#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 3.44 0.59 3.69 0.04 -1.26 -4.93 135.00 136.57 2jys s PRO 9 Ca 0.00 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 2jys s PRO 9 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2jys s PRO 9 CO 0.00 -0.78 0.96 -0.51 0.04 0.00 0.00 177.00 176.71 2jys s LEU 10 N -3.64 3.29 0.21 -3.56 1.02 0.46 -4.64 118.68 111.81 2jys s LEU 10 Ca 0.71 1.17 -0.23 0.00 0.02 0.00 0.00 54.13 55.81 2jys s LEU 10 Cb -0.25 -4.14 -0.08 0.00 0.02 0.00 0.00 46.19 41.74 2jys s LEU 10 CO 0.28 -0.88 0.76 -1.61 0.02 0.00 0.00 176.35 174.93 2jys s GLU 11 N -5.07 4.41 -0.00 1.70 2.02 -1.26 0.12 118.70 120.62 2jys s GLU 11 Ca 0.53 1.03 -0.22 0.00 0.02 0.00 0.00 54.97 56.33 2jys s GLU 11 Cb -0.11 -3.03 0.05 0.00 0.10 0.00 0.00 34.13 31.14 2jys s GLU 11 CO 0.50 0.46 0.49 0.00 0.02 0.00 0.00 175.26 176.73 2jys s ALA 12 N -1.38 -1.26 -0.10 5.21 0.00 -0.76 -3.09 121.76 120.38 2jys s ALA 12 Ca 0.41 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 2jys s ALA 12 Cb -0.19 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2jys s ALA 12 CO 0.23 -0.38 -0.06 -1.21 0.00 0.00 0.00 175.76 174.33 2jys s GLU 13 N -1.72 1.33 -0.14 0.00 2.02 -0.71 -0.86 118.70 118.62 2jys s GLU 13 Ca -0.10 -0.19 -0.00 0.00 0.02 0.00 0.00 54.97 54.70 2jys s GLU 13 Cb -0.02 -1.41 -0.01 0.00 0.10 0.00 0.00 34.13 32.79 2jys s GLU 13 CO 0.04 -0.23 -0.13 0.42 0.02 0.00 0.00 175.26 175.37 2jys s ILE 14 N 1.61 2.94 -2.10 -1.63 1.01 0.40 -0.15 121.20 123.29 2jys s ILE 14 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2jys s ILE 14 Cb -0.13 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2jys s ILE 14 CO -0.06 0.52 0.00 0.29 0.00 0.00 0.00 174.94 175.69 2jys n LYS 15 N 3.75 -1.38 0.00 2.79 5.02 -1.24 -0.37 118.16 126.72 2jys n LYS 15 Ca -0.18 1.19 0.00 0.00 -2.02 0.00 0.00 58.31 57.30 2jys n LYS 15 Cb 0.52 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -0.55 1.66 3.73 0.72 0.00 -1.26 -5.03 105.19 104.47 2jys n GLY 16 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.35 4.59 0.05 2.61 2.01 0.50 -5.03 115.64 118.02 2jys s THR 17 Ca 0.00 1.91 -0.19 0.00 0.31 0.00 0.00 61.69 63.72 2jys s THR 17 Cb 0.00 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 2jys s THR 17 CO 0.00 0.34 0.55 -0.54 -0.69 0.00 0.00 174.62 174.28 2jys s LYS 18 N -0.03 4.19 0.22 4.92 1.02 -1.26 -0.45 119.74 128.35 2jys s LYS 18 Ca 0.44 0.69 -0.21 0.00 0.02 0.00 0.00 55.97 56.91 2jys s LYS 18 Cb -0.22 -3.26 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2jys s LYS 18 CO 0.27 0.60 0.63 -0.51 -0.92 0.00 0.00 175.35 175.42 2jys s LEU 19 N -0.93 -0.27 0.32 3.17 1.02 -0.04 -4.96 118.68 116.99 2jys s LEU 19 Ca 0.29 -0.40 -0.14 0.00 0.02 0.00 0.00 54.13 53.90 2jys s LEU 19 Cb -0.19 2.53 -0.08 0.00 0.02 0.00 0.00 46.19 48.47 2jys s LEU 19 CO 0.18 -1.16 0.72 -0.54 0.02 0.00 0.00 176.35 175.57 2jys s LYS 20 N -3.86 3.94 0.28 1.70 -0.14 -1.26 -1.83 119.74 118.58 2jys s LYS 20 Ca 0.08 0.59 0.02 0.00 -1.36 0.00 0.00 55.97 55.30 2jys s LYS 20 Cb -0.03 