#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 -6.50 -0.94 1.61 2.88 -1.26 -4.50 113.62 104.91 1q8l n SER 2 Ca 0.00 1.28 0.01 0.00 -1.33 0.00 0.00 58.87 58.84 1q8l n SER 2 Cb 0.00 -4.75 -0.00 0.00 -0.75 0.00 0.00 64.21 58.71 1q8l n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1q8l n MET 3 N 1.02 -0.19 -2.19 -1.46 2.81 -1.26 -4.15 117.12 111.71 1q8l n MET 3 Ca -0.08 0.13 -0.31 0.00 -1.81 0.00 0.00 57.70 55.63 1q8l n MET 3 Cb 0.18 -0.23 -0.05 0.00 -0.71 0.00 0.00 33.22 32.42 1q8l n MET 3 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1q8l s ALA 4 N -1.93 1.98 -0.14 3.04 0.00 -1.26 -4.92 121.76 118.54 1q8l s ALA 4 Ca 0.00 -1.82 -0.29 0.00 0.00 0.00 0.00 51.96 49.85 1q8l s ALA 4 Cb 0.00 -4.57 -0.05 0.00 0.00 0.00 0.00 23.12 18.50 1q8l s ALA 4 CO 0.00 -4.54 1.86 -1.14 0.00 0.00 0.00 175.76 171.94 1q8l s GLN 5 N 6.37 3.75 0.00 0.00 0.74 -1.26 -4.59 119.66 124.66 1q8l s GLN 5 Ca 0.64 2.03 0.00 0.00 0.05 0.00 0.00 55.36 58.08 1q8l s GLN 5 Cb -0.04 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 29.92 1q8l s GLN 5 CO -0.01 -1.38 0.00 0.00 -0.55 0.00 0.00 175.29 173.35 1q8l n ALA 6 N 8.93 0.85 -1.00 1.58 0.00 -1.26 -5.07 120.51 124.54 1q8l n ALA 6 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1q8l n ALA 6 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.57 0.37 2.22 0.00 0.00 -1.26 -5.02 105.19 100.92 1q8l n GLY 7 Ca 0.00 0.00 0.01 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 -0.18 -3.71 1.61 0.28 -1.26 -4.94 120.64 112.45 1q8l n GLU 8 Ca 0.00 0.12 -0.17 0.00 -0.16 0.00 0.00 57.16 56.95 1q8l n GLU 8 Cb 0.00 -0.22 -0.16 0.00 1.43 0.00 0.00 31.44 32.49 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 -0.77 -0.13 -0.51 3.84 -7.23 0.29 -4.73 120.40 111.16 1q8l s VAL 9 Ca 0.00 0.32 -0.15 0.00 -1.81 0.00 0.00 61.98 60.33 1q8l s VAL 9 Cb 0.00 -0.20 0.11 0.00 0.56 0.00 0.00 36.38 36.85 1q8l s VAL 9 CO 0.00 0.13 0.45 0.68 -0.31 0.00 0.00 175.10 176.05 1q8l s VAL 10 N 1.78 5.12 -0.31 1.32 -7.23 -1.26 -2.24 120.40 117.58 1q8l s VAL 10 Ca -0.01 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1q8l s VAL 10 Cb -0.12 -4.21 -0.02 0.00 0.56 0.00 0.00 36.38 32.59 1q8l s VAL 10 CO -0.04 -0.76 0.18 -0.76 -0.31 0.00 0.00 175.10 173.41 1q8l s LEU 11 N 1.59 4.18 -0.40 1.32 1.02 -1.12 -5.03 118.68 120.24 1q8l s LEU 11 Ca 0.04 -0.35 -0.19 0.00 0.02 0.00 0.00 54.13 53.65 1q8l s LEU 11 Cb -0.28 -2.07 0.01 0.00 0.02 0.00 0.00 46.19 43.88 1q8l s LEU 11 CO 0.04 -0.16 0.54 -0.54 0.02 0.00 0.00 176.35 176.25 1q8l s LYS 12 N 1.69 3.36 0.01 1.70 3.01 -1.26 -3.09 119.74 125.16 1q8l s LYS 12 Ca 0.06 -0.39 0.05 0.00 -1.01 0.00 0.00 55.97 54.68 1q8l s LYS 12 Cb -0.17 -3.90 -0.03 0.00 -1.01 0.00 0.00 37.83 32.72 1q8l s LYS 12 CO 0.09 -0.83 -0.14 -1.64 0.51 0.00 0.00 175.35 173.33 1q8l s MET 13 N 2.49 2.30 -0.37 1.68 -1.94 0.25 -4.20 119.30 119.49 1q8l s MET 13 Ca 0.18 -0.85 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 1q8l s MET 13 Cb -0.15 -2.31 0.11 0.00 2.01 0.00 0.00 34.83 34.48 1q8l s MET 13 CO 0.15 0.57 0.09 