#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 -3.87 1.61 7.64 -1.26 -3.00 113.62 114.74 1q8l n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1q8l n SER 2 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1q8l n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1q8l n MET 3 N 0.00 3.72 -1.82 1.43 2.00 -1.26 -4.93 117.12 116.27 1q8l n MET 3 Ca 0.00 -3.62 -0.20 0.00 0.00 0.00 0.00 57.70 53.87 1q8l n MET 3 Cb 0.00 -2.88 -0.06 0.00 0.00 0.00 0.00 33.22 30.28 1q8l n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1q8l s ALA 4 N 0.04 1.18 -0.45 3.04 0.00 -1.16 -4.76 121.76 119.65 1q8l s ALA 4 Ca 0.39 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 51.20 1q8l s ALA 4 Cb 0.09 -4.58 0.23 0.00 0.00 0.00 0.00 23.12 18.87 1q8l s ALA 4 CO 0.01 -5.42 0.53 1.04 0.00 0.00 0.00 175.76 171.92 1q8l n GLN 5 N 8.79 0.98 -4.31 0.00 6.02 -1.26 -4.97 117.38 122.63 1q8l n GLN 5 Ca 0.43 -3.52 -0.25 0.00 -0.01 0.00 0.00 57.00 53.66 1q8l n GLN 5 Cb 0.45 -1.51 -0.13 0.00 1.02 0.00 0.00 30.24 30.07 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q8l s ALA 6 N -1.21 1.94 0.00 -1.58 0.00 -1.26 -4.75 121.76 114.90 1q8l s ALA 6 Ca 0.35 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1q8l s ALA 6 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1q8l s ALA 6 CO -0.11 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1q8l n GLY 7 N 1.00 2.05 3.61 0.00 0.00 -1.26 -4.98 105.19 105.62 1q8l n GLY 7 Ca -0.19 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 0.03 -0.19 1.61 4.04 -1.26 -4.70 118.70 118.23 1q8l s GLU 8 Ca 0.00 0.70 -0.05 0.00 0.04 0.00 0.00 54.97 55.65 1q8l s GLU 8 Cb 0.00 -1.68 -0.03 0.00 0.02 0.00 0.00 34.13 32.45 1q8l s GLU 8 CO 0.00 -3.05 0.01 0.14 -1.84 0.00 0.00 175.26 170.52 1q8l s VAL 9 N -2.77 4.10 -0.89 1.83 -7.23 -0.15 -4.95 120.40 110.34 1q8l s VAL 9 Ca 0.66 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 1q8l s VAL 9 Cb -0.21 -2.85 0.34 0.00 0.56 0.00 0.00 36.38 34.22 1q8l s VAL 9 CO 0.60 0.44 1.70 1.33 -0.31 0.00 0.00 175.10 178.86 1q8l n VAL 10 N 4.06 4.86 -1.94 1.32 0.24 -1.26 -2.18 118.33 123.43 1q8l n VAL 10 Ca -0.17 -5.48 -0.41 0.00 -2.04 0.00 0.00 64.34 56.24 1q8l n VAL 10 Cb 0.52 -1.44 -0.02 0.00 -1.47 0.00 0.00 33.84 31.43 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 -4.10 4.37 -0.09 1.34 1.43 -1.25 -4.73 118.68 115.66 1q8l s LEU 11 Ca 0.44 2.76 -0.03 0.00 -1.03 0.00 0.00 54.13 56.27 1q8l s LEU 11 Cb 0.27 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 1q8l s LEU 11 CO -0.20 -0.76 0.04 -0.75 0.23 0.00 0.00 176.35 174.90 1q8l s LYS 12 N -0.50 3.10 -0.02 1.70 2.20 -0.85 -3.80 119.74 121.57 1q8l s LYS 12 Ca 0.60 