#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 0.00 -3.66 1.61 7.64 -1.26 -5.14 113.62 112.82 1q8l n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1q8l n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1q8l n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q8l s MET 3 N -1.00 1.42 0.31 1.43 0.00 -1.26 -5.19 119.30 115.01 1q8l s MET 3 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 55.69 54.89 1q8l s MET 3 Cb 0.00 0.56 0.02 0.00 0.00 0.00 0.00 34.83 35.41 1q8l s MET 3 CO 0.00 -0.62 0.48 0.00 0.00 0.00 0.00 175.02 174.88 1q8l n ALA 4 N -0.37 -0.59 0.33 3.16 0.00 -1.26 -5.03 120.51 116.76 1q8l n ALA 4 Ca -0.11 -1.31 0.22 0.00 0.00 0.00 0.00 53.44 52.24 1q8l n ALA 4 Cb 0.63 1.06 1.18 0.00 0.00 0.00 0.00 19.45 22.31 1q8l n ALA 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1q8l h GLN 5 N 0.00 0.00 -4.09 0.00 3.07 -2.03 -3.46 115.11 108.61 1q8l h GLN 5 Ca -0.25 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.14 1q8l h GLN 5 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.58 1q8l h GLN 5 CO 0.33 0.00 -0.48 0.00 0.09 0.00 0.00 178.83 178.76 1q8l n ALA 6 N -2.09 -0.84 -1.14 0.06 0.00 -1.26 -4.85 120.51 110.39 1q8l n ALA 6 Ca -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1q8l n ALA 6 Cb 0.09 -2.49 0.26 0.00 0.00 0.00 0.00 19.45 17.31 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 -1.10 4.04 3.38 0.00 0.00 -1.26 -4.75 105.19 105.51 1q8l n GLY 7 Ca -0.14 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.08 1.10 -0.10 1.61 1.03 -1.26 -4.32 118.70 113.68 1q8l s GLU 8 Ca 0.53 -0.40 -0.04 0.00 0.03 0.00 0.00 54.97 55.09 1q8l s GLU 8 Cb 0.44 0.50 0.05 0.00 -0.80 0.00 0.00 34.13 34.32 1q8l s GLU 8 CO 0.11 -0.43 0.22 0.14 -1.33 0.00 0.00 175.26 173.96 1q8l s VAL 9 N -3.07 -0.15 -0.34 1.83 -7.23 0.28 -4.76 120.40 106.97 1q8l s VAL 9 Ca -0.02 0.21 -0.17 0.00 -1.81 0.00 0.00 61.98 60.19 1q8l s VAL 9 Cb -0.00 -0.35 -0.01 0.00 0.56 0.00 0.00 36.38 36.58 1q8l s VAL 9 CO -0.07 0.09 0.47 0.68 -0.31 0.00 0.00 175.10 175.96 1q8l s VAL 10 N 1.62 5.06 -0.30 1.32 -7.23 -1.26 -2.53 120.40 117.09 1q8l s VAL 10 Ca -0.06 0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 60.43 1q8l s VAL 10 Cb -0.11 -3.91 0.05 0.00 0.56 0.00 0.00 36.38 32.97 1q8l s VAL 10 CO -0.08 -0.14 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.81 1q8l s LEU 11 N 2.28 3.83 -0.20 1.32 2.01 -1.21 -5.06 118.68 121.67 1q8l s LEU 11 Ca 0.17 -1.23 -0.09 0.00 0.01 0.00 0.00 54.13 52.99 1q8l s LEU 11 Cb -0.16 -1.71 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 1q8l s LEU 11 CO 0.12 -0.25 0.11 -0.54 1.01 0.00 0.00 176.35 176.81 1q8l s LYS 12 N 1.26 4.13 -0.06 1.70 3.01 -1.26 -3.12 119.74 125.41 1q8l s LYS 12 Ca -0.05 -0.25 -0.05 0.00 -1.01 0.00 0.00 55.97 54.61 1q8l s LYS 12 Cb -0.19 -3.37 0.02 0.00 -1.01 0.00 0.00 37.83 33.27 1q8l s LYS 12 CO -0.01 0.30 0.15 -1.64 0.51 0.00 0.00 175.35 174.66 1q8l s MET 13 N 0.35 0.17 0.10 1.68 -1.94 -0.23 -1.65 119.30 117.79 1q8l s MET 13 Ca 0.07 0.23 0.03 0.00 -1.71 0.00 0.00 55.69 54.31 1q8l s MET 13 Cb -0.11 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.75 1q8l s MET 13 CO -0.01 -0.03 0.11 0.21 -0.01 0.00 0.00 175.02 175.28 1q8l s LYS 14 N 0.18 2.93 0.32 2.03 2.20 -0.74 -0.62 119.74 126.04 1q8l s LYS 14 Ca -0.01 -0.73 0.04 0.00 -0.36 0.00 0.00 55.97 54.92 1q8l s LYS 14 Cb -0.02 -2.72 -0.06 0.00 -1.51 0.00 0.00 37.83 33.51 1q8l s LYS 14 CO -0.00 0.54 0.05 0.08 -0.36 0.00 0.00 175.35 175.66 1q8l s VAL 15 N -1.50 1.25 -0.41 4.02 1.01 -0.59 -0.04 120.40 124.13 1q8l s VAL 15 Ca 0.30 -2.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.07 1q8l s VAL 15 Cb -0.12 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1q8l s VAL 15 CO 0.23 -0.03 0.61 -0.70 0.00 0.00 0.00 175.10 175.21 1q8l s GLU 16 N -3.87 3.37 0.00 2.72 2.12 -0.35 -4.54 118.70 118.15 1q8l s GLU 16 Ca 0.36 -0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.45 1q8l s GLU 16 Cb 0.08 -3.91 0.43 0.00 0.26 0.00 0.00 34.13 30.99 1q8l s GLU 16 CO 0.15 -0.90 0.87 0.41 -0.54 0.00 0.00 175.26 175.25 1q8l n GLY 17 N 4.96 -0.47 2.83 -1.50 0.00 -1.26 -4.76 105.19 104.99 1q8l n GLY 17 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1q8l n GLY 17 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1q8l n MET 18 N -0.74 -1.92 -0.11 1.61 1.56 -1.26 -4.54 117.12 111.72 1q8l n MET 18 Ca 0.05 1.61 0.27 0.00 -0.27 0.00 0.00 57.70 59.36 1q8l n MET 18 Cb 0.02 -1.73 0.71 0.00 2.15 0.00 0.00 33.22 34.37 1q8l n MET 18 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1q8l h THR 19 N 4.75 0.38 0.43 1.12 1.03 -2.02 -1.95 112.91 116.64 1q8l h THR 19 Ca -0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.27 1q8l h THR 19 Cb 0.25 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 67.83 1q8l h THR 19 CO 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 175.52 175.31 1q8l n HIS 21 N -5.24 0.00 -3.61 0.00 -0.00 -0.73 -5.19 115.22 100.44 1q8l n HIS 21 Ca -0.11 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.58 1q8l n HIS 21 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.26 1q8l n HIS 21 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1q8l s SER 22 N 2.00 -0.09 0.00 0.26 1.04 -1.26 -4.46 113.70 111.18 1q8l s SER 22 Ca 0.00 -0.00 0.13 0.00 0.48 0.00 0.00 55.95 56.55 1q8l s SER 22 Cb 0.00 0.10 0.21 0.00 0.10 0.00 0.00 66.02 66.43 1q8l s SER 22 CO 0.00 -0.17 1.04 0.00 0.98 0.00 0.00 173.24 175.09 1q8l n THR 24 N 0.24 0.77 -0.29 0.00 -2.24 -1.26 -3.26 114.28 108.24 1q8l n THR 24 Ca -0.03 0.13 0.08 0.00 -2.27 0.00 0.00 64.05 61.96 1q8l n THR 24 Cb 0.90 -0.99 0.31 0.00 -2.10 0.00 0.00 70.33 68.44 1q8l n THR 24 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1q8l h SER 25 N 0.00 0.79 0.29 3.42 4.64 -2.01 -0.57 113.55 120.11 1q8l h SER 25 Ca 0.00 0.03 -0.26 0.00 -0.47 0.00 0.00 61.79 61.09 1q8l h SER 25 Cb 0.42 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1q8l h SER 25 CO 0.00 0.44 -1.09 0.71 -0.87 0.00 0.00 176.83 176.02 1q8l h THR 26 N 0.86 1.37 -0.58 2.95 1.35 -1.99 -3.26 112.91 113.61 1q8l h THR 26 Ca 0.44 -2.53 -0.01 0.00 -0.55 0.00 0.00 66.41 63.76 1q8l h THR 26 Cb 0.49 2.58 -0.03 0.00 -1.73 0.00 0.00 68.15 69.46 1q8l h THR 26 CO -0.20 0.76 0.33 0.40 -0.25 0.00 0.00 175.52 176.56 1q8l h ILE 27 N 0.24 1.17 0.45 6.82 2.04 -1.31 -0.75 117.51 126.17 1q8l h ILE 27 Ca -0.13 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 1q8l h ILE 27 Cb 1.75 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1q8l h ILE 27 CO 0.20 0.19 -0.25 -0.08 0.00 0.00 0.00 178.15 178.21 1q8l h GLU 28 N 0.80 -0.62 0.00 2.37 4.81 -1.21 -2.03 114.58 118.71 1q8l h GLU 28 Ca 0.21 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1q8l h GLU 28 Cb 0.01 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1q8l h GLU 28 CO -0.04 -0.41 0.00 0.78 -0.73 0.00 0.00 179.01 178.61 1q8l h GLY 29 N -0.65 0.00 0.14 1.92 0.00 -1.61 -1.50 103.07 101.37 1q8l h GLY 29 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1q8l h GLY 29 CO 0.08 0.00 -0.03 1.70 0.00 0.00 0.00 176.54 178.29 1q8l h LYS 30 N 0.00 -0.07 0.00 4.80 1.63 -1.09 -3.13 116.57 118.71 1q8l h LYS 30 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1q8l h LYS 30 Cb 0.44 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1q8l h LYS 30 CO 0.00 0.48 -0.18 0.82 -3.45 0.00 0.00 179.45 177.11 1q8l h ILE 31 N -0.93 0.51 0.00 2.00 2.04 -1.38 -2.51 117.51 117.24 1q8l h ILE 31 Ca -0.01 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1q8l h ILE 31 Cb 0.58 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1q8l h ILE 31 CO 0.01 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1q8l n GLY 32 N -0.05 -1.52 0.81 5.37 0.00 -0.57 -2.83 105.19 106.41 1q8l n GLY 32 Ca -0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1q8l n GLY 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q8l n LYS 33 N -2.11 2.09 -2.13 1.61 0.00 -0.94 -4.95 118.16 111.73 1q8l n LYS 33 Ca 0.05 -1.61 -0.42 0.00 0.00 0.00 0.00 58.31 56.33 1q8l n LYS 33 Cb 0.35 -1.