#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 -0.00 1.61 7.64 -1.26 -1.11 113.62 120.50 1q8l n SER 2 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1q8l n SER 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1q8l n SER 2 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1q8l h MET 3 N 0.00 0.65 0.00 1.43 -1.53 -2.10 -3.46 114.93 109.93 1q8l h MET 3 Ca 0.00 -0.60 0.00 0.00 -3.44 0.00 0.00 59.70 55.66 1q8l h MET 3 Cb 0.00 0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.20 1q8l h MET 3 CO 0.00 1.21 0.00 0.00 0.14 0.00 0.00 176.91 178.26 1q8l n ALA 4 N -2.60 0.03 -2.80 0.39 0.00 -0.27 -5.13 120.51 110.14 1q8l n ALA 4 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1q8l n ALA 4 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.80 -3.23 -2.19 0.00 -0.06 -0.94 -4.59 117.38 103.57 1q8l n GLN 5 Ca 0.00 2.57 -0.35 0.00 -2.00 0.00 0.00 57.00 57.22 1q8l n GLN 5 Cb 0.00 -3.72 0.02 0.00 -4.06 0.00 0.00 30.24 22.48 1q8l n GLN 5 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1q8l n ALA 6 N 1.71 5.92 -2.88 1.69 0.00 -1.26 -4.82 120.51 120.87 1q8l n ALA 6 Ca -0.21 -4.24 -0.22 0.00 0.00 0.00 0.00 53.44 48.77 1q8l n ALA 6 Cb 0.37 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.49 -0.51 3.46 0.00 0.00 -1.26 -4.97 105.19 101.42 1q8l n GLY 7 Ca 0.47 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.35 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 -5.54 1.81 -0.12 1.61 4.04 -1.26 -4.30 118.70 114.94 1q8l s GLU 8 Ca 0.22 -2.08 -0.10 0.00 0.04 0.00 0.00 54.97 53.06 1q8l s GLU 8 Cb -0.10 -0.51 0.04 0.00 0.02 0.00 0.00 34.13 33.57 1q8l s GLU 8 CO 0.28 -0.43 0.32 0.14 -1.84 0.00 0.00 175.26 173.72 1q8l s VAL 9 N -3.32 -0.01 -0.75 1.83 -7.23 0.37 -4.81 120.40 106.48 1q8l s VAL 9 Ca 0.29 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.52 1q8l s VAL 9 Cb 0.04 -0.45 0.22 0.00 0.56 0.00 0.00 36.38 36.75 1q8l s VAL 9 CO 0.16 0.01 0.74 1.33 -0.31 0.00 0.00 175.10 177.02 1q8l n VAL 10 N 3.19 2.51 0.32 1.32 0.24 -1.26 -2.64 118.33 122.01 1q8l n VAL 10 Ca -0.15 -5.15 0.20 0.00 -2.04 0.00 0.00 64.34 57.20 1q8l n VAL 10 Cb 0.57 -2.18 1.05 0.00 -1.47 0.00 0.00 33.84 31.81 1q8l n VAL 10 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1q8l h LEU 11 N 5.03 0.00 -2.64 1.34 -0.00 -1.95 -3.48 115.31 113.60 1q8l h LEU 11 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.06 1q8l h LEU 11 Cb 0.72 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.34 1q8l h LEU 11 CO 0.85 0.01 -0.94 0.29 -0.00 0.00 0.00 178.44 178.65 1q8l n LYS 12 N -3.19 -2.49 -3.85 1.13 4.76 -1.26 -1.64 118.16 111.62 1q8l n LYS 12 Ca -0.02 2.12 -0.36 0.00 -2.87 0.00 0.00 58.31 57.18 1q8l n LYS 12 Cb 0.13 -3.21 -0.07 0.00 -1.84 0.00 0.00 35.03 30.05 1q8l n LYS 12 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1q8l s MET 13 N -0.88 3.75 -0.52 1.97 -1.94 0.06 -1.94 119.30 119.80 1q8l s MET 13 Ca -0.07 -0.19 0.03 0.00 -1.71 0.00 0.00 55.69 53.75 1q8l s MET 13 Cb 0.00 -3.26 0.15 0.00 2.01 0.00 0.00 34.83 33.73 1q8l s MET 13 