#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 3.13 0.62 -1.09 0.04 -1.26 -4.96 135.00 131.48 2jys s PRO 9 Ca 0.00 1.52 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 2jys s PRO 9 Cb 0.00 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2jys s PRO 9 CO 0.00 -1.01 0.96 -0.51 0.04 0.00 0.00 177.00 176.48 2jys s LEU 10 N -4.23 3.15 0.02 -3.56 1.02 0.31 -4.77 118.68 110.61 2jys s LEU 10 Ca 0.70 0.85 -0.01 0.00 0.02 0.00 0.00 54.13 55.70 2jys s LEU 10 Cb -0.22 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 2jys s LEU 10 CO 0.33 -1.13 0.15 -1.61 0.02 0.00 0.00 176.35 174.11 2jys s GLU 11 N -5.09 3.27 -0.08 1.70 2.02 -1.26 0.11 118.70 119.37 2jys s GLU 11 Ca 0.55 -0.43 -0.18 0.00 0.02 0.00 0.00 54.97 54.93 2jys s GLU 11 Cb -0.11 -2.98 0.04 0.00 0.10 0.00 0.00 34.13 31.18 2jys s GLU 11 CO 0.47 0.64 0.42 0.00 0.02 0.00 0.00 175.26 176.81 2jys s ALA 12 N -1.34 -1.06 -0.17 5.21 0.00 -0.74 -2.71 121.76 120.96 2jys s ALA 12 Ca 0.28 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.07 2jys s ALA 12 Cb -0.12 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2jys s ALA 12 CO 0.20 -0.26 -0.14 -1.21 0.00 0.00 0.00 175.76 174.35 2jys s GLU 13 N -0.73 2.33 -0.13 0.00 2.02 -0.07 -1.04 118.70 121.07 2jys s GLU 13 Ca -0.08 -0.67 -0.00 0.00 0.02 0.00 0.00 54.97 54.24 2jys s GLU 13 Cb -0.04 -2.25 -0.01 0.00 0.10 0.00 0.00 34.13 31.93 2jys s GLU 13 CO 0.04 -0.28 -0.13 0.42 0.02 0.00 0.00 175.26 175.33 2jys s ILE 14 N 1.44 3.04 -1.53 -1.63 1.01 0.50 -0.56 121.20 123.47 2jys s ILE 14 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2jys s ILE 14 Cb -0.14 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.06 2jys s ILE 14 CO -0.10 0.52 0.00 0.29 0.00 0.00 0.00 174.94 175.65 2jys n LYS 15 N 3.56 -1.50 -0.05 2.79 5.02 -1.26 0.11 118.16 126.83 2jys n LYS 15 Ca -0.18 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 2jys n LYS 15 Cb 0.53 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 2jys n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jys n GLY 16 N -0.42 1.00 3.70 0.72 0.00 -1.26 -5.03 105.19 103.90 2jys n GLY 16 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.40 4.91 -0.22 2.61 2.01 0.31 -5.02 115.64 117.83 2jys s THR 17 Ca 0.00 1.81 -0.18 0.00 0.31 0.00 0.00 61.69 63.64 2jys s THR 17 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2jys s THR 17 CO 0.00 0.15 0.49 -0.75 -0.69 0.00 0.00 174.62 173.82 2jys s LYS 18 N 1.25 4.14 0.17 4.92 2.20 -1.26 -0.37 119.74 130.80 2jys s LYS 18 Ca 0.45 0.34 -0.02 0.00 -0.36 0.00 0.00 55.97 56.38 2jys s LYS 18 Cb -0.19 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2jys s LYS 18 CO 0.21 -0.20 0.13 -0.51 -0.36 0.00 0.00 175.35 174.61 2jys s LEU 19 N 1.83 1.33 0.39 5.43 1.43 -0.21 -5.01 118.68 123.87 2jys s LEU 19 Ca 0.22 -1.28 -0.08 0.00 -1.03 0.00 0.00 54.13 51.96 2jys s LEU 19 Cb -0.15 0.45 -0.06 0.00 0.03 0.00 0.00 46.19 46.46 2jys s LEU 19 CO 0.09 -0.82 0.73 -0.54 0.23 0.00 0.00 176.35 176.04 2jys s LYS 20 N -4.10 3.71 0.17 1.70 1.02 -1.26 -1.79 