#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opk s LYS 4 N 0.00 4.20 0.19 -0.52 1.02 -1.26 -5.01 119.74 118.36 2opk s LYS 4 Ca 0.00 2.43 -0.10 0.00 0.02 0.00 0.00 55.97 58.33 2opk s LYS 4 Cb 0.00 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2opk s LYS 4 CO 0.00 -0.47 0.33 -3.38 -0.92 0.00 0.00 175.35 170.92 2opk s HIS 5 N -0.49 0.44 0.00 3.18 -3.43 -1.26 -5.18 115.29 108.55 2opk s HIS 5 Ca 0.57 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2opk s HIS 5 Cb -0.44 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 30.69 2opk s HIS 5 CO 0.51 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 172.87 2opk n GLY 6 N -0.27 0.61 2.86 -1.38 0.00 -1.26 -5.14 105.19 100.61 2opk n GLY 6 Ca -0.05 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 2opk n GLY 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2opk s ASN 7 N -0.93 1.38 0.64 1.61 3.84 -1.26 -5.04 114.94 115.18 2opk s ASN 7 Ca 0.00 -0.15 0.38 0.00 0.21 0.00 0.00 52.86 53.31 2opk s ASN 7 Cb 0.00 -0.52 2.15 0.00 -0.55 0.00 0.00 41.25 42.33 2opk s ASN 7 CO 0.00 -0.10 2.29 -0.07 -2.79 0.00 0.00 177.10 176.42 2opk h LEU 8 N 7.69 0.00 -1.74 3.21 3.38 -2.02 -2.29 115.31 123.54 2opk h LEU 8 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2opk h LEU 8 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2opk h LEU 8 CO 0.39 0.00 -0.01 0.49 0.09 0.00 0.00 178.44 179.40 2opk n PHE 9 N -3.32 0.00 -3.00 1.13 3.72 -1.26 -4.94 117.46 109.79 2opk n PHE 9 Ca -0.03 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.98 2opk n PHE 9 Cb 0.12 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 2opk n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2opk s ALA 10 N -2.02 3.46 -1.21 4.37 0.00 -0.86 -4.35 121.76 121.15 2opk s ALA 10 Ca 0.29 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.57 2opk s ALA 10 Cb 0.20 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 2opk s ALA 10 CO 0.31 0.30 0.88 -0.25 0.00 0.00 0.00 175.76 177.01 2opk n ASP 11 N 1.61 -2.63 -4.36 0.00 8.00 -1.26 -4.95 116.55 112.96 2opk n ASP 11 Ca -0.06 -0.71 -0.41 0.00 0.71 0.00 0.00 54.79 54.31 2opk n ASP 11 Cb 0.49 -4.73 -0.10 0.00 -0.02 0.00 0.00 41.12 36.76 2opk n ASP 11 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2opk s VAL 12 N -3.47 4.62 0.17 2.53 1.01 -1.26 -5.06 120.40 118.94 2opk s VAL 12 Ca 0.09 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 2opk s VAL 12 Cb -0.02 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 2opk s VAL 12 CO 0.76 -0.35 1.56 -2.84 0.00 0.00 0.00 175.10 174.23 2opk s PRO 13 N 1.54 4.22 -0.05 2.72 0.02 -1.26 -4.98 135.00 137.21 2opk s PRO 13 Ca 0.03 2.35 -0.20 0.00 0.02 0.00 0.00 61.00 63.20 2opk s PRO 13 Cb -0.21 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.11 2opk s PRO 13 CO 0.06 -0.59 0.57 0.08 -0.33 0.00 0.00 177.00 176.78 2opk s VAL 14 N 1.07 5.03 -0.98 3.83 1.01 -1.26 -4.20 120.40 124.89 2opk s VAL 14 Ca 0.69 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.84 2opk s VAL 14 Cb -0.44 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2opk s VAL 14 CO 0.32 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.40 2opk n GLY 15 N 2.78 1.07 3.76 4.51 0.00 -1.26 -5.01 105.19 111.05 2opk n GLY 15 Ca -0.06 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 2opk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opk s ALA 16 N -2.35 3.12 0.24 4.61 0.00 -1.26 -4.93 121.76 121.19 2opk s ALA 16 Ca 0.00 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 