CO 0.42 0.56 0.32 0.21 -0.01 0.00 0.00 175.02 176.51 1q8l s LYS 14 N -0.39 1.70 0.99 2.03 2.36 -1.10 -0.64 119.74 124.69 1q8l s LYS 14 Ca 0.11 -2.49 -0.12 0.00 -2.55 0.00 0.00 55.97 50.93 1q8l s LYS 14 Cb -0.12 -2.74 0.19 0.00 -1.05 0.00 0.00 37.83 34.11 1q8l s LYS 14 CO 0.01 -1.20 1.08 0.08 1.55 0.00 0.00 175.35 176.87 1q8l s VAL 15 N -0.27 2.31 -0.15 4.02 1.01 -1.07 -0.75 120.40 125.50 1q8l s VAL 15 Ca 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1q8l s VAL 15 Cb -0.17 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1q8l s VAL 15 CO -0.06 -0.13 -0.11 -0.70 0.00 0.00 0.00 175.10 174.10 1q8l s GLU 16 N -4.73 3.42 -0.03 2.72 2.12 0.67 -4.48 118.70 118.40 1q8l s GLU 16 Ca 0.66 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 55.34 1q8l s GLU 16 Cb -0.21 -2.72 0.04 0.00 0.26 0.00 0.00 34.13 31.49 1q8l s GLU 16 CO 0.60 0.16 1.07 0.41 -0.54 0.00 0.00 175.26 176.95 1q8l n GLY 17 N 3.71 2.15 7.00 -1.50 0.00 -1.26 -4.55 105.19 110.74 1q8l n GLY 17 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.42 0.00 0.00 1.61 1.56 -1.26 -0.82 117.12 118.63 1q8l n MET 18 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.46 1q8l n MET 18 Cb 0.57 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.94 1q8l n MET 18 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1q8l n THR 19 N 0.00 0.00 0.92 1.12 -2.24 -1.26 -4.84 114.28 107.98 1q8l n THR 19 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1q8l n THR 19 Cb 0.00 -0.18 0.10 0.00 -2.10 0.00 0.00 70.33 68.15 1q8l n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q8l n HIS 21 N -1.59 0.00 -3.69 0.00 -0.00 -0.00 -4.97 115.22 104.97 1q8l n HIS 21 Ca 0.04 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.82 1q8l n HIS 21 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.33 1q8l n HIS 21 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1q8l n SER 22 N 5.67 -5.96 0.00 0.41 7.64 -1.26 -4.83 113.62 115.29 1q8l n SER 22 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1q8l n SER 22 Cb 0.00 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1q8l n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q8l n THR 24 N -1.69 0.06 0.19 0.00 -2.24 -1.26 -2.90 114.28 106.44 1q8l n THR 24 Ca 0.00 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1q8l n THR 24 Cb 0.01 -0.63 0.39 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.00 -0.17 3.42 0.87 -2.02 -2.46 113.55 113.19 1q8l h SER 25 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1q8l h SER 25 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1q8l h SER 25 CO 0.00 0.36 -0.16 0.71 -0.53 0.00 0.00 176.83 177.21 1q8l h THR 26 N 0.00 1.25 -0.99 2.23 1.35 -1.94 -2.80 112.91 112.01 1q8l h THR 26 Ca -0.00 -1.13 0.26 0.00 -0.55 0.00 0.00 66.41 64.98 1q8l h THR 26 Cb 0.73 1.17 -0.06 0.00 -1.73 0.00 0.00 68.15 68.26 1q8l h THR 26 CO 0.05 0.37 0.67 0.40 -0.25 0.00 0.00 175.52 176.76 1q8l h ILE 27 N 0.52 0.55 0.00 6.82 1.08 -1.64 -0.72 117.51 124.13 1q8l h ILE 27 Ca 0.09 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1q8l