119.74 119.18 2jys s LYS 20 Ca 0.32 0.33 -0.01 0.00 0.02 0.00 0.00 55.97 56.63 2jys s LYS 20 Cb 0.07 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 2jys s LYS 20 CO 0.08 -0.01 0.09 0.00 -0.92 0.00 0.00 175.35 174.59 2jys s ALA 21 N -2.36 1.04 -0.04 5.17 0.00 0.30 -3.32 121.76 122.54 2jys s ALA 21 Ca 0.49 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2jys s ALA 21 Cb -0.10 1.13 0.01 0.00 0.00 0.00 0.00 23.12 24.15 2jys s ALA 21 CO 0.33 -0.54 -0.10 -1.01 0.00 0.00 0.00 175.76 174.45 2jys s HIS 22 N -4.10 1.14 -0.19 0.00 3.76 -0.09 0.11 115.29 115.93 2jys s HIS 22 Ca 0.32 -0.35 -0.24 0.00 -0.15 0.00 0.00 55.06 54.64 2jys s HIS 22 Cb 0.07 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.90 2jys s HIS 22 CO 0.07 -0.18 0.78 -0.46 -0.85 0.00 0.00 174.74 174.09 2jys s TRP 23 N 0.49 3.39 -0.32 1.40 -0.00 -1.26 -1.74 118.94 120.90 2jys s TRP 23 Ca -0.09 1.15 0.00 0.00 -0.00 0.00 0.00 56.10 57.16 2jys s TRP 23 Cb -0.13 -2.96 0.10 0.00 -0.00 0.00 0.00 33.47 30.48 2jys s TRP 23 CO 0.02 -0.25 0.10 0.34 -0.00 0.00 0.00 176.95 177.16 2jys s ASP 24 N 1.20 4.11 0.57 5.86 2.15 -1.20 -4.95 116.67 124.41 2jys s ASP 24 Ca 0.35 -1.78 0.27 0.00 0.43 0.00 0.00 52.55 51.82 2jys s ASP 24 Cb -0.16 -0.98 1.59 0.00 -0.30 0.00 0.00 42.92 43.06 2jys s ASP 24 CO 0.11 -0.40 2.11 0.77 -0.17 0.00 0.00 175.17 177.58 2jys h SER 25 N 7.93 0.00 -0.55 -0.34 4.64 -1.95 -0.12 113.55 123.16 2jys h SER 25 Ca -0.11 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2jys h SER 25 Cb 1.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 2jys h SER 25 CO 0.48 0.00 0.31 1.23 -0.87 0.00 0.00 176.83 177.98 2jys h GLY 26 N 0.00 0.85 -4.01 -0.77 0.00 -1.95 -3.42 103.07 93.77 2jys h GLY 26 Ca 0.09 -0.37 -0.52 0.00 0.00 0.00 0.00 47.33 46.54 2jys h GLY 26 CO -0.00 0.35 0.55 0.00 0.00 0.00 0.00 176.54 177.44 2jys s ALA 27 N -5.53 3.44 -0.96 3.60 0.00 -0.06 -4.92 121.76 117.34 2jys s ALA 27 Ca -0.10 0.99 0.21 0.00 0.00 0.00 0.00 51.96 53.07 2jys s ALA 27 Cb 0.17 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.72 2jys s ALA 27 CO 0.77 -0.35 0.93 2.41 0.00 0.00 0.00 175.76 179.52 2jys n THR 28 N 1.83 0.00 -4.02 0.00 -1.04 -1.26 -4.15 114.28 105.63 2jys n THR 28 Ca 0.02 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2jys n THR 28 Cb 0.44 0.89 -0.11 0.00 -1.82 0.00 0.00 70.33 69.73 2jys n THR 28 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2jys s ILE 29 N -3.02 0.21 0.69 12.58 2.07 -1.26 -4.76 121.20 127.71 2jys s ILE 29 Ca 0.08 -1.18 -0.16 0.00 -1.41 0.00 0.00 60.65 57.97 2jys s ILE 29 Cb 0.16 -0.65 0.02 0.00 0.13 0.00 0.00 42.46 42.11 2jys s ILE 29 CO 0.86 -0.62 1.25 -0.89 -1.91 0.00 0.00 174.94 173.63 2jys s THR 30 N -2.12 2.15 -0.19 4.00 2.01 -1.20 -4.46 115.64 115.84 2jys s THR 30 Ca -0.09 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.99 2jys s THR 30 Cb -0.05 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.66 2jys s THR 30 CO -0.03 -0.03 -0.06 0.00 -0.69 0.00 0.00 174.62 173.81 2jys s VAL 32 N 1.56 3.24 0.06 0.00 1.01 0.82 -0.40 120.40 126.69 2jys s VAL 32 Ca -0.01 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 2jys s VAL 32 Cb -0.16 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2jys s VAL 32 CO -0.07 0.26 1.09 -2.16 0.00 0.00 0.00 175.10 174.21 2jys s PRO 33 N -1.75 4.52 0.58 2.72 0.04 -1.25 -1.09 135.00 138.77 2jys s PRO 33 Ca 0.18 1.62 0.38 0.00 0.04 0.00 0.00 61.00 63.22 2jys s PRO 33 Cb -0.11 -3.38 1.32 0.00 0.04 0.00 0.00 34.50 32.37 2jys s PRO 33 CO 0.09 -0.10 1.45 1.49 0.04 0.00 0.00 177.00 179.97 2jys h GLU 34 N 6.45 0.00 -0.84 4.56 4.81 -1.81 0.57 114.58 128.32 2jys h GLU 34 Ca -0.42 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.05 2jys h GLU 34 Cb 1.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2jys h GLU 34 CO 0.77 0.00 0.73 0.00 -0.73 0.00 0.00 179.01 179.78 2jys h ALA 35 N 0.79 2.70 -0.02 2.92 0.00 -1.90 1.17 119.26 124.92 2jys h ALA 35 Ca 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.57 2jys h ALA 35 Cb 3.24 0.06 0.00 0.00 0.00 0.00 0.00 17.79 21.10 2jys h ALA 35 CO -0.01 -1.16 -0.28 1.19 0.00 0.00 0.00 179.25 178.99 2jys n PHE 36 N -3.88 0.00 -0.56 0.00 3.01 0.20 -4.22 117.46 112.00 2jys n PHE 36 Ca 0.18 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.70 2jys n PHE 36 Cb 1.02 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.63 2jys n PHE 36 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2jys n LEU 37 N 0.41 2.82 0.30 4.37 4.77 0.39 -4.61 117.00 125.45 2jys n LEU 37 Ca 0.10 -2.53 0.16 0.00 -0.03 0.00 0.00 56.01 53.71 2jys n LEU 37 Cb 0.47 -0.31 0.92 0.00 -2.33 0.00 0.00 43.42 42.17 2jys n LEU 37 CO 0.21 0.65 1.10 -0.33 -1.33 0.00 0.00 177.39 177.69 2jys h GLU 38 N 1.00 0.00 0.00 3.23 4.39 -1.27 -2.17 114.58 119.76 2jys h GLU 38 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2jys h GLU 38 Cb 0.93 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.46 2jys h GLU 38 CO 0.06 0.03 -0.58 -0.25 -1.16 0.00 0.00 179.01 177.11 2jys n ASP 39 N -3.65 1.40 -4.92 1.42 8.00 -1.26 -5.06 116.55 112.47 2jys n ASP 39 Ca -0.03 -2.97 -0.20 0.00 0.71 0.00 0.00 54.79 52.30 2jys n ASP 39 Cb 0.12 -0.40 0.06 0.00 -0.02 0.00 0.00 41.12 40.88 2jys n ASP 39 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jys s GLU 40 N -1.81 2.31 -0.05 -1.24 0.41 -0.82 -5.11 118.70 112.38 2jys s GLU 40 Ca 0.31 -1.20 0.01 0.00 -0.41 0.00 0.00 54.97 53.68 2jys s GLU 40 Cb 0.32 -2.55 0.02 0.00 -1.78 0.00 0.00 34.13 30.14 2jys s GLU 40 CO -0.07 -0.86 -0.06 1.03 -0.49 0.00 0.00 175.26 174.81 2jys s ARG 41 N -4.75 1.03 -0.10 1.61 3.00 -1.26 -5.06 118.95 113.42 2jys s ARG 41 Ca 0.60 -0.17 -0.30 0.00 0.00 0.00 0.00 55.73 55.87 2jys s ARG 41 Cb -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 34.95 33.84 2jys s ARG 41 CO 0.39 -0.08 1.38 -1.25 0.00 0.00 0.00 175.30 175.75 2jys s PRO 42 N 0.94 4.24 0.05 3.54 0.04 -1.26 -4.34 135.00 138.21 2jys s PRO 42 Ca -0.10 1.86 0.10 0.00 0.04 0.00 0.00 61.00 62.89 2jys s PRO 42 Cb -0.14 -3.77 -0.21 0.00 0.04 0.00 0.00 34.50 30.42 2jys s PRO 42 CO 0.00 -0.70 0.99 -0.84 0.04 0.00 