#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jys s PRO 9 N 0.00 3.71 0.68 -1.09 0.04 -1.26 -4.84 135.00 132.24 2jys s PRO 9 Ca 0.00 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 2jys s PRO 9 Cb 0.00 -2.36 0.15 0.00 0.04 0.00 0.00 34.50 32.33 2jys s PRO 9 CO 0.00 -0.59 0.93 1.28 0.04 0.00 0.00 177.00 178.66 2jys n LEU 10 N -0.59 0.00 -4.34 -3.56 4.77 0.51 -4.77 117.00 109.03 2jys n LEU 10 Ca 0.08 -1.25 -0.32 0.00 -0.03 0.00 0.00 56.01 54.49 2jys n LEU 10 Cb 0.48 -0.68 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2jys n LEU 10 CO 0.47 -1.11 -0.53 -1.61 -1.33 0.00 0.00 177.39 173.28 2jys s GLU 11 N -4.96 2.53 -0.01 3.23 2.02 -1.26 -1.28 118.70 118.97 2jys s GLU 11 Ca 0.55 -0.84 -0.14 0.00 0.02 0.00 0.00 54.97 54.56 2jys s GLU 11 Cb -0.02 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 31.99 2jys s GLU 11 CO 0.38 0.46 0.29 0.00 0.02 0.00 0.00 175.26 176.41 2jys s ALA 12 N -0.35 -0.72 -0.16 5.21 0.00 -0.83 -2.22 121.76 122.68 2jys s ALA 12 Ca 0.02 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2jys s ALA 12 Cb -0.12 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.09 2jys s ALA 12 CO 0.02 -0.26 -0.18 -1.21 0.00 0.00 0.00 175.76 174.13 2jys s GLU 13 N -1.37 3.08 -0.16 0.00 2.02 -0.24 -0.75 118.70 121.28 2jys s GLU 13 Ca -0.14 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.05 2jys s GLU 13 Cb -0.05 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2jys s GLU 13 CO 0.04 -0.09 -0.17 0.42 0.02 0.00 0.00 175.26 175.48 2jys s ILE 14 N 1.03 2.49 -1.70 -1.63 1.01 0.68 0.41 121.20 123.49 2jys s ILE 14 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.81 2jys s ILE 14 Cb -0.15 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2jys s ILE 14 CO -0.05 0.52 0.00 1.17 0.00 0.00 0.00 174.94 176.58 2jys n LYS 15 N 4.20 -1.20 -0.49 2.79 3.00 -1.24 -0.87 118.16 124.35 2jys n LYS 15 Ca -0.19 1.03 0.00 0.00 -0.00 0.00 0.00 58.31 59.14 2jys n LYS 15 Cb 0.51 -5.28 0.00 0.00 0.00 0.00 0.00 35.03 30.26 2jys n LYS 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jys n GLY 16 N -0.95 0.86 3.72 3.14 0.00 -1.26 -5.03 105.19 105.67 2jys n GLY 16 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2jys n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jys s THR 17 N -3.03 5.30 -0.31 2.61 2.01 -0.05 -5.05 115.64 117.12 2jys s THR 17 Ca 0.00 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.32 2jys s THR 17 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.88 2jys s THR 17 CO 0.00 0.38 0.78 -0.75 -0.69 0.00 0.00 174.62 174.34 2jys s LYS 18 N 0.54 3.95 0.16 4.92 2.20 -1.26 -0.23 119.74 130.01 2jys s LYS 18 Ca 0.16 0.55 0.04 0.00 -0.36 0.00 0.00 55.97 56.36 2jys s LYS 18 Cb -0.13 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.41 2jys s LYS 18 CO 0.04 -0.68 -0.07 -0.51 -0.36 0.00 0.00 175.35 173.77 2jys s LEU 19 N 2.94 2.43 0.41 5.43 2.01 0.07 -5.00 118.68 126.98 2jys s LEU 19 Ca 0.32 -1.06 -0.13 0.00 0.01 0.00 0.00 54.13 53.26 2jys s LEU 19 Cb -0.14 -0.28 -0.07 0.00 0.01 0.00 0.00 46.19 45.70 2jys s LEU 19 CO 0.13 -0.40 0.82 -0.54 1.01 0.00 0.00 