#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcm s SER 1 N 0.00 5.05 0.08 7.83 1.04 -1.26 -4.85 113.70 121.59 3hcm s SER 1 Ca 0.00 0.90 -0.25 0.00 0.48 0.00 0.00 55.95 57.08 3hcm s SER 1 Cb 0.00 -1.59 -0.16 0.00 0.10 0.00 0.00 66.02 64.37 3hcm s SER 1 CO 0.00 -1.55 1.69 -0.33 0.98 0.00 0.00 173.24 174.03 3hcm h GLU 2 N -0.76 -0.17 -0.40 4.02 4.39 -2.05 -0.16 114.58 119.46 3hcm h GLU 2 Ca -0.45 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.34 3hcm h GLU 2 Cb 1.29 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.89 3hcm h GLU 2 CO 0.64 -0.09 -0.23 1.25 -1.16 0.00 0.00 179.01 179.42 3hcm h LEU 3 N -0.20 -0.79 -1.09 1.33 5.85 -1.98 0.25 115.31 118.68 3hcm h LEU 3 Ca -0.02 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.94 3hcm h LEU 3 Cb 0.15 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3hcm h LEU 3 CO 0.03 -0.26 0.61 -0.33 -0.34 0.00 0.00 178.44 178.15 3hcm h GLU 4 N -0.16 1.05 -0.53 1.25 5.08 -1.86 -0.14 114.58 119.26 3hcm h GLU 4 Ca 0.19 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3hcm h GLU 4 Cb 0.47 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3hcm h GLU 4 CO -0.50 0.69 -0.05 0.87 -1.00 0.00 0.00 179.01 179.02 3hcm h LYS 5 N 1.08 0.94 -0.48 2.33 1.57 -0.59 -2.50 116.57 118.92 3hcm h LYS 5 Ca 0.41 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 58.76 3hcm h LYS 5 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3hcm h LYS 5 CO -0.16 0.96 -0.19 0.00 -0.57 0.00 0.00 179.45 179.49 3hcm h ALA 6 N 1.07 0.74 -0.75 3.86 0.00 0.76 -1.65 119.26 123.30 3hcm h ALA 6 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hcm h ALA 6 Cb 0.58 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3hcm h ALA 6 CO 0.03 0.67 0.43 0.52 0.00 0.00 0.00 179.25 180.90 3hcm h MET 7 N 0.84 1.04 -0.08 0.00 2.86 -1.09 -2.56 114.93 115.94 3hcm h MET 7 Ca 0.11 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3hcm h MET 7 Cb 0.76 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3hcm h MET 7 CO 0.06 0.76 0.03 0.28 1.06 0.00 0.00 176.91 179.10 3hcm h VAL 8 N 1.04 1.16 -0.58 -2.22 2.07 -1.23 -2.73 116.25 113.74 3hcm h VAL 8 Ca 0.27 -0.47 0.17 0.00 0.82 0.00 0.00 66.70 67.49 3hcm h VAL 8 Cb 0.00 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3hcm h VAL 8 CO -0.05 0.13 0.42 0.00 0.02 0.00 0.00 177.57 178.10 3hcm h ALA 9 N 0.85 2.54 -0.16 1.67 0.00 -1.22 0.10 119.26 123.05 3hcm h ALA 9 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hcm h ALA 9 Cb 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hcm h ALA 9 CO -0.00 -0.71 -0.25 -0.07 0.00 0.00 0.00 179.25 178.22 3hcm h LEU 10 N 0.01 0.49 -0.41 0.00 3.38 -1.16 0.10 115.31 117.72 3hcm h LEU 10 Ca 0.28 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3hcm h LEU 10 Cb 1.