0.00 177.00 176.50 2jys h ILE 43 N 5.36 1.26 -4.12 0.56 3.07 -1.78 -3.48 117.51 118.38 2jys h ILE 43 Ca -0.33 -3.01 -0.13 0.00 1.55 0.00 0.00 64.86 62.94 2jys h ILE 43 Cb 1.14 2.61 -0.14 0.00 -0.27 0.00 0.00 36.82 40.17 2jys h ILE 43 CO 0.95 0.72 -0.50 -1.58 -1.05 0.00 0.00 178.15 176.68 2jys s GLN 44 N -2.67 0.95 0.10 0.16 0.74 -1.23 -5.02 119.66 112.69 2jys s GLN 44 Ca -0.02 -1.25 0.09 0.00 0.05 0.00 0.00 55.36 54.24 2jys s GLN 44 Cb 0.09 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.46 2jys s GLN 44 CO 0.82 -0.30 -0.23 0.95 -0.55 0.00 0.00 175.29 175.98 2jys s THR 45 N -3.98 1.93 -0.01 -0.34 -4.23 -1.26 0.21 115.64 107.96 2jys s THR 45 Ca 0.17 -1.57 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 2jys s THR 45 Cb 0.06 -1.72 -0.00 0.00 1.34 0.00 0.00 72.50 72.18 2jys s THR 45 CO -0.02 0.05 0.06 -0.04 -0.54 0.00 0.00 174.62 174.12 2jys s MET 46 N -1.84 0.21 -0.11 3.99 -1.94 -0.58 -4.81 119.30 114.23 2jys s MET 46 Ca 0.09 -0.17 -0.17 0.00 -1.71 0.00 0.00 55.69 53.74 2jys s MET 46 Cb -0.10 0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.78 2jys s MET 46 CO 0.04 -0.04 0.42 -1.17 -0.01 0.00 0.00 175.02 174.27 2jys s LEU 47 N -0.58 4.30 -0.11 -0.03 0.20 -1.26 -1.93 118.68 119.27 2jys s LEU 47 Ca -0.07 0.76 0.03 0.00 0.69 0.00 0.00 54.13 55.55 2jys s LEU 47 Cb -0.04 -2.60 -0.00 0.00 -0.43 0.00 0.00 46.19 43.12 2jys s LEU 47 CO 0.00 0.08 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.29 2jys s ILE 48 N 0.30 2.19 -0.12 6.68 1.01 0.70 -4.94 121.20 127.01 2jys s ILE 48 Ca 0.23 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.89 2jys s ILE 48 Cb -0.15 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2jys s ILE 48 CO 0.09 0.55 -0.02 -0.54 0.00 0.00 0.00 174.94 175.02 2jys s LYS 49 N 0.42 3.33 0.00 2.79 1.02 -1.26 0.29 119.74 126.32 2jys s LYS 49 Ca -0.16 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2jys s LYS 49 Cb -0.17 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 2jys s LYS 49 CO 0.07 0.46 0.00 0.25 -0.92 0.00 0.00 175.35 175.21 2jys n THR 50 N 2.88 0.00 -0.00 2.17 -2.24 0.54 -4.94 114.28 112.69 2jys n THR 50 Ca -0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 2jys n THR 50 Cb 0.53 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.87 1.64 -0.91 2.28 1.08 -2.03 -3.30 117.51 117.14 2jys h ILE 51 Ca 0.00 -2.45 0.05 0.00 -0.39 0.00 0.00 64.86 62.07 2jys h ILE 51 Cb 0.00 3.29 -0.06 0.00 -3.07 0.00 0.00 36.82 36.98 2jys h ILE 51 CO 0.00 0.67 0.60 0.45 -0.69 0.00 0.00 178.15 179.18 2jys h HIS 52 N -0.66 1.08 0.00 1.37 3.86 -2.04 -3.47 115.15 115.30 2jys h HIS 52 Ca -0.08 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2jys h HIS 52 Cb 1.35 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2jys h HIS 52 CO 0.23 0.59 0.00 0.41 0.86 0.00 0.00 177.93 180.03 2jys n GLY 53 N -1.39 -1.21 3.70 2.45 0.00 -1.24 -5.14 105.19 102.35 2jys n GLY 53 Ca 0.13 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 2jys n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jys s GLU 54 N -0.16 3.35 -0.02 1.61 8.01 -1.26 -0.34 118.70 129.89 2jys s GLU 54 Ca 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 54.97 54.64 2jys s GLU 54 Cb 0.00 -2.98 0.01 0.00 -4.31 0.00 0.00 34.13 26.86 2jys s GLU 54 CO 0.00 0.59 -0.02 0.15 0.01 0.00 0.00 175.26 175.99 2jys s LYS 55 N -0.54 0.35 -0.18 1.61 1.02 0.15 -4.93 119.74 117.21 2jys s LYS 55 Ca 0.10 -0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.01 2jys s LYS 55 Cb -0.12 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 36.73 2jys s LYS 55 CO 0.02 -0.04 0.01 -1.14 -0.92 0.00 0.00 175.35 173.28 2jys s GLN 56 N 0.55 3.74 0.25 1.68 0.74 -1.26 -0.22 119.66 125.14 2jys s GLN 56 Ca -0.06 -0.47 0.09 0.00 0.05 0.00 0.00 55.36 54.98 2jys s GLN 56 Cb -0.09 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.90 2jys s GLN 56 CO -0.01 0.16 -0.15 -0.65 -0.55 0.00 0.00 175.29 174.09 2jys s GLN 57 N 0.61 1.50 0.08 1.67 -0.21 -0.81 -4.91 119.66 117.59 2jys s GLN 57 Ca -0.00 -1.69 -0.11 0.00 0.02 0.00 0.00 55.36 53.57 2jys s GLN 57 Cb -0.14 -1.38 -0.06 0.00 1.00 0.00 0.00 33.01 32.43 2jys s GLN 57 CO 0.02 0.22 0.43 -0.51 -2.12 0.00 0.00 175.29 173.33 2jys s ASP 58 N -3.41 6.70 0.38 5.90 1.01 -1.26 -1.52 116.67 124.47 2jys s ASP 58 Ca 0.26 0.87 -0.11 0.00 0.71 0.00 0.00 52.55 54.29 2jys s ASP 58 Cb -0.02 -2.21 -0.07 0.00 1.01 0.00 0.00 42.92 41.63 2jys s ASP 58 CO 0.11 0.18 0.75 -0.69 0.21 0.00 0.00 175.17 175.73 2jys s VAL 59 N -1.37 4.78 -0.01 -1.27 1.01 0.57 -4.62 120.40 119.49 2jys s VAL 59 Ca 0.33 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.99 2jys s VAL 59 Cb -0.14 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2jys s VAL 59 CO 0.18 -0.44 -0.09 -0.31 0.00 0.00 0.00 175.10 174.44 2jys s TYR 60 N -2.28 0.80 -0.34 5.22 1.51 -0.77 -2.09 117.35 119.41 2jys s TYR 60 Ca 0.51 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 56.30 2jys s TYR 60 Cb -0.10 -0.53 -0.01 0.00 -0.11 0.00 0.00 41.96 41.21 2jys s TYR 60 CO 0.28 -0.03 0.21 -0.47 -1.11 0.00 0.00 175.55 174.44 2jys s TYR 61 N -0.14 3.21 0.39 2.71 5.04 -1.26 0.18 117.35 127.48 2jys s TYR 61 Ca 0.02 -0.47 0.07 0.00 -2.44 0.00 0.00 57.07 54.26 2jys s TYR 61 Cb -0.04 -2.44 -0.08 0.00 0.35 0.00 0.00 41.96 39.76 2jys s TYR 61 CO -0.00 -0.45 -0.00 -0.51 -1.34 0.00 0.00 175.55 173.25 2jys s LEU 62 N 1.66 2.77 -0.19 6.97 1.43 -0.78 -4.96 118.68 125.58 2jys s LEU 62 Ca 0.05 -1.34 0.01 0.00 -1.03 0.00 0.00 54.13 51.82 2jys s LEU 62 Cb -0.18 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.22 2jys s LEU 62 CO 0.08 -0.42 -0.17 -0.89 0.23 0.00 0.00 176.35 175.18 2jys s THR 63 N -2.76 1.95 0.10 5.49 2.01 -1.26 -2.04 115.64 119.13 2jys s THR 63 Ca 0.35 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 2jys s THR 63 Cb 0.09 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 2jys s THR 63 CO 0.17 0.41 0.03 0.72 -0.69 0.00 0.00 174.62 175.26 2jys s PHE 64 N 1.31 0.71 -0.23 4.92 -0.71 -0.83 -4.11 117.98 119.03 2jys s PHE 64 Ca 0.02 -1.15 -0.11 0.00 -1.04 0.00 0.00 56.93 54.66 2jys s PHE 64 Cb -0.14 -0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 41.19 2jys s PHE 64 CO -0.11 -0.47 0.18 0.15 -1.34 0.00 0.00 175.22 173.63 2jys s LYS 65 N -3.99 4.11 -0.30 1.99 1.02 0.27 -0.17 119.74 122.66 2jys s LYS 65 Ca 0.17 -0.