176.35 177.37 2jys s LYS 20 N -3.79 3.88 0.10 1.70 1.02 -1.26 -1.97 119.74 119.43 2jys s LYS 20 Ca 0.19 0.64 -0.03 0.00 0.02 0.00 0.00 55.97 56.80 2jys s LYS 20 Cb 0.04 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 2jys s LYS 20 CO 0.02 -0.05 0.07 0.00 -0.92 0.00 0.00 175.35 174.46 2jys s ALA 21 N -2.35 0.54 -0.11 5.17 0.00 -0.40 -2.84 121.76 121.77 2jys s ALA 21 Ca 0.54 -1.23 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2jys s ALA 21 Cb -0.10 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.65 2jys s ALA 21 CO 0.28 -0.47 -0.22 -1.01 0.00 0.00 0.00 175.76 174.34 2jys s HIS 22 N -3.98 2.48 -0.26 0.00 3.76 0.54 0.19 115.29 118.03 2jys s HIS 22 Ca 0.16 -1.12 -0.29 0.00 -0.15 0.00 0.00 55.06 53.66 2jys s HIS 22 Cb 0.07 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 32.09 2jys s HIS 22 CO -0.04 -0.49 1.03 -0.46 -0.85 0.00 0.00 174.74 173.94 2jys s TRP 23 N 0.60 3.28 -0.29 1.40 -0.00 -1.26 -2.34 118.94 120.32 2jys s TRP 23 Ca -0.13 1.36 0.01 0.00 -0.00 0.00 0.00 56.10 57.33 2jys s TRP 23 Cb -0.17 -3.38 0.09 0.00 -0.00 0.00 0.00 33.47 30.01 2jys s TRP 23 CO 0.04 -0.56 0.05 0.34 -0.00 0.00 0.00 176.95 176.81 2jys s ASP 24 N 1.35 4.10 0.53 5.86 2.15 -1.21 -4.96 116.67 124.49 2jys s ASP 24 Ca 0.44 -1.61 0.19 0.00 0.43 0.00 0.00 52.55 52.00 2jys s ASP 24 Cb -0.14 -1.11 1.35 0.00 -0.30 0.00 0.00 42.92 42.72 2jys s ASP 24 CO 0.09 -0.36 2.14 -1.28 -0.17 0.00 0.00 175.17 175.59 2jys h SER 25 N 7.95 0.00 -0.99 -0.34 0.87 -1.95 -1.53 113.55 117.56 2jys h SER 25 Ca -0.12 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2jys h SER 25 Cb 1.04 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.94 2jys h SER 25 CO 0.46 0.00 0.65 1.23 -0.53 0.00 0.00 176.83 178.64 2jys h GLY 26 N 0.00 1.46 -4.71 5.77 0.00 -1.94 -3.41 103.07 100.23 2jys h GLY 26 Ca 0.04 -0.49 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 2jys h GLY 26 CO -0.00 0.41 0.90 0.00 0.00 0.00 0.00 176.54 177.85 2jys s ALA 27 N -6.08 3.72 -1.33 3.60 0.00 -0.58 -4.87 121.76 116.23 2jys s ALA 27 Ca -0.13 1.28 0.24 0.00 0.00 0.00 0.00 51.96 53.35 2jys s ALA 27 Cb 0.19 -3.64 0.30 0.00 0.00 0.00 0.00 23.12 19.97 2jys s ALA 27 CO 0.81 -0.87 1.27 0.25 0.00 0.00 0.00 175.76 177.23 2jys n THR 28 N 4.23 0.00 -4.01 0.00 -2.24 -1.26 -4.20 114.28 106.79 2jys n THR 28 Ca 0.14 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 2jys n THR 28 Cb 0.40 0.62 -0.11 0.00 -2.10 0.00 0.00 70.33 69.14 2jys n THR 28 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2jys s ILE 29 N -2.81 0.22 0.32 2.28 1.10 -1.26 -4.79 121.20 116.27 2jys s ILE 29 Ca 0.14 -1.06 -0.29 0.00 -0.51 0.00 0.00 60.65 58.94 2jys s ILE 29 Cb 0.18 -0.49 -0.10 0.00 0.15 0.00 0.00 42.46 42.20 2jys s ILE 29 CO 0.68 -0.53 1.26 -0.89 -2.11 0.00 0.00 174.94 173.35 2jys s THR 30 N -1.74 2.89 -0.01 4.00 2.01 -1.25 -4.50 115.64 117.03 2jys s THR 30 Ca -0.12 0.90 0.04 0.00 0.31 0.00 0.00 61.69 62.82 2jys s THR 30 Cb -0.08 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 2jys s THR 30 CO -0.02 0.21 -0.13 0.00 -0.69 0.00 0.00 174.62 173.99 2jys s VAL 32 N -0.24 