0.21 -0.01 0.00 0.00 175.02 176.04 1q8l s LYS 14 N -1.28 1.57 0.97 2.03 2.20 -1.19 -1.07 119.74 122.96 1q8l s LYS 14 Ca 0.15 -2.02 -0.12 0.00 -0.36 0.00 0.00 55.97 53.61 1q8l s LYS 14 Cb -0.11 -3.22 0.17 0.00 -1.51 0.00 0.00 37.83 33.16 1q8l s LYS 14 CO 0.05 -0.97 1.10 0.08 -0.36 0.00 0.00 175.35 175.24 1q8l s VAL 15 N 0.67 2.19 -0.21 4.02 1.01 -0.93 -0.99 120.40 126.17 1q8l s VAL 15 Ca 0.12 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1q8l s VAL 15 Cb -0.20 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1q8l s VAL 15 CO -0.07 -0.08 0.09 -0.70 0.00 0.00 0.00 175.10 174.34 1q8l s GLU 16 N -5.01 3.96 0.00 2.72 2.12 0.28 -4.54 118.70 118.23 1q8l s GLU 16 Ca 0.65 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.63 1q8l s GLU 16 Cb -0.18 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.90 1q8l s GLU 16 CO 0.57 0.16 0.46 0.41 -0.54 0.00 0.00 175.26 176.31 1q8l n GLY 17 N 3.91 1.24 7.00 -1.50 0.00 -1.26 -4.73 105.19 109.84 1q8l n GLY 17 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.19 0.00 0.00 1.61 1.56 -1.26 -4.50 117.12 114.72 1q8l n MET 18 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1q8l n MET 18 Cb 0.23 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.60 1q8l n MET 18 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1q8l n THR 19 N 0.00 0.00 -0.06 1.12 5.66 -1.26 -4.97 114.28 114.77 1q8l n THR 19 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 1q8l n THR 19 Cb 0.00 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.65 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q8l s HIS 21 N -2.43 -0.41 -0.28 0.00 0.00 -1.26 -5.14 115.29 105.76 1q8l s HIS 21 Ca -0.18 0.58 -0.02 0.00 -3.00 0.00 0.00 55.06 52.44 1q8l s HIS 21 Cb -0.02 0.47 0.04 0.00 -4.00 0.00 0.00 32.58 29.07 1q8l s HIS 21 CO 0.70 -0.46 -0.02 -1.12 -1.00 0.00 0.00 174.74 172.84 1q8l s SER 22 N -1.57 4.71 -0.09 7.38 0.01 -1.26 -4.70 113.70 118.17 1q8l s SER 22 Ca -0.01 -1.10 0.03 0.00 1.31 0.00 0.00 55.95 56.18 1q8l s SER 22 Cb -0.01 -1.71 0.22 0.00 0.21 0.00 0.00 66.02 64.74 1q8l s SER 22 CO -0.01 -0.21 1.01 0.00 0.41 0.00 0.00 173.24 174.45 1q8l n THR 24 N 0.12 1.34 -0.20 0.00 -2.24 -1.26 -2.49 114.28 109.55 1q8l n THR 24 Ca 0.12 0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 62.31 1q8l n THR 24 Cb 0.64 -1.41 0.05 0.00 -2.10 0.00 0.00 70.33 67.51 1q8l n THR 24 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1q8l h SER 25 N 0.00 0.62 0.53 3.42 0.87 -2.00 -1.36 113.55 115.63 1q8l h SER 25 Ca 0.00 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1q8l h SER 25 Cb 0.11 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1q8l h SER 25 CO 0.00 0.44 -0.62 0.71 -0.53 0.00 0.00 176.83 176.82 1q8l h THR 26 N 0.74 1.43 -0.48 2.23 1.35 -1.87 -3.13 112.91 113.18 1q8l h THR 26 Ca 0.23 -2.09 -0.07 0.00 -0.55 0.00 0.00 66.41 63.92 1q8l h THR 26 Cb -0.02 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 1q8l h THR 26 CO -0.08 0.61 0.01 0.40 -0.25 0.00 0.00 175.52 176.20 1q8l h ILE 27 N 0.07 1.24 -0.14 6.82 2.04 -1.37 -1.48 117.51 124.69 1q8l h ILE 27 Ca -0.01 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.91 1q8l h ILE 27 Cb 1.12 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1q8l h ILE 27 CO 0.09 0.35 -0.12 -0.08 0.00 0.00 0.00 178.15 178.38 1q8l h GLU 28 N 0.74 -0.13 -0.26 2.37 4.22 -1.23 -0.33 114.58 119.97 1q8l h GLU 28 Ca 0.15 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.50 1q8l h GLU 28 Cb 0.44 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1q8l h GLU 28 CO 0.02 -0.09 -0.23 0.78 -2.18 0.00 0.00 179.01 177.31 1q8l h GLY 29 N -0.14 0.52 1.05 1.92 0.00 -1.60 -1.23 103.07 103.58 1q8l h GLY 29 Ca 0.09 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1q8l h GLY 29 CO -0.23 0.37 0.28 1.70 0.00 0.00 0.00 176.54 178.67 1q8l h LYS 30 N 0.43 1.16 -0.06 4.80 3.11 -0.59 -1.42 116.57 123.99 1q8l h LYS 30 Ca 0.07 -0.22 -0.14 0.00 -2.81 0.00 0.00 60.65 57.54 1q8l h LYS 30 Cb 0.63 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1q8l h LYS 30 CO 0.04 0.96 -0.59 0.82 -2.81 0.00 0.00 179.45 177.87 1q8l h ILE 31 N 1.11 1.39 0.00 2.00 2.04 -0.81 -2.71 117.51 120.52 1q8l h ILE 31 Ca 0.25 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1q8l h ILE 31 Cb 0.25 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1q8l h ILE 31 CO -0.02 0.57 0.00 0.61 0.00 0.00 0.00 178.15 179.32 1q8l n GLY 32 N 0.22 -1.41 0.82 5.37 0.00 -0.49 -2.40 105.19 107.29 1q8l n GLY 32 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.04 2.09 -2.81 1.61 3.00 -0.60 -4.90 118.16 114.51 1q8l n LYS 33 Ca 0.04 -1.63 -0.42 0.00 -0.00 0.00 0.00 58.31 56.30 1q8l n LYS 33 Cb 0.30 -1.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.84 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 -1.65 4.08 0.40 3.14 1.43 -1.01 -5.03 118.68 120.03 1q8l s LEU 34 Ca 0.35 1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 54.32 1q8l s LEU 34 Cb 0.20 -3.31 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 1q8l s LEU 34 CO 0.30 -0.60 0.96 -1.10 0.23 0.00 0.00 176.35 176.14 1q8l s GLN 35 N 3.02 4.28 0.00 1.70 1.11 -1.26 -3.57 119.66 124.94 1q8l s GLN 35 Ca 0.38 1.23 0.00 0.00 0.01 0.00 0.00 55.36 56.98 1q8l s GLN 35 Cb -0.15 -2.36 0.00 0.00 -1.01 0.00 0.00 33.01 29.49 1q8l s GLN 35 CO 0.08 0.01 0.00 0.41 0.01 0.00 0.00 175.29 175.80 1q8l n GLY 36 N -0.21 0.89 3.75 3.09 0.00 -1.26 -4.69 105.19 106.77 1q8l n GLY 36 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.37 4.37 0.00 1.61 1.01 -1.23 -1.33 120.40 121.45 1q8l s VAL 37 Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1q8l s VAL 37 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 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 1.99 0.00 -3.23 2.72 1.13 0.14 -4.89 117.38 115.23 1q8l n GLN 38 Ca -0.03 0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.86 1q8l n GLN 38 Cb 0.49 -0.20 0.00 0.00 0.11 0.00 0.00 30.24 30.64 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 -0.18 3.03 -0.24 -1.09 6.06 -1.04 -4.82 118.95 120.67 1q8l s ARG 39 Ca 0.00 -0.89 -0.03 0.00 -2.50 0.00 0.00 