#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q s ARG 2 N 0.00 2.65 0.32 2.12 0.52 -1.25 -4.85 118.95 118.46 3i1q s ARG 2 Ca 0.00 -1.02 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 3i1q s ARG 2 Cb 0.00 -2.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 3i1q s ARG 2 CO 0.00 -0.53 0.45 -1.01 0.02 0.00 0.00 175.30 174.22 3i1q s HIS 3 N -2.58 3.15 0.23 -0.53 3.76 -1.26 -2.67 115.29 115.39 3i1q s HIS 3 Ca 0.57 -0.20 -0.06 0.00 -0.15 0.00 0.00 55.06 55.22 3i1q s HIS 3 Cb -0.10 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 3i1q s HIS 3 CO 0.36 0.06 0.30 0.71 -0.85 0.00 0.00 174.74 175.32 3i1q s TYR 4 N -2.16 0.84 -0.53 1.40 2.02 -0.15 -3.05 117.35 115.73 3i1q s TYR 4 Ca 0.43 -1.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.08 3i1q s TYR 4 Cb -0.09 -0.23 0.20 0.00 -0.40 0.00 0.00 41.96 41.45 3i1q s TYR 4 CO 0.31 -0.82 0.50 -1.91 -1.57 0.00 0.00 175.55 172.06 3i1q n GLU 5 N -0.34 1.20 -2.69 -0.62 2.13 -1.23 -2.23 120.64 116.86 3i1q n GLU 5 Ca 0.01 -3.82 -0.42 0.00 0.66 0.00 0.00 57.16 53.59 3i1q n GLU 5 Cb 0.64 -1.84 -0.03 0.00 0.27 0.00 0.00 31.44 30.48 3i1q n GLU 5 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3i1q s ILE 6 N -1.13 4.73 -0.39 6.31 1.01 -1.26 -3.84 121.20 126.62 3i1q s ILE 6 Ca 0.33 2.01 0.11 0.00 0.00 0.00 0.00 60.65 63.10 3i1q s ILE 6 Cb 0.07 -4.29 0.36 0.00 0.01 0.00 0.00 42.46 38.61 3i1q s ILE 6 CO -0.13 0.19 0.91 0.55 0.00 0.00 0.00 174.94 176.46 3i1q n VAL 7 N 3.66 0.04 -0.19 2.92 3.14 -0.89 -0.78 118.33 126.22 3i1q n VAL 7 Ca 0.05 -3.29 -0.27 0.00 -2.96 0.00 0.00 64.34 57.87 3i1q n VAL 7 Cb 0.50 0.45 0.26 0.00 -1.06 0.00 0.00 33.84 33.99 3i1q n VAL 7 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 3i1q n PHE 8 N 0.20 -3.59 -3.65 1.45 1.16 -1.23 -4.53 117.46 107.27 3i1q n PHE 8 Ca 0.16 -0.71 -0.08 0.00 -1.87 0.00 0.00 57.45 54.94 3i1q n PHE 8 Cb 0.71 -1.11 -0.08 0.00 -1.61 0.00 0.00 39.48 37.39 3i1q n PHE 8 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i1q s MET 9 N -4.82 0.64 0.21 3.97 0.23 -1.26 -2.41 119.30 115.87 3i1q s MET 9 Ca 0.59 1.10 0.09 0.00 -1.03 0.00 0.00 55.69 56.44 3i1q s MET 9 Cb -0.10 0.12 -0.04 0.00 -1.53 0.00 0.00 34.83 33.28 3i1q s MET 9 CO 0.49 -0.15 -0.05 0.08 -2.03 0.00 0.00 175.02 173.37 3i1q s VAL 10 N 1.47 3.37 0.21 5.16 1.01 0.02 -1.28 120.40 130.35 3i1q s VAL 10 Ca -0.09 -1.71 -0.31 0.00 0.00 0.00 0.00 61.98 59.87 3i1q s VAL 10 Cb -0.06 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.50 3i1q s VAL 10 CO -0.17 -0.20 1.52 -2.28 0.00 0.00 0.00 175.10 173.97 3i1q s HIS 11 N -1.93 3.02 0.58 5.22 2.46 -0.78 0.88 115.29 124.73 3i1q s HIS 11 Ca 0.28 0.79 0.28 0.00 0.47 0.00 0.00 55.06 56.88 3i1q s HIS 11 Cb -0.08 -3.90 1.49 0.00 -0.13 0.00 0.00 32.58 29.96 3i1q s HIS 11 CO 0.17 -3.16 1.94 -1.00 -2.47 0.00 0.00 174.74 170.23 3i1q h PRO 12 N 5.99 0.00 -0.34 2.88 0.13 -1.92 -1.42 132.00 137.33 3i1q h PRO 12 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 3i1q h PRO 12 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3i1q h PRO 12 CO 0.85 0.00 -0.24 -0.44 -0.23 0.00 0.00 178.00 177.94 3i1q h ASP 13 N 0.00 0.80 -0.57 1.44 3.32 -1.94 -3.01 116.42 116.45 3i1q h ASP 13 Ca 0.22 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3i1q h ASP 13 Cb 1.10 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3i1q h ASP 13 CO -0.00 1.06 0.00 1.67 -1.72 0.00 0.00 179.24 180.25 3i1q n GLN 14 N -4.26 