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.62 2jys s LYS 20 CO -0.02 0.15 0.10 0.00 -0.76 0.00 0.00 175.35 174.83 2jys s ALA 21 N -2.02 1.92 -0.04 5.17 0.00 0.33 -3.32 121.76 123.80 2jys s ALA 21 Ca 0.53 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.67 2jys s ALA 21 Cb -0.10 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2jys s ALA 21 CO 0.20 -0.44 -0.09 -1.01 0.00 0.00 0.00 175.76 174.41 2jys s HIS 22 N -3.64 1.06 -0.35 0.00 3.76 -0.22 0.17 115.29 116.07 2jys s HIS 22 Ca 0.37 -0.30 -0.21 0.00 -0.15 0.00 0.00 55.06 54.77 2jys s HIS 22 Cb 0.07 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.99 2jys s HIS 22 CO 0.15 -0.15 0.65 -0.46 -0.85 0.00 0.00 174.74 174.08 2jys s TRP 23 N 0.37 3.16 -0.30 1.40 -0.00 -1.26 -0.61 118.94 121.70 2jys s TRP 23 Ca -0.07 0.42 0.01 0.00 -0.00 0.00 0.00 56.10 56.46 2jys s TRP 23 Cb -0.11 -3.14 0.09 0.00 -0.00 0.00 0.00 33.47 30.31 2jys s TRP 23 CO 0.01 -0.61 0.05 0.34 -0.00 0.00 0.00 176.95 176.74 2jys s ASP 24 N 1.77 4.17 0.42 5.86 2.15 -1.12 -4.94 116.67 124.98 2jys s ASP 24 Ca 0.25 -1.67 0.11 0.00 0.43 0.00 0.00 52.55 51.67 2jys s ASP 24 Cb -0.14 -1.15 0.94 0.00 -0.30 0.00 0.00 42.92 42.26 2jys s ASP 24 CO 0.14 -0.36 2.01 -1.28 -0.17 0.00 0.00 175.17 175.51 2jys h SER 25 N 7.92 0.43 -0.87 -0.34 0.87 -1.95 -0.86 113.55 118.75 2jys h SER 25 Ca -0.12 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.62 2jys h SER 25 Cb 1.03 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 2jys h SER 25 CO 0.47 0.28 0.57 1.23 -0.53 0.00 0.00 176.83 178.85 2jys h GLY 26 N 0.49 0.96 -4.13 5.77 0.00 -1.93 -3.40 103.07 100.83 2jys h GLY 26 Ca 0.23 -0.22 -0.52 0.00 0.00 0.00 0.00 47.33 46.82 2jys h GLY 26 CO -0.06 0.03 0.64 0.00 0.00 0.00 0.00 176.54 177.15 2jys s ALA 27 N -5.51 3.52 -0.44 3.60 0.00 -0.33 -4.91 121.76 117.69 2jys s ALA 27 Ca -0.09 1.14 0.22 0.00 0.00 0.00 0.00 51.96 53.23 2jys s ALA 27 Cb 0.22 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.80 2jys s ALA 27 CO 0.78 -0.54 0.89 2.41 0.00 0.00 0.00 175.76 179.30 2jys n THR 28 N 2.10 0.19 -3.94 0.00 -1.04 -1.26 -4.30 114.28 106.02 2jys n THR 28 Ca 0.04 -0.34 -0.10 0.00 -2.04 0.00 0.00 64.05 61.62 2jys n THR 28 Cb 0.43 0.13 -0.11 0.00 -1.82 0.00 0.00 70.33 68.96 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 -3.29 0.09 0.28 12.58 2.07 -1.26 -4.82 121.20 126.86 2jys s ILE 29 Ca 0.01 -0.79 -0.30 0.00 -1.41 0.00 0.00 60.65 58.16 2jys s ILE 29 Cb 0.14 -0.31 -0.12 0.00 0.13 0.00 0.00 42.46 42.30 2jys s ILE 29 CO 0.83 -0.43 1.51 0.41 -1.91 0.00 0.00 174.94 175.35 2jys n THR 30 N 1.63 1.10 -4.10 4.00 -1.04 -1.24 -4.59 114.28 110.04 2jys n THR 30 Ca -0.23 -0.27 -0.33 0.00 -2.04 0.00 0.00 64.05 61.17 2jys n THR 30 Cb 0.55 -1.77 -0.16 0.00 -1.82 0.00 0.00 70.33 67.14 2jys n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jys s VAL 32 N 1.30 3.16 0.02 0.00 -7.23 0.64 0.14 120.40 118.43 2jys s VAL 32 Ca 0.04 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 2jys s VAL 32 Cb -0.13 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 