#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6q n TRP 7 N 0.00 0.27 0.21 -0.67 4.27 -1.26 -3.67 117.44 116.59 1r6q n TRP 7 Ca 0.00 0.08 0.09 0.00 -3.89 0.00 0.00 57.50 53.78 1r6q n TRP 7 Cb 0.00 -0.53 0.33 0.00 -1.36 0.00 0.00 31.31 29.76 1r6q n TRP 7 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1r6q h LEU 8 N 0.00 0.00 -8.64 5.67 5.85 -2.10 -3.42 115.31 112.68 1r6q h LEU 8 Ca 0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 1r6q h LEU 8 Cb 0.59 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1r6q h LEU 8 CO 0.00 0.24 1.12 -0.62 -0.34 0.00 0.00 178.44 178.83 1r6q s ASP 9 N -6.21 6.11 -0.05 1.25 2.15 -1.24 -4.91 116.67 113.77 1r6q s ASP 9 Ca 0.02 0.45 -0.04 0.00 0.43 0.00 0.00 52.55 53.41 1r6q s ASP 9 Cb 0.09 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1r6q s ASP 9 CO 0.66 -1.69 0.22 -0.26 -0.17 0.00 0.00 175.17 173.93 1r6q h PHE 10 N 11.29 -0.14 -0.06 -5.34 0.05 -1.92 -3.36 116.94 117.46 1r6q h PHE 10 Ca -0.27 -0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.48 1r6q h PHE 10 Cb 1.10 0.05 -0.02 0.00 2.00 0.00 0.00 35.95 39.08 1r6q h PHE 10 CO 1.02 -0.09 0.04 -0.40 -0.18 0.00 0.00 178.31 178.70 1r6q n ASP 11 N -3.99 2.94 0.02 2.17 5.75 -1.26 -5.22 116.55 116.96 1r6q n ASP 11 Ca -0.02 -2.10 -0.12 0.00 -0.01 0.00 0.00 54.79 52.54 1r6q n ASP 11 Cb 0.06 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 39.55 1r6q n ASP 11 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1r6q h GLN 12 N 0.08 -0.00 0.00 0.11 4.15 -1.99 -3.56 115.11 113.89 1r6q h GLN 12 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1r6q h GLN 12 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1r6q h GLN 12 CO 0.07 0.15 0.00 0.00 -1.93 0.00 0.00 178.83 177.12 1r6q n ALA 21 N -2.17 0.00 -3.78 3.38 0.00 -1.26 -5.14 120.51 111.53 1r6q n ALA 21 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1r6q n ALA 21 Cb 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.38 1r6q n ALA 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1r6q s LEU 22 N -4.79 1.56 0.01 0.00 1.43 -1.26 -5.12 118.68 110.51 1r6q s LEU 22 Ca 0.00 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1r6q s LEU 22 Cb 0.00 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 1r6q s LEU 22 CO 0.00 -0.03 -0.15 -0.54 0.23 0.00 0.00 176.35 175.85 1r6q s LYS 23 N 1.25 1.15 0.56 1.70 1.02 -1.26 -5.14 119.74 119.03 1r6q s LYS 23 Ca -0.02 -0.64 -0.19 0.00 0.02 0.00 0.00 55.97 55.14 1r6q s LYS 23 Cb -0.14 -1.14 -0.05 0.00 -0.52 0.00 0.00 37.83 35.98 1r6q s LYS 23 CO -0.05 0.30 1.19 -2.14 -0.92 0.00 0.00 175.35 173.73 1r6q s PRO 24 N -0.66 3.17 0.56 -1.68 0.02 -1.26 -4.96 135.00 130.19 1r6q s PRO 24 Ca 0.05 1.77 -0.21 0.00 0.02 0.00 0.00 61.00 62.63 1r6q s PRO 24 Cb -0.07 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1r6q s PRO 24 CO 0.00 -1.03 1.19 -0.35 -0.33 0.00 0.00 177.00 176.48 1r6q n PRO 25 N -1.37 1.35 -2.85 5.54 -0.04 -1.26 -5.00 135.00 131.37 1r6q n PRO 25 Ca 0.12 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 63.85 1r6q n PRO 25 Cb 0.50 -2.39 0.02 0.00 -0.04 0.00 0.00 33.50 31.59 1r6q n PRO 25 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r6q