 32.02 2qqf s PRO 93 CO 0.08 -0.87 0.99 -1.54 -0.33 0.00 0.00 177.00 175.33 2qqf s SER 94 N -0.83 4.76 0.34 2.53 1.04 -1.26 -4.93 113.70 115.34 2qqf s SER 94 Ca 0.65 0.29 0.02 0.00 0.48 0.00 0.00 55.95 57.39 2qqf s SER 94 Cb -0.39 -0.92 0.62 0.00 0.10 0.00 0.00 66.02 65.42 2qqf s SER 94 CO 0.49 -1.61 1.99 0.50 0.98 0.00 0.00 173.24 175.59 2qqf h LYS 95 N -0.54 0.81 -0.64 4.02 3.64 -1.93 -1.54 116.57 120.39 2qqf h LYS 95 Ca -0.43 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 2qqf h LYS 95 Cb 1.30 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2qqf h LYS 95 CO 0.56 0.57 0.10 0.35 -2.27 0.00 0.00 179.45 178.76 2qqf h PHE 96 N 0.83 1.12 -0.69 1.91 3.57 -1.88 -1.83 116.94 119.96 2qqf h PHE 96 Ca 0.22 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.61 2qqf h PHE 96 Cb -0.04 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.34 2qqf h PHE 96 CO 0.00 0.94 0.42 0.45 -2.23 0.00 0.00 178.31 177.89 2qqf h HIS 97 N 0.99 0.77 0.00 0.41 3.86 -1.60 -0.85 115.15 118.73 2qqf h HIS 97 Ca 0.20 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.39 2qqf h HIS 97 Cb 0.43 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2qqf h HIS 97 CO 0.03 0.41 -0.19 1.88 0.86 0.00 0.00 177.93 180.92 2qqf h TYR 98 N 0.79 0.00 -0.61 2.45 -1.99 -1.11 -2.37 116.97 114.13 2qqf h TYR 98 Ca 0.29 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.98 2qqf h TYR 98 Cb 0.10 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 2qqf h TYR 98 CO -0.06 0.19 0.21 1.25 -0.00 0.00 0.00 178.16 179.75 2qqf h LEU 99 N 0.00 0.83 -0.63 3.88 5.85 -0.31 0.54 115.31 125.47 2qqf h LEU 99 Ca -0.00 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2qqf h LEU 99 Cb 0.58 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2qqf h LEU 99 CO 0.02 0.77 0.25 -0.07 -0.34 0.00 0.00 178.44 179.07 2qqf h LEU 100 N 0.88 0.88 -0.62 2.25 3.38 -1.20 -1.48 115.31 119.40 2qqf h LEU 100 Ca 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2qqf h LEU 100 Cb 0.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2qqf h LEU 100 CO -0.01 0.81 0.32 0.50 0.09 0.00 0.00 178.44 180.14 2qqf h LYS 101 N 0.89 0.87 -0.29 1.13 1.63 -1.13 -1.48 116.57 118.19 2qqf h LYS 101 Ca 0.21 -0.12 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2qqf h LYS 101 Cb 0.21 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 2qqf h LYS 101 CO -0.02 0.68 0.14 1.25 -3.45 0.00 0.00 179.45 178.06 2qqf h LEU 102 N 0.84 0.21 -1.59 5.20 5.85 -0.64 -0.80 115.31 124.39 2qqf h LEU 102 Ca 0.21 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2qqf h LEU 102 Cb 0.08 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2qqf h LEU 102 CO -0.03 0.16 0.31 -0.26 -0.34 0.00 0.00 178.44 178.28 2qqf h PHE 103 N 0.30 0.53 -0.15 1.25 -1.00 -0.88 0.91 116.94 117.90 2qqf h PHE 103 Ca 0.12 0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.78 2qqf h PHE 103 Cb 0.03 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 2qqf h PHE 103 CO -0.09 0.32 -0.47 0.37 -1.61 0.00 0.00 178.31 176.82 2qqf h GLN 104 N 0.55 0.39 -0.12 1.51 4.15 -0.45 0.24 115.11 121.38 2qqf h GLN 104 Ca 0.18 -0.21 -0.18 0.00 0.77 0.00 0.00 58.65 59.21 2qqf h GLN 104 Cb 0.05 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 2qqf h GLN 104 CO -0.04 0.78 -0.66 -0.44 -1.93 0.00 0.00 178.83 176.54 2qqf h ASP 105 N 0.31 0.55 -0.20 -0.69 3.32 0.33 -2.77 116.42 117.28 2qqf h ASP 105 Ca 0.02 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2qqf h ASP 105 Cb 0.95 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2qqf h ASP 105 CO 0.08 1.06 0.00 0.29 -1.72 0.00 0.00 179.24 178.95 2qqf n LYS 106 N -3.89 1.59 -2.92 3.56 4.76 0.14 -4.89 118.16 116.51 2qqf n LYS 106 Ca -0.04 -0.78 -0.17 0.00 -2.87 0.00 0.00 58.31 54.45 2qqf n LYS 106 Cb 0.66 -1.26 -0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2qqf n LYS 106 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2qqf n ASP 107 N 0.12 -3.70 -0.60 4.39 2.03 -0.83 -4.83 116.55 113.13 2qqf n ASP 107 Ca 0.07 -0.09 0.07 0.00 0.52 0.00 0.00 54.79 55.36 2qqf n ASP 107 Cb 0.24 -3.10 0.19 0.00 -0.72 0.00 0.00 41.12 37.72 2qqf n ASP 107 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2qqf n VAL 108 N -3.64 1.75 -3.74 5.18 0.24 0.01 -4.88 118.33 113.24 2qqf n VAL 108 Ca -0.07 -1.61 -0.37 0.00 -2.04 0.00 0.00 64.34 60.24 2qqf n VAL 108 Cb 0.57 0.03 -0.12 0.00 -1.47 0.00 0.00 33.84 32.84 2qqf n VAL 108 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2qqf s LEU 109 N -2.16 3.83 -0.10 1.34 2.96 -1.15 -0.24 118.68 123.16 2qqf s LEU 109 Ca 0.31 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2qqf s LEU 109 Cb 0.24 -1.91 -0.24 0.00 0.50 0.00 0.00 46.19 44.78 2qqf s LEU 109 CO 0.09 -0.17 0.44 1.17 -1.32 0.00 0.00 176.35 176.56 2qqf n LYS 110 N 4.90 0.70 -3.63 1.98 3.00 -0.09 -4.86 118.16 120.16 2qqf n LYS 110 Ca -0.15 0.26 -0.03 0.00 -0.00 0.00 0.00 58.31 58.39 2qqf n LYS 110 Cb 0.49 -1.72 -0.03 0.00 0.00 0.00 0.00 35.03 33.76 2qqf n LYS 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2qqf s ARG 111 N -2.57 0.13 -0.20 1.64 6.06 -1.20 -4.87 118.95 117.94 2qqf s ARG 111 Ca -0.15 -0.02 -0.03 0.00 -2.50 0.00 0.00 55.73 53.03 2qqf s ARG 111 Cb 0.07 0.06 0.06 0.00 0.06 0.00 0.00 34.95 35.20 2qqf s ARG 111 CO 0.79 -0.05 0.04 0.54 -2.50 0.00 0.00 175.30 174.12 2qqf s VAL 112 N -1.72 0.45 -0.37 7.11 0.11 -0.60 -0.92 120.40 124.46 2qqf s VAL 112 Ca 0.10 -0.54 -0.19 0.00 -2.93 0.00 0.00 61.98 58.42 2qqf s VAL 112 Cb -0.01 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2qqf s VAL 112 CO -0.05 -0.24 0.55 -0.31 -3.33 0.00 0.00 175.10 171.73 2qqf s TYR 113 N 1.89 3.16 -0.08 1.54 1.51 0.62 -2.18 117.35 123.81 2qqf s TYR 113 Ca -0.00 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 2qqf s TYR 113 Cb -0.17 -3.03 -0.02 0.00 -0.11 0.00 0.00 41.96 38.63 2qqf s TYR 113 CO -0.09 -0.61 -0.13 -0.08 -1.11 0.00 0.00 175.55 173.53 2qqf s THR 114 N 2.51 3.09 -2.98 -0.71 -1.32 -0.50 -0.51 115.64 115.23 2qqf s THR 114 Ca 0.20 -0.69 0.24 0.00 -1.21 0.00 0.00 61.69 60.23 2qqf s THR 114 Cb -0.15 -2.24 0.20 0.00 -1.51 0.00 0.00 72.50 68.80 2qqf s THR 114 CO 0.14 0.57 1.28 0.00 -2.21 0.00 0.00 174.62 174.40 2qqf n GLN 115 N 2.73 2.32 -2.22 7.08 10.64 -0.97 -2.34 117.38 134.62 2qqf n GLN 115 Ca -0.18 -1.91 -0.32 0.00 -1.83 0.00 0.00 57.00 52.76 2qqf n GLN 115 Cb 0.52 -1.46 -0.02 0.00 -0.86 0.00 0.00 30.24 28.43 2qqf n GLN 115 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2qqf s ASN 116 N -1.99 6.32 0.00 2.61 0.01 -1.26 -4.59 114.94 116.03 2qqf s ASN 116 Ca 0.28 1.62 0.09 0.00 -0.71 0.00 0.00 52.86 54.14 2qqf s ASN 116 Cb 0.20 -2.51 0.15 0.00 0.41 0.00 0.00 41.25 39.50 2qqf s ASN 116 