2jys s VAL 32 CO -0.12 -0.29 1.01 -2.16 -0.31 0.00 0.00 175.10 173.23 2jys s PRO 33 N -3.72 4.56 0.59 4.82 0.04 -1.24 0.15 135.00 140.19 2jys s PRO 33 Ca 0.34 1.47 0.33 0.00 0.04 0.00 0.00 61.00 63.18 2jys s PRO 33 Cb -0.04 -3.43 1.27 0.00 0.04 0.00 0.00 34.50 32.34 2jys s PRO 33 CO 0.20 -0.05 1.53 1.49 0.04 0.00 0.00 177.00 180.22 2jys h GLU 34 N 6.64 0.00 -0.89 4.56 4.81 -1.81 0.58 114.58 128.47 2jys h GLU 34 Ca -0.41 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 58.95 2jys h GLU 34 Cb 1.22 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.51 2jys h GLU 34 CO 0.75 0.00 0.50 0.00 -0.73 0.00 0.00 179.01 179.53 2jys h ALA 35 N 0.90 1.34 -0.00 2.92 0.00 -1.90 0.62 119.26 123.14 2jys h ALA 35 Ca 0.55 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2jys h ALA 35 Cb 2.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.43 2jys h ALA 35 CO -0.01 0.00 -0.05 1.19 0.00 0.00 0.00 179.25 180.39 2jys n PHE 36 N -4.79 0.00 -0.54 0.00 3.72 0.20 -3.41 117.46 112.64 2jys n PHE 36 Ca 0.17 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.61 2jys n PHE 36 Cb 0.41 -0.13 0.31 0.00 -0.94 0.00 0.00 39.48 39.13 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 -0.89 4.90 -0.25 4.37 4.77 0.22 -4.57 117.00 125.54 2jys n LEU 37 Ca 0.18 -2.50 -0.08 0.00 -0.03 0.00 0.00 56.01 53.58 2jys n LEU 37 Cb 0.23 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 2jys n LEU 37 CO 0.21 0.58 0.56 -0.33 -1.33 0.00 0.00 177.39 177.09 2jys h GLU 38 N 3.03 -0.17 -1.16 3.23 5.08 -1.57 0.80 114.58 123.84 2jys h GLU 38 Ca 0.04 0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 57.83 2jys h GLU 38 Cb 1.75 0.04 -0.25 0.00 0.50 0.00 0.00 28.75 30.79 2jys h GLU 38 CO 0.43 -0.11 0.75 -0.25 -1.00 0.00 0.00 179.01 178.83 2jys n ASP 39 N -5.40 7.37 -4.50 1.42 8.00 -1.26 -5.00 116.55 117.18 2jys n ASP 39 Ca 0.03 -3.59 -0.52 0.00 0.71 0.00 0.00 54.79 51.42 2jys n ASP 39 Cb 0.35 -1.00 -0.05 0.00 -0.02 0.00 0.00 41.12 40.39 2jys n ASP 39 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2jys n GLU 40 N -0.56 0.41 -3.73 -1.24 0.28 0.28 -4.93 120.64 111.15 2jys n GLU 40 Ca 0.54 0.14 -0.29 0.00 -0.16 0.00 0.00 57.16 57.39 2jys n GLU 40 Cb 0.63 -1.51 -0.12 0.00 1.43 0.00 0.00 31.44 31.87 2jys n GLU 40 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2jys s ARG 41 N -0.39 1.60 -0.13 3.44 3.00 -1.26 -5.09 118.95 120.12 2jys s ARG 41 Ca 0.78 -2.42 -0.29 0.00 0.00 0.00 0.00 55.73 53.79 2jys s ARG 41 Cb -1.03 -2.57 -0.04 0.00 0.00 0.00 0.00 34.95 31.31 2jys s ARG 41 CO 0.55 -1.22 1.52 -1.25 0.00 0.00 0.00 175.30 174.89 2jys s PRO 42 N -0.21 4.11 -0.09 3.54 0.04 -1.26 -3.53 135.00 137.60 2jys s PRO 42 Ca 0.22 1.90 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2jys s PRO 42 Cb -0.15 -3.93 -0.25 0.00 0.04 0.00 0.00 34.50 30.21 2jys s PRO 42 CO -0.07 -0.90 0.47 0.44 0.04 0.00 0.00 177.00 176.98 2jys n ILE 43 N 5.65 1.71 -4.30 0.56 -5.35 -0.50 -4.96 119.36 112.18 2jys n ILE 43 Ca 0.16 -0.71 -0.18 0.00 -0.27 0.00 0.00 62.75 61.75 2jys n ILE 