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3hcm h LEU 10 CO -0.01 0.92 0.11 0.40 0.09 0.00 0.00 178.44 179.96 3hcm h ILE 11 N 0.07 1.23 -0.48 1.22 2.04 -1.15 -2.35 117.51 118.09 3hcm h ILE 11 Ca 0.01 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 3hcm h ILE 11 Cb 0.82 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3hcm h ILE 11 CO 0.06 0.27 0.17 -0.78 0.00 0.00 0.00 178.15 177.87 3hcm h ASP 12 N 0.53 0.68 -0.24 1.72 3.58 -0.75 0.48 116.42 122.42 3hcm h ASP 12 Ca 0.13 -0.19 -0.15 0.00 0.42 0.00 0.00 57.03 57.25 3hcm h ASP 12 Cb 0.30 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3hcm h ASP 12 CO -0.00 0.68 -0.38 1.62 -2.88 0.00 0.00 179.24 178.28 3hcm h VAL 13 N 0.63 1.28 -1.00 2.25 3.04 -0.87 -1.06 116.25 120.53 3hcm h VAL 13 Ca 0.16 -1.55 0.04 0.00 -1.01 0.00 0.00 66.70 64.33 3hcm h VAL 13 Cb 0.23 1.43 -0.06 0.00 -2.01 0.00 0.00 31.29 30.89 3hcm h VAL 13 CO -0.01 0.51 0.66 0.15 -1.01 0.00 0.00 177.57 177.87 3hcm h PHE 14 N 0.64 1.23 -0.00 3.17 3.57 -1.15 -2.75 116.94 121.65 3hcm h PHE 14 Ca 0.06 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.33 3hcm h PHE 14 Cb 0.93 -0.41 0.02 0.00 2.79 0.00 0.00 35.95 39.28 3hcm h PHE 14 CO 0.05 0.71 -1.02 0.45 -2.23 0.00 0.00 178.31 176.27 3hcm h HIS 15 N 1.27 0.96 -0.45 0.41 3.86 -0.73 0.29 115.15 120.76 3hcm h HIS 15 Ca 0.40 -0.52 0.07 0.00 -1.16 0.00 0.00 60.37 59.15 3hcm h HIS 15 Cb 0.01 -0.11 -0.09 0.00 1.06 0.00 0.00 27.41 28.28 3hcm h HIS 15 CO -0.00 1.36 -0.48 0.37 0.86 0.00 0.00 177.93 180.04 3hcm h GLN 16 N 0.37 -0.32 0.19 2.45 4.15 -1.14 -1.65 115.11 119.16 3hcm h GLN 16 Ca -0.12 0.02 -0.31 0.00 0.77 0.00 0.00 58.65 59.02 3hcm h GLN 16 Cb 1.67 0.07 0.02 0.00 0.21 0.00 0.00 27.48 29.45 3hcm h GLN 16 CO 0.20 -0.21 -1.38 1.88 -1.93 0.00 0.00 178.83 177.39 3hcm h TYR 17 N -0.33 0.73 0.00 3.99 -1.99 -1.49 -3.32 116.97 114.56 3hcm h TYR 17 Ca 0.12 -0.53 -0.04 0.00 2.00 0.00 0.00 58.73 60.29 3hcm h TYR 17 Cb 0.58 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.28 3hcm h TYR 17 CO -0.68 1.43 -0.17 0.66 -0.00 0.00 0.00 178.16 179.39 3hcm h SER 18 N 0.11 0.00 -0.36 3.88 4.64 -0.27 -3.17 113.55 118.38 3hcm h SER 18 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3hcm h SER 18 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 3hcm h SER 18 CO 0.24 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 3hcm n GLY 19 N -0.30 2.38 0.09 -0.77 0.00 -0.63 -4.17 105.19 101.78 3hcm n GLY 19 Ca -0.01 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 3hcm n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hcm h ARG 20 N 2.48 0.00 -4.49 1.61 3.08 -1.73 -3.48 114.38 111.86 3hcm h ARG 20 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 3hcm h ARG 20 Cb 1.39 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.15 3hcm h ARG 20 CO 0.30 0.86 -0.77 -1.21 -1.07 0.00 0.00 179.97 178.08 3hcm s GLU 21 N -2.26 0.67 5.75 0.04 2.02 -1.26 -5.08 118.70 118.57 3hcm s GLU 21 Ca -0.23 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.51 3hcm s GLU 21 Cb 0.02 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.61 3hcm s GLU 21 CO 0.56 0.12 0.00 0.41 0.02 0.00 0.00 175.26 176.38 3hcm n GLY 22 N 3.08 2.43 3.46 -1.39 0.00 -1.26 -4.54 105.19 106.98 3hcm n GLY 22 Ca -0.15 -0.47 -0.57 0.00 0.00 0.00 0.00 46.02 44.83 3hcm n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hcm n ASP 23 N 2.14 1.65 0.30 1.61 -0.08 -1.26 -4.83 116.55 116.08 3hcm n ASP 23 Ca 0.00 0.71 0.17 0.00 -1.51 0.00 0.00 54.79 54.16 3hcm n ASP 23 Cb 0.00 -1.08 0.95 0.00 2.34 0.00 0.00 41.12 43.33 3hcm n ASP 23 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3hcm h LYS 24 N 9.54 0.00 -0.01 -0.67 1.79 -1.80 -3.12 116.57 122.31 3hcm h LYS 24 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 3hcm h LYS 24 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 3hcm h LYS 24 CO 1.03 0.03 -0.44 0.72 -1.08 0.00 0.00 179.45 179.70 3hcm n HIS 25 N -3.54 0.00 -4.23 -1.35 8.25 -1.26 -2.88 115.22 110.21 3hcm n HIS 25 Ca -0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.25 3hcm n HIS 25 Cb 0.12 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 3hcm n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3hcm s LYS 26 N -2.48 0.98 -0.36 -0.41 1.02 -1.18 -4.42 119.74 112.89 3hcm s LYS 26 Ca 0.19 -1.15 -0.14 0.00 0.02 0.00 0.00 55.97 54.90 3hcm s LYS 26 Cb 0.18 -0.95 -0.01 0.00 -0.52 0.00 0.00 37.83 36.54 3hcm s LYS 26 CO 0.56 0.20 0.28 -0.51 -0.92 0.00 0.00 175.35 174.96 3hcm s LEU 27 N -2.18 4.66 0.94 3.17 1.43 0.13 -4.50 118.68 122.32 3hcm s LEU 27 Ca 0.05 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 3hcm s LEU 27 Cb -0.07 -2.18 0.16 0.00 0.03 0.00 0.00 46.19 44.13 3hcm s LEU 27 CO 0.03 -0.31 1.20 -1.59 0.23 0.00 0.00 176.35 175.91 3hcm s LYS 28 N 1.77 0.90 0.26 1.70 -2.85 -1.26 -0.74 119.74 119.53 3hcm s LYS 28 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 55.97 55.03 3hcm s LYS 28 Cb -0.18 -1.84 0.55 0.00 -2.06 0.00 0.00 37.83 34.31 3hcm s LYS 28 CO 0.11 -2.30 1.75 0.87 0.10 0.00 0.00 175.35 175.88 3hcm h LYS 29 N -1.57 0.57 0.00 1.78 1.57 -1.96 0.41 116.57 117.36 3hcm h LYS 29 Ca -0.47 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.16 3hcm h LYS 29 Cb 1.30 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 3hcm h LYS 29 CO 0.53 0.37 -0.57 0.66 -0.57 0.00 0.00 179.45 179.87 3hcm h SER 30 N 0.58 0.00 0.09 0.86 4.64 -1.98 0.40 113.55 118.14 3hcm h SER 30 Ca 0.47 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.50 3hcm h SER 30 Cb 0.70 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.82 3hcm h SER 30 CO -0.39 0.57 -1.19 -0.33 -0.87 0.00 0.00 176.83 174.62 3hcm h GLU 31 N 0.00 0.65 -0.63 4.77 5.08 -1.71 -2.99 114.58 119.74 3hcm h GLU 31 Ca -0.01 -0.82 -0.02 0.00 -1.00 0.00 0.00 59.36 57.52 3hcm h GLU 31 Cb 1.16 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 3hcm h GLU 31 CO 0.07 1.37 0.33 1.25 -1.00 0.00 0.00 179.01 181.03 3hcm h LEU 32 N 0.32 0.81 -0.66 1.33 5.85 -0.79 -1.19 115.31 120.98 3hcm h LEU 32 Ca -0.17 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 3hcm h LEU 32 Cb 1.85 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 3hcm h LEU 32 CO 0.23 0.69 -0.00 0.50 -0.34 0.00 0.00 178.44 179.52 3hcm h LYS 33 N 0.87 1.04 -0.09 1.25 3.64 -0.99 -1.90 116.57 