CO 0.30 -0.80 0.98 2.30 -1.51 0.00 0.00 177.10 178.38 2qqf n ILE 117 N -1.88 0.49 0.68 0.60 -5.35 -1.26 -4.54 119.36 108.09 2qqf n ILE 117 Ca 0.07 -0.74 0.12 0.00 -0.27 0.00 0.00 62.75 61.92 2qqf n ILE 117 Cb 0.54 0.85 0.47 0.00 -1.74 0.00 0.00 39.64 39.76 2qqf n ILE 117 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2qqf n ASP 118 N 0.39 0.33 -3.98 7.28 3.85 -1.26 -4.65 116.55 118.51 2qqf n ASP 118 Ca 0.07 0.55 -0.30 0.00 -0.71 0.00 0.00 54.79 54.40 2qqf n ASP 118 Cb 0.30 -0.63 0.01 0.00 -1.35 0.00 0.00 41.12 39.45 2qqf n ASP 118 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2qqf n THR 119 N -1.83 -2.12 0.30 2.12 -2.24 -1.26 -4.71 114.28 104.54 2qqf n THR 119 Ca 0.05 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 2qqf n THR 119 Cb 0.30 -2.61 0.26 0.00 -2.10 0.00 0.00 70.33 66.19 2qqf n THR 119 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2qqf h LEU 120 N -1.89 0.00 0.26 3.22 3.38 -1.95 -2.54 115.31 115.80 2qqf h LEU 120 Ca -0.59 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 2qqf h LEU 120 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2qqf h LEU 120 CO 0.69 0.00 -0.13 -0.33 0.09 0.00 0.00 178.44 178.76 2qqf h GLU 121 N 0.00 -0.34 -0.17 1.13 3.07 -1.93 -0.99 114.58 115.36 2qqf h GLU 121 Ca 0.00 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 2qqf h GLU 121 Cb 0.90 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 2qqf h GLU 121 CO 0.00 -0.00 0.08 -0.09 -1.40 0.00 0.00 179.01 177.59 2qqf h ARG 122 N -0.73 0.16 -0.05 2.33 2.43 -1.75 -1.55 114.38 115.23 2qqf h ARG 122 Ca -0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2qqf h ARG 122 Cb 0.49 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2qqf h ARG 122 CO 0.06 0.11 0.06 0.37 -1.51 0.00 0.00 179.97 179.06 2qqf h GLN 123 N 0.17 0.00 -0.10 0.20 4.15 -1.45 0.90 115.11 118.97 2qqf h GLN 123 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2qqf h GLN 123 Cb 0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2qqf h GLN 123 CO -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.85 2qqf n ALA 124 N -2.29 2.55 0.00 3.38 0.00 -0.38 -4.93 120.51 118.83 2qqf n ALA 124 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2qqf n ALA 124 Cb 0.15 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2qqf n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qqf n GLY 125 N 1.13 0.48 3.71 0.00 0.00 0.31 -4.82 105.19 106.01 2qqf n GLY 125 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qqf n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qqf s VAL 126 N -2.00 3.01 0.56 1.61 1.01 -0.85 -4.94 120.40 118.80 2qqf s VAL 126 Ca 0.00 0.68 -0.20 0.00 0.00 0.00 0.00 61.98 62.46 2qqf s VAL 126 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2qqf s VAL 126 CO 0.00 0.04 1.25 -0.54 0.00 0.00 0.00 175.10 175.86 2qqf s LYS 127 N 1.40 3.11 0.22 2.72 1.02 -1.26 -4.35 119.74 122.59 2qqf s LYS 127 Ca 0.68 1.97 -0.08 0.00 0.02 0.00 0.00 55.97 58.56 2qqf s LYS 127 Cb -0.40 -2.10 0.33 0.00 -0.52 0.00 0.00 37.83 35.15 2qqf s LYS 127 CO 0.31 -1.14 1.75 0.22 -0.92 0.00 0.00 175.35 175.57 2qqf h ASP 128 N 1.21 0.29 -0.98 2.83 1.82 -1.94 -2.08 116.42 117.57 2qqf h ASP 128 Ca -0.50 0.08 0.15 0.00 -0.39 0.00 0.00 57.03 56.36 2qqf h ASP 128 Cb 1.29 0.05 -0.09 0.00 0.68 0.00 0.00 39.33 41.26 2qqf h ASP 128 CO 0.56 0.16 0.60 -0.78 -1.61 0.00 0.00 179.24 178.17 2qqf h ASP 129 N 0.46 0.83 -0.01 2.28 3.58 -2.03 -1.79 116.42 119.74 2qqf h ASP 129 Ca 0.34 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.86 2qqf h ASP 129 Cb 0.43 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2qqf h ASP 129 CO -0.32 0.39 0.00 0.18 -2.88 0.00 0.00 179.24 176.61 2qqf n LEU 130 N -4.70 0.59 -4.65 2.28 4.77 -0.79 -4.90 117.00 109.59 2qqf n LEU 130 Ca 0.20 -0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2qqf n LEU 130 Cb 0.43 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.42 2qqf n LEU 130 CO 0.25 0.10 -0.33 -0.63 -1.33 0.00 0.00 177.39 175.45 2qqf s ILE 131 N -1.99 4.11 -0.33 -0.08 1.01 -0.67 -1.56 121.20 121.69 2qqf s ILE 131 Ca 0.43 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.69 2qqf s ILE 131 Cb 0.21 -2.73 0.11 0.00 0.01 0.00 0.00 42.46 40.05 2qqf s ILE 131 CO 0.34 0.56 0.12 -0.63 0.00 0.00 0.00 174.94 175.33 2qqf s ILE 132 N -0.90 0.90 -1.18 2.92 -1.09 -0.92 -4.97 121.20 115.95 2qqf s ILE 132 Ca 0.14 -1.53 -0.14 0.00 -2.23 0.00 0.00 60.65 56.89 2qqf s ILE 132 Cb -0.11 -1.68 0.18 0.00 -1.58 0.00 0.00 42.46 39.27 2qqf s ILE 132 CO 0.03 -0.71 1.39 -1.61 -1.23 0.00 0.00 174.94 172.81 2qqf s GLU 133 N 1.46 4.06 0.60 2.79 2.02 -1.26 -1.41 118.70 126.97 2qqf s GLU 133 Ca 0.11 -2.57 0.29 0.00 0.02 0.00 0.00 54.97 52.82 2qqf s GLU 133 Cb -0.18 -5.02 1.55 0.00 0.10 0.00 0.00 34.13 30.58 2qqf s GLU 133 CO -0.22 -1.73 1.97 0.00 0.02 0.00 0.00 175.26 175.30 2qqf h ALA 134 N 7.24 1.97 -0.33 5.21 0.00 -1.80 -1.09 119.26 130.46 2qqf h ALA 134 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qqf h ALA 134 Cb 0.88 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2qqf h ALA 134 CO 1.22 -0.54 0.00 0.72 0.00 0.00 0.00 179.25 180.65 2qqf n HIS 135 N -3.66 1.08 -4.24 0.00 8.25 -1.26 -4.48 115.22 110.92 2qqf n HIS 135 Ca 0.05 -0.82 0.00 0.00 -0.26 0.00 0.00 57.72 56.69 2qqf n HIS 135 Cb 0.53 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2qqf n HIS 135 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qqf n GLY 136 N -0.21 -1.54 1.04 -1.41 0.00 -0.42 -0.05 105.19 102.61 2qqf n GLY 136 Ca 0.22 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 2qqf n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qqf n SER 137 N -0.19 -0.61 -0.42 1.61 3.41 -0.72 -4.67 113.62 112.03 2qqf n SER 137 Ca 0.00 -1.46 0.12 0.00 -0.26 0.00 0.00 58.87 57.27 2qqf n SER 137 Cb 0.00 1.03 0.16 0.00 -0.26 0.00 0.00 64.21 65.14 2qqf n SER 137 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qqf n PHE 138 N -0.15 0.00 0.33 7.33 3.01 -1.26 -2.30 117.46 124.42 2qqf n PHE 138 Ca -0.02 0.00 0.22 0.00 1.01 0.00 0.00 57.45 58.66 2qqf n PHE 138 Cb 0.17 -0.05 1.18 0.00 -0.01 0.00 0.00 39.48 40.77 2qqf n PHE 138 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qqf h ALA 139 N 3.87 1.03 -2.32 4.37 0.00 -1.95 -3.43 119.26 120.82 2qqf h ALA 139 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2qqf h ALA 139 Cb 0.66 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.30 2qqf h ALA 139 CO 0.00 0.00 -0.71 -1.01 0.00 0.00 0.00 179.25 177.53 2qqf s HIS 140 N -4.14 1.06 -0.01 0.00 3.76 -1.26 -4.51 115.29 110.18 2qqf s HIS 140 Ca -0.05 -0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 54.01 2qqf s HIS 140 Cb 0.13 -0.57 -0.00 0.00 1.11 