#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 0.18 1.61 7.64 -1.26 -2.51 113.62 119.28 1q8l n SER 2 Ca 0.00 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.59 1q8l n SER 2 Cb 0.00 -0.09 0.65 0.00 -1.01 0.00 0.00 64.21 63.76 1q8l n SER 2 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1q8l h MET 3 N 0.00 0.00 -1.43 1.43 2.07 -2.00 -3.40 114.93 111.60 1q8l h MET 3 Ca 0.00 0.00 0.13 0.00 -2.07 0.00 0.00 59.70 57.76 1q8l h MET 3 Cb 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 31.60 29.50 1q8l h MET 3 CO 0.00 0.00 0.10 0.00 1.07 0.00 0.00 176.91 178.08 1q8l s ALA 4 N -3.59 -2.41 0.01 6.32 0.00 -1.21 -5.04 121.76 115.84 1q8l s ALA 4 Ca -0.02 2.18 -0.31 0.00 0.00 0.00 0.00 51.96 53.81 1q8l s ALA 4 Cb 0.07 -1.91 -0.10 0.00 0.00 0.00 0.00 23.12 21.19 1q8l s ALA 4 CO 0.25 -0.89 1.95 0.94 0.00 0.00 0.00 175.76 178.01 1q8l n GLN 5 N 5.04 2.73 0.00 0.00 0.00 -1.04 -1.28 117.38 122.83 1q8l n GLN 5 Ca -0.11 1.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.89 1q8l n GLN 5 Cb 0.52 -2.93 0.00 0.00 0.00 0.00 0.00 30.24 27.83 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q8l n ALA 6 N 7.30 0.00 -1.75 1.69 0.00 -1.26 -4.85 120.51 121.64 1q8l n ALA 6 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1q8l n ALA 6 Cb 0.38 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.00 1q8l n ALA 6 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q8l s GLY 7 N 0.00 1.68 0.38 0.00 0.00 -0.77 -4.57 107.32 104.05 1q8l s GLY 7 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1q8l s GLY 7 CO 0.00 -0.25 0.00 -1.84 0.00 0.00 0.00 173.10 171.01 1q8l n GLU 8 N -3.80 -2.21 -3.72 2.90 0.28 -1.26 -0.85 120.64 111.97 1q8l n GLU 8 Ca 0.12 1.79 -0.12 0.00 -0.16 0.00 0.00 57.16 58.79 1q8l n GLU 8 Cb 0.60 -2.45 -0.13 0.00 1.43 0.00 0.00 31.44 30.89 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 -4.12 -0.04 -0.75 3.84 -7.23 0.31 -4.35 120.40 108.06 1q8l s VAL 9 Ca 0.00 0.13 -0.13 0.00 -1.81 0.00 0.00 61.98 60.18 1q8l s VAL 9 Cb 0.00 -0.42 0.20 0.00 0.56 0.00 0.00 36.38 36.72 1q8l s VAL 9 CO 0.00 0.05 0.68 0.68 -0.31 0.00 0.00 175.10 176.20 1q8l s VAL 10 N 1.24 5.29 0.03 1.32 -7.23 -1.26 -1.70 120.40 118.09 1q8l s VAL 10 Ca -0.09 -2.37 -0.17 0.00 -1.81 0.00 0.00 61.98 57.54 1q8l s VAL 10 Cb -0.10 -4.31 -0.06 0.00 0.56 0.00 0.00 36.38 32.48 1q8l s VAL 10 CO -0.09 -0.98 0.49 -0.76 -0.31 0.00 0.00 175.10 173.45 1q8l s LEU 11 N 0.37 4.49 -0.28 1.32 2.01 -0.96 -5.00 118.68 120.62 1q8l s LEU 11 Ca 0.15 1.10 -0.00 0.00 0.01 0.00 0.00 54.13 55.39 1q8l s LEU 11 Cb -0.15 -2.74 0.09 0.00 0.01 0.00 0.00 46.19 43.40 1q8l s LEU 11 CO -0.06 0.28 0.06 -1.59 1.01 0.00 0.00 176.35 176.04 1q8l s LYS 12 N -0.97 0.93 -0.00 1.70 0.00 -1.26 -2.07 119.74 118.06 1q8l s LYS 12 Ca 0.26 -1.04 -0.00 0.00 0.00 0.00 0.00 55.97 55.20 1q8l s LYS 12 Cb -0.18 -2.23 -0.04 0.00 0.00 0.00 0.00 37.83 35.38 1q8l s LYS 12 CO 0.16 -0.86 0.07 -1.64 0.00 0.00 0.00 175.35 173.07 1q8l s MET 13 N 1.55 3.02 -0.57 1.78 -1.94 0.66 -4.30 119.30 119.50 1q8l s MET 13 Ca 0.06 -0.51 0.04 0.00 -1.71 0.00 0.00 55.69 53.57 1q8l s MET 13 Cb -0.18 -2.83 0.14 0.00 2.01 0.00 0.00 34.83 33.97 1q8l s MET 13 CO -0.18 0.64 0.32 0.21 -0.01 0.00 0.00 175.02 176.01 1q8l s LYS 14 N -1.73 2.12 1.06 2.03 2.20 -1.16 -1.23 119.74 123.03 1q8l s LYS 14 Ca 0.23 -2.79 -0.11 0.00 -0.36 0.00 0.00 55.97 52.93 1q8l s LYS 14 Cb -0.12 -3.36 0.22 0.00 -1.51 0.00 0.00 37.83 33.06 1q8l s LYS 14 CO 0.14 -1.15 1.08 0.08 -0.36 0.00 0.00 175.35 175.14 1q8l s VAL 15 N -0.56 2.03 0.19 4.02 1.01 -1.15 -1.30 120.40 124.64 1q8l s VAL 15 Ca 0.19 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1q8l s VAL 15 Cb -0.21 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1q8l s VAL 15 CO -0.04 -0.01 -0.15 -1.61 0.00 0.00 0.00 175.10 173.29 1q8l s GLU 16 N -4.53 1.85 0.00 2.72 8.01 0.12 -4.57 118.70 122.31 1q8l s GLU 16 Ca 0.68 -1.39 0.00 0.00 0.01 0.00 0.00 54.97 54.26 1q8l s GLU 16 Cb -0.24 -2.03 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 1q8l s GLU 16 CO 0.62 0.41 0.53 0.41 0.01 0.00 0.00 175.26 177.24 1q8l n GLY 17 N 0.05 0.92 5.00 -1.39 0.00 -1.26 -4.63 105.19 103.88 1q8l n GLY 17 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.05 0.00 0.00 1.61 1.56 -1.26 -2.27 117.12 116.71 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 0.18 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.55 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 0.00 1.12 5.66 -1.26 -4.99 114.28 114.81 1q8l n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1q8l n THR 19 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -1.07 3.91 0.09 0.00 3.76 -1.23 -5.04 115.29 115.70 1q8l s HIS 21 Ca 0.00 1.87 -0.06 0.00 -0.15 0.00 0.00 55.06 56.72 1q8l s HIS 21 Cb 0.00 -3.04 -0.01 0.00 1.11 0.00 0.00 32.58 30.64 1q8l s HIS 21 CO 0.00 0.27 0.13 -1.54 -0.85 0.00 0.00 174.74 172.75 1q8l s SER 22 N -0.99 0.22 -0.20 1.40 1.04 -1.26 -4.21 113.70 109.69 1q8l s SER 22 Ca 0.42 -0.78 0.13 0.00 0.48 0.00 0.00 55.95 56.20 1q8l s SER 22 Cb -0.27 0.31 0.33 0.00 0.10 0.00 0.00 66.02 66.49 1q8l s SER 22 CO 0.33 -0.71 1.28 0.00 0.98 0.00 0.00 173.24 175.13 1q8l n THR 24 N -0.75 0.33 -0.17 0.00 -2.24 -1.26 -3.32 114.28 106.88 1q8l n THR 24 Ca -0.13 0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.71 1q8l n THR 24 Cb 0.85 -0.76 0.19 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.83 -0.15 3.42 0.87 -2.03 -2.21 113.55 114.27 1q8l h SER 25 Ca 0.00 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 1q8l h SER 25 Cb 0.15 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1q8l h SER 25 CO 0.00 0.75 -0.18 0.71 -0.53 0.00 0.00 176.83 177.58 1q8l h THR 26 N 0.89 1.25 -0.96 2.23 1.35 -2.00 -3.01 112.91 112.65 1q8l h THR 26 Ca 0.21 -1.17 0.07 0.00 -0.55 0.00 0.00 66.41 64.97 1q8l h THR 26 Cb 0.19 1.21 -0.07 0.00 -1.73 0.00 0.00 68.15 67.76 1q8l h THR 26 CO -0.02 0.38 0.62 0.40 -0.25 0.00 0.00 175.52 176.66 1q8l h ILE 27 N 0.51 1.06 0.03 6.82 2.04 -1.59 -1.29 117.51 125.09 1q8l h ILE 27 Ca 0.08 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1q8l h ILE 27 Cb 0.60 