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1q8l s LYS 12 Cb -0.44 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.01 1q8l s LYS 12 CO 0.45 0.72 0.01 -1.64 -0.36 0.00 0.00 175.35 174.54 1q8l s MET 13 N -0.93 0.08 -0.43 4.03 -1.94 0.37 -0.56 119.30 119.93 1q8l s MET 13 Ca 0.14 0.12 0.03 0.00 -1.71 0.00 0.00 55.69 54.27 1q8l s MET 13 Cb -0.11 -0.29 0.12 0.00 2.01 0.00 0.00 34.83 36.55 1q8l s MET 13 CO 0.03 -0.13 0.16 0.21 -0.01 0.00 0.00 175.02 175.28 1q8l s LYS 14 N 0.89 1.77 1.07 2.03 2.20 -0.71 -0.73 119.74 126.25 1q8l s LYS 14 Ca -0.08 -2.19 -0.13 0.00 -0.36 0.00 0.00 55.97 53.21 1q8l s LYS 14 Cb -0.11 -3.31 0.23 0.00 -1.51 0.00 0.00 37.83 33.13 1q8l s LYS 14 CO -0.02 -1.03 1.08 0.08 -0.36 0.00 0.00 175.35 175.10 1q8l s VAL 15 N 0.43 1.96 -0.32 4.02 1.01 -1.01 -1.21 120.40 125.28 1q8l s VAL 15 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.95 1q8l s VAL 15 Cb -0.22 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1q8l s VAL 15 CO -0.05 0.00 0.41 -0.70 0.00 0.00 0.00 175.10 174.77 1q8l s GLU 16 N -4.88 3.71 -0.00 2.72 2.12 -0.47 -4.53 118.70 117.36 1q8l s GLU 16 Ca 0.67 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1q8l s GLU 16 Cb -0.19 -3.76 0.02 0.00 0.26 0.00 0.00 34.13 30.45 1q8l s GLU 16 CO 0.59 -0.49 0.56 0.41 -0.54 0.00 0.00 175.26 175.79 1q8l n GLY 17 N 4.82 1.36 2.74 -1.50 0.00 -1.26 -4.79 105.19 106.57 1q8l n GLY 17 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.02 0.00 -3.15 1.61 1.56 -1.26 -4.28 117.12 111.58 1q8l n MET 18 Ca 0.01 0.00 0.06 0.00 -0.27 0.00 0.00 57.70 57.49 1q8l n MET 18 Cb 0.25 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.62 1q8l n MET 18 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1q8l s THR 19 N 0.00 -0.09 -0.02 1.12 -1.32 -1.26 -5.08 115.64 108.99 1q8l s THR 19 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1q8l s THR 19 Cb 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 1q8l s THR 19 CO 0.00 0.00 0.04 0.00 -2.21 0.00 0.00 174.62 172.45 1q8l s HIS 21 N -0.33 -0.38 -0.06 0.00 5.04 -1.26 -5.12 115.29 113.17 1q8l s HIS 21 Ca 0.02 0.14 -0.29 0.00 -1.54 0.00 0.00 55.06 53.39 1q8l s HIS 21 Cb -0.00 0.59 -0.07 0.00 0.04 0.00 0.00 32.58 33.14 1q8l s HIS 21 CO 0.05 -0.83 1.87 -1.12 -2.34 0.00 0.00 174.74 172.37 1q8l s SER 22 N -2.73 6.34 0.08 9.88 0.01 -1.26 -4.56 113.70 121.47 1q8l s SER 22 Ca 0.05 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.60 1q8l s SER 22 Cb -0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1q8l s SER 22 CO -0.07 -1.19 0.00 0.00 0.41 0.00 0.00 173.24 172.39 1q8l h THR 24 N 0.00 0.00 -0.93 0.00 1.35 -1.99 -2.78 112.91 108.56 1q8l h THR 24 Ca 0.00 -0.18 0.07 0.00 -0.55 0.00 0.00 