#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bps n GLY 0 N 0.00 0.05 3.54 1.57 0.00 -1.26 -4.72 105.19 104.37 2bps n GLY 0 Ca 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.28 2bps n GLY 0 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bps s SER 1 N -4.00 -0.58 0.16 1.61 0.15 -1.26 -4.95 113.70 104.83 2bps s SER 1 Ca 0.00 0.85 -0.30 0.00 0.70 0.00 0.00 55.95 57.20 2bps s SER 1 Cb 0.00 1.46 -0.08 0.00 -1.71 0.00 0.00 66.02 65.69 2bps s SER 1 CO 0.00 -0.13 1.27 -0.31 1.20 0.00 0.00 173.24 175.27 2bps s TYR 2 N 1.90 3.34 0.02 3.44 4.12 -1.26 -0.50 117.35 128.42 2bps s TYR 2 Ca -0.06 1.26 0.04 0.00 0.02 0.00 0.00 57.07 58.33 2bps s TYR 2 Cb -0.05 -3.53 -0.02 0.00 -1.52 0.00 0.00 41.96 36.84 2bps s TYR 2 CO -0.16 -1.64 -0.13 0.96 0.02 0.00 0.00 175.55 174.60 2bps s ILE 3 N 0.38 1.02 -0.30 2.71 -4.36 -0.52 -4.92 121.20 115.21 2bps s ILE 3 Ca 0.57 -0.85 -0.10 0.00 -0.26 0.00 0.00 60.65 60.01 2bps s ILE 3 Cb -0.34 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 2bps s ILE 3 CO 0.35 0.06 0.17 -1.81 0.24 0.00 0.00 174.94 173.95 2bps s ASP 4 N -0.90 5.76 0.43 4.36 -0.00 -1.26 -2.57 116.67 122.49 2bps s ASP 4 Ca 0.02 -0.28 0.04 0.00 -0.00 0.00 0.00 52.55 52.33 2bps s ASP 4 Cb -0.07 -2.06 -0.02 0.00 -0.00 0.00 0.00 42.92 40.77 2bps s ASP 4 CO 0.01 -0.13 0.15 2.30 -0.00 0.00 0.00 175.17 177.49 2bps n ILE 5 N 5.03 0.00 -4.80 0.77 -5.35 -0.03 -1.48 119.36 113.50 2bps n ILE 5 Ca -0.14 -2.47 -0.26 0.00 -0.27 0.00 0.00 62.75 59.61 2bps n ILE 5 Cb 0.51 0.87 -0.16 0.00 -1.74 0.00 0.00 39.64 39.12 2bps n ILE 5 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2bps s THR 6 N -3.14 1.41 -0.17 7.28 2.01 -0.53 -1.23 115.64 121.26 2bps s THR 6 Ca 0.21 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 2bps s THR 6 Cb 0.01 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2bps s THR 6 CO 0.15 0.41 0.01 -0.63 -0.69 0.00 0.00 174.62 173.87 2bps s ILE 7 N 0.26 4.25 -0.27 1.82 -1.09 0.41 0.08 121.20 126.67 2bps s ILE 7 Ca -0.09 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.10 2bps s ILE 7 Cb -0.14 -2.90 0.04 0.00 -1.58 0.00 0.00 42.46 37.89 2bps s ILE 7 CO 0.03 0.47 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.55 2bps s ASP 8 N 0.48 4.58 -0.47 3.58 3.68 0.01 -1.84 116.67 126.69 2bps s ASP 8 Ca -0.00 -1.09 -0.02 0.00 2.13 0.00 0.00 52.55 53.56 2bps s ASP 8 Cb -0.14 -1.67 0.26 0.00 -1.45 0.00 0.00 42.92 39.92 2bps s ASP 8 CO 0.02 -0.19 2.14 0.18 0.13 0.00 0.00 175.17 177.45 2bps n LEU 9 N 4.63 6.89 -0.20 -1.34 4.77 -0.29 -2.66 117.00 128.80 2bps n LEU 9 Ca -0.15 -3.79 0.01 0.00 -0.03 0.00 0.00 56.01 52.05 2bps n LEU 9 Cb 0.45 -1.06 0.10 0.00 -2.33 0.00 0.00 43.42 40.58 2bps n LEU 9 CO 0.26 1.41 0.84 0.50 -1.33 0.00 0.00 177.39 179.07 2bps h LYS 10 N 1.95 0.12 -0.70 3.23 3.64 -1.82 0.14 116.57 123.14 2bps h LYS 10 Ca 0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2bps h LYS 10 Cb 0.80 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2bps h LYS 10 CO 1.06 0.08 0.00 0.72 -2.27 0.00 0.00 179.45 179.03 2bps n HIS 