2opk s ALA 16 Cb 0.00 -3.53 0.26 0.00 0.00 0.00 0.00 23.12 19.85 2opk s ALA 16 CO 0.00 -1.07 1.64 -1.00 0.00 0.00 0.00 175.76 175.33 2opk h PRO 17 N 2.20 0.60 -6.16 0.00 0.13 -1.95 -3.43 132.00 123.39 2opk h PRO 17 Ca -0.50 -0.26 -0.57 0.00 -0.87 0.00 0.00 66.00 63.80 2opk h PRO 17 Cb 1.27 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 2opk h PRO 17 CO 0.60 0.83 -0.64 -0.51 -0.23 0.00 0.00 178.00 178.06 2opk s ASP 18 N -6.81 4.37 0.46 1.44 1.01 -1.26 -4.96 116.67 110.91 2opk s ASP 18 Ca -0.08 -0.77 -0.24 0.00 0.71 0.00 0.00 52.55 52.17 2opk s ASP 18 Cb 0.13 -0.70 -0.07 0.00 1.01 0.00 0.00 42.92 43.28 2opk s ASP 18 CO 0.82 -0.07 1.26 -1.61 0.21 0.00 0.00 175.17 175.78 2opk s GLU 19 N -3.68 3.70 -0.17 8.23 2.02 -1.26 -4.82 118.70 122.71 2opk s GLU 19 Ca 0.32 2.03 -0.03 0.00 0.02 0.00 0.00 54.97 57.32 2opk s GLU 19 Cb -0.05 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.65 2opk s GLU 19 CO 0.19 -0.68 -0.06 0.42 0.02 0.00 0.00 175.26 175.15 2opk s ILE 20 N -1.38 3.48 -0.20 -1.63 1.01 -0.09 -4.95 121.20 117.45 2opk s ILE 20 Ca 0.63 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 2opk s ILE 20 Cb -0.35 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 2opk s ILE 20 CO 0.43 0.48 -0.08 -0.36 0.00 0.00 0.00 174.94 175.41 2opk s PHE 21 N 0.75 2.91 -0.26 3.97 0.40 -1.26 -0.15 117.98 124.34 2opk s PHE 21 Ca -0.03 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.34 2opk s PHE 21 Cb -0.15 -2.03 0.07 0.00 0.51 0.00 0.00 43.02 41.43 2opk s PHE 21 CO 0.02 -0.51 0.01 -0.65 0.70 0.00 0.00 175.22 174.78 2opk s GLN 22 N 1.23 1.24 0.30 0.44 -0.21 0.60 -5.01 119.66 118.25 2opk s GLN 22 Ca 0.03 -1.02 -0.30 0.00 0.02 0.00 0.00 55.36 54.08 2opk s GLN 22 Cb -0.14 -2.45 -0.11 0.00 1.00 0.00 0.00 33.01 31.31 2opk s GLN 22 CO -0.03 -0.74 1.58 -2.14 -2.12 0.00 0.00 175.29 171.85 2opk s PRO 23 N 1.46 4.12 -0.24 2.91 0.02 -1.26 -0.79 135.00 141.22 2opk s PRO 23 Ca 0.01 2.58 0.03 0.00 0.02 0.00 0.00 61.00 63.64 2opk s PRO 23 Cb -0.18 -3.01 -0.16 0.00 0.02 0.00 0.00 34.50 31.16 2opk s PRO 23 CO -0.11 -0.62 -0.19 1.28 -0.33 0.00 0.00 177.00 177.03 2opk n LEU 24 N 1.94 2.72 -3.76 -5.54 4.77 0.91 -4.87 117.00 113.17 2opk n LEU 24 Ca 0.07 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 2opk n LEU 24 Cb 0.38 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 2opk n LEU 24 CO 0.64 0.87 0.01 -0.22 -1.33 0.00 0.00 177.39 177.35 2opk s LEU 25 N -6.32 0.72 -0.02 2.23 2.96 -0.96 -5.00 118.68 112.29 2opk s LEU 25 Ca -0.30 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2opk s LEU 25 Cb 0.08 1.17 0.02 0.00 0.50 0.00 0.00 46.19 47.96 2opk s LEU 25 CO 0.58 -0.14 0.05 -1.61 -1.32 0.00 0.00 176.35 173.90 2opk s GLU 26 N 0.06 0.01 0.23 1.98 2.02 -1.26 -0.39 118.70 121.36 2opk s GLU 26 Ca -0.01 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.13 2opk s GLU 26 Cb -0.03 -0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.03 2opk s GLU 26 CO 0.01 -0.10 0.11 1.03 0.02 0.00 0.00 175.26 176.33 2opk s ARG 27 N 0.64 1.32 0.09 1.61 1.81 -0.26 -5.02 118.95 119.14 2opk s ARG 27 Ca -0.05 -1.71 -0.31 0.00 -1.72 0.00 0.00 55.73 51.94 2opk s ARG 27 Cb -0.07 -0.04 -0.10 0.00 -0.45 0.00 0.00 34.95 34.29 2opk s ARG 27 CO -0.02 -0.33 1.86 0.21 -0.68 0.00 0.00 175.30 176.34 2opk s LYS 28 N -4.09 4.14 -0.83 3.54 2.36 -1.26 -1.62 119.74 121.99 2opk s LYS 28 Ca 0.38 2.59 0.00 0.00 -2.55 0.00 0.00 55.97 56.39 2opk s LYS 28 Cb 0.07 -3.77 0.00 0.00 -1.05 0.00 0.00 37.83 33.09 