66.41 65.75 1q8l h THR 24 Cb 0.00 0.87 -0.06 0.00 -1.73 0.00 0.00 68.15 67.23 1q8l h THR 24 CO 0.00 0.00 0.60 0.77 -0.25 0.00 0.00 175.52 176.64 1q8l h SER 25 N 0.00 0.92 0.64 5.36 4.64 -1.92 0.04 113.55 123.23 1q8l h SER 25 Ca 0.00 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.06 1q8l h SER 25 Cb 0.25 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1q8l h SER 25 CO 0.00 0.58 -1.37 0.71 -0.87 0.00 0.00 176.83 175.88 1q8l h THR 26 N 1.04 1.32 -0.00 2.95 1.35 -1.90 -3.30 112.91 114.36 1q8l h THR 26 Ca 0.41 -3.00 -0.04 0.00 -0.55 0.00 0.00 66.41 63.23 1q8l h THR 26 Cb 0.23 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 1q8l h THR 26 CO -0.16 0.82 -0.18 0.40 -0.25 0.00 0.00 175.52 176.16 1q8l h ILE 27 N 0.04 1.13 0.16 6.82 2.04 -1.25 -0.69 117.51 125.76 1q8l h ILE 27 Ca -0.17 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1q8l h ILE 27 Cb 1.94 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1q8l h ILE 27 CO 0.15 0.17 -0.11 -0.08 0.00 0.00 0.00 178.15 178.28 1q8l h GLU 28 N 0.00 -0.25 0.00 2.37 4.81 -1.10 -1.47 114.58 118.93 1q8l h GLU 28 Ca -0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1q8l h GLU 28 Cb 0.31 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1q8l h GLU 28 CO 0.02 -0.17 -0.08 0.78 -0.73 0.00 0.00 179.01 178.83 1q8l h GLY 29 N -0.26 0.00 0.27 1.92 0.00 -1.70 -2.08 103.07 101.22 1q8l h GLY 29 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1q8l h GLY 29 CO 0.01 0.00 -0.04 1.70 0.00 0.00 0.00 176.54 178.21 1q8l h LYS 30 N 0.00 -0.10 0.00 4.80 1.63 -1.11 -2.28 116.57 119.51 1q8l h LYS 30 Ca -0.00 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 1q8l h LYS 30 Cb 0.70 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1q8l h LYS 30 CO 0.01 0.46 -0.29 0.82 -3.45 0.00 0.00 179.45 177.00 1q8l h ILE 31 N -0.83 0.99 0.00 2.00 1.08 -1.32 -2.38 117.51 117.05 1q8l h ILE 31 Ca -0.01 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1q8l h ILE 31 Cb 0.60 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1q8l h ILE 31 CO 0.02 0.29 0.00 1.23 -0.69 0.00 0.00 178.15 178.99 1q8l h GLY 32 N 1.20 0.00 -1.40 5.37 0.00 -1.40 -3.16 103.07 103.68 1q8l h GLY 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q8l h GLY 32 CO 0.04 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.75 1q8l n LYS 33 N -2.49 2.07 -2.12 4.80 3.00 -0.86 -4.92 118.16 117.64 1q8l n LYS 33 Ca 0.05 -1.58 -0.43 0.00 -0.00 0.00 0.00 58.31 56.35 1q8l n LYS 33 Cb 0.45 -1.