4.46 -0.33 3.56 0.00 -0.63 -4.67 117.38 115.52 3i1q n GLN 14 Ca -0.03 -2.94 -0.00 0.00 -0.00 0.00 0.00 57.00 54.03 3i1q n GLN 14 Cb 0.45 -2.15 -0.00 0.00 0.00 0.00 0.00 30.24 28.54 3i1q n GLN 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3i1q n SER 15 N 0.72 3.50 0.00 1.69 2.88 -0.64 -2.76 113.62 119.01 3i1q n SER 15 Ca 0.26 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.87 3i1q n SER 15 Cb 1.09 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 3i1q n SER 15 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i1q n GLU 16 N 1.69 2.16 0.00 -1.46 4.71 -1.26 -4.54 120.64 121.94 3i1q n GLU 16 Ca 0.01 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.22 3i1q n GLU 16 Cb 0.33 -0.71 0.37 0.00 -1.01 0.00 0.00 31.44 30.42 3i1q n GLU 16 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 3i1q n GLN 17 N -1.01 0.92 0.00 3.49 0.00 -1.11 -4.45 117.38 115.22 3i1q n GLN 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3i1q n GLN 17 Cb 0.16 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.19 3i1q n GLN 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3i1q n VAL 18 N -0.71 0.00 0.25 1.69 0.31 -1.26 -1.42 118.33 117.19 3i1q n VAL 18 Ca 0.09 1.23 0.17 0.00 -0.01 0.00 0.00 64.34 65.82 3i1q n VAL 18 Cb 0.04 -1.97 0.89 0.00 -0.91 0.00 0.00 33.84 31.89 3i1q n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i1q h PRO 19 N 0.00 0.00 -0.69 5.55 0.13 -1.94 0.37 132.00 135.42 3i1q h PRO 19 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i1q h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i1q h PRO 19 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 3i1q n GLY 20 N -1.34 0.92 0.55 1.56 0.00 -0.51 -2.54 105.19 103.83 3i1q n GLY 20 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i1q n GLY 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i1q n MET 21 N 0.00 0.01 -0.26 1.61 2.81 0.12 -4.67 117.12 116.74 3i1q n MET 21 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 3i1q n MET 21 Cb 0.17 -0.74 0.04 0.00 -0.71 0.00 0.00 33.22 31.99 3i1q n MET 21 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3i1q h ILE 22 N -0.01 0.14 -0.72 2.02 5.03 -1.49 0.84 117.51 123.32 3i1q h ILE 22 Ca -0.01 0.00 0.15 0.00 -0.12 0.00 0.00 64.86 64.88 3i1q h ILE 22 Cb 1.01 0.14 -0.13 0.00 -3.03 0.00 0.00 36.82 34.81 3i1q h ILE 22 CO -0.01 0.00 -0.12 -0.08 -0.68 0.00 0.00 178.15 177.26 3i1q h GLU 23 N -0.08 0.03 0.54 2.37 4.57 -1.84 0.24 114.58 120.40 3i1q h GLU 23 Ca 0.30 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.46 3i1q h GLU 23 Cb 0.57 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 3i1q h GLU 23 CO -0.79 0.02 -0.43 0.00 -1.18 0.00 0.00 179.01 176.63 3i1q h ARG 24 N 0.03 -0.92 -0.91 1.92 -0.00 0.36 0.02 114.38 114.88 3i1q h ARG 24 Ca 0.36 0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.91 3i1q h ARG 24 Cb 0.59 0.21 -0.04 0.00 0.00 0.00 0.00 29.97 30.72 3i1q h ARG 24 CO -0.71 -0.61 0.57 1.88 0.00 0.00 0.00 179.97 181.10 3i1q h TYR 25 N -0.95 1.17 -0.17 3.04 0.99 0.58 -1.23 116.97 120.40 3i1q h TYR 25 Ca -0.06 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.60 3i1q h TYR 25 Cb 0.81 -0.39 -0.00 0.00 1.00 0.00 0.00 36.73 38.15 3i1q h TYR 25 CO -0.18 0.76 -0.22 1.79 -0.00 0.00 0.00 178.16 180.31 3i1q h THR 26 N 1.24 1.35 -0.99 -2.88 1.35 -0.60 -3.00 112.91 109.38 3i1q h THR 26 Ca 0.33 -1.42 0.22 0.00 -0.55 0.00 0.00 66.41 64.99 3i1q h THR 26 Cb -0.10 