s SER 26 N -1.04 5.78 0.56 3.54 1.04 -1.26 -4.93 113.70 117.39 1r6q s SER 26 Ca 0.73 0.38 -0.15 0.00 0.48 0.00 0.00 55.95 57.39 1r6q s SER 26 Cb -0.43 -1.57 -0.06 0.00 0.10 0.00 0.00 66.02 64.06 1r6q s SER 26 CO 0.48 -0.78 1.02 -0.04 0.98 0.00 0.00 173.24 174.90 1r6q s MET 27 N -4.65 3.66 -0.01 4.02 -1.94 -1.26 -3.32 119.30 115.79 1r6q s MET 27 Ca 0.50 1.00 0.04 0.00 -1.71 0.00 0.00 55.69 55.51 1r6q s MET 27 Cb -0.10 -2.09 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 1r6q s MET 27 CO 0.40 -0.52 -0.12 0.71 -0.01 0.00 0.00 175.02 175.48 1r6q s TYR 28 N -2.67 1.10 0.18 -0.03 1.51 0.98 -0.40 117.35 118.02 1r6q s TYR 28 Ca 0.60 -0.23 -0.26 0.00 -1.01 0.00 0.00 57.07 56.17 1r6q s TYR 28 Cb -0.12 -0.72 -0.08 0.00 -0.11 0.00 0.00 41.96 40.92 1r6q s TYR 28 CO 0.37 -0.04 0.81 0.15 -1.11 0.00 0.00 175.55 175.72 1r6q s LYS 29 N -0.17 4.62 -0.21 -0.62 1.02 0.12 -0.95 119.74 123.54 1r6q s LYS 29 Ca 0.03 1.22 -0.07 0.00 0.02 0.00 0.00 55.97 57.16 1r6q s LYS 29 Cb -0.06 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1r6q s LYS 29 CO -0.00 0.56 0.06 0.08 -0.92 0.00 0.00 175.35 175.13 1r6q s VAL 30 N -1.16 4.54 0.02 3.17 1.01 0.67 -1.38 120.40 127.26 1r6q s VAL 30 Ca 0.37 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.31 1r6q s VAL 30 Cb -0.24 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1r6q s VAL 30 CO 0.27 0.40 -0.21 -0.63 0.00 0.00 0.00 175.10 174.94 1r6q s ILE 31 N 0.97 2.58 -0.18 2.22 1.01 0.14 0.76 121.20 128.69 1r6q s ILE 31 Ca 0.04 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 1r6q s ILE 31 Cb -0.14 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1r6q s ILE 31 CO 0.03 0.41 0.02 -0.22 0.00 0.00 0.00 174.94 175.17 1r6q s LEU 32 N -1.20 3.47 -0.03 2.97 2.96 -0.57 -0.63 118.68 125.65 1r6q s LEU 32 Ca 0.13 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1r6q s LEU 32 Cb -0.10 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1r6q s LEU 32 CO 0.03 0.13 0.15 -0.69 -1.32 0.00 0.00 176.35 174.65 1r6q s VAL 33 N 0.62 5.29 0.46 1.68 1.01 -0.14 -1.71 120.40 127.62 1r6q s VAL 33 Ca 0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 1r6q s VAL 33 Cb -0.14 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1r6q s VAL 33 CO 0.02 0.40 1.00 0.21 0.00 0.00 0.00 175.10 176.73 1r6q s ASN 34 N -1.68 6.59 0.17 3.32 2.47 -0.26 -4.28 114.94 121.28 1r6q s ASN 34 Ca 0.23 1.82 -0.13 0.00 0.42 0.00 0.00 52.86 55.20 1r6q s ASN 34 Cb -0.12 -2.55 0.01 0.00 -1.45 0.00 0.00 41.25 37.14 1r6q s ASN 34 CO 0.14 -0.60 0.39 1.51 -3.72 0.00 0.00 177.10 174.82 1r6q s ASP 35 N -2.10 -0.10 0.00 -4.21 1.47 -1.26 -4.97 116.67 105.51 1r6q s ASP 35 Ca 0.65 -0.65 0.27 0.00 1.18 0.00 0.00 52.55 54.00 1r6q s ASP 35 Cb -0.13 0.49 0.87 0.00 -0.34 0.00 0.00 42.92 43.81 1r6q s ASP 35 CO 0.17 -0.95 1.64 0.47 0.68 0.00 0.00 175.17 177.19 1r6q n ASP 36 N -0.26 1.81 -0.10 2.11 8.00 -1.26 -4.42 116.55 122.44 1r6q n ASP 36 Ca -0.10 -1.61 -0.14 0.00 0.71 0.00 0.00 54.79 53.66 1r6q n ASP 36 Cb 0.63 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.63 1r6q n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1r6q n TYR 37 N 0.42 0.00 -1.69 1.24 4.01 -1.26 -4.98 117.16 114.90 1r6q n TYR 37 Ca 0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.49 1r6q n TYR 37 Cb 0.40 -0.76 -0.03 0.00 -0.31 0.00 0.00 39.34 38.64 1r6q n TYR 37 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1r6q n THR 38 N -3.08 0.37 -1.97 -0.72 -1.04 -1.26 -4.94 114.28 101.64 1r6q n THR 38 Ca -0.35 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.21 1r6q n THR 38 Cb 0.88 -2.07 0.02 0.00 -1.82 0.00 0.00 70.33 67.33 1r6q n THR 38 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1r6q s PRO 39 N 2.77 3.42 0.26 -2.82 0.02 -1.26 -4.92 135.00 132.47 1r6q s PRO 39 Ca 0.83 2.06 -0.02 0.00 0.02 0.00 0.00 61.00 63.89 1r6q s PRO 39 Cb -0.51 -2.34 0.52 0.00 0.02 0.00 0.00 34.50 32.19 1r6q s PRO 39 CO 0.39 -0.91 1.75 1.98 -0.33 0.00 0.00 177.00 179.87 1r6q h MET 40 N 1.75 0.55 -0.45 5.54 1.85 -2.01 -1.64 114.93 120.52 1r6q h MET 40 Ca -0.50 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 58.54 1r6q h MET 40 Cb 1.28 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 33.16 1r6q h MET 40 CO 0.59 0.37 0.23 1.49 -0.40 0.00 0.00 176.91 179.18 1r6q h GLU 41 N 0.57 0.63 -0.25 0.39 4.81 -2.00 -2.59 114.58 116.13 1r6q h GLU 41 Ca 0.45 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.45 1r6q h GLU 41 Cb 0.66 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1r6q h GLU 41 CO -0.38 0.48 -0.49 0.35 -0.73 0.00 0.00 179.01 178.24 1r6q h PHE 42 N 0.63 0.86 -0.47 0.92 3.57 -1.67 -1.10 116.94 119.68 1r6q h PHE 42 Ca 0.16 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1r6q h PHE 42 Cb 0.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 1r6q h PHE 42 CO 0.00 1.05 0.23 0.28 -2.23 0.00 0.00 178.31 177.64 1r6q h VAL 43 N 0.55 1.19 -0.70 1.41 2.07 -1.31 -0.39 116.25 119.06 1r6q h VAL 43 Ca 0.02 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1r6q h VAL 43 Cb 1.05 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1r6q h VAL 43 CO 0.10 0.20 0.20 0.40 0.02 0.00 0.00 177.57 178.49 1r6q h ILE 44 N 0.61 1.26 -0.20 4.57 2.04 -1.43 -1.27 117.51 123.09 1r6q h ILE 44 Ca 0.16 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1r6q h ILE 44 Cb 0.12 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1r6q h ILE 44 CO -0.02 0.36 0.10 -0.78 0.00 0.00 0.00 178.15 177.80 1r6q h ASP 45 N 1.05 0.14 -0.73 1.72 3.58 -0.85 -0.58 116.42 120.74 1r6q h ASP 45 Ca 0.22 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 1r6q h ASP 45 Cb 0.33 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1r6q h ASP 45 CO -0.00 0.11 0.44 0.58 -2.88 0.00 0.00 179.24 177.49 1r6q h VAL 46 N 0.21 1.21 -0.50 2.25 2.07 -0.82 0.44 116.25 121.11 1r6q h VAL 46 Ca 0.08 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1r6q h VAL 46 Cb 0.02 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1r6q h VAL 46 CO -0.06 0.22 0.05 -0.07 0.02 0.00 0.00 177.57 177.72 1r6q h LEU 47 N 1.00 0.77 0.04 2.57 3.38 -0.79 -0.91 115.31 121.37 1r6q h LEU 47 Ca 0.26 -0.17 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1r6q h LEU 47 Cb -0.03 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.54 1r6q h LEU 47 CO -0.05 0.81 -0.90 1.56 0.09 0.00 