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.86 2jys s LYS 65 Cb 0.08 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2jys s LYS 65 CO -0.03 0.10 0.14 0.08 -0.92 0.00 0.00 175.35 174.72 2jys s VAL 66 N 0.95 4.59 -1.56 3.17 1.01 0.18 -0.89 120.40 127.84 2jys s VAL 66 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2jys s VAL 66 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2jys s VAL 66 CO 0.04 0.10 0.10 0.00 0.00 0.00 0.00 175.10 175.34 2jys n GLN 67 N 4.98 -2.02 -1.14 2.72 6.02 -1.10 -1.38 117.38 125.45 2jys n GLN 67 Ca -0.14 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 2jys n GLN 67 Cb 0.49 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.31 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 -1.10 0.45 2.98 1.08 0.00 -1.26 -5.03 105.19 102.31 2jys n GLY 68 Ca -0.20 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.31 2.00 0.08 1.61 0.52 -0.48 -5.08 118.95 115.31 2jys s ARG 69 Ca 0.00 -0.61 -0.32 0.00 -0.52 0.00 0.00 55.73 54.29 2jys s ARG 69 Cb 0.00 -2.13 -0.11 0.00 0.52 0.00 0.00 34.95 33.23 2jys s ARG 69 CO 0.00 -0.33 1.86 1.17 0.02 0.00 0.00 175.30 178.02 2jys n LYS 70 N 4.78 2.70 -3.70 3.54 4.81 -1.26 0.47 118.16 129.49 2jys n LYS 70 Ca -0.15 0.98 -0.12 0.00 -0.87 0.00 0.00 58.31 58.16 2jys n LYS 70 Cb 0.49 -2.88 -0.12 0.00 0.02 0.00 0.00 35.03 32.54 2jys n LYS 70 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2jys s VAL 71 N 3.12 -0.17 -0.09 3.15 1.01 0.76 -4.86 120.40 123.31 2jys s VAL 71 Ca 0.84 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 2jys s VAL 71 Cb -0.51 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2jys s VAL 71 CO 0.40 0.07 -0.01 -1.61 0.00 0.00 0.00 175.10 173.94 2jys s GLU 72 N 1.67 3.03 0.25 2.72 2.02 -1.26 -1.97 118.70 125.16 2jys s GLU 72 Ca -0.07 -0.44 -0.22 0.00 0.02 0.00 0.00 54.97 54.27 2jys s GLU 72 Cb -0.10 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.38 2jys s GLU 72 CO -0.10 0.64 0.71 0.00 0.02 0.00 0.00 175.26 176.53 2jys s ALA 73 N -0.72 -1.30 0.17 5.21 0.00 -0.86 -5.00 121.76 119.25 2jys s ALA 73 Ca 0.11 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 2jys s ALA 73 Cb -0.12 0.84 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 2jys s ALA 73 CO 0.02 -0.99 0.95 -1.21 0.00 0.00 0.00 175.76 174.53 2jys s GLU 74 N -3.86 4.78 0.10 0.00 2.02 -1.26 -1.87 118.70 118.60 2jys s GLU 74 Ca 0.09 1.47 0.07 0.00 0.02 0.00 0.00 54.97 56.62 2jys s GLU 74 Cb -0.05 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 2jys s GLU 74 CO 0.04 0.37 -0.17 0.14 0.02 0.00 0.00 175.26 175.65 2jys s VAL 75 N -0.59 1.43 -0.04 2.63 -7.23 0.47 -3.24 120.40 113.85 2jys s VAL 75 Ca 0.44 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2jys s VAL 75 Cb -0.25 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 2jys s VAL 