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.99 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 -1.80 4.07 0.50 3.14 1.43 -1.20 -4.97 118.68 119.85 1q8l s LEU 34 Ca 0.34 1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 55.05 1q8l s LEU 34 Cb 0.20 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.83 1q8l s LEU 34 CO 0.31 -1.08 1.28 0.00 0.23 0.00 0.00 176.35 177.08 1q8l s GLN 35 N 4.31 3.48 0.00 1.70 0.00 -1.26 -3.07 119.66 124.82 1q8l s GLN 35 Ca 0.70 2.04 0.00 0.00 -0.00 0.00 0.00 55.36 58.10 1q8l s GLN 35 Cb -0.27 -2.37 0.00 0.00 0.00 0.00 0.00 33.01 30.37 1q8l s GLN 35 CO 0.27 -0.86 0.00 0.41 0.00 0.00 0.00 175.29 175.11 1q8l n GLY 36 N 0.60 0.65 3.72 2.60 0.00 -1.26 -4.33 105.19 107.16 1q8l n GLY 36 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.36 4.79 0.00 1.61 1.01 -1.17 -1.39 120.40 122.88 1q8l s VAL 37 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 61.98 63.83 1q8l s VAL 37 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1q8l s VAL 37 CO 0.00 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.36 1q8l n GLN 38 N 3.39 0.00 -3.23 2.72 1.13 0.13 -4.92 117.38 116.60 1q8l n GLN 38 Ca 0.02 0.05 -0.20 0.00 -1.94 0.00 0.00 57.00 54.93 1q8l n GLN 38 Cb 0.50 -0.31 0.00 0.00 0.11 0.00 0.00 30.24 30.55 1q8l n GLN 38 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1q8l s ARG 39 N -0.36 3.03 -0.23 -1.09 6.06 -1.13 -4.95 118.95 120.28 1q8l s ARG 39 Ca 0.00 -0.88 -0.14 0.00 -2.50 0.00 0.00 55.73 52.22 1q8l s ARG 39 Cb 0.00 -2.72 0.07 0.00 0.06 0.00 0.00 34.95 32.36 1q8l s ARG 39 CO 0.00 -0.12 0.56 -1.50 -2.50 0.00 0.00 175.30 171.74 1q8l s ILE 40 N -2.34 -0.01 -0.47 4.11 2.07 -1.26 -1.57 121.20 121.73 1q8l s ILE 40 Ca 0.48 0.04 0.07 0.00 -1.41 0.00 0.00 60.65 59.82 1q8l s ILE 40 Cb -0.10 -0.81 0.18 0.00 0.13 0.00 0.00 42.46 41.86 1q8l s ILE 40 CO 0.34 0.02 0.65 -1.59 -1.91 0.00 0.00 174.94 172.44 1q8l s LYS 41 N 1.34 0.95 -0.24 3.50 0.00 -1.26 -4.98 119.74 119.05 1q8l s LYS 41 Ca -0.08 -0.84 -0.27 0.00 0.00 0.00 0.00 55.97 54.77 1q8l s LYS 41 Cb -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 37.83 37.64 1q8l s LYS 41 CO -0.14 -1.28 0.94 0.08 0.00 0.00 0.00 175.35 174.95 1q8l s VAL 42 N 1.19 4.75 0.36 1.79 1.01 -1.26 -2.62 120.40 125.62 1q8l s VAL 42 Ca 0.24 1.80 -0.04 0.00 0.00 0.00 0.00 61.98 63.98 1q8l s VAL 42 Cb -0.02 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1q8l s VAL 42 CO -0.06 -0.14 0.63 -0.55 0.00 0.00 0.00 175.10 174.97 1q8l s SER 43 N 1.28 6.38 0.00 3.32 0.15 -0.80 -4.94 113.70 119.09 1q8l s SER 43 Ca 0.40 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1q8l s SER 43 Cb -0.15 -2.16 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1q8l s SER 43 CO 0.07 -0.33 0.00 -0.11 1.20 0.00 0.00 173.24 174.07 1q8l n LEU 44 N -1.48 0.00 0.00 3.45 0.00 -1.26 -2.65 117.00 115.06 1q8l n LEU 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.00 