#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obk s PRO 6 N 0.00 2.26 0.11 1.97 0.04 -1.26 -4.41 135.00 133.71 2obk s PRO 6 Ca 0.00 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.08 2obk s PRO 6 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2obk s PRO 6 CO 0.00 -1.80 -0.15 -1.21 0.04 0.00 0.00 177.00 173.88 2obk s GLU 7 N -3.61 1.00 -0.00 4.56 2.02 -1.26 -0.54 118.70 120.86 2obk s GLU 7 Ca 0.80 -1.17 0.07 0.00 0.02 0.00 0.00 54.97 54.69 2obk s GLU 7 Cb -0.35 -0.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.90 2obk s GLU 7 CO 0.43 0.20 -0.22 0.08 0.02 0.00 0.00 175.26 175.77 2obk s VAL 8 N -1.82 1.77 -0.14 2.63 1.01 -0.85 -1.54 120.40 121.46 2obk s VAL 8 Ca 0.06 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2obk s VAL 8 Cb -0.07 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.84 2obk s VAL 8 CO 0.03 0.44 -0.17 -0.63 0.00 0.00 0.00 175.10 174.77 2obk s ILE 9 N -0.59 1.71 -0.42 2.22 -1.09 0.18 -0.35 121.20 122.86 2obk s ILE 9 Ca 0.09 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.71 2obk s ILE 9 Cb -0.09 -1.56 0.10 0.00 -1.58 0.00 0.00 42.46 39.34 2obk s ILE 9 CO -0.00 0.48 0.24 -0.63 -1.23 0.00 0.00 174.94 173.80 2obk s ILE 10 N 1.17 3.72 -0.05 2.92 1.01 0.50 -1.45 121.20 129.02 2obk s ILE 10 Ca -0.01 -1.80 -0.22 0.00 0.00 0.00 0.00 60.65 58.62 2obk s ILE 10 Cb -0.14 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2obk s ILE 10 CO -0.06 -0.64 0.64 -0.89 0.00 0.00 0.00 174.94 173.99 2obk s THR 11 N 1.27 5.00 0.00 2.92 2.01 0.29 -2.45 115.64 124.69 2obk s THR 11 Ca 0.06 1.33 -0.01 0.00 0.31 0.00 0.00 61.69 63.38 2obk s THR 11 Cb -0.24 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 2obk s THR 11 CO -0.02 0.32 0.00 -0.72 -0.69 0.00 0.00 174.62 173.51 2obk s TYR 12 N 0.43 0.10 -0.33 4.92 -0.85 -1.01 -1.66 117.35 118.95 2obk s TYR 12 Ca 0.34 -0.21 -0.29 0.00 -0.52 0.00 0.00 57.07 56.40 2obk s TYR 12 Cb -0.18 -0.08 -0.00 0.00 0.38 0.00 0.00 41.96 42.08 2obk s TYR 12 CO 0.17 -0.10 1.48 0.00 -1.52 0.00 0.00 175.55 175.58 2obk h THR 14 N 6.30 1.09 -0.33 0.00 1.35 -1.73 -2.98 112.91 116.61 2obk h THR 14 Ca -0.29 -0.26 0.06 0.00 -0.55 0.00 0.00 66.41 65.37 2obk h THR 14 Cb 1.12 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.60 2obk h THR 14 CO 1.05 0.08 0.23 1.56 -0.25 0.00 0.00 175.52 178.18 2obk h GLN 15 N 0.07 0.17 0.00 4.72 1.08 -1.92 -0.28 115.11 118.95 2obk h GLN 15 Ca 0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2obk h GLN 15 Cb 0.08 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2obk h GLN 15 CO -0.01 0.11 0.00 0.00 -0.95 0.00 0.00 178.83 177.99 2obk n GLN 17 N -2.10 -0.74 -0.43 0.00 1.13 -0.12 -4.94 117.38 110.19 2obk n GLN 17 Ca 0.02 0.35 0.01 0.00 -1.94 0.00 0.00 57.00 55.44 2obk n GLN 17 Cb 0.21 -4.21 0.17 0.00 0.11 0.00 0.00 30.24 26.51 2obk n GLN 17 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 2obk n TRP 18 N -3.96 1.00 0.02 1.08 8.01 -1.21 -4.28 117.44 118.10 2obk n TRP 18 Ca -0.08 -0.44 -0.12 0.00 -1.31 0.00 0.00 57.50 55.55 2obk n TRP 18 Cb 0.56 -0.33 -0.08 0.00 -2.01 0.00 0.00 31.31 29.45 2obk n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2obk h LEU 19 N 1.68 -0.00 -2.20 -0.99 5.85 -1.87 -2.00 115.31 115.78 2obk h LEU 19 Ca 0.04 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2obk h LEU 19 Cb 1.