11 N -5.28 0.00 0.00 1.91 8.25 -1.26 -4.18 115.22 114.67 2bps n HIS 11 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2bps n HIS 11 Cb 0.35 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2bps n HIS 11 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bps n TYR 12 N -0.05 0.00 0.97 4.41 4.02 -0.21 -4.95 117.16 121.36 2bps n TYR 12 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 2bps n TYR 12 Cb 0.17 0.00 0.51 0.00 -0.02 0.00 0.00 39.34 40.01 2bps n TYR 12 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2bps n ASN 13 N 0.00 0.00 0.00 7.72 0.23 -1.24 -4.89 115.26 117.09 2bps n ASN 13 Ca 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 2bps n ASN 13 Cb 0.00 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 2bps n ASN 13 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bps n GLY 14 N 0.41 0.49 3.91 4.83 0.00 0.33 -5.02 105.19 110.15 2bps n GLY 14 Ca 0.10 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2bps n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bps s SER 15 N -2.11 3.70 -0.15 1.61 1.04 -1.25 -4.63 113.70 111.90 2bps s SER 15 Ca 0.00 0.52 -0.06 0.00 0.48 0.00 0.00 55.95 56.89 2bps s SER 15 Cb 0.00 -0.77 0.07 0.00 0.10 0.00 0.00 66.02 65.42 2bps s SER 15 CO 0.00 -2.39 0.33 -0.69 0.98 0.00 0.00 173.24 171.47 2bps s VAL 16 N -3.73 -0.41 0.17 5.02 1.01 -1.26 -1.14 120.40 120.06 2bps s VAL 16 Ca 0.68 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2bps s VAL 16 Cb -0.07 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 2bps s VAL 16 CO 0.51 0.09 -0.05 0.72 0.00 0.00 0.00 175.10 176.37 2bps s PHE 17 N 2.26 1.29 0.02 5.22 -0.71 -0.77 -4.98 117.98 120.31 2bps s PHE 17 Ca -0.02 -0.88 -0.01 0.00 -1.04 0.00 0.00 56.93 54.98 2bps s PHE 17 Cb -0.11 -0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 2bps s PHE 17 CO -0.10 -0.04 0.20 -0.51 -1.34 0.00 0.00 175.22 173.42 2bps s ASP 18 N -3.19 6.36 -0.01 1.98 1.01 -1.26 -0.44 116.67 121.12 2bps s ASP 18 Ca 0.21 0.31 -0.01 0.00 0.71 0.00 0.00 52.55 53.77 2bps s ASP 18 Cb 0.04 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.99 2bps s ASP 18 CO 0.03 0.22 0.03 -0.22 0.21 0.00 0.00 175.17 175.44 2bps s LEU 19 N -2.21 1.90 -0.18 1.23 1.98 -0.37 -4.94 118.68 116.10 2bps s LEU 19 Ca 0.31 -0.00 0.01 0.00 -2.89 0.00 0.00 54.13 51.56 2bps s LEU 19 Cb -0.13 0.14 0.03 0.00 0.66 0.00 0.00 46.19 46.89 2bps s LEU 19 CO 0.23 -0.06 -0.15 -0.60 -1.89 0.00 0.00 176.35 173.88 2bps s ARG 20 N -0.19 2.48 0.22 1.98 3.52 -1.26 -0.85 118.95 124.85 2bps s ARG 20 Ca -0.02 -0.80 -0.10 0.00 -0.13 0.00 0.00 55.73 54.68 2bps s ARG 20 Cb -0.02 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.94 2bps s ARG 20 CO -0.00 -0.30 0.37 -0.48 -0.81 0.00 0.00 175.30 174.07 2bps s LEU 21 N 1.36 0.62 0.11 -0.88 2.34 -1.06 -4.95 118.68 116.22 2bps s LEU 21 Ca 0.02 -0.98 -0.30 0.00 0.06 0.00 0.00 54.13 52.93 2bps s LEU 21 Cb -0.14 1.39 -0.06 0.00 -0.56 0.00 0.00 46.19 46.81 2bps s LEU 21 CO -0.10 -1.02 1.14 -0.55 -1.06 0.00 0.00 176.35 174.76 2bps s SER 22 N -3.02 7.17 0.00 