h ILE 27 Cb 0.57 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 1q8l h ILE 27 CO 0.04 0.04 0.00 1.21 -0.69 0.00 0.00 178.15 178.75 1q8l n GLU 28 N -4.42 0.00 0.19 2.37 0.00 -1.06 -1.77 120.64 115.96 1q8l n GLU 28 Ca 0.22 0.59 0.09 0.00 0.00 0.00 0.00 57.16 58.06 1q8l n GLU 28 Cb 0.92 -1.31 0.15 0.00 0.00 0.00 0.00 31.44 31.19 1q8l n GLU 28 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1q8l h GLY 29 N 0.00 0.00 1.62 8.31 0.00 -1.73 -0.34 103.07 110.93 1q8l h GLY 29 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1q8l h GLY 29 CO 0.00 0.00 -0.04 1.70 0.00 0.00 0.00 176.54 178.20 1q8l h LYS 30 N 0.00 0.47 0.00 4.80 1.63 -1.11 -1.57 116.57 120.79 1q8l h LYS 30 Ca -0.00 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 1q8l h LYS 30 Cb 1.11 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 1q8l h LYS 30 CO 0.02 0.53 -1.82 -0.89 -3.45 0.00 0.00 179.45 173.85 1q8l n ILE 31 N -4.27 0.21 0.64 2.00 2.08 -0.73 -4.41 119.36 114.87 1q8l n ILE 31 Ca 0.01 -0.43 0.13 0.00 0.56 0.00 0.00 62.75 63.02 1q8l n ILE 31 Cb 0.26 -0.02 0.41 0.00 -0.75 0.00 0.00 39.64 39.54 1q8l n ILE 31 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1q8l n GLY 32 N 1.66 -1.70 0.72 7.39 0.00 -0.14 -3.22 105.19 109.90 1q8l n GLY 32 Ca -0.07 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.24 1.97 -2.36 1.61 3.00 -0.60 -4.86 118.16 114.68 1q8l n LYS 33 Ca 0.06 -1.44 -0.41 0.00 -0.00 0.00 0.00 58.31 56.52 1q8l n LYS 33 Cb 0.42 -1.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.97 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 3.29 -0.18 3.14 1.43 -1.20 -4.96 118.68 118.41 1q8l s LEU 34 Ca 0.34 0.06 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1q8l s LEU 34 Cb 0.20 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 1q8l s LEU 34 CO 0.30 -1.92 1.25 -1.10 0.23 0.00 0.00 176.35 175.12 1q8l s GLN 35 N 5.96 4.22 0.00 1.70 -0.21 -1.26 -2.89 119.66 127.18 1q8l s GLN 35 Ca 0.50 1.62 0.00 0.00 0.02 0.00 0.00 55.36 57.50 1q8l s GLN 35 Cb -0.10 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.14 1q8l s GLN 35 CO 0.21 -0.73 0.00 0.41 -2.12 0.00 0.00 175.29 173.06 1q8l n GLY 36 N 3.63 1.36 3.81 3.09 0.00 -1.26 -4.56 105.19 111.26 1q8l n GLY 36 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 4.95 0.00 1.61 1.01 -1.14 -1.70 120.40 123.13 1q8l s VAL 37 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1q8l s VAL 37 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1q8l s VAL 37 CO 0.00 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.63 1q8l n GLN 38 N 2.11 0.00 -3.71 2.72 6.02 -0.59 -4.93 117.38 119.00 1q8l n GLN 38 Ca -0.11 0.03 -0.28 0.00 -0.01 0.00 0.00 57.00 56.62 1q8l n GLN 38 Cb 0.52 -0.25 -0.03 0.00 1.02 0.00 0.00 30.24 31.49 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 -0.25 3.53 -0.22 -1.09 6.06 -0.65 -4.96 118.95 121.37 1q8l s ARG 39 Ca 0.00 -0.31 -0.06 0.00 -2.50 0.00 0.00 55.73 52.86 1q8l s ARG 39 Cb 0.00 -2.86 0.10 0.00 0.06 0.00 0.00 34.95 32.26 1q8l