120.39 3hcm h LYS 33 Ca 0.22 -0.33 -0.15 0.00 -1.27 0.00 0.00 60.65 59.13 3hcm h LYS 33 Cb 0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3hcm h LYS 33 CO -0.03 1.02 -0.59 0.93 -2.27 0.00 0.00 179.45 178.51 3hcm h GLU 34 N 0.95 0.29 -0.24 1.90 4.39 -1.47 -1.58 114.58 118.83 3hcm h GLU 34 Ca 0.17 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3hcm h GLU 34 Cb 0.55 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3hcm h GLU 34 CO 0.03 0.80 0.13 1.25 -1.16 0.00 0.00 179.01 180.05 3hcm h LEU 35 N 0.22 0.30 -0.35 1.33 6.46 -0.95 -1.47 115.31 120.86 3hcm h LEU 35 Ca -0.00 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 3hcm h LEU 35 Cb 1.09 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 3hcm h LEU 35 CO 0.09 0.32 0.16 0.40 -0.62 0.00 0.00 178.44 178.79 3hcm h ILE 36 N 0.27 1.17 0.00 4.05 2.04 -1.26 -0.41 117.51 123.37 3hcm h ILE 36 Ca 0.08 -0.49 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 3hcm h ILE 36 Cb 0.08 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3hcm h ILE 36 CO -0.01 0.18 -0.66 0.78 0.00 0.00 0.00 178.15 178.44 3hcm h ASN 37 N 0.43 0.00 0.05 1.72 -0.26 -1.23 -0.99 115.58 115.30 3hcm h ASN 37 Ca 0.12 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.61 3hcm h ASN 37 Cb 0.13 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.35 3hcm h ASN 37 CO -0.01 0.66 -2.20 0.59 -1.06 0.00 0.00 177.43 175.40 3hcm n ASN 38 N -3.67 0.07 0.00 5.81 3.02 -0.56 -4.35 115.26 115.59 3hcm n ASN 38 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3hcm n ASN 38 Cb 0.67 1.22 0.00 0.00 -0.61 0.00 0.00 39.78 41.06 3hcm n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hcm n GLU 39 N -2.62 5.01 -0.68 3.52 -0.58 -0.16 -4.65 120.64 120.47 3hcm n GLU 39 Ca -0.23 -0.10 0.05 0.00 -0.42 0.00 0.00 57.16 56.46 3hcm n GLU 39 Cb 0.97 -0.59 0.10 0.00 -0.57 0.00 0.00 31.44 31.35 3hcm n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3hcm n LEU 40 N -0.75 1.58 0.07 -4.62 4.77 -0.38 -4.84 117.00 112.83 3hcm n LEU 40 Ca 0.00 -2.57 0.17 0.00 -0.03 0.00 0.00 56.01 53.58 3hcm n LEU 40 Cb 0.00 -0.25 0.68 0.00 -2.33 0.00 0.00 43.42 41.52 3hcm n LEU 40 CO 0.00 0.75 1.16 0.77 -1.33 0.00 0.00 177.39 178.73 3hcm h SER 41 N 0.54 0.00 0.90 -1.43 4.64 -1.75 0.37 113.55 116.82 3hcm h SER 41 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hcm h SER 41 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3hcm h SER 41 CO 0.03 0.00 -0.94 1.41 -0.87 0.00 0.00 176.83 176.46 3hcm n HIS 42 N -4.40 0.81 -0.13 4.77 8.25 -1.26 -4.54 115.22 118.72 3hcm n HIS 42 Ca 0.06 0.24 -0.25 0.00 -0.26 0.00 0.00 57.72 57.51 3hcm n HIS 42 Cb 0.47 -0.84 -0.08 0.00 1.12 0.00 0.00 29.99 30.66 3hcm n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hcm n PHE 43 N -2.48 0.00 -4.20 4.41 3.72 -0.07 -5.04 117.46 113.79 3hcm n PHE 43 Ca 0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 3hcm n PHE 43 Cb 0.52 -0.87 -0.06 0.00 -0.94 0.00 0.00 39.48 38.12 3hcm n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hcm