1.48 0.15 -1.26 -1.43 113.70 116.78 2bps s SER 22 Ca 0.24 2.04 0.15 0.00 0.70 0.00 0.00 55.95 59.07 2bps s SER 22 Cb 0.02 -2.59 0.90 0.00 -1.71 0.00 0.00 66.02 62.64 2bps s SER 22 CO 0.07 -0.35 1.33 -0.90 1.20 0.00 0.00 173.24 174.58 2bps n ASP 23 N 3.21 0.00 -0.26 5.45 5.68 0.34 -2.20 116.55 128.77 2bps n ASP 23 Ca 0.06 -0.63 0.12 0.00 -0.50 0.00 0.00 54.79 53.83 2bps n ASP 23 Cb 0.46 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.00 2bps n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bps n TYR 24 N -0.93 0.07 -2.79 2.11 4.11 -1.26 -1.09 117.16 117.38 2bps n TYR 24 Ca 0.11 -0.03 -0.32 0.00 -0.00 0.00 0.00 57.90 57.66 2bps n TYR 24 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.35 2bps n TYR 24 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2bps s HIS 25 N -1.93 3.42 0.24 -3.48 3.76 -0.94 -4.80 115.29 111.57 2bps s HIS 25 Ca 0.34 1.28 -0.30 0.00 -0.15 0.00 0.00 55.06 56.23 2bps s HIS 25 Cb 0.17 -2.62 -0.09 0.00 1.11 0.00 0.00 32.58 31.16 2bps s HIS 25 CO 0.27 -0.13 1.13 -2.14 -0.85 0.00 0.00 174.74 173.02 2bps s PRO 26 N -3.62 4.58 0.54 8.40 0.02 -1.26 -1.05 135.00 142.61 2bps s PRO 26 Ca 0.55 1.83 0.47 0.00 0.02 0.00 0.00 61.00 63.87 2bps s PRO 26 Cb -0.10 -3.21 1.69 0.00 0.02 0.00 0.00 34.50 32.90 2bps s PRO 26 CO 0.26 0.09 1.60 0.28 -0.33 0.00 0.00 177.00 178.90 2bps h VAL 27 N 3.38 0.05 -0.79 3.83 2.07 -0.63 0.90 116.25 125.07 2bps h VAL 27 Ca -0.46 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2bps h VAL 27 Cb 1.21 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2bps h VAL 27 CO 0.70 0.00 0.52 0.50 0.02 0.00 0.00 177.57 179.31 2bps h LYS 28 N 0.00 0.91 -1.00 1.57 3.64 -1.17 -2.80 116.57 117.72 2bps h LYS 28 Ca 0.90 -0.05 0.20 0.00 -1.27 0.00 0.00 60.65 60.43 2bps h LYS 28 Cb 3.52 -0.20 -0.10 0.00 -0.41 0.00 0.00 32.23 35.04 2bps h LYS 28 CO -0.06 0.60 0.61 0.87 -2.27 0.00 0.00 179.45 179.20 2bps h LYS 29 N 0.93 0.68 -0.73 1.90 1.79 0.57 0.50 116.57 122.20 2bps h LYS 29 Ca 0.32 -0.04 0.16 0.00 -2.18 0.00 0.00 60.65 58.91 2bps h LYS 29 Cb 0.10 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.55 2bps h LYS 29 CO -0.10 0.45 0.50 0.28 -1.08 0.00 0.00 179.45 179.49 2bps h VAL 30 N 0.70 0.76 -0.08 0.50 2.07 -1.65 -1.78 116.25 116.77 2bps h VAL 30 Ca 0.58 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 67.78 2bps h VAL 30 Cb 0.99 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2bps h VAL 30 CO -0.37 0.06 -0.74 0.40 0.02 0.00 0.00 177.57 176.94 2bps h ILE 31 N 0.33 1.32 0.12 4.57 2.04 -0.15 -0.86 117.51 124.88 2bps h ILE 31 Ca 0.36 -2.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 2bps h ILE 31 Cb 0.94 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 2bps h ILE 31 CO -0.10 0.62 -0.09 0.44 0.00 0.00 0.00 178.15 179.02 2bps h ASP 32 N 0.29 -0.23 -0.51 1.72 3.45 -1.21 -1.80 116.42 118.14 2bps h ASP 32 Ca -0.07 0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.45 2bps h ASP 32 Cb 1.40 0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 40.20 2bps h ASP 32 CO 0.15 -0.14 0.26 