1q8l n LEU 44 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.97 1q8l n LEU 44 CO 0.49 0.00 0.00 -0.90 0.00 0.00 0.00 177.39 176.98 1q8l n ASP 45 N 0.00 0.00 -3.20 1.96 5.68 -1.26 0.40 116.55 120.13 1q8l n ASP 45 Ca 0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.90 1q8l n ASP 45 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1q8l n ASP 45 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1q8l n ASN 46 N 1.51 7.03 -3.84 -1.12 3.02 -1.26 -4.77 115.26 115.83 1q8l n ASN 46 Ca 0.00 -3.76 -0.31 0.00 -0.03 0.00 0.00 54.58 50.48 1q8l n ASN 46 Cb 0.00 -1.03 0.01 0.00 -0.61 0.00 0.00 39.78 38.15 1q8l n ASN 46 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1q8l n GLN 47 N -0.31 -1.09 -2.73 3.52 -0.06 0.16 -2.39 117.38 114.48 1q8l n GLN 47 Ca 0.48 0.55 -0.43 0.00 -2.00 0.00 0.00 57.00 55.61 1q8l n GLN 47 Cb 0.29 -2.64 -0.02 0.00 -4.06 0.00 0.00 30.24 23.80 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 -5.73 3.68 0.01 3.69 2.12 -1.08 -2.95 118.70 118.44 1q8l s GLU 48 Ca 0.19 -1.58 -0.30 0.00 0.36 0.00 0.00 54.97 53.63 1q8l s GLU 48 Cb -0.10 -5.19 -0.05 0.00 0.26 0.00 0.00 34.13 29.05 1q8l s GLU 48 CO 0.91 -2.01 1.23 0.00 -0.54 0.00 0.00 175.26 174.85 1q8l s ALA 49 N 3.75 3.46 -0.38 6.30 0.00 0.09 -1.91 121.76 133.06 1q8l s ALA 49 Ca 0.42 0.77 0.11 0.00 0.00 0.00 0.00 51.96 53.26 1q8l s ALA 49 Cb -0.02 -3.49 0.44 0.00 0.00 0.00 0.00 23.12 20.05 1q8l s ALA 49 CO -0.07 -0.62 1.03 2.41 0.00 0.00 0.00 175.76 178.51 1q8l n THR 50 N 4.28 1.72 -2.18 0.00 -1.04 -1.08 -0.47 114.28 115.50 1q8l n THR 50 Ca 0.10 -4.04 -0.37 0.00 -2.04 0.00 0.00 64.05 57.70 1q8l n THR 50 Cb 0.46 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 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 -4.39 2.95 0.02 12.58 1.09 -1.25 -4.21 121.20 127.99 1q8l s ILE 51 Ca 0.38 0.69 0.05 0.00 -1.10 0.00 0.00 60.65 60.67 1q8l s ILE 51 Cb 0.43 -3.33 -0.03 0.00 -1.06 0.00 0.00 42.46 38.46 1q8l s ILE 51 CO -0.08 -0.04 -0.13 -0.69 -0.10 0.00 0.00 174.94 173.90 1q8l s VAL 52 N -1.55 3.15 0.10 2.92 1.01 -0.61 -3.75 120.40 121.68 1q8l s VAL 52 Ca 0.67 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 1q8l s VAL 52 Cb -0.30 -2.34 0.05 0.00 0.00 0.00 0.00 36.38 33.80 1q8l s VAL 52 CO 0.35 0.38 0.50 -0.72 0.00 0.00 0.00 175.10 175.61 1q8l s TYR 53 N -0.94 -0.38 0.25 5.22 1.13 -0.93 -0.69 117.35 121.01 1q8l s TYR 53 Ca 0.15 0.24 -0.17 0.00 -1.41 0.00 0.00 57.07 55.88 1q8l s TYR 53 Cb -0.11 0.37 -0.08 0.00 -1.10 0.00 0.00 41.96 41.04 1q8l s TYR 53 CO 0.06 -0.71 0.71 1.14 -2.51 0.00 0.00 175.55 174.23 1q8l s GLN 54 N -3.23 4.14 0.79 -3.49 -2.07 -0.49 -0.97 119.66 114.34 1q8l s GLN 54 Ca -0.01 