#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8l n SER 2 N 0.00 -7.55 0.07 1.61 2.88 -1.26 -5.05 113.62 104.32 1q8l n SER 2 Ca 0.00 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1q8l n SER 2 Cb 0.00 -4.51 0.00 0.00 -0.75 0.00 0.00 64.21 58.95 1q8l n SER 2 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1q8l n MET 3 N -4.18 0.00 -0.01 -1.46 0.00 -1.26 -4.96 117.12 105.25 1q8l n MET 3 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.63 1q8l n MET 3 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.82 1q8l n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1q8l n ALA 4 N -2.78 2.05 0.45 -5.12 0.00 -1.26 -4.74 120.51 109.11 1q8l n ALA 4 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 1q8l n ALA 4 Cb 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.35 1q8l n ALA 4 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1q8l h GLN 5 N 0.00 -1.12 0.00 0.00 -0.00 -2.01 -3.45 115.11 108.53 1q8l h GLN 5 Ca -0.05 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1q8l h GLN 5 Cb 0.64 0.26 0.00 0.00 0.00 0.00 0.00 27.48 28.38 1q8l h GLN 5 CO 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 178.83 178.08 1q8l n ALA 6 N -2.67 0.00 -0.35 3.38 0.00 -1.26 -4.88 120.51 114.72 1q8l n ALA 6 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1q8l n ALA 6 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1q8l n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q8l n GLY 7 N 0.00 -3.58 3.71 0.00 0.00 -1.26 -4.94 105.19 99.12 1q8l n GLY 7 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1q8l n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q8l s GLU 8 N -3.34 4.38 0.07 1.61 -1.05 -1.26 -4.77 118.70 114.33 1q8l s GLU 8 Ca 0.00 1.90 -0.31 0.00 -0.15 0.00 0.00 54.97 56.42 1q8l s GLU 8 Cb 0.00 -3.32 -0.08 0.00 -0.44 0.00 0.00 34.13 30.29 1q8l s GLU 8 CO 0.00 -0.35 1.66 0.14 0.95 0.00 0.00 175.26 177.66 1q8l s VAL 9 N 1.17 3.00 -1.18 1.83 -7.23 0.10 -4.63 120.40 113.47 1q8l s VAL 9 Ca 0.61 0.47 -0.07 0.00 -1.81 0.00 0.00 61.98 61.18 1q8l s VAL 9 Cb -0.33 -3.30 0.24 0.00 0.56 0.00 0.00 36.38 33.55 1q8l s VAL 9 CO 0.29 -0.00 1.71 1.33 -0.31 0.00 0.00 175.10 178.12 1q8l n VAL 10 N 4.71 4.88 -1.95 1.32 0.24 -1.26 -1.75 118.33 124.51 1q8l n VAL 10 Ca 0.16 -5.16 -0.43 0.00 -2.04 0.00 0.00 64.34 56.88 1q8l n VAL 10 Cb 0.40 -2.20 -0.03 0.00 -1.47 0.00 0.00 33.84 30.55 1q8l n VAL 10 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1q8l s LEU 11 N -1.54 4.09 -0.42 1.34 2.01 -1.10 -4.95 118.68 118.11 1q8l s LEU 11 Ca 0.36 2.04 -0.11 0.00 0.01 0.00 0.00 54.13 56.43 1q8l s LEU 11 Cb 0.08 -3.53 0.07 0.00 0.01 0.00 0.00 46.19 42.82 1q8l s LEU 11 CO 0.05 -1.17 0.28 -0.75 1.01 0.00 0.00 176.35 175.77 1q8l s LYS 12 N 4.57 2.71 -0.03 