0.40 -1.57 0.00 0.00 179.24 178.34 2bps h ILE 33 N -0.21 0.96 -0.40 0.35 2.04 -1.40 -1.93 117.51 116.91 2bps h ILE 33 Ca -0.00 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2bps h ILE 33 Cb 0.19 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 2bps h ILE 33 CO -0.00 0.09 -0.04 0.00 0.00 0.00 0.00 178.15 178.19 2bps h ALA 34 N 1.27 0.33 -0.32 1.87 0.00 -0.75 0.43 119.26 122.09 2bps h ALA 34 Ca 0.22 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2bps h ALA 34 Cb 0.13 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2bps h ALA 34 CO -0.15 -0.42 -0.16 -1.49 0.00 0.00 0.00 179.25 177.03 2bps h TRP 35 N 0.06 0.61 0.32 0.00 6.55 -0.93 -0.93 115.95 121.63 2bps h TRP 35 Ca 0.20 -0.11 -0.02 0.00 0.95 0.00 0.00 58.89 59.91 2bps h TRP 35 Cb 0.29 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 2bps h TRP 35 CO -0.31 0.69 -0.15 1.96 -1.05 0.00 0.00 178.44 179.58 2bps h GLN 36 N 0.51 -0.41 -0.61 0.49 4.20 -0.66 -3.33 115.11 115.29 2bps h GLN 36 Ca 0.09 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 2bps h GLN 36 Cb 0.56 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 2bps h GLN 36 CO 0.04 -0.10 0.26 0.00 -0.67 0.00 0.00 178.83 178.36 2bps h ALA 37 N -0.25 0.79 -1.72 3.87 0.00 -0.88 -3.46 119.26 117.61 2bps h ALA 37 Ca -0.04 -0.16 -0.44 0.00 0.00 0.00 0.00 54.91 54.26 2bps h ALA 37 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bps h ALA 37 CO 0.07 0.39 -0.34 -0.65 0.00 0.00 0.00 179.25 178.72 2bps s GLN 38 N -5.59 2.99 -1.35 0.00 1.11 -0.36 -5.01 119.66 111.45 2bps s GLN 38 Ca -0.13 -1.11 -0.06 0.00 0.01 0.00 0.00 55.36 54.07 2bps s GLN 38 Cb 0.13 -2.75 0.10 0.00 -1.01 0.00 0.00 33.01 29.48 2bps s GLN 38 CO 0.79 -0.01 2.40 0.43 0.01 0.00 0.00 175.29 178.92 2bps n SER 39 N -1.65 7.89 -4.45 5.90 7.64 -1.26 -4.78 113.62 122.91 2bps n SER 39 Ca 0.01 -3.09 -0.44 0.00 1.01 0.00 0.00 58.87 56.37 2bps n SER 39 Cb 0.59 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 2bps n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2bps s VAL 40 N -0.72 4.78 -1.35 0.44 0.11 -1.26 -4.92 120.40 117.48 2bps s VAL 40 Ca 0.54 -1.65 -0.15 0.00 -2.93 0.00 0.00 61.98 57.79 2bps s VAL 40 Cb 0.18 -4.77 0.08 0.00 -1.53 0.00 0.00 36.38 30.34 2bps s VAL 40 CO -0.08 -1.49 1.90 -0.24 -3.33 0.00 0.00 175.10 171.86 2bps n SER 41 N 6.40 4.59 0.00 3.54 2.88 -1.26 -4.69 113.62 125.08 2bps n SER 41 Ca 0.24 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 2bps n SER 41 Cb 0.49 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 2bps n SER 41 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2bps n MET 42 N 6.78 0.00 0.00 -1.46 2.81 -1.26 -5.04 117.12 118.94 2bps n MET 42 Ca 0.48 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.37 2bps n MET 42 Cb 0.42 -0.01 0.00 0.00 -0.71 0.00 0.00 33.22 32.92 2bps n MET 42 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2bps n PRO 43 N -1.20 2.70 -1.77 0.03 -0.04 -1.26 -5.13 135.00 128.33 2bps n PRO 43 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2bps n PRO 43 