#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8l s SER 2 N 0.00 0.08 0.63 1.61 0.01 -1.26 -5.13 113.70 109.64 1q8l s SER 2 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1q8l s SER 2 Cb 0.00 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.51 1q8l s SER 2 CO 0.00 -0.55 0.00 0.23 0.41 0.00 0.00 173.24 173.33 1q8l n MET 3 N 0.67 -1.33 0.13 12.44 0.00 -1.26 -5.00 117.12 122.78 1q8l n MET 3 Ca -0.19 0.88 0.00 0.00 0.00 0.00 0.00 57.70 58.39 1q8l n MET 3 Cb 0.59 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 32.19 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 -1.05 1.61 0.16 3.04 0.00 -1.26 -5.09 120.51 117.93 1q8l n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1q8l n ALA 4 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1q8l n ALA 4 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1q8l n GLN 5 N -3.17 0.00 -1.45 0.00 7.27 -1.26 -5.18 117.38 113.59 1q8l n GLN 5 Ca 0.00 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.26 1q8l n GLN 5 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q8l n ALA 6 N -3.26 -3.79 0.00 1.69 0.00 -1.26 -5.02 120.51 108.87 1q8l n ALA 6 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1q8l n ALA 6 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -4.27 0.00 0.32 0.00 0.00 -1.26 -5.16 105.19 94.82 1q8l n GLY 7 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 1q8l n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q8l n GLU 8 N 0.00 -0.47 -4.35 1.61 0.28 -1.26 -4.96 120.64 111.49 1q8l n GLU 8 Ca 0.00 0.32 -0.27 0.00 -0.16 0.00 0.00 57.16 57.05 1q8l n GLU 8 Cb 0.00 -0.66 -0.11 0.00 1.43 0.00 0.00 31.44 32.10 1q8l n GLU 8 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1q8l s VAL 9 N -1.61 2.75 -0.47 3.84 -7.23 -0.38 -4.97 120.40 112.33 1q8l s VAL 9 Ca 0.00 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 1q8l s VAL 9 Cb 0.00 -2.33 0.27 0.00 0.56 0.00 0.00 36.38 34.88 1q8l s VAL 9 CO 0.00 -0.08 0.64 1.33 -0.31 0.00 0.00 175.10 176.67 1q8l n VAL 10 N 0.25 0.45 -1.66 1.32 0.24 -1.26 -2.24 118.33 115.43 1q8l n VAL 10 Ca -0.12 -4.52 -0.43 0.00 -2.04 0.00 0.00 64.34 57.23 1q8l n VAL 10 Cb 0.55 -1.76 -0.03 0.00 -1.47 0.00 0.00 33.84 31.14 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 -1.84 3.44 -1.20 1.34 1.02 -1.19 -4.88 118.68 115.37 1q8l s LEU 11 Ca 0.38 1.75 -0.19 0.00 0.02 0.00 0.00 54.13 56.09 1q8l s LEU 11 Cb 0.19 -3.45 0.08 0.00 0.02 0.00 0.00 46.19 43.04 1q8l s LEU 11 CO -0.08 -1.99 1.60 -0.75 0.02 0.00 0.00 176.35 175.15 1q8l s LYS 12 N 6.39 3.89 -0.10 1.70 2.47 -1.26 -3.56 119.74 129.27 1q8l s LYS 12 Ca 0.97 -1.85 -0.29 0.00 -1.56 0.00 0.00 55.97 53.24 1q8l s LYS 12 Cb -0.30 -5.41 -0.01 0.00 -1.46 0.00 0.00 37.83 30.65 1q8l s LYS 12 CO 0.34 -2.16 1.00 1.41 0.16 0.00 0.00 175.35 176.10 1q8l s MET 13 N 4.00 4.42 -0.78 4.03 -2.45 0.15 -3.08 119.30 125.60 1q8l s MET 13 Ca 0.50 1.38 0.02 0.00 -1.25 0.00 0.00 55.69 56.34 1q8l s MET 13 Cb 0.02 -3.54 0.19 0.00 1.25 0.00 0.00 34.83 32.75 1q8l s MET 13 CO 0.02 -0.31 0.61 0.21 1.05 0.00 0.00 175.02 