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2obk h LEU 19 CO 0.26 0.21 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.48 2obk h LEU 20 N -0.22 0.00 0.42 2.25 -0.00 -1.99 0.33 115.31 116.11 2obk h LEU 20 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2obk h LEU 20 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2obk h LEU 20 CO 0.00 0.02 -0.20 0.03 -0.00 0.00 0.00 178.44 178.29 2obk h ARG 21 N 0.00 -0.54 -0.73 1.13 3.08 -1.75 -1.84 114.38 113.73 2obk h ARG 21 Ca -0.00 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2obk h ARG 21 Cb 0.05 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2obk h ARG 21 CO 0.00 -0.26 0.42 0.00 -1.07 0.00 0.00 179.97 179.06 2obk h ALA 22 N -0.82 0.93 -0.33 0.04 0.00 -1.10 -1.44 119.26 116.54 2obk h ALA 22 Ca -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2obk h ALA 22 Cb 0.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2obk h ALA 22 CO 0.09 0.42 0.12 0.00 0.00 0.00 0.00 179.25 179.89 2obk h ALA 23 N 1.22 0.43 -0.07 0.00 0.00 -0.42 0.51 119.26 120.92 2obk h ALA 23 Ca 0.26 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2obk h ALA 23 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2obk h ALA 23 CO -0.04 0.05 -0.09 2.35 0.00 0.00 0.00 179.25 181.52 2obk h TRP 24 N 0.38 -0.21 -0.36 0.00 7.01 -1.08 -1.85 115.95 119.85 2obk h TRP 24 Ca 0.11 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 2obk h TRP 24 Cb 0.22 0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 2obk h TRP 24 CO 0.00 -0.14 0.03 -0.07 -2.79 0.00 0.00 178.44 175.48 2obk h LEU 25 N -0.12 0.51 0.12 0.65 3.38 -1.09 -1.68 115.31 117.07 2obk h LEU 25 Ca 0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2obk h LEU 25 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2obk h LEU 25 CO -0.14 0.56 -0.20 0.00 0.09 0.00 0.00 178.44 178.75 2obk h ALA 26 N 1.51 -0.34 -0.84 1.53 0.00 -0.20 -0.83 119.26 120.09 2obk h ALA 26 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2obk h ALA 26 Cb 0.30 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2obk h ALA 26 CO 0.01 -0.73 0.54 1.96 0.00 0.00 0.00 179.25 181.03 2obk h GLN 27 N -0.38 1.12 -0.62 0.00 4.20 -1.04 0.21 115.11 118.60 2obk h GLN 27 Ca 0.02 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.73 2obk h GLN 27 Cb 0.40 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 2obk h GLN 27 CO -0.10 0.76 0.29 0.93 -0.67 0.00 0.00 178.83 180.04 2obk h GLU 28 N 1.15 0.50 -0.14 1.46 4.39 -0.83 0.48 114.58 121.59 2obk h GLU 28 Ca 0.31 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 2obk h GLU 28 Cb -0.10 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.44 2obk h GLU 28 CO -0.06 0.33 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.93 2obk h LEU 29 N 0.52 0.35 -0.85 1.33 3.38 -0.29 -2.56 115.31 117.18 2obk h LEU 29 Ca 0.30 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2obk h LEU 29 Cb 0.30 