#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q s ILE 3 N 0.00 3.89 -0.30 -1.44 1.01 -1.26 -4.68 121.20 118.41 3i1q s ILE 3 Ca 0.00 0.74 -0.10 0.00 0.00 0.00 0.00 60.65 61.30 3i1q s ILE 3 Cb 0.00 -4.66 0.18 0.00 0.01 0.00 0.00 42.46 38.00 3i1q s ILE 3 CO 0.00 -1.37 0.99 -0.75 0.00 0.00 0.00 174.94 173.82 3i1q s LYS 4 N 5.29 0.20 0.00 2.79 2.36 -1.26 -5.07 119.74 124.04 3i1q s LYS 4 Ca 0.45 0.23 0.00 0.00 -2.55 0.00 0.00 55.97 54.10 3i1q s LYS 4 Cb -0.09 0.11 0.00 0.00 -1.05 0.00 0.00 37.83 36.81 3i1q s LYS 4 CO 0.24 -0.34 0.00 0.45 1.55 0.00 0.00 175.35 177.25 3i1q n SER 5 N 5.22 0.00 -1.29 1.43 2.88 -1.26 -0.57 113.62 120.02 3i1q n SER 5 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3i1q n SER 5 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3i1q n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1q n ALA 6 N 0.00 1.91 0.97 -1.46 0.00 -1.26 -2.77 120.51 117.89 3i1q n ALA 6 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3i1q n ALA 6 Cb 0.00 -1.25 0.60 0.00 0.00 0.00 0.00 19.45 18.80 3i1q n ALA 6 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3i1q n LYS 7 N 1.21 0.02 0.04 0.00 2.85 0.26 -2.33 118.16 120.20 3i1q n LYS 7 Ca 0.00 0.02 0.13 0.00 -1.05 0.00 0.00 58.31 57.41 3i1q n LYS 7 Cb 0.13 -1.52 0.43 0.00 -0.65 0.00 0.00 35.03 33.42 3i1q n LYS 7 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 3i1q n LYS 8 N -1.56 0.12 -0.11 -1.58 2.85 -1.11 -3.49 118.16 113.28 3i1q n LYS 8 Ca 0.07 0.08 -0.13 0.00 -1.05 0.00 0.00 58.31 57.27 3i1q n LYS 8 Cb 0.35 -1.62 -0.03 0.00 -0.65 0.00 0.00 35.03 33.08 3i1q n LYS 8 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 3i1q h ARG 9 N 0.00 0.79 0.00 -1.58 9.65 -1.73 -2.22 114.38 119.29 3i1q h ARG 9 Ca 0.00 -0.40 -0.04 0.00 -1.10 0.00 0.00 59.98 58.44 3i1q h ARG 9 Cb 0.61 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.19 3i1q h ARG 9 CO 0.00 1.03 -0.19 0.00 2.80 0.00 0.00 179.97 183.61 3i1q h ALA 10 N 0.75 0.96 0.00 2.80 0.00 -1.68 -1.84 119.26 120.24 3i1q h ALA 10 Ca 0.06 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3i1q h ALA 10 Cb 0.86 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3i1q h ALA 10 CO 0.07 0.23 -0.87 -0.84 0.00 0.00 0.00 179.25 177.85 3i1q h ILE 11 N 0.00 1.35 0.08 0.00 3.07 -1.63 -3.24 117.51 117.13 3i1q h ILE 11 Ca -0.00 -2.93 -0.00 0.00 1.55 0.00 0.00 64.86 63.47 3i1q h ILE 11 Cb 0.84 2.66 0.00 0.00 -0.27 0.00 0.00 36.82 40.05 3i1q h ILE 11 CO 0.02 0.77 -0.04 -0.61 -1.05 0.00 0.00 178.15 177.24 3i1q h GLN 12 N 0.00 -0.10 0.00 0.16 4.15 -0.95 -2.35 115.11 116.01 3i1q h GLN 12 Ca -0.03 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3i1q h GLN 12 Cb 1.64 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.35 3i1q h GLN 12 CO 0.10 0.32 0.00 -1.13 -1.93 0.00 0.00 178.83 176.19 3i1q n SER 13 N -4.93 0.00 -0.10 -0.69 3.41 -0.73 -1.73 113.62 108.84 3i1q n SER 13 Ca -0.08 -0.22 -0.23 0.00 -0.26 0.00 0.00 58.87 58.07 3i1q n SER 13 Cb 0.24 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.06 3i1q n SER 13 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i1q n GLU 14 N -1.01 0.63 -0.19 4.33 0.00 -0.92 -1.80 120.64 121.67 3i1q n GLU 14 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.53 3i1q n GLU 14 Cb 0.03 -1.60 0.10 0.00 0.00 0.00 0.00 31.44 29.97 3i1q n GLU 14 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3i1q