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.88 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1q8l s LEU 34 N -1.77 4.38 0.31 3.14 1.43 -1.13 -5.00 118.68 120.04 1q8l s LEU 34 Ca 0.34 2.40 -0.20 0.00 -1.03 0.00 0.00 54.13 55.64 1q8l s LEU 34 Cb 0.20 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.74 1q8l s LEU 34 CO 0.30 -0.67 0.82 -1.58 0.23 0.00 0.00 176.35 175.46 1q8l s GLN 35 N 0.89 4.27 -0.10 1.70 -0.44 -1.26 -3.75 119.66 120.98 1q8l s GLN 35 Ca 0.64 0.99 0.00 0.00 -2.50 0.00 0.00 55.36 54.49 1q8l s GLN 35 Cb -0.38 -2.62 0.00 0.00 -1.64 0.00 0.00 33.01 28.36 1q8l s GLN 35 CO 0.32 0.23 0.00 0.41 0.50 0.00 0.00 175.29 176.75 1q8l n GLY 36 N 0.17 0.48 3.85 2.59 0.00 -1.26 -4.53 105.19 106.49 1q8l n GLY 36 Ca 0.02 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.91 5.06 0.00 1.61 1.01 -1.25 -2.20 120.40 122.73 1q8l s VAL 37 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1q8l s VAL 37 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1q8l s VAL 37 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 175.10 175.55 1q8l n GLN 38 N 1.43 0.00 -3.72 2.72 6.02 -0.32 -4.91 117.38 118.59 1q8l n GLN 38 Ca -0.12 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.60 1q8l n GLN 38 Cb 0.52 -0.08 -0.03 0.00 1.02 0.00 0.00 30.24 31.67 1q8l n GLN 38 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1q8l s ARG 39 N 0.00 3.51 -0.23 -1.09 6.06 -0.29 -4.96 118.95 121.95 1q8l s ARG 39 Ca 0.00 -0.37 -0.05 0.00 -2.50 0.00 0.00 55.73 52.81 1q8l s ARG 39 Cb 0.00 -2.85 0.12 0.00 0.06 0.00 0.00 34.95 32.28 1q8l s ARG 39 CO 0.00 0.41 0.44 -1.50 -2.50 0.00 0.00 175.30 172.14 1q8l s ILE 40 N -1.87 -0.69 0.21 4.11 -1.16 -1.26 -1.04 121.20 119.50 1q8l s ILE 40 Ca 0.38 0.05 -0.13 0.00 -0.51 0.00 0.00 60.65 60.44 1q8l s ILE 40 Cb -0.11 -0.78 0.00 0.00 0.61 0.00 0.00 42.46 42.19 1q8l s ILE 40 CO 0.29 -0.01 0.44 -1.59 -2.81 0.00 0.00 174.94 171.26 1q8l s LYS 41 N 2.63 1.39 0.03 3.50 -2.85 -1.21 -5.01 119.74 118.22 1q8l s LYS 41 Ca 0.06 -1.11 0.02 0.00 -1.00 0.00 0.00 55.97 53.93 1q8l s LYS 41 Cb -0.14 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1q8l s LYS 41 CO -0.15 -0.57 -0.06 0.08 0.10 0.00 0.00 175.35 174.75 1q8l s VAL 42 N -3.96 0.40 0.08 1.79 1.01 -1.26 -1.29 120.40 117.17 1q8l s VAL 42 Ca 0.17 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1q8l s VAL 42 Cb 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1q8l s VAL 42 CO 0.03 -0.27 0.11 -0.55 0.00 0.00 0.00 175.10 174.42 1q8l s SER 43 N -1.13 5.70 0.00 3.32 0.15 0.24 -4.94 113.70 117.03 1q8l s SER 43 Ca -0.08 0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.71 1q8l s SER 43 Cb -0.08 -1.58 0.59 0.00 -1.71 0.00 0.00 66.02 63.24 1q8l s SER 43 CO 0.00 0.17 1.01 0.18 1.20 0.00 0.00 173.24 175.80 1q8l n LEU 44 N 0.39 0.00 -3.63 3.45 4.77 -1.26 -2.00 117.00 118.71 1q8l n LEU 44 Ca -0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.49 