0.00 0.00 32.58 33.25 2qqf s HIS 140 CO 0.43 -0.04 0.09 0.00 -0.85 0.00 0.00 174.74 174.37 2qqf s HIS 142 N -0.98 -0.08 0.13 0.00 -3.43 -0.55 -1.49 115.29 108.90 2qqf s HIS 142 Ca -0.11 -0.27 -0.30 0.00 -0.80 0.00 0.00 55.06 53.59 2qqf s HIS 142 Cb -0.06 0.17 -0.06 0.00 -1.43 0.00 0.00 32.58 31.20 2qqf s HIS 142 CO 0.01 -0.68 1.06 0.00 -2.00 0.00 0.00 174.74 173.13 2qqf n ILE 144 N 2.78 0.16 -0.08 0.00 -5.35 -0.70 -2.15 119.36 114.02 2qqf n ILE 144 Ca 0.03 0.04 -0.14 0.00 -0.27 0.00 0.00 62.75 62.42 2qqf n ILE 144 Cb 0.47 -0.63 -0.05 0.00 -1.74 0.00 0.00 39.64 37.70 2qqf n ILE 144 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qqf n GLY 145 N 0.83 -0.38 0.00 3.28 0.00 -1.26 -4.82 105.19 102.83 2qqf n GLY 145 Ca 0.13 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2qqf n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqf n GLY 147 N 1.45 0.87 3.53 0.00 0.00 -0.92 -4.99 105.19 105.15 2qqf n GLY 147 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2qqf n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qqf n LYS 148 N -2.00 0.81 -3.30 1.61 4.81 -1.26 -4.43 118.16 114.40 2qqf n LYS 148 Ca 0.00 0.30 -0.37 0.00 -0.87 0.00 0.00 58.31 57.37 2qqf n LYS 148 Cb 0.00 -1.86 -0.06 0.00 0.02 0.00 0.00 35.03 33.13 2qqf n LYS 148 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2qqf s VAL 149 N -1.53 4.78 -0.00 3.15 1.01 -1.26 -1.73 120.40 124.82 2qqf s VAL 149 Ca 0.68 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.74 2qqf s VAL 149 Cb -0.49 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2qqf s VAL 149 CO 0.54 0.39 -0.11 -0.31 0.00 0.00 0.00 175.10 175.61 2qqf s TYR 150 N -1.30 0.94 0.32 5.22 1.51 -0.55 -4.97 117.35 118.51 2qqf s TYR 150 Ca 0.34 -0.20 -0.29 0.00 -1.01 0.00 0.00 57.07 55.91 2qqf s TYR 150 Cb -0.17 -0.60 -0.11 0.00 -0.11 0.00 0.00 41.96 40.97 2qqf s TYR 150 CO 0.19 -0.01 1.48 -2.14 -1.11 0.00 0.00 175.55 173.95 2qqf s PRO 151 N -0.34 4.19 0.62 -1.71 0.02 -1.26 -3.42 135.00 133.09 2qqf s PRO 151 Ca 0.03 2.46 0.30 0.00 0.02 0.00 0.00 61.00 63.81 2qqf s PRO 151 Cb -0.04 -3.03 1.64 0.00 0.02 0.00 0.00 34.50 33.08 2qqf s PRO 151 CO -0.00 -0.48 2.00 -1.00 -0.33 0.00 0.00 177.00 177.18 2qqf h PRO 152 N 4.03 0.00 -0.64 5.54 0.13 -1.86 -2.43 132.00 136.76 2qqf h PRO 152 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2qqf h PRO 152 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2qqf h PRO 152 CO 0.72 0.00 0.11 1.96 -0.23 0.00 0.00 178.00 180.55 2qqf h GLN 153 N 0.00 1.06 -0.87 0.86 7.50 -1.92 -2.73 115.11 119.01 2qqf h GLN 153 Ca 0.10 -0.28 0.11 0.00 0.50 0.00 0.00 58.65 59.07 2qqf h GLN 153 Cb 0.73 -0.12 -0.08 0.00 0.05 0.00 0.00 27.48 28.06 2qqf h GLN 153 CO -0.00 0.98 0.50 -0.24 -1.50 0.00 0.00 178.83 178.57 2qqf h VAL 154 N 0.98 0.87 -0.27 -0.54 3.04 -1.81 0.14 116.25 118.67 2qqf h VAL 154 Ca 0.20 -0.28 -0.09 0.00 -1.01 0.00 0.00 66.70 65.52 2qqf h VAL 154 Cb 0.43 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 2qqf h VAL 154 CO 0.01 0.15 -0.20 0.15 -1.01 0.00 0.00 177.57 176.67 2qqf h PHE 155 N 0.81 0.71 -0.43 3.17 3.57 -1.70 -3.24 116.94 119.82 2qqf h PHE 155 Ca 0.44 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2qqf h PHE 155 Cb 0.45 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2qqf h PHE 155 CO -0.05 0.89 0.12 -0.22 -2.23 0.00 0.00 178.31 176.82 2qqf h LYS 156 N 0.33 0.63 0.00 1.11 3.64 -0.98 -2.44 116.57 118.86 2qqf h LYS 156 Ca 0.05 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2qqf h LYS 156 Cb 0.74 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2qqf h LYS 156 CO 0.05 0.57 -0.15 0.66 -2.27 0.00 0.00 179.45 178.31 2qqf h SER 157 N 0.62 0.00 0.92 4.20 4.64 -1.04 -1.84 113.55 121.06 2qqf h SER 157 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2qqf h SER 157 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2qqf h SER 157 CO -0.01 0.15 0.00 1.17 -0.87 0.00 0.00 176.83 177.27 2qqf n LYS 158 N -3.59 0.01 0.18 4.77 4.81 -0.92 -3.63 118.16 119.79 2qqf n LYS 158 Ca -0.01 0.05 0.12 0.00 -0.87 0.00 0.00 58.31 57.60 2qqf n LYS 158 Cb 0.28 -1.51 0.22 0.00 0.02 0.00 0.00 35.03 34.05 2qqf n LYS 158 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2qqf h LEU 159 N 0.00 0.00 -0.20 3.14 3.38 -1.39 -3.31 115.31 116.94 2qqf h LEU 159 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qqf h LEU 159 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2qqf h LEU 159 CO 0.00 0.00 -0.45 0.00 0.09 0.00 0.00 178.44 178.08 2qqf n ALA 160 N -2.01 3.47 -1.91 1.53 0.00 -1.24 -4.92 120.51 115.43 2qqf n ALA 160 Ca 0.04 -0.39 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 2qqf n ALA 160 Cb 0.50 -1.09 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 2qqf n ALA 160 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qqf s GLU 161 N -2.81 4.55 -0.30 0.00 2.02 -1.25 -5.02 118.70 115.89 2qqf s GLU 161 Ca 0.16 1.86 -0.02 0.00 0.02 0.00 0.00 54.97 56.98 2qqf s GLU 161 Cb 0.18 -3.21 0.05 0.00 0.10 0.00 0.00 34.13 31.25 2qqf s GLU 161 CO 0.65 0.04 0.01 -1.01 0.02 0.00 0.00 175.26 174.97 2qqf s HIS 162 N -0.60 3.26 0.86 1.61 3.76 -1.26 -2.24 115.29 120.68 2qqf s HIS 162 Ca 0.49 -1.83 -0.08 0.00 -0.15 0.00 0.00 55.06 53.49 2qqf s HIS 162 Cb -0.33 -2.12 0.18 0.00 1.11 0.00 0.00 32.58 31.43 2qqf s HIS 162 CO 0.39 -0.80 1.17 -1.25 -0.85 0.00 0.00 174.74 173.41 2qqf s PRO 163 N 1.27 1.02 -0.18 8.40 0.04 -1.26 -5.08 135.00 139.21 2qqf s PRO 163 Ca -0.05 -0.90 -0.26 0.00 0.04 0.00 0.00 61.00 59.83 2qqf s PRO 163 Cb -0.20 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2qqf s PRO 163 CO -0.01 -2.01 0.86 0.42 0.04 0.00 0.00 177.00 176.31 2qqf s ILE 164 N -3.53 4.85 0.14 0.56 1.01 -0.95 -5.01 121.20 118.27 2qqf s ILE 164 Ca 0.72 1.69 -0.24 0.00 0.00 0.00 0.00 60.65 62.82 2qqf s ILE 164 Cb -0.03 -4.16 0.07 0.00 0.01 0.00 0.00 42.46 38.35 2qqf s ILE 164 CO 0.49 -0.01 0.63 -1.59 0.00 0.00 0.00 174.94 174.47 2qqf s LYS 165 N 2.32 1.22 -0.24 2.79 -2.85 -1.26 -5.04 119.74 116.68 2qqf s LYS 165 Ca 0.39 -0.43 -0.04 0.00 -1.00 0.00 0.00 55.97 54.90 2qqf s LYS 165 Cb -0.16 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 2qqf s LYS 165 CO 0.12 -0.53 0.07 -0.25 0.10 0.00 0.00 175.35 174.86 2qqf n ASP 166 N -0.32 -5.12 -4.96 0.03 10.43 -1.26 -5.01 116.55 110.35 2qqf n ASP 166 Ca -0.16 1.24 -0.23 0.00 2.57 0.00 0.00 54.79 58.21 2qqf n ASP 166 Cb 0.64 -4.79 0.04 0.00 1.84 0.00 0.00 41.12 38.86 2qqf n ASP 166 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2qqf s PHE 167 N -1.16 2.91 -0.44 1.24 0.40 -1.26 -5.02 117.98 114.66 2qqf s PHE 167 Ca -0.08 0.16 -0.28 0.00 -0.60 0.00 0.00 56.93 56.13 2qqf s PHE 167 Cb 0.01 