s ARG 39 CO 0.00 0.43 0.44 -1.50 -2.50 0.00 0.00 175.30 172.17 1q8l s ILE 40 N -1.80 -0.69 0.08 4.11 2.07 -1.26 -1.17 121.20 122.53 1q8l s ILE 40 Ca 0.39 0.11 -0.26 0.00 -1.41 0.00 0.00 60.65 59.48 1q8l s ILE 40 Cb -0.11 -0.73 0.08 0.00 0.13 0.00 0.00 42.46 41.83 1q8l s ILE 40 CO 0.28 0.03 0.78 -1.59 -1.91 0.00 0.00 174.94 172.54 1q8l s LYS 41 N 2.64 1.06 -0.05 3.50 0.00 -1.26 -4.98 119.74 120.64 1q8l s LYS 41 Ca 0.01 -0.42 0.05 0.00 0.00 0.00 0.00 55.97 55.60 1q8l s LYS 41 Cb -0.13 0.47 -0.00 0.00 0.00 0.00 0.00 37.83 38.17 1q8l s LYS 41 CO -0.14 -0.47 -0.20 0.08 0.00 0.00 0.00 175.35 174.63 1q8l s VAL 42 N -3.39 1.64 0.52 1.79 1.01 -1.26 -1.48 120.40 119.23 1q8l s VAL 42 Ca 0.04 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1q8l s VAL 42 Cb -0.01 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 35.01 1q8l s VAL 42 CO -0.09 0.47 0.58 -0.44 0.00 0.00 0.00 175.10 175.62 1q8l s SER 43 N 0.04 5.01 0.00 3.32 0.01 -0.25 -4.91 113.70 116.92 1q8l s SER 43 Ca -0.06 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1q8l s SER 43 Cb -0.13 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1q8l s SER 43 CO 0.03 -1.09 0.00 0.18 0.41 0.00 0.00 173.24 172.77 1q8l n LEU 44 N -1.94 0.00 -3.57 2.44 4.32 -1.26 -1.40 117.00 115.59 1q8l n LEU 44 Ca 0.07 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.81 1q8l n LEU 44 Cb 0.62 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.47 1q8l n LEU 44 CO 0.40 -0.01 -0.05 -0.67 -1.22 0.00 0.00 177.39 175.85 1q8l n ASP 45 N 0.00 -4.88 -3.10 -1.43 2.03 -1.26 -1.78 116.55 106.13 1q8l n ASP 45 Ca 0.00 -0.90 -0.18 0.00 0.52 0.00 0.00 54.79 54.24 1q8l n ASP 45 Cb 0.00 -4.01 0.02 0.00 -0.72 0.00 0.00 41.12 36.41 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 -2.90 -6.97 -3.95 1.67 3.02 -1.26 -3.65 115.26 101.22 1q8l n ASN 46 Ca -0.13 0.38 -0.36 0.00 -0.03 0.00 0.00 54.58 54.44 1q8l n ASN 46 Cb 0.62 -3.73 0.01 0.00 -0.61 0.00 0.00 39.78 36.07 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 -0.01 -0.52 -2.62 3.52 7.27 -1.25 -2.61 117.38 121.16 1q8l n GLN 47 Ca 0.02 0.08 -0.42 0.00 0.07 0.00 0.00 57.00 56.75 1q8l n GLN 47 Cb 0.49 -1.84 -0.02 0.00 2.41 0.00 0.00 30.24 31.29 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 -6.58 3.78 0.27 3.69 2.12 -0.49 -2.80 118.70 118.68 1q8l s GLU 48 Ca 0.33 -1.61 -0.30 0.00 0.36 0.00 0.00 54.97 53.76 1q8l s GLU 48 Cb -0.19 -5.37 -0.10 0.00 0.26 0.00 0.00 34.13 28.73 1q8l s GLU 48 CO 0.80 -2.16 1.34 0.00 -0.54 0.00 0.00 175.26 174.70 1q8l s ALA 49 N 4.27 3.54 -0.37 6.30 0.00 0.18 -1.09 121.76 134.60 1q8l s ALA 49 Ca 0.48 1.23 0.14 0.00 0.00 0.00 0.00 51.96 53.80 1q8l s ALA 49 Cb 0.01 -3.50 0.42 0.00 0.00 0.00 0.00 23.12 20.05 1q8l s ALA 49 CO -0.02 -0.63 0.93 2.41 0.00 0.00 0.00 175.76 178.44 1q8l n THR 50 N 1.81 1.10 -2.39 0.00 -1.04 -0.55 -0.76 114.28 112.46 1q8l n THR 50 Ca 0.04 -3.87 -0.42 0.00 -2.04 0.00 0.00 64.05 57.75 1q8l n THR 50 Cb 0.42 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 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 -3.46 4.08 -0.12 12.58 1.09 -1.25 -4.38 121.20 129.74 1q8l s ILE 51 Ca 0.35 1.43 -0.08 0.00 -1.10 0.00 0.00 60.65 61.24 1q8l s ILE 51 Cb 0.41 -3.92 -0.04 0.00 -1.06 0.00 0.00 42.46 37.85 1q8l s ILE 51 CO -0.04 0.00 0.17 -0.69 -0.10 0.00 0.00 174.94 174.28 1q8l s VAL 52 N 2.21 5.45 0.34 2.92 1.01 -0.31 -4.59 120.40 127.43 1q8l s VAL 52 Ca 0.58 0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 1q8l s VAL 52 Cb -0.27 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1q8l s VAL 52 CO 0.24 0.59 0.58 -0.72 0.00 0.00 0.00 175.10 175.78 1q8l s TYR 53 N -0.85 0.67 -0.22 5.22 1.13 -1.08 -1.55 117.35 120.68 1q8l s TYR 53 Ca 0.15 -1.06 -0.22 0.00 -1.41 0.00 0.00 57.07 54.53 1q8l s TYR 53 Cb -0.12 0.25 -0.02 0.00 -1.10 0.00 0.00 41.96 40.96 1q8l s TYR 53 CO 0.04 -1.26 0.68 -0.65 -2.51 0.00 0.00 175.55 171.86 1q8l s GLN 54 N -2.95 4.18 -0.01 -3.49 -0.21 -0.69 -0.48 119.66 116.02 1q8l s GLN 54 Ca 0.25 0.69 -0.24 0.00 0.02 0.00 0.00 55.36 56.08 1q8l s GLN 54 Cb -0.02 -3.61 -0.16 0.00 1.00 0.00 0.00 33.01 30.22 1q8l s GLN 54 CO 0.16 -0.35 1.12 -1.00 -2.12 0.00 0.00 175.29 173.10 1q8l h PRO 55 N 7.63 -0.38 -0.45 2.91 0.13 -1.75 -1.20 132.00 138.89 1q8l h PRO 55 Ca -0.28 0.03 0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1q8l h PRO 55 Cb 1.13 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1q8l h PRO 55 CO 0.80 -0.04 0.47 1.12 -0.23 0.00 0.00 178.00 180.12 1q8l h HIS 56 N -0.81 0.00 0.02 1.56 2.07 -1.93 -2.82 115.15 113.23 1q8l h HIS 56 Ca -0.04 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.14 1q8l h HIS 56 Cb 0.51 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.45 1q8l h HIS 56 CO 0.04 0.00 -1.88 -0.11 -3.07 0.00 0.00 177.93 172.91 1q8l n LEU 57 N -3.74 2.11 -3.89 6.12 7.94 -1.18 -5.06 117.00 119.29 1q8l n LEU 57 Ca 0.08 0.31 -0.09 0.00 -1.11 0.00 0.00 56.01 55.21 1q8l n LEU 57 Cb 0.66 -0.94 -0.04 0.00 0.53 0.00 0.00 43.42 43.62 1q8l n LEU 57 CO 0.28 0.52 0.25 -0.51 -1.11 0.00 0.00 177.39 176.81 1q8l s ILE 58 N -2.45 0.01 -0.19 1.96 2.07 -0.46 -4.94 121.20 117.20 1q8l s ILE 58 Ca -0.32 -1.14 -0.02 0.00 -1.41 0.00 0.00 60.65 57.76 1q8l s ILE 58 Cb 0.09 -1.95 0.06 0.00 0.13 0.00 0.00 42.46 40.78 1q8l s ILE 58 CO 0.59 -0.06 0.00 -0.94 -1.91 0.00 0.00 174.94 172.63 1q8l s SER 59 N -2.95 3.01 0.38 4.50 1.04 -1.26 -4.03 113.70 114.39 1q8l s SER 59 Ca 0.16 -0.83 0.20 0.00 0.48 0.00 0.00 55.95 55.96 1q8l s SER 59 Cb -0.01 -0.74 0.63 0.00 0.10 0.00 0.00 66.02 65.99 1q8l s SER 59 CO 0.04 -0.27 1.70 0.58 0.98 0.00 0.00 173.24 176.28 1q8l h VAL 60 N 6.52 0.70 0.00 5.02 2.07 -1.95 -2.95 116.25 125.65 1q8l h VAL 60 Ca -0.18 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1q8l h VAL 60 Cb 1.11 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1q8l h VAL 60 CO 0.36 0.32 0.00 -0.08 0.02 0.00 0.00 177.57 178.18 1q8l h GLU 61 N 0.00 0.00 -0.11 1.57 4.81 -1.98 -0.89 114.58 117.99 1q8l h GLU 61 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1q8l h GLU 61 Cb 0.95 