1.89 -0.09 0.00 -1.73 0.00 0.00 68.15 68.12 3i1q h THR 26 CO -0.07 0.43 0.63 0.00 -0.25 0.00 0.00 175.52 176.25 3i1q h ALA 27 N 0.60 1.98 0.48 6.62 0.00 -0.10 0.14 119.26 128.98 3i1q h ALA 27 Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i1q h ALA 27 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i1q h ALA 27 CO 0.05 -0.35 -0.25 0.00 0.00 0.00 0.00 179.25 178.70 3i1q h ALA 28 N 1.64 -1.15 0.64 0.00 0.00 -1.15 0.10 119.26 119.33 3i1q h ALA 28 Ca 0.56 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3i1q h ALA 28 Cb 1.17 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3i1q h ALA 28 CO -0.31 -1.11 -0.45 0.82 0.00 0.00 0.00 179.25 178.19 3i1q h ILE 29 N -0.68 0.09 -0.85 0.00 5.03 -1.09 0.46 117.51 120.47 3i1q h ILE 29 Ca -0.07 0.00 0.22 0.00 -0.12 0.00 0.00 64.86 64.89 3i1q h ILE 29 Cb 0.53 0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 34.36 3i1q h ILE 29 CO 0.09 0.00 0.59 0.71 -0.68 0.00 0.00 178.15 178.86 3i1q h THR 30 N -1.05 0.64 0.00 -0.27 1.35 -0.91 0.28 112.91 112.96 3i1q h THR 30 Ca -0.08 -0.07 -0.12 0.00 -0.55 0.00 0.00 66.41 65.59 3i1q h THR 30 Cb 0.86 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3i1q h THR 30 CO 0.04 0.04 -0.58 1.23 -0.25 0.00 0.00 175.52 176.00 3i1q h GLY 31 N 0.21 0.00 -2.69 5.82 0.00 0.57 -2.78 103.07 104.20 3i1q h GLY 31 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3i1q h GLY 31 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.45 3i1q n ALA 32 N -2.39 3.35 -2.06 3.60 0.00 0.75 -4.88 120.51 118.89 3i1q n ALA 32 Ca -0.01 -1.29 -0.17 0.00 0.00 0.00 0.00 53.44 51.97 3i1q n ALA 32 Cb 0.61 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 3i1q n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i1q n GLU 33 N 0.52 -1.28 -0.59 0.00 1.02 -1.00 -4.84 120.64 114.46 3i1q n GLU 33 Ca 0.19 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.23 3i1q n GLU 33 Cb 0.86 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 3i1q n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i1q n GLY 34 N -0.99 1.12 3.39 0.62 0.00 0.12 -4.99 105.19 104.47 3i1q n GLY 34 Ca -0.19 -1.99 0.02 0.00 0.00 0.00 0.00 46.02 43.86 3i1q n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1q s LYS 35 N -1.41 0.22 0.86 1.61 -2.85 -0.99 -4.06 119.74 113.12 3i1q s LYS 35 Ca 0.00 0.51 -0.11 0.00 -1.00 0.00 0.00 55.97 55.37 3i1q s LYS 35 Cb 0.00 0.27 0.11 0.00 -2.06 0.00 0.00 37.83 36.15 3i1q s LYS 35 CO 0.00 -0.07 1.16 0.96 0.10 0.00 0.00 175.35 177.50 3i1q s ILE 36 N 2.11 2.22 -0.11 3.79 -4.36 -1.26 -3.46 121.20 120.12 3i1q s ILE 36 Ca -0.03 0.08 0.22 0.00 -0.26 0.00 0.00 60.65 60.66 3i1q s ILE 36 Cb -0.04 -2.28 0.45 0.00 1.25 0.00 0.00 42.46 41.84 3i1q s ILE 36 CO -0.16 -0.08 1.16 1.41 0.24 0.00 0.00 174.94 177.51 3i1q n HIS 37 N -3.81 0.48 0.00 1.37 8.25 -1.12 -4.91 115.22 115.49 3i1q n HIS 37 Ca 0.12 -1.16 0.00 0.00 -0.26 0.00 0.00 57.72 56.42 3i1q n HIS 37 Cb 0.52 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.43 3i1q n HIS 37 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3i1q n ARG 38 N -0.09 0.00 0.00 -0.41 3.00 -1.25 -4.41 116.66 113.50 3i1q n ARG 38 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 3i1q n ARG 38 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.44 3i1q n ARG 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3i1q n LEU 39 N 0.00 0.00 -3.65 6.15 -0.00 -1.25 -4.71 117.00 113.54 3i1q n LEU 39 