h LYS 15 N -0.53 0.27 0.06 5.31 3.11 -1.09 -1.96 116.57 121.74 3i1q h LYS 15 Ca -0.53 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.30 3i1q h LYS 15 Cb 1.70 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.84 3i1q h LYS 15 CO -0.19 0.18 -0.28 0.00 -2.81 0.00 0.00 179.45 176.35 3i1q h ALA 16 N 1.46 -0.79 -0.69 5.00 0.00 -1.47 -1.53 119.26 121.24 3i1q h ALA 16 Ca 0.31 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.23 3i1q h ALA 16 Cb 0.44 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3i1q h ALA 16 CO -0.38 -0.86 -0.39 -2.13 0.00 0.00 0.00 179.25 175.49 3i1q n ARG 17 N -4.06 -0.28 0.10 0.00 0.00 -0.75 0.30 116.66 111.98 3i1q n ARG 17 Ca -0.04 1.05 -0.12 0.00 -0.00 0.00 0.00 57.85 58.73 3i1q n ARG 17 Cb 0.22 -1.54 -0.05 0.00 0.00 0.00 0.00 32.46 31.08 3i1q n ARG 17 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 3i1q h LYS 18 N 0.00 -0.42 0.00 -0.14 1.57 -1.20 0.12 116.57 116.50 3i1q h LYS 18 Ca 0.13 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3i1q h LYS 18 Cb 0.30 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3i1q h LYS 18 CO -0.66 -0.28 0.00 1.58 -0.57 0.00 0.00 179.45 179.52 3i1q n HIS 19 N -5.37 0.00 -0.32 -1.35 -0.00 0.15 -1.03 115.22 107.30 3i1q n HIS 19 Ca -0.06 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.20 3i1q n HIS 19 Cb 0.28 0.00 0.19 0.00 -0.12 0.00 0.00 29.99 30.34 3i1q n HIS 19 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 3i1q h ASN 20 N 0.00 -0.62 -0.74 0.26 -0.26 -1.35 -1.96 115.58 110.91 3i1q h ASN 20 Ca 0.00 0.26 0.07 0.00 -0.56 0.00 0.00 56.30 56.07 3i1q h ASN 20 Cb 0.00 0.49 -0.10 0.00 -1.06 0.00 0.00 38.32 37.65 3i1q h ASN 20 CO 0.00 -0.29 -0.53 0.00 -1.06 0.00 0.00 177.43 175.55 3i1q h ALA 21 N 1.89 -0.57 0.12 -0.83 0.00 0.97 0.78 119.26 121.62 3i1q h ALA 21 Ca 0.49 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.49 3i1q h ALA 21 Cb 0.87 1.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.90 3i1q h ALA 21 CO -0.88 -0.91 -0.22 0.66 0.00 0.00 0.00 179.25 177.90 3i1q h SER 22 N -0.11 -0.62 -0.16 0.00 4.64 -0.43 -1.83 113.55 115.05 3i1q h SER 22 Ca 0.12 0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3i1q h SER 22 Cb 0.42 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3i1q h SER 22 CO -0.76 -0.31 0.07 0.03 -0.87 0.00 0.00 176.83 174.99 3i1q h ARG 23 N -0.42 0.15 -0.22 4.77 2.47 -1.06 -0.01 114.38 120.06 3i1q h ARG 23 Ca 0.03 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.80 3i1q h ARG 23 Cb 0.44 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3i1q h ARG 23 CO -0.12 0.10 0.30 -0.09 0.56 0.00 0.00 179.97 180.72 3i1q h ARG 24 N 0.15 0.00 0.09 0.04 2.43 0.66 -0.29 114.38 117.47 3i1q h ARG 24 Ca 0.06 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i1q h ARG 24 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3i1q h ARG 24 CO -0.05 0.00 -0.04 1.03 -1.51 0.00 0.00 179.97 179.39 3i1q h SER 25 N 0.00 -0.10 -0.98 -3.80 0.87 -0.11 -3.23 113.55 106.20 3i1q h SER 25 Ca 0.10 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.79 3i1q h SER 25 Cb 0.71 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 3i1q h SER 25 CO -0.00 -0.03 0.62 0.00 -0.53 0.00 0.00 176.83 176.89 3i1q h MET 26 N -0.20 0.91 -0.51 2.24 -0.00 -1.38 0.10 114.93 116.08 3i1q h MET 26 Ca -0.01 -0.05 0.05 0.00 -0.00 0.00 0.00 59.70 59.68 