2opk s LYS 28 CO 0.13 -0.87 0.00 0.41 1.55 0.00 0.00 175.35 176.57 2opk n GLY 29 N 4.32 0.98 3.17 5.54 0.00 -1.26 -5.01 105.19 112.92 2opk n GLY 29 Ca 0.18 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 2opk n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2opk s LEU 30 N -1.79 0.12 -0.04 0.99 2.96 -0.64 -3.64 118.68 116.65 2opk s LEU 30 Ca 0.00 0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 54.63 2opk s LEU 30 Cb 0.00 1.06 0.03 0.00 0.50 0.00 0.00 46.19 47.78 2opk s LEU 30 CO 0.00 -0.18 0.02 -0.75 -1.32 0.00 0.00 176.35 174.12 2opk s LYS 31 N 1.38 0.19 -0.20 1.98 2.20 -0.46 -1.10 119.74 123.72 2opk s LYS 31 Ca -0.09 0.18 -0.08 0.00 -0.36 0.00 0.00 55.97 55.62 2opk s LYS 31 Cb -0.09 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 2opk s LYS 31 CO -0.11 -0.22 0.07 0.42 -0.36 0.00 0.00 175.35 175.16 2opk s ILE 32 N 1.46 4.72 0.04 5.43 1.01 0.48 -0.38 121.20 133.96 2opk s ILE 32 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 2opk s ILE 32 Cb -0.13 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2opk s ILE 32 CO -0.03 0.42 0.04 -1.83 0.00 0.00 0.00 174.94 173.54 2opk s GLU 33 N 0.69 0.55 -0.10 2.79 -1.05 0.38 -0.06 118.70 121.90 2opk s GLU 33 Ca 0.04 -0.87 -0.12 0.00 -0.15 0.00 0.00 54.97 53.87 2opk s GLU 33 Cb -0.13 0.21 -0.05 0.00 -0.44 0.00 0.00 34.13 33.72 2opk s GLU 33 CO 0.02 -0.12 0.28 0.50 0.95 0.00 0.00 175.26 176.88 2opk s ARG 34 N -2.80 3.92 -0.04 -4.83 3.52 0.03 -0.83 118.95 117.93 2opk s ARG 34 Ca -0.03 0.11 0.07 0.00 -0.13 0.00 0.00 55.73 55.74 2opk s ARG 34 Cb -0.00 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2opk s ARG 34 CO -0.06 0.53 -0.24 0.42 -0.81 0.00 0.00 175.30 175.14 2opk s ILE 35 N -0.41 2.20 -0.18 4.11 1.01 -0.73 -0.29 121.20 126.91 2opk s ILE 35 Ca 0.18 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2opk s ILE 35 Cb -0.14 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.57 2opk s ILE 35 CO 0.06 0.58 -0.16 -0.63 0.00 0.00 0.00 174.94 174.79 2opk s ILE 36 N -0.43 1.87 0.10 2.92 1.01 0.79 -0.61 121.20 126.85 2opk s ILE 36 Ca 0.05 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2opk s ILE 36 Cb -0.12 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 2opk s ILE 36 CO 0.01 0.41 0.02 -0.44 0.00 0.00 0.00 174.94 174.94 2opk s SER 37 N 1.35 5.08 -0.41 3.58 0.01 0.81 -0.91 113.70 123.21 2opk s SER 37 Ca 0.03 -0.18 0.11 0.00 1.31 0.00 0.00 55.95 57.22 2opk s SER 37 Cb -0.14 -1.22 0.36 0.00 0.21 0.00 0.00 66.02 65.22 2opk s SER 37 CO -0.11 0.16 0.80 0.59 0.41 0.00 0.00 173.24 175.09 2opk n ASN 38 N 0.42 1.78 0.00 2.44 3.02 -1.26 -0.31 115.26 121.35 2opk n ASN 38 Ca -0.10 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.29 2opk n ASN 38 Cb 0.52 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2opk n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2opk n GLY 39 N 0.12 0.66 3.79 7.41 0.00 -1.16 -4.89 105.19 111.12 2opk n GLY 39 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 2opk n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2opk s GLN 40 N -0.68 3.92 0.19 1.61 1.11 -1.26 -4.43 119.66 120.12 2opk s GLN 40 Ca 0.00 1.42 0.06 0.00 0.01 0.00 0.00 55.36 56.85 2opk s GLN 40 Cb 0.00 -2.25 -0.05 0.00 -1.01 0.00 0.00 33.01 29.70 2opk s GLN 40 CO 0.00 -0.33 -0.11 0.00 0.01 0.00 0.00 175.29 174.85 2opk s ALA 41 N -1.86 1.79 0.30 6.09 0.00 -1.26 -3.32 121.76 123.49 2opk s ALA 41 Ca 0.64 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2opk s ALA 41 Cb -0.18 0.02 -0.11 0.00 0.00 0.00 0.00 23.12 22.85 2opk s ALA 41 CO 0.23 -0.03 1.53 -1.12 0.00 0.00 0.00 175.76 176.36 2opk s SER 42 N -3.26 6.46 0.85 0.00 0.01 0.99 -4.96 113.70 113.79 2opk s SER 42 Ca 0.21 2.88 -0.11 0.00 1.31 0.00 0.00 55.95 60.24 2opk s SER 42 Cb 0.01 -2.64 0.11 0.00 0.21 0.00 0.00 66.02 63.71 2opk s SER 42 CO 0.05 -0.84 1.15 -2.84 0.41 0.00 0.00 173.24 171.17 2opk s PRO 43 N -0.77 1.46 0.06 12.44 0.02 -1.26 -4.86 135.00 142.09 2opk s PRO 43 Ca 0.60 1.55 -0.37 0.00 0.02 0.00 0.00 61.00 62.80 2opk s PRO 43 Cb -0.46 -1.78 -0.17 0.00 0.02 0.00 0.00 34.50 32.12 2opk s PRO 43 CO 0.49 -2.30 1.37 -2.30 -0.33 0.00 0.00 177.00 173.93 2opk n PRO 44 N -3.77 1.12 0.00 5.54 -0.02 -1.26 -1.04 135.00 135.56 2opk n PRO 44 Ca 0.12 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2opk n PRO 44 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2opk n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opk n GLY 45 N 2.63 2.81 3.70 -1.23 0.00 -1.26 -5.01 105.19 106.82 2opk n GLY 45 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2opk n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2opk s PHE 46 N -2.16 3.57 -0.03 1.61 5.36 -0.21 -5.06 117.98 121.06 2opk s PHE 46 Ca 0.00 1.50 0.04 0.00 -0.96 0.00 0.00 56.93 57.50 2opk s PHE 46 Cb 0.00 -3.04 -0.00 0.00 -0.34 0.00 0.00 43.02 39.63 2opk s PHE 46 CO 0.00 -0.07 -0.13 -1.58 -1.46 0.00 0.00 175.22 171.97 2opk s TRP 47 N 1.38 1.35 0.56 10.12 0.52 -1.26 -4.76 118.94 126.85 2opk s TRP 47 Ca 0.45 -0.35 -0.18 0.00 0.02 0.00 0.00 56.10 56.04 2opk s TRP 47 Cb -0.19 -0.92 -0.05 0.00 -1.15 0.00 0.00 33.47 31.16 2opk s TRP 47 CO 0.21 -0.12 1.08 0.71 0.02 0.00 0.00 176.95 178.85 2opk s TYR 48 N 0.06 2.83 -0.29 -1.98 2.02 0.73 -4.88 117.35 115.83 2opk s TYR 48 Ca -0.02 1.55 0.03 0.00 -0.37 0.00 0.00 57.07 58.25 2opk s TYR 48 Cb -0.10 -3.14 0.20 0.00 -0.40 0.00 0.00 41.96 38.52 2opk s TYR 48 CO 0.01 -1.28 0.62 0.34 -1.57 0.00 0.00 175.55 173.67 2opk s ASP 49 N -2.23 -1.50 0.04 2.29 -1.08 -1.26 -2.44 116.67 110.49 2opk s ASP 49 Ca 0.68 0.35 0.06 0.00 -0.52 0.00 0.00 52.55 53.12 2opk s ASP 49 Cb -0.19 2.02 -0.03 0.00 -1.46 0.00 0.00 42.92 43.25 2opk s ASP 49 CO 0.30 -0.28 -0.14 -0.55 0.52 0.00 0.00 175.17 175.02 2opk s SER 50 N 2.85 4.07 0.02 -0.34 0.15 -1.26 -4.90 113.70 114.29 2opk s SER 50 Ca 0.13 -0.36 0.23 0.00 0.70 0.00 0.00 55.95 56.65 2opk s SER 50 Cb -0.11 -0.75 0.95 0.00 -1.71 0.00 0.00 66.02 64.41 2opk s SER 50 CO -0.24 0.25 1.72 -0.81 1.20 0.00 0.00 173.24 175.35 2opk n PRO 51 N 1.40 0.02 -3.93 5.44 -0.04 -1.26 0.61 135.00 137.24 2opk n PRO 51 Ca -0.16 0.13 -0.27 0.00 -0.04 0.00 0.00 63.50 63.16 2opk n PRO 51 Cb 0.52 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 2opk n PRO 51 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2opk s GLN 52 N -3.02 3.44 0.51 0.54 -0.21 -1.26 -4.44 119.66 115.22 2opk s GLN 52 Ca 0.11 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.74 2opk s GLN 52 Cb 0.14 -2.97 -0.08 0.00 1.00 0.00 0.00 33.01 31.10 2opk s GLN 52 CO 0.42 0.53 1.05 -0.51 -2.12 0.00 0.00 175.29 174.66 2opk s ASP 53 N -3.08 6.22 -0.00 5.90 1.11 0.20 -3.69 116.67 123.32 2opk s ASP 53 Ca 0.35 1.93 0.03 0.00 0.18 0.00 0.00 52.55 55.03 2opk s ASP 53 Cb -0.11 -2.56 -0.01 0.00 1.07 0.00 0.00 42.92 41.31 2opk s ASP 53 CO 0.28 -0.87 -0.09 -0.70 1.18 0.00 0.00 175.17 174.98 2opk s GLU 54 N -3.37 0.67 -0.12 8.23 2.12 -0.04 -1.50 118.70 124.70 2opk s GLU 54 Ca 0.67 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.68 