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.34 1q8l h GLU 61 CO 0.04 0.00 -0.44 1.49 -0.73 0.00 0.00 179.01 179.37 1q8l h GLU 62 N 0.00 0.50 0.00 1.92 4.81 -1.96 -2.95 114.58 116.91 1q8l h GLU 62 Ca 0.00 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1q8l h GLU 62 Cb 0.02 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1q8l h GLU 62 CO 0.00 1.01 -0.19 0.52 -0.73 0.00 0.00 179.01 179.63 1q8l h MET 63 N 0.10 0.00 -0.30 1.92 2.86 -1.34 -1.53 114.93 116.64 1q8l h MET 63 Ca -0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1q8l h MET 63 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1q8l h MET 63 CO 0.09 0.19 -0.03 0.87 1.06 0.00 0.00 176.91 179.09 1q8l h LYS 64 N 0.00 0.46 -0.16 1.72 1.79 -1.32 -1.72 116.57 117.34 1q8l h LYS 64 Ca -0.00 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1q8l h LYS 64 Cb 0.34 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1q8l h LYS 64 CO 0.02 0.52 -0.06 -0.22 -1.08 0.00 0.00 179.45 178.63 1q8l h LYS 65 N 0.44 0.24 -0.38 3.15 1.63 -1.18 0.02 116.57 120.50 1q8l h LYS 65 Ca 0.09 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.70 1q8l h LYS 65 Cb 0.34 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1q8l h LYS 65 CO 0.01 0.32 -0.38 1.96 -3.45 0.00 0.00 179.45 177.92 1q8l h GLN 66 N 0.23 0.90 0.00 1.90 1.08 -1.33 0.29 115.11 118.19 1q8l h GLN 66 Ca 0.05 -0.47 -0.07 0.00 -1.45 0.00 0.00 58.65 56.72 1q8l h GLN 66 Cb 0.27 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1q8l h GLN 66 CO 0.01 1.12 -0.33 0.82 -0.95 0.00 0.00 178.83 179.51 1q8l h ILE 67 N 0.74 1.08 0.00 2.54 2.04 -0.93 -1.08 117.51 121.90 1q8l h ILE 67 Ca 0.06 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1q8l h ILE 67 Cb 0.96 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1q8l h ILE 67 CO 0.09 0.32 -0.75 -0.33 0.00 0.00 0.00 178.15 177.48 1q8l h GLU 68 N 0.00 0.00 0.12 2.37 5.08 -0.57 0.13 114.58 121.71 1q8l h GLU 68 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 1q8l h GLU 68 Cb 0.64 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.90 1q8l h GLU 68 CO 0.04 0.15 -1.22 0.00 -1.00 0.00 0.00 179.01 176.97 1q8l h ALA 69 N 1.79 0.08 0.00 3.43 0.00 0.43 -3.19 119.26 121.80 1q8l h ALA 69 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.06 1q8l h ALA 69 Cb 1.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1q8l h ALA 69 CO 0.02 0.81 0.00 0.00 0.00 0.00 0.00 179.25 180.08 1q8l n MET 70 N -3.68 0.13 0.00 0.00 0.00 -0.49 -4.88 117.12 108.19 1q8l n MET 70 Ca -0.11 0.24 0.00 0.00 0.00 0.00 0.00 57.70 57.83 1q8l n MET 70 Cb 0.99 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 32.51 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 0.67 0.43 3.18 3.17 0.00 -1.20 -5.10 105.19 106.34 1q8l n GLY 71 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.21 3.52 0.17 1.61 0.40 0.44 -4.68 117.98 118.22 1q8l s PHE 72 Ca 0.00 -2.38 -0.33 0.00 -0.60 0.00 0.00 56.93 53.63 1q8l s PHE 72 Cb 0.00 -3.43 -0.16 0.00 0.51 0.00 0.00 43.02 39.94 1q8l s PHE 72 CO 0.00 -0.91 1.10 -2.30 0.70 0.00 0.00 