176.61 1q8l s LYS 14 N 1.98 2.80 0.97 4.11 2.36 -0.80 0.43 119.74 131.60 1q8l s LYS 14 Ca 0.48 -3.32 -0.12 0.00 -2.55 0.00 0.00 55.97 50.47 1q8l s LYS 14 Cb -0.18 -3.65 0.17 0.00 -1.05 0.00 0.00 37.83 33.12 1q8l s LYS 14 CO 0.18 -1.27 1.08 0.08 1.55 0.00 0.00 175.35 176.97 1q8l s VAL 15 N -1.40 2.37 -0.10 4.02 1.01 -1.11 -1.47 120.40 123.70 1q8l s VAL 15 Ca 0.26 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1q8l s VAL 15 Cb -0.06 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1q8l s VAL 15 CO -0.15 -0.16 -0.01 -0.70 0.00 0.00 0.00 175.10 174.09 1q8l s GLU 16 N -4.80 3.16 0.00 2.72 2.56 0.12 -4.36 118.70 118.11 1q8l s GLU 16 Ca 0.65 -0.44 0.00 0.00 0.00 0.00 0.00 54.97 55.18 1q8l s GLU 16 Cb -0.20 -2.82 0.00 0.00 2.00 0.00 0.00 34.13 33.10 1q8l s GLU 16 CO 0.59 0.58 0.55 0.41 -0.56 0.00 0.00 175.26 176.83 1q8l n GLY 17 N 2.52 -0.17 1.44 -1.50 0.00 -1.26 -4.67 105.19 101.55 1q8l n GLY 17 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.30 -3.90 0.26 1.61 1.56 -1.26 -2.93 117.12 112.16 1q8l n MET 18 Ca 0.00 2.98 -0.16 0.00 -0.27 0.00 0.00 57.70 60.25 1q8l n MET 18 Cb 0.05 -3.59 -0.08 0.00 2.15 0.00 0.00 33.22 31.75 1q8l n MET 18 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 1q8l h THR 19 N 0.64 0.54 0.00 1.12 1.35 -1.93 -3.38 112.91 111.26 1q8l h THR 19 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1q8l h THR 19 Cb 0.56 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1q8l h THR 19 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1q8l s HIS 21 N -0.81 -0.31 0.75 0.00 0.09 -1.26 -5.17 115.29 108.58 1q8l s HIS 21 Ca 0.00 0.62 -0.12 0.00 -0.00 0.00 0.00 55.06 55.56 1q8l s HIS 21 Cb 0.00 0.14 0.04 0.00 -0.00 0.00 0.00 32.58 32.76 1q8l s HIS 21 CO 0.00 -0.35 1.12 -1.54 -0.00 0.00 0.00 174.74 173.97 1q8l s SER 22 N -0.79 5.04 -0.25 1.40 1.04 -1.15 -4.75 113.70 114.23 1q8l s SER 22 Ca -0.09 1.07 0.13 0.00 0.48 0.00 0.00 55.95 57.55 1q8l s SER 22 Cb -0.04 -1.79 0.37 0.00 0.10 0.00 0.00 66.02 64.66 1q8l s SER 22 CO 0.04 -1.59 1.36 0.00 0.98 0.00 0.00 173.24 174.02 1q8l n THR 24 N -1.03 1.37 -0.08 0.00 -2.24 -1.26 -2.44 114.28 108.60 1q8l n THR 24 Ca -0.14 0.34 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1q8l n THR 24 Cb 0.85 -1.27 0.41 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.53 -0.28 3.42 4.64 -2.01 -0.80 113.55 119.04 1q8l h SER 25 Ca 0.00 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1q8l h SER 25 Cb 0.06 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1q8l h SER 25 CO 0.00 0.36 -0.51 0.71 -0.87 0.00 0.00 176.83 176.52 1q8l h THR 26 N 0.61 1.28 -0.54 2.95 1.35 -1.93 -3.07 112.91 113.55 1q8l h THR 26 Ca 0.23 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 1q8l h THR 26 Cb 0.15 1.65 -0.03 0.00 -1.73 0.00 0.00 68.15 68.19 1q8l h THR 26 CO -0.06 0.55 0.31 0.40 -0.25 0.00 0.00 175.52 176.47 1q8l h ILE 27 N 0.62 1.16 0.20 6.82 2.04 -1.36 -1.39 117.51 125.60 1q8l h ILE 27 Ca 0.02 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1q8l h ILE 27 Cb 1.12 