1.70 2.20 -1.26 -2.96 119.74 126.68 1q8l s LYS 12 Ca 0.78 -1.38 -0.12 0.00 -0.36 0.00 0.00 55.97 54.89 1q8l s LYS 12 Cb -0.32 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.10 1q8l s LYS 12 CO 0.32 -0.93 0.33 -1.64 -0.36 0.00 0.00 175.35 173.06 1q8l s MET 13 N 1.49 3.75 -0.59 4.03 -1.94 0.69 -0.99 119.30 125.74 1q8l s MET 13 Ca 0.03 0.22 0.04 0.00 -1.71 0.00 0.00 55.69 54.27 1q8l s MET 13 Cb -0.23 -3.19 0.16 0.00 2.01 0.00 0.00 34.83 33.59 1q8l s MET 13 CO 0.04 0.70 0.41 0.21 -0.01 0.00 0.00 175.02 176.37 1q8l s LYS 14 N -1.17 1.90 1.09 2.03 2.47 -1.26 -1.52 119.74 123.27 1q8l s LYS 14 Ca 0.22 -2.83 -0.15 0.00 -1.56 0.00 0.00 55.97 51.64 1q8l s LYS 14 Cb -0.15 -2.79 0.23 0.00 -1.46 0.00 0.00 37.83 33.67 1q8l s LYS 14 CO 0.11 -1.29 1.11 0.08 0.16 0.00 0.00 175.35 175.53 1q8l s VAL 15 N -0.79 1.83 -0.39 4.02 1.01 -1.07 -0.67 120.40 124.34 1q8l s VAL 15 Ca 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1q8l s VAL 15 Cb -0.06 -2.52 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1q8l s VAL 15 CO -0.14 0.00 0.28 -0.70 0.00 0.00 0.00 175.10 174.54 1q8l s GLU 16 N -5.20 3.08 0.59 2.72 2.12 -1.07 -4.44 118.70 116.49 1q8l s GLU 16 Ca 0.68 -0.94 0.28 0.00 0.36 0.00 0.00 54.97 55.36 1q8l s GLU 16 Cb -0.14 -3.93 1.62 0.00 0.26 0.00 0.00 34.13 31.95 1q8l s GLU 16 CO 0.57 -0.68 2.07 0.78 -0.54 0.00 0.00 175.26 177.46 1q8l h GLY 17 N 8.59 0.00 -5.25 -1.50 0.00 -1.92 -3.45 103.07 99.54 1q8l h GLY 17 Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1q8l h GLY 17 CO 0.71 0.00 -1.22 -0.13 0.00 0.00 0.00 176.54 175.89 1q8l n MET 18 N -3.81 -3.87 0.00 4.80 1.56 -1.26 -3.87 117.12 110.67 1q8l n MET 18 Ca 0.03 2.97 0.00 0.00 -0.27 0.00 0.00 57.70 60.42 1q8l n MET 18 Cb 0.37 -4.07 0.00 0.00 2.15 0.00 0.00 33.22 31.67 1q8l n MET 18 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1q8l n THR 19 N 1.92 0.00 0.28 1.12 -2.24 -1.26 -3.27 114.28 110.84 1q8l n THR 19 Ca -0.32 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.61 1q8l n THR 19 Cb 0.49 0.00 0.84 0.00 -2.10 0.00 0.00 70.33 69.57 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8l n HIS 21 N -3.63 -3.94 0.00 0.00 8.25 -1.20 -5.01 115.22 109.69 1q8l n HIS 21 Ca -0.02 -0.89 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 1q8l n HIS 21 Cb 0.17 -0.82 0.00 0.00 1.12 0.00 0.00 29.99 30.46 1q8l n HIS 21 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1q8l n SER 22 N -3.83 0.00 -1.24 0.41 3.41 -1.25 -4.45 113.62 106.66 1q8l n SER 22 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1q8l n SER 22 Cb 0.46 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1q8l n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q8l n THR 24 N -1.97 0.00 -0.17 0.00 -2.24 -1.26 -3.78 114.28 104.86 