175.22 173.81 1q8l n PRO 73 N 3.84 0.99 -4.01 0.24 -0.02 -1.26 -3.07 135.00 131.70 1q8l n PRO 73 Ca 0.07 0.35 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 1q8l n PRO 73 Cb 0.41 -1.81 -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 -0.27 2.34 -1.29 3.55 0.00 -1.26 -0.24 121.76 124.58 1q8l s ALA 74 Ca 0.73 -1.65 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 1q8l s ALA 74 Cb -0.89 -1.55 0.08 0.00 0.00 0.00 0.00 23.12 20.77 1q8l s ALA 74 CO 0.53 -1.23 1.72 1.19 0.00 0.00 0.00 175.76 177.97 1q8l n PHE 75 N 4.52 4.67 -2.80 0.00 3.72 0.07 -4.77 117.46 122.87 1q8l n PHE 75 Ca -0.12 -2.91 -0.32 0.00 -0.05 0.00 0.00 57.45 54.05 1q8l n PHE 75 Cb 0.43 -2.58 -0.05 0.00 -0.94 0.00 0.00 39.48 36.34 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 3.84 4.62 -0.25 -4.37 1.01 -1.26 -2.70 120.40 121.28 1q8l s VAL 76 Ca 0.52 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 1q8l s VAL 76 Cb 0.03 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1q8l s VAL 76 CO 0.06 -0.44 0.04 1.17 0.00 0.00 0.00 175.10 175.94 1q8l n LYS 77 N -1.01 -3.32 -1.84 2.72 4.81 -0.65 -4.88 118.16 114.00 1q8l n LYS 77 Ca 0.05 2.67 -0.42 0.00 -0.87 0.00 0.00 58.31 59.74 1q8l n LYS 77 Cb 0.54 -4.77 -0.03 0.00 0.02 0.00 0.00 35.03 30.78 1q8l n LYS 77 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1q8l s LYS 78 N -1.37 4.17 -0.04 1.64 -0.14 -1.26 -4.92 119.74 117.82 1q8l s LYS 78 Ca -0.05 2.46 -0.30 0.00 -1.36 0.00 0.00 55.97 56.72 1q8l s LYS 78 Cb 0.00 -3.39 -0.07 0.00 -1.68 0.00 0.00 37.83 32.69 1q8l s LYS 78 CO 0.69 -0.73 1.92 -1.14 -0.76 0.00 0.00 175.35 175.32 1q8l s GLN 79 N 2.01 3.97 0.00 1.68 2.00 -1.26 -5.00 119.66 123.07 1q8l s GLN 79 Ca 0.75 2.37 0.00 0.00 -2.00 0.00 0.00 55.36 56.48 1q8l s GLN 79 Cb -0.44 -4.15 0.00 0.00 0.80 0.00 0.00 33.01 29.22 1q8l s GLN 79 CO 0.33 -1.13 0.00 -0.35 -0.50 0.00 0.00 175.29 173.64 1q8l n PRO 80 N 7.65 0.00 -1.31 1.67 -0.04 -1.26 -4.71 135.00 137.00 1q8l n PRO 80 Ca 0.21 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1q8l n PRO 80 Cb 0.42 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.83 1q8l n PRO 80 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1q8l n LYS 81 N 0.00 -1.69 0.03 0.54 4.81 -1.26 -4.66 118.16 115.94 1q8l n LYS 81 Ca 0.00 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1q8l n LYS 81 Cb 0.00 -5.27 0.00 0.00 0.02 0.00 0.00 35.03 29.78 1q8l n LYS 81 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1q8l n TYR 82 N -2.15 -0.35 -0.08 5.64 4.01 -1.26 -4.86 117.16 118.11 1q8l n TYR 82 Ca -0.11 0.06 -0.14 0.00 -0.16 0.00 0.00 57.90 57.55 1q8l n TYR 82 Cb 0.58 0.19 -0.05 0.00 -0.31 0.00 0.00 39.34 39.75 1q8l n TYR 82 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1q8l h LEU 83 N 0.00 0.79 0.00 7.72 4.07 -1.92 -3.56 115.31 122.40 1q8l h LEU 83 Ca 0.00 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1q8l h LEU 83 Cb 0.00 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.51 1q8l h LEU 83 CO 0.00 1.15 0.00 0.29 -1.08 0.00 0.00 178.44 178.80