s LEU 44 N -7.59 3.46 0.24 4.37 1.43 0.11 -5.09 118.68 115.61 3hcm s LEU 44 Ca -0.36 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.01 3hcm s LEU 44 Cb 0.12 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 3hcm s LEU 44 CO 0.47 0.01 1.45 -1.61 0.23 0.00 0.00 176.35 176.90 3hcm s GLU 45 N -3.54 4.26 0.16 1.70 2.02 -1.26 -4.45 118.70 117.59 3hcm s GLU 45 Ca 0.31 2.30 -0.34 0.00 0.02 0.00 0.00 54.97 57.27 3hcm s GLU 45 Cb -0.08 -3.12 -0.16 0.00 0.10 0.00 0.00 34.13 30.88 3hcm s GLU 45 CO 0.21 -0.44 1.21 -1.91 0.02 0.00 0.00 175.26 174.35 3hcm n GLU 46 N 2.56 1.20 -3.04 1.61 2.13 -1.26 -4.93 120.64 118.91 3hcm n GLU 46 Ca 0.08 0.43 -0.41 0.00 0.66 0.00 0.00 57.16 57.92 3hcm n GLU 46 Cb 0.40 -1.96 -0.05 0.00 0.27 0.00 0.00 31.44 30.10 3hcm n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3hcm s ILE 47 N -0.05 4.96 -0.01 6.31 1.01 -1.26 -4.88 121.20 127.28 3hcm s ILE 47 Ca 0.75 1.32 0.02 0.00 0.00 0.00 0.00 60.65 62.74 3hcm s ILE 47 Cb -0.86 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 37.63 3hcm s ILE 47 CO 0.51 0.05 0.77 0.29 0.00 0.00 0.00 174.94 176.57 3hcm n LYS 48 N 5.35 0.90 -4.34 2.79 4.01 -1.26 -5.03 118.16 120.58 3hcm n LYS 48 Ca 0.01 -1.04 -0.26 0.00 -0.51 0.00 0.00 58.31 56.51 3hcm n LYS 48 Cb 0.49 -0.72 -0.17 0.00 -0.51 0.00 0.00 35.03 34.12 3hcm n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 3hcm s GLU 49 N -0.53 1.78 0.26 1.97 2.02 -1.26 -5.03 118.70 117.91 3hcm s GLU 49 Ca 0.03 -0.40 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 3hcm s GLU 49 Cb 0.03 -1.59 0.46 0.00 0.10 0.00 0.00 34.13 33.14 3hcm s GLU 49 CO 0.00 -0.09 1.81 0.37 0.02 0.00 0.00 175.26 177.37 3hcm h GLN 50 N 7.45 0.79 -0.96 1.61 5.75 -2.00 0.89 115.11 128.65 3hcm h GLN 50 Ca -0.31 -0.05 0.24 0.00 -0.15 0.00 0.00 58.65 58.38 3hcm h GLN 50 Cb 1.17 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 29.47 3hcm h GLN 50 CO 0.46 0.52 0.64 0.93 -2.65 0.00 0.00 178.83 178.74 3hcm h GLU 51 N 0.82 0.29 0.15 1.69 3.07 -1.99 -0.44 114.58 118.16 3hcm h GLU 51 Ca 0.44 -0.02 -0.24 0.00 -0.50 0.00 0.00 59.36 59.04 3hcm h GLU 51 Cb 0.45 -0.06 0.03 0.00 -0.84 0.00 0.00 28.75 28.32 3hcm h GLU 51 CO -0.27 0.19 -1.02 0.28 -1.40 0.00 0.00 179.01 176.79 3hcm h VAL 52 N 0.29 1.42 -0.65 3.13 2.07 -1.25 -0.83 116.25 120.43 3hcm h VAL 52 Ca 0.50 -2.52 0.13 0.00 0.82 0.00 0.00 66.70 65.63 3hcm h VAL 52 Cb 1.44 3.03 -0.12 0.00 -1.52 0.00 0.00 31.29 34.12 3hcm h VAL 52 CO -0.16 0.73 -0.18 0.58 0.02 0.00 0.00 177.57 178.56 3hcm h VAL 53 N -0.12 0.32 0.03 2.57 2.07 -1.02 -1.74 116.25 118.36 3hcm h VAL 53 Ca -0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3hcm h VAL 53 Cb 1.78 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3hcm h VAL 53 CO 0.19 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 178.21 3hcm h ASP 54 N -0.02 -0.03 -0.80 0.57 3.32 -1.04 -1.89 116.42 116.53 3hcm h ASP 54 Ca 0.31 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 57.06 3hcm h ASP 54 Cb 0.49 