0.39 0.11 0.00 -7.23 0.12 0.04 120.40 113.59 2jys s VAL 32 Ca 0.04 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 2jys s VAL 32 Cb -0.06 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 2jys s VAL 32 CO -0.00 -0.27 1.00 -2.16 -0.31 0.00 0.00 175.10 173.36 2jys s PRO 33 N -4.02 4.66 0.61 4.82 0.04 -1.24 -0.50 135.00 139.36 2jys s PRO 33 Ca 0.30 1.51 0.25 0.00 0.04 0.00 0.00 61.00 63.11 2jys s PRO 33 Cb 0.07 -3.36 1.08 0.00 0.04 0.00 0.00 34.50 32.33 2jys s PRO 33 CO 0.07 0.15 1.52 1.49 0.04 0.00 0.00 177.00 180.27 2jys h GLU 34 N 5.63 0.00 -1.09 4.56 4.81 -1.82 0.16 114.58 126.83 2jys h GLU 34 Ca -0.43 0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.10 2jys h GLU 34 Cb 1.21 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.49 2jys h GLU 34 CO 0.73 0.00 0.70 0.00 -0.73 0.00 0.00 179.01 179.71 2jys h ALA 35 N 0.85 2.34 -0.00 2.92 0.00 -1.90 1.53 119.26 124.99 2jys h ALA 35 Ca 0.33 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2jys h ALA 35 Cb 2.12 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2jys h ALA 35 CO -0.00 -0.78 -0.46 1.19 0.00 0.00 0.00 179.25 179.19 2jys n PHE 36 N -4.63 0.00 0.50 0.00 3.72 0.55 -3.89 117.46 113.70 2jys n PHE 36 Ca 0.27 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.75 2jys n PHE 36 Cb 0.98 -0.14 -0.09 0.00 -0.94 0.00 0.00 39.48 39.29 2jys n PHE 36 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jys n LEU 37 N -0.99 0.50 0.17 4.37 4.32 0.42 -4.31 117.00 121.48 2jys n LEU 37 Ca 0.08 -0.36 0.17 0.00 -0.02 0.00 0.00 56.01 55.89 2jys n LEU 37 Cb 0.35 0.00 0.64 0.00 -1.62 0.00 0.00 43.42 42.80 2jys n LEU 37 CO 0.32 0.12 1.15 -0.08 -1.22 0.00 0.00 177.39 177.68 2jys h GLU 38 N 0.00 0.00 0.00 3.23 4.81 0.14 0.64 114.58 123.40 2jys h GLU 38 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jys h GLU 38 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2jys h GLU 38 CO 0.00 0.00 -0.03 -3.47 -0.73 0.00 0.00 179.01 174.78 2jys n ASP 39 N -3.19 1.88 -4.94 1.04 2.03 -1.26 -5.04 116.55 107.06 2jys n ASP 39 Ca 0.05 -2.37 -0.26 0.00 0.52 0.00 0.00 54.79 52.73 2jys n ASP 39 Cb 0.70 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 2jys n ASP 39 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jys s GLU 40 N -1.63 3.47 -0.15 -0.67 0.41 0.22 -5.10 118.70 115.26 2jys s GLU 40 Ca 0.13 -0.53 -0.02 0.00 -0.41 0.00 0.00 54.97 54.14 2jys s GLU 40 Cb 0.11 -2.90 -0.02 0.00 -1.78 0.00 0.00 34.13 29.54 2jys s GLU 40 CO 0.01 0.45 -0.08 1.03 -0.49 0.00 0.00 175.26 176.18 2jys s ARG 41 N -3.43 3.53 -0.09 1.61 1.81 -1.26 -4.98 118.95 116.13 2jys s ARG 41 Ca 0.36 -0.60 -0.30 0.00 -1.72 0.00 0.00 55.73 53.48 2jys s ARG 41 Cb -0.11 -2.80 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 2jys s ARG 41 CO 0.29 0.20 1.49 -1.25 -0.68 0.00 0.00 175.30 175.35 2jys s PRO 42 N 0.43 4.21 0.04 3.54 0.04 -1.26 -4.44 135.00 137.56 2jys s PRO 42 Ca -0.06 1.97 0.14 0.00 0.04 0.00 0.00 61.00 63.09 2jys s PRO 42 Cb -0.15 -3.88 -0.16 0.00 0.04 0.00 0.00 34.50 30.35 2jys s PRO 42 CO 0.04 -0.78 0.86 -0.84 0.04 0.00 0.00 177.00 176.32 2jys h ILE 43 