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2obk h LEU 29 CO -0.25 0.74 0.15 -0.07 0.09 0.00 0.00 178.44 179.10 2obk h LEU 30 N -0.04 0.95 -0.91 1.67 3.38 -0.22 0.98 115.31 121.12 2obk h LEU 30 Ca 0.02 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2obk h LEU 30 Cb 0.63 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2obk h LEU 30 CO 0.03 0.92 -0.42 -1.28 0.09 0.00 0.00 178.44 177.77 2obk h SER 31 N 0.96 0.26 0.72 -0.43 0.87 -0.08 -1.91 113.55 113.95 2obk h SER 31 Ca 0.20 -0.11 -0.20 0.00 -1.23 0.00 0.00 61.79 60.45 2obk h SER 31 Cb 0.34 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2obk h SER 31 CO 0.00 0.66 -1.40 0.74 -0.53 0.00 0.00 176.83 176.31 2obk h THR 32 N 0.21 0.68 -0.46 2.23 2.02 -1.13 -3.38 112.91 113.07 2obk h THR 32 Ca 0.02 -2.27 -0.34 0.00 0.77 0.00 0.00 66.41 64.59 2obk h THR 32 Cb 0.84 2.20 -0.30 0.00 -1.74 0.00 0.00 68.15 69.15 2obk h THR 32 CO 0.07 0.39 -0.78 0.49 0.37 0.00 0.00 175.52 176.05 2obk n PHE 33 N -2.98 1.64 0.28 3.16 3.72 0.31 -4.83 117.46 118.76 2obk n PHE 33 Ca -0.10 -1.91 0.14 0.00 -0.05 0.00 0.00 57.45 55.53 2obk n PHE 33 Cb 0.89 -0.29 0.73 0.00 -0.94 0.00 0.00 39.48 39.87 2obk n PHE 33 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2obk h SER 34 N 1.83 0.00 0.00 4.37 4.64 -1.53 -0.24 113.55 122.61 2obk h SER 34 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2obk h SER 34 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2obk h SER 34 CO 0.44 0.00 -0.95 0.47 -0.87 0.00 0.00 176.83 175.92 2obk n ASP 35 N -2.66 1.10 -0.10 4.97 10.43 -1.26 -4.67 116.55 124.35 2obk n ASP 35 Ca -0.02 -0.52 -0.22 0.00 2.57 0.00 0.00 54.79 56.61 2obk n ASP 35 Cb 0.31 1.21 -0.12 0.00 1.84 0.00 0.00 41.12 44.36 2obk n ASP 35 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 2obk n ASP 36 N -1.53 2.00 -4.84 -2.24 10.43 -0.23 -4.97 116.55 115.17 2obk n ASP 36 Ca 0.01 0.09 -0.33 0.00 2.57 0.00 0.00 54.79 57.13 2obk n ASP 36 Cb 0.25 -0.65 -0.06 0.00 1.84 0.00 0.00 41.12 42.50 2obk n ASP 36 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2obk s LEU 37 N -6.97 4.01 -0.16 0.64 1.43 -0.47 -4.21 118.68 112.95 2obk s LEU 37 Ca -0.33 1.41 0.16 0.00 -1.03 0.00 0.00 54.13 54.35 2obk s LEU 37 Cb 0.10 -4.23 -0.23 0.00 0.03 0.00 0.00 46.19 41.85 2obk s LEU 37 CO 0.61 -0.27 0.10 0.61 0.23 0.00 0.00 176.35 177.63 2obk n GLY 38 N -0.51 -0.89 3.49 -3.19 0.00 0.29 -4.87 105.19 99.52 2obk n GLY 38 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2obk n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2obk s LYS 39 N -2.52 0.31 -0.25 1.61 2.20 -1.25 -5.05 119.74 114.79 2obk s LYS 39 Ca -0.09 0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 56.11 2obk s LYS 39 Cb 0.06 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2obk s LYS 39 CO 0.75 -0.09 0.09 0.08 -0.36 0.00 0.00 175.35 175.81 2obk s VAL 40 N 2.02 4.51 -0.14 4.02 1.01 -1.26 -2.00 120.40 128.56 2obk s VAL 40 Ca -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 2obk s VAL 40 Cb -0.05 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2obk s VAL 40 CO -0.16 0.34 -0.04 -0.44 0.00 0.00 0.00 175.10 174.79 2obk s SER 