1q8l n THR 24 Ca -0.13 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.57 1q8l n THR 24 Cb 0.50 -0.47 0.02 0.00 -2.10 0.00 0.00 70.33 68.28 1q8l n THR 24 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1q8l h SER 25 N 0.05 0.61 0.08 3.42 0.02 -2.01 -0.67 113.55 115.06 1q8l h SER 25 Ca 0.00 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 1q8l h SER 25 Cb 0.16 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1q8l h SER 25 CO 0.00 0.50 -0.42 0.71 -1.14 0.00 0.00 176.83 176.48 1q8l h THR 26 N 0.67 1.31 -0.62 -2.27 1.35 -1.98 -3.04 112.91 108.33 1q8l h THR 26 Ca 0.18 -1.58 -0.08 0.00 -0.55 0.00 0.00 66.41 64.38 1q8l h THR 26 Cb 0.01 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 1q8l h THR 26 CO -0.03 0.49 0.08 0.40 -0.25 0.00 0.00 175.52 176.20 1q8l h ILE 27 N 0.36 1.26 0.53 6.82 2.04 -1.57 -1.02 117.51 125.93 1q8l h ILE 27 Ca 0.03 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1q8l h ILE 27 Cb 0.89 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1q8l h ILE 27 CO 0.07 0.38 -0.30 -0.08 0.00 0.00 0.00 178.15 178.23 1q8l h GLU 28 N 0.94 -0.75 -0.08 2.37 4.81 -1.06 -1.21 114.58 119.61 1q8l h GLU 28 Ca 0.18 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1q8l h GLU 28 Cb 0.46 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1q8l h GLU 28 CO 0.02 -0.50 -0.02 0.78 -0.73 0.00 0.00 179.01 178.56 1q8l h GLY 29 N -0.78 0.12 0.98 1.92 0.00 -1.50 -0.04 103.07 103.78 1q8l h GLY 29 Ca -0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1q8l h GLY 29 CO 0.09 0.05 -0.27 1.70 0.00 0.00 0.00 176.54 178.11 1q8l h LYS 30 N 0.11 0.72 0.00 4.80 3.11 -0.85 -2.12 116.57 122.34 1q8l h LYS 30 Ca 0.03 -0.37 -0.13 0.00 -2.81 0.00 0.00 60.65 57.37 1q8l h LYS 30 Cb 0.12 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 1q8l h LYS 30 CO 0.00 0.99 -0.62 0.82 -2.81 0.00 0.00 179.45 177.83 1q8l h ILE 31 N 0.48 1.41 0.00 2.00 2.04 -0.70 -2.88 117.51 119.86 1q8l h ILE 31 Ca 0.05 -2.16 -0.05 0.00 1.00 0.00 0.00 64.86 63.69 1q8l h ILE 31 Cb 0.84 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1q8l h ILE 31 CO 0.07 0.61 -0.25 1.23 0.00 0.00 0.00 178.15 179.81 1q8l h GLY 32 N 1.97 0.00 2.00 5.37 0.00 -0.87 -2.84 103.07 108.70 1q8l h GLY 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1q8l h GLY 32 CO 0.08 0.00 0.00 1.70 0.00 0.00 0.00 176.54 178.32 1q8l h LYS 33 N 0.00 0.00 -6.57 4.80 3.11 -1.16 -3.46 116.57 113.30 1q8l h LYS 33 Ca -0.00 0.00 -0.52 0.00 -2.81 0.00 0.00 60.65 57.31 1q8l h LYS 33 Cb 0.83 0.00 0.05 0.00 -1.00 0.00 0.00 32.23 32.11 1q8l h LYS 33 CO 0.03 0.00 1.04 -0.51 -2.81 0.00 0.00 179.45 177.21 1q8l s LEU 34 N -5.55 4.38 0.34 5.20 1.43 -1.07 -4.96 118.68 118.44 1q8l s LEU 34 Ca 0.07 2.77 -0.28 0.00 -1.03 0.00 0.00 54.13 