0.76 -0.14 0.00 -1.82 0.00 0.00 55.36 54.15 1q8l s GLN 54 Cb 0.00 -2.74 0.06 0.00 -1.09 0.00 0.00 33.01 29.24 1q8l s GLN 54 CO -0.08 0.33 1.13 -0.35 -1.32 0.00 0.00 175.29 175.00 1q8l n PRO 55 N 0.37 0.27 -0.26 9.60 -0.04 -1.26 -3.24 135.00 140.44 1q8l n PRO 55 Ca -0.01 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1q8l n PRO 55 Cb 0.52 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 -3.10 0.00 -0.04 0.54 1.44 -1.26 -4.72 115.22 108.08 1q8l n HIS 56 Ca 0.13 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.67 1q8l n HIS 56 Cb 0.50 -1.08 -0.07 0.00 0.12 0.00 0.00 29.99 29.46 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 0.00 0.94 -7.96 2.39 -0.00 -1.89 -3.47 115.31 105.32 1q8l h LEU 57 Ca 0.00 -0.61 0.05 0.00 -0.00 0.00 0.00 57.88 57.32 1q8l h LEU 57 Cb 0.00 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.35 1q8l h LEU 57 CO 0.00 1.39 0.30 -0.51 -0.00 0.00 0.00 178.44 179.62 1q8l s ILE 58 N -3.83 0.00 -0.19 1.22 1.10 -1.26 -4.88 121.20 113.36 1q8l s ILE 58 Ca -0.11 -0.94 -0.05 0.00 -0.51 0.00 0.00 60.65 59.05 1q8l s ILE 58 Cb 0.09 -2.44 0.07 0.00 0.15 0.00 0.00 42.46 40.32 1q8l s ILE 58 CO 0.90 0.00 0.09 -0.44 -2.11 0.00 0.00 174.94 173.38 1q8l s SER 59 N -3.02 2.60 0.60 4.50 0.01 -1.26 -4.98 113.70 112.15 1q8l s SER 59 Ca 0.14 -0.75 0.38 0.00 1.31 0.00 0.00 55.95 57.03 1q8l s SER 59 Cb -0.05 -0.31 1.79 0.00 0.21 0.00 0.00 66.02 67.66 1q8l s SER 59 CO 0.08 -0.36 2.14 0.58 0.41 0.00 0.00 173.24 176.09 1q8l h VAL 60 N 6.43 0.00 -0.38 3.43 2.07 -1.98 -1.56 116.25 124.26 1q8l h VAL 60 Ca -0.16 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 1q8l h VAL 60 Cb 1.13 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1q8l h VAL 60 CO 0.32 0.00 -0.21 -0.08 0.02 0.00 0.00 177.57 177.62 1q8l h GLU 61 N 0.00 0.73 -0.42 1.57 4.81 -1.97 0.17 114.58 119.48 1q8l h GLU 61 Ca 0.00 -0.29 -0.14 0.00 -0.13 0.00 0.00 59.36 58.80 1q8l h GLU 61 Cb 0.31 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1q8l h GLU 61 CO 0.00 0.89 -0.30 1.49 -0.73 0.00 0.00 179.01 180.35 1q8l h GLU 62 N 0.65 0.92 0.00 1.92 4.57 -1.72 0.64 114.58 121.56 1q8l h GLU 62 Ca 0.09 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.77 1q8l h GLU 62 Cb 0.71 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1q8l h GLU 62 CO 0.05 1.09 -0.30 0.52 -1.18 0.00 0.00 179.01 179.19 1q8l h MET 63 N 0.77 0.00 0.00 1.92 2.86 -1.21 -1.44 114.93 117.84 1q8l h MET 63 Ca 0.08 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1q8l h MET 63 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1q8l h MET 63 CO 0.08 0.30 -0.28 0.87 1.06 0.00 0.00 176.91 178.95 1q8l h LYS 64 N 0.00 0.00 -0.26 1.72 1.79 0.00 -3.20 