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.67 2qqf s PHE 167 CO 0.69 -1.00 1.67 0.08 0.70 0.00 0.00 175.22 177.36 2qqf s VAL 168 N -2.90 3.59 -0.05 -0.44 1.01 -1.26 -4.99 120.40 115.35 2qqf s VAL 168 Ca 0.57 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 2qqf s VAL 168 Cb -0.10 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2qqf s VAL 168 CO 0.40 -0.69 0.12 -0.54 0.00 0.00 0.00 175.10 174.39 2qqf s LYS 169 N 5.75 3.27 0.25 2.72 -0.14 -1.26 -0.62 119.74 129.72 2qqf s LYS 169 Ca 0.69 -0.32 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 2qqf s LYS 169 Cb -0.17 -3.02 -0.11 0.00 -1.68 0.00 0.00 37.83 32.86 2qqf s LYS 169 CO 0.30 0.70 1.52 0.00 -0.76 0.00 0.00 175.35 177.11 2qqf n ASP 171 N 2.56 3.42 0.01 0.00 3.85 -1.26 -1.54 116.55 123.60 2qqf n ASP 171 Ca 0.09 -2.56 0.00 0.00 -0.71 0.00 0.00 54.79 51.60 2qqf n ASP 171 Cb 0.39 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 2qqf n ASP 171 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2qqf n VAL 172 N 0.15 0.27 0.14 2.12 0.31 -1.26 -4.88 118.33 115.18 2qqf n VAL 172 Ca 0.18 0.09 0.03 0.00 -0.01 0.00 0.00 64.34 64.63 2qqf n VAL 172 Cb 0.83 -1.49 -0.04 0.00 -0.91 0.00 0.00 33.84 32.23 2qqf n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qqf n GLY 174 N 1.63 0.94 3.88 0.00 0.00 -0.59 -5.00 105.19 106.06 2qqf n GLY 174 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2qqf n GLY 174 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqf s GLU 175 N -0.53 2.57 0.34 1.61 0.41 -1.26 -4.32 118.70 117.52 2qqf s GLU 175 Ca 0.00 0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.66 2qqf s GLU 175 Cb 0.00 -2.00 -0.10 0.00 -1.78 0.00 0.00 34.13 30.25 2qqf s GLU 175 CO 0.00 -1.22 1.37 -0.51 -0.49 0.00 0.00 175.26 174.41 2qqf s LEU 176 N -5.45 4.39 -0.16 1.80 1.43 -1.26 0.49 118.68 119.92 2qqf s LEU 176 Ca 0.59 2.80 -0.09 0.00 -1.03 0.00 0.00 54.13 56.41 2qqf s LEU 176 Cb -0.11 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.41 2qqf s LEU 176 CO 0.51 -0.65 0.13 -0.69 0.23 0.00 0.00 176.35 175.88 2qqf s VAL 177 N -1.04 5.44 0.09 -1.59 1.01 0.21 -1.72 120.40 122.80 2qqf s VAL 177 Ca 0.51 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2qqf s VAL 177 Cb -0.42 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2qqf s VAL 177 CO 0.55 0.52 -0.06 -1.59 0.00 0.00 0.00 175.10 174.52 2qqf s LYS 178 N -0.24 0.82 0.65 2.72 -2.85 -0.49 -4.77 119.74 115.58 2qqf s LYS 178 Ca 0.11 -1.33 -0.18 0.00 -1.00 0.00 0.00 55.97 53.57 2qqf s LYS 178 Cb -0.11 -0.15 -0.01 0.00 -2.06 0.00 0.00 37.83 35.49 2qqf s LYS 178 CO 0.01 -0.03 1.25 -2.14 0.10 0.00 0.00 175.35 174.53 2qqf s PRO 179 N -3.85 2.60 0.00 1.78 0.02 -1.26 -1.48 135.00 132.81 2qqf s PRO 179 Ca 0.12 1.93 -0.00 0.00 0.02 0.00 0.00 61.00 63.07 2qqf s PRO 179 Cb 0.06 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.71 2qqf s PRO 179 CO -0.05 -1.52 0.75 0.00 -0.33 0.00 0.00 177.00 175.85 2qqf n ALA 180 N -1.96 2.44 -2.67 -1.55 0.00 0.21 -4.78 120.51 112.19 2qqf n ALA 180 Ca 0.15 -0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 2qqf n ALA 180 Cb 0.49 -1.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 2qqf n ALA 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qqf s ILE 181 N 1.26 5.09 -0.07 0.00 -1.09 -1.15 -1.75 121.20 123.48 2qqf s ILE 181 Ca 0.00 1.17 -0.30 0.00 -2.23 0.00 0.00 60.65 59.29 2qqf s ILE 181 Cb 0.00 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 2qqf s ILE 181 CO 0.00 0.32 1.07 -0.69 -1.23 0.00 0.00 174.94 174.42 2qqf s VAL 182 N 0.50 4.59 0.20 2.92 1.01 0.92 -4.94 120.40 125.60 2qqf s VAL 182 Ca 0.31 1.87 0.04 0.00 0.00 0.00 0.00 61.98 64.20 2qqf s VAL 182 Cb -0.17 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 2qqf s VAL 182 CO 0.14 0.03 0.33 -0.36 0.00 0.00 0.00 175.10 175.23 2qqf s PHE 183 N 1.90 3.47 0.24 5.22 0.40 -1.26 -4.93 117.98 123.02 2qqf s PHE 183 Ca 0.52 0.05 -0.31 0.00 -0.60 0.00 0.00 56.93 56.58 2qqf s PHE 183 Cb -0.21 -1.62 -0.12 0.00 0.51 0.00 0.00 43.02 41.58 2qqf s PHE 183 CO 0.21 0.47 1.61 1.19 0.70 0.00 0.00 175.22 179.41 2qqf n PHE 184 N -1.01 2.65 0.00 0.36 3.72 -0.51 -0.44 117.46 122.24 2qqf n PHE 184 Ca -0.08 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2qqf n PHE 184 Cb 0.56 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 36.50 2qqf n PHE 184 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qqf n GLY 185 N 2.95 1.65 3.97 1.37 0.00 -1.26 -4.33 105.19 109.55 2qqf n GLY 185 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2qqf n GLY 185 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqf s GLU 186 N -0.92 3.28 0.43 1.61 2.02 0.42 -5.11 118.70 120.43 2qqf s GLU 186 Ca 0.00 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.20 2qqf s GLU 186 Cb 0.00 -2.81 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2qqf s GLU 186 CO 0.00 0.18 0.64 -0.51 0.02 0.00 0.00 175.26 175.60 2qqf s ASP 187 N -4.09 5.90 0.53 -0.19 -0.00 -1.26 -4.83 116.67 112.73 2qqf s ASP 187 Ca 0.40 0.28 -0.05 0.00 -0.00 0.00 0.00 52.55 53.18 2qqf s ASP 187 Cb -0.09 -1.57 -0.01 0.00 -0.00 0.00 0.00 42.92 41.25 2qqf s ASP 187 CO 0.31 -0.64 0.82 -0.76 -0.00 0.00 0.00 175.17 174.91 2qqf s LEU 188 N -4.50 3.43 0.58 1.23 1.02 -1.26 -4.88 118.68 114.30 2qqf s LEU 188 Ca 0.47 0.70 -0.19 0.00 0.02 0.00 0.00 54.13 55.13 2qqf s LEU 188 Cb -0.10 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.49 2qqf s LEU 188 CO 0.37 -0.85 1.21 -2.16 0.02 0.00 0.00 176.35 174.95 2qqf s PRO 189 N -4.83 3.02 0.41 1.29 0.04 -1.26 -4.90 135.00 128.76 2qqf s PRO 189 Ca 0.51 1.85 0.19 0.00 0.04 0.00 0.00 61.00 63.59 2qqf s PRO 189 Cb -0.10 -1.97 1.12 0.00 0.04 0.00 0.00 34.50 33.59 2qqf s PRO 189 CO 0.44 -1.17 1.78 -0.44 0.04 0.00 0.00 177.00 177.65 2qqf h ASP 190 N 0.97 0.42 0.23 6.66 3.45 -2.00 -1.09 116.42 125.06 2qqf h ASP 190 Ca -0.50 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.03 2qqf h ASP 190 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 2qqf h ASP 190 CO 0.55 0.09 0.00 0.77 -1.57 0.00 0.00 179.24 179.09 2qqf h SER 191 N 0.38 0.00 0.13 6.45 4.64 -1.97 -1.22 113.55 121.96 2qqf h SER 191 Ca 0.58 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.89 2qqf h SER 191 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2qqf h SER 191 CO -0.27 0.00 -0.06 0.15 -0.87 0.00 0.00 176.83 175.78 2qqf h PHE 192 N 0.00 -0.16 0.01 4.77 3.57 -1.55 -0.77 116.94 122.81 2qqf h PHE 192 Ca 0.00 -0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 2qqf h PHE 192 Cb 0.11 0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.92 2qqf h PHE 192 CO 0.00 0.20 -0.98 0.77 -2.23 0.00 0.00 178.31 176.07 2qqf h SER 193 N -0.56 0.63 -0.81 0.41 0.02 -1.67 -1.99 113.55 109.58 2qqf h SER 193 Ca -0.02 -0.51 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 2qqf h SER 193 Cb 0.44 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2qqf h SER 193 CO 0.03 1.32 0.34 -0.33 -1.14 0.00 0.00 176.83 177.04 2qqf h GLU 194 N 0.27 1.20 0.03 3.45 5.08 -1.28 0.27 114.58 123.59 2qqf h GLU 194 Ca -0.10 -0.21 -0.23 0.00 -1.00 0.00 0.00 59.36 57.83 2qqf h GLU 194 Cb 1.63 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 2qqf h GLU 194 CO 0.18 0.96 -0.99 1.15 -1.00 0.00 0.00 179.01 179.30 2qqf h THR 195 N 1.17 1.46 -0.28 1.13 2.02 -1.18 -2.80 112.91 114.42 2qqf h THR 195 Ca 0.27 -2.65 -0.12 0.00 0.77 0.00 0.00 66.41 64.68 2qqf h THR 195 Cb 0.20 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2qqf h THR 195 CO -0.02 0.78 -0.33 -0.25 0.37 0.00 0.00 175.52 176.06 2qqf h TRP 196 N 0.16 0.69 0.26 3.16 -0.00 -1.09 -0.73 115.95 118.40 2qqf h TRP 196 Ca -0.08 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.89 58.62 2qqf h TRP 196 Cb 1.65 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 30.64 2qqf h TRP 196 CO 0.05 0.86 -0.18 1.25 -0.00 0.00 0.00 178.44 180.41 2qqf h LEU 197 N 0.51 -0.46 -1.32 0.65 5.85 -0.41 0.50 115.31 120.62 2qqf h LEU 197 Ca 0.06 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2qqf h LEU 197 Cb 0.82 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2qqf h LEU 197 CO 0.07 -0.29 -0.27 0.78 -0.34 0.00 0.00 178.44 178.39 2qqf h ASN 198 N -0.44 0.00 1.27 1.25 2.35 -1.43 -2.56 115.58 116.02 2qqf h ASN 198 Ca -0.02 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2qqf h ASN 198 Cb 0.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 2qqf h ASN 198 CO 0.01 0.27 -0.75 0.44 -1.65 0.00 0.00 177.43 175.75 2qqf h ASP 199 N 0.00 0.00 0.24 5.81 5.19 -0.76 -1.98 116.42 124.92 2qqf h ASP 199 Ca -0.00 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.22 2qqf h ASP 199 Cb 0.66 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.16 2qqf h ASP 199 CO 0.03 0.56 -0.74 0.28 -3.12 0.00 0.00 179.24 176.25 2qqf h SER 200 N 0.00 0.51 0.36 6.45 0.02 0.37 -2.49 113.55 118.77 2qqf h SER 200 Ca -0.04 -0.33 -0.24 0.00 -0.84 0.00 0.00 61.79 60.33 2qqf h SER 200 Cb 1.46 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.86 2qqf h SER 200 CO 0.07 1.08 -1.02 -0.08 -1.14 0.00 0.00 176.83 175.73 2qqf h GLU 201 N 0.29 0.41 -0.94 3.45 4.81 -1.51 -2.72 114.58 118.38 2qqf h GLU 201 Ca -0.03 -0.49 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2qqf h GLU 201 Cb 1.32 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 2qqf h GLU 201 CO 0.13 1.15 0.61 2.35 -0.73 0.00 0.00 179.01 182.52 2qqf h TRP 202 N 0.21 1.14 0.18 0.92 7.01 -1.29 -1.43 115.95 122.69 2qqf h TRP 202 Ca -0.10 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2qqf h TRP 202 Cb 1.67 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 28.36 2qqf h TRP 202 CO 0.07 0.64 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.20 2qqf h LEU 203 N 1.16 -0.21 -2.07 0.65 3.38 -1.45 -2.95 115.31 113.82 2qqf h LEU 203 Ca 0.38 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2qqf h LEU 203 Cb 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2qqf h LEU 203 CO -0.13 0.26 0.26 0.03 0.09 0.00 0.00 178.44 178.94 2qqf h ARG 204 N -0.75 0.00 -0.00 1.13 3.08 -1.33 -1.04 114.38 115.46 2qqf h ARG 204 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qqf h ARG 204 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2qqf h ARG 204 CO 0.04 0.00 -0.25 0.39 -1.07 0.00 0.00 179.97 179.09 2qqf n GLU 205 N -4.20 0.62 0.04 0.04 -0.58 -0.55 -3.68 120.64 112.32 2qqf n GLU 205 Ca 0.05 -0.32 0.07 0.00 -0.42 0.00 0.00 57.16 56.53 2qqf n GLU 205 Cb 0.42 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.72 2qqf n GLU 205 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qqf n LYS 206 N -0.91 0.63 -2.03 3.49 4.76 -0.40 -5.08 118.16 118.62 2qqf n LYS 206 Ca 0.11 0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 55.32 2qqf n LYS 206 Cb 0.33 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 31.74 2qqf n LYS 206 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2qqf n ILE 207 N -2.62 1.87 -3.67 -0.18 5.41 -1.17 -4.74 119.36 114.25 2qqf n ILE 207 Ca -0.06 -1.94 -0.18 0.00 1.00 0.00 0.00 62.75 61.57 2qqf n ILE 207 Cb 0.68 -2.17 -0.01 0.00 -0.71 0.00 0.00 39.64 37.43 2qqf n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qqf n GLN 215 N 8.23 -0.79 -2.18 0.38 -0.00 -1.26 -5.15 117.38 116.60 2qqf n GLN 215 Ca 0.45 -0.17 -0.41 0.00 -0.00 0.00 0.00 57.00 56.88 2qqf n GLN 215 Cb 0.46 -0.88 -0.03 0.00 -0.00 0.00 0.00 30.24 29.80 2qqf n GLN 215 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2qqf s GLN 216 N -5.66 4.40 0.85 2.61 -1.52 -1.26 -4.53 119.66 114.54 2qqf s GLN 216 Ca 0.14 2.13 -0.11 0.00 -1.95 0.00 0.00 55.36 55.56 2qqf s GLN 216 Cb -0.08 -3.11 0.10 0.00 -0.22 0.00 0.00 33.01 29.70 2qqf s GLN 216 CO 0.43 -0.15 1.09 -2.14 -0.25 0.00 0.00 175.29 174.27 2qqf s PRO 217 N -1.34 1.64 -0.22 2.91 0.02 -1.26 -4.65 135.00 132.10 2qqf s PRO 217 Ca 0.50 0.98 -0.03 0.00 0.02 0.00 0.00 61.00 62.47 2qqf s PRO 217 Cb -0.38 -1.84 0.12 0.00 0.02 0.00 0.00 34.50 32.42 2qqf s PRO 217 CO 0.48 -2.02 0.34 -1.17 -0.33 0.00 0.00 177.00 174.30 2qqf s LEU 218 N -6.12 -0.50 -0.33 -5.54 2.96 -1.20 -4.41 118.68 103.53 2qqf s LEU 218 Ca 0.63 0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 54.66 2qqf s LEU 218 Cb -0.18 0.96 -0.00 0.00 0.50 0.00 0.00 46.19 47.47 2qqf s LEU 218 CO 0.57 -0.29 0.18 -0.69 -1.32 0.00 0.00 176.35 174.80 2qqf s VAL 219 N 2.50 4.78 -0.34 1.68 1.01 -1.18 -1.69 120.40 127.16 2qqf s VAL 219 Ca 0.09 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 2qqf s VAL 219 Cb -0.15 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2qqf s VAL 219 CO -0.14 -0.00 0.18 -0.63 0.00 0.00 0.00 175.10 174.51 2qqf s ILE 220 N 1.63 4.64 -0.30 2.22 1.01 -0.23 -2.26 121.20 127.91 2qqf s ILE 220 Ca 0.05 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 2qqf s ILE 220 Cb -0.17 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2qqf s ILE 220 CO 0.07 -0.06 0.43 -0.69 0.00 0.00 0.00 174.94 174.69 2qqf s VAL 221 N 1.60 5.12 -0.02 2.92 1.01 -0.41 -2.22 120.40 128.40 2qqf s VAL 221 Ca 0.04 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.52 2qqf s VAL 221 Cb -0.18 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2qqf s VAL 221 CO 0.07 0.00 -0.14 -0.69 0.00 0.00 0.00 175.10 174.34 2qqf s VAL 222 N 2.18 1.12 -1.46 2.92 1.01 0.44 -0.84 120.40 125.78 2qqf s VAL 222 Ca 0.16 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2qqf s VAL 222 Cb -0.16 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.32 