1q8l n LEU 44 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1q8l n LEU 44 CO 0.46 0.00 2.66 -0.67 -1.33 0.00 0.00 177.39 178.51 1q8l n ASP 45 N -0.92 5.80 -3.23 -1.43 2.03 -1.26 -4.55 116.55 112.99 1q8l n ASP 45 Ca 0.07 -2.88 -0.09 0.00 0.52 0.00 0.00 54.79 52.42 1q8l n ASP 45 Cb 0.03 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.88 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1q8l n ASN 46 N 4.47 -7.01 -4.31 1.67 4.13 -1.26 -2.98 115.26 109.97 1q8l n ASN 46 Ca 0.57 -0.20 -0.33 0.00 1.68 0.00 0.00 54.58 56.30 1q8l n ASN 46 Cb 0.33 -4.28 -0.08 0.00 -1.54 0.00 0.00 39.78 34.21 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 -1.68 -1.40 -2.55 3.52 -0.06 -1.22 -1.55 117.38 112.44 1q8l n GLN 47 Ca -0.06 0.17 -0.41 0.00 -2.00 0.00 0.00 57.00 54.69 1q8l n GLN 47 Cb 0.55 -4.07 -0.02 0.00 -4.06 0.00 0.00 30.24 22.64 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 -7.20 3.64 0.26 3.69 2.12 -0.85 -3.69 118.70 116.67 1q8l s GLU 48 Ca 0.23 -1.30 -0.30 0.00 0.36 0.00 0.00 54.97 53.97 1q8l s GLU 48 Cb -0.13 -5.39 -0.09 0.00 0.26 0.00 0.00 34.13 28.78 1q8l s GLU 48 CO 0.98 -2.27 1.14 0.00 -0.54 0.00 0.00 175.26 174.58 1q8l s ALA 49 N 5.00 3.42 -0.35 6.30 0.00 0.21 -0.59 121.76 135.75 1q8l s ALA 49 Ca 0.49 0.94 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 1q8l s ALA 49 Cb 0.01 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 19.90 1q8l s ALA 49 CO -0.05 -0.25 0.22 0.99 0.00 0.00 0.00 175.76 176.66 1q8l s THR 50 N -0.86 0.09 -0.18 0.00 2.01 -0.41 -1.07 115.64 115.22 1q8l s THR 50 Ca 0.47 -1.60 -0.11 0.00 0.31 0.00 0.00 61.69 60.75 1q8l s THR 50 Cb -0.33 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1q8l s THR 50 CO 0.41 -0.95 0.19 -0.63 -0.69 0.00 0.00 174.62 172.95 1q8l s ILE 51 N 1.16 5.37 -0.13 1.82 1.09 -1.18 -3.31 121.20 126.02 1q8l s ILE 51 Ca 0.17 0.32 -0.04 0.00 -1.10 0.00 0.00 60.65 60.00 1q8l s ILE 51 Cb -0.22 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 37.62 1q8l s ILE 51 CO -0.01 0.43 0.01 -0.69 -0.10 0.00 0.00 174.94 174.58 1q8l s VAL 52 N 0.35 4.37 0.25 2.92 1.01 -0.21 -3.29 120.40 125.81 1q8l s VAL 52 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1q8l s VAL 52 Cb -0.12 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1q8l s VAL 52 CO 0.00 0.54 0.40 -0.72 0.00 0.00 0.00 175.10 175.32 1q8l s TYR 53 N -0.22 0.64 0.39 5.22 1.13 -1.05 -1.13 117.35 122.33 1q8l s TYR 53 Ca 0.06 -0.96 -0.24 0.00 -1.41 0.00 0.00 57.07 54.52 1q8l s TYR 53 Cb -0.12 -0.02 -0.09 0.00 -1.10 0.00 0.00 41.96 40.63 1q8l s TYR 53 CO 0.02 -0.93 1.06 -0.65 -2.51 0.00 0.00 175.55 172.53 1q8l s GLN 54 N -3.91 4.18 0.00 -3.49 -0.21 -0.93 -0.56 119.66 114.74 1q8l s GLN 54 Ca 0.27 1.54 0.16 