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 2bps n PRO 43 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2bps s PRO 44 N 1.75 3.31 0.12 0.54 0.04 -1.26 -5.03 135.00 134.48 2bps s PRO 44 Ca 0.00 0.80 -0.23 0.00 0.04 0.00 0.00 61.00 61.61 2bps s PRO 44 Cb 0.00 -2.04 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2bps s PRO 44 CO 0.00 -0.79 0.69 0.50 0.04 0.00 0.00 177.00 177.44 2bps s ARG 45 N -5.14 4.41 0.96 4.56 3.52 -1.26 -5.04 118.95 120.95 2bps s ARG 45 Ca 0.56 0.98 -0.12 0.00 -0.13 0.00 0.00 55.73 57.02 2bps s ARG 45 Cb -0.12 -3.26 0.10 0.00 -1.56 0.00 0.00 34.95 30.11 2bps s ARG 45 CO 0.54 0.59 0.73 -1.91 -0.81 0.00 0.00 175.30 174.44 2bps n GLU 46 N 1.69 -0.54 0.00 5.12 0.00 -1.26 -3.02 120.64 122.64 2bps n GLU 46 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 57.16 56.98 2bps n GLU 46 Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 31.44 29.85 2bps n GLU 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2bps n GLY 47 N 0.98 2.68 3.57 8.31 0.00 -1.26 -4.62 105.19 114.85 2bps n GLY 47 Ca 0.08 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 2bps n GLY 47 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bps n HIS 48 N 0.00 -2.06 -3.72 1.61 8.25 -1.17 -3.98 115.22 114.16 2bps n HIS 48 Ca 0.00 0.55 -0.37 0.00 -0.26 0.00 0.00 57.72 57.65 2bps n HIS 48 Cb 0.00 -3.61 -0.07 0.00 1.12 0.00 0.00 29.99 27.43 2bps n HIS 48 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2bps s TRP 49 N -3.44 3.56 0.06 4.41 0.52 -1.26 -0.29 118.94 122.51 2bps s TRP 49 Ca 0.47 0.59 0.09 0.00 0.02 0.00 0.00 56.10 57.28 2bps s TRP 49 Cb -0.14 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 2bps s TRP 49 CO 0.83 0.55 -0.26 0.42 0.02 0.00 0.00 176.95 178.51 2bps s ILE 50 N -0.52 2.10 -0.16 2.03 1.09 -0.98 -0.87 121.20 123.90 2bps s ILE 50 Ca 0.16 -1.45 0.02 0.00 -1.10 0.00 0.00 60.65 58.27 2bps s ILE 50 Cb -0.13 -1.81 0.02 0.00 -1.06 0.00 0.00 42.46 39.47 2bps s ILE 50 CO 0.05 0.28 -0.20 -0.60 -0.10 0.00 0.00 174.94 174.37 2bps s ARG 51 N -1.41 2.88 -0.77 2.79 3.52 -0.22 -0.14 118.95 125.60 2bps s ARG 51 Ca 0.12 -0.80 -0.23 0.00 -0.13 0.00 0.00 55.73 54.69 2bps s ARG 51 Cb -0.10 -2.42 0.07 0.00 -1.56 0.00 0.00 34.95 30.94 2bps s ARG 51 CO 0.03 -0.12 1.11 0.08 -0.81 0.00 0.00 175.30 175.58 2bps s VAL 52 N 1.09 4.25 0.18 7.11 1.01 0.69 -0.77 120.40 133.96 2bps s VAL 52 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 2bps s VAL 52 Cb -0.14 -4.79 0.08 0.00 0.00 0.00 0.00 36.38 31.53 2bps s VAL 52 CO -0.08 -1.59 1.57 0.58 0.00 0.00 0.00 175.10 175.58 2bps h VAL 53 N 6.05 0.08 0.00 2.92 2.07 -1.63 0.50 116.25 126.23 2bps h VAL 53 Ca -0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2bps h VAL 53 Cb 1.05 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2bps h VAL 53 CO 1.21 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 178.34 2bps n ASN 54 N -5.41 0.42 0.00 0.57 0.23 -1.26 -1.95 115.26 107.86 2bps n ASN 54 Ca 0.04 0.66 0.00 0.00 -0.53 0.00 0.00 54.58 54.74 2bps n ASN 54 Cb 0.35 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 