#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bwe s LEU 3 N 0.00 4.32 -0.19 2.46 1.43 0.19 -4.93 118.68 121.96 2bwe s LEU 3 Ca 0.00 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.37 2bwe s LEU 3 Cb 0.00 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.26 2bwe s LEU 3 CO 0.00 0.09 0.07 0.21 0.23 0.00 0.00 176.35 176.95 2bwe s ASN 4 N -2.80 2.73 0.02 2.29 3.84 -1.26 -1.05 114.94 118.70 2bwe s ASN 4 Ca 0.36 -0.78 0.07 0.00 0.21 0.00 0.00 52.86 52.72 2bwe s ASN 4 Cb -0.12 -0.43 -0.03 0.00 -0.55 0.00 0.00 41.25 40.12 2bwe s ASN 4 CO 0.28 -0.34 -0.20 -0.63 -2.79 0.00 0.00 177.10 173.42 2bwe s ILE 5 N 1.99 2.62 0.27 -5.21 1.01 -0.63 -1.75 121.20 119.50 2bwe s ILE 5 Ca 0.01 -1.13 -0.24 0.00 0.00 0.00 0.00 60.65 59.30 2bwe s ILE 5 Cb -0.17 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.16 2bwe s ILE 5 CO -0.11 0.42 0.85 -1.00 0.00 0.00 0.00 174.94 175.10 2bwe s HIS 6 N -0.83 3.69 -0.03 3.97 3.76 -0.41 -1.55 115.29 123.90 2bwe s HIS 6 Ca 0.13 1.63 0.07 0.00 -0.15 0.00 0.00 55.06 56.73 2bwe s HIS 6 Cb -0.10 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.77 2bwe s HIS 6 CO 0.03 0.28 -0.23 0.42 -0.85 0.00 0.00 174.74 174.39 2bwe s ILE 7 N -1.54 2.32 -0.01 0.60 -1.09 -0.26 -0.86 121.20 120.35 2bwe s ILE 7 Ca 0.46 -1.00 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 2bwe s ILE 7 Cb -0.18 -1.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.86 2bwe s ILE 7 CO 0.23 0.58 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.88 2bwe s LYS 8 N -0.63 0.88 0.29 2.79 1.02 -1.02 -2.63 119.74 120.45 2bwe s LYS 8 Ca 0.10 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.78 2bwe s LYS 8 Cb -0.10 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.33 2bwe s LYS 8 CO -0.00 0.18 0.17 -1.12 -0.92 0.00 0.00 175.35 173.65 2bwe s SER 9 N -0.07 1.38 0.00 2.83 0.01 -1.12 0.65 113.70 117.38 2bwe s SER 9 Ca 0.01 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 55.71 2bwe s SER 9 Cb -0.06 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2bwe s SER 9 CO -0.00 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2bwe n GLY 10 N -0.55 0.02 1.07 3.44 0.00 -1.26 -0.11 105.19 107.81 2bwe n GLY 10 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 2bwe n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bwe n GLN 11 N 0.00 1.84 -4.04 1.61 0.00 -1.26 -5.07 117.38 110.46 2bwe n GLN 11 Ca 0.00 -3.35 -0.27 0.00 0.00 0.00 0.00 57.00 53.38 2bwe n GLN 11 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 30.24 28.61 2bwe n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2bwe s ASP 12 N -3.20 5.77 0.13 2.61 1.01 0.85 -5.13 116.67 118.70 2bwe s ASP 12 Ca 0.40 -0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.68 2bwe s ASP 12 Cb 0.38 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.67 2bwe s ASP 12 CO -0.06 0.08 -0.09 -0.54 