43 Cb 0.44 -1.44 -0.09 0.00 -1.74 0.00 0.00 39.64 36.82 2jys n ILE 43 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2jys s GLN 44 N -2.57 1.60 0.09 6.28 -0.21 -1.22 -5.02 119.66 118.61 2jys s GLN 44 Ca -0.15 -1.91 0.06 0.00 0.02 0.00 0.00 55.36 53.37 2jys s GLN 44 Cb 0.07 0.12 -0.03 0.00 1.00 0.00 0.00 33.01 34.16 2jys s GLN 44 CO 0.79 -0.52 -0.15 0.95 -2.12 0.00 0.00 175.29 174.25 2jys s THR 45 N -3.63 1.23 0.02 -0.19 -4.23 -1.26 0.74 115.64 108.32 2jys s THR 45 Ca 0.38 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2jys s THR 45 Cb 0.04 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 2jys s THR 45 CO 0.20 -0.29 -0.04 -0.04 -0.54 0.00 0.00 174.62 173.91 2jys s MET 46 N -2.12 0.33 -0.19 3.99 -1.94 -0.59 -4.82 119.30 113.96 2jys s MET 46 Ca 0.03 -0.50 -0.11 0.00 -1.71 0.00 0.00 55.69 53.39 2jys s MET 46 Cb -0.08 -0.09 -0.05 0.00 2.01 0.00 0.00 34.83 36.63 2jys s MET 46 CO 0.03 0.01 0.19 -1.17 -0.01 0.00 0.00 175.02 174.06 2jys s LEU 47 N -1.09 4.21 -0.10 -0.03 2.96 -1.26 -1.78 118.68 121.59 2jys s LEU 47 Ca -0.09 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 2jys s LEU 47 Cb -0.07 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.40 2jys s LEU 47 CO -0.00 0.14 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.41 2jys s ILE 48 N 0.49 3.16 -0.09 6.68 1.01 0.22 -4.94 121.20 127.74 2jys s ILE 48 Ca 0.11 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 2jys s ILE 48 Cb -0.12 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2jys s ILE 48 CO 0.01 0.55 0.06 -0.54 0.00 0.00 0.00 174.94 175.02 2jys s LYS 49 N -0.11 3.15 0.02 2.79 1.02 -1.26 0.11 119.74 125.46 2jys s LYS 49 Ca -0.01 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 55.70 2jys s LYS 49 Cb -0.14 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 2jys s LYS 49 CO 0.03 0.72 -0.12 0.99 -0.92 0.00 0.00 175.35 176.06 2jys s THR 50 N -0.97 0.91 0.30 2.17 2.01 0.44 -4.86 115.64 115.63 2jys s THR 50 Ca 0.15 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.39 2jys s THR 50 Cb -0.12 -0.82 0.29 0.00 0.01 0.00 0.00 72.50 71.86 2jys s THR 50 CO 0.04 0.02 1.72 -0.29 -0.69 0.00 0.00 174.62 175.42 2jys h ILE 51 N 4.64 0.54 -0.36 1.82 2.10 -2.03 0.43 117.51 124.65 2jys h ILE 51 Ca -0.35 -0.17 -0.10 0.00 1.08 0.00 0.00 64.86 65.31 2jys h ILE 51 Cb 1.18 -0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.89 2jys h ILE 51 CO 0.45 0.09 -0.20 -0.74 -1.08 0.00 0.00 178.15 176.67 2jys h HIS 52 N 0.50 0.76 -1.43 2.19 2.76 -2.04 -3.48 115.15 114.42 2jys h HIS 52 Ca 0.57 -0.16 0.16 0.00 -2.20 0.00 0.00 60.37 58.74 2jys h HIS 52 Cb 1.05 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.80 2jys h HIS 52 CO -0.08 0.83 0.39 0.41 -1.30 0.00 0.00 177.93 178.18 2jys n GLY 53 N -0.33 0.31 3.62 5.26 0.00 0.15 -5.14 105.19 109.06 2jys n GLY 53 Ca 0.00 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.00 3.95 -0.06 1.61 2.02 -1.26 0.17 118.70 123.13 2jys s GLU 54 Ca 0.13 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.81 2jys s GLU 54 Cb -0.00 -3.23 -0.00 0.00 0.10 0.00 0.00 34.13 30.99 2jys s GLU 54 CO -0.01 0.23 -0.21 0.15 0.02 0.00 0.00 175.26 175.44 2jys s LYS 55 N 0.48 2.30 -0.19 1.61 1.02 0.30 -4.90 119.74 120.37 2jys s LYS 55 Ca 0.03 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 2jys s LYS 55 Cb -0.13 -1.92 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2jys s LYS 55 CO 0.01 0.28 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.55 2jys s GLN 56 N 0.04 3.58 0.08 1.68 0.74 -1.26 0.72 119.66 125.24 2jys s GLN 56 Ca -0.07 -0.55 0.09 0.00 0.05 0.00 0.00 55.36 54.88 2jys s GLN 56 Cb -0.14 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 2jys s GLN 56 CO 0.04 0.04 -0.23 -1.14 -0.55 0.00 0.00 175.29 173.45 2jys s GLN 57 N 0.90 1.39 0.53 1.67 0.74 -0.73 -4.91 119.66 119.25 2jys s GLN 57 Ca 0.00 -1.11 -0.09 0.00 0.05 0.00 0.00 55.36 54.21 2jys s GLN 57 Cb -0.14 -1.64 -0.04 0.00 1.10 0.00 0.00 33.01 32.29 2jys s GLN 57 CO 0.02 0.40 0.89 -0.51 -0.55 0.00 0.00 175.29 175.54 2jys s ASP 58 N -1.56 6.30 -0.15 6.67 1.01 -1.26 -1.54 116.67 126.14 2jys s ASP 58 Ca 0.09 1.19 -0.10 0.00 0.71 0.00 0.00 52.55 54.44 2jys s ASP 58 Cb -0.10 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 2jys s ASP 58 CO 0.03 -0.67 0.18 -0.69 0.21 0.00 0.00 175.17 174.23 2jys s VAL 59 N -2.87 5.41 0.10 -1.27 1.01 0.23 -4.79 120.40 118.22 2jys s VAL 59 Ca 0.52 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.89 2jys s VAL 59 Cb -0.11 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2jys s VAL 59 CO 0.46 0.51 -0.25 -0.31 0.00 0.00 0.00 175.10 175.52 2jys s TYR 60 N -0.28 2.37 -0.33 5.22 1.51 -0.83 -1.41 117.35 123.60 2jys s TYR 60 Ca 0.13 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 2jys s TYR 60 Cb -0.12 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.44 2jys s TYR 60 CO 0.02 0.30 0.13 -0.47 -1.11 0.00 0.00 175.55 174.42 2jys s TYR 61 N -1.01 3.20 0.25 2.71 5.04 -1.23 0.19 117.35 126.51 2jys s TYR 61 Ca 0.14 -1.02 0.10 0.00 -2.44 0.00 0.00 57.07 53.85 2jys s TYR 61 Cb -0.10 -2.32 -0.05 0.00 0.35 0.00 0.00 41.96 39.84 2jys s TYR 61 CO 0.06 -0.62 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.05 2jys s LEU 62 N 1.51 2.94 -0.22 6.97 1.02 -0.47 -4.87 118.68 125.56 2jys s LEU 62 Ca 0.02 -0.76 0.00 0.00 0.02 0.00 0.00 54.13 53.41 2jys s LEU 62 Cb -0.18 -1.49 0.03 0.00 0.02 0.00 0.00 46.19 44.56 2jys s LEU 62 CO 0.04 0.03 -0.13 -0.89 0.02 0.00 0.00 176.35 175.43 2jys s THR 63 N -2.26 2.46 0.08 5.49 2.01 -1.26 -2.02 115.64 120.15 2jys s THR 63 Ca 0.29 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.26 2jys s THR 63 Cb -0.06 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2jys s THR 63 CO 0.17 0.32 -0.05 0.72 -0.69 0.00 0.00 174.62 175.09 2jys s PHE 64 N 1.29 0.77 -0.14 4.92 -0.71 -0.61 -3.66 117.98 119.83 2jys s PHE 64 Ca 0.01 -0.97 -0.17 0.00 -1.04 0.00 0.00 56.93 54.76 2jys s PHE 64 Cb -0.15 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.14 2jys s PHE 64 CO -0.08 -0.23 0.43 0.15 -1.34 0.00 0.00 175.22 174.15 2jys s LYS 65 N -3.86 