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1q8l h ILE 27 CO 0.04 0.20 -0.11 -0.08 0.00 0.00 0.00 178.15 178.20 1q8l h GLU 28 N 1.09 -0.15 0.00 2.37 4.22 -1.49 -1.21 114.58 119.41 1q8l h GLU 28 Ca 0.42 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.83 1q8l h GLU 28 Cb 0.22 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1q8l h GLU 28 CO -0.17 -0.10 -0.19 0.78 -2.18 0.00 0.00 179.01 177.15 1q8l h GLY 29 N -0.16 0.00 0.49 1.92 0.00 -1.69 -1.74 103.07 101.89 1q8l h GLY 29 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q8l h GLY 29 CO -0.05 0.00 -0.01 1.70 0.00 0.00 0.00 176.54 178.18 1q8l h LYS 30 N 0.00 -0.02 0.00 4.80 1.63 -1.13 -2.51 116.57 119.35 1q8l h LYS 30 Ca -0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1q8l h LYS 30 Cb 0.71 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 1q8l h LYS 30 CO 0.02 0.49 -0.39 0.82 -3.45 0.00 0.00 179.45 176.94 1q8l h ILE 31 N -0.53 1.03 0.00 2.00 1.08 -1.24 -2.43 117.51 117.43 1q8l h ILE 31 Ca -0.00 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 1q8l h ILE 31 Cb 0.51 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1q8l h ILE 31 CO 0.00 0.38 0.00 0.61 -0.69 0.00 0.00 178.15 178.46 1q8l n GLY 32 N -0.01 -1.37 0.78 5.37 0.00 -0.66 -2.56 105.19 106.75 1q8l n GLY 32 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.85 2.06 -2.46 1.61 3.00 -0.91 -4.93 118.16 114.67 1q8l n LYS 33 Ca 0.05 -1.56 -0.42 0.00 -0.00 0.00 0.00 58.31 56.38 1q8l n LYS 33 Cb 0.29 -1.47 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 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 -1.84 4.40 0.57 3.14 1.43 -1.06 -5.02 118.68 120.29 1q8l s LEU 34 Ca 0.34 2.01 -0.09 0.00 -1.03 0.00 0.00 54.13 55.37 1q8l s LEU 34 Cb 0.20 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1q8l s LEU 34 CO 0.31 -0.40 0.93 -1.10 0.23 0.00 0.00 176.35 176.32 1q8l s GLN 35 N 0.72 3.54 -0.10 1.70 -1.52 -1.26 -3.84 119.66 118.90 1q8l s GLN 35 Ca 0.56 0.51 0.00 0.00 -1.95 0.00 0.00 55.36 54.48 1q8l s GLN 35 Cb -0.29 -2.20 0.00 0.00 -0.22 0.00 0.00 33.01 30.30 1q8l s GLN 35 CO 0.31 -0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.32 1q8l n GLY 36 N -2.56 0.37 3.88 3.09 0.00 -1.26 -4.73 105.19 103.98 1q8l n GLY 36 Ca 0.04 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.65 5.15 0.00 1.61 1.01 -1.25 -1.69 120.40 123.58 1q8l s VAL 37 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1q8l s VAL 37 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1q8l s VAL 37 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 175.10 175.30 1q8l n GLN 38 N 0.60 0.00 -3.72 2.72 1.13 -0.03 -4.89 117.38 113.20 1q8l n GLN 38 Ca -0.06 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.78 1q8l n GLN 38 Cb 0.52 -0.06 -0.01 0.00 0.11 0.00 0.00 30.24 30.79 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 0.00 3.39 -0.29 -1.09 6.06 -0.77 -4.95 118.95 121.30 1q8l s ARG 39 Ca 0.00 -0.68 0.00 0.00 -2.50 0.00 0.00 55.73 52.55 1q8l s ARG 39 Cb 0.00 -2.81 0.18 0.00 0.06 0.00 0.00 34.95 32.38 1q8l s ARG 39 CO 0.00 0.28 0.56 -1.50 -2.50 