2opk s GLU 54 Cb -0.17 -0.64 0.01 0.00 0.26 0.00 0.00 34.13 33.59 2opk s GLU 54 CO 0.23 0.17 -0.19 -0.46 -0.54 0.00 0.00 175.26 174.47 2opk s TRP 55 N -0.29 2.30 0.35 5.30 -0.00 -0.28 0.39 118.94 126.72 2opk s TRP 55 Ca 0.02 -1.08 0.07 0.00 -0.00 0.00 0.00 56.10 55.12 2opk s TRP 55 Cb -0.04 -1.60 -0.03 0.00 -0.00 0.00 0.00 33.47 31.81 2opk s TRP 55 CO -0.00 -0.50 0.26 0.54 -0.00 0.00 0.00 176.95 177.25 2opk s VAL 56 N 0.77 0.09 -0.12 5.86 0.11 -0.31 -0.53 120.40 126.28 2opk s VAL 56 Ca -0.10 -2.00 0.01 0.00 -2.93 0.00 0.00 61.98 56.96 2opk s VAL 56 Cb -0.16 -2.46 0.02 0.00 -1.53 0.00 0.00 36.38 32.25 2opk s VAL 56 CO 0.01 0.00 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.96 2opk s VAL 58 N -3.37 1.36 -0.19 2.04 1.01 -0.76 -0.03 120.40 120.47 2opk s VAL 58 Ca 0.37 -0.52 0.18 0.00 0.00 0.00 0.00 61.98 62.01 2opk s VAL 58 Cb 0.02 -1.29 -0.25 0.00 0.00 0.00 0.00 36.38 34.87 2opk s VAL 58 CO 0.26 0.42 0.11 0.52 0.00 0.00 0.00 175.10 176.41 2opk n VAL 59 N 4.60 1.41 -3.83 2.92 0.31 -0.15 -0.50 118.33 123.08 2opk n VAL 59 Ca -0.17 -0.85 -0.09 0.00 -0.01 0.00 0.00 64.34 63.22 2opk n VAL 59 Cb 0.50 -0.50 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 2opk n VAL 59 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2opk s SER 60 N -5.54 -0.04 0.19 4.52 1.04 -1.07 -4.72 113.70 108.09 2opk s SER 60 Ca -0.10 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2opk s SER 60 Cb 0.06 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2opk s SER 60 CO 0.83 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2opk n GLY 61 N -0.19 0.32 3.56 7.32 0.00 -1.24 -2.03 105.19 112.93 2opk n GLY 61 Ca -0.12 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 44.91 2opk n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2opk s SER 62 N -4.00 -0.30 0.24 1.61 1.04 -1.26 -4.00 113.70 107.02 2opk s SER 62 Ca 0.00 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.14 2opk s SER 62 Cb 0.00 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.55 2opk s SER 62 CO 0.00 -0.63 0.90 0.00 0.98 0.00 0.00 173.24 174.49 2opk s ALA 63 N -3.06 -1.36 -0.02 5.32 0.00 -1.26 -0.72 121.76 120.65 2opk s ALA 63 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2opk s ALA 63 Cb -0.01 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.85 2opk s ALA 63 CO -0.06 -1.04 -0.02 0.20 0.00 0.00 0.00 175.76 174.84 2opk s GLY 64 N -3.08 0.28 -0.03 0.00 0.00 -0.66 -4.51 107.32 99.32 2opk s GLY 64 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.95 2opk s GLY 64 CO 0.06 0.35 -0.19 -0.42 0.00 0.00 0.00 173.10 172.89 2opk s ILE 65 N 0.67 1.55 -0.13 0.90 1.01 -0.93 -0.46 121.20 123.81 2opk s ILE 65 Ca -0.07 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2opk s ILE 65 Cb -0.10 -1.31 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 2opk s ILE 65 CO -0.01 0.44 -0.19 -0.70 0.00 0.00 0.00 174.94 174.48 2opk s GLU 66 N -0.22 3.18 0.02 2.79 2.12 -0.34 -0.26 118.70 125.99 2opk s GLU 66 Ca 0.02 -0.79 -0.00 0.00 0.36 0.00 0.00 54.97 54.55 2opk s GLU 66 Cb -0.10 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2opk s GLU 66 CO 0.01 0.13 0.12 0.00 -0.54 0.00 0.00 175.26 174.98 2opk s GLU 68 N -2.03 4.07 0.00 0.00 2.12 0.27 -1.65 118.70 121.47 2opk s GLU 68 Ca 0.27 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.91 2opk s GLU 68 Cb -0.12 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.39 2opk s GLU 68 CO 0.19 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 