2qqf s VAL 222 CO 0.11 0.32 0.91 0.61 0.00 0.00 0.00 175.10 177.05 2qqf n GLY 223 N 2.86 -0.52 3.03 4.51 0.00 -0.87 -1.62 105.19 112.58 2qqf n GLY 223 Ca -0.15 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2qqf n GLY 223 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qqf s THR 224 N -3.24 0.65 -2.36 2.61 -1.32 -1.26 -0.49 115.64 110.23 2qqf s THR 224 Ca 0.52 -0.57 0.24 0.00 -1.21 0.00 0.00 61.69 60.67 2qqf s THR 224 Cb -0.24 -0.59 0.50 0.00 -1.51 0.00 0.00 72.50 70.65 2qqf s THR 224 CO 0.64 0.03 1.63 -1.54 -2.21 0.00 0.00 174.62 173.17 2qqf n SER 225 N 2.45 1.59 -3.89 8.08 3.41 -1.26 -4.91 113.62 119.09 2qqf n SER 225 Ca -0.16 -1.62 -0.37 0.00 -0.26 0.00 0.00 58.87 56.46 2qqf n SER 225 Cb 0.56 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.47 2qqf n SER 225 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qqf n LEU 226 N 0.26 -1.39 0.00 1.04 4.77 -1.26 -4.28 117.00 116.14 2qqf n LEU 226 Ca 0.17 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2qqf n LEU 226 Cb 0.34 -1.83 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 2qqf n LEU 226 CO 0.14 0.57 0.20 0.00 -1.33 0.00 0.00 177.39 176.97 2qqf n ALA 227 N -4.17 1.89 -3.43 -1.18 0.00 -1.26 -4.56 120.51 107.80 2qqf n ALA 227 Ca -0.16 -0.39 -0.33 0.00 0.00 0.00 0.00 53.44 52.57 2qqf n ALA 227 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 2qqf n ALA 227 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qqf s VAL 228 N -0.02 2.43 0.21 0.00 1.01 -1.26 -5.05 120.40 117.72 2qqf s VAL 228 Ca 0.00 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.17 2qqf s VAL 228 Cb 0.00 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2qqf s VAL 228 CO 0.00 0.53 0.19 -0.31 0.00 0.00 0.00 175.10 175.52 2qqf s TYR 229 N 0.68 3.19 -1.80 5.22 1.51 -1.26 -1.11 117.35 123.77 2qqf s TYR 229 Ca -0.09 -0.05 0.29 0.00 -1.01 0.00 0.00 57.07 56.22 2qqf s TYR 229 Cb -0.16 -1.48 1.65 0.00 -0.11 0.00 0.00 41.96 41.86 2qqf s TYR 229 CO 0.02 0.51 2.06 -0.35 -1.11 0.00 0.00 175.55 176.68 2qqf n PRO 230 N -0.81 0.75 -0.24 -1.71 -0.04 -1.26 -4.89 135.00 126.79 2qqf n PRO 230 Ca -0.08 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.43 2qqf n PRO 230 Cb 0.56 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 2qqf n PRO 230 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2qqf h PHE 231 N 0.00 0.13 0.00 0.54 3.57 -1.98 -0.81 116.94 118.39 2qqf h PHE 231 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2qqf h PHE 231 Cb 0.09 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2qqf h PHE 231 CO 0.00 -0.13 0.00 0.00 -2.23 0.00 0.00 178.31 175.95 2qqf n ALA 232 N -2.74 1.87 -0.01 2.41 0.00 -0.27 -2.65 120.51 119.11 2qqf n ALA 232 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.59 2qqf n ALA 232 Cb 0.43 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 2qqf n ALA 232 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qqf n SER 233 N -0.49 0.27 -0.35 0.00 7.64 -0.31 -4.45 113.62 115.93 2qqf n SER 233 Ca 0.00 0.11 0.13 0.00 1.01 0.00 0.00 58.87 60.12 2qqf n SER 233 Cb 0.00 1.18 0.32 0.00 -1.01 0.00 0.00 64.21 64.70 2qqf n SER 233 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2qqf h LEU 234 N 0.00 0.79 -0.33 -3.43 3.38 -1.68 -2.48 115.31 111.56 2qqf h LEU 234 Ca -0.19 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2qqf h LEU 234 Cb 1.47 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2qqf h LEU 234 CO 0.02 0.30 0.14 -0.65 0.09 0.00 0.00 178.44 178.33 2qqf h PRO 235 N 0.78 0.49 0.00 1.13 0.11 -1.83 -2.55 132.00 130.14 2qqf h PRO 235 Ca 0.57 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2qqf h PRO 235 Cb 0.87 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2qqf h PRO 235 CO -0.36 0.48 0.00 1.05 -0.21 0.00 0.00 178.00 178.96 2qqf h GLU 236 N 0.39 0.00 -0.49 1.05 4.11 -1.77 -2.45 114.58 115.41 2qqf h GLU 236 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2qqf h GLU 236 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2qqf h GLU 236 CO -0.01 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.46 2qqf n GLU 237 N -2.91 2.19 -3.02 1.06 1.02 -0.96 -4.88 120.64 113.13 2qqf n GLU 237 Ca 0.02 -1.43 -0.39 0.00 -0.02 0.00 0.00 57.16 55.33 2qqf n GLU 237 Cb 0.34 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 2qqf n GLU 237 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2qqf s ILE 238 N -1.61 4.61 -0.27 -3.67 1.01 -0.92 -4.96 121.20 115.38 2qqf s ILE 238 Ca 0.26 1.59 -0.39 0.00 0.00 0.00 0.00 60.65 62.11 2qqf s ILE 238 Cb 0.15 -4.09 -0.15 0.00 0.01 0.00 0.00 42.46 38.38 2qqf s ILE 238 CO 0.15 0.45 1.79 -2.65 0.00 0.00 0.00 174.94 174.67 2qqf n PRO 239 N 2.24 1.26 0.03 2.79 -0.02 -1.26 -4.77 135.00 135.27 2qqf n PRO 239 Ca -0.05 0.46 0.21 0.00 -2.02 0.00 0.00 63.50 62.10 2qqf n PRO 239 Cb 0.50 -2.18 0.60 0.00 -0.02 0.00 0.00 33.50 32.40 2qqf n PRO 239 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qqf h ARG 240 N 7.72 0.00 -0.63 -0.52 2.43 -1.93 0.58 114.38 122.04 2qqf h ARG 240 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2qqf h ARG 240 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2qqf h ARG 240 CO 0.97 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 181.06 2qqf n LYS 241 N -3.37 2.62 -4.06 0.20 5.02 -1.26 -4.85 118.16 112.45 2qqf n LYS 241 Ca 0.11 -2.28 -0.35 0.00 -2.02 0.00 0.00 58.31 53.78 2qqf n LYS 241 Cb 0.93 -1.55 -0.12 0.00 -0.02 0.00 0.00 35.03 34.27 2qqf n LYS 241 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qqf s VAL 242 N -1.30 4.19 0.24 -0.18 1.01 0.20 -5.02 120.40 119.54 2qqf s VAL 242 Ca 0.42 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.86 2qqf s VAL 242 Cb 0.23 -2.89 -0.11 0.00 0.00 0.00 0.00 36.38 33.60 2qqf s VAL 242 CO 0.27 0.43 1.62 -0.75 0.00 0.00 0.00 175.10 176.67 2qqf s LYS 243 N 0.86 4.15 -0.11 2.72 2.20 -1.26 -4.84 119.74 123.46 2qqf s LYS 243 Ca 0.02 2.53 -0.01 0.00 -0.36 0.00 0.00 55.97 58.15 2qqf s LYS 243 Cb -0.14 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 2qqf s LYS 243 CO 0.02 -0.65 -0.09 1.03 -0.36 0.00 0.00 175.35 175.30 2qqf s ARG 244 N 0.38 3.24 0.06 4.03 0.52 -1.26 -3.11 118.95 122.81 2qqf s ARG 244 Ca 0.68 -0.60 0.09 0.00 -0.52 0.00 0.00 55.73 55.38 2qqf s ARG 244 Cb -0.47 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 2qqf s ARG 244 CO 0.39 0.37 -0.24 0.08 0.02 0.00 0.00 175.30 175.92 2qqf s VAL 245 N -0.03 2.35 -0.10 3.52 1.01 -0.96 -1.93 120.40 124.27 2qqf s VAL 245 Ca -0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.54 2qqf s VAL 245 Cb -0.14 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.30 2qqf s VAL 245 CO 0.03 0.29 -0.03 -0.22 0.00 0.00 0.00 175.10 