0.00 0.00 175.30 172.14 1q8l s ILE 40 N -2.11 -0.93 0.08 4.11 -1.16 -1.26 -1.31 121.20 118.61 1q8l s ILE 40 Ca 0.37 -0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.50 1q8l s ILE 40 Cb -0.09 -0.97 -0.04 0.00 0.61 0.00 0.00 42.46 41.96 1q8l s ILE 40 CO 0.31 -0.03 -0.05 -1.59 -2.81 0.00 0.00 174.94 170.78 1q8l s LYS 41 N 2.80 0.74 0.02 3.50 -2.85 -1.24 -5.01 119.74 117.70 1q8l s LYS 41 Ca 0.18 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1q8l s LYS 41 Cb -0.14 -0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.59 1q8l s LYS 41 CO -0.21 -0.06 -0.03 0.08 0.10 0.00 0.00 175.35 175.22 1q8l s VAL 42 N -3.75 0.14 -0.06 1.79 1.01 -1.26 -1.33 120.40 116.93 1q8l s VAL 42 Ca 0.10 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1q8l s VAL 42 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 1q8l s VAL 42 CO -0.07 -0.47 -0.07 -0.55 0.00 0.00 0.00 175.10 173.94 1q8l s SER 43 N -1.42 4.65 0.42 3.32 0.15 0.10 -4.96 113.70 115.96 1q8l s SER 43 Ca -0.15 -0.03 0.19 0.00 0.70 0.00 0.00 55.95 56.66 1q8l s SER 43 Cb -0.10 -1.16 1.13 0.00 -1.71 0.00 0.00 66.02 64.19 1q8l s SER 43 CO -0.01 0.35 1.81 0.25 1.20 0.00 0.00 173.24 176.85 1q8l h LEU 44 N 5.16 0.39 -8.15 3.45 6.46 -1.96 -1.64 115.31 119.01 1q8l h LEU 44 Ca -0.49 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.26 1q8l h LEU 44 Cb 1.17 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 1q8l h LEU 44 CO 0.52 0.12 0.51 -0.67 -0.62 0.00 0.00 178.44 178.30 1q8l n ASP 45 N -4.53 0.53 -4.02 1.25 2.03 -1.26 -3.37 116.55 107.18 1q8l n ASP 45 Ca 0.22 -1.61 -0.44 0.00 0.52 0.00 0.00 54.79 53.48 1q8l n ASP 45 Cb 0.82 -1.33 0.02 0.00 -0.72 0.00 0.00 41.12 39.91 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 14.79 -4.33 -4.25 1.67 4.13 -1.26 -1.05 115.26 124.96 1q8l n ASN 46 Ca 0.42 -1.25 -0.31 0.00 1.68 0.00 0.00 54.58 55.12 1q8l n ASN 46 Cb 0.40 -1.87 -0.08 0.00 -1.54 0.00 0.00 39.78 36.70 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 -4.85 -1.55 -2.29 3.52 -0.06 -1.20 -2.94 117.38 108.01 1q8l n GLN 47 Ca -0.12 0.18 -0.34 0.00 -2.00 0.00 0.00 57.00 54.73 1q8l n GLN 47 Cb 0.57 -3.96 -0.04 0.00 -4.06 0.00 0.00 30.24 22.75 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 -7.17 3.05 0.34 3.69 2.12 -0.21 -3.66 118.70 116.87 1q8l s GLU 48 Ca 0.11 -0.69 -0.24 0.00 0.36 0.00 0.00 54.97 54.51 1q8l s GLU 48 Cb -0.06 -5.21 -0.10 0.00 0.26 0.00 0.00 34.13 29.02 1q8l s GLU 48 CO 0.97 -2.82 0.92 0.00 -0.54 0.00 0.00 175.26 173.79 1q8l s ALA 49 N 7.63 3.19 -0.42 6.30 0.00 -0.36 -0.72 121.76 137.37 1q8l s ALA 49 Ca 0.59 0.44 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1q8l s ALA 49 Cb -0.03 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 20.15 1q8l s ALA 49 CO -0.05 0.18 0.39 2.41 0.00 0.00 0.00 175.76 178.69 1q8l n THR 50 N 0.24 -0.94 -3.21 0.00 -1.04 -0.44 -0.25 114.28 108.63 1q8l n THR 50 Ca 0.03 -3.62 -0.39 0.00 -2.04 0.00 0.00 64.05 58.03 1q8l n THR 50 Cb 0.51 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.23 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 -0.28 4.85 -0.12 12.58 1.09 -0.88 -3.63 121.20 134.81 1q8l s ILE 51 Ca 0.33 1.26 -0.03 0.00 -1.10 0.00 0.00 60.65 61.11 1q8l s ILE 51 Cb 0.06 -3.93 -0.03 0.00 -1.06 0.00 0.00 42.46 37.50 1q8l s ILE 51 CO -0.18 0.45 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.40 1q8l s VAL 52 N -0.42 4.11 0.29 2.92 1.01 -0.43 -2.27 120.40 125.61 1q8l s VAL 52 Ca 0.31 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1q8l s VAL 52 Cb -0.19 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1q8l s VAL 52 CO 0.18 0.55 0.60 -0.72 0.00 0.00 0.00 175.10 175.70 1q8l s TYR 53 N -0.28 0.25 -0.31 5.22 1.13 -0.69 -0.85 117.35 121.82 1q8l s TYR 53 Ca 0.06 -0.67 -0.21 0.00 -1.41 0.00 0.00 57.07 54.84 1q8l s TYR 53 Cb -0.12 0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 1q8l s TYR 53 CO 0.02 -1.17 0.64 -0.65 -2.51 0.00 0.00 175.55 171.89 1q8l s GLN 54 N -3.61 3.88 0.03 -3.49 -0.21 -0.68 -0.53 119.66 115.04 1q8l s GLN 54 Ca 0.19 0.29 -0.26 0.00 0.02 0.00 0.00 55.36 55.60 1q8l s GLN 54 Cb -0.03 -3.74 -0.17 0.00 1.00 0.00 0.00 33.01 30.07 1q8l s GLN 54 CO 0.10 -0.60 1.37 -1.00 -2.12 0.00 0.00 175.29 173.04 1q8l h PRO 55 N 8.22 -0.36 -0.14 2.91 0.13 -1.88 0.29 132.00 141.16 1q8l h PRO 55 Ca -0.26 0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 1q8l h PRO 55 Cb 1.11 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1q8l h PRO 55 CO 0.81 -0.08 0.15 1.12 -0.23 0.00 0.00 178.00 179.77 1q8l h HIS 56 N -0.64 0.00 0.12 1.56 2.07 -1.97 -2.44 115.15 113.84 1q8l h HIS 56 Ca -0.04 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.13 1q8l h HIS 56 Cb 0.45 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.42 1q8l h HIS 56 CO 0.01 0.00 -1.88 1.25 -3.07 0.00 0.00 177.93 174.24 1q8l h LEU 57 N 0.00 0.39 -7.02 6.12 5.85 -1.84 -3.49 115.31 115.32 1q8l h LEU 57 Ca 0.07 -0.78 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 1q8l h LEU 57 Cb 0.36 -0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 1q8l h LEU 57 CO -0.00 1.69 0.19 -0.51 -0.34 0.00 0.00 178.44 179.47 1q8l s ILE 58 N -2.57 0.00 -0.37 4.05 2.07 0.07 -4.90 121.20 119.55 1q8l s ILE 58 Ca -0.18 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.04 1q8l s ILE 58 Cb 0.07 -1.01 0.11 0.00 0.13 0.00 0.00 42.46 41.76 1q8l s ILE 58 CO 0.80 -0.02 0.15 -0.44 -1.91 0.00 0.00 174.94 173.52 1q8l s SER 59 N -2.73 3.99 0.51 4.50 0.01 -1.26 -3.85 113.70 114.86 1q8l s SER 59 Ca 0.01 -2.11 0.24 0.00 1.31 0.00 0.00 55.95 55.40 1q8l s SER 59 Cb -0.01 -1.04 1.37 0.00 0.21 0.00 0.00 66.02 66.55 1q8l s SER 59 CO -0.13 -0.35 2.07 0.58 0.41 0.00 0.00 173.24 175.83 1q8l h VAL 60 N 6.01 0.72 -0.63 3.43 2.07 -1.94 -2.28 116.25 123.63 1q8l h VAL 60 Ca -0.07 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1q8l h VAL 60 Cb 0.98 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1q8l h VAL 60 CO 0.49 0.12 0.41 -0.08 0.02 0.00 0.00 177.57 178.53 1q8l h GLU 61 N 0.00 0.61 -0.58 1.57 4.22 -1.97 0.17 114.58 118.60 1q8l h GLU 61 Ca -0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 59.36 59.33 1q8l h GLU 61 Cb 0.