3i1q h MET 26 Cb 0.09 -0.20 -0.06 0.00 -0.00 0.00 0.00 31.60 31.43 3i1q h MET 26 CO 0.02 0.60 -0.30 -0.12 -0.00 0.00 0.00 176.91 177.11 3i1q n MET 27 N -4.61 -0.22 0.07 -0.10 0.00 -0.13 -0.39 117.12 111.73 3i1q n MET 27 Ca 0.19 0.81 -0.21 0.00 0.00 0.00 0.00 57.70 58.48 3i1q n MET 27 Cb 0.38 -1.19 -0.13 0.00 0.00 0.00 0.00 33.22 32.28 3i1q n MET 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 3i1q h ARG 28 N 0.00 0.55 -0.90 2.12 0.11 -1.01 -3.20 114.38 112.04 3i1q h ARG 28 Ca 0.08 -0.73 0.14 0.00 0.10 0.00 0.00 59.98 59.57 3i1q h ARG 28 Cb 0.21 0.24 -0.09 0.00 1.11 0.00 0.00 29.97 31.44 3i1q h ARG 28 CO -0.48 1.32 0.52 1.79 0.10 0.00 0.00 179.97 183.22 3i1q h THR 29 N 0.12 0.80 -0.84 0.08 1.35 -0.41 1.24 112.91 115.24 3i1q h THR 29 Ca -0.16 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3i1q h THR 29 Cb 1.78 -0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.13 3i1q h THR 29 CO 0.21 0.14 0.51 -0.26 -0.25 0.00 0.00 175.52 175.86 3i1q h PHE 30 N 0.76 1.11 -0.35 4.73 0.05 -0.78 -0.68 116.94 121.78 3i1q h PHE 30 Ca 0.48 -0.00 -0.14 0.00 3.82 0.00 0.00 57.97 62.13 3i1q h PHE 30 Cb 0.60 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 3i1q h PHE 30 CO -0.05 0.74 -0.32 0.82 -0.18 0.00 0.00 178.31 179.31 3i1q h ILE 31 N 1.16 1.28 -0.14 -0.55 2.04 -0.59 -2.60 117.51 118.12 3i1q h ILE 31 Ca 0.30 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 64.73 3i1q h ILE 31 Cb -0.05 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3i1q h ILE 31 CO -0.06 0.49 0.22 0.11 0.00 0.00 0.00 178.15 178.91 3i1q h LYS 32 N 0.66 0.00 -0.10 2.37 1.79 0.29 0.13 116.57 121.70 3i1q h LYS 32 Ca 0.07 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.39 3i1q h LYS 32 Cb 0.86 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 3i1q h LYS 32 CO 0.08 0.00 -0.58 0.87 -1.08 0.00 0.00 179.45 178.74 3i1q h LYS 33 N 0.00 0.32 0.02 3.15 1.79 -0.96 -2.04 116.57 118.85 3i1q h LYS 33 Ca 0.07 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3i1q h LYS 33 Cb 0.51 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 3i1q h LYS 33 CO -0.00 0.81 -0.01 0.28 -1.08 0.00 0.00 179.45 179.45 3i1q h VAL 34 N 0.24 1.43 -1.00 0.50 2.07 -0.84 -2.46 116.25 116.18 3i1q h VAL 34 Ca -0.00 -1.47 0.23 0.00 0.82 0.00 0.00 66.70 66.28 3i1q h VAL 34 Cb 1.08 2.40 -0.12 0.00 -1.52 0.00 0.00 31.29 33.13 3i1q h VAL 34 CO 0.09 0.37 0.60 0.22 0.02 0.00 0.00 177.57 178.88 3i1q h TYR 35 N -0.68 1.03 -0.52 1.57 3.20 -1.49 -0.60 116.97 119.49 3i1q h TYR 35 Ca -0.00 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3i1q h TYR 35 Cb 0.63 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3i1q h TYR 35 CO 0.14 0.13 -0.01 0.00 -1.64 0.00 0.00 178.16 176.78 3i1q h ALA 36 N 1.70 0.99 0.80 1.82 0.00 -1.29 -0.87 119.26 122.41 3i1q h ALA 36 Ca 0.62 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3i1q h ALA 36 Cb 1.11 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3i1q h ALA 36 CO -0.44 0.61 -0.38 0.00 0.00 0.00 0.00 179.25 179.04 3i1q h ALA 37 N 1.16 -1.07 0.42 0.00 0.00 -0.67 -1.86 119.26 117.24 3i1q h ALA 37 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i1q h ALA 37 Cb 0.51 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3i1q h ALA 37 CO 0.03 -1.02 -0.42 0.82 0.00 0.00 0.00 179.25 178.65 3i1q h ILE 38 N -1.24 0.15 -0.62 0.00 1.08 -1.17 1.56 117.51 117.27 