0.00 178.44 179.96 1r6q h GLN 48 N 0.77 0.54 0.00 1.13 4.20 -0.75 -2.49 115.11 118.51 1r6q h GLN 48 Ca 0.16 -0.63 -0.22 0.00 0.06 0.00 0.00 58.65 58.01 1r6q h GLN 48 Cb 0.40 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1r6q h GLN 48 CO 0.01 1.25 -0.94 -0.22 -0.67 0.00 0.00 178.83 178.26 1r6q h LYS 49 N 0.11 0.38 -0.00 1.46 3.64 -0.84 -2.81 116.57 118.51 1r6q h LYS 49 Ca -0.12 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1r6q h LYS 49 Cb 1.59 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1r6q h LYS 49 CO 0.17 1.09 -0.47 1.19 -2.27 0.00 0.00 179.45 179.16 1r6q n PHE 50 N -3.73 0.00 -0.58 1.91 3.72 -0.36 -4.60 117.46 113.83 1r6q n PHE 50 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1r6q n PHE 50 Cb 0.84 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.38 1r6q n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1r6q n PHE 51 N -0.93 0.00 -1.82 1.38 3.72 -0.96 -5.03 117.46 113.82 1r6q n PHE 51 Ca 0.03 -0.01 -0.18 0.00 -0.05 0.00 0.00 57.45 57.24 1r6q n PHE 51 Cb 0.22 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 1r6q n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1r6q n SER 52 N -0.01 -5.21 -4.82 4.37 7.64 -1.06 -4.96 113.62 109.57 1r6q n SER 52 Ca 0.00 0.28 -0.33 0.00 1.01 0.00 0.00 58.87 59.83 1r6q n SER 52 Cb 0.15 -4.30 -0.03 0.00 -1.01 0.00 0.00 64.21 59.03 1r6q n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1r6q s TYR 53 N -2.75 3.18 0.89 1.43 2.02 -1.18 -4.99 117.35 115.94 1r6q s TYR 53 Ca 0.00 1.53 -0.14 0.00 -0.37 0.00 0.00 57.07 58.09 1r6q s TYR 53 Cb 0.00 -2.93 0.15 0.00 -0.40 0.00 0.00 41.96 38.78 1r6q s TYR 53 CO 0.00 -0.67 1.25 0.16 -1.57 0.00 0.00 175.55 174.71 1r6q s ASP 54 N -2.60 3.70 0.24 2.29 1.47 -1.26 -4.39 116.67 116.12 1r6q s ASP 54 Ca 0.63 0.41 -0.06 0.00 1.18 0.00 0.00 52.55 54.71 1r6q s ASP 54 Cb -0.13 -0.64 0.31 0.00 -0.34 0.00 0.00 42.92 42.11 1r6q s ASP 54 CO 0.28 -2.37 1.88 0.58 0.68 0.00 0.00 175.17 176.22 1r6q h VAL 55 N -1.35 1.13 0.25 2.11 2.07 -1.97 -0.97 116.25 117.53 1r6q h VAL 55 Ca -0.45 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1r6q h VAL 55 Cb 1.27 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1r6q h VAL 55 CO 0.48 0.21 -0.12 -0.33 0.02 0.00 0.00 177.57 177.83 1r6q h GLU 56 N 1.13 -0.33 -0.11 1.57 3.07 -1.99 -0.64 114.58 117.27 1r6q h GLU 56 Ca 0.37 0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 59.12 1r6q h GLU 56 Cb 0.05 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1r6q h GLU 56 CO -0.13 -0.21 -0.51 0.00 -1.40 0.00 0.00 179.01 176.76 1r6q h ARG 57 N -0.35 0.31 -0.49 2.33 3.08 -1.92 -1.97 114.38 115.37 1r6q h ARG 57 Ca -0.03 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1r6q h ARG 57 Cb 0.27 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1r6q h ARG 57 CO 0.06 0.75 0.22 0.00 -1.07 0.00 0.00 179.97 179.93 1r6q h ALA 58 N 1.22 0.63 -0.51 0.04 0.00 -1.04 -0.67 119.26 118.94 1r6q h ALA 58 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1r6q h ALA 58 Cb 0.99 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1r6q h ALA 58 CO 0.08 0.21 0.25 1.15 0.00 0.00 0.00 179.25 180.94 1r6q h THR 59 N 0.65 1.19 -0.81 0.00 2.02 -0.95 0.21 112.91 115.23 1r6q h THR 59 Ca 0.17 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1r6q h THR 59 Cb 0.14 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1r6q h THR 59 CO -0.02 0.22 0.42 1.56 0.37 0.00 0.00 175.52 178.06 1r6q h GLN 60 N 0.68 1.15 -0.21 6.66 4.20 -1.16 -0.17 115.11 126.25 1r6q h GLN 60 Ca 0.17 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 1r6q h GLN 60 Cb 0.11 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1r6q h GLN 60 CO -0.02 0.87 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.53 1r6q h LEU 61 N 1.14 0.52 -0.68 1.46 -0.00 -0.77 -1.16 115.31 115.82 1r6q h LEU 61 Ca 0.28 -0.23 -0.06 0.00 -0.00 0.00 0.00 57.88 57.87 1r6q h LEU 61 Cb 0.08 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 1r6q h LEU 61 CO -0.04 0.87 0.19 -0.03 -0.00 0.00 0.00 178.44 179.43 1r6q h MET 62 N 0.41 1.07 -0.56 1.13 4.05 -0.07 -1.70 114.93 119.25 1r6q h MET 62 Ca 0.04 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.12 1r6q h MET 62 Cb 0.89 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 1r6q h MET 62 CO 0.08 0.94 -0.01 -0.07 0.23 0.00 0.00 176.91 178.07 1r6q h LEU 63 N 1.00 0.98 -0.81 3.39 3.38 -0.68 -2.02 115.31 120.55 1r6q h LEU 63 Ca 0.22 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1r6q h LEU 63 Cb 0.34 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1r6q h LEU 63 CO -0.00 1.06 0.42 0.00 0.09 0.00 0.00 178.44 180.01 1r6q h ALA 64 N 0.96 1.04 -0.29 1.53 0.00 -1.04 -0.65 119.26 120.81 1r6q h ALA 64 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r6q h ALA 64 Cb 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1r6q h ALA 64 CO 0.03 0.57 0.17 0.28 0.00 0.00 0.00 179.25 180.30 1r6q h VAL 65 N 1.13 1.11 -0.95 0.00 2.07 -1.13 0.20 116.25 118.68 1r6q h VAL 65 Ca 0.28 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1r6q h VAL 65 Cb 0.07 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1r6q h VAL 65 CO -0.04 0.11 0.61 -0.74 0.02 0.00 0.00 177.57 177.53 1r6q h HIS 66 N 0.37 1.21 0.10 1.57 6.17 -0.90 0.74 115.15 124.41 1r6q h HIS 66 Ca 0.10 0.02 -0.35 0.00 0.71 0.00 0.00 60.37 60.85 1r6q h HIS 66 Cb 0.03 -0.40 -0.02 0.00 2.52 0.00 0.00 27.41 29.53 1r6q h HIS 66 CO -0.04 0.77 -1.96 0.66 0.71 0.00 0.00 177.93 178.07 1r6q n TYR 67 N -4.38 1.18 0.53 5.26 4.01 -0.29 -4.36 117.16 119.11 1r6q n TYR 67 Ca 0.11 0.28 0.12 0.00 -0.16 0.00 0.00 57.90 58.24 1r6q n TYR 67 Cb 0.03 -1.16 0.08 0.00 -0.31 0.00 0.00 39.34 37.97 1r6q n TYR 67 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1r6q n GLN 68 N -3.40 0.31 0.00 -0.72 1.13 0.68 -4.96 117.38 110.43 1r6q n GLN 68 Ca -0.30 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.80 1r6q n GLN 68 Cb 1.05 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.76 1r6q n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r6q n GLY 69 N 1.34 2.80 3.62 1.08 0.00 0.25 -4.98 105.19 109.30 1r6q n GLY 69 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1r6q n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r6q s LYS 70 N -0.84 0.55 -0.16 1.61 -2.85 -1.17 -1.10 119.74 115.78 1r6q s LYS 70 Ca 0.00 -0.27 -0.25 0.00 -1.00 