2bps n ASN 54 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2bps n LYS 55 N -2.02 -0.05 -4.13 -3.83 5.02 0.08 -5.03 118.16 108.20 2bps n LYS 55 Ca 0.00 -0.71 -0.31 0.00 -2.02 0.00 0.00 58.31 55.27 2bps n LYS 55 Cb 0.09 -0.98 -0.05 0.00 -0.02 0.00 0.00 35.03 34.08 2bps n LYS 55 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bps n ASP 56 N -0.11 -0.49 -3.83 4.39 8.00 0.15 -4.96 116.55 119.70 2bps n ASP 56 Ca 0.00 -1.18 -0.13 0.00 0.71 0.00 0.00 54.79 54.19 2bps n ASP 56 Cb 0.07 -2.20 -0.14 0.00 -0.02 0.00 0.00 41.12 38.83 2bps n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2bps s LYS 57 N -7.03 0.01 -0.06 -1.24 2.20 -1.18 -4.97 119.74 107.46 2bps s LYS 57 Ca 0.09 0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.76 2bps s LYS 57 Cb -0.05 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 2bps s LYS 57 CO 0.95 -0.06 0.15 0.08 -0.36 0.00 0.00 175.35 176.11 2bps s VAL 58 N 0.41 5.37 0.06 4.02 1.01 -1.26 -0.22 120.40 129.79 2bps s VAL 58 Ca -0.03 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.00 2bps s VAL 58 Cb -0.05 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2bps s VAL 58 CO -0.01 0.47 -0.18 -0.36 0.00 0.00 0.00 175.10 175.02 2bps s PHE 59 N -1.16 1.54 0.31 5.22 0.40 0.80 -4.98 117.98 120.10 2bps s PHE 59 Ca 0.21 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.85 2bps s PHE 59 Cb -0.12 -0.89 -0.10 0.00 0.51 0.00 0.00 43.02 42.42 2bps s PHE 59 CO 0.11 0.10 1.23 0.45 0.70 0.00 0.00 175.22 177.81 2bps s SER 60 N -1.46 6.96 0.00 1.36 0.15 -1.26 -2.31 113.70 117.14 2bps s SER 60 Ca 0.04 2.52 0.03 0.00 0.70 0.00 0.00 55.95 59.24 2bps s SER 60 Cb -0.09 -2.64 0.15 0.00 -1.71 0.00 0.00 66.02 61.73 2bps s SER 60 CO 0.02 -0.39 0.89 0.61 1.20 0.00 0.00 173.24 175.58 2bps n GLY 61 N 1.00 -0.36 0.09 9.45 0.00 0.60 -1.54 105.19 114.43 2bps n GLY 61 Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2bps n GLY 61 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bps n GLU 62 N -1.26 0.62 -1.59 1.61 4.07 -1.26 -0.71 120.64 122.13 2bps n GLU 62 Ca 0.01 0.09 -0.36 0.00 -0.06 0.00 0.00 57.16 56.84 2bps n GLU 62 Cb 0.02 -1.76 0.08 0.00 -0.06 0.00 0.00 31.44 29.72 2bps n GLU 62 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bps s LYS 64 N -3.40 4.39 0.29 0.00 2.20 -1.26 -0.20 119.74 121.77 2bps s LYS 64 Ca 0.80 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 57.37 2bps s LYS 64 Cb -0.37 -3.49 0.70 0.00 -1.51 0.00 0.00 37.83 33.16 2bps s LYS 64 CO 0.43 -0.08 1.63 -0.07 -0.36 0.00 0.00 175.35 176.91 2bps h LEU 65 N 7.30 -0.10 -0.29 5.43 3.38 -1.06 0.16 115.31 130.13 2bps h LEU 65 Ca -0.37 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2bps h LEU 65 Cb 1.18 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2bps h LEU 65 CO 0.78 -0.19 0.19 0.77 0.09 0.00 0.00 178.44 180.07 2bps h SER 66 N 0.16 0.34 0.00 -0.43 4.64 -1.37 -1.26 113.55 115.62 2bps h SER 66 Ca 0.55 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 2bps h SER 66 Cb 1.11 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2bps