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 3i1q n LEU 39 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.25 3i1q n LEU 39 CO 0.00 0.00 -0.34 -1.61 -0.00 0.00 0.00 177.39 175.44 3i1q s GLU 40 N 0.00 0.14 -1.22 1.96 2.02 -1.26 -5.04 118.70 115.31 3i1q s GLU 40 Ca 0.00 -0.02 -0.13 0.00 0.02 0.00 0.00 54.97 54.83 3i1q s GLU 40 Cb 0.00 -1.56 -0.06 0.00 0.10 0.00 0.00 34.13 32.61 3i1q s GLU 40 CO 0.00 -0.58 2.31 -3.47 0.02 0.00 0.00 175.26 173.54 3i1q n ASP 41 N 5.25 4.97 -0.48 -0.19 4.64 -1.26 -2.98 116.55 126.49 3i1q n ASP 41 Ca -0.06 -2.63 0.42 0.00 -1.38 0.00 0.00 54.79 51.14 3i1q n ASP 41 Cb 0.49 -1.39 0.64 0.00 -1.04 0.00 0.00 41.12 39.82 3i1q n ASP 41 CO 0.00 0.00 0.00 0.79 -0.82 0.00 0.00 177.20 177.17 3i1q n TRP 42 N 5.41 0.00 -1.11 -0.67 7.02 -1.23 -4.88 117.44 121.98 3i1q n TRP 42 Ca 0.56 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 57.18 3i1q n TRP 42 Cb 0.30 -0.39 -0.06 0.00 -2.42 0.00 0.00 31.31 28.75 3i1q n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3i1q n GLY 43 N -1.83 -2.64 3.50 6.99 0.00 -1.22 -4.72 105.19 105.27 3i1q n GLY 43 Ca 0.35 -1.18 -0.50 0.00 0.00 0.00 0.00 46.02 44.69 3i1q n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1q n ARG 44 N -3.87 1.29 -4.31 1.61 1.74 -1.24 -3.52 116.66 108.35 3i1q n ARG 44 Ca -0.04 0.37 -0.32 0.00 -0.77 0.00 0.00 57.85 57.10 3i1q n ARG 44 Cb 0.52 -2.57 -0.09 0.00 -1.02 0.00 0.00 32.46 29.30 3i1q n ARG 44 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i1q s ARG 45 N 5.94 2.58 0.26 5.56 3.52 -0.75 -4.90 118.95 131.17 3i1q s ARG 45 Ca 1.07 -0.74 -0.31 0.00 -0.13 0.00 0.00 55.73 55.61 3i1q s ARG 45 Cb -0.78 -2.54 -0.12 0.00 -1.56 0.00 0.00 34.95 29.94 3i1q s ARG 45 CO 0.48 0.59 1.53 0.94 -0.81 0.00 0.00 175.30 178.03 3i1q n GLN 46 N 1.20 2.42 -3.06 5.12 -0.06 -1.26 -3.09 117.38 118.64 3i1q n GLN 46 Ca -0.14 0.86 -0.32 0.00 -2.00 0.00 0.00 57.00 55.40 3i1q n GLN 46 Cb 0.52 -2.60 -0.05 0.00 -4.06 0.00 0.00 30.24 24.05 3i1q n GLN 46 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3i1q s LEU 47 N -0.05 4.00 0.37 1.69 1.43 -1.26 -4.86 118.68 119.99 3i1q s LEU 47 Ca 0.67 1.23 0.13 0.00 -1.03 0.00 0.00 54.13 55.14 3i1q s LEU 47 Cb -0.57 -4.06 0.72 0.00 0.03 0.00 0.00 46.19 42.31 3i1q s LEU 47 CO 0.47 -0.26 1.81 0.00 0.23 0.00 0.00 176.35 178.60 3i1q h ALA 48 N 1.97 1.33 -2.31 4.21 0.00 -2.03 -3.46 119.26 118.98 3i1q h ALA 48 Ca -0.48 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.01 3i1q h ALA 48 Cb 1.18 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 3i1q h ALA 48 CO 0.65 0.48 0.00 1.52 0.00 0.00 0.00 179.25 181.90 3i1q s TYR 49 N -4.12 -0.44 -0.90 0.00 1.13 -1.26 -5.08 117.35 106.68 3i1q s TYR 49 Ca -0.03 0.66 -0.24 0.00 -1.41 0.00 0.00 57.07 56.05 3i1q s TYR 49 Cb 0.14 0.29 -0.19 0.00 -1.10 0.00 0.00 41.96 41.11 3i1q s TYR 49 CO 0.72 -0.56 2.20 -2.30 -2.51 0.00 0.00 175.55 173.11 3i1q n PRO 50 N 0.85 0.29 -3.30 -3.49 -0.02 -1.26 -4.92 135.00 123.15 3i1q n PRO 50 Ca -0.19 -1.17 -0.38 0.00 -2.02 0.00 0.00 63.50 59.73 3i1q n PRO 50 Cb 0.58 -3.57 -0.06 0.00 -0.02 0.00 0.00 33.50 30.42 3i1q n PRO 50 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3i1q s ILE 51 N 14.76 5.18 -2.05 4.25 2.07 -1.26 -4.10 121.20 140.05 3i1q s ILE 51 Ca 0.85 0.95 0.00 0.00 -1.41 0.00 0.00 60.65 61.05 3i1q s ILE 51 Cb -0.12 -3.82 0.00 0.00 0.13 0.00 0.00 42.46 38.65 3i1q s ILE 51 CO 0.15 0.30 0.00 -3.20 -1.91 0.00 0.00 174.94 170.28 3i1q n ASN 52 N 3.86 -5.42 -0.87 4.50 2.85 -1.26 -4.49 115.26 114.43 3i1q n ASN 52 Ca -0.07 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 3i1q n ASN 52 Cb 0.51 -4.63 0.00 0.00 1.24 0.00 0.00 39.78 36.90 3i1q n ASN 52 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 3i1q n LYS 53 N -2.49 -2.40 -0.97 1.20 3.00 -1.26 -5.05 118.16 110.19 3i1q n LYS 53 Ca -0.20 1.