0.00 0.02 0.00 0.00 55.36 57.36 1q8l s GLN 54 Cb 0.01 -2.57 0.97 0.00 1.00 0.00 0.00 33.01 32.42 1q8l s GLN 54 CO 0.11 -0.14 1.39 -0.35 -2.12 0.00 0.00 175.29 174.19 1q8l n PRO 55 N -0.01 0.56 -0.72 2.91 -0.05 -1.26 -2.50 135.00 133.92 1q8l n PRO 55 Ca 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.48 1q8l n PRO 55 Cb 0.49 -1.46 -0.02 0.00 -0.05 0.00 0.00 33.50 32.47 1q8l n PRO 55 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 1q8l n HIS 56 N -0.96 0.00 -0.05 0.54 1.44 -1.26 -4.95 115.22 109.98 1q8l n HIS 56 Ca 0.12 -0.17 -0.21 0.00 -2.01 0.00 0.00 57.72 55.45 1q8l n HIS 56 Cb 0.06 0.21 -0.13 0.00 0.12 0.00 0.00 29.99 30.25 1q8l n HIS 56 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1q8l h LEU 57 N 0.10 0.18 -7.73 2.39 -0.00 -1.81 -3.50 115.31 104.94 1q8l h LEU 57 Ca -0.16 -0.71 0.01 0.00 -0.00 0.00 0.00 57.88 57.02 1q8l h LEU 57 Cb 1.27 -0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 41.79 1q8l h LEU 57 CO -0.06 1.57 0.13 -0.51 -0.00 0.00 0.00 178.44 179.58 1q8l s ILE 58 N -2.42 0.01 -0.30 1.22 -1.16 -1.26 -4.94 121.20 112.34 1q8l s ILE 58 Ca -0.25 -0.77 0.01 0.00 -0.51 0.00 0.00 60.65 59.13 1q8l s ILE 58 Cb 0.05 -1.69 0.07 0.00 0.61 0.00 0.00 42.46 41.49 1q8l s ILE 58 CO 0.68 -0.04 -0.01 -0.94 -2.81 0.00 0.00 174.94 171.82 1q8l s SER 59 N -2.88 4.74 0.40 4.50 1.04 -1.26 -4.95 113.70 115.29 1q8l s SER 59 Ca 0.09 -1.54 0.19 0.00 0.48 0.00 0.00 55.95 55.17 1q8l s SER 59 Cb -0.03 -1.65 0.83 0.00 0.10 0.00 0.00 66.02 65.27 1q8l s SER 59 CO 0.00 -0.28 1.82 0.58 0.98 0.00 0.00 173.24 176.34 1q8l h VAL 60 N 6.59 0.93 0.00 5.02 2.07 -2.00 -2.58 116.25 126.28 1q8l h VAL 60 Ca -0.17 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1q8l h VAL 60 Cb 1.05 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1q8l h VAL 60 CO 0.52 0.32 -0.05 -0.08 0.02 0.00 0.00 177.57 178.31 1q8l h GLU 61 N 0.00 0.00 -0.39 1.57 4.81 -1.99 -0.79 114.58 117.80 1q8l h GLU 61 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1q8l h GLU 61 Cb 0.73 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1q8l h GLU 61 CO 0.04 0.05 -0.25 1.49 -0.73 0.00 0.00 179.01 179.61 1q8l h GLU 62 N 0.00 0.85 -0.21 1.92 4.57 -1.89 -2.55 114.58 117.27 1q8l h GLU 62 Ca -0.00 -0.40 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1q8l h GLU 62 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1q8l h GLU 62 CO 0.01 1.04 0.04 0.52 -1.18 0.00 0.00 179.01 179.44 1q8l h MET 63 N 0.65 0.30 -0.31 1.92 2.86 -1.25 -1.40 114.93 117.70 1q8l h MET 63 Ca 0.08 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1q8l h MET 63 Cb 0.82 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1q8l h MET 63 CO 0.07 0.29 -0.11 0.87 1.06 0.00 0.00 176.91 179.09 1q8l