175.17 2qqf s LEU 246 N -1.49 0.94 -0.52 3.92 2.96 -0.44 -1.28 118.68 122.77 2qqf s LEU 246 Ca 0.13 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2qqf s LEU 246 Cb -0.10 -0.66 0.14 0.00 0.50 0.00 0.00 46.19 46.07 2qqf s LEU 246 CO 0.04 -0.16 0.34 0.00 -1.32 0.00 0.00 176.35 175.24 2qqf s ASN 248 N 1.47 0.03 0.15 0.00 2.47 -1.07 -2.05 114.94 115.94 2qqf s ASN 248 Ca 0.12 -1.15 0.12 0.00 0.42 0.00 0.00 52.86 52.38 2qqf s ASN 248 Cb -0.22 0.48 -0.10 0.00 -1.45 0.00 0.00 41.25 39.97 2qqf s ASN 248 CO -0.04 -0.99 1.18 -0.07 -3.72 0.00 0.00 177.10 173.46 2qqf h LEU 249 N 2.44 0.00 -8.56 3.21 3.38 -1.86 -2.97 115.31 110.95 2qqf h LEU 249 Ca -0.31 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.17 2qqf h LEU 249 Cb 1.25 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.78 2qqf h LEU 249 CO 0.44 0.74 -0.80 -1.61 0.09 0.00 0.00 178.44 177.30 2qqf s GLU 250 N -2.83 0.98 -0.22 1.13 2.02 -1.26 -4.88 118.70 113.64 2qqf s GLU 250 Ca 0.01 -1.07 -0.29 0.00 0.02 0.00 0.00 54.97 53.64 2qqf s GLU 250 Cb 0.09 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 33.20 2qqf s GLU 250 CO 0.79 0.26 1.02 0.99 0.02 0.00 0.00 175.26 178.34 2qqf s THR 251 N -1.25 4.70 0.40 3.63 2.01 -1.26 -5.01 115.64 118.87 2qqf s THR 251 Ca 0.03 1.99 0.04 0.00 0.31 0.00 0.00 61.69 64.06 2qqf s THR 251 Cb -0.10 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 2qqf s THR 251 CO 0.03 -0.16 0.12 0.68 -0.69 0.00 0.00 174.62 174.60 2qqf s VAL 252 N 3.07 0.68 0.00 3.82 -7.23 -1.26 -4.72 120.40 114.76 2qqf s VAL 252 Ca 0.44 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2qqf s VAL 252 Cb -0.15 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2qqf s VAL 252 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 2qqf n GLY 253 N -0.88 2.82 0.27 2.32 0.00 -1.26 -2.15 105.19 106.31 2qqf n GLY 253 Ca -0.06 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 45.95 2qqf n GLY 253 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2qqf h ASP 254 N 3.29 0.00 1.32 1.61 3.58 -1.91 -1.33 116.42 122.97 2qqf h ASP 254 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2qqf h ASP 254 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2qqf h ASP 254 CO 0.00 0.00 0.00 -0.26 -2.88 0.00 0.00 179.24 176.10 2qqf h PHE 255 N 0.00 0.00 0.00 0.28 -1.00 -1.75 -1.48 116.94 112.99 2qqf h PHE 255 Ca 0.00 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.43 2qqf h PHE 255 Cb 0.31 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.80 2qqf h PHE 255 CO 0.00 0.00 -2.30 1.17 -1.61 0.00 0.00 178.31 175.57 2qqf n LYS 256 N -3.00 0.90 -0.01 1.51 4.81 -0.70 -4.06 118.16 117.61 2qqf n LYS 256 Ca 0.02 -0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.35 2qqf n LYS 256 Cb 0.37 -1.48 -0.09 0.00 0.02 0.00 0.00 35.03 33.85 2qqf n LYS 256 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qqf h ALA 257 N 0.88 -0.09 -2.04 3.14 0.00 -1.21 -3.42 119.26 116.53 2qqf h ALA 257 Ca -0.51 -0.29 -0.55 0.00 0.00 0.00 0.00 54.91 53.56 2qqf h ALA 257 Cb 2.14 0.03 -0.40 0.00 0.00 0.00 0.00 17.79 19.57 2qqf h ALA 257 CO 0.02 -0.15 -1.04 0.09 0.00 0.00 0.00 179.25 178.17 2qqf n ASN 258 N -4.79 0.94 -4.64 0.00 3.02 -0.56 -5.08 115.26 104.16 2qqf n ASN 258 Ca -0.07 -2.89 -0.44 0.00 -0.03 0.00 0.00 54.58 51.14 2qqf n ASN 258 Cb 0.30 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 2qqf n ASN 258 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2qqf n LYS 259 N 1.04 1.68 -4.15 3.52 4.81 -1.25 -4.83 118.16 118.98 2qqf n LYS 259 Ca 0.23 0.59 -0.36 0.00 -0.87 0.00 0.00 58.31 57.91 2qqf n LYS 259 Cb 0.54 -2.08 -0.08 0.00 0.02 0.00 0.00 35.03 33.43 2qqf n LYS 259 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2qqf s ARG 260 N -1.45 3.27 0.34 1.64 0.52 -1.26 -5.01 118.95 117.00 2qqf s ARG 260 Ca 0.60 -0.30 0.13 0.00 -0.52 0.00 0.00 55.73 55.63 2qqf s ARG 260 Cb -0.66 -2.99 1.09 0.00 0.52 0.00 0.00 34.95 32.91 2qqf s ARG 260 CO 0.59 0.68 1.59 -1.35 0.02 0.00 0.00 175.30 176.83 2qqf h PRO 261 N 5.29 0.06 -0.03 3.54 0.11 -1.97 0.16 132.00 139.16 2qqf h PRO 261 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2qqf h PRO 261 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2qqf h PRO 261 CO 0.58 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 2qqf n THR 262 N -5.29 0.03 -2.02 -1.15 -2.24 -1.26 -4.93 114.28 97.42 2qqf n THR 262 Ca 0.31 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.57 2qqf n THR 262 Cb 1.04 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 2qqf n THR 262 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qqf s ASP 263 N -1.84 6.64 -0.21 3.42 1.01 0.56 -4.50 116.67 121.75 2qqf s ASP 263 Ca 0.39 2.77 0.01 0.00 0.71 0.00 0.00 52.55 56.43 2qqf s ASP 263 Cb 0.19 -2.65 0.03 0.00 1.01 0.00 0.00 42.92 41.50 2qqf s ASP 263 CO 0.31 -0.66 -0.16 -0.22 0.21 0.00 0.00 175.17 174.66 2qqf s LEU 264 N -1.52 2.57 -0.21 1.23 2.96 -0.81 -5.02 118.68 117.88 2qqf s LEU 264 Ca 0.52 -0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 2qqf s LEU 264 Cb -0.42 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2qqf s LEU 264 CO 0.53 -0.06 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.84 2qqf s ILE 265 N 1.26 3.55 -0.32 6.68 1.01 -1.26 -1.33 121.20 130.79 2qqf s ILE 265 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2qqf s ILE 265 Cb -0.15 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.78 2qqf s ILE 265 CO -0.10 0.42 0.03 -0.69 0.00 0.00 0.00 174.94 174.60 2qqf s VAL 266 N 1.35 2.69 -0.93 2.92 1.01 0.48 -4.97 120.40 122.95 2qqf s VAL 266 Ca 0.04 -1.81 -0.24 0.00 0.00 0.00 0.00 61.98 59.98 2qqf s VAL 266 Cb -0.14 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.57 2qqf s VAL 266 CO -0.01 -0.32 1.38 -1.00 0.00 0.00 0.00 175.10 175.14 2qqf s HIS 267 N 1.11 2.49 0.15 5.22 3.76 -1.25 -2.59 115.29 124.19 2qqf s HIS 267 Ca 0.00 -0.65 -0.16 0.00 -0.15 0.00 0.00 55.06 54.10 2qqf s HIS 267 Cb -0.20 -4.65 0.03 0.00 1.11 0.00 0.00 32.58 28.86 2qqf s HIS 267 CO -0.04 -1.95 0.44 -1.14 -0.85 0.00 0.00 174.74 171.20 2qqf s GLN 268 N 5.05 1.19 0.41 1.40 2.00 -1.12 -4.81 119.66 123.78 2qqf s GLN 268 Ca 0.42 -0.80 -0.24 0.00 -2.00 0.00 0.00 55.36 52.75 2qqf s GLN 268 Cb -0.03 0.48 -0.09 0.00 0.80 0.00 0.00 33.01 34.18 2qqf s GLN 268 CO -0.03 -0.48 1.07 0.71 -0.50 0.00 0.00 175.29 176.06 2qqf s TYR 269 N -3.84 3.19 0.46 1.67 1.51 -1.26 -4.23 117.35 114.85 2qqf s TYR 269 Ca 0.06 1.62 0.12 0.00 -1.01 0.00 0.00 57.07 57.86 2qqf s TYR 269 Cb 0.01 -3.17 1.07 0.00 -0.11 0.00 0.00 41.96 39.75 2qqf s TYR 269 CO -0.08 -0.80 2.08 0.66 -1.11 0.00 0.00 175.55 176.31 2qqf h SER 270 N 2.39 0.25 0.70 2.29 4.64 -1.89 0.06 113.55 121.98 2qqf h SER 