55.73 52.30 1q8l s ARG 39 Cb 0.00 -2.72 0.13 0.00 0.06 0.00 0.00 34.95 32.41 1q8l s ARG 39 CO 0.00 -0.12 0.38 -1.50 -2.50 0.00 0.00 175.30 171.56 1q8l s ILE 40 N -2.33 -0.61 -0.58 4.11 2.07 -1.26 -1.82 121.20 120.77 1q8l s ILE 40 Ca 0.48 -0.03 0.06 0.00 -1.41 0.00 0.00 60.65 59.75 1q8l s ILE 40 Cb -0.10 -0.79 0.26 0.00 0.13 0.00 0.00 42.46 41.96 1q8l s ILE 40 CO 0.34 -0.09 0.71 0.29 -1.91 0.00 0.00 174.94 174.27 1q8l n LYS 41 N 5.37 2.17 -2.73 3.50 5.02 -0.74 -4.99 118.16 125.76 1q8l n LYS 41 Ca -0.04 -4.37 -0.43 0.00 -2.02 0.00 0.00 58.31 51.45 1q8l n LYS 41 Cb 0.50 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1q8l n LYS 41 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1q8l s VAL 42 N -2.30 4.43 0.83 -0.18 1.01 -1.26 -1.79 120.40 121.15 1q8l s VAL 42 Ca 0.39 1.16 -0.08 0.00 0.00 0.00 0.00 61.98 63.45 1q8l s VAL 42 Cb 0.16 -4.45 0.16 0.00 0.00 0.00 0.00 36.38 32.25 1q8l s VAL 42 CO -0.04 -0.75 1.15 -0.55 0.00 0.00 0.00 175.10 174.92 1q8l s SER 43 N 2.12 3.81 0.13 3.32 0.15 -1.14 -4.95 113.70 117.14 1q8l s SER 43 Ca 0.42 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1q8l s SER 43 Cb -0.10 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1q8l s SER 43 CO 0.24 -2.25 0.00 0.18 1.20 0.00 0.00 173.24 172.61 1q8l n LEU 44 N -3.28 0.00 0.00 3.45 4.32 -1.26 -4.13 117.00 116.10 1q8l n LEU 44 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 1q8l n LEU 44 Cb 0.60 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1q8l n LEU 44 CO 0.45 -0.40 0.00 -0.67 -1.22 0.00 0.00 177.39 175.55 1q8l n ASP 45 N -2.40 0.00 -1.64 -1.43 2.03 -1.26 -0.69 116.55 111.15 1q8l n ASP 45 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 1q8l n ASP 45 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 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 8.88 3.87 -2.51 1.67 5.03 -1.26 -4.37 115.26 126.57 1q8l n ASN 46 Ca 0.00 -2.86 -0.23 0.00 0.87 0.00 0.00 54.58 52.36 1q8l n ASN 46 Cb 0.00 -0.68 0.02 0.00 -1.02 0.00 0.00 39.78 38.10 1q8l n ASN 46 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1q8l n GLN 47 N -0.10 -1.11 -2.36 3.52 7.27 0.13 -2.19 117.38 122.55 1q8l n GLN 47 Ca 0.30 0.84 -0.36 0.00 0.07 0.00 0.00 57.00 57.85 1q8l n GLN 47 Cb 1.10 -1.17 -0.04 0.00 2.41 0.00 0.00 30.24 32.54 1q8l n GLN 47 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1q8l s GLU 48 N -1.43 3.17 -0.34 3.69 2.12 -1.26 -2.86 118.70 121.79 1q8l s GLU 48 Ca 0.22 -0.76 -0.29 0.00 0.36 0.00 0.00 54.97 54.50 1q8l s GLU 48 Cb -0.02 -5.21 0.00 0.00 0.26 0.00 0.00 34.13 29.17 1q8l s GLU 48 CO 0.50 -2.66 1.33 0.00 -0.54 0.00 0.00 175.26 173.90 1q8l s ALA 49 N 6.99 3.26 -0.67 6.30 0.00 -0.23 -2.86 121.76 134.54 1q8l s ALA 49 Ca 0.55 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.58 1q8l s ALA 49 Cb -0.03 -3.83 0.18 0.00 0.00 0.00 0.00 23.12 19.45 1q8l s ALA 49 CO -0.05 -1.98 0.53 2.41 0.00 0.00 0.00 175.76 176.67 1q8l n THR 50 N 6.49 1.50 -3.29 0.00 -1.04 -0.74 -0.58 114.28 116.62 1q8l n THR 50 Ca 0.15 -4.80 -0.38 0.00 -2.04 0.00 0.00 64.05 