0.00 0.00 55.97 54.45 1r6q s LYS 70 Cb 0.00 0.21 0.06 0.00 -2.06 0.00 0.00 37.83 36.04 1r6q s LYS 70 CO 0.00 -0.25 0.63 0.00 0.10 0.00 0.00 175.35 175.83 1r6q s ALA 71 N -2.65 -1.59 -0.03 0.59 0.00 -0.69 -4.35 121.76 113.04 1r6q s ALA 71 Ca 0.11 1.52 -0.30 0.00 0.00 0.00 0.00 51.96 53.29 1r6q s ALA 71 Cb 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1r6q s ALA 71 CO -0.04 -0.32 1.28 0.42 0.00 0.00 0.00 175.76 177.10 1r6q s ILE 72 N -0.33 4.04 -0.12 0.00 1.01 -1.26 -1.51 121.20 123.02 1r6q s ILE 72 Ca -0.05 1.39 0.20 0.00 0.00 0.00 0.00 60.65 62.19 1r6q s ILE 72 Cb -0.03 -3.89 -0.21 0.00 0.01 0.00 0.00 42.46 38.34 1r6q s ILE 72 CO 0.04 0.00 0.58 0.00 0.00 0.00 0.00 174.94 175.56 1r6q n GLY 74 N 1.40 0.38 3.03 0.00 0.00 -1.19 -4.98 105.19 103.83 1r6q n GLY 74 Ca -0.12 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1r6q n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r6q s VAL 75 N -2.00 1.31 0.28 1.61 1.01 -1.26 -0.24 120.40 121.11 1r6q s VAL 75 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1r6q s VAL 75 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1r6q s VAL 75 CO 0.00 0.40 0.25 -0.36 0.00 0.00 0.00 175.10 175.39 1r6q s PHE 76 N 0.95 1.44 0.84 5.22 0.08 -0.13 -4.94 117.98 121.45 1r6q s PHE 76 Ca -0.08 -1.50 -0.10 0.00 0.12 0.00 0.00 56.93 55.36 1r6q s PHE 76 Cb -0.15 -0.58 0.10 0.00 -0.57 0.00 0.00 43.02 41.82 1r6q s PHE 76 CO -0.00 -0.81 1.12 0.95 -0.10 0.00 0.00 175.22 176.37 1r6q s THR 77 N -3.69 2.71 0.22 0.64 -4.23 -1.26 -0.01 115.64 110.01 1r6q s THR 77 Ca 0.39 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1r6q s THR 77 Cb 0.04 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.55 1r6q s THR 77 CO 0.21 -0.30 1.74 0.00 -0.54 0.00 0.00 174.62 175.72 1r6q h ALA 78 N -1.50 0.85 -0.31 3.99 0.00 -1.88 0.18 119.26 120.59 1r6q h ALA 78 Ca -0.43 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1r6q h ALA 78 Cb 1.25 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1r6q h ALA 78 CO 0.47 -0.20 0.12 1.49 0.00 0.00 0.00 179.25 181.13 1r6q h GLU 79 N 0.41 0.46 -0.27 0.00 4.81 -1.91 -1.44 114.58 116.64 1r6q h GLU 79 Ca 0.34 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.34 1r6q h GLU 79 Cb 0.45 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1r6q h GLU 79 CO -0.34 0.47 -0.40 0.28 -0.73 0.00 0.00 179.01 178.29 1r6q h VAL 80 N 0.35 1.30 -0.50 0.32 2.07 -1.83 -2.97 116.25 114.99 1r6q h VAL 80 Ca 0.10 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.08 1r6q h VAL 80 Cb 0.18 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1r6q h VAL 80 CO -0.01 0.51 0.25 0.00 0.02 0.00 0.00 177.57 178.34 1r6q h ALA 81 N 0.68 0.64 -0.95 1.67 0.00 -0.58 -0.64 119.26 120.08 1r6q h ALA 81 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1r6q h ALA 81 Cb 0.99 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1r6q h ALA 81 CO 0.09 -0.10 0.63 1.49 0.00 0.00 0.00 179.25 181.36 1r6q h GLU 82 N 0.49 1.20 -0.15 0.00 4.81 -1.28 -1.31 114.58 118.35 1r6q h GLU 82 Ca 0.22 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1r6q h GLU 82 Cb 0.13 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1r6q h