3i1q h ILE 38 Ca -0.11 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 3i1q h ILE 38 Cb 0.83 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 3i1q h ILE 38 CO 0.18 0.00 0.41 -0.08 -0.69 0.00 0.00 178.15 177.97 3i1q h GLU 39 N -0.86 0.66 0.17 2.37 4.81 -1.27 -2.58 114.58 117.88 3i1q h GLU 39 Ca -0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3i1q h GLU 39 Cb 0.76 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3i1q h GLU 39 CO -0.07 0.44 -0.08 0.00 -0.73 0.00 0.00 179.01 178.57 3i1q h ALA 40 N 1.65 -0.23 0.00 2.92 0.00 -0.96 -3.50 119.26 119.14 3i1q h ALA 40 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i1q h ALA 40 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3i1q h ALA 40 CO -0.07 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.34 3i1q n GLY 41 N 0.99 1.15 3.20 0.00 0.00 0.53 -5.08 105.19 105.99 3i1q n GLY 41 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3i1q n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1q s ASP 42 N -1.64 6.12 0.26 1.61 -0.00 -0.91 -4.89 116.67 117.22 3i1q s ASP 42 Ca 0.00 -3.11 -0.02 0.00 -0.00 0.00 0.00 52.55 49.42 3i1q s ASP 42 Cb 0.00 -2.02 0.49 0.00 -0.00 0.00 0.00 42.92 41.39 3i1q s ASP 42 CO 0.00 -0.37 1.80 0.07 -0.00 0.00 0.00 175.17 176.66 3i1q h LYS 43 N 6.95 0.75 0.00 8.23 2.10 -1.91 0.85 116.57 133.54 3i1q h LYS 43 Ca 0.09 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3i1q h LYS 43 Cb 0.93 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 3i1q h LYS 43 CO 0.79 0.49 0.00 0.00 -2.00 0.00 0.00 179.45 178.74 3i1q n ALA 44 N -2.39 -0.02 0.02 0.07 0.00 -1.26 -2.02 120.51 114.91 3i1q n ALA 44 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.72 3i1q n ALA 44 Cb 0.36 0.35 0.56 0.00 0.00 0.00 0.00 19.45 20.71 3i1q n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q h ALA 45 N -1.54 2.07 -0.58 0.00 0.00 -1.60 -3.26 119.26 114.35 3i1q h ALA 45 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1q h ALA 45 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i1q h ALA 45 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.08 3i1q n ALA 46 N -2.54 -0.17 -0.27 0.00 0.00 0.28 -0.48 120.51 117.33 3i1q n ALA 46 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.66 3i1q n ALA 46 Cb 0.32 0.26 0.43 0.00 0.00 0.00 0.00 19.45 20.46 3i1q n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i1q h GLN 47 N 0.00 0.56 -0.67 0.00 1.08 -1.59 0.45 115.11 114.93 3i1q h GLN 47 Ca 0.00 -0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.26 3i1q h GLN 47 Cb 0.00 -0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.23 3i1q h GLN 47 CO 0.00 0.37 0.31 -0.22 -0.95 0.00 0.00 178.83 178.34 3i1q h LYS 48 N 0.57 0.52 0.11 1.46 3.11 -1.37 0.11 116.57 121.10 3i1q h LYS 48 Ca 0.48 -0.03 -0.28 0.00 -2.81 0.00 0.00 60.65 58.02 3i1q h LYS 48 Cb 0.96 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.07 3i1q h LYS 48 CO -0.23 0.35 -1.29 0.00 -2.81 0.00 0.00 179.45 175.47 3i1q h ALA 49 N 1.42 0.16 0.00 5.00 0.00 0.24 -3.08 119.26 123.01 3i1q h ALA 49 Ca 0.33 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3i1q h ALA 49 Cb 0.