4.29 -0.44 1.99 1.02 0.79 -0.97 119.74 122.56 2jys s LYS 65 Ca 0.10 0.34 -0.10 0.00 0.02 0.00 0.00 55.97 56.33 2jys s LYS 65 Cb 0.06 -3.45 0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2jys s LYS 65 CO -0.06 0.13 0.31 0.08 -0.92 0.00 0.00 175.35 174.89 2jys s VAL 66 N 0.74 4.40 -1.23 3.17 1.01 0.38 -1.73 120.40 127.14 2jys s VAL 66 Ca 0.23 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.71 2jys s VAL 66 Cb -0.15 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2jys s VAL 66 CO 0.08 -0.60 0.66 0.00 0.00 0.00 0.00 175.10 175.24 2jys n GLN 67 N 4.97 -4.86 -1.46 2.72 6.02 -1.18 -2.06 117.38 121.52 2jys n GLN 67 Ca -0.10 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 2jys n GLN 67 Cb 0.42 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.40 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 -1.51 0.48 2.91 1.08 0.00 -1.26 -5.04 105.19 101.85 2jys n GLY 68 Ca -0.06 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.98 1.53 0.01 1.61 0.52 -0.88 -5.10 118.95 113.66 2jys s ARG 69 Ca 0.00 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 2jys s ARG 69 Cb 0.00 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.84 2jys s ARG 69 CO 0.00 -0.24 1.63 0.21 0.02 0.00 0.00 175.30 176.92 2jys s LYS 70 N 1.62 4.20 -0.07 3.54 2.20 -1.26 0.14 119.74 130.12 2jys s LYS 70 Ca 0.03 2.23 -0.04 0.00 -0.36 0.00 0.00 55.97 57.83 2jys s LYS 70 Cb -0.13 -3.77 0.03 0.00 -1.51 0.00 0.00 37.83 32.45 2jys s LYS 70 CO -0.07 -0.77 0.16 0.08 -0.36 0.00 0.00 175.35 174.39 2jys s VAL 71 N 3.24 -0.03 -0.06 4.02 1.01 -0.14 -4.88 120.40 123.56 2jys s VAL 71 Ca 0.73 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.87 2jys s VAL 71 Cb -0.36 -0.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2jys s VAL 71 CO 0.31 0.05 -0.20 -1.61 0.00 0.00 0.00 175.10 173.64 2jys s GLU 72 N 0.81 2.56 0.31 2.72 2.02 -1.26 -1.57 118.70 124.29 2jys s GLU 72 Ca -0.06 -0.81 -0.20 0.00 0.02 0.00 0.00 54.97 53.93 2jys s GLU 72 Cb -0.08 -2.28 0.03 0.00 0.10 0.00 0.00 34.13 31.91 2jys s GLU 72 CO -0.04 0.48 0.74 0.00 0.02 0.00 0.00 175.26 176.46 2jys s ALA 73 N -0.38 -1.09 0.27 5.21 0.00 -0.85 -5.00 121.76 119.91 2jys s ALA 73 Ca 0.03 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.28 2jys s ALA 73 Cb -0.12 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 2jys s ALA 73 CO 0.02 -1.03 0.94 -1.21 0.00 0.00 0.00 175.76 174.49 2jys s GLU 74 N -3.46 4.77 0.14 0.00 2.02 -1.26 -1.37 118.70 119.54 2jys s GLU 74 Ca 0.12 1.45 0.02 0.00 0.02 0.00 0.00 54.97 56.58 2jys s GLU 74 Cb -0.06 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 2jys s GLU 74 CO 0.08 0.44 -0.03 0.14 0.02 0.00 0.00 175.26 175.91 2jys s VAL 75 N -1.31 0.70 0.20 2.63 -7.23 0.51 -3.69 120.40 112.21 2jys s VAL 75 Ca 0.44 -1.97 0.11 0.00 -1.81 0.00 0.00 61.98 58.75 2jys s VAL 75 Cb -0.24 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 2jys s VAL 75 CO 0.30 -0.66 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.45 2jys s LEU 76 N -3.12 2.51 0.21 1.32 1.43 -0.82 -1.97 