h LYS 64 N 0.30 0.53 -0.40 1.72 1.79 -1.01 -2.37 116.57 117.12 1q8l h LYS 64 Ca 0.07 -0.15 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1q8l h LYS 64 Cb 0.14 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1q8l h LYS 64 CO -0.00 0.63 0.12 -0.22 -1.08 0.00 0.00 179.45 178.90 1q8l h LYS 65 N 0.49 0.58 -0.44 3.15 3.64 -1.06 -0.72 116.57 122.21 1q8l h LYS 65 Ca 0.09 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1q8l h LYS 65 Cb 0.48 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1q8l h LYS 65 CO 0.03 0.52 -0.21 1.96 -2.27 0.00 0.00 179.45 179.48 1q8l h GLN 66 N 0.58 0.89 0.00 1.90 1.08 -1.35 0.33 115.11 118.54 1q8l h GLN 66 Ca 0.14 -0.37 -0.07 0.00 -1.45 0.00 0.00 58.65 56.90 1q8l h GLN 66 Cb 0.18 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1q8l h GLN 66 CO -0.01 1.01 -0.33 0.82 -0.95 0.00 0.00 178.83 179.38 1q8l h ILE 67 N 0.77 1.10 0.00 2.54 2.04 -1.06 -1.01 117.51 121.89 1q8l h ILE 67 Ca 0.10 -1.18 -0.06 0.00 1.00 0.00 0.00 64.86 64.73 1q8l h ILE 67 Cb 0.76 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1q8l h ILE 67 CO 0.06 0.32 -0.82 -0.33 0.00 0.00 0.00 178.15 177.38 1q8l h GLU 68 N 0.00 0.00 0.13 2.37 5.08 -0.59 0.12 114.58 121.69 1q8l h GLU 68 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1q8l h GLU 68 Cb 0.63 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 1q8l h GLU 68 CO 0.04 0.14 -1.23 0.00 -1.00 0.00 0.00 179.01 176.96 1q8l h ALA 69 N 1.79 0.08 0.00 3.43 0.00 0.40 -3.20 119.26 121.75 1q8l h ALA 69 Ca -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1q8l h ALA 69 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1q8l h ALA 69 CO 0.02 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.12 1q8l n MET 70 N -3.64 0.17 0.00 0.00 0.00 -0.45 -4.89 117.12 108.30 1q8l n MET 70 Ca -0.10 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1q8l n MET 70 Cb 1.00 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 32.47 1q8l n MET 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1q8l n GLY 71 N 0.74 0.53 3.21 3.17 0.00 -1.21 -5.10 105.19 106.53 1q8l n GLY 71 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.79 3.52 0.19 1.61 0.08 0.42 -4.97 117.98 118.04 1q8l s PHE 72 Ca 0.00 -2.19 -0.31 0.00 0.12 0.00 0.00 56.93 54.55 1q8l s PHE 72 Cb 0.00 -3.50 -0.16 0.00 -0.57 0.00 0.00 43.02 38.79 1q8l s PHE 72 CO 0.00 -0.94 0.91 -2.30 -0.10 0.00 0.00 175.22 172.79 1q8l n PRO 73 N 4.14 0.73 -4.54 0.24 -0.02 -1.26 -3.07 135.00 131.22 1q8l n PRO 73 Ca 0.04 0.26 -0.28 0.00 -2.02 0.00 0.00 63.50 61.49 1q8l n PRO 73 Cb 0.42 -1.56 -0.17 0.00 -0.02 0.00 0.00 33.50 32.16 1q8l n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q8l s ALA 74 N -0.65 1.69 -0.93 3.55 0.00 -1.26 -1.21 