116.57 116.62 1q8l h LYS 64 Ca -0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1q8l h LYS 64 Cb 0.55 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1q8l h LYS 64 CO 0.04 0.18 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.32 1q8l h LYS 65 N 0.00 0.41 -0.37 3.15 3.64 0.24 0.24 116.57 123.88 1q8l h LYS 65 Ca -0.01 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 1q8l h LYS 65 Cb 1.15 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1q8l h LYS 65 CO 0.02 0.47 -0.40 1.96 -2.27 0.00 0.00 179.45 179.23 1q8l h GLN 66 N 0.39 0.90 0.00 1.90 1.08 -1.54 0.41 115.11 118.25 1q8l h GLN 66 Ca 0.08 -0.48 -0.06 0.00 -1.45 0.00 0.00 58.65 56.74 1q8l h GLN 66 Cb 0.33 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1q8l h GLN 66 CO 0.01 1.13 -0.29 0.82 -0.95 0.00 0.00 178.83 179.55 1q8l h ILE 67 N 0.73 0.89 0.00 2.54 2.04 -1.38 -1.06 117.51 121.27 1q8l h ILE 67 Ca 0.06 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1q8l h ILE 67 Cb 0.99 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1q8l h ILE 67 CO 0.10 0.29 -0.88 -0.33 0.00 0.00 0.00 178.15 177.33 1q8l h GLU 68 N 0.00 0.00 0.15 2.37 5.08 -0.10 0.92 114.58 123.01 1q8l h GLU 68 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1q8l h GLU 68 Cb 0.66 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.93 1q8l h GLU 68 CO 0.04 0.07 -1.28 0.00 -1.00 0.00 0.00 179.01 176.83 1q8l h ALA 69 N 1.89 0.04 0.00 3.43 0.00 0.69 -3.19 119.26 122.11 1q8l h ALA 69 Ca -0.03 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1q8l h ALA 69 Cb 1.11 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1q8l h ALA 69 CO 0.01 0.84 0.00 0.00 0.00 0.00 0.00 179.25 180.10 1q8l n MET 70 N -3.64 0.10 0.00 0.00 0.00 -0.49 -4.88 117.12 108.21 1q8l n MET 70 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 57.70 57.80 1q8l n MET 70 Cb 1.02 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 32.60 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 0.68 0.70 3.26 3.17 0.00 -1.20 -5.10 105.19 106.70 1q8l n GLY 71 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.99 3.49 0.14 1.61 0.40 0.32 -4.97 117.98 117.98 1q8l s PHE 72 Ca 0.00 -1.89 -0.34 0.00 -0.60 0.00 0.00 56.93 54.10 1q8l s PHE 72 Cb 0.00 -3.64 -0.16 0.00 0.51 0.00 0.00 43.02 39.73 1q8l s PHE 72 CO 0.00 -0.98 1.14 -2.30 0.70 0.00 0.00 175.22 173.78 1q8l n PRO 73 N 4.47 0.94 -4.03 0.24 -0.02 -1.26 -3.10 135.00 132.24 1q8l n PRO 73 Ca 0.00 0.34 -0.31 0.00 -2.02 0.00 0.00 63.50 61.50 1q8l n PRO 73 Cb 0.42 -1.82 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.12 2.25 -1.16 3.55 0.00 -1.26 -1.37 121.76 123.65 1q8l s ALA 74 Ca 0.77 -1.