0.21 0.00 0.00 175.17 174.77 2bwe s LYS 13 N -3.02 0.96 -0.21 8.23 3.01 -1.26 -2.77 119.74 124.68 2bwe s LYS 13 Ca 0.32 -1.36 -0.20 0.00 -1.01 0.00 0.00 55.97 53.71 2bwe s LYS 13 Cb -0.11 -0.51 0.06 0.00 -1.01 0.00 0.00 37.83 36.26 2bwe s LYS 13 CO 0.25 0.06 0.57 -1.58 0.51 0.00 0.00 175.35 175.15 2bwe s TRP 14 N -3.21 -0.62 -0.04 3.18 0.51 -1.08 -4.97 118.94 112.71 2bwe s TRP 14 Ca 0.13 1.50 -0.09 0.00 -2.12 0.00 0.00 56.10 55.52 2bwe s TRP 14 Cb 0.02 0.22 -0.05 0.00 -0.81 0.00 0.00 33.47 32.85 2bwe s TRP 14 CO -0.01 -0.31 0.26 -2.00 -0.51 0.00 0.00 176.95 174.38 2bwe s GLU 15 N 0.22 3.62 0.03 4.98 2.56 -1.26 -1.11 118.70 127.75 2bwe s GLU 15 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.97 55.02 2bwe s GLU 15 Cb -0.04 -3.16 -0.02 0.00 2.00 0.00 0.00 34.13 32.92 2bwe s GLU 15 CO 0.01 0.71 -0.06 0.14 -0.56 0.00 0.00 175.26 175.50 2bwe s VAL 16 N -1.14 0.42 -0.02 3.70 -7.23 -0.60 -4.99 120.40 110.54 2bwe s VAL 16 Ca 0.22 -0.85 -0.18 0.00 -1.81 0.00 0.00 61.98 59.35 2bwe s VAL 16 Cb -0.14 -0.48 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 2bwe s VAL 16 CO 0.11 -0.30 0.52 0.20 -0.31 0.00 0.00 175.10 175.32 2bwe s ASN 17 N -1.23 6.88 -0.08 4.85 0.01 -1.26 -1.60 114.94 122.50 2bwe s ASN 17 Ca -0.08 1.05 -0.08 0.00 -0.71 0.00 0.00 52.86 53.03 2bwe s ASN 17 Cb -0.08 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.28 2bwe s ASN 17 CO 0.00 0.16 0.22 -0.69 -1.51 0.00 0.00 177.10 175.28 2bwe s VAL 18 N -0.37 0.00 0.25 1.60 1.01 -0.22 -5.00 120.40 117.68 2bwe s VAL 18 Ca 0.28 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 2bwe s VAL 18 Cb -0.17 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 2bwe s VAL 18 CO 0.15 -0.02 1.11 0.00 0.00 0.00 0.00 175.10 176.34 2bwe s ALA 19 N 0.04 3.41 0.32 5.51 0.00 -1.26 0.55 121.76 130.31 2bwe s ALA 19 Ca -0.01 0.90 0.08 0.00 0.00 0.00 0.00 51.96 52.93 2bwe s ALA 19 Cb -0.02 -3.34 0.90 0.00 0.00 0.00 0.00 23.12 20.66 2bwe s ALA 19 CO 0.00 -0.20 1.64 -1.35 0.00 0.00 0.00 175.76 175.85 2bwe h PRO 20 N 4.18 0.20 -0.62 0.00 0.11 -1.93 -1.57 132.00 132.37 2bwe h PRO 20 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2bwe h PRO 20 Cb 1.21 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2bwe h PRO 20 CO 0.69 0.13 0.10 -0.85 -0.21 0.00 0.00 178.00 177.86 2bwe n GLU 21 N -5.20 4.38 -2.13 1.05 0.00 -1.26 -1.58 120.64 115.90 2bwe n GLU 21 Ca 0.27 -3.13 -0.36 0.00 0.00 0.00 0.00 57.16 53.93 2bwe n GLU 21 Cb 0.85 -2.23 0.01 0.00 0.00 0.00 0.00 31.44 30.07 2bwe n GLU 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2bwe s SER 22 N -0.95 5.58 1.11 -1.84 0.01 -0.59 -4.83 113.70 112.19 2bwe s SER 22 Ca 0.54 2.34 -0.16 0.00 1.31 0.00 0.00 55.95 59.99 2bwe s SER 22 Cb 0.42 -2.60 0.24 0.00 0.21 0.00 0.00 66.02 64.30 2bwe s SER 22 CO 0.15 -1.32 1.09 0.42 0.41 0.00 0.00 173.24 173.99 2bwe s THR 23 N -1.61 1.82 0.13 1.44 -4.23 -1.26 -1.59 115.64 110.34 2bwe s THR 23 Ca 0.72 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.37 2bwe s THR 23 Cb -0.29 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.09 2bwe s THR 23 CO 0.33 0.00 1.56 0.58 -0.54 0.00 0.00 174.62 176.55 2bwe h VAL 24 N -2.27 1.21 -0.60 2.29 2.07 -0.57 -2.25 116.25 116.13 2bwe h VAL 24 Ca -0.51 -2.18 -0.10 0.00 0.82 0.00 0.00 66.70 64.73 2bwe h VAL 24 Cb 1.32 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 2bwe h VAL 24 CO 0.47 0.58 -0.01 0.25 0.02 0.00 0.00 177.57 178.88 2bwe h LEU 25 N 0.00 1.03 -0.26 2.57 5.85 -1.62 0.45 115.31 123.33 2bwe h LEU 25 Ca -0.01 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2bwe h LEU 25 Cb 1.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 2bwe h LEU 25 CO 0.08 1.08 0.10 1.56 -0.34 0.00 0.00 178.44 180.91 2bwe h GLN 26 N 0.96 0.39 -0.62 1.25 7.50 -1.85 -1.57 115.11 121.18 2bwe h GLN 26 Ca 0.17 -0.08 0.06 0.00 0.50 0.00 0.00 58.65 59.30 2bwe h GLN 26 Cb 0.56 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.99 2bwe h GLN 26 CO 0.03 0.44 0.41 0.35 -1.50 0.00 0.00 178.83 178.56 2bwe h PHE 27 N 0.27 0.62 0.31 2.96 3.57 -1.14 0.24 116.94 123.76 2bwe h PHE 27 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2bwe h PHE 27 Cb 0.20 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2bwe h PHE 27 CO -0.00 0.34 -0.15 0.87 -2.23 0.00 0.00 178.31 177.14 2bwe h LYS 28 N 0.63 -0.40 -0.98 1.11 1.57 -0.47 -1.78 116.57 116.25 2bwe h LYS 28 Ca 0.26 0.03 0.29 0.00 -1.87 0.00 0.00 60.65 59.36 2bwe h LYS 28 Cb 0.24 0.09 -0.18 0.00 0.08 0.00 0.00 32.23 32.46 2bwe h LYS 28 CO -0.08 -0.07 0.11 0.93 -0.57 0.00 0.00 179.45 179.77 2bwe h GLU 29 N -0.91 0.02 -0.53 3.15 5.08 -1.05 -0.29 114.58 120.05 2bwe h GLU 29 Ca -0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2bwe h GLU 29 Cb 0.52 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2bwe h GLU 29 CO 0.07 0.01 0.20 0.00 -1.00 0.00 0.00 179.01 178.29 2bwe h ALA 30 N 1.97 0.69 0.62 3.43 0.00 -0.68 0.12 119.26 125.41 2bwe h ALA 30 Ca 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2bwe h ALA 30 Cb 1.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2bwe h ALA 30 CO -0.88 0.32 -0.47 0.82 0.00 0.00 0.00 179.25 179.04 2bwe h ILE 31 N 0.73 0.00 -0.82 0.00 2.04 -0.32 -3.24 117.51 115.89 2bwe h ILE 31 Ca 0.18 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.18 2bwe h ILE 31 Cb 0.22 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.16 2bwe h ILE 31 CO -0.01 0.00 -0.34 -1.13 0.00 0.00 0.00 178.15 176.67 2bwe h ASN 32 N -1.05 -1.22 0.00 1.72 -0.73 -0.58 0.99 115.58 114.72 2bwe h ASN 32 Ca -0.08 0.27 0.00 0.00 1.87 0.00 0.00 56.30 58.36 2bwe h ASN 32 Cb 0.87 0.65 0.00 0.00 0.27 0.00 0.00 38.32 40.11 2bwe h ASN 32 CO 0.02 -0.29 0.39 0.50 -0.37 0.00 0.00 177.43 177.68 2bwe h LYS 33 N -0.06 0.00 0.00 6.67 3.64 -0.82 -1.98 116.57 124.02 2bwe h LYS 33 Ca 0.32 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 2bwe h LYS 33 Cb 0.59 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.18 2bwe h LYS 33 CO -0.86 0.00 -0.80 0.00 -2.27 0.00 0.00 179.45 175.52 2bwe n ALA 34 N -1.76 2.79 -1.21 5.00 0.00 0.34 -4.88 120.51 120.79 2bwe n ALA 34 Ca -0.01 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.80 2bwe n ALA 34 Cb 0.42 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2bwe n ALA 34 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2bwe n ASN 35 N -0.13 0.00 0.00 0.00 6.94 -0.75 -4.97 115.26 116.35 2bwe n ASN 35 Ca 0.10 -0.41 0.00 0.00 -0.02 0.00 0.00 54.58 54.25 2bwe n ASN 35 Cb 0.96 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.38 2bwe n ASN 35 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bwe n GLY 36 N 0.00 1.93 1.47 4.83 0.00 -0.92 -5.02 105.19 107.48 2bwe n GLY 36 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 2bwe n GLY 36 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bwe n ILE 37 N 0.00 0.00 -1.93 -0.61 5.41 -1.26 -4.81 119.36 116.17 2bwe n ILE 37 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 2bwe n ILE 37 Cb 0.00 -0.22 0.02 0.00 -0.71 0.00 0.00 39.64 38.73 2bwe n ILE 37 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2bwe s PRO 38 N 2.83 3.42 0.13 0.38 0.04 -1.26 -4.46 135.00 136.08 2bwe s PRO 38 Ca 0.55 2.13 -0.25 0.00 0.04 0.00 0.00 61.00 63.47 2bwe s PRO 38 Cb -0.66 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 2bwe s PRO 38 CO 0.29 -0.93 1.30 0.28 0.04 0.00 0.00 177.00 177.98 2bwe n VAL 39 N -0.71 -0.55 0.34 -0.36 0.31 -1.26 -1.25 118.33 114.86 2bwe n VAL 39 Ca 0.08 2.04 0.02 0.00 -0.01 0.00 0.00 64.34 66.48 2bwe n VAL 39 Cb 0.45 -2.54 0.11 0.00 -0.91 0.00 0.00 33.84 30.96 2bwe n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bwe n ALA 40 N -3.31 1.69 -0.01 3.52 0.00 -1.26 -1.57 120.51 119.57 2bwe n ALA 40 Ca 0.02 -0.02 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2bwe n ALA 40 Cb 0.21 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 2bwe n ALA 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bwe n ASN 41 N -0.85 3.78 -4.58 0.00 5.03 -0.38 -4.93 115.26 113.33 2bwe n ASN 41 Ca 0.03 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.06 2bwe n ASN 41 Cb 0.01 1.10 -0.03 0.00 -1.02 0.00 0.00 39.78 39.85 2bwe n ASN 41 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2bwe s GLN 42 N -2.31 3.32 -0.35 3.52 -0.21 -0.61 0.04 119.66 123.07 2bwe s GLN 42 Ca -0.02 0.73 -0.11 0.00 0.02 0.00 0.00 55.36 55.99 2bwe s GLN 42 Cb 0.03 -4.13 0.01 0.00 1.00 0.00 0.00 33.01 29.92 2bwe s GLN 42 CO 0.22 -1.89 0.19 0.50 -2.12 0.00 0.00 175.29 172.19 2bwe s ARG 43 N 5.50 3.09 -0.26 2.91 3.52 -0.38 -4.98 118.95 128.34 2bwe s ARG 43 Ca 0.60 -0.90 