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i1q h ALA 49 CO -0.28 1.04 0.00 0.35 0.00 0.00 0.00 179.25 180.37 3i1q h PHE 50 N 0.07 0.00 0.00 0.00 3.04 -0.16 -2.54 116.94 117.35 3i1q h PHE 50 Ca -0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.80 3i1q h PHE 50 Cb 1.97 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.48 3i1q h PHE 50 CO 0.06 0.00 -0.93 0.09 -2.02 0.00 0.00 178.31 175.50 3i1q n ASN 51 N -2.91 0.67 0.13 0.41 3.02 0.00 -2.62 115.26 113.96 3i1q n ASN 51 Ca -0.00 0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 3i1q n ASN 51 Cb 0.22 0.56 0.05 0.00 -0.61 0.00 0.00 39.78 40.00 3i1q n ASN 51 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3i1q h GLU 52 N 0.00 0.00 -0.01 3.52 4.81 -1.37 -3.35 114.58 118.18 3i1q h GLU 52 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i1q h GLU 52 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3i1q h GLU 52 CO 0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 179.01 178.06 3i1q n MET 53 N -2.73 1.79 0.07 1.92 0.00 -1.13 -4.23 117.12 112.81 3i1q n MET 53 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 57.70 56.84 3i1q n MET 53 Cb 0.54 -1.17 -0.05 0.00 0.00 0.00 0.00 33.22 32.54 3i1q n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3i1q h GLN 54 N 1.51 -0.25 0.09 3.17 4.15 -1.63 -2.60 115.11 119.55 3i1q h GLN 54 Ca 0.00 0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.18 3i1q h GLN 54 Cb 0.43 0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.19 3i1q h GLN 54 CO 0.00 -0.17 -1.14 -1.00 -1.93 0.00 0.00 178.83 174.60 3i1q h PRO 55 N -0.26 0.37 -0.73 -2.39 0.13 -1.79 -3.04 132.00 124.28 3i1q h PRO 55 Ca 0.03 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i1q h PRO 55 Cb 0.30 0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 3i1q h PRO 55 CO -0.10 1.20 0.46 0.97 -0.23 0.00 0.00 178.00 180.30 3i1q h ILE 56 N 0.15 1.20 0.32 -3.56 6.09 -1.73 -0.60 117.51 119.38 3i1q h ILE 56 Ca -0.12 -0.39 -0.02 0.00 -1.37 0.00 0.00 64.86 62.96 3i1q h ILE 56 Cb 1.82 0.14 0.00 0.00 0.47 0.00 0.00 36.82 39.26 3i1q h ILE 56 CO 0.19 0.20 -0.15 0.58 -3.07 0.00 0.00 178.15 175.90 3i1q h VAL 57 N 1.00 0.10 0.00 2.19 2.07 -1.52 -2.46 116.25 117.63 3i1q h VAL 57 Ca 0.26 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3i1q h VAL 57 Cb -0.08 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3i1q h VAL 57 CO -0.05 0.03 0.28 0.44 0.02 0.00 0.00 177.57 178.28 3i1q h ASP 58 N -1.09 0.00 0.01 0.57 3.32 -1.50 0.75 116.42 118.47 3i1q h ASP 58 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3i1q h ASP 58 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3i1q h ASP 58 CO 0.07 0.00 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.50 3i1q h ARG 59 N 0.00 -0.01 0.00 3.56 2.43 -1.03 -3.06 114.38 116.26 3i1q h ARG 59 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3i1q h ARG 59 Cb 0.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3i1q h ARG 59 CO 0.00 0.25 -0.05 1.96 -1.51 0.00 0.00 179.97 180.61 3i1q h GLN 60 N -1.00 0.00 0.62 0.20 1.08 -0.83 0.62 115.11 115.80 3i1q h GLN 60 Ca -0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3i1q h GLN 60 Cb 0.