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.00 3hcm h ASP 54 CO -0.68 0.32 0.51 0.11 -1.72 0.00 0.00 179.24 177.78 3hcm h LYS 55 N -0.39 0.95 -0.41 3.56 1.79 -1.05 0.45 116.57 121.46 3hcm h LYS 55 Ca -0.00 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 3hcm h LYS 55 Cb 0.37 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 3hcm h LYS 55 CO 0.01 0.63 0.13 0.28 -1.08 0.00 0.00 179.45 179.41 3hcm h VAL 56 N 0.97 1.22 -0.55 0.50 2.07 -1.30 -0.66 116.25 118.50 3hcm h VAL 56 Ca 0.33 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 3hcm h VAL 56 Cb 0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3hcm h VAL 56 CO -0.13 0.25 0.09 -0.03 0.02 0.00 0.00 177.57 177.78 3hcm h MET 57 N 0.52 0.91 -0.08 1.57 1.85 -0.97 -1.28 114.93 117.44 3hcm h MET 57 Ca 0.13 -0.24 0.01 0.00 -0.61 0.00 0.00 59.70 58.99 3hcm h MET 57 Cb 0.26 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 3hcm h MET 57 CO -0.00 0.87 0.03 0.93 -0.40 0.00 0.00 176.91 178.34 3hcm h GLU 58 N 0.80 0.08 -0.83 0.39 5.08 -0.82 0.11 114.58 119.38 3hcm h GLU 58 Ca 0.17 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.67 3hcm h GLU 58 Cb 0.40 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.54 3hcm h GLU 58 CO 0.01 0.05 0.42 1.15 -1.00 0.00 0.00 179.01 179.64 3hcm h THR 59 N 0.08 0.72 0.02 1.13 2.02 -0.81 -3.23 112.91 112.84 3hcm h THR 59 Ca 0.03 -0.21 -0.26 0.00 0.77 0.00 0.00 66.41 66.75 3hcm h THR 59 Cb 0.01 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.46 3hcm h THR 59 CO -0.03 0.11 -1.36 -0.07 0.37 0.00 0.00 175.52 174.54 3hcm h LEU 60 N 0.60 0.08 -8.41 2.58 3.38 -0.88 -3.44 115.31 109.21 3hcm h LEU 60 Ca 0.45 -0.11 -0.54 0.00 0.09 0.00 0.00 57.88 57.78 3hcm h LEU 60 Cb 0.65 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 3hcm h LEU 60 CO -0.37 1.09 1.06 -0.62 0.09 0.00 0.00 178.44 179.70 3hcm s ASP 61 N -6.54 6.16 0.17 -0.43 2.15 0.33 -4.84 116.67 113.68 3hcm s ASP 61 Ca -0.03 -0.29 0.21 0.00 0.43 0.00 0.00 52.55 52.87 3hcm s ASP 61 Cb 0.09 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 3hcm s ASP 61 CO 0.83 -1.80 1.00 0.78 -0.17 0.00 0.00 175.17 175.81 3hcm h ASN 62 N 10.24 0.00 0.02 -0.34 2.35 -1.86 -3.31 115.58 122.68 3hcm h ASN 62 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3hcm h ASN 62 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3hcm h ASN 62 CO 1.26 0.19 -0.22 -0.90 -1.65 0.00 0.00 177.43 176.10 3hcm n ASP 63 N -2.77 2.14 -3.21 5.81 5.68 -1.26 -5.00 116.55 117.94 3hcm n ASP 63 Ca -0.03 -1.58 -0.23 0.00 -0.50 0.00 0.00 54.79 52.45 3hcm n ASP 63 Cb 0.64 0.21 0.04 0.00 -1.14 0.00 0.00 41.12 40.87 3hcm n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hcm n GLY 64 N 1.35 -0.52 0.80 6.12 0.00 -1.25 -4.90 105.19 106.80 3hcm n GLY 64 Ca 0.13 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.39 3hcm n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hcm n ASP 65 N -2.61 2.37 0.00 1.61 5.75 -1.26 -4.96 116.55 117.45 3hcm n ASP 65 Ca -0.07 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 