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1q8l h ILE 27 CO 0.12 0.18 -0.21 -0.08 0.00 0.00 0.00 178.15 178.15 1q8l h GLU 28 N 0.75 -0.40 0.00 2.37 4.81 -1.17 -1.15 114.58 119.78 1q8l h GLU 28 Ca 0.20 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1q8l h GLU 28 Cb 0.00 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1q8l h GLU 28 CO -0.03 -0.27 -0.08 0.78 -0.73 0.00 0.00 179.01 178.68 1q8l h GLY 29 N -0.42 0.00 0.81 1.92 0.00 -1.58 -1.99 103.07 101.82 1q8l h GLY 29 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.21 1q8l h GLY 29 CO -0.03 0.00 -0.26 1.70 0.00 0.00 0.00 176.54 177.95 1q8l h LYS 30 N 0.00 0.47 -0.07 4.80 1.63 -0.99 -2.87 116.57 119.54 1q8l h LYS 30 Ca -0.00 -0.28 -0.16 0.00 -0.85 0.00 0.00 60.65 59.36 1q8l h LYS 30 Cb 0.34 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1q8l h LYS 30 CO 0.01 0.88 -0.65 0.82 -3.45 0.00 0.00 179.45 177.06 1q8l h ILE 31 N 0.10 1.39 0.00 2.00 2.04 -0.98 -2.88 117.51 119.19 1q8l h ILE 31 Ca 0.01 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.82 1q8l h ILE 31 Cb 0.84 2.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1q8l h ILE 31 CO 0.06 0.61 0.00 0.61 0.00 0.00 0.00 178.15 179.43 1q8l n GLY 32 N 0.38 -1.28 0.84 5.37 0.00 -0.77 -1.84 105.19 107.89 1q8l n GLY 32 Ca -0.03 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.23 2.12 -2.98 1.61 4.81 -1.09 -4.89 118.16 115.52 1q8l n LYS 33 Ca 0.02 -1.67 -0.42 0.00 -0.87 0.00 0.00 58.31 55.37 1q8l n LYS 33 Cb 0.23 -1.46 -0.05 0.00 0.02 0.00 0.00 35.03 33.77 1q8l n LYS 33 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1q8l s LEU 34 N -1.70 4.11 0.53 3.14 1.43 -0.77 -5.04 118.68 120.39 1q8l s LEU 34 Ca 0.34 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.78 1q8l s LEU 34 Cb 0.20 -3.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.34 1q8l s LEU 34 CO 0.30 -0.63 1.08 -1.10 0.23 0.00 0.00 176.35 176.24 1q8l s GLN 35 N 2.94 3.53 0.00 1.70 1.11 -1.26 -3.51 119.66 124.17 1q8l s GLN 35 Ca 0.31 1.47 0.00 0.00 0.01 0.00 0.00 55.36 57.14 1q8l s GLN 35 Cb -0.14 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 29.82 1q8l s GLN 35 CO 0.14 -0.68 0.00 0.41 0.01 0.00 0.00 175.29 175.17 1q8l n GLY 36 N -0.12 0.44 3.84 3.09 0.00 -1.26 -4.67 105.19 106.51 1q8l n GLY 36 Ca 0.10 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 5.46 0.00 1.61 1.01 -1.23 -2.22 120.40 123.03 1q8l s VAL 37 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1q8l s VAL 37 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1q8l s VAL 37 CO 0.00 0.57 0.00 0.00 0.00 0.00 0.00 175.10 175.67 1q8l n GLN 38 N 2.36 0.00 -3.46 2.72 3.00 -0.07 -4.95 117.38 116.99 1q8l n GLN 38 Ca -0.19 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.59 1q8l n GLN 38 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 30.24 30.64 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 0.00 3.25 -0.29 -1.09 6.06 -0.48 -4.95 118.95 121.45 1q8l s ARG 39 Ca 0.00 -0.70 -0.03 0.00 -2.50 0.00 0.00 55.73 52.51 1q8l s ARG 39 Cb 0.00 -2.74 0.17 0.00 0.06 0.00 0.00 34.95 32.44 1q8l s ARG 39 