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.93 3i1q n LYS 53 Cb 0.65 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.52 3i1q n LYS 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i1q n LEU 54 N -1.54 -2.48 -4.95 3.14 -0.00 -1.26 -5.04 117.00 104.87 3i1q n LEU 54 Ca 0.00 1.82 -0.21 0.00 -0.00 0.00 0.00 56.01 57.63 3i1q n LEU 54 Cb 0.13 -1.36 0.00 0.00 -0.00 0.00 0.00 43.42 42.20 3i1q n LEU 54 CO 0.00 0.10 0.12 -1.38 -0.00 0.00 0.00 177.39 176.23 3i1q s HIS 55 N -2.51 2.26 0.06 1.96 0.00 -1.26 -4.40 115.29 111.40 3i1q s HIS 55 Ca 0.00 -0.58 0.00 0.00 -3.00 0.00 0.00 55.06 51.48 3i1q s HIS 55 Cb 0.00 -2.18 0.00 0.00 -4.00 0.00 0.00 32.58 26.40 3i1q s HIS 55 CO 0.00 -0.48 0.00 1.63 -1.00 0.00 0.00 174.74 174.89 3i1q n LYS 56 N -1.81 -1.78 -4.26 -0.38 5.02 -1.26 -4.91 118.16 108.79 3i1q n LYS 56 Ca 0.06 1.60 -0.14 0.00 -2.02 0.00 0.00 58.31 57.82 3i1q n LYS 56 Cb 0.62 -1.41 -0.10 0.00 -0.02 0.00 0.00 35.03 34.11 3i1q n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1q s ALA 57 N -0.17 1.42 -0.52 7.82 0.00 -1.18 -4.28 121.76 124.85 3i1q s ALA 57 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.05 3i1q s ALA 57 Cb 0.00 1.08 0.11 0.00 0.00 0.00 0.00 23.12 24.31 3i1q s ALA 57 CO 0.00 -0.49 0.50 -1.58 0.00 0.00 0.00 175.76 174.19 3i1q s HIS 58 N -3.90 3.21 0.62 0.00 2.46 0.25 -1.80 115.29 116.14 3i1q s HIS 58 Ca 0.35 -1.12 -0.14 0.00 0.47 0.00 0.00 55.06 54.63 3i1q s HIS 58 Cb 0.07 -3.63 -0.03 0.00 -0.13 0.00 0.00 32.58 28.87 3i1q s HIS 58 CO 0.11 -0.98 1.04 0.71 -2.47 0.00 0.00 174.74 173.15 3i1q s TYR 59 N 1.77 3.19 -0.42 3.88 1.51 -1.23 -0.80 117.35 125.24 3i1q s TYR 59 Ca 0.05 1.45 0.07 0.00 -1.01 0.00 0.00 57.07 57.62 3i1q s TYR 59 Cb -0.27 -2.89 0.18 0.00 -0.11 0.00 0.00 41.96 38.86 3i1q s TYR 59 CO 0.05 -0.98 0.59 0.08 -1.11 0.00 0.00 175.55 174.18 3i1q s VAL 60 N -2.78 -0.83 1.13 0.71 1.01 -1.01 -3.46 120.40 115.17 3i1q s VAL 60 Ca 0.60 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 3i1q s VAL 60 Cb -0.14 -0.16 0.26 0.00 0.00 0.00 0.00 36.38 36.34 3i1q s VAL 60 CO 0.44 -0.15 1.05 -0.22 0.00 0.00 0.00 175.10 176.22 3i1q s LEU 61 N 1.54 0.92 0.00 3.92 2.96 -1.16 -3.55 118.68 123.32 3i1q s LEU 61 Ca 0.19 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.39 3i1q s LEU 61 Cb -0.05 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.39 3i1q s LEU 61 CO -0.06 -3.92 0.00 0.80 -1.32 0.00 0.00 176.35 171.85 3i1q n MET 62 N -4.71 0.00 -1.96 1.98 1.56 0.04 -4.02 117.12 110.01 3i1q n MET 62 Ca 0.04 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.45 3i1q n MET 62 Cb 0.56 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.91 3i1q n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3i1q n ASN 63 N -0.13 -1.87 -4.06 6.12 4.13 -1.24 -3.88 115.26 114.32 3i1q n ASN 63 Ca 0.00 0.56 -0.08 0.00 1.68 0.00 0.00 54.58 56.75 3i1q n ASN 63 Cb 0.00 -2.77 -0.10 0.00 -1.54 0.00 0.00 39.78 35.36 3i1q n ASN 63 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3i1q s VAL 64 N -0.35 0.20 -0.26 