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1q8l h GLU 61 CO 0.02 0.40 0.10 1.49 -2.18 0.00 0.00 179.01 178.83 1q8l h GLU 62 N 0.63 0.95 0.00 1.92 4.81 -1.85 0.41 114.58 121.45 1q8l h GLU 62 Ca 0.27 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1q8l h GLU 62 Cb 0.26 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1q8l h GLU 62 CO -0.08 0.91 -0.38 0.52 -0.73 0.00 0.00 179.01 179.24 1q8l h MET 63 N 0.85 0.00 0.00 1.92 2.86 -1.11 -2.27 114.93 117.18 1q8l h MET 63 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1q8l h MET 63 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1q8l h MET 63 CO 0.01 0.38 -0.09 0.87 1.06 0.00 0.00 176.91 179.15 1q8l h LYS 64 N 0.00 0.00 -0.05 1.72 1.79 -0.00 -3.08 116.57 116.95 1q8l h LYS 64 Ca -0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1q8l h LYS 64 Cb 0.82 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1q8l h LYS 64 CO 0.05 0.00 -0.51 -0.22 -1.08 0.00 0.00 179.45 177.69 1q8l h LYS 65 N 0.00 0.13 -0.38 3.15 3.64 -0.33 -2.56 116.57 120.22 1q8l h LYS 65 Ca 0.00 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 1q8l h LYS 65 Cb 0.93 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1q8l h LYS 65 CO 0.00 0.61 -0.03 1.96 -2.27 0.00 0.00 179.45 179.72 1q8l h GLN 66 N 0.10 0.61 -0.33 1.90 1.08 -1.52 0.73 115.11 117.69 1q8l h GLN 66 Ca 0.00 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 56.98 1q8l h GLN 66 Cb 0.95 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.28 1q8l h GLN 66 CO 0.07 0.66 -0.05 0.82 -0.95 0.00 0.00 178.83 179.38 1q8l h ILE 67 N 0.58 1.21 0.00 2.54 2.04 -1.55 -0.61 117.51 121.72 1q8l h ILE 67 Ca 0.12 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1q8l h ILE 67 Cb 0.42 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1q8l h ILE 67 CO 0.02 0.30 -0.16 -0.33 0.00 0.00 0.00 178.15 177.98 1q8l h GLU 68 N 0.51 0.00 0.17 2.37 5.08 -1.15 0.13 114.58 121.69 1q8l h GLU 68 Ca 0.10 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.16 1q8l h GLU 68 Cb 0.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.68 1q8l h GLU 68 CO 0.02 0.03 -1.32 0.00 -1.00 0.00 0.00 179.01 176.74 1q8l h ALA 69 N 1.97 -0.00 0.00 3.43 0.00 0.11 -3.22 119.26 121.55 1q8l h ALA 69 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1q8l h ALA 69 Cb 1.03 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1q8l h ALA 69 CO 0.00 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.07 1q8l n MET 70 N -3.65 0.06 0.00 0.00 0.00 -0.33 -4.87 117.12 108.32 1q8l n MET 70 Ca -0.12 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1q8l n MET 70 Cb 1.04 -1.58 0.00 0.00 0.00 0.00 0.00 33.22 32.68 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 0.81 1.74 2.84 3.17 0.00 -1.20 -5.09 105.19 107.45 1q8l n GLY 71 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.86 3.10 0.35 1.61 0.40 0.03 -4.40 117.98 117.21 1q8l s PHE 72 Ca 0.00 -3.13 -0.26 0.00 -0.60 0.00 0.00 56.93 52.94 1q8l s PHE 72 Cb 0.00 -2.46 -0.12 0.00 0.51 0.00 0.00 43.02 40.95 1q8l s PHE 72 CO 0.00 -0.63 1.00 -2.30 0.70 0.00 0.00 175.22 173.99 1q8l n PRO 73 N 2.38 1.37 -4.40 0.24 -0.02 -1.26 -3.26 135.00 130.04 1q8l n PRO 73 Ca 0.18 0.48 -0.28 0.00 -2.02 0.00 0.00 63.50 61.86 1q8l n PRO 73 Cb 0.36 -1.94 -0.17 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.17 1.58 -1.18 3.55 0.00 -1.26 -0.70 121.76 122.58 1q8l s ALA 74 Ca 0.60 -0.66 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 1q8l s ALA 74 Cb -0.63 -0.80 0.09 0.00 0.00 0.00 0.00 23.12 21.78 1q8l s ALA 74 CO 0.59 -0.09 1.56 -0.06 0.00 0.00 0.00 175.76 177.76 1q8l s PHE 75 N 1.03 2.88 0.62 0.00 0.08 -0.42 -4.83 117.98 117.33 1q8l s PHE 75 Ca -0.06 -1.51 -0.13 0.00 0.12 0.00 0.00 56.93 55.35 1q8l s PHE 75 Cb -0.15 -4.62 -0.03 0.00 -0.57 0.00 0.00 43.02 37.65 1q8l s PHE 75 CO -0.02 -1.74 1.04 0.08 -0.10 0.00 0.00 175.22 174.48 1q8l s VAL 76 N 3.79 4.23 -0.14 -0.44 1.01 -1.26 -2.98 120.40 124.62 1q8l s VAL 76 Ca 0.48 0.87 -0.10 0.00 0.00 0.00 0.00 61.98 63.24 1q8l s VAL 76 Cb 0.01 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1q8l s VAL 76 CO 0.01 -0.80 0.19 1.17 0.00 0.00 0.00 175.10 175.66 1q8l n LYS 77 N -2.45 -3.79 -3.74 2.72 0.00 -1.26 -5.00 118.16 104.64 1q8l n LYS 77 Ca 0.07 2.94 -0.12 0.00 0.00 0.00 0.00 58.31 61.20 1q8l n LYS 77 Cb 0.54 -4.28 -0.12 0.00 0.00 0.00 0.00 35.03 31.17 1q8l n LYS 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1q8l s LYS 78 N -0.75 0.28 -0.45 1.64 2.20 -1.26 -5.10 119.74 116.30 1q8l s LYS 78 Ca -0.22 0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 1q8l s LYS 78 Cb 0.01 -0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.22 1q8l s LYS 78 CO 0.60 -0.12 2.34 1.04 -0.36 0.00 0.00 175.35 178.84 1q8l n GLN 79 N 3.80 1.09 -1.77 4.03 1.13 -1.26 -4.80 117.38 119.60 1q8l n GLN 79 Ca -0.21 0.20 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1q8l n GLN 79 Cb 0.55 -2.79 -0.01 0.00 0.11 0.00 0.00 30.24 28.10 1q8l n GLN 79 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1q8l n PRO 80 N 8.60 2.65 -4.83 -1.09 -0.04 -1.26 -4.89 135.00 134.14 1q8l n PRO 80 Ca 0.41 -2.57 -0.31 0.00 -0.04 0.00 0.00 63.50 60.99 1q8l n PRO 80 Cb 0.34 -3.27 -0.14 0.00 -0.04 0.00 0.00 33.50 30.39 1q8l n PRO 80 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1q8l s LYS 81 N 3.72 2.00 -1.36 0.54 3.01 -1.26 -5.04 119.74 121.36 1q8l s LYS 81 Ca 0.50 -1.00 -0.16 0.00 -1.01 0.00 0.00 55.97 54.30 1q8l s LYS 81 Cb 0.12 -2.11 0.07 0.00 -1.01 0.00 0.00 37.83 34.90 1q8l s LYS 81 CO -0.03 0.54 1.93 0.98 0.51 0.00 0.00 175.35 179.28 1q8l n TYR 82 N 1.78 4.15 -3.08 3.18 9.36 -1.26 -4.64 117.16 126.65 1q8l n TYR 82 Ca -0.16 -2.92 0.03 0.00 3.32 0.00 0.00 57.90 58.16 1q8l n TYR 82 Cb 0.52 -2.55 -0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1q8l n TYR 82 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1q8l s LEU 83 N 3.05 -1.10 0.00 2.98 1.98 -1.26 -5.34 118.68 119.00 1q8l s LEU 83 Ca 0.50 -0.29 0.27 0.00 -2.89 0.00 0.00 54.13 51.72 1q8l s LEU 83 Cb 0.08 1.51 1.63 0.00 0.66 0.00 0.00 46.19 50.07 1q8l s LEU 83 CO 0.00 -0.15 1.98 0.29 -1.89 0.00 0.00 176.35 176.58