75 CO 0.31 -0.21 0.08 -0.22 -0.31 0.00 0.00 175.10 174.75 2jys s LEU 76 N -2.02 3.96 -0.08 1.32 2.96 -0.84 -1.85 118.68 122.13 2jys s LEU 76 Ca 0.05 0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.88 2jys s LEU 76 Cb -0.09 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2jys s LEU 76 CO 0.03 0.31 1.04 0.00 -1.32 0.00 0.00 176.35 176.42 2jys s ALA 77 N -1.12 3.39 0.04 5.97 0.00 -1.21 -0.13 121.76 128.70 2jys s ALA 77 Ca 0.20 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.62 2jys s ALA 77 Cb -0.12 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2jys s ALA 77 CO 0.11 -0.59 -0.06 0.45 0.00 0.00 0.00 175.76 175.66 2jys s SER 78 N 1.15 0.68 0.00 0.00 0.15 -0.25 -4.73 113.70 110.70 2jys s SER 78 Ca 0.50 -0.54 0.09 0.00 0.70 0.00 0.00 55.95 56.70 2jys s SER 78 Cb -0.20 0.06 0.52 0.00 -1.71 0.00 0.00 66.02 64.69 2jys s SER 78 CO 0.20 -0.24 0.99 -0.81 1.20 0.00 0.00 173.24 174.59 2jys n PRO 79 N 1.48 0.55 -0.48 5.44 -0.04 -1.26 -2.80 135.00 137.90 2jys n PRO 79 Ca -0.23 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 2jys n PRO 79 Cb 0.55 -1.25 0.28 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.42 -0.15 0.54 2.02 -1.26 -4.95 117.35 111.13 2jys s TYR 80 Ca 0.13 0.58 0.16 0.00 -0.37 0.00 0.00 57.07 57.57 2jys s TYR 80 Cb 0.06 -2.98 0.29 0.00 -0.40 0.00 0.00 41.96 38.93 2jys s TYR 80 CO 0.10 -4.81 1.18 -0.25 -1.57 0.00 0.00 175.55 170.19 2jys n ASP 81 N -5.50 2.57 0.00 2.29 8.00 -1.26 -4.81 116.55 117.84 2jys n ASP 81 Ca 0.12 -2.89 0.00 0.00 0.71 0.00 0.00 54.79 52.73 2jys n ASP 81 Cb 0.60 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.09 0.00 -4.17 1.24 4.11 -1.26 -4.99 117.16 111.00 2jys n TYR 82 Ca 0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.88 2jys n TYR 82 Cb 0.62 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.84 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 -0.30 0.81 -0.11 -3.48 1.01 -1.21 -3.92 121.20 114.00 2jys s ILE 83 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.61 2jys s ILE 83 Cb 0.00 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 2jys s ILE 83 CO 0.00 -0.20 -0.10 -0.76 0.00 0.00 0.00 174.94 173.88 2jys s LEU 84 N -1.37 2.93 -0.17 2.97 1.02 0.46 -0.91 118.68 123.60 2jys s LEU 84 Ca -0.04 -0.20 -0.09 0.00 0.02 0.00 0.00 54.13 53.82 2jys s LEU 84 Cb -0.09 -1.65 -0.05 0.00 0.02 0.00 0.00 46.19 44.42 2jys s LEU 84 CO 0.01 0.24 0.12 -0.76 0.02 0.00 0.00 176.35 175.98 2jys s LEU 85 N -0.07 4.20 0.07 1.79 2.01 -0.71 -1.54 118.68 124.43 2jys s LEU 85 Ca -0.01 0.28 -0.24 0.00 0.01 0.00 0.00 54.13 54.17 2jys s LEU 85 Cb -0.14 -2.06 -0.06 0.00 0.01 0.00 0.00 46.19 43.94 2jys s LEU 85 CO 0.03 0.25 0.72 0.21 1.01 0.00 0.00 176.35 178.58 2jys s ASN 86 N -0.07 7.21 0.53 2.29 2.47 -1.26 -3.24 114.94 122.87 2jys s ASN 86 Ca 0.10 1.44 0.26 0.00 0.42 0.00 0.00 52.86 55.07 2jys s ASN 86 Cb -0.11 -2.45 1.50 0.00 -1.45 0.00 0.00 41.25 38.74 2jys s ASN 86 CO 0.00 0.11 2.12 1.55 -3.72 0.00 0.00 177.10 177.16 2jys h PRO 87 N 5.20 0.00 0.00 0.43 0.13 -1.78 -1.82 