N 5.51 0.79 -4.20 0.56 3.07 -1.83 -3.48 117.51 117.93 2jys h ILE 43 Ca -0.34 -2.44 -0.14 0.00 1.55 0.00 0.00 64.86 63.48 2jys h ILE 43 Cb 1.15 2.30 -0.14 0.00 -0.27 0.00 0.00 36.82 39.86 2jys h ILE 43 CO 0.96 0.45 -0.54 -1.58 -1.05 0.00 0.00 178.15 176.39 2jys s GLN 44 N -2.78 0.94 0.25 0.16 0.74 -1.23 -5.02 119.66 112.72 2jys s GLN 44 Ca -0.03 -1.30 0.10 0.00 0.05 0.00 0.00 55.36 54.19 2jys s GLN 44 Cb 0.08 0.28 -0.04 0.00 1.10 0.00 0.00 33.01 34.43 2jys s GLN 44 CO 0.81 -0.28 -0.09 0.95 -0.55 0.00 0.00 175.29 176.13 2jys s THR 45 N -3.99 3.08 -0.05 -0.34 -4.23 -1.26 0.25 115.64 109.10 2jys s THR 45 Ca 0.18 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.56 2jys s THR 45 Cb 0.06 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.31 2jys s THR 45 CO -0.01 -0.33 0.24 -0.32 -0.54 0.00 0.00 174.62 173.65 2jys s MET 46 N -3.46 0.45 -0.04 3.99 1.75 0.05 -4.71 119.30 117.33 2jys s MET 46 Ca 0.30 0.01 -0.26 0.00 -1.25 0.00 0.00 55.69 54.48 2jys s MET 46 Cb -0.06 0.20 -0.03 0.00 2.84 0.00 0.00 34.83 37.77 2jys s MET 46 CO 0.17 -0.10 0.83 -0.51 -0.65 0.00 0.00 175.02 174.76 2jys s LEU 47 N -0.66 4.33 -0.11 4.11 1.43 -1.26 -0.78 118.68 125.75 2jys s LEU 47 Ca -0.08 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 2jys s LEU 47 Cb -0.04 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 42.87 2jys s LEU 47 CO 0.02 -0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 175.61 2jys s ILE 48 N 0.96 2.77 -0.20 -0.59 -1.09 0.25 -4.85 121.20 118.45 2jys s ILE 48 Ca 0.44 -0.78 -0.08 0.00 -2.23 0.00 0.00 60.65 58.00 2jys s ILE 48 Cb -0.19 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 2jys s ILE 48 CO 0.22 0.54 0.07 -0.75 -1.23 0.00 0.00 174.94 173.79 2jys s LYS 49 N 0.16 3.92 0.45 2.79 2.20 -1.26 0.16 119.74 128.16 2jys s LYS 49 Ca -0.09 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 2jys s LYS 49 Cb -0.15 -3.26 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 2jys s LYS 49 CO 0.05 0.17 0.15 0.25 -0.36 0.00 0.00 175.35 175.61 2jys n THR 50 N 3.86 0.00 -0.01 3.43 -2.24 0.21 -4.90 114.28 114.63 2jys n THR 50 Ca -0.16 -1.99 -0.13 0.00 -2.27 0.00 0.00 64.05 59.50 2jys n THR 50 Cb 0.52 0.20 -0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2jys n THR 50 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jys h ILE 51 N 0.98 1.39 -0.84 2.28 2.04 -2.02 -3.19 117.51 118.15 2jys h ILE 51 Ca -0.34 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.35 2jys h ILE 51 Cb 1.10 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 39.34 2jys h ILE 51 CO 0.55 0.32 0.51 -0.74 0.00 0.00 0.00 178.15 178.78 2jys h HIS 52 N -0.56 0.93 -0.12 1.37 2.76 -2.03 -3.47 115.15 114.03 2jys h HIS 52 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2jys h HIS 52 Cb 0.54 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2jys h HIS 52 CO 0.11 0.44 0.00 0.41 -1.30 0.00 0.00 177.93 177.59 2jys n GLY 53 N -1.32 1.03 3.58 5.26 0.00 -1.21 -5.14 105.19 107.39 2jys n GLY 53 Ca 0.13 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2jys n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jys