GLU 82 CO -0.16 0.80 -0.05 1.15 -0.73 0.00 0.00 179.01 180.02 1r6q h THR 83 N 1.24 1.30 -0.54 0.32 2.02 -1.17 -2.34 112.91 113.74 1r6q h THR 83 Ca 0.36 -1.06 0.01 0.00 0.77 0.00 0.00 66.41 66.50 1r6q h THR 83 Cb -0.07 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1r6q h THR 83 CO -0.09 0.31 0.35 0.11 0.37 0.00 0.00 175.52 176.56 1r6q h LYS 84 N -0.03 0.68 -0.66 6.66 1.57 -0.91 -0.84 116.57 123.05 1r6q h LYS 84 Ca 0.03 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1r6q h LYS 84 Cb 0.51 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1r6q h LYS 84 CO 0.02 0.45 0.40 0.28 -0.57 0.00 0.00 179.45 180.03 1r6q h VAL 85 N 0.70 1.07 -0.61 0.50 2.07 -1.23 -0.81 116.25 117.95 1r6q h VAL 85 Ca 0.21 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1r6q h VAL 85 Cb -0.04 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1r6q h VAL 85 CO -0.06 0.14 0.03 0.00 0.02 0.00 0.00 177.57 177.70 1r6q h ALA 86 N 1.29 0.90 -0.21 1.67 0.00 -1.02 -1.59 119.26 120.29 1r6q h ALA 86 Ca 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1r6q h ALA 86 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1r6q h ALA 86 CO -0.11 0.66 0.02 0.52 0.00 0.00 0.00 179.25 180.34 1r6q h MET 87 N 0.96 0.36 -0.20 0.00 2.07 -0.79 -1.13 114.93 116.21 1r6q h MET 87 Ca 0.18 -0.10 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1r6q h MET 87 Cb 0.52 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 30.20 1r6q h MET 87 CO 0.02 0.53 0.12 0.28 1.07 0.00 0.00 176.91 178.93 1r6q h VAL 88 N 0.14 1.08 -0.35 -2.22 2.07 -1.06 -1.50 116.25 114.40 1r6q h VAL 88 Ca 0.06 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1r6q h VAL 88 Cb 0.35 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1r6q h VAL 88 CO 0.01 0.07 0.05 0.78 0.02 0.00 0.00 177.57 178.50 1r6q h ASN 89 N 0.24 0.49 -0.26 0.57 2.35 -1.24 0.94 115.58 118.66 1r6q h ASN 89 Ca 0.07 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.56 1r6q h ASN 89 Cb 0.01 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1r6q h ASN 89 CO -0.01 0.52 -0.54 0.50 -1.65 0.00 0.00 177.43 176.24 1r6q h LYS 90 N 0.52 0.83 -0.63 0.81 3.64 -1.02 -1.16 116.57 119.56 1r6q h LYS 90 Ca 0.12 -0.54 -0.07 0.00 -1.27 0.00 0.00 60.65 58.89 1r6q h LYS 90 Cb 0.25 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1r6q h LYS 90 CO 0.00 1.17 0.13 -0.92 -2.27 0.00 0.00 179.45 177.56 1r6q h TYR 91 N 0.59 1.08 -0.26 1.91 3.20 -0.77 -0.12 116.97 122.60 1r6q h TYR 91 Ca 0.01 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 1r6q h TYR 91 Cb 1.15 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1r6q h TYR 91 CO 0.08 0.91 0.07 0.00 -1.64 0.00 0.00 178.16 177.58 1r6q h ALA 92 N 1.04 0.34 -0.40 1.82 0.00 -0.79 -2.40 119.26 118.87 1r6q h ALA 92 Ca 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r6q h ALA 92 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1r6q h ALA 92 CO 0.01 -0.02 0.25 -0.09 0.00 0.00 0.00 179.25 179.39 1r6q h ARG 93 N 0.25 0.53 0.00 0.00 2.43 -0.98 -0.14 114.38 116.47 1r6q h ARG 93 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1r6q h ARG 93 Cb 0.26 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1r6q