55.66 1q8l s LEU 34 Cb 0.08 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 1q8l s LEU 34 CO 0.60 -0.97 1.16 0.00 0.23 0.00 0.00 176.35 177.37 1q8l s GLN 35 N 1.99 4.37 0.00 1.70 -2.07 -1.26 -3.33 119.66 121.06 1q8l s GLN 35 Ca 0.77 1.87 0.00 0.00 -1.82 0.00 0.00 55.36 56.18 1q8l s GLN 35 Cb -0.47 -2.96 0.00 0.00 -1.09 0.00 0.00 33.01 28.50 1q8l s GLN 35 CO 0.34 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.67 1q8l n GLY 36 N 0.87 0.66 3.81 2.60 0.00 -1.26 -4.56 105.19 107.31 1q8l n GLY 36 Ca 0.01 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1q8l n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q8l s VAL 37 N -2.00 5.44 0.00 1.61 1.01 -1.21 -2.92 120.40 122.33 1q8l s VAL 37 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1q8l s VAL 37 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1q8l s VAL 37 CO 0.00 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.63 1q8l n GLN 38 N 2.72 0.00 -3.71 2.72 3.00 -0.88 -4.98 117.38 116.26 1q8l n GLN 38 Ca -0.18 0.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.56 1q8l n GLN 38 Cb 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 30.24 30.54 1q8l n GLN 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1q8l s ARG 39 N -0.19 3.51 -0.24 -1.09 6.06 -0.70 -4.96 118.95 121.36 1q8l s ARG 39 Ca 0.00 -0.36 -0.09 0.00 -2.50 0.00 0.00 55.73 52.79 1q8l s ARG 39 Cb 0.00 -2.84 0.10 0.00 0.06 0.00 0.00 34.95 32.27 1q8l s ARG 39 CO 0.00 0.40 0.51 -1.50 -2.50 0.00 0.00 175.30 172.21 1q8l s ILE 40 N -1.87 -0.70 0.03 4.11 2.07 -1.26 -1.03 121.20 122.54 1q8l s ILE 40 Ca 0.38 0.10 -0.15 0.00 -1.41 0.00 0.00 60.65 59.57 1q8l s ILE 40 Cb -0.11 -0.79 0.02 0.00 0.13 0.00 0.00 42.46 41.71 1q8l s ILE 40 CO 0.29 0.04 0.33 -1.59 -1.91 0.00 0.00 174.94 172.10 1q8l s LYS 41 N 2.59 0.79 -0.04 3.50 -2.85 -1.25 -5.00 119.74 117.49 1q8l s LYS 41 Ca -0.04 -0.38 0.03 0.00 -1.00 0.00 0.00 55.97 54.58 1q8l s LYS 41 Cb -0.11 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1q8l s LYS 41 CO -0.15 -0.25 -0.12 0.08 0.10 0.00 0.00 175.35 175.01 1q8l s VAL 42 N -2.17 1.05 0.07 1.79 1.01 -1.26 -1.21 120.40 119.69 1q8l s VAL 42 Ca -0.08 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1q8l s VAL 42 Cb -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1q8l s VAL 42 CO -0.01 0.32 0.08 -0.44 0.00 0.00 0.00 175.10 175.05 1q8l s SER 43 N 0.29 5.55 0.00 3.32 0.01 -0.10 -4.94 113.70 117.83 1q8l s SER 43 Ca -0.06 0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.26 1q8l s SER 43 Cb -0.11 -1.50 0.33 0.00 0.21 0.00 0.00 66.02 64.94 1q8l s SER 43 CO 0.02 0.19 0.72 0.00 0.41 0.00 0.00 173.24 174.57 1q8l n LEU 44 N 0.55 0.00 -3.76 2.44 -0.00 -1.26 -1.43 117.00 113.54 1q8l n LEU 44 