3hcm n ASP 65 Cb 0.60 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3hcm n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hcm n GLY 66 N 1.25 0.47 3.52 6.12 0.00 -1.26 -4.98 105.19 110.31 3hcm n GLY 66 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3hcm n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hcm s GLU 67 N -0.57 1.76 -0.30 1.61 2.02 -1.26 -4.51 118.70 117.44 3hcm s GLU 67 Ca 0.00 -1.93 -0.02 0.00 0.02 0.00 0.00 54.97 53.04 3hcm s GLU 67 Cb 0.00 -1.49 0.05 0.00 0.10 0.00 0.00 34.13 32.79 3hcm s GLU 67 CO 0.00 0.06 -0.00 0.00 0.02 0.00 0.00 175.26 175.34 3hcm n ASP 69 N 4.64 0.88 -0.20 0.00 5.68 -1.26 0.17 116.55 126.45 3hcm n ASP 69 Ca -0.13 -1.80 0.01 0.00 -0.50 0.00 0.00 54.79 52.36 3hcm n ASP 69 Cb 0.44 -0.57 0.26 0.00 -1.14 0.00 0.00 41.12 40.10 3hcm n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3hcm h PHE 70 N -0.76 0.92 -0.30 2.11 3.57 -2.00 -0.63 116.94 119.84 3hcm h PHE 70 Ca -0.28 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.13 3hcm h PHE 70 Cb 0.96 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3hcm h PHE 70 CO 0.00 0.58 -0.28 0.37 -2.23 0.00 0.00 178.31 176.75 3hcm h GLN 71 N 0.98 0.61 -0.01 1.11 4.15 -1.98 -1.71 115.11 118.27 3hcm h GLN 71 Ca 0.27 -0.26 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 3hcm h GLN 71 Cb -0.11 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 3hcm h GLN 71 CO -0.06 0.83 -0.76 0.93 -1.93 0.00 0.00 178.83 177.84 3hcm h GLU 72 N 0.53 0.09 -0.24 1.69 5.08 -1.70 -2.35 114.58 117.68 3hcm h GLU 72 Ca 0.07 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 3hcm h GLU 72 Cb 0.76 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3hcm h GLU 72 CO 0.06 0.81 -0.57 0.35 -1.00 0.00 0.00 179.01 178.66 3hcm h PHE 73 N 0.05 0.93 -0.96 4.33 3.57 -0.97 -2.37 116.94 121.53 3hcm h PHE 73 Ca -0.02 -0.34 0.01 0.00 3.53 0.00 0.00 57.97 61.16 3hcm h PHE 73 Cb 1.34 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 3hcm h PHE 73 CO 0.01 1.13 0.63 0.52 -2.23 0.00 0.00 178.31 178.37 3hcm h MET 74 N 0.56 1.25 -0.45 1.11 2.86 -1.13 0.10 114.93 119.23 3hcm h MET 74 Ca 0.01 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 3hcm h MET 74 Cb 1.15 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3hcm h MET 74 CO 0.12 0.83 -0.17 0.00 1.06 0.00 0.00 176.91 178.75 3hcm h ALA 75 N 1.41 0.85 -0.03 6.32 0.00 -1.34 -1.75 119.26 124.73 3hcm h ALA 75 Ca 0.35 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hcm h ALA 75 Cb -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hcm h ALA 75 CO -0.08 0.64 -0.08 0.35 0.00 0.00 0.00 179.25 180.08 3hcm h PHE 76 N 0.77 -0.21 -0.53 0.00 3.57 -0.87 -0.97 116.94 118.71 3hcm h PHE 76 Ca 0.11 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 3hcm h PHE 76 Cb 0.69 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 3hcm h PHE 76 CO 0.04 -0.13 0.11 0.28 -2.23 0.00 0.00 178.31 176.38 3hcm h VAL 77 N -0.13 0.71 -0.54 1.41 2.07 -0.54 -0.74 116.25 118.48 3hcm h VAL 77 Ca 0.04 