270 Ca -0.48 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.62 2qqf h SER 270 Cb 1.22 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2qqf h SER 270 CO 0.62 0.18 -0.94 0.44 -0.87 0.00 0.00 176.83 176.25 2qqf h ASP 271 N 0.29 0.20 0.66 4.97 3.32 -1.94 -2.29 116.42 121.64 2qqf h ASP 271 Ca 0.11 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.80 2qqf h ASP 271 Cb 0.08 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2qqf h ASP 271 CO -0.02 1.03 -0.83 -0.08 -1.72 0.00 0.00 179.24 177.61 2qqf h GLU 272 N 0.07 0.12 -0.50 3.56 4.57 -1.75 -2.48 114.58 118.16 2qqf h GLU 272 Ca -0.05 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 57.96 2qqf h GLU 272 Cb 1.61 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.21 2qqf h GLU 272 CO 0.14 0.88 0.13 0.35 -1.18 0.00 0.00 179.01 179.32 2qqf h PHE 273 N 0.07 0.84 -0.54 0.92 3.57 -0.98 -2.34 116.94 118.48 2qqf h PHE 273 Ca -0.03 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 2qqf h PHE 273 Cb 1.45 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2qqf h PHE 273 CO 0.02 0.74 0.07 0.00 -2.23 0.00 0.00 178.31 176.91 2qqf h ALA 274 N 1.00 1.11 -0.67 2.41 0.00 -1.32 -1.30 119.26 120.48 2qqf h ALA 274 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2qqf h ALA 274 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2qqf h ALA 274 CO 0.00 0.58 0.26 1.49 0.00 0.00 0.00 179.25 181.58 2qqf h GLU 275 N 0.82 1.01 -0.12 0.00 4.57 -1.18 -2.42 114.58 117.26 2qqf h GLU 275 Ca 0.17 -0.19 -0.13 0.00 -1.18 0.00 0.00 59.36 58.03 2qqf h GLU 275 Cb 0.39 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2qqf h GLU 275 CO 0.01 0.85 -0.41 1.96 -1.18 0.00 0.00 179.01 180.24 2qqf h GLN 276 N 0.96 0.50 -0.26 1.92 4.20 -1.15 -3.10 115.11 118.18 2qqf h GLN 276 Ca 0.22 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2qqf h GLN 276 Cb 0.23 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2qqf h GLN 276 CO -0.02 0.99 0.16 1.25 -0.67 0.00 0.00 178.83 180.54 2qqf h LEU 277 N 0.10 0.31 -1.05 1.46 5.85 -1.21 -0.05 115.31 120.72 2qqf h LEU 277 Ca -0.02 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2qqf h LEU 277 Cb 1.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2qqf h LEU 277 CO 0.09 0.26 0.00 0.52 -0.34 0.00 0.00 178.44 178.97 2qqf n VAL 278 N -4.88 1.01 -0.10 1.05 0.31 -0.92 -0.59 118.33 114.22 2qqf n VAL 278 Ca -0.02 0.52 -0.18 0.00 -0.01 0.00 0.00 64.34 64.65 2qqf n VAL 278 Cb 0.05 -1.49 -0.10 0.00 -0.91 0.00 0.00 33.84 31.39 2qqf n VAL 278 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qqf h GLU 279 N 0.00 0.00 0.00 5.55 4.57 -1.21 -1.91 114.58 121.58 2qqf h GLU 279 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qqf h GLU 279 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2qqf h GLU 279 CO 0.00 0.86 0.00 0.93 -1.18 0.00 0.00 179.01 179.62 2qqf h GLU 280 N -1.00 0.00 0.00 1.92 4.39 -0.52 -1.80 114.58 117.57 2qqf h GLU 280 Ca -0.26 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.33 2qqf h GLU 280 Cb 1.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2qqf h GLU 280 CO -0.16 0.00 -1.49 1.28 -1.16 0.00 0.00 179.01 177.49 2qqf n LEU 281 N -2.43 0.64 -0.12 1.33 4.77 0.24 -4.87 117.00 116.56 2qqf n LEU 281 Ca 0.01 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 2qqf n LEU 281 Cb 0.17 0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2qqf n LEU 281 CO 0.18 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 176.90 2qqf n GLY 282 N 1.35 0.37 1.54 -0.72 0.00 -0.68 -4.95 105.19 102.09 2qqf n GLY 282 Ca -0.08 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.11 2qqf n GLY 282 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qqf n TRP 283 N -3.68 1.60 -0.25 1.61 8.01 -0.74 -4.57 117.44 119.42 2qqf n TRP 283 Ca -0.01 -0.72 0.23 0.00 -1.31 0.00 0.00 57.50 55.68 2qqf n TRP 283 Cb 0.36 -0.37 0.57 0.00 -2.01 0.00 0.00 31.31 29.86 2qqf n TRP 283 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.69 178.64 2qqf h GLN 284 N 3.47 0.29 0.82 -0.99 7.50 -1.91 -0.95 115.11 123.35 2qqf h GLN 284 Ca 0.00 -0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.09 2qqf h GLN 284 Cb 1.66 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 29.13 2qqf h GLN 284 CO 0.34 0.19 -0.47 1.05 -1.50 0.00 0.00 178.83 178.45 2qqf h GLU 285 N 0.30 -1.15 0.00 1.46 -0.00 -1.92 -0.30 114.58 112.97 2qqf h GLU 285 Ca 0.49 0.08 -0.06 0.00 -0.00 0.00 0.00 59.36 59.86 2qqf h GLU 285 Cb 1.40 0.26 -0.01 0.00 -0.00 0.00 0.00 28.75 30.40 2qqf h GLU 285 CO -0.16 -0.77 -0.31 -0.44 -0.00 0.00 0.00 179.01 177.33 2qqf h ASP 286 N -1.20 0.00 0.78 3.06 3.32 -1.81 -3.06 116.42 117.51 2qqf h ASP 286 Ca -0.11 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 2qqf h ASP 286 Cb 0.94 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.50 2qqf h ASP 286 CO 0.14 0.31 -0.37 0.15 -1.72 0.00 0.00 179.24 177.74 2qqf h PHE 287 N 0.00 -0.97 -0.86 4.55 3.57 -1.03 -2.44 116.94 119.76 2qqf h PHE 287 Ca -0.00 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.70 2qqf h PHE 287 Cb 0.61 0.32 -0.14 0.00 2.79 0.00 0.00 35.95 39.54 2qqf h PHE 287 CO 0.00 -0.60 0.24 1.49 -2.23 0.00 0.00 178.31 177.20 2qqf h GLU 288 N -1.26 0.22 0.38 1.11 4.57 -1.05 -0.03 114.58 118.53 2qqf h GLU 288 Ca -0.11 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2qqf h GLU 288 Cb 0.80 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 2qqf h GLU 288 CO 0.18 0.15 -0.44 0.87 -1.18 0.00 0.00 179.01 178.58 2qqf h LYS 289 N 0.23 -0.82 -0.38 1.92 1.57 -1.46 -0.99 116.57 116.64 2qqf h LYS 289 Ca 0.53 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.44 2qqf h LYS 289 Cb 1.05 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.47 2qqf h LYS 289 CO -0.63 -0.55 -0.09 0.82 -0.57 0.00 0.00 179.45 178.43 2qqf h ILE 290 N -0.86 0.62 0.00 1.86 2.04 -0.68 -1.51 117.51 118.99 2qqf h ILE 290 Ca -0.03 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2qqf h ILE 290 Cb 0.77 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2qqf h ILE 290 CO -0.10 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 177.98 2qqf h LEU 291 N 0.00 0.00 -3.28 1.44 3.38 -0.73 -2.38 115.31 113.75 2qqf h LEU 291 Ca 0.18 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 2qqf h LEU 291 Cb 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2qqf h LEU 291 CO -0.39 0.00 0.20 0.35 0.09 0.00 0.00 178.44 178.69 2qqf n THR 292 N -4.22 2.45 -0.83 0.22 -2.24 -0.40 -5.09 114.28 104.17 2qqf n THR 292 Ca -0.03 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 2qqf n THR 292 Cb 0.09 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2qqf n THR 292 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50