s GLU 54 N 1.09 3.86 -0.03 1.61 2.12 -1.26 0.66 118.70 126.76 2jys s GLU 54 Ca 0.00 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2jys s GLU 54 Cb 0.00 -3.14 -0.00 0.00 0.26 0.00 0.00 34.13 31.25 2jys s GLU 54 CO 0.00 0.23 -0.13 0.21 -0.54 0.00 0.00 175.26 175.02 2jys s LYS 55 N 0.47 1.32 -0.15 4.30 2.20 0.41 -4.90 119.74 123.40 2jys s LYS 55 Ca 0.01 -0.46 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 2jys s LYS 55 Cb -0.13 -1.20 -0.04 0.00 -1.51 0.00 0.00 37.83 34.95 2jys s LYS 55 CO 0.01 0.20 0.37 -1.14 -0.36 0.00 0.00 175.35 174.44 2jys s GLN 56 N 0.02 4.29 0.26 4.03 0.74 -1.26 0.87 119.66 128.61 2jys s GLN 56 Ca -0.02 0.24 0.10 0.00 0.05 0.00 0.00 55.36 55.74 2jys s GLN 56 Cb -0.09 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 2jys s GLN 56 CO 0.01 0.19 -0.09 -0.65 -0.55 0.00 0.00 175.29 174.20 2jys s GLN 57 N 0.57 2.02 0.16 1.67 -0.21 0.04 -4.83 119.66 119.08 2jys s GLN 57 Ca 0.20 -1.54 -0.21 0.00 0.02 0.00 0.00 55.36 53.83 2jys s GLN 57 Cb -0.14 -2.00 -0.08 0.00 1.00 0.00 0.00 33.01 31.79 2jys s GLN 57 CO 0.06 0.36 0.69 -0.51 -2.12 0.00 0.00 175.29 173.77 2jys s ASP 58 N -3.51 7.13 0.28 5.90 1.01 -1.26 -0.77 116.67 125.45 2jys s ASP 58 Ca 0.30 1.41 -0.11 0.00 0.71 0.00 0.00 52.55 54.87 2jys s ASP 58 Cb -0.06 -2.41 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 2jys s ASP 58 CO 0.17 0.14 0.63 -0.69 0.21 0.00 0.00 175.17 175.64 2jys s VAL 59 N -1.32 4.86 -0.02 -1.27 1.01 0.71 -4.59 120.40 119.78 2jys s VAL 59 Ca 0.37 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.95 2jys s VAL 59 Cb -0.19 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jys s VAL 59 CO 0.22 -0.19 -0.09 -0.31 0.00 0.00 0.00 175.10 174.73 2jys s TYR 60 N -1.96 0.91 -0.41 5.22 1.51 -0.75 -2.35 117.35 119.52 2jys s TYR 60 Ca 0.49 -0.20 -0.16 0.00 -1.01 0.00 0.00 57.07 56.19 2jys s TYR 60 Cb -0.11 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 2jys s TYR 60 CO 0.22 -0.07 0.37 -0.47 -1.11 0.00 0.00 175.55 174.50 2jys s TYR 61 N 0.02 3.20 0.19 2.71 5.04 -1.26 0.17 117.35 127.42 2jys s TYR 61 Ca -0.00 -0.46 0.09 0.00 -2.44 0.00 0.00 57.07 54.26 2jys s TYR 61 Cb -0.07 -2.75 -0.04 0.00 0.35 0.00 0.00 41.96 39.45 2jys s TYR 61 CO 0.00 -0.65 -0.19 -0.51 -1.34 0.00 0.00 175.55 172.87 2jys s LEU 62 N 1.93 2.47 -0.18 6.97 2.01 -0.59 -4.94 118.68 126.37 2jys s LEU 62 Ca 0.09 -0.91 -0.03 0.00 0.01 0.00 0.00 54.13 53.29 2jys s LEU 62 Cb -0.18 -0.88 -0.02 0.00 0.01 0.00 0.00 46.19 45.12 2jys s LEU 62 CO 0.12 -0.03 -0.05 -0.89 1.01 0.00 0.00 176.35 176.51 2jys s THR 63 N -2.19 3.56 0.03 5.49 2.01 -1.26 -1.82 115.64 121.45 2jys s THR 63 Ca 0.19 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2jys s THR 63 Cb -0.05 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 2jys s THR 63 CO 0.08 0.47 0.02 0.72 -0.69 0.00 0.00 174.62 175.22 2jys s PHE 64 N 0.80 0.28 -0.08 4.92 -0.71 -0.09 -3.72 117.98 119.38 2jys s PHE 64 Ca -0.02 -0.60 -0.26 0.00 -1.04 0.00 0.00 56.93 55.01 2jys s PHE 64 Cb -0.15 -0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.43 2jys s PHE 64 CO 0.02 -0.29 0.83 0.15 -1.34 0.00 0.00 175.22 174.59 2jys s LYS 65 N -2.28 4.43 -0.51 1.99 -0.14 0.17 -1.42 119.74 121.98 2jys s LYS 65 Ca -0.08 1.09 -0.10 0.00 -1.36 0.00 0.00 55.97 55.52 2jys s LYS 65 Cb -0.04 -3.49 0.13 0.00 -1.68 0.00 0.00 37.83 32.75 2jys s LYS 65 CO -0.04 -0.10 0.40 0.08 -0.76 0.00 0.00 175.35 174.93 2jys s VAL 66 N 1.30 4.41 -1.16 3.17 1.01 0.40 -1.07 120.40 128.46 2jys s VAL 66 Ca 0.42 -1.