121.76 122.95 1q8l s ALA 74 Ca 0.68 -0.72 -0.21 0.00 0.00 0.00 0.00 51.96 51.71 1q8l s ALA 74 Cb -0.88 -0.80 0.09 0.00 0.00 0.00 0.00 23.12 21.53 1q8l s ALA 74 CO 0.56 -0.02 1.24 -0.06 0.00 0.00 0.00 175.76 177.48 1q8l s PHE 75 N 0.89 2.83 0.60 0.00 0.40 0.95 -4.87 117.98 118.78 1q8l s PHE 75 Ca -0.09 -1.07 -0.19 0.00 -0.60 0.00 0.00 56.93 54.99 1q8l s PHE 75 Cb -0.15 -4.45 -0.03 0.00 0.51 0.00 0.00 43.02 38.89 1q8l s PHE 75 CO -0.00 -1.69 1.26 0.08 0.70 0.00 0.00 175.22 175.57 1q8l s VAL 76 N 3.77 2.33 0.00 -0.44 1.01 -1.26 -1.79 120.40 124.03 1q8l s VAL 76 Ca 0.37 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1q8l s VAL 76 Cb -0.04 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1q8l s VAL 76 CO -0.07 -0.04 0.00 2.29 0.00 0.00 0.00 175.10 177.28 1q8l n LYS 77 N -1.56 0.00 0.00 2.72 0.00 -0.66 -4.64 118.16 114.03 1q8l n LYS 77 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1q8l n LYS 77 Cb 0.48 -0.24 0.00 0.00 -0.00 0.00 0.00 35.03 35.27 1q8l n LYS 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1q8l n LYS 78 N 0.00 0.00 -4.32 -1.58 4.81 -1.26 -4.60 118.16 111.21 1q8l n LYS 78 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 1q8l n LYS 78 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 1q8l n LYS 78 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1q8l s GLN 79 N 0.00 1.27 0.32 1.64 -2.07 -1.26 -5.13 119.66 114.43 1q8l s GLN 79 Ca 0.00 -1.60 -0.29 0.00 -1.82 0.00 0.00 55.36 51.65 1q8l s GLN 79 Cb 0.00 -0.74 -0.10 0.00 -1.09 0.00 0.00 33.01 31.08 1q8l s GLN 79 CO 0.00 0.01 1.41 -1.25 -1.32 0.00 0.00 175.29 174.13 1q8l s PRO 80 N -3.78 4.25 0.03 9.60 0.04 -1.26 -5.05 135.00 138.83 1q8l s PRO 80 Ca 0.24 2.36 0.06 0.00 0.04 0.00 0.00 61.00 63.69 1q8l s PRO 80 Cb 0.04 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 1q8l s PRO 80 CO 0.06 -0.37 -0.16 0.15 0.04 0.00 0.00 177.00 176.72 1q8l s LYS 81 N -1.47 1.13 0.07 4.56 1.02 -1.26 -5.07 119.74 118.72 1q8l s LYS 81 Ca 0.53 -0.79 -0.35 0.00 0.02 0.00 0.00 55.97 55.38 1q8l s LYS 81 Cb -0.43 -1.17 -0.19 0.00 -0.52 0.00 0.00 37.83 35.53 1q8l s LYS 81 CO 0.53 0.30 1.59 -0.92 -0.92 0.00 0.00 175.35 175.93 1q8l h TYR 82 N 5.04 -1.13 -1.03 3.18 3.20 -2.06 -3.40 116.97 120.76 1q8l h TYR 82 Ca -0.39 -0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.20 1q8l h TYR 82 Cb 1.17 0.40 -0.21 0.00 1.54 0.00 0.00 36.73 39.63 1q8l h TYR 82 CO 0.50 -0.65 -0.61 -0.11 -1.64 0.00 0.00 178.16 175.65 1q8l n LEU 83 N -5.57 -2.60 0.00 2.82 7.94 -1.26 -5.35 117.00 112.98 1q8l n LEU 83 Ca -0.14 -3.37 0.00 0.00 -1.11 0.00 0.00 56.01 51.38 1q8l n LEU 83 Cb 0.45 0.74 0.00 0.00 0.53 0.00 0.00 43.42 45.14 1q8l n LEU 83 CO 0.36 1.95 0.01 0.29 -1.11 0.00 0.00 177.39 178.89