41 N 1.51 4.76 -0.34 3.32 0.01 0.53 -4.98 113.70 118.52 2obk s SER 41 Ca 0.06 -0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.15 2obk s SER 41 Cb -0.15 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.46 2obk s SER 41 CO 0.05 0.21 0.12 -0.22 0.41 0.00 0.00 173.24 173.81 2obk s LEU 42 N 0.08 4.32 -0.14 2.44 2.96 -1.26 -0.37 118.68 126.72 2obk s LEU 42 Ca -0.01 -1.06 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 2obk s LEU 42 Cb -0.14 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2obk s LEU 42 CO 0.03 -0.32 -0.15 -1.83 -1.32 0.00 0.00 176.35 172.76 2obk s GLU 43 N 1.44 3.26 0.68 1.98 -1.05 -1.02 -5.00 118.70 118.99 2obk s GLU 43 Ca -0.00 -0.74 -0.17 0.00 -0.15 0.00 0.00 54.97 53.91 2obk s GLU 43 Cb -0.19 -2.60 -0.01 0.00 -0.44 0.00 0.00 34.13 30.89 2obk s GLU 43 CO 0.03 0.11 1.02 -2.30 0.95 0.00 0.00 175.26 175.07 2obk n PRO 44 N 3.80 0.71 -3.86 -4.83 -0.02 -1.26 -2.40 135.00 127.14 2obk n PRO 44 Ca -0.19 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.45 2obk n PRO 44 Cb 0.52 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2obk n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2obk n ALA 45 N -2.20 -0.30 -2.30 3.55 0.00 0.13 -4.72 120.51 114.67 2obk n ALA 45 Ca 0.14 -1.55 -0.10 0.00 0.00 0.00 0.00 53.44 51.93 2obk n ALA 45 Cb 0.49 1.25 -0.09 0.00 0.00 0.00 0.00 19.45 21.09 2obk n ALA 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2obk s THR 46 N -2.80 0.09 -0.70 0.00 -4.23 -1.26 -1.91 115.64 104.82 2obk s THR 46 Ca 0.28 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.00 2obk s THR 46 Cb -0.01 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 2obk s THR 46 CO 0.20 -0.41 0.58 0.61 -0.54 0.00 0.00 174.62 175.06 2obk n GLY 47 N -0.13 -0.08 4.08 3.99 0.00 -1.26 -3.83 105.19 107.95 2obk n GLY 47 Ca -0.06 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2obk n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obk n GLY 48 N -1.12 -0.19 3.79 -0.02 0.00 -1.26 -4.95 105.19 101.45 2obk n GLY 48 Ca -0.15 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2obk n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obk s ALA 49 N -4.11 3.62 -0.33 4.61 0.00 -1.25 -4.92 121.76 119.37 2obk s ALA 49 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2obk s ALA 49 Cb -0.00 -1.75 0.16 0.00 0.00 0.00 0.00 23.12 21.53 2obk s ALA 49 CO 0.93 0.61 0.43 0.12 0.00 0.00 0.00 175.76 177.84 2obk s PHE 50 N -0.97 -0.86 -0.05 0.00 5.36 -1.25 -0.07 117.98 120.14 2obk s PHE 50 Ca 0.14 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.05 2obk s PHE 50 Cb -0.12 -0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.39 2obk s PHE 50 CO 0.03 -1.01 -0.11 0.50 -1.46 0.00 0.00 175.22 173.18 2obk s ARG 51 N 2.06 1.33 -0.32 10.12 3.52 -0.66 -0.90 118.95 134.10 2obk s ARG 51 Ca 0.13 -0.35 -0.01 0.00 -0.13 0.00 0.00 55.73 55.37 2obk s ARG 51 Cb -0.12 -1.17 0.07 0.00 -1.56 0.00 0.00 34.95 32.17 2obk s ARG 51 CO -0.18 0.07 0.04 0.42 -0.81 0.00 0.00 175.30 174.83 2obk s ILE 52 N 0.47 2.91 0.27 4.11 1.01 0.11 -0.54 121.20 129.53 2obk s ILE 52 Ca -0.09 -1.64 0.08 0.00 0.00 0.00 0.00 60.65 