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.50 1q8l n LEU 44 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1q8l n LEU 44 CO 0.43 0.00 2.23 0.47 -0.00 0.00 0.00 177.39 180.53 1q8l n ASP 45 N -0.77 5.33 -3.17 1.45 8.00 -1.26 -4.57 116.55 121.57 1q8l n ASP 45 Ca 0.04 -3.03 -0.08 0.00 0.71 0.00 0.00 54.79 52.43 1q8l n ASP 45 Cb 0.02 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1q8l n ASN 46 N 4.07 -7.21 -4.17 -2.24 4.13 -1.26 -3.05 115.26 105.52 1q8l n ASN 46 Ca 0.47 -0.11 -0.38 0.00 1.68 0.00 0.00 54.58 56.23 1q8l n ASN 46 Cb 0.35 -4.52 -0.04 0.00 -1.54 0.00 0.00 39.78 34.03 1q8l n ASN 46 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1q8l n GLN 47 N -1.56 -0.78 -2.53 3.52 -0.06 -1.24 -2.60 117.38 112.14 1q8l n GLN 47 Ca -0.04 0.11 -0.42 0.00 -2.00 0.00 0.00 57.00 54.66 1q8l n GLN 47 Cb 0.54 -3.18 -0.01 0.00 -4.06 0.00 0.00 30.24 23.53 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1q8l s GLU 48 N -7.33 3.83 0.06 3.69 2.12 -0.51 -2.90 118.70 117.67 1q8l s GLU 48 Ca 0.24 -1.86 -0.30 0.00 0.36 0.00 0.00 54.97 53.40 1q8l s GLU 48 Cb -0.13 -5.50 -0.05 0.00 0.26 0.00 0.00 34.13 28.71 1q8l s GLU 48 CO 0.98 -2.40 1.08 0.00 -0.54 0.00 0.00 175.26 174.37 1q8l s ALA 49 N 4.87 3.29 -0.50 6.30 0.00 -0.58 -0.92 121.76 134.22 1q8l s ALA 49 Ca 0.55 0.71 0.07 0.00 0.00 0.00 0.00 51.96 53.28 1q8l s ALA 49 Cb 0.03 -3.38 0.23 0.00 0.00 0.00 0.00 23.12 20.01 1q8l s ALA 49 CO 0.07 -0.28 0.58 2.41 0.00 0.00 0.00 175.76 178.53 1q8l n THR 50 N 3.54 0.48 -2.84 0.00 -1.04 -0.35 -0.23 114.28 113.85 1q8l n THR 50 Ca 0.06 -4.43 -0.40 0.00 -2.04 0.00 0.00 64.05 57.24 1q8l n THR 50 Cb 0.48 -1.99 -0.05 0.00 -1.82 0.00 0.00 70.33 66.95 1q8l n THR 50 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1q8l s ILE 51 N -1.50 4.35 0.06 12.58 1.09 -1.16 -3.94 121.20 132.67 1q8l s ILE 51 Ca 0.36 1.92 0.06 0.00 -1.10 0.00 0.00 60.65 61.89 1q8l s ILE 51 Cb 0.13 -4.25 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 1q8l s ILE 51 CO -0.09 0.44 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.37 1q8l s VAL 52 N -0.73 3.16 0.24 2.92 1.01 -0.20 -2.72 120.40 124.08 1q8l s VAL 52 Ca 0.41 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1q8l s VAL 52 Cb -0.24 -2.40 0.07 0.00 0.00 0.00 0.00 36.38 33.81 1q8l s VAL 52 CO 0.29 0.26 0.95 -0.72 0.00 0.00 0.00 175.10 175.87 1q8l s TYR 53 N -1.05 0.04 -0.14 5.22 1.13 -0.72 -1.71 117.35 120.12 1q8l s TYR 53 Ca 0.18 -0.50 -0.23 0.00 -1.41 0.00 0.00 57.07 55.11 1q8l s TYR 53 Cb -0.11 0.73 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 1q8l s TYR 53 CO 0.09 -1.09 0.71 1.14 -2.51 0.00 0.00 175.55 173.89 1q8l s GLN 54 N -2.46 4.31 -1.39 -3.49 -2.07 -1.15 0.03 119.66 113.45 1q8l s GLN 54 Ca 0.18 0.82 -0.14 0.00 -1.82 0.00 0.00 55.36 