CO 0.00 0.09 0.57 -1.50 -2.50 0.00 0.00 175.30 171.96 1q8l s ILE 40 N -2.25 -0.93 -0.27 4.11 2.07 -1.26 -1.62 121.20 121.05 1q8l s ILE 40 Ca 0.42 -0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.41 1q8l s ILE 40 Cb -0.10 -0.96 0.08 0.00 0.13 0.00 0.00 42.46 41.61 1q8l s ILE 40 CO 0.33 -0.02 0.77 -1.59 -1.91 0.00 0.00 174.94 172.53 1q8l s LYS 41 N 2.81 0.78 0.22 3.50 0.00 -1.26 -5.02 119.74 120.78 1q8l s LYS 41 Ca 0.16 0.94 0.07 0.00 0.00 0.00 0.00 55.97 57.14 1q8l s LYS 41 Cb -0.15 0.38 -0.04 0.00 0.00 0.00 0.00 37.83 38.02 1q8l s LYS 41 CO -0.20 -0.09 0.11 0.08 0.00 0.00 0.00 175.35 175.25 1q8l s VAL 42 N 0.39 4.14 0.34 1.79 1.01 -1.26 -1.25 120.40 125.55 1q8l s VAL 42 Ca 0.00 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 60.58 1q8l s VAL 42 Cb -0.05 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1q8l s VAL 42 CO -0.01 -0.27 0.18 -0.55 0.00 0.00 0.00 175.10 174.46 1q8l s SER 43 N -3.51 1.91 0.00 3.32 0.15 0.43 -4.95 113.70 111.04 1q8l s SER 43 Ca 0.31 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1q8l s SER 43 Cb -0.08 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1q8l s SER 43 CO 0.23 -0.94 0.00 0.18 1.20 0.00 0.00 173.24 173.90 1q8l n LEU 44 N -0.68 0.00 -3.68 3.45 4.32 -1.26 -0.98 117.00 118.17 1q8l n LEU 44 Ca 0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1q8l n LEU 44 Cb 0.64 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.48 1q8l n LEU 44 CO 0.34 0.00 -0.08 0.47 -1.22 0.00 0.00 177.39 176.90 1q8l n ASP 45 N 0.00 -2.42 -2.93 -1.43 9.92 -1.26 -1.25 116.55 117.18 1q8l n ASP 45 Ca 0.00 -0.87 -0.09 0.00 -0.53 0.00 0.00 54.79 53.30 1q8l n ASP 45 Cb 0.00 -3.92 0.01 0.00 -0.64 0.00 0.00 41.12 36.57 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1q8l n ASN 46 N -2.99 -7.52 -4.00 -2.24 4.13 -1.26 -3.74 115.26 97.64 1q8l n ASN 46 Ca -0.24 0.73 -0.35 0.00 1.68 0.00 0.00 54.58 56.41 1q8l n ASN 46 Cb 0.66 -4.48 -0.00 0.00 -1.54 0.00 0.00 39.78 34.42 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 0.22 -0.49 -2.34 3.52 -0.06 -1.24 -2.77 117.38 114.23 1q8l n GLN 47 Ca 0.04 -0.04 -0.35 0.00 -2.00 0.00 0.00 57.00 54.64 1q8l n GLN 47 Cb 0.34 -1.93 -0.04 0.00 -4.06 0.00 0.00 30.24 24.55 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 -6.88 3.17 0.17 3.69 2.56 -0.15 -2.94 118.70 118.32 1q8l s GLU 48 Ca 0.31 -0.93 -0.23 0.00 0.00 0.00 0.00 54.97 54.12 1q8l s GLU 48 Cb -0.18 -5.27 -0.08 0.00 2.00 0.00 0.00 34.13 30.61 1q8l s GLU 48 CO 0.77 -2.79 0.74 0.00 -0.56 0.00 0.00 175.26 173.42 1q8l s ALA 49 N 7.24 3.45 -0.45 6.30 0.00 0.17 -0.43 121.76 138.05 1q8l s ALA 49 Ca 0.57 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1q8l s ALA 49 Cb -0.02 -2.88 0.24 0.00 0.00 0.00 0.00 23.12 20.46 1q8l s ALA 49 CO -0.03 0.31 0.56 2.41 0.00 0.00 0.00 175.76 179.01 1q8l n THR 50 N 1.35 -0.09 -2.45 0.00 -1.04 -0.38 0.30 114.28 111.98 1q8l n THR 50 Ca -0.05 -4.23 -0.41 0.00 -2.04 0.00 0.00 64.05 57.32 1q8l n THR 50 Cb 0.50 -1.97 -0.04 0.00 -1.82 0.00 0.00 70.33 66.99 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 -1.37 3.53 -0.08 12.58 1.09 -1.23 -4.19 121.20 131.52 1q8l s ILE 51 Ca 0.36 1.45 0.02 0.00 -1.10 0.00 0.00 60.65 61.38 1q8l s ILE 51 Cb 0.16 -3.92 -0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1q8l s ILE 51 CO -0.10 0.31 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.21 1q8l s VAL 52 N -0.80 2.96 0.20 2.92 1.01 -0.64 -3.16 120.40 122.88 1q8l s VAL 52 Ca 0.47 -0.73 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1q8l s VAL 52 Cb -0.32 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 33.92 1q8l s VAL 52 CO 0.40 0.56 0.86 -0.72 0.00 0.00 0.00 175.10 176.20 1q8l s TYR 53 N -0.27 -0.16 -0.24 5.22 1.13 -0.95 -0.89 117.35 121.18 1q8l s TYR 53 Ca 0.02 -0.20 -0.15 0.00 -1.41 0.00 0.00 57.07 55.32 1q8l s TYR 53 Cb -0.13 0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 1q8l s TYR 53 CO 0.03 -0.99 0.38 1.14 -2.51 0.00 0.00 175.55 173.60 1q8l s GLN 54 N -3.55 4.08 0.25 -3.49 -2.07 -0.94 -1.25 119.66 112.69 1q8l s GLN 54 Ca 0.11 0.10 0.01 0.00 -1.82 0.00 0.00 55.36 53.77 1q8l s GLN 54 Cb -0.03 -3.60 0.31 0.00 -1.09 0.00 0.00 33.01 28.59 1q8l s GLN 54 CO 0.04 -0.18 1.65 -1.00 -1.32 0.00 0.00 175.29 174.48 1q8l h PRO 55 N 7.83 0.49 -0.34 9.60 0.13 -1.88 -2.98 132.00 144.84 1q8l h PRO 55 Ca -0.33 -0.23 0.08 0.00 -0.87 0.00 0.00 66.00 64.65 1q8l h PRO 55 Cb 1.16 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1q8l h PRO 55 CO 0.68 0.78 0.24 1.12 -0.23 0.00 0.00 178.00 180.58 1q8l h HIS 56 N 0.41 0.08 -0.04 1.56 2.07 -1.96 -2.13 115.15 115.14 1q8l h HIS 56 Ca 0.04 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.51 1q8l h HIS 56 Cb 0.82 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.78 1q8l h HIS 56 CO 0.03 0.04 -0.20 1.25 -3.07 0.00 0.00 177.93 175.98 1q8l h LEU 57 N 0.08 0.25 -7.09 6.12 7.12 -1.87 -3.48 115.31 116.44 1q8l h LEU 57 Ca 0.16 -0.66 0.19 0.00 0.13 0.00 0.00 57.88 57.69 1q8l h LEU 57 Cb 0.52 -0.07 -0.15 0.00 -0.53 0.00 0.00 40.66 40.42 1q8l h LEU 57 CO -0.01 0.87 0.63 -0.51 -0.13 0.00 0.00 178.44 179.29 1q8l s ILE 58 N -3.58 0.00 -0.28 4.05 2.07 -0.80 -5.01 121.20 117.65 1q8l s ILE 58 Ca -0.15 -0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 58.96 1q8l s ILE 58 Cb 0.02 -1.19 0.02 0.00 0.13 0.00 0.00 42.46 41.44 1q8l s ILE 58 CO 0.74 0.00 0.00 -0.44 -1.91 0.00 0.00 174.94 173.33 1q8l s SER 59 N -2.47 4.71 0.21 4.50 0.01 -1.25 -4.22 113.70 115.20 1q8l s SER 59 Ca 0.08 -0.90 0.22 0.00 1.31 0.00 0.00 55.95 56.66 1q8l s SER 59 Cb -0.01 -1.75 0.92 0.00 0.21 0.00 0.00 66.02 65.39 1q8l s SER 59 CO -0.06 -0.18 1.66 0.52 0.41 0.00 0.00 173.24 175.59 1q8l n VAL 60 N 4.73 0.88 -0.28 3.43 0.31 -1.26 -2.28 118.33 123.86 1q8l n VAL 60 Ca -0.15 0.26 0.02 0.00 -0.01 0.00 0.00 64.34 64.46 1q8l n VAL 60 Cb 0.47 -1.17 0.23 0.00 -0.91 0.00 0.00 33.84 32.45 1q8l n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1q8l h GLU 61 N 0.00 1.04 -0.52 5.55 4.22 -1.99 0.28 114.58 123.16 1q8l h GLU 61 Ca 0.00 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.29 1q8l h GLU 61 Cb 0.32 