132.00 134.16 2jys h PRO 87 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 2jys h PRO 87 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2jys h PRO 87 CO 0.69 0.09 -0.92 0.66 -0.23 0.00 0.00 178.00 178.28 2jys h SER 88 N 0.00 0.00 1.03 1.44 4.64 -1.87 -3.24 113.55 115.55 2jys h SER 88 Ca -0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2jys h SER 88 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2jys h SER 88 CO 0.01 0.89 -0.78 0.44 -0.87 0.00 0.00 176.83 176.53 2jys h ASP 89 N 0.00 0.00 -2.66 4.97 3.32 -1.69 -3.36 116.42 116.99 2jys h ASP 89 Ca -0.02 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.38 2jys h ASP 89 Cb 1.70 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.85 2jys h ASP 89 CO 0.11 0.78 -0.34 1.33 -1.72 0.00 0.00 179.24 179.40 2jys n VAL 90 N -3.41 2.68 0.23 -1.35 0.24 -0.83 -4.86 118.33 111.02 2jys n VAL 90 Ca 0.00 -5.22 0.11 0.00 -2.04 0.00 0.00 64.34 57.19 2jys n VAL 90 Cb 0.81 -2.16 0.52 0.00 -1.47 0.00 0.00 33.84 31.53 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 4.89 0.00 0.00 7.34 0.13 -1.72 -2.90 132.00 139.75 2jys h PRO 91 Ca 0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.18 2jys h PRO 91 Cb 0.70 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 2jys h PRO 91 CO 0.88 0.19 -0.63 0.11 -0.23 0.00 0.00 178.00 178.32 2jys h TRP 92 N 0.00 0.00 -0.35 1.56 0.09 -1.91 -2.98 115.95 112.36 2jys h TRP 92 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.96 2jys h TRP 92 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.89 2jys h TRP 92 CO 0.00 0.63 0.16 -0.07 0.09 0.00 0.00 178.44 179.25 2jys h LEU 93 N 0.00 0.43 -9.66 0.11 3.38 -1.90 -3.42 115.31 104.25 2jys h LEU 93 Ca -0.01 -0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.34 2jys h LEU 93 Cb 1.14 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 2jys h LEU 93 CO 0.08 0.38 -0.60 -0.04 0.09 0.00 0.00 178.44 178.35 2jys s MET 94 N -5.28 2.73 0.09 1.13 -1.94 -1.13 -5.10 119.30 109.79 2jys s MET 94 Ca -0.08 -0.93 -0.21 0.00 -1.71 0.00 0.00 55.69 52.77 2jys s MET 94 Cb 0.17 -2.56 -0.07 0.00 2.01 0.00 0.00 34.83 34.38 2jys s MET 94 CO 0.74 0.48 0.61 0.15 -0.01 0.00 0.00 175.02 176.99 2jys s LYS 95 N -2.96 4.28 -0.63 2.03 -0.14 -1.26 -4.90 119.74 116.16 2jys s LYS 95 Ca 0.29 0.82 0.05 0.00 -1.36 0.00 0.00 55.97 55.78 2jys s LYS 95 Cb -0.10 -3.25 0.17 0.00 -1.68 0.00 0.00 37.83 32.98 2jys s LYS 95 CO 0.21 0.62 0.47 1.17 -0.76 0.00 0.00 175.35 177.06 2jys n LYS 96 N 1.73 1.43 -2.27 1.68 4.81 -1.26 -5.10 118.16 119.17 2jys n LYS 96 Ca -0.09 -4.15 -0.38 0.00 -0.87 0.00 0.00 58.31 52.83 2jys n LYS 96 Cb 0.50 -2.12 -0.01 0.00 0.02 0.00 0.00 35.03 33.42 2jys n LYS 96 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jys s PRO 97 N -1.12 3.89 0.00 1.64 0.04 -1.26 -5.25 135.00 132.95 2jys s PRO 97 Ca 0.28 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2jys s PRO 97 Cb -0.01 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.00 2jys s PRO 97 CO -0.17 -0.45 0.00 -0.11 0.04 0.00 0.00 177.00 176.31