54.40 1q8l s GLN 54 Cb -0.03 -3.53 -0.01 0.00 -1.09 0.00 0.00 33.01 28.35 1q8l s GLN 54 CO 0.06 -0.16 2.31 -0.35 -1.32 0.00 0.00 175.29 175.84 1q8l n PRO 55 N 4.66 2.81 0.00 9.60 -0.04 -1.26 -3.44 135.00 147.33 1q8l n PRO 55 Ca 0.00 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1q8l n PRO 55 Cb 0.50 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1q8l n PRO 55 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1q8l n HIS 56 N 5.79 0.00 0.00 0.54 1.44 -1.26 -4.97 115.22 116.76 1q8l n HIS 56 Ca 0.56 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 56.10 1q8l n HIS 56 Cb 0.36 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.35 1q8l n HIS 56 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1q8l h LEU 57 N 0.00 0.49 -7.72 2.39 7.12 -1.90 -3.48 115.31 112.21 1q8l h LEU 57 Ca 0.00 -0.77 0.18 0.00 0.13 0.00 0.00 57.88 57.42 1q8l h LEU 57 Cb 0.00 -0.15 -0.07 0.00 -0.53 0.00 0.00 40.66 39.91 1q8l h LEU 57 CO 0.00 1.20 0.54 -0.51 -0.13 0.00 0.00 178.44 179.54 1q8l s ILE 58 N -3.16 0.00 -0.26 4.05 1.10 -1.26 -5.00 121.20 116.67 1q8l s ILE 58 Ca -0.13 -0.61 0.02 0.00 -0.51 0.00 0.00 60.65 59.41 1q8l s ILE 58 Cb 0.03 -2.28 0.05 0.00 0.15 0.00 0.00 42.46 40.42 1q8l s ILE 58 CO 0.81 0.00 -0.10 -0.44 -2.11 0.00 0.00 174.94 173.10 1q8l s SER 59 N -3.09 4.40 0.59 4.50 0.01 -1.26 -4.80 113.70 114.05 1q8l s SER 59 Ca 0.15 -1.31 0.36 0.00 1.31 0.00 0.00 55.95 56.46 1q8l s SER 59 Cb -0.01 -1.57 1.79 0.00 0.21 0.00 0.00 66.02 66.44 1q8l s SER 59 CO 0.03 -0.18 2.15 0.58 0.41 0.00 0.00 173.24 176.23 1q8l h VAL 60 N 6.65 0.15 -0.62 3.43 2.07 -1.98 -1.89 116.25 124.07 1q8l h VAL 60 Ca -0.22 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1q8l h VAL 60 Cb 1.05 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1q8l h VAL 60 CO 0.49 0.03 0.05 -0.08 0.02 0.00 0.00 177.57 178.08 1q8l h GLU 61 N 0.00 1.04 -0.23 1.57 4.22 -1.97 0.29 114.58 119.50 1q8l h GLU 61 Ca -0.00 -0.29 -0.16 0.00 0.08 0.00 0.00 59.36 58.99 1q8l h GLU 61 Cb 0.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1q8l h GLU 61 CO 0.00 0.98 -0.51 1.49 -2.18 0.00 0.00 179.01 178.80 1q8l h GLU 62 N 0.96 0.65 0.00 1.92 4.57 -1.76 -0.87 114.58 120.05 1q8l h GLU 62 Ca 0.18 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 1q8l h GLU 62 Cb 0.48 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1q8l h GLU 62 CO 0.02 1.00 -0.14 0.52 -1.18 0.00 0.00 179.01 179.23 1q8l h MET 63 N 0.51 0.00 -0.00 1.92 2.86 -1.23 -2.61 114.93 116.38 1q8l h MET 63 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1q8l h MET 63 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1q8l h MET 63 CO 0.10 0.14 -0.82 0.36 1.06 0.00 0.00 176.91 177.76 1q8l n LYS 64 N -3.27 0.19 0.08 1.72 -0.00 0.96 -4.02 118.16 