2opk n GLY 69 N 0.64 2.89 3.75 -1.50 0.00 -1.26 -4.92 105.19 104.79 2opk n GLY 69 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2opk n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opk s ASP 70 N 0.51 5.16 0.36 1.61 1.01 -0.66 -4.94 116.67 119.72 2opk s ASP 70 Ca 0.00 2.70 0.17 0.00 0.71 0.00 0.00 52.55 56.13 2opk s ASP 70 Cb 0.00 -2.63 0.65 0.00 1.01 0.00 0.00 42.92 41.95 2opk s ASP 70 CO 0.00 -1.64 1.73 0.74 0.21 0.00 0.00 175.17 176.21 2opk h THR 71 N 1.25 1.04 -3.18 -1.27 2.02 -1.96 -3.47 112.91 107.34 2opk h THR 71 Ca -0.51 -1.58 -0.00 0.00 0.77 0.00 0.00 66.41 65.09 2opk h THR 71 Cb 1.31 1.92 -0.10 0.00 -1.74 0.00 0.00 68.15 69.54 2opk h THR 71 CO 0.56 0.41 0.11 0.00 0.37 0.00 0.00 175.52 176.97 2opk s ALA 72 N -3.71 -1.13 0.83 6.16 0.00 -1.26 -5.16 121.76 117.49 2opk s ALA 72 Ca -0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 2opk s ALA 72 Cb 0.12 0.86 0.10 0.00 0.00 0.00 0.00 23.12 24.20 2opk s ALA 72 CO 0.70 -0.84 1.16 -2.14 0.00 0.00 0.00 175.76 174.64 2opk s PRO 73 N -3.86 1.59 -0.11 0.00 0.02 -1.26 -4.77 135.00 126.61 2opk s PRO 73 Ca 0.08 1.57 -0.04 0.00 0.02 0.00 0.00 61.00 62.62 2opk s PRO 73 Cb -0.02 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 2opk s PRO 73 CO -0.03 -2.21 0.05 1.03 -0.33 0.00 0.00 177.00 175.51 2opk s ARG 74 N -4.43 3.26 0.50 5.54 0.52 0.64 -4.89 118.95 120.09 2opk s ARG 74 Ca 0.68 -0.32 -0.08 0.00 -0.52 0.00 0.00 55.73 55.49 2opk s ARG 74 Cb -0.24 -2.97 0.12 0.00 0.52 0.00 0.00 34.95 32.38 2opk s ARG 74 CO 0.53 0.66 0.43 0.28 0.02 0.00 0.00 175.30 177.22 2opk n VAL 75 N 2.30 0.00 -3.69 3.52 0.31 -1.26 -2.18 118.33 117.33 2opk n VAL 75 Ca -0.19 -0.18 0.03 0.00 -0.01 0.00 0.00 64.34 63.99 2opk n VAL 75 Cb 0.54 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2opk n VAL 75 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2opk s ARG 77 N -3.98 0.27 0.13 5.55 1.81 -1.26 -4.96 118.95 116.51 2opk s ARG 77 Ca 0.28 -0.16 -0.35 0.00 -1.72 0.00 0.00 55.73 53.78 2opk s ARG 77 Cb -0.03 0.09 -0.15 0.00 -0.45 0.00 0.00 34.95 34.41 2opk s ARG 77 CO 0.22 -0.13 1.48 -2.30 -0.68 0.00 0.00 175.30 173.89 2opk n PRO 78 N -0.59 1.74 0.00 3.54 -0.02 -1.26 -1.40 135.00 137.01 2opk n PRO 78 Ca -0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2opk n PRO 78 Cb 0.62 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2opk n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opk n GLY 79 N 3.04 3.35 3.72 -1.23 0.00 0.34 -4.99 105.19 109.41 2opk n GLY 79 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2opk n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opk s ASP 80 N -0.68 7.06 0.17 1.61 1.01 -0.49 -4.88 116.67 120.47 2opk s ASP 80 Ca 0.00 2.09 0.06 0.00 0.71 0.00 0.00 52.55 55.41 2opk s ASP 80 Cb 0.00 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2opk s ASP 80 CO 0.00 -0.46 -0.12 -1.66 0.21 0.00 0.00 175.17 173.14 2opk s TRP 81 N 0.78 1.46 -0.05 4.23 1.48 -1.26 -1.82 118.94 123.76 2opk s TRP 81 Ca 0.58 -0.68 -0.02 0.00 -1.06 0.00 0.00 56.10 54.92 2opk s TRP 81 Cb -0.31 -0.71 0.04 0.00 -1.16 0.00 0.00 33.47 31.33 2opk s TRP 81 CO 0.31 0.20 0.10 -1.17 -4.06 0.00 0.00 176.95 172.33 2opk s LEU 82 N -3.23 0.70 -0.28 -4.66 2.96 0.96 -4.97 118.68 110.15 2opk s LEU 82 Ca 0.19 0.20 -0.14 0.00 -0.22 0.00 0.00 54.13 54.16 2opk s LEU 82 Cb 0.01 0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.84 2opk s LEU 82 CO 0.03 -0.16 0.35 -2.28 -1.32 0.00 0.00 176.35 172.97 2opk s HIS 83 N 1.35 3.23 -0.37 5.38 5.65 -1.26 -1.16 115.29 128.11 2opk s HIS 83 Ca -0.07 0.29 -0.07 0.00 0.25 0.00 0.00 55.06 55.46 2opk s HIS 83 Cb -0.12 -2.57 0.06 0.00 -1.18 0.00 0.00 32.58 28.77 2opk s HIS 83 CO -0.05 -0.26 0.16 0.08 -0.65 0.00 0.00 174.74 174.03 2opk s VAL 84 N 2.02 3.87 0.63 0.89 1.01 0.16 -4.99 120.40 123.99 2opk s VAL 84 Ca 0.13 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 2opk s VAL 84 Cb -0.16 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2opk s VAL 84 CO 0.10 -0.33 1.26 -2.84 0.00 0.00 0.00 175.10 173.29 2opk s PRO 85 N 1.38 2.72 0.12 2.72 0.02 -1.26 -0.86 135.00 139.84 2opk s PRO 85 Ca 0.01 1.97 -0.34 0.00 0.02 0.00 0.00 61.00 62.65 2opk s PRO 85 Cb -0.21 -1.88 -0.17 0.00 0.02 0.00 0.00 34.50 32.26 2opk s PRO 85 CO 0.02 -1.44 1.05 0.00 -0.33 0.00 0.00 177.00 176.30 2opk n ALA 86 N -1.78 -1.93 -0.84 -1.55 0.00 -1.24 -1.13 120.51 112.03 2opk n ALA 86 Ca 0.15 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2opk n ALA 86 Cb 0.49 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2opk n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2opk n HIS 87 N 1.37 0.00 -2.49 0.00 8.25 0.20 -4.97 115.22 117.58 2opk n HIS 87 Ca 0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.20 2opk n HIS 87 Cb 0.19 -1.24 -0.02 0.00 1.12 0.00 0.00 29.99 30.05 2opk n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2opk s ARG 89 N 3.61 4.74 0.17 0.00 0.52 -1.26 -4.67 118.95 122.06 2opk s ARG 89 Ca 0.52 1.41 -0.17 0.00 -0.52 0.00 0.00 55.73 56.98 2opk s ARG 89 Cb -0.18 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.22 2opk s ARG 89 CO 0.15 0.43 0.48 -3.38 0.02 0.00 0.00 175.30 173.00 2opk s HIS 90 N -1.35 -0.13 0.09 -0.53 -3.43 -1.02 -0.57 115.29 108.36 2opk s HIS 90 Ca 0.44 -0.20 -0.12 0.00 -0.80 0.00 0.00 55.06 54.37 2opk s HIS 90 Cb -0.23 0.33 0.02 0.00 -1.43 0.00 0.00 32.58 31.27 2opk s HIS 90 CO 0.29 -0.84 0.29 -0.98 -2.00 0.00 0.00 174.74 171.49 2opk s ARG 91 N -3.86 0.92 -0.47 -0.38 1.70 -0.28 -0.19 118.95 116.39 2opk s ARG 91 Ca 0.08 -0.77 -0.20 0.00 -0.47 0.00 0.00 55.73 54.36 2opk s ARG 91 Cb 0.00 0.39 0.04 0.00 -0.57 0.00 0.00 34.95 34.81 2opk s ARG 91 CO -0.06 -0.32 0.65 0.08 -1.08 0.00 0.00 175.30 174.57 2opk s VAL 92 N -3.57 4.82 0.17 4.99 1.01 -1.26 -1.20 120.40 125.36 2opk s VAL 92 Ca 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 2opk s VAL 92 Cb 0.03 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 2opk s VAL 92 CO -0.10 -0.69 1.48 0.00 0.00 0.00 0.00 175.10 175.79 2opk h ALA 93 N 8.94 0.63 -2.71 5.51 0.00 -1.12 0.28 119.26 130.80 2opk h ALA 93 Ca -0.26 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.18 2opk h ALA 93 Cb 1.09 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 2opk h ALA 93 CO 0.92 0.68 0.32 1.67 0.00 0.00 0.00 179.25 182.85 2opk s TRP 94 N -4.10 -0.47 0.19 0.00 -2.14 -1.17 -4.74 118.94 106.51 2opk s TRP 94 Ca -0.09 0.29 0.07 0.00 2.66 0.00 0.00 56.10 59.03 2opk s TRP 94 Cb 0.11 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.98 2opk s TRP 94 CO 0.86 -0.73 -0.13 0.95 -2.66 0.00 0.00 176.95 175.24 2opk s THR 95 N -3.48 1.58 0.05 0.66 -4.23 -1.21 -1.65 115.64 107.37 2opk s THR 95 Ca 0.02 -2.17 -0.36 0.00 -1.18 0.00 0.00 61.69 58.00 2opk s THR 95 Cb -0.01 -2.00 -0.15 0.00 1.34 0.00 0.00 72.50 71.68 2opk s THR 95 CO -0.11 -0.63 1.49 -0.67 -0.54 0.00 0.00 174.62 174.16 2opk n ASP 96 N -0.34 2.25 -0.00 3.99 -0.08 0.10 -4.51 116.55 117.97 2opk n ASP 96 Ca -0.08 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.42 