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 2jys s VAL 66 Cb -0.18 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2jys s VAL 66 CO 0.19 -0.81 0.59 0.00 0.00 0.00 0.00 175.10 175.07 2jys n GLN 67 N 4.84 -4.44 -1.65 2.72 6.02 -0.94 -2.51 117.38 121.41 2jys n GLN 67 Ca -0.07 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 2jys n GLN 67 Cb 0.41 -5.13 0.00 0.00 1.02 0.00 0.00 30.24 26.54 2jys n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jys n GLY 68 N -1.44 0.66 2.80 1.08 0.00 -1.26 -5.06 105.19 101.97 2jys n GLY 68 Ca -0.06 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 2jys n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jys s ARG 69 N -3.47 0.45 0.10 1.61 0.52 -1.04 -5.11 118.95 112.00 2jys s ARG 69 Ca 0.00 0.09 -0.31 0.00 -0.52 0.00 0.00 55.73 54.99 2jys s ARG 69 Cb 0.00 -0.71 -0.08 0.00 0.52 0.00 0.00 34.95 34.67 2jys s ARG 69 CO 0.00 -0.21 1.48 0.21 0.02 0.00 0.00 175.30 176.81 2jys s LYS 70 N 1.47 4.27 -0.15 3.54 2.20 -1.26 0.15 119.74 129.96 2jys s LYS 70 Ca -0.03 2.18 -0.08 0.00 -0.36 0.00 0.00 55.97 57.68 2jys s LYS 70 Cb -0.13 -3.33 0.06 0.00 -1.51 0.00 0.00 37.83 32.92 2jys s LYS 70 CO -0.03 -0.55 0.36 0.08 -0.36 0.00 0.00 175.35 174.85 2jys s VAL 71 N 1.58 -0.13 -0.07 4.02 1.01 -0.51 -4.86 120.40 121.44 2jys s VAL 71 Ca 0.68 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.83 2jys s VAL 71 Cb -0.38 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2jys s VAL 71 CO 0.30 0.05 -0.22 -0.70 0.00 0.00 0.00 175.10 174.54 2jys s GLU 72 N 1.57 2.72 0.34 2.72 2.12 -1.26 -0.91 118.70 126.00 2jys s GLU 72 Ca -0.08 -0.84 -0.18 0.00 0.36 0.00 0.00 54.97 54.23 2jys s GLU 72 Cb -0.10 -2.28 0.04 0.00 0.26 0.00 0.00 34.13 32.06 2jys s GLU 72 CO -0.11 0.37 0.76 0.00 -0.54 0.00 0.00 175.26 175.74 2jys s ALA 73 N -0.11 -0.94 0.23 6.30 0.00 -0.76 -4.98 121.76 121.51 2jys s ALA 73 Ca -0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 2jys s ALA 73 Cb -0.14 0.75 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 2jys s ALA 73 CO 0.04 -1.01 0.95 -1.21 0.00 0.00 0.00 175.76 174.53 2jys s GLU 74 N -2.96 4.84 0.07 0.00 2.02 -1.26 -1.54 118.70 119.87 2jys s GLU 74 Ca 0.14 1.50 0.03 0.00 0.02 0.00 0.00 54.97 56.66 2jys s GLU 74 Cb -0.05 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 2jys s GLU 74 CO 0.10 0.48 -0.10 0.14 0.02 0.00 0.00 175.26 175.90 2jys s VAL 75 N -1.10 0.80 -0.01 2.63 -7.23 0.45 -3.93 120.40 112.02 2jys s VAL 75 Ca 0.42 -1.33 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2jys s VAL 75 Cb -0.26 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 2jys s VAL 75 CO 0.32 -0.41 0.12 -0.76 -0.31 0.00 0.00 175.10 174.07 2jys s LEU 