118.68 118.23 2jys s LEU 76 Ca 0.18 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2jys s LEU 76 Cb 0.06 -1.22 -0.08 0.00 0.03 0.00 0.00 46.19 44.97 2jys s LEU 76 CO 0.00 0.11 0.94 0.00 0.23 0.00 0.00 176.35 177.63 2jys s ALA 77 N -1.74 3.32 0.00 4.21 0.00 -1.25 -0.26 121.76 126.04 2jys s ALA 77 Ca 0.22 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 2jys s ALA 77 Cb -0.08 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 19.82 2jys s ALA 77 CO 0.11 0.16 0.08 0.45 0.00 0.00 0.00 175.76 176.56 2jys s SER 78 N -0.92 0.08 0.00 0.00 0.15 0.12 -4.78 113.70 108.34 2jys s SER 78 Ca 0.42 -0.26 0.13 0.00 0.70 0.00 0.00 55.95 56.95 2jys s SER 78 Cb -0.25 0.17 0.80 0.00 -1.71 0.00 0.00 66.02 65.03 2jys s SER 78 CO 0.31 -0.32 1.27 -0.81 1.20 0.00 0.00 173.24 174.90 2jys n PRO 79 N 1.64 0.63 -0.88 5.44 -0.04 -1.26 -2.64 135.00 137.90 2jys n PRO 79 Ca -0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.94 2jys n PRO 79 Cb 0.56 -1.33 0.24 0.00 -0.04 0.00 0.00 33.50 32.92 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 0.76 -0.35 0.54 2.02 -1.26 -4.96 117.35 112.10 2jys s TYR 80 Ca 0.20 0.72 0.13 0.00 -0.37 0.00 0.00 57.07 57.75 2jys s TYR 80 Cb 0.09 -3.24 0.34 0.00 -0.40 0.00 0.00 41.96 38.75 2jys s TYR 80 CO 0.16 -3.90 1.26 -0.40 -1.57 0.00 0.00 175.55 171.09 2jys n ASP 81 N -4.84 3.03 0.00 2.29 5.68 -1.26 -4.73 116.55 116.72 2jys n ASP 81 Ca 0.09 -2.59 0.00 0.00 -0.50 0.00 0.00 54.79 51.79 2jys n ASP 81 Cb 0.58 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2jys n ASP 81 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jys n TYR 82 N -0.40 0.00 -4.61 2.11 4.11 -1.26 -4.99 117.16 112.12 2jys n TYR 82 Ca 0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.75 2jys n TYR 82 Cb 0.62 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.79 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 -0.51 1.67 0.21 -3.48 1.01 -1.21 -3.69 121.20 115.21 2jys s ILE 83 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 2jys s ILE 83 Cb 0.00 -1.50 -0.08 0.00 0.01 0.00 0.00 42.46 40.89 2jys s ILE 83 CO 0.00 0.47 0.77 -0.76 0.00 0.00 0.00 174.94 175.43 2jys s LEU 84 N 0.85 4.45 -0.00 2.97 1.02 0.38 -1.06 118.68 127.28 2jys s LEU 84 Ca -0.09 1.57 0.04 0.00 0.02 0.00 0.00 54.13 55.67 2jys s LEU 84 Cb -0.15 -3.52 -0.03 0.00 0.02 0.00 0.00 46.19 42.50 2jys s LEU 84 CO -0.00 0.09 -0.11 -0.76 0.02 0.00 0.00 176.35 175.59 2jys s LEU 85 N -1.64 2.93 -0.12 1.79 1.43 0.22 -2.43 118.68 120.86 2jys s LEU 85 Ca 0.41 -0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.24 2jys s LEU 85 Cb -0.20 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2jys s LEU 85 CO 0.23 0.29 0.07 0.21 0.23 0.00 0.00 176.35 177.39 2jys s ASN 86 N -1.23 5.75 0.31 2.29 2.47 -1.26 -2.80 114.94 120.46 2jys s ASN 86 Ca 0.15 0.25 0.02 0.00 0.42 0.00 0.00 52.86 53.69 2jys s ASN 86 Cb -0.11 -1.81 0.50 0.00 -1.45 0.00 0.00 41.25 38.38 2jys s ASN 86 CO 0.05 0.34 1.84 1.55 -3.72 0.00 0.00 177.10 177.16 2jys h PRO 87 N 5.49 0.66 0.00 0.43 0.13 -1.78 -1.93 132.00 