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1q8l h GLU 61 CO 0.00 0.69 -0.02 1.49 -2.18 0.00 0.00 179.01 178.98 1q8l h GLU 62 N 1.07 0.93 0.00 1.92 4.81 -1.89 -1.72 114.58 119.70 1q8l h GLU 62 Ca 0.35 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1q8l h GLU 62 Cb 0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1q8l h GLU 62 CO -0.11 0.96 -0.18 0.52 -0.73 0.00 0.00 179.01 179.47 1q8l h MET 63 N 0.79 0.00 -0.00 1.92 2.86 -1.08 -1.86 114.93 117.57 1q8l h MET 63 Ca 0.14 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 1q8l h MET 63 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1q8l h MET 63 CO 0.03 0.18 -0.59 0.87 1.06 0.00 0.00 176.91 178.46 1q8l h LYS 64 N 0.00 0.00 -0.22 1.72 6.56 0.38 -2.59 116.57 122.41 1q8l h LYS 64 Ca -0.00 -0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1q8l h LYS 64 Cb 0.41 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1q8l h LYS 64 CO 0.02 0.59 -0.05 -0.22 -2.06 0.00 0.00 179.45 177.73 1q8l h LYS 65 N 0.00 0.34 -0.57 3.15 3.11 -1.01 -1.08 116.57 120.51 1q8l h LYS 65 Ca -0.01 -0.07 -0.11 0.00 -2.81 0.00 0.00 60.65 57.66 1q8l h LYS 65 Cb 1.04 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.20 1q8l h LYS 65 CO 0.08 0.41 -0.07 1.96 -2.81 0.00 0.00 179.45 179.02 1q8l h GLN 66 N 0.33 1.05 -0.13 1.90 1.08 -1.46 0.48 115.11 118.35 1q8l h GLN 66 Ca 0.07 -0.37 -0.06 0.00 -1.45 0.00 0.00 58.65 56.85 1q8l h GLN 66 Cb 0.30 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1q8l h GLN 66 CO 0.01 1.06 -0.18 0.82 -0.95 0.00 0.00 178.83 179.59 1q8l h ILE 67 N 0.94 1.20 0.00 2.54 2.04 -1.14 -1.36 117.51 121.73 1q8l h ILE 67 Ca 0.15 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1q8l h ILE 67 Cb 0.64 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1q8l h ILE 67 CO 0.04 0.28 -0.57 -0.33 0.00 0.00 0.00 178.15 177.58 1q8l h GLU 68 N 0.21 0.00 0.14 2.37 5.08 -0.66 -0.22 114.58 121.49 1q8l h GLU 68 Ca 0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.11 1q8l h GLU 68 Cb 0.45 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.72 1q8l h GLU 68 CO 0.03 0.00 -1.26 0.00 -1.00 0.00 0.00 179.01 176.78 1q8l h ALA 69 N 2.03 0.04 0.00 3.43 0.00 0.82 -3.18 119.26 122.40 1q8l h ALA 69 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1q8l h ALA 69 Cb 0.98 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1q8l h ALA 69 CO 0.00 0.79 0.00 0.00 0.00 0.00 0.00 179.25 180.04 1q8l n MET 70 N -3.69 0.10 0.00 0.00 0.00 -0.60 -4.88 117.12 108.05 1q8l n MET 70 Ca -0.12 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1q8l n MET 70 Cb 1.00 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 32.57 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 0.57 1.44 3.08 3.17 0.00 -1.20 -5.09 105.19 107.15 1q8l n GLY 71 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.40 0.10 1.61 0.40 -0.10 -4.69 117.98 116.70 1q8l s PHE 72 Ca 0.00 -2.76 -0.36 0.00 -0.60 0.00 0.00 56.93 53.21 1q8l s PHE 72 Cb 0.00 -3.15 -0.17 0.00 0.51 0.00 0.00 43.02 40.22 1q8l s PHE 72 CO 0.00 -0.84 1.25 -2.30 0.70 0.00 0.00 175.22 174.03 1q8l n PRO 73 N 3.53 0.99 -3.82 0.24 -0.02 -1.26 -3.12 135.00 131.52 1q8l n PRO 73 Ca 0.07 0.36 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 1q8l n PRO 73 Cb 0.37 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.24 1.72 -0.90 3.55 0.00 -1.26 0.11 121.76 125.22 1q8l s ALA 74 Ca 0.82 -1.