76 N -1.92 4.09 0.19 1.32 1.02 -0.85 -1.80 118.68 120.73 2jys s LEU 76 Ca -0.03 0.23 -0.30 0.00 0.02 0.00 0.00 54.13 54.05 2jys s LEU 76 Cb -0.07 -2.41 -0.08 0.00 0.02 0.00 0.00 46.19 43.65 2jys s LEU 76 CO 0.01 0.27 0.95 0.00 0.02 0.00 0.00 176.35 177.59 2jys s ALA 77 N -1.25 3.30 0.01 4.21 0.00 -1.25 -0.70 121.76 126.08 2jys s ALA 77 Ca 0.25 0.60 -0.06 0.00 0.00 0.00 0.00 51.96 52.75 2jys s ALA 77 Cb -0.12 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 2jys s ALA 77 CO 0.16 0.12 0.11 0.45 0.00 0.00 0.00 175.76 176.60 2jys s SER 78 N -0.73 0.08 0.00 0.00 0.15 0.34 -4.79 113.70 108.76 2jys s SER 78 Ca 0.43 -0.32 0.14 0.00 0.70 0.00 0.00 55.95 56.91 2jys s SER 78 Cb -0.25 0.20 0.84 0.00 -1.71 0.00 0.00 66.02 65.10 2jys s SER 78 CO 0.31 -0.40 1.29 -0.81 1.20 0.00 0.00 173.24 174.83 2jys n PRO 79 N 1.29 0.59 -0.76 5.44 -0.04 -1.26 -2.67 135.00 137.59 2jys n PRO 79 Ca -0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.95 2jys n PRO 79 Cb 0.56 -1.37 0.21 0.00 -0.04 0.00 0.00 33.50 32.86 2jys n PRO 79 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2jys s TYR 80 N -2.00 1.65 -0.38 0.54 2.02 -1.26 -4.94 117.35 112.98 2jys s TYR 80 Ca 0.21 1.27 0.15 0.00 -0.37 0.00 0.00 57.07 58.33 2jys s TYR 80 Cb 0.10 -3.17 0.52 0.00 -0.40 0.00 0.00 41.96 39.00 2jys s TYR 80 CO 0.16 -3.34 1.42 -0.25 -1.57 0.00 0.00 175.55 171.97 2jys n ASP 81 N -4.55 3.87 0.00 2.29 8.00 -1.26 -4.66 116.55 120.24 2jys n ASP 81 Ca 0.05 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.77 2jys n ASP 81 Cb 0.54 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2jys n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jys n TYR 82 N -0.15 0.00 -4.40 1.24 4.11 -1.26 -4.99 117.16 111.72 2jys n TYR 82 Ca 0.20 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.89 2jys n TYR 82 Cb 0.82 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 40.03 2jys n TYR 82 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 2jys s ILE 83 N -0.50 1.23 -0.11 -3.48 1.01 -1.13 -3.73 121.20 114.49 2jys s ILE 83 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 2jys s ILE 83 Cb 0.00 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 2jys s ILE 83 CO 0.00 0.03 -0.07 -0.76 0.00 0.00 0.00 174.94 174.14 2jys s LEU 84 N -1.18 3.10 -0.05 2.97 1.02 0.11 -0.34 118.68 124.31 2jys s LEU 84 Ca 0.03 -0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 2jys s LEU 84 Cb -0.08 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 2jys s LEU 84 CO 0.01 0.27 0.04 -0.76 0.02 0.00 0.00 176.35 175.93 2jys s LEU 85 N -0.23 3.74 -0.16 1.79 2.01 -0.99 -2.30 118.68 122.54 2jys s LEU 85 Ca 0.03 0.15 -0.08 0.00 0.01 0.00 0.00 54.13 54.23 2jys s LEU 85 Cb -0.13 -2.01 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 2jys s LEU 85 CO 0.03 0.33 0.13 0.21 1.01 0.00 0.00 176.35 178.06 2jys s ASN 86 N -1.28 6.28 0.57 2.29 2.47 -1.26 -3.34 114.94 120.67 2jys s ASN 86 Ca 0.17 0.34 0.33 0.00 0.42 0.00 0.00 52.86 54.13 2jys s ASN 86 Cb -0.12 -2.07 1.74 0.00 -1.45 0.00 0.00 41.25 39.35 2jys s ASN 86 CO 0.07 0.29 2.16 1.55 -3.72 0.00 0.00 177.10 