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.38 3hcm h VAL 77 Cb 0.19 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hcm h VAL 77 CO -0.11 0.05 -0.06 0.00 0.02 0.00 0.00 177.57 177.47 3hcm h ALA 78 N 1.41 0.87 -0.15 1.67 0.00 -1.16 -0.14 119.26 121.75 3hcm h ALA 78 Ca 0.27 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3hcm h ALA 78 Cb 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hcm h ALA 78 CO -0.34 0.65 -0.46 0.52 0.00 0.00 0.00 179.25 179.62 3hcm h MET 79 N 0.88 0.39 0.02 0.00 2.07 -0.43 -0.12 114.93 117.74 3hcm h MET 79 Ca 0.15 -0.21 -0.00 0.00 -2.07 0.00 0.00 59.70 57.57 3hcm h MET 79 Cb 0.60 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 3hcm h MET 79 CO 0.04 0.77 -0.01 0.28 1.07 0.00 0.00 176.91 179.06 3hcm h VAL 80 N 0.31 1.33 -0.66 -2.22 2.07 -0.92 -2.21 116.25 113.95 3hcm h VAL 80 Ca 0.02 -1.10 0.14 0.00 0.82 0.00 0.00 66.70 66.58 3hcm h VAL 80 Cb 0.94 2.06 -0.11 0.00 -1.52 0.00 0.00 31.29 32.66 3hcm h VAL 80 CO 0.08 0.28 0.03 0.74 0.02 0.00 0.00 177.57 178.72 3hcm h THR 81 N -0.51 0.47 0.17 2.57 2.02 -0.99 0.19 112.91 116.83 3hcm h THR 81 Ca -0.00 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3hcm h THR 81 Cb 0.48 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3hcm h THR 81 CO 0.00 0.03 -0.11 0.74 0.37 0.00 0.00 175.52 176.55 3hcm h THR 82 N 0.14 0.76 0.00 3.16 2.02 -1.05 0.65 112.91 118.58 3hcm h THR 82 Ca 0.35 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.53 3hcm h THR 82 Cb 0.58 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3hcm h THR 82 CO -0.55 0.00 -0.00 0.00 0.37 0.00 0.00 175.52 175.34 3hcm h ALA 83 N 0.55 1.02 0.05 6.16 0.00 -0.63 0.10 119.26 126.50 3hcm h ALA 83 Ca -0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3hcm h ALA 83 Cb 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hcm h ALA 83 CO 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.82 3hcm h HIS 85 N -0.50 0.95 0.00 0.00 6.17 0.26 0.21 115.15 122.25 3hcm h HIS 85 Ca -0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.04 3hcm h HIS 85 Cb 1.26 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.90 3hcm h HIS 85 CO 0.20 0.40 0.02 0.39 0.71 0.00 0.00 177.93 179.65 3hcm n GLU 86 N -4.69 0.00 -0.06 5.26 -0.58 -0.13 0.40 120.64 120.84 3hcm n GLU 86 Ca 0.15 0.03 -0.02 0.00 -0.42 0.00 0.00 57.16 56.90 3hcm n GLU 86 Cb 0.28 -1.52 -0.16 0.00 -0.57 0.00 0.00 31.44 29.48 3hcm n GLU 86 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hcm n PHE 87 N -0.87 0.11 0.02 -0.32 7.35 0.74 -3.70 117.46 120.79 3hcm n PHE 87 Ca 0.00 0.04 -0.09 0.00 -0.76 0.00 0.00 57.45 56.64 3hcm n PHE 87 Cb 0.02 -0.85 0.05 0.00 0.35 0.00 0.00 39.48 39.05 3hcm n PHE 87 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 3hcm n PHE 88 N -2.61 1.00 1.62 -5.13 3.01 0.16 -5.17 117.46 110.34 3hcm n PHE 88 Ca -0.21 -1.11 0.14 0.00 1.01 0.00 0.00 57.45 57.28 3hcm n PHE 88 Cb 0.93 -0.56 0.62 0.00 -0.01 0.00 0.00 39.48 40.47 3hcm n PHE 88 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16