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3i1q h GLN 60 CO 0.00 0.05 -0.39 0.00 -0.95 0.00 0.00 178.83 177.55 3i1q h ALA 61 N 1.95 -1.19 -0.11 3.87 0.00 -0.97 0.28 119.26 123.09 3i1q h ALA 61 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3i1q h ALA 61 Cb 0.11 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i1q h ALA 61 CO 0.01 -1.16 0.07 0.00 0.00 0.00 0.00 179.25 178.17 3i1q h ALA 62 N -1.32 1.92 0.16 0.00 0.00 -1.32 -0.93 119.26 117.77 3i1q h ALA 62 Ca -0.08 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3i1q h ALA 62 Cb 0.76 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3i1q h ALA 62 CO 0.08 0.07 -0.23 0.87 0.00 0.00 0.00 179.25 180.03 3i1q h LYS 63 N 0.14 -0.44 0.00 0.00 1.79 -0.30 -3.48 116.57 114.28 3i1q h LYS 63 Ca 0.04 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3i1q h LYS 63 Cb -0.02 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3i1q h LYS 63 CO -0.01 -0.29 0.00 0.41 -1.08 0.00 0.00 179.45 178.48 3i1q n GLY 64 N -1.36 0.59 0.00 3.86 0.00 0.94 -5.06 105.19 104.17 3i1q n GLY 64 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3i1q n GLY 64 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i1q n LEU 65 N 0.00 0.00 -1.89 0.99 -0.00 -1.18 -4.74 117.00 110.18 3i1q n LEU 65 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 3i1q n LEU 65 Cb 0.00 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 43.67 3i1q n LEU 65 CO 0.00 0.00 0.99 0.00 -0.00 0.00 0.00 177.39 178.38 3i1q n ILE 66 N -1.04 2.66 0.00 1.47 0.13 -1.25 -5.03 119.36 116.29 3i1q n ILE 66 Ca 0.00 -1.44 0.00 0.00 -1.10 0.00 0.00 62.75 60.21 3i1q n ILE 66 Cb 0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 39.64 38.37 3i1q n ILE 66 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 3i1q n HIS 67 N -0.20 0.00 -1.87 9.51 -0.00 -1.26 -3.68 115.22 117.72 3i1q n HIS 67 Ca 0.38 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.56 3i1q n HIS 67 Cb 1.30 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.17 3i1q n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i1q n LYS 68 N 0.00 0.00 0.00 1.57 5.02 -1.26 -2.69 118.16 120.80 3i1q n LYS 68 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i1q n LYS 68 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i1q n LYS 68 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3i1q n ASN 69 N 3.71 0.05 0.17 4.39 6.94 -1.26 -1.08 115.26 128.19 3i1q n ASN 69 Ca 0.00 -1.10 0.02 0.00 -0.02 0.00 0.00 54.58 53.48 3i1q n ASN 69 Cb 0.00 -0.03 0.31 0.00 -2.36 0.00 0.00 39.78 37.71 3i1q n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3i1q h LYS 70 N 0.04 0.00 0.77 -3.83 3.64 -1.64 -1.28 116.57 114.28 3i1q h LYS 70 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3i1q h LYS 70 Cb 0.03 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3i1q h LYS 70 CO 0.00 0.44 -0.37 0.00 -2.27 0.00 0.00 179.45 177.25 3i1q h ALA 71 N 1.56 -1.09 -0.76 5.00 0.00 -1.18 -3.21 119.26 119.58 3i1q h ALA 71 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3i1q h ALA 71 Cb 0.81 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 3i1q h ALA 71 CO 0.06 -1.02 -0.45 0.00 0.00 0.00 0.00 179.25 177.84 3i1q n ALA 72 N -2.65 -0.49 -0.12 0.00 0.00 -1.03 -1.21 120.51 115.01 3i1q n ALA 72 Ca -0.13 0.65 -0.11 0.00 0.00 0.00 0.00 53.44 53.85 3i1q n ALA 72 Cb 0.41 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 3i1q n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1q h ARG 73 N 0.00 -0.28 0.00 0.00 3.08 -1.33 -0.85 114.38 114.99 3i1q h ARG 73 Ca 0.12 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3i1q h ARG 73 Cb 0.31 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3i1q h ARG 73 CO -0.72 -0.19 0.00 0.72 -1.07 0.00 0.00 179.97 178.71 3i1q n HIS 74 N -4.77 0.00 -0.09 