2opk n ASP 96 Cb 0.60 -1.26 0.51 0.00 2.34 0.00 0.00 41.12 43.31 2opk n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2opk n GLY 97 N 3.11 -1.42 0.01 0.27 0.00 -1.26 -3.00 105.19 102.90 2opk n GLY 97 Ca 0.19 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2opk n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opk n GLY 98 N 1.50 -0.65 3.54 -0.02 0.00 -1.26 -4.94 105.19 103.35 2opk n GLY 98 Ca 0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2opk n GLY 98 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2opk s GLU 99 N -2.97 1.43 0.45 1.61 -1.05 -1.26 -5.12 118.70 111.79 2opk s GLU 99 Ca -0.04 -1.09 -0.25 0.00 -0.15 0.00 0.00 54.97 53.43 2opk s GLU 99 Cb 0.10 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 34.18 2opk s GLU 99 CO 0.62 -0.59 1.44 -2.14 0.95 0.00 0.00 175.26 175.54 2opk s PRO 100 N -3.95 3.68 -0.31 -4.83 0.02 -1.26 -4.65 135.00 123.70 2opk s PRO 100 Ca 0.16 2.45 -0.08 0.00 0.02 0.00 0.00 61.00 63.56 2opk s PRO 100 Cb -0.00 -2.66 0.01 0.00 0.02 0.00 0.00 34.50 31.86 2opk s PRO 100 CO 0.03 -0.84 0.12 0.99 -0.33 0.00 0.00 177.00 176.97 2opk s THR 101 N -1.19 4.25 -0.22 0.99 2.01 0.58 -3.64 115.64 118.42 2opk s THR 101 Ca 0.61 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 2opk s THR 101 Cb -0.44 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 2opk s THR 101 CO 0.57 0.04 0.13 -0.69 -0.69 0.00 0.00 174.62 173.99 2opk s VAL 102 N 1.54 5.26 0.22 3.82 1.01 -0.86 -0.13 120.40 131.27 2opk s VAL 102 Ca 0.03 0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.25 2opk s VAL 102 Cb -0.17 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2opk s VAL 102 CO 0.04 0.40 -0.10 0.26 0.00 0.00 0.00 175.10 175.69 2opk s TRP 103 N 0.72 2.55 -0.17 5.22 0.52 0.22 -0.98 118.94 127.03 2opk s TRP 103 Ca 0.07 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 55.93 2opk s TRP 103 Cb -0.12 -1.19 0.00 0.00 -1.15 0.00 0.00 33.47 31.01 2opk s TRP 103 CO 0.01 0.58 -0.16 -1.17 0.02 0.00 0.00 176.95 176.24 2opk s LEU 104 N -3.16 2.41 -0.01 2.99 2.96 -1.26 -1.78 118.68 120.82 2opk s LEU 104 Ca 0.27 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.72 2opk s LEU 104 Cb -0.07 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2opk s LEU 104 CO 0.16 0.04 -0.21 0.00 -1.32 0.00 0.00 176.35 175.02 2opk s ALA 105 N 1.06 1.77 -0.09 5.97 0.00 -0.01 -4.33 121.76 126.12 2opk s ALA 105 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2opk s ALA 105 Cb -0.14 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2opk s ALA 105 CO -0.04 0.43 -0.16 0.08 0.00 0.00 0.00 175.76 176.07 2opk s VAL 106 N -0.53 1.47 -0.11 0.00 1.01 0.31 -0.47 120.40 122.08 2opk s VAL 106 Ca 0.08 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2opk s VAL 106 Cb -0.08 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2opk s VAL 106 CO -0.01 0.43 -0.15 -1.00 0.00 0.00 0.00 175.10 174.38 2opk s HIS 107 N 0.78 2.74 0.37 5.22 3.76 0.49 -1.13 115.29 127.52 2opk s HIS 107 Ca -0.11 -0.60 -0.06 0.00 -0.15 0.00 0.00 55.06 54.14 2opk s HIS 107 Cb -0.16 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.78 2opk s HIS 107 CO 0.02 -0.16 0.59 0.00 -0.85 0.00 0.00 174.74 174.34 2opk s ASP 109 N -3.16 6.36 0.00 0.00 1.01 -1.24 0.59 116.67 120.22 2opk s ASP 109 Ca 0.25 1.99 0.17 0.00 0.71 0.00 0.00 52.55 55.67 2opk s ASP 109 Cb -0.02 -2.57 0.99 0.00 1.01 0.00 0.00 42.92 42.32 2opk s ASP 109 CO 0.18 -0.77 1.39 0.00 0.21 0.00 0.00 175.17 176.18