2.41 1.01 -0.95 -2.79 120.40 119.68 3i1q s VAL 64 Ca -0.10 -1.58 -0.05 0.00 0.00 0.00 0.00 61.98 60.25 3i1q s VAL 64 Cb 0.01 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3i1q s VAL 64 CO 0.33 -0.87 0.01 -0.70 0.00 0.00 0.00 175.10 173.87 3i1q s GLU 65 N -3.29 3.21 0.06 2.72 2.12 -1.23 -0.98 118.70 121.31 3i1q s GLU 65 Ca 0.01 -0.76 -0.17 0.00 0.36 0.00 0.00 54.97 54.42 3i1q s GLU 65 Cb 0.03 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.28 3i1q s GLU 65 CO -0.08 -0.32 0.38 0.00 -0.54 0.00 0.00 175.26 174.70 3i1q s ALA 66 N 1.47 -0.90 0.49 6.30 0.00 -1.09 -2.34 121.76 125.69 3i1q s ALA 66 Ca 0.04 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.92 3i1q s ALA 66 Cb -0.16 0.40 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 3i1q s ALA 66 CO -0.01 -0.48 1.31 -1.25 0.00 0.00 0.00 175.76 175.34 3i1q s PRO 67 N -2.76 3.48 -1.10 0.00 0.04 -1.26 -3.77 135.00 129.63 3i1q s PRO 67 Ca -0.04 2.13 -0.25 0.00 0.04 0.00 0.00 61.00 62.89 3i1q s PRO 67 Cb -0.00 -2.42 -0.16 0.00 0.04 0.00 0.00 34.50 31.95 3i1q s PRO 67 CO -0.04 -0.88 2.06 1.14 0.04 0.00 0.00 177.00 179.31 3i1q s GLN 68 N -2.70 1.73 0.00 4.56 0.00 -1.26 -3.42 119.66 118.58 3i1q s GLN 68 Ca 0.66 -0.65 0.00 0.00 -0.00 0.00 0.00 55.36 55.37 3i1q s GLN 68 Cb -0.38 -5.07 0.00 0.00 0.00 0.00 0.00 33.01 27.56 3i1q s GLN 68 CO 0.46 -4.81 0.00 -1.91 0.00 0.00 0.00 175.29 169.02 3i1q n GLU 69 N 8.28 0.00 0.09 9.60 0.00 -1.26 -4.90 120.64 132.45 3i1q n GLU 69 Ca 0.43 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.66 3i1q n GLU 69 Cb 0.47 0.00 0.53 0.00 0.00 0.00 0.00 31.44 32.44 3i1q n GLU 69 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 3i1q h VAL 70 N 0.00 1.02 -0.81 6.31 -1.51 -1.95 0.95 116.25 120.27 3i1q h VAL 70 Ca 0.00 -0.10 0.05 0.00 -1.23 0.00 0.00 66.70 65.42 3i1q h VAL 70 Cb 0.00 0.70 -0.06 0.00 -2.13 0.00 0.00 31.29 29.81 3i1q h VAL 70 CO 0.00 0.05 0.50 -0.29 -1.23 0.00 0.00 177.57 176.60 3i1q h ILE 71 N 0.29 1.06 -0.10 7.19 6.09 -1.91 0.45 117.51 130.59 3i1q h ILE 71 Ca 0.11 -0.32 -0.21 0.00 -1.37 0.00 0.00 64.86 63.07 3i1q h ILE 71 Cb 0.08 0.04 0.01 0.00 0.47 0.00 0.00 36.82 37.43 3i1q h ILE 71 CO -0.02 0.17 -0.74 -0.78 -3.07 0.00 0.00 178.15 173.70 3i1q h ASP 72 N 0.93 0.83 0.00 2.19 3.58 -0.69 -2.22 116.42 121.04 3i1q h ASP 72 Ca 0.34 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 57.13 3i1q h ASP 72 Cb 0.12 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.92 3i1q h ASP 72 CO -0.15 1.36 0.10 -0.08 -2.88 0.00 0.00 179.24 177.59 3i1q h GLU 73 N 0.35 0.00 0.13 0.28 4.81 0.13 -1.46 114.58 118.82 3i1q h GLU 73 Ca -0.06 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.84 3i1q h GLU 73 Cb 1.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 3i1q h GLU 73 CO 0.15 0.00 -1.68 1.25 -0.73 0.00 0.00 179.01 178.01 3i1q h LEU 74 N 0.00 0.42 -1.88 1.64 5.85 0.29 -3.30 115.31 118.33 3i1q h LEU 74 Ca 0.00 -0.88 0.01 0.00 0.84 0.00 0.00 57.88 57.85 3i1q h LEU 74 Cb 0.20 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3i1q h LEU 74 CO 0.00 1.73 0.11 -0.33 -0.34 0.00 0.00 178.44 179.61 3i1q h GLU 75 N -0.14 0.16 0.41 1.25 5.08 -0.69 -2.46 114.58 118.19 3i1q h GLU 75 Ca -0.36 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 3i1q h GLU 75 Cb 1.90 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.12 3i1q h GLU 75 CO 0.08 0.10 -0.20 1.79 -1.00 0.00 0.00 179.01 179.78 3i1q h THR 76 N 0.16 