135.01 2jys h PRO 87 Ca -0.49 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.41 2jys h PRO 87 Cb 1.20 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2jys h PRO 87 CO 0.60 0.65 -0.44 0.77 -0.23 0.00 0.00 178.00 179.35 2jys h SER 88 N 0.64 0.00 1.08 1.44 0.02 -1.88 -2.93 113.55 111.92 2jys h SER 88 Ca 0.14 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 2jys h SER 88 Cb 0.33 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 2jys h SER 88 CO 0.01 0.44 -0.87 0.44 -1.14 0.00 0.00 176.83 175.70 2jys h ASP 89 N 0.00 0.00 -2.35 3.07 3.32 -1.77 -3.36 116.42 115.32 2jys h ASP 89 Ca -0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 2jys h ASP 89 Cb 0.97 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.10 2jys h ASP 89 CO 0.06 0.87 -0.59 1.33 -1.72 0.00 0.00 179.24 179.19 2jys n VAL 90 N -3.35 2.21 0.37 -1.35 0.24 -0.77 -4.87 118.33 110.80 2jys n VAL 90 Ca 0.00 -5.15 0.14 0.00 -2.04 0.00 0.00 64.34 57.29 2jys n VAL 90 Cb 0.88 -2.11 0.55 0.00 -1.47 0.00 0.00 33.84 31.68 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 4.39 0.00 0.00 7.34 0.13 -1.71 -2.82 132.00 139.33 2jys h PRO 91 Ca 0.19 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.12 2jys h PRO 91 Cb 0.68 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 2jys h PRO 91 CO 0.81 0.00 -1.04 0.11 -0.23 0.00 0.00 178.00 177.65 2jys h TRP 92 N 0.00 0.00 0.00 1.56 0.09 -1.89 -3.23 115.95 112.48 2jys h TRP 92 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 2jys h TRP 92 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.66 2jys h TRP 92 CO 0.00 0.85 -0.02 1.25 0.09 0.00 0.00 178.44 180.61 2jys h LEU 93 N 0.00 0.00 -0.85 0.11 5.85 -1.88 -1.03 115.31 117.51 2jys h LEU 93 Ca -0.07 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2jys h LEU 93 Cb 1.71 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.72 2jys h LEU 93 CO 0.10 0.02 -0.25 0.24 -0.34 0.00 0.00 178.44 178.21 2jys h MET 94 N 0.00 0.57 -6.21 1.25 2.86 -1.69 -3.42 114.93 108.29 2jys h MET 94 Ca -0.00 -0.22 -0.69 0.00 -2.06 0.00 0.00 59.70 56.73 2jys h MET 94 Cb 0.04 -0.03 -0.28 0.00 0.06 0.00 0.00 31.60 31.39 2jys h MET 94 CO 0.00 0.77 -0.83 0.15 1.06 0.00 0.00 176.91 178.06 2jys s LYS 95 N -4.52 2.50 0.48 1.72 1.02 -0.39 -5.11 119.74 115.44 2jys s LYS 95 Ca -0.08 -0.82 -0.22 0.00 0.02 0.00 0.00 55.97 54.88 2jys s LYS 95 Cb 0.13 -2.25 -0.07 0.00 -0.52 0.00 0.00 37.83 35.12 2jys s LYS 95 CO 0.81 0.50 1.11 0.15 -0.92 0.00 0.00 175.35 176.99 2jys s LYS 96 N -0.43 3.71 0.38 1.68 1.02 -1.26 -4.83 119.74 120.02 2jys s LYS 96 Ca 0.05 1.60 0.28 0.00 0.02 0.00 0.00 55.97 57.92 2jys s LYS 96 Cb -0.12 -2.25 1.17 0.00 -0.52 0.00 0.00 37.83 36.11 2jys s LYS 96 CO 0.02 -0.55 1.83 -1.00 -0.92 0.00 0.00 175.35 174.73 2jys h PRO 97 N 1.78 0.00 0.00 -1.68 0.13 -1.98 -3.52 132.00 126.73 2jys h PRO 97 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2jys h PRO 97 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jys h PRO 97 CO 0.59 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.64