113.81 1q8l n LYS 64 Ca 0.01 -0.15 0.02 0.00 -0.00 0.00 0.00 58.31 58.19 1q8l n LYS 64 Cb 0.40 -1.50 0.38 0.00 -0.00 0.00 0.00 35.03 34.32 1q8l n LYS 64 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1q8l h LYS 65 N 0.36 0.34 0.00 -1.58 3.11 -0.75 -0.83 116.57 117.22 1q8l h LYS 65 Ca 0.00 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1q8l h LYS 65 Cb 0.53 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1q8l h LYS 65 CO 0.00 0.41 -0.02 -0.56 -2.81 0.00 0.00 179.45 176.47 1q8l h GLN 66 N 0.33 0.00 -0.11 1.90 -0.00 -1.70 0.92 115.11 116.46 1q8l h GLN 66 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.59 1q8l h GLN 66 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 1q8l h GLN 66 CO 0.01 0.02 -0.51 0.82 -0.00 0.00 0.00 178.83 179.16 1q8l h ILE 67 N 0.00 1.35 0.00 1.86 2.04 -1.40 -0.99 117.51 120.38 1q8l h ILE 67 Ca -0.00 -1.77 -0.15 0.00 1.00 0.00 0.00 64.86 63.94 1q8l h ILE 67 Cb 0.05 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1q8l h ILE 67 CO 0.00 0.53 -0.72 -0.33 0.00 0.00 0.00 178.15 177.63 1q8l h GLU 68 N 0.23 0.00 -0.08 2.37 5.08 -0.89 -1.58 114.58 119.71 1q8l h GLU 68 Ca 0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1q8l h GLU 68 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1q8l h GLU 68 CO 0.08 0.72 -0.73 0.00 -1.00 0.00 0.00 179.01 178.08 1q8l h ALA 69 N 1.28 0.58 0.00 3.43 0.00 -0.82 -2.94 119.26 120.79 1q8l h ALA 69 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1q8l h ALA 69 Cb 1.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1q8l h ALA 69 CO 0.09 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.10 1q8l h MET 70 N 0.29 0.00 0.00 0.00 -0.00 -1.19 -3.46 114.93 110.57 1q8l h MET 70 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1q8l h MET 70 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 1q8l h MET 70 CO 0.13 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.45 1q8l n GLY 71 N -0.02 0.10 3.19 -3.00 0.00 -1.11 -5.09 105.19 99.26 1q8l n GLY 71 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1q8l n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q8l s PHE 72 N -1.01 3.75 0.14 1.61 0.40 -0.60 -5.00 117.98 117.26 1q8l s PHE 72 Ca 0.00 -2.61 -0.35 0.00 -0.60 0.00 0.00 56.93 53.37 1q8l s PHE 72 Cb 0.00 -3.46 -0.15 0.00 0.51 0.00 0.00 43.02 39.92 1q8l s PHE 72 CO 0.00 -0.87 1.42 -0.35 0.70 0.00 0.00 175.22 176.13 1q8l n PRO 73 N 3.19 1.62 -4.07 0.24 -0.04 -1.26 -3.47 135.00 131.20 1q8l n PRO 73 Ca 0.15 0.58 -0.35 0.00 -0.04 0.00 0.00 63.50 63.85 1q8l n PRO 73 Cb 0.40 -2.26 -0.12 0.00 -0.04 0.00 0.00 33.50 31.47 1q8l n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q8l s ALA 74 N 0.55 3.05 -0.03 0.55 0.00 -1.26 -2.61 121.76 122.01 1q8l s ALA 74 Ca 0.80 