3.04 8.25 -0.35 -1.91 115.22 119.38 3i1q n HIS 74 Ca -0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 3i1q n HIS 74 Cb 0.26 -0.22 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3i1q n HIS 74 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3i1q n LYS 75 N -1.64 -0.09 0.00 -0.41 2.85 -1.11 -1.10 118.16 116.65 3i1q n LYS 75 Ca 0.00 1.01 0.00 0.00 -1.05 0.00 0.00 58.31 58.27 3i1q n LYS 75 Cb 0.00 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 3i1q n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1q n ALA 76 N -3.00 0.00 0.41 0.58 0.00 -0.33 -0.01 120.51 118.16 3i1q n ALA 76 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 3i1q n ALA 76 Cb 0.06 0.18 0.22 0.00 0.00 0.00 0.00 19.45 19.91 3i1q n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i1q n ASN 77 N -0.87 0.00 0.07 0.00 2.04 -0.80 -0.44 115.26 115.27 3i1q n ASN 77 Ca 0.00 0.17 -0.18 0.00 -0.44 0.00 0.00 54.58 54.13 3i1q n ASN 77 Cb 0.00 -0.30 -0.10 0.00 -2.53 0.00 0.00 39.78 36.86 3i1q n ASN 77 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 3i1q h LEU 78 N 0.00 0.72 -1.26 -4.53 3.38 0.12 -3.11 115.31 110.63 3i1q h LEU 78 Ca 0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3i1q h LEU 78 Cb 0.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3i1q h LEU 78 CO 0.00 1.43 0.00 0.74 0.09 0.00 0.00 178.44 180.70 3i1q h THR 79 N 0.27 0.00 0.00 0.22 2.02 0.63 -2.84 112.91 113.20 3i1q h THR 79 Ca -0.13 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3i1q h THR 79 Cb 1.76 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3i1q h THR 79 CO 0.20 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.09 3i1q n ALA 80 N -2.02 1.61 0.00 6.16 0.00 -1.09 -3.06 120.51 122.11 3i1q n ALA 80 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3i1q n ALA 80 Cb 0.29 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3i1q n ALA 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i1q n GLN 81 N -1.90 0.93 0.32 0.00 6.02 -1.14 -3.69 117.38 117.93 3i1q n GLN 81 Ca 0.02 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.18 3i1q n GLN 81 Cb 0.19 -0.99 0.90 0.00 1.02 0.00 0.00 30.24 31.36 3i1q n GLN 81 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 3i1q h ILE 82 N 0.00 0.00 0.00 5.09 -0.00 -1.54 -1.71 117.51 119.35 3i1q h ILE 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3i1q h ILE 82 Cb 0.98 0.73 0.00 0.00 -0.00 0.00 0.00 36.82 38.53 3i1q h ILE 82 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 178.15 177.69 3i1q n ASN 83 N -2.88 0.66 0.13 2.16 0.23 -1.17 -3.94 115.26 110.44 3i1q n ASN 83 Ca -0.02 -0.97 -0.01 0.00 -0.53 0.00 0.00 54.58 53.04 3i1q n ASN 83 Cb 0.28 0.03 0.10 0.00 -2.08 0.00 0.00 39.78 38.11 3i1q n ASN 83 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3i1q h LYS 84 N 0.00 0.00 0.00 -3.83 3.11 -1.38 -3.31 116.57 111.16 3i1q h LYS 84 Ca 0.00 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 57.67 3i1q h LYS 84 Cb 0.15 0.00 -0.35 0.00 -1.00 0.00 0.00 32.23 31.03 3i1q h LYS 84 CO 0.00 0.66 -0.95 -0.11 -2.81 0.00 0.00 179.45 176.25 3i1q n LEU 85 N -3.55 0.77 0.00 5.20 7.94 -1.19 -5.05 117.00 121.13 3i1q n LEU 85 Ca -0.00 -1.97 0.00 0.00 -1.11 0.00 0.00 56.01 52.93 3i1q n LEU 85 Cb 0.70 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.65 3i1q n LEU 85 CO 0.42 0.59 0.00 0.00 -1.11 0.00 0.00 177.39 177.29