h ARG 93 CO -0.00 0.38 -0.11 0.93 -1.51 0.00 0.00 179.97 179.66 1r6q h GLU 94 N 0.52 0.00 -0.69 0.20 5.08 -0.99 -0.66 114.58 118.04 1r6q h GLU 94 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1r6q h GLU 94 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1r6q h GLU 94 CO -0.03 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.18 1r6q n ASN 95 N -3.90 4.24 -3.39 1.42 3.02 -0.90 -4.96 115.26 110.78 1r6q n ASN 95 Ca -0.02 -2.20 -0.24 0.00 -0.03 0.00 0.00 54.58 52.08 1r6q n ASN 95 Cb 0.21 -0.53 0.04 0.00 -0.61 0.00 0.00 39.78 38.89 1r6q n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r6q n GLU 96 N 1.38 -5.72 -5.00 3.52 1.02 -0.26 -5.01 120.64 110.58 1r6q n GLU 96 Ca 0.25 0.78 -0.30 0.00 -0.02 0.00 0.00 57.16 57.86 1r6q n GLU 96 Cb 0.73 -5.68 -0.15 0.00 -0.02 0.00 0.00 31.44 26.32 1r6q n GLU 96 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1r6q s HIS 97 N -3.21 2.35 -1.14 -0.32 3.76 -0.16 -5.02 115.29 111.55 1r6q s HIS 97 Ca 0.46 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.99 1r6q s HIS 97 Cb -0.22 -1.43 0.11 0.00 1.11 0.00 0.00 32.58 32.15 1r6q s HIS 97 CO 0.57 0.09 0.76 -0.35 -0.85 0.00 0.00 174.74 174.96 1r6q n PRO 98 N 1.96 1.46 -1.66 8.40 -0.04 -1.26 -3.98 135.00 139.88 1r6q n PRO 98 Ca -0.17 -0.41 -0.47 0.00 -0.04 0.00 0.00 63.50 62.41 1r6q n PRO 98 Cb 0.52 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1r6q n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1r6q n LEU 99 N 0.02 3.48 -4.58 1.53 7.94 -1.26 -4.95 117.00 119.18 1r6q n LEU 99 Ca 0.04 0.88 -0.34 0.00 -1.11 0.00 0.00 56.01 55.47 1r6q n LEU 99 Cb 0.31 -1.40 -0.11 0.00 0.53 0.00 0.00 43.42 42.75 1r6q n LEU 99 CO 0.04 -0.09 -0.31 -0.22 -1.11 0.00 0.00 177.39 175.70 1r6q s LEU 100 N 4.63 3.51 -0.11 -1.96 2.96 -1.26 -4.76 118.68 121.70 1r6q s LEU 100 Ca 0.94 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1r6q s LEU 100 Cb -0.64 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 1r6q s LEU 100 CO 0.49 0.21 -0.11 0.00 -1.32 0.00 0.00 176.35 175.61 1r6q s THR 102 N -0.06 0.51 0.08 0.00 -4.23 0.20 -4.94 115.64 107.19 1r6q s THR 102 Ca -0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1r6q s THR 102 Cb -0.14 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1r6q s THR 102 CO 0.03 0.00 -0.06 -1.48 -0.54 0.00 0.00 174.62 172.57 1r6q s LEU 103 N -3.53 2.44 -0.08 4.79 0.05 -1.26 0.24 118.68 121.33 1r6q s LEU 103 Ca 0.29 -0.88 -0.13 0.00 0.05 0.00 0.00 54.13 53.46 1r6q s LEU 103 Cb 0.03 -0.06 0.03 0.00 -2.05 0.00 0.00 46.19 44.14 1r6q s LEU 103 CO 0.17 -0.41 0.32 -1.61 -0.55 0.00 0.00 176.35 174.26 1r6q s GLU 104 N -3.23 0.49 0.21 1.48 2.02 -0.48 -4.97 118.70 114.23 1r6q s GLU 104 Ca 0.05 0.20 -0.32 0.00 0.02 0.00 0.00 54.97 54.92 1r6q s GLU 104 Cb 0.01 0.23 -0.14 0.00 0.10 0.00 0.00 34.13 34.34 1r6q s GLU 104 CO -0.04 -0.10 1.43 1.63 0.02 0.00 0.00 175.26 178.20 1r6q n LYS 105 N 2.26 1.97 0.00 1.61 5.02 -1.26 0.11 118.16 127.87 1r6q n LYS 105 Ca -0.16 0.70 0.09 0.00 -2.02 0.00 0.00 58.31 56.92 1r6q n LYS 105 Cb 0.57 -2.37 0.56 0.00 -0.02 0.00 0.00 35.03 33.76 1r6q n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88