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.05 1q8l s ALA 74 Cb -0.92 -1.43 0.04 0.00 0.00 0.00 0.00 23.12 20.81 1q8l s ALA 74 CO 0.52 -1.01 1.67 -0.06 0.00 0.00 0.00 175.76 176.88 1q8l s PHE 75 N 1.27 2.56 -0.88 0.00 0.08 -0.35 -4.81 117.98 115.84 1q8l s PHE 75 Ca -0.05 -1.02 -0.25 0.00 0.12 0.00 0.00 56.93 55.74 1q8l s PHE 75 Cb -0.18 -4.63 -0.00 0.00 -0.57 0.00 0.00 43.02 37.64 1q8l s PHE 75 CO -0.07 -1.80 1.68 0.08 -0.10 0.00 0.00 175.22 175.01 1q8l s VAL 76 N 5.47 3.63 -0.46 -0.44 1.01 -1.26 -1.74 120.40 126.61 1q8l s VAL 76 Ca 0.53 -0.33 0.26 0.00 0.00 0.00 0.00 61.98 62.44 1q8l s VAL 76 Cb 0.01 -4.48 0.30 0.00 0.00 0.00 0.00 36.38 32.22 1q8l s VAL 76 CO 0.01 -1.40 1.77 0.11 0.00 0.00 0.00 175.10 175.59 1q8l h LYS 77 N 11.12 0.00 0.00 2.72 1.57 -1.14 -3.48 116.57 127.36 1q8l h LYS 77 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1q8l h LYS 77 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1q8l h LYS 77 CO 1.30 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.81 1q8l n LYS 78 N -2.51 0.00 -0.13 3.15 5.02 -0.78 -2.98 118.16 119.93 1q8l n LYS 78 Ca 0.03 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 1q8l n LYS 78 Cb 0.35 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.25 1q8l n LYS 78 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1q8l n GLN 79 N 13.11 0.62 -2.96 1.97 1.13 -1.26 -2.01 117.38 127.98 1q8l n GLN 79 Ca 0.00 0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 54.86 1q8l n GLN 79 Cb 0.00 -1.52 -0.05 0.00 0.11 0.00 0.00 30.24 28.78 1q8l n GLN 79 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1q8l s PRO 80 N -2.51 3.76 -0.58 -1.09 0.05 -1.16 -4.98 135.00 128.49 1q8l s PRO 80 Ca -0.36 0.31 -0.26 0.00 0.05 0.00 0.00 61.00 60.74 1q8l s PRO 80 Cb 0.12 -3.81 -0.04 0.00 0.05 0.00 0.00 34.50 30.82 1q8l s PRO 80 CO 0.55 -0.84 2.09 0.15 0.05 0.00 0.00 177.00 179.01 1q8l s LYS 81 N 3.08 2.39 0.14 4.56 3.01 -1.26 -4.80 119.74 126.86 1q8l s LYS 81 Ca 0.31 0.89 -0.31 0.00 -1.01 0.00 0.00 55.97 55.84 1q8l s LYS 81 Cb -0.13 -4.50 -0.10 0.00 -1.01 0.00 0.00 37.83 32.10 1q8l s LYS 81 CO 0.17 -3.01 1.57 0.71 0.51 0.00 0.00 175.35 175.30 1q8l s TYR 82 N 10.47 2.96 -0.65 3.18 2.02 -1.26 -3.43 117.35 130.64 1q8l s TYR 82 Ca 0.80 0.59 -0.05 0.00 -0.37 0.00 0.00 57.07 58.04 1q8l s TYR 82 Cb -0.14 -3.92 0.01 0.00 -0.40 0.00 0.00 41.96 37.51 1q8l s TYR 82 CO 0.22 -3.43 0.67 -0.11 -1.57 0.00 0.00 175.55 171.32 1q8l n LEU 83 N 4.28 -6.97 0.00 -1.29 -0.00 -1.26 -5.03 117.00 106.72 1q8l n LEU 83 Ca 0.14 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 1q8l n LEU 83 Cb 0.39 -3.28 0.00 0.00 -0.00 0.00 0.00 43.42 40.53 1q8l n LEU 83 CO 0.61 -1.44 0.00 1.17 -0.00 0.00 0.00 177.39 177.74