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 2bwe s ARG 43 Cb -0.13 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 2bwe s ARG 43 CO 0.28 -0.57 0.34 -0.51 -0.81 0.00 0.00 175.30 174.03 2bwe s LEU 44 N 1.59 4.05 -0.21 -0.88 1.43 -1.26 -0.66 118.68 122.74 2bwe s LEU 44 Ca 0.03 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.37 2bwe s LEU 44 Cb -0.18 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2bwe s LEU 44 CO 0.07 -0.14 -0.09 -0.63 0.23 0.00 0.00 176.35 175.79 2bwe s ILE 45 N 1.89 2.86 -0.01 -0.59 1.01 0.50 -0.28 121.20 126.57 2bwe s ILE 45 Ca 0.14 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.10 2bwe s ILE 45 Cb -0.16 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2bwe s ILE 45 CO 0.10 0.41 -0.22 -0.47 0.00 0.00 0.00 174.94 174.75 2bwe s TYR 46 N 1.39 1.93 -1.39 3.97 5.04 -1.01 -0.78 117.35 126.50 2bwe s TYR 46 Ca 0.04 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 2bwe s TYR 46 Cb -0.14 -1.23 -0.00 0.00 0.35 0.00 0.00 41.96 40.93 2bwe s TYR 46 CO -0.07 -0.02 0.45 0.43 -1.34 0.00 0.00 175.55 175.00 2bwe n SER 47 N 2.48 -0.56 0.00 4.32 7.64 -1.26 -1.25 113.62 124.99 2bwe n SER 47 Ca -0.15 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.72 2bwe n SER 47 Cb 0.53 -3.11 0.00 0.00 -1.01 0.00 0.00 64.21 60.62 2bwe n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bwe n GLY 48 N -1.95 0.38 3.36 0.23 0.00 -1.26 -4.99 105.19 100.95 2bwe n GLY 48 Ca -0.30 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 2bwe n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bwe s LYS 49 N -0.71 1.33 -0.17 1.61 1.02 -0.38 -5.11 119.74 117.33 2bwe s LYS 49 Ca 0.00 -1.37 -0.20 0.00 0.02 0.00 0.00 55.97 54.42 2bwe s LYS 49 Cb 0.00 -1.61 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 2bwe s LYS 49 CO 0.00 0.36 0.59 -1.50 -0.92 0.00 0.00 175.35 173.87 2bwe s ILE 50 N -1.50 5.07 -0.09 2.17 2.07 -1.26 -2.39 121.20 125.26 2bwe s ILE 50 Ca 0.14 1.12 -0.30 0.00 -1.41 0.00 0.00 60.65 60.21 2bwe s ILE 50 Cb -0.08 -3.91 -0.03 0.00 0.13 0.00 0.00 42.46 38.57 2bwe s ILE 50 CO 0.07 0.17 1.30 -0.76 -1.91 0.00 0.00 174.94 173.82 2bwe s LEU 51 N 1.53 4.25 0.27 8.50 1.43 0.61 -4.99 118.68 130.28 2bwe s LEU 51 Ca 0.28 1.85 -0.07 0.00 -1.03 0.00 0.00 54.13 55.16 2bwe s LEU 51 Cb -0.16 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 2bwe s LEU 51 CO 0.11 -0.71 0.57 -0.54 0.23 0.00 0.00 176.35 176.00 2bwe s LYS 52 N 2.95 3.71 0.20 1.70 1.02 -1.26 -4.66 119.74 123.40 2bwe s LYS 52 Ca 0.58 0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.63 2bwe s LYS 52 Cb -0.25 -2.63 0.11 0.00 -0.52 0.00 0.00 37.83 34.54 2bwe s LYS 52 CO 0.20 0.23 1.71 -0.44 -0.92 0.00 0.00 175.35 176.14 2bwe h ASP 53 N 1.99 1.07 -0.88 2.83 5.19 -1.94 -3.14 116.42 121.53 2bwe h ASP 53 Ca -0.47 -0.24 -0.49 0.00 -0.62 0.00 0.00 57.03 55.21 2bwe h ASP 53 Cb 1.18 -0.28 -0.27 0.00 0.18 0.00 0.00 39.33 40.14 2bwe h ASP 53 CO 0.67 1.03 0.62 -0.90 -3.12 0.00 0.00 179.24 177.54 2bwe n ASP 54 N -4.24 4.41 -4.47 6.45 5.75 -1.26 -1.73 116.55 121.46 2bwe n ASP 54 Ca 0.05 -3.46 -0.30 0.00 -0.01 0.00 0.00 54.79 51.07 2bwe n ASP 54 Cb 0.26 -0.84 -0.12 0.00 -1.03 0.00 0.00 41.12 39.39 2bwe n ASP 54 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2bwe s GLN 55 N -3.01 1.90 0.24 0.11 -1.52 -1.19 -4.94 119.66 111.26 2bwe s GLN 55 Ca 0.52 -1.09 -0.30 0.00 -1.95 0.00 0.00 55.36 52.54 2bwe s GLN 55 Cb 0.43 -2.14 -0.09 0.00 -0.22 0.00 0.00 33.01 30.99 2bwe s GLN 55 CO 0.08 0.51 1.22 0.95 -0.25 0.00 0.00 175.29 177.79 2bwe s THR 56 N -1.03 3.31 0.54 -0.19 -4.23 -1.26 -0.56 115.64 112.22 2bwe s THR 56 Ca 0.16 1.18 0.24 0.00 -1.18 0.00 0.00 61.69 62.09 2bwe s THR 56 Cb -0.10 -3.75 0.36 0.00 1.34 0.00 0.00 72.50 70.34 2bwe s THR 56 CO 0.07 0.23 2.04 0.58 -0.54 0.00 0.00 174.62 177.01 2bwe h VAL 57 N 3.46 0.75 0.00 2.29 2.07 -1.30 0.22 116.25 123.74 2bwe h VAL 57 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2bwe h VAL 57 Cb 1.22 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2bwe h VAL 57 CO 0.72 0.00 -0.34 -1.84 0.02 0.00 0.00 177.57 176.12 2bwe n GLU 58 N -4.31 0.23 0.28 1.57 0.28 -0.61 -3.10 120.64 114.97 2bwe n GLU 58 Ca 0.06 0.12 0.11 0.00 -0.16 0.00 0.00 57.16 57.29 2bwe n GLU 58 Cb 0.45 -1.70 0.77 0.00 1.43 0.00 0.00 31.44 32.39 2bwe n GLU 58 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2bwe h SER 59 N 0.00 0.00 0.25 -1.84 4.64 -0.84 -0.91 113.55 114.85 2bwe h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bwe h SER 59 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2bwe h SER 59 CO 0.00 0.01 -0.23 -1.22 -0.87 0.00 0.00 176.83 174.52 2bwe n TYR 60 N -4.17 0.00 -1.47 4.77 4.01 -1.18 -4.93 117.16 114.19 2bwe n TYR 60 Ca -0.03 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 2bwe n TYR 60 Cb 0.10 -0.13 -0.04 0.00 -0.31 0.00 0.00 39.34 38.96 2bwe n TYR 60 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2bwe n HIS 61 N -0.68 -0.09 -1.51 -0.72 8.25 -0.35 -4.92 115.22 115.20 2bwe n HIS 61 Ca 0.13 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.12 2bwe n HIS 61 Cb 0.34 -2.06 -0.05 0.00 1.12 0.00 0.00 29.99 29.33 2bwe n HIS 61 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2bwe n ILE 62 N -2.94 0.23 -1.87 1.59 5.41 -1.26 -4.93 119.36 115.59 2bwe n ILE 62 Ca -0.11 -0.36 -0.31 0.00 1.00 0.00 0.00 62.75 62.97 2bwe n ILE 62 Cb 0.39 -2.04 0.01 0.00 -0.71 0.00 0.00 39.64 37.29 2bwe n ILE 62 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2bwe s GLN 63 N 6.42 3.50 0.28 0.38 -1.52 -1.26 -4.91 119.66 122.55 2bwe s GLN 63 Ca 1.06 0.82 -0.30 0.00 -1.95 0.00 0.00 55.36 54.99 2bwe s GLN 63 Cb -0.63 -2.07 -0.13 0.00 -0.22 0.00 0.00 33.01 29.96 2bwe s GLN 63 CO 0.43 -0.65 1.39 -3.47 -0.25 