177.46 2jys h PRO 87 N 5.85 0.00 0.01 0.43 0.13 -1.79 -2.10 132.00 134.54 2jys h PRO 87 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 2jys h PRO 87 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2jys h PRO 87 CO 0.67 0.05 -0.90 0.77 -0.23 0.00 0.00 178.00 178.36 2jys h SER 88 N 0.00 0.15 0.57 1.44 0.02 -1.87 -3.14 113.55 110.73 2jys h SER 88 Ca -0.00 -0.13 -0.28 0.00 -0.84 0.00 0.00 61.79 60.54 2jys h SER 88 Cb 0.24 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.74 2jys h SER 88 CO 0.01 0.97 -1.30 -2.24 -1.14 0.00 0.00 176.83 173.13 2jys h ASP 89 N 0.05 0.48 -2.46 3.07 3.04 -1.76 -3.36 116.42 115.47 2jys h ASP 89 Ca -0.03 -0.52 -0.68 0.00 -3.24 0.00 0.00 57.03 52.55 2jys h ASP 89 Cb 1.56 -0.15 -0.36 0.00 -1.04 0.00 0.00 39.33 39.33 2jys h ASP 89 CO 0.13 1.41 -0.04 1.33 -2.04 0.00 0.00 179.24 180.03 2jys n VAL 90 N -3.55 3.61 0.26 4.15 0.24 -0.85 -4.83 118.33 117.36 2jys n VAL 90 Ca -0.10 -5.53 0.14 0.00 -2.04 0.00 0.00 64.34 56.81 2jys n VAL 90 Cb 1.04 -2.04 0.62 0.00 -1.47 0.00 0.00 33.84 31.98 2jys n VAL 90 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jys h PRO 91 N 4.58 0.00 0.00 7.34 0.13 -1.71 -2.84 132.00 139.51 2jys h PRO 91 Ca 0.21 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.22 2jys h PRO 91 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 2jys h PRO 91 CO 1.03 0.10 -0.56 0.11 -0.23 0.00 0.00 178.00 178.45 2jys h TRP 92 N 0.00 0.00 -0.37 1.56 0.09 -1.89 -3.01 115.95 112.33 2jys h TRP 92 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 58.89 2jys h TRP 92 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.79 2jys h TRP 92 CO 0.00 0.56 -0.16 1.25 0.09 0.00 0.00 178.44 180.19 2jys h LEU 93 N 0.00 0.66 -1.09 0.11 5.85 -1.89 -2.60 115.31 116.36 2jys h LEU 93 Ca -0.01 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 2jys h LEU 93 Cb 1.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2jys h LEU 93 CO 0.07 0.84 -0.26 0.24 -0.34 0.00 0.00 178.44 178.99 2jys h MET 94 N 0.60 0.33 -5.96 1.25 2.86 -1.63 -3.42 114.93 108.96 2jys h MET 94 Ca 0.10 -0.12 -0.62 0.00 -2.06 0.00 0.00 59.70 57.01 2jys h MET 94 Cb 0.61 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 2jys h MET 94 CO 0.04 0.57 -0.27 0.15 1.06 0.00 0.00 176.91 178.46 2jys s LYS 95 N -4.46 3.79 -0.62 1.72 1.02 -0.98 -5.04 119.74 115.17 2jys s LYS 95 Ca -0.06 0.25 0.05 0.00 0.02 0.00 0.00 55.97 56.24 2jys s LYS 95 Cb 0.14 -3.17 0.17 0.00 -0.52 0.00 0.00 37.83 34.46 2jys s LYS 95 CO 0.77 0.68 0.46 1.17 -0.92 0.00 0.00 175.35 177.51 2jys n LYS 96 N 1.65 1.40 -2.27 1.68 3.00 -1.26 -4.87 118.16 117.48 2jys n LYS 96 Ca -0.14 -4.12 -0.39 0.00 -0.00 0.00 0.00 58.31 53.67 2jys n LYS 96 Cb 0.53 -2.10 -0.02 0.00 0.00 0.00 0.00 35.03 33.44 2jys n LYS 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jys s PRO 97 N -1.09 4.08 0.00 1.64 0.04 -1.26 -5.24 135.00 133.17 2jys s PRO 97 Ca 0.28 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2jys s PRO 97 Cb -0.01 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2jys s PRO 97 CO -0.17 -0.31 0.31 -0.11 0.04 0.00 0.00 177.00 176.76