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 1q8l s ALA 74 Cb -0.97 -1.53 0.09 0.00 0.00 0.00 0.00 23.12 20.71 1q8l s ALA 74 CO 0.49 -1.45 1.22 -0.06 0.00 0.00 0.00 175.76 175.97 1q8l s PHE 75 N 1.51 2.79 -1.33 0.00 0.08 -0.54 -4.79 117.98 115.70 1q8l s PHE 75 Ca 0.04 -0.98 -0.12 0.00 0.12 0.00 0.00 56.93 55.99 1q8l s PHE 75 Cb -0.18 -4.45 0.12 0.00 -0.57 0.00 0.00 43.02 37.94 1q8l s PHE 75 CO -0.15 -1.71 1.94 0.28 -0.10 0.00 0.00 175.22 175.48 1q8l n VAL 76 N 6.09 4.02 -3.54 -0.44 0.31 -1.26 -1.90 118.33 121.62 1q8l n VAL 76 Ca 0.21 -3.97 -0.39 0.00 -0.01 0.00 0.00 64.34 60.18 1q8l n VAL 76 Cb 0.49 -2.45 -0.04 0.00 -0.91 0.00 0.00 33.84 30.93 1q8l n VAL 76 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1q8l s LYS 77 N 1.68 3.58 -0.86 5.55 2.20 -1.18 -4.82 119.74 125.89 1q8l s LYS 77 Ca 0.43 -3.24 -0.25 0.00 -0.36 0.00 0.00 55.97 52.55 1q8l s LYS 77 Cb 0.09 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 1q8l s LYS 77 CO -0.02 -1.26 1.94 -1.59 -0.36 0.00 0.00 175.35 174.07 1q8l s LYS 78 N -1.29 2.55 -0.23 4.03 0.00 -1.26 -4.83 119.74 118.71 1q8l s LYS 78 Ca 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 55.97 56.05 1q8l s LYS 78 Cb -0.08 -4.97 0.08 0.00 0.00 0.00 0.00 37.83 32.85 1q8l s LYS 78 CO -0.11 -3.31 0.09 -1.14 0.00 0.00 0.00 175.35 170.88 1q8l s GLN 79 N 7.04 0.28 0.54 1.78 0.74 -1.26 -4.99 119.66 123.79 1q8l s GLN 79 Ca 0.70 -0.38 0.36 0.00 0.05 0.00 0.00 55.36 56.09 1q8l s GLN 79 Cb -0.08 -1.69 1.69 0.00 1.10 0.00 0.00 33.01 34.03 1q8l s GLN 79 CO 0.02 -0.80 2.07 -1.00 -0.55 0.00 0.00 175.29 175.02 1q8l h PRO 80 N 8.35 0.00 0.56 1.67 0.13 -1.94 -3.17 132.00 137.60 1q8l h PRO 80 Ca -0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 1q8l h PRO 80 Cb 1.09 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.22 1q8l h PRO 80 CO 0.36 0.00 -0.27 0.87 -0.23 0.00 0.00 178.00 178.73 1q8l h LYS 81 N 0.00 -0.72 -2.31 0.86 1.57 -1.98 -3.44 116.57 110.54 1q8l h LYS 81 Ca 0.00 0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.49 1q8l h LYS 81 Cb 0.28 0.16 -0.35 0.00 0.08 0.00 0.00 32.23 32.41 1q8l h LYS 81 CO 0.00 -0.42 -0.64 0.71 -0.57 0.00 0.00 179.45 178.53 1q8l s TYR 82 N -4.72 -0.35 0.00 -1.35 2.02 -1.20 -5.00 117.35 106.75 1q8l s TYR 82 Ca -0.14 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1q8l s TYR 82 Cb 0.02 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 1q8l s TYR 82 CO 0.47 -0.81 0.00 -0.11 -1.57 0.00 0.00 175.55 173.53 1q8l n LEU 83 N 5.31 0.00 0.00 -1.29 -0.00 -1.24 -4.80 117.00 114.98 1q8l n LEU 83 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1q8l n LEU 83 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 1q8l n LEU 83 CO 0.03 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.59