h SER 66 CO -0.69 0.26 0.00 0.47 -0.87 0.00 0.00 176.83 175.99 2bps n ASP 67 N -4.88 0.09 -0.88 4.97 9.92 0.52 -0.42 116.55 125.88 2bps n ASP 67 Ca -0.02 0.54 0.08 0.00 -0.53 0.00 0.00 54.79 54.87 2bps n ASP 67 Cb 0.03 -0.55 0.19 0.00 -0.64 0.00 0.00 41.12 40.14 2bps n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bps n GLY 69 N 0.99 0.87 3.67 0.00 0.00 0.44 -4.92 105.19 106.25 2bps n GLY 69 Ca 0.15 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2bps n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bps s ILE 70 N -1.82 3.85 0.37 -0.61 1.01 -1.06 -4.99 121.20 117.95 2bps s ILE 70 Ca 0.00 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.79 2bps s ILE 70 Cb 0.00 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2bps s ILE 70 CO 0.00 -0.07 0.21 0.41 0.00 0.00 0.00 174.94 175.48 2bps n THR 71 N 5.25 0.00 -1.54 2.92 -1.04 -1.26 -4.67 114.28 113.93 2bps n THR 71 Ca 0.15 -2.37 -0.42 0.00 -2.04 0.00 0.00 64.05 59.37 2bps n THR 71 Cb 0.44 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.96 2bps n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bps n ASN 72 N -1.62 0.38 0.00 8.00 4.13 -1.25 -1.50 115.26 123.41 2bps n ASN 72 Ca 0.01 1.02 0.00 0.00 1.68 0.00 0.00 54.58 57.28 2bps n ASN 72 Cb 0.60 -1.24 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 2bps n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bps n GLY 73 N 1.44 2.87 3.77 7.41 0.00 -0.55 -4.95 105.19 115.19 2bps n GLY 73 Ca 0.11 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2bps n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bps s ASP 74 N 0.73 5.96 -0.23 1.61 1.01 -0.56 -4.81 116.67 120.39 2bps s ASP 74 Ca 0.00 2.98 -0.02 0.00 0.71 0.00 0.00 52.55 56.22 2bps s ASP 74 Cb 0.00 -2.66 0.01 0.00 1.01 0.00 0.00 42.92 41.28 2bps s ASP 74 CO 0.00 -1.12 -0.08 -0.60 0.21 0.00 0.00 175.17 173.58 2bps s ARG 75 N -2.37 3.05 -0.27 8.23 3.52 -1.26 -1.46 118.95 128.38 2bps s ARG 75 Ca 0.59 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 55.25 2bps s ARG 75 Cb -0.45 -2.92 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 2bps s ARG 75 CO 0.59 -0.30 0.21 -0.51 -0.81 0.00 0.00 175.30 174.48 2bps s LEU 76 N 1.37 4.04 -0.32 -0.88 1.43 0.11 -1.73 118.68 122.70 2bps s LEU 76 Ca 0.03 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 2bps s LEU 76 Cb -0.15 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.88 2bps s LEU 76 CO -0.06 -0.05 0.28 -0.70 0.23 0.00 0.00 176.35 176.05 2bps s GLU 77 N 1.70 3.69 -0.04 1.70 2.12 0.05 -0.81 118.70 127.12 2bps s GLU 77 Ca 0.08 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 2bps s GLU 77 Cb -0.16 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 2bps s GLU 77 CO 0.10 -0.38 1.07 0.42 -0.54 0.00 0.00 175.26 175.92 2bps s ILE 78 N 1.86 4.60 -2.46 -3.70 1.01 -1.09 -1.06 121.20 120.36 2bps s ILE 78 Ca 0.09 1.87 0.28 0.00 0.00 0.00 0.00 60.65 62.90 2bps s ILE 78 Cb -0.17 -4.20 0.58 0.00 0.01 0.00 0.00 42.46 38.68 2bps s ILE 78 CO 0.11 0.07 1.78 0.18 0.00 0.00 0.00 174.94 177.08