59.00 2obk s ILE 52 Cb -0.13 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2obk s ILE 52 CO 0.02 -0.27 0.14 0.42 0.00 0.00 0.00 174.94 175.25 2obk s THR 53 N 1.18 3.99 -0.25 2.92 -4.23 -0.53 0.27 115.64 118.99 2obk s THR 53 Ca -0.01 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 2obk s THR 53 Cb -0.20 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 70.53 2obk s THR 53 CO -0.03 -0.33 0.10 0.00 -0.54 0.00 0.00 174.62 173.82 2obk n ASP 55 N 5.16 -5.14 0.00 0.00 8.00 -0.59 -2.40 116.55 121.59 2obk n ASP 55 Ca -0.06 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2obk n ASP 55 Cb 0.45 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 2obk n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2obk n GLY 56 N -1.23 2.63 3.76 0.44 0.00 -1.26 -5.02 105.19 104.50 2obk n GLY 56 Ca -0.14 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2obk n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2obk s VAL 57 N -1.11 2.21 -0.01 1.61 1.01 -1.01 -4.88 120.40 118.21 2obk s VAL 57 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2obk s VAL 57 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2obk s VAL 57 CO 0.00 0.03 0.93 -1.58 0.00 0.00 0.00 175.10 174.49 2obk s GLN 58 N -0.92 4.54 -0.00 2.72 0.74 -1.26 -0.11 119.66 125.36 2obk s GLN 58 Ca 0.59 1.33 0.07 0.00 0.05 0.00 0.00 55.36 57.41 2obk s GLN 58 Cb -0.46 -3.46 -0.09 0.00 1.10 0.00 0.00 33.01 30.10 2obk s GLN 58 CO 0.51 -0.03 0.24 -0.89 -0.55 0.00 0.00 175.29 174.57 2obk n ILE 59 N 3.88 0.00 -3.64 -2.34 5.41 0.14 -4.94 119.36 117.88 2obk n ILE 59 Ca 0.05 -0.26 -0.08 0.00 1.00 0.00 0.00 62.75 63.45 2obk n ILE 59 Cb 0.51 0.71 -0.07 0.00 -0.71 0.00 0.00 39.64 40.08 2obk n ILE 59 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 2obk s TRP 60 N -2.04 -0.40 -0.13 1.39 -0.11 -0.92 -4.94 118.94 111.79 2obk s TRP 60 Ca 0.00 0.97 -0.07 0.00 1.22 0.00 0.00 56.10 58.23 2obk s TRP 60 Cb 0.05 0.39 0.05 0.00 -1.50 0.00 0.00 33.47 32.46 2obk s TRP 60 CO 0.30 -0.20 0.31 -2.00 -4.62 0.00 0.00 176.95 170.73 2obk s GLU 61 N 0.11 0.27 0.10 5.86 -6.30 -1.26 0.09 118.70 117.58 2obk s GLU 61 Ca 0.04 0.64 -0.22 0.00 -2.50 0.00 0.00 54.97 52.93 2obk s GLU 61 Cb -0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 34.13 33.95 2obk s GLU 61 CO -0.07 -0.17 1.38 -0.09 0.02 0.00 0.00 175.26 176.33 2obk h ARG 62 N 7.23 -0.12 0.62 4.30 2.43 -1.17 0.31 114.38 127.99 2obk h ARG 62 Ca -0.38 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 2obk h ARG 62 Cb 1.16 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2obk h ARG 62 CO 0.33 -0.08 -0.47 0.87 -1.51 0.00 0.00 179.97 179.12 2obk h LYS 63 N -0.12 -1.01 0.20 0.20 1.57 -1.87 0.46 116.57 116.00 2obk h LYS 63 Ca 0.08 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2obk h LYS 63 Cb 0.34 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2obk h LYS 63 CO -0.55 -0.67 -0.17 0.00 -0.57 0.00 0.00 179.45 177.49 2obk h ALA 64 N -1.12 -0.37 0.00 3.86 0.00 -1.94 -2.89 119.26 116.81 2obk h ALA 64 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2obk h ALA 64 Cb 0.87 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2obk