0.00 -0.31 1.13 1.35 -1.51 -2.58 112.91 111.14 3i1q h THR 76 Ca 0.07 -0.05 0.09 0.00 -0.55 0.00 0.00 66.41 65.96 3i1q h THR 76 Cb 0.07 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.47 3i1q h THR 76 CO -0.01 0.00 0.46 0.71 -0.25 0.00 0.00 175.52 176.43 3i1q h THR 77 N -0.61 0.24 -0.92 6.82 1.35 -1.62 0.85 112.91 119.03 3i1q h THR 77 Ca -0.06 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.81 3i1q h THR 77 Cb 0.42 0.61 -0.05 0.00 -1.73 0.00 0.00 68.15 67.40 3i1q h THR 77 CO 0.09 0.00 0.61 -0.26 -0.25 0.00 0.00 175.52 175.71 3i1q h PHE 78 N 0.00 1.15 0.00 4.73 0.05 -1.04 -1.46 116.94 120.37 3i1q h PHE 78 Ca 0.15 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.94 3i1q h PHE 78 Cb 1.07 -0.39 -0.00 0.00 2.00 0.00 0.00 35.95 38.63 3i1q h PHE 78 CO 0.00 0.72 -0.16 0.00 -0.18 0.00 0.00 178.31 178.69 3i1q h ARG 79 N 1.24 0.00 -0.59 1.51 2.47 0.84 -3.37 114.38 116.48 3i1q h ARG 79 Ca 0.34 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 59.18 3i1q h ARG 79 Cb -0.14 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.07 3i1q h ARG 79 CO -0.07 0.93 -0.10 0.35 0.56 0.00 0.00 179.97 181.63 3i1q h PHE 80 N -1.00 -0.22 -3.16 3.04 3.57 -1.24 -3.39 116.94 114.53 3i1q h PHE 80 Ca -0.04 0.05 -0.53 0.00 3.53 0.00 0.00 57.97 60.98 3i1q h PHE 80 Cb 0.97 0.19 0.02 0.00 2.79 0.00 0.00 35.95 39.91 3i1q h PHE 80 CO 0.23 -0.22 0.64 1.21 -2.23 0.00 0.00 178.31 177.94 3i1q s ASN 81 N -5.23 6.95 0.16 0.41 3.84 -0.55 -4.91 114.94 115.61 3i1q s ASN 81 Ca -0.14 2.21 0.23 0.00 0.21 0.00 0.00 52.86 55.37 3i1q s ASN 81 Cb 0.18 -2.59 0.13 0.00 -0.55 0.00 0.00 41.25 38.43 3i1q s ASN 81 CO 0.73 -0.54 1.15 0.44 -2.79 0.00 0.00 177.10 176.08 3i1q h ASP 82 N 6.51 0.00 0.14 -4.21 3.32 -1.88 -3.35 116.42 116.95 3i1q h ASP 82 Ca -0.42 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 3i1q h ASP 82 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3i1q h ASP 82 CO 0.82 0.06 -0.07 0.00 -1.72 0.00 0.00 179.24 178.33 3i1q h ALA 83 N 2.23 -0.19 -2.84 3.45 0.00 -1.94 -3.43 119.26 116.54 3i1q h ALA 83 Ca 0.00 -0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 3i1q h ALA 83 Cb 0.88 0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.80 3i1q h ALA 83 CO 0.00 -0.40 0.58 0.54 0.00 0.00 0.00 179.25 179.97 3i1q s VAL 84 N -4.46 2.94 0.21 0.00 0.11 -1.26 -1.87 120.40 116.07 3i1q s VAL 84 Ca -0.15 0.92 0.01 0.00 -2.93 0.00 0.00 61.98 59.83 3i1q s VAL 84 Cb 0.02 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.30 3i1q s VAL 84 CO 0.60 0.19 0.05 2.30 -3.33 0.00 0.00 175.10 174.91 3i1q n ILE 85 N 0.72 0.00 0.00 7.04 -5.35 -0.40 -4.92 119.36 116.45 3i1q n ILE 85 Ca 0.01 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.37 3i1q n ILE 85 Cb 0.43 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 3i1q n ILE 85 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3i1q n ARG 86 N -0.48 0.00 -0.42 6.28 0.00 -1.26 -4.01 116.66 116.77 3i1q n ARG 86 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 3i1q n ARG 86 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.75 3i1q n ARG 86 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3i1q n SER 87 N 0.00 0.00 -3.65 6.15 3.41 -1.26 -4.53 113.62 113.74 3i1q n SER 87 Ca 0.00 -0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 58.08 3i1q n SER 87 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3i1q n SER 87 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3i1q