56.97 1q8l n THR 50 Cb 0.47 -2.13 -0.06 0.00 -1.82 0.00 0.00 70.33 66.80 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 -1.53 4.92 -0.05 12.58 1.09 -1.18 -1.79 121.20 135.25 1q8l s ILE 51 Ca 0.28 1.13 0.03 0.00 -1.10 0.00 0.00 60.65 60.99 1q8l s ILE 51 Cb 0.00 -3.87 -0.03 0.00 -1.06 0.00 0.00 42.46 37.51 1q8l s ILE 51 CO -0.14 0.47 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.34 1q8l s VAL 52 N -0.48 3.14 0.17 2.92 1.01 -0.76 -2.79 120.40 123.61 1q8l s VAL 52 Ca 0.28 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1q8l s VAL 52 Cb -0.18 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1q8l s VAL 52 CO 0.16 0.59 0.47 -0.72 0.00 0.00 0.00 175.10 175.60 1q8l s TYR 53 N -0.74 -0.13 0.45 5.22 1.13 -0.95 -0.68 117.35 121.65 1q8l s TYR 53 Ca 0.12 -0.20 -0.24 0.00 -1.41 0.00 0.00 57.07 55.33 1q8l s TYR 53 Cb -0.11 0.32 -0.07 0.00 -1.10 0.00 0.00 41.96 41.00 1q8l s TYR 53 CO 0.01 -0.82 1.27 -0.65 -2.51 0.00 0.00 175.55 172.85 1q8l s GLN 54 N -3.85 3.72 0.00 -3.49 -0.21 -0.45 -0.55 119.66 114.83 1q8l s GLN 54 Ca 0.07 2.06 0.07 0.00 0.02 0.00 0.00 55.36 57.59 1q8l s GLN 54 Cb 0.00 -2.54 0.45 0.00 1.00 0.00 0.00 33.01 31.92 1q8l s GLN 54 CO -0.06 -0.67 1.11 -0.35 -2.12 0.00 0.00 175.29 173.20 1q8l n PRO 55 N -0.32 0.79 -0.48 2.91 -0.04 -1.26 -3.10 135.00 133.50 1q8l n PRO 55 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1q8l n PRO 55 Cb 0.45 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.65 0.00 -0.08 0.54 1.44 -1.26 -4.96 115.22 110.24 1q8l n HIS 56 Ca 0.06 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.58 1q8l n HIS 56 Cb 0.03 0.20 -0.12 0.00 0.12 0.00 0.00 29.99 30.22 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 0.03 -7.01 2.39 -0.00 -1.89 -3.49 115.31 105.33 1q8l h LEU 57 Ca 0.00 -0.71 0.10 0.00 -0.00 0.00 0.00 57.88 57.28 1q8l h LEU 57 Cb 1.06 -0.01 -0.15 0.00 -0.00 0.00 0.00 40.66 41.56 1q8l h LEU 57 CO 0.00 1.32 0.48 -0.51 -0.00 0.00 0.00 178.44 179.74 1q8l s ILE 58 N -2.32 0.00 -0.40 1.22 2.07 -1.26 -5.02 121.20 115.49 1q8l s ILE 58 Ca -0.25 -0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 58.83 1q8l s ILE 58 Cb 0.03 -1.01 0.02 0.00 0.13 0.00 0.00 42.46 41.62 1q8l s ILE 58 CO 0.64 0.00 0.34 -0.44 -1.91 0.00 0.00 174.94 173.57 1q8l s SER 59 N -2.50 6.14 0.45 4.50 0.01 -1.26 -4.91 113.70 116.12 1q8l s SER 59 Ca 0.05 -0.75 0.30 0.00 1.31 0.00 0.00 55.95 56.87 1q8l s SER 59 Cb -0.01 -2.18 1.26 0.00 0.21 0.00 0.00 66.02 65.30 1q8l s SER 59 CO -0.09 -0.46 1.90 0.58 0.41 0.00 0.00 173.24 175.57 1q8l h VAL 60 N 5.64 0.00 -0.19 3.43 2.07 -1.99 -2.45 116.25 122.75 1q8l h VAL 60 Ca -0.27 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1q8l h VAL 60 Cb 1.12 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1q8l h VAL 60 CO 0.74 0.00 -0.07 -0.08 0.02 0.00 0.00 177.57 178.17 1q8l h GLU 61 N 0.00 0.29 -0.55 1.57 4.81 -1.98 -1.25 114.58 117.48 1q8l h GLU 61 Ca 0.00 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 1q8l h GLU 61 Cb 0.44 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1q8l