h ALA 64 CO 0.03 -0.72 0.00 -0.25 0.00 0.00 0.00 179.25 178.30 2obk n ASP 65 N -5.29 0.38 -0.81 0.00 8.00 0.11 -4.96 116.55 113.98 2obk n ASP 65 Ca -0.08 0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.96 2obk n ASP 65 Cb 0.21 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 2obk n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2obk n GLY 66 N 1.29 0.48 0.00 0.44 0.00 0.64 -4.94 105.19 103.10 2obk n GLY 66 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2obk n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obk n GLY 67 N -0.81 0.25 3.64 -0.02 0.00 0.13 -5.02 105.19 103.36 2obk n GLY 67 Ca 0.00 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 2obk n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2obk s PHE 68 N 0.00 2.89 0.46 1.61 0.08 -1.26 -4.09 117.98 117.67 2obk s PHE 68 Ca 0.00 -0.08 -0.16 0.00 0.12 0.00 0.00 56.93 56.82 2obk s PHE 68 Cb 0.00 -1.50 -0.08 0.00 -0.57 0.00 0.00 43.02 40.87 2obk s PHE 68 CO 0.00 0.46 0.91 -1.25 -0.10 0.00 0.00 175.22 175.24 2obk s PRO 69 N -2.23 3.95 0.38 0.24 0.04 -1.26 -5.06 135.00 131.05 2obk s PRO 69 Ca 0.24 0.84 -0.16 0.00 0.04 0.00 0.00 61.00 61.96 2obk s PRO 69 Cb -0.11 -2.22 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 2obk s PRO 69 CO 0.16 -0.16 0.82 -1.21 0.04 0.00 0.00 177.00 176.65 2obk s GLU 70 N -3.83 4.03 0.28 4.56 2.02 -1.26 -4.91 118.70 119.58 2obk s GLU 70 Ca 0.57 0.78 0.00 0.00 0.02 0.00 0.00 54.97 56.35 2obk s GLU 70 Cb -0.10 -2.33 0.53 0.00 0.10 0.00 0.00 34.13 32.32 2obk s GLU 70 CO 0.28 0.05 1.84 0.00 0.02 0.00 0.00 175.26 177.44 2obk h ALA 71 N 1.92 1.48 0.50 5.21 0.00 -1.99 -1.94 119.26 124.43 2obk h ALA 71 Ca -0.48 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2obk h ALA 71 Cb 1.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2obk h ALA 71 CO 0.64 0.24 -0.37 -0.22 0.00 0.00 0.00 179.25 179.53 2obk h LYS 72 N 1.00 -0.82 0.29 0.00 3.64 -1.99 0.11 116.57 118.81 2obk h LYS 72 Ca 0.48 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2obk h LYS 72 Cb 0.45 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2obk h LYS 72 CO -0.26 -0.55 -0.28 0.28 -2.27 0.00 0.00 179.45 176.38 2obk h VAL 73 N -0.85 0.41 -0.63 2.00 2.07 -1.86 -1.81 116.25 115.58 2obk h VAL 73 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2obk h VAL 73 Cb 0.72 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2obk h VAL 73 CO 0.01 0.00 0.35 0.25 0.02 0.00 0.00 177.57 178.20 2obk h LEU 74 N -0.60 0.53 -0.74 2.57 5.85 -1.37 -0.97 115.31 120.58 2obk h LEU 74 Ca -0.01 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.83 2obk h LEU 74 Cb 0.55 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2obk h LEU 74 CO -0.05 0.35 0.39 0.50 -0.34 0.00 0.00 178.44 179.28 2obk h LYS 75 N 0.66 0.63 0.07 1.25 1.63 -0.68 -1.71 116.57 118.43 2obk h LYS 75 Ca 0.28 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.04 2obk h LYS 75 Cb 0.15 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2obk h LYS 75 CO -0.17 0.42 -0.04 1.96 -3.45 0.00 0.00 179.45 178.18 2obk h GLN 76 N 0.65 -0.10 -0.99 1.90 4.20 -0.65 -2.79 115.11 