s MET 88 N 0.10 0.05 0.10 4.33 0.00 -1.26 -4.95 119.30 117.68 3i1q s MET 88 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 55.69 55.80 3i1q s MET 88 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 34.83 34.82 3i1q s MET 88 CO 0.00 -0.01 -0.19 0.54 0.00 0.00 0.00 175.02 175.36 3i1q s VAL 89 N -0.44 1.59 0.00 10.11 0.11 -1.26 -2.11 120.40 128.40 3i1q s VAL 89 Ca 0.08 -1.54 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 3i1q s VAL 89 Cb -0.03 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 3i1q s VAL 89 CO -0.12 -0.13 0.00 0.23 -3.33 0.00 0.00 175.10 171.75 3i1q n MET 90 N 1.03 0.00 -2.15 1.54 2.81 -1.25 -4.93 117.12 114.18 3i1q n MET 90 Ca -0.19 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.37 3i1q n MET 90 Cb 0.54 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.05 3i1q n MET 90 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3i1q s ARG 91 N 4.53 3.50 0.00 0.03 6.06 -1.26 -4.14 118.95 127.67 3i1q s ARG 91 Ca 0.00 1.14 0.00 0.00 -2.50 0.00 0.00 55.73 54.37 3i1q s ARG 91 Cb 0.00 -2.06 0.00 0.00 0.06 0.00 0.00 34.95 32.95 3i1q s ARG 91 CO 0.00 -0.66 0.00 2.41 -2.50 0.00 0.00 175.30 174.55 3i1q n THR 92 N -1.89 0.00 -3.94 4.11 -1.04 -1.17 -3.47 114.28 106.88 3i1q n THR 92 Ca 0.08 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.84 3i1q n THR 92 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 3i1q n THR 92 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3i1q n LYS 93 N 0.00 -3.37 -2.27 -2.82 2.85 -1.26 -4.36 118.16 106.93 3i1q n LYS 93 Ca 0.00 0.42 -0.01 0.00 -1.05 0.00 0.00 58.31 57.67 3i1q n LYS 93 Cb 0.00 -4.56 -0.00 0.00 -0.65 0.00 0.00 35.03 29.82 3i1q n LYS 93 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3i1q n HIS 94 N -4.39 -4.43 -0.64 5.58 8.25 -1.26 -4.95 115.22 113.37 3i1q n HIS 94 Ca -0.31 2.63 -0.32 0.00 -0.26 0.00 0.00 57.72 59.46 3i1q n HIS 94 Cb 0.69 -3.71 0.19 0.00 1.12 0.00 0.00 29.99 28.27 3i1q n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1q n ALA 95 N 1.68 -3.92 -3.12 -1.41 0.00 -1.26 -5.04 120.51 107.44 3i1q n ALA 95 Ca -0.04 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.15 3i1q n ALA 95 Cb 0.06 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3i1q n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1q n VAL 96 N -4.50 0.00 -3.68 0.00 0.24 -1.26 -5.14 118.33 103.99 3i1q n VAL 96 Ca 0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 3i1q n VAL 96 Cb 0.61 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.94 3i1q n VAL 96 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i1q s THR 97 N -1.32 0.05 0.00 3.34 2.01 -1.26 -4.55 115.64 113.91 3i1q s THR 97 Ca 0.00 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.33 3i1q s THR 97 Cb 0.00 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.15 3i1q s THR 97 CO 0.00 -0.21 0.00 -1.84 -0.69 0.00 0.00 174.62 171.88 3i1q n GLU 98 N -0.28 0.00 0.00 4.92 0.28 -1.26 -5.02 120.64 119.28 3i1q n GLU 98 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 3i1q n GLU 98 Cb 0.63 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.50 3i1q n GLU 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i1q n ALA 99 N 8.10 0.00 0.00 -1.84 0.00 -1.26 -5.11 120.51 120.40 3i1q n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1q n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1q n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93