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 1q8l s ALA 74 Cb -0.81 -1.78 -0.20 0.00 0.00 0.00 0.00 23.12 20.32 1q8l s ALA 74 CO 0.44 -0.13 1.16 0.74 0.00 0.00 0.00 175.76 177.97 1q8l h PHE 75 N 7.45 0.21 -4.61 0.00 0.04 -1.17 -3.42 116.94 115.44 1q8l h PHE 75 Ca -0.36 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1q8l h PHE 75 Cb 1.18 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 1q8l h PHE 75 CO 0.59 0.76 -0.79 0.28 -0.60 0.00 0.00 178.31 178.55 1q8l n VAL 76 N -4.63-10.46 0.29 -0.55 0.31 -1.25 -4.75 118.33 97.28 1q8l n VAL 76 Ca -0.08 2.46 0.18 0.00 -0.01 0.00 0.00 64.34 66.88 1q8l n VAL 76 Cb 0.39 -5.11 0.97 0.00 -0.91 0.00 0.00 33.84 29.18 1q8l n VAL 76 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1q8l h LYS 77 N 4.26 0.00 -2.66 5.55 3.64 -1.39 -3.24 116.57 122.73 1q8l h LYS 77 Ca -0.02 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.76 1q8l h LYS 77 Cb 0.05 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.48 1q8l h LYS 77 CO 0.00 0.00 -0.83 0.21 -2.27 0.00 0.00 179.45 176.56 1q8l s LYS 78 N -4.47 1.29 0.08 1.90 2.36 -1.22 -5.02 119.74 114.66 1q8l s LYS 78 Ca -0.05 -2.29 0.01 0.00 -2.55 0.00 0.00 55.97 51.09 1q8l s LYS 78 Cb 0.14 -2.02 -0.04 0.00 -1.05 0.00 0.00 37.83 34.86 1q8l s LYS 78 CO 0.49 -1.31 0.22 1.14 1.55 0.00 0.00 175.35 177.44 1q8l s GLN 79 N -0.13 3.41 -0.94 4.03 -2.07 -1.22 -4.74 119.66 118.00 1q8l s GLN 79 Ca 0.27 -0.48 -0.22 0.00 -1.82 0.00 0.00 55.36 53.10 1q8l s GLN 79 Cb -0.06 -3.01 0.07 0.00 -1.09 0.00 0.00 33.01 28.93 1q8l s GLN 79 CO -0.13 0.59 1.30 -1.25 -1.32 0.00 0.00 175.29 174.47 1q8l s PRO 80 N -2.64 3.51 0.18 9.60 0.04 -1.26 -4.80 135.00 139.63 1q8l s PRO 80 Ca 0.35 -1.20 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1q8l s PRO 80 Cb -0.13 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1q8l s PRO 80 CO 0.28 -2.04 0.00 1.17 0.04 0.00 0.00 177.00 176.44 1q8l n LYS 81 N 8.15 0.00 -0.50 4.56 0.00 -1.26 -4.76 118.16 124.35 1q8l n LYS 81 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.27 1q8l n LYS 81 Cb 0.50 0.00 0.26 0.00 0.00 0.00 0.00 35.03 35.79 1q8l n LYS 81 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1q8l s TYR 82 N 0.00 1.28 -0.74 5.64 2.02 -1.26 -4.85 117.35 119.44 1q8l s TYR 82 Ca 0.00 1.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 1q8l s TYR 82 Cb 0.00 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.47 1q8l s TYR 82 CO 0.00 -3.97 0.41 1.28 -1.57 0.00 0.00 175.55 171.70 1q8l n LEU 83 N -4.99 0.99 0.00 -1.29 7.99 -1.26 -4.83 117.00 113.60 1q8l n LEU 83 Ca 0.03 -0.49 0.09 0.00 -0.01 0.00 0.00 56.01 55.62 1q8l n LEU 83 Cb 0.54 -0.33 0.54 0.00 -0.11 0.00 0.00 43.42 44.06 1q8l n LEU 83 CO 0.57 0.21 0.74 0.29 -1.51 0.00 0.00 177.39 177.68