117.33 2obk h GLN 76 Ca 0.37 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.27 2obk h GLN 76 Cb 0.38 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.08 2obk h GLN 76 CO -0.27 0.35 0.61 0.00 -0.67 0.00 0.00 178.83 178.85 2obk h ARG 77 N -0.57 0.71 -0.07 1.46 3.08 -0.83 0.29 114.38 118.44 2obk h ARG 77 Ca -0.01 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 2obk h ARG 77 Cb 0.48 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2obk h ARG 77 CO 0.02 0.47 -0.60 0.28 -1.07 0.00 0.00 179.97 179.06 2obk h VAL 78 N 0.73 1.38 0.40 2.04 2.07 -1.36 -2.71 116.25 118.80 2obk h VAL 78 Ca 0.56 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2obk h VAL 78 Cb 0.93 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 2obk h VAL 78 CO -0.35 0.58 -0.19 -0.09 0.02 0.00 0.00 177.57 177.54 2obk h ARG 79 N 0.18 -0.52 -0.85 1.57 2.43 -0.26 -2.71 114.38 114.21 2obk h ARG 79 Ca -0.01 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 2obk h ARG 79 Cb 1.10 0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 30.69 2obk h ARG 79 CO 0.09 -0.21 0.49 -0.44 -1.51 0.00 0.00 179.97 178.40 2obk h ASP 80 N -0.92 0.70 -0.11 -3.80 3.32 -0.87 0.38 116.42 115.12 2obk h ASP 80 Ca -0.06 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.07 2obk h ASP 80 Cb 0.55 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2obk h ASP 80 CO 0.09 0.39 -0.07 -0.61 -1.72 0.00 0.00 179.24 177.33 2obk h GLN 81 N 0.81 -0.06 0.00 3.56 5.75 -1.51 -3.28 115.11 120.38 2obk h GLN 81 Ca 0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 2obk h GLN 81 Cb 0.39 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.95 2obk h GLN 81 CO -0.25 -0.04 0.00 -0.89 -2.65 0.00 0.00 178.83 174.99 2obk n ILE 82 N -5.20 0.00 -3.27 2.39 5.41 -0.88 -4.76 119.36 113.05 2obk n ILE 82 Ca -0.04 0.34 -0.45 0.00 1.00 0.00 0.00 62.75 63.60 2obk n ILE 82 Cb 0.13 -1.07 -0.06 0.00 -0.71 0.00 0.00 39.64 37.93 2obk n ILE 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2obk s ASP 83 N -2.46 6.18 0.00 4.38 3.68 0.13 -4.96 116.67 123.62 2obk s ASP 83 Ca 0.00 -1.49 -0.24 0.00 2.13 0.00 0.00 52.55 52.94 2obk s ASP 83 Cb 0.00 -2.23 -0.14 0.00 -1.45 0.00 0.00 42.92 39.10 2obk s ASP 83 CO 0.00 -0.86 1.04 -0.65 0.13 0.00 0.00 175.17 174.84 2obk h PRO 84 N 8.92 -0.73 0.00 4.34 0.11 -1.69 -3.28 132.00 139.68 2obk h PRO 84 Ca -0.29 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2obk h PRO 84 Cb 1.10 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2obk h PRO 84 CO 1.00 -0.44 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 2obk n GLU 85 N -5.29 0.64 -2.19 1.05 4.71 -1.26 -4.83 120.64 113.47 2obk n GLU 85 Ca -0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.68 2obk n GLU 85 Cb 0.32 -1.15 0.00 0.00 -1.01 0.00 0.00 31.44 29.60 2obk n GLU 85 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2obk s ARG 86 N -2.00 3.54 0.00 3.49 3.52 -1.24 -5.22 118.95 121.04 2obk s ARG 86 Ca 0.09 1.79 0.28 0.00 -0.13 0.00 0.00 55.73 57.76 2obk s ARG 86 Cb 0.04 -2.26 1.04 0.00 -1.56 0.00 0.00 34.95 32.21 2obk s ARG 86 CO 0.07 -0.74 1.74 -0.40 -0.81 0.00 0.00 175.30 175.16