0.00 0.00 175.29 172.74 2bwe n ASP 64 N -2.69 2.88 0.00 5.90 -0.08 -1.26 -3.06 116.55 118.24 2bwe n ASP 64 Ca 0.06 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.51 2bwe n ASP 64 Cb 0.54 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.53 2bwe n ASP 64 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2bwe n GLY 65 N 1.70 0.79 3.90 0.27 0.00 -0.72 -5.01 105.19 106.12 2bwe n GLY 65 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2bwe n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bwe s HIS 66 N -3.08 3.48 -0.12 1.61 3.76 -1.17 -4.75 115.29 115.02 2bwe s HIS 66 Ca 0.00 0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 55.49 2bwe s HIS 66 Cb 0.00 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 2bwe s HIS 66 CO 0.00 0.06 0.40 -1.12 -0.85 0.00 0.00 174.74 173.22 2bwe s SER 67 N -3.31 6.61 -0.18 1.40 0.01 -1.26 -1.29 113.70 115.67 2bwe s SER 67 Ca 0.46 0.72 -0.05 0.00 1.31 0.00 0.00 55.95 58.39 2bwe s SER 67 Cb -0.10 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 2bwe s SER 67 CO 0.32 0.09 -0.00 -0.69 0.41 0.00 0.00 173.24 173.36 2bwe s VAL 68 N 0.31 4.08 0.32 3.43 1.01 -0.04 -4.91 120.40 124.60 2bwe s VAL 68 Ca 0.22 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 2bwe s VAL 68 Cb -0.14 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 2bwe s VAL 68 CO 0.08 0.46 0.73 -1.00 0.00 0.00 0.00 175.10 175.37 2bwe s HIS 69 N 0.65 3.37 -0.23 5.22 3.76 0.04 -2.43 115.29 125.67 2bwe s HIS 69 Ca -0.00 1.20 0.02 0.00 -0.15 0.00 0.00 55.06 56.13 2bwe s HIS 69 Cb -0.14 -2.53 0.04 0.00 1.11 0.00 0.00 32.58 31.07 2bwe s HIS 69 CO 0.02 0.09 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.69 2bwe s LEU 70 N -3.00 2.98 -0.31 0.89 2.96 0.21 -0.37 118.68 122.03 2bwe s LEU 70 Ca 0.54 -1.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 2bwe s LEU 70 Cb -0.10 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.06 2bwe s LEU 70 CO 0.18 -0.12 0.13 -0.69 -1.32 0.00 0.00 176.35 174.53 2bwe s VAL 71 N 1.18 4.38 0.20 1.68 1.01 0.17 -4.33 120.40 124.69 2bwe s VAL 71 Ca -0.04 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 2bwe s VAL 71 Cb -0.17 -3.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 2bwe s VAL 71 CO -0.08 0.05 1.07 -0.54 0.00 0.00 0.00 175.10 175.60 2bwe s LYS 72 N 1.57 4.65 0.13 2.72 1.02 -1.26 -1.25 119.74 127.32 2bwe s LYS 72 Ca 0.04 1.68 -0.04 0.00 0.02 0.00 0.00 55.97 57.67 2bwe s LYS 72 Cb -0.17 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2bwe s LYS 72 CO 0.05 0.18 0.13 -1.12 -0.92 0.00 0.00 175.35 173.67 2bwe s SER 73 N -0.43 0.23 0.00 2.83 0.01 0.11 -4.94 113.70 111.50 2bwe s SER 73 Ca 0.47 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2bwe s SER 73 Cb -0.29 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2bwe s SER 73 CO 0.36 -0.77 0.00 0.00 0.41 0.00 0.00 173.24 173.24