h GLU 61 CO 0.00 0.39 -0.08 1.49 -0.73 0.00 0.00 179.01 180.08 1q8l h GLU 62 N 0.28 1.02 -0.29 1.92 4.57 -1.86 -0.41 114.58 119.80 1q8l h GLU 62 Ca 0.06 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 1q8l h GLU 62 Cb 0.32 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1q8l h GLU 62 CO 0.02 1.05 -0.00 0.52 -1.18 0.00 0.00 179.01 179.41 1q8l h MET 63 N 0.90 0.45 0.00 1.92 2.86 -1.36 -1.31 114.93 118.38 1q8l h MET 63 Ca 0.15 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1q8l h MET 63 Cb 0.64 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1q8l h MET 63 CO 0.04 0.48 -0.16 0.87 1.06 0.00 0.00 176.91 179.20 1q8l h LYS 64 N 0.43 0.00 -0.01 1.72 6.56 -0.60 -2.97 116.57 121.70 1q8l h LYS 64 Ca 0.10 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.62 1q8l h LYS 64 Cb 0.30 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1q8l h LYS 64 CO 0.01 0.16 -0.31 -0.22 -2.06 0.00 0.00 179.45 177.03 1q8l h LYS 65 N 0.00 0.03 -0.40 3.15 3.64 0.11 -0.65 116.57 122.44 1q8l h LYS 65 Ca -0.00 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1q8l h LYS 65 Cb 1.02 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1q8l h LYS 65 CO 0.02 0.34 -0.28 1.96 -2.27 0.00 0.00 179.45 179.22 1q8l h GLN 66 N 0.02 0.90 -0.14 1.90 4.20 -1.39 0.25 115.11 120.86 1q8l h GLN 66 Ca 0.00 -0.43 -0.05 0.00 0.06 0.00 0.00 58.65 58.23 1q8l h GLN 66 Cb 0.56 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1q8l h GLN 66 CO 0.04 1.08 -0.14 0.82 -0.67 0.00 0.00 178.83 179.97 1q8l h ILE 67 N 0.72 1.18 0.00 2.54 2.04 -1.33 -1.30 117.51 121.36 1q8l h ILE 67 Ca 0.08 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 1q8l h ILE 67 Cb 0.86 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1q8l h ILE 67 CO 0.08 0.25 -0.55 -0.33 0.00 0.00 0.00 178.15 177.59 1q8l h GLU 68 N 0.21 0.00 0.10 2.37 5.08 -0.73 0.51 114.58 122.12 1q8l h GLU 68 Ca 0.04 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 1q8l h GLU 68 Cb 0.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1q8l h GLU 68 CO 0.02 0.08 -1.19 0.00 -1.00 0.00 0.00 179.01 176.93 1q8l h ALA 69 N 1.89 0.09 0.00 3.43 0.00 0.51 -3.19 119.26 122.00 1q8l h ALA 69 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1q8l h ALA 69 Cb 1.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1q8l h ALA 69 CO 0.01 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1q8l n MET 70 N -3.73 0.14 0.00 0.00 0.00 -0.59 -4.88 117.12 108.06 1q8l n MET 70 Ca -0.11 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1q8l n MET 70 Cb 0.96 -1.72 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 0.58 1.00 3.09 3.17 0.00 -1.20 -5.09 105.19 106.73 1q8l n GLY 71 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.71 3.49 0.14 1.61 0.40 0.17 -4.86 117.98 117.21 1q8l s PHE 72 Ca 0.00 -2.80 -0.34 0.00 -0.60 0.00 0.00 56.93 53.20 1q8l s PHE 72 Cb 0.00 -3.19 -0.16 0.00 0.51 0.00 0.00 43.02 40.17 1q8l s PHE 72 CO 0.00 -0.81 1.16 -2.30 0.70 0.00 0.00 175.22 173.97 1q8l n PRO 73 N 3.21 1.01 -4.17 0.24 -0.02 -1.26 -3.10 135.00 130.90 1q8l n PRO 73 Ca 0.11 0.36 -0.26 0.00 -2.02 0.00 0.00 63.50 61.69 1q8l n PRO 73 Cb 0.38 -1.86 -0.17 0.00 -0.02 0.00 0.00 33.50 31.83 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 -0.08 1.34 -1.49 3.55 0.00 -1.26 -0.56 121.76 123.26 1q8l s ALA 74 Ca 0.76 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.10 1q8l s ALA 74 Cb -0.91 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1q8l s ALA 74 CO 0.52 -0.21 2.52 1.19 0.00 0.00 0.00 175.76 179.77 1q8l n PHE 75 N 4.50 2.87 -2.19 0.00 3.72 -0.16 -4.87 117.46 121.33 1q8l n PHE 75 Ca -0.17 -2.98 -0.36 0.00 -0.05 0.00 0.00 57.45 53.89 1q8l n PHE 75 Cb 0.51 -2.36 0.01 0.00 -0.94 0.00 0.00 39.48 36.70 1q8l n PHE 75 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1q8l s VAL 76 N 1.83 3.00 0.19 -4.37 1.01 -1.26 -3.18 120.40 117.62 1q8l s VAL 76 Ca 0.57 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1q8l s VAL 76 Cb 0.16 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1q8l s VAL 76 CO -0.07 -0.12 0.00 0.29 0.00 0.00 0.00 175.10 175.21 1q8l n LYS 77 N -1.27 -2.24 -1.11 2.72 4.76 -1.26 -4.99 118.16 114.78 1q8l n LYS 77 Ca 0.12 1.63 0.14 0.00 -2.87 0.00 0.00 58.31 57.32 1q8l n LYS 77 Cb 0.50 -1.81 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 1q8l n LYS 77 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1q8l n LYS 78 N -0.34 -2.49 -3.72 1.97 4.81 -1.26 -4.80 118.16 112.33 1q8l n LYS 78 Ca 0.00 1.95 -0.28 0.00 -0.87 0.00 0.00 58.31 59.11 1q8l n LYS 78 Cb 0.00 -2.93 -0.11 0.00 0.02 0.00 0.00 35.03 32.00 1q8l n LYS 78 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1q8l s GLN 79 N -3.48 1.85 0.78 1.64 2.00 -1.26 -4.71 119.66 116.48 1q8l s GLN 79 Ca 0.00 -2.82 -0.11 0.00 -2.00 0.00 0.00 55.36 50.43 1q8l s GLN 79 Cb 0.00 -2.68 0.06 0.00 0.80 0.00 0.00 33.01 31.20 1q8l s GLN 79 CO 0.00 -1.31 1.09 -1.25 -0.50 0.00 0.00 175.29 173.33 1q8l s PRO 80 N -0.79 2.16 0.54 1.67 0.04 -1.26 -4.88 135.00 132.47 1q8l s PRO 80 Ca 0.27 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1q8l s PRO 80 Cb -0.04 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1q8l s PRO 80 CO -0.16 -1.71 0.00 1.63 0.04 0.00 0.00 177.00 176.80 1q8l n LYS 81 N -3.57 -3.13 -0.03 4.56 4.01 -1.26 -4.69 118.16 114.04 1q8l n LYS 81 Ca 0.09 2.45 -0.14 0.00 -0.51 0.00 0.00 58.31 60.21 1q8l n LYS 81 Cb 0.53 -3.70 -0.10 0.00 -0.51 0.00 0.00 35.03 31.25 1q8l n LYS 81 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 1q8l h TYR 82 N -1.36 0.22 0.00 2.13 0.05 -2.08 -3.45 116.97 112.48 1q8l h TYR 82 Ca -0.14 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.56 1q8l h TYR 82 Cb 1.33 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1q8l h TYR 82 CO 0.03 0.73 0.00 -0.11 -1.05 0.00 0.00 178.16 177.76 1q8l n LEU 83 N -4.64 0.00 0.00 3.88 0.00 -1.26 -5.21 117.00 109.77 1q8l n LEU 83 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.93 1q8l n LEU 83 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.79 1q8l n LEU 83 CO 0.37 0.00 0.19 0.29 0.00 0.00 0.00 177.39 178.25