#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 2.09 0.59 -1.09 0.04 -1.26 -4.69 135.00 130.68 2jys s PRO 9 Ca 0.00 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.21 2jys s PRO 9 Cb 0.00 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.75 2jys s PRO 9 CO 0.00 -1.73 0.81 -0.51 0.04 0.00 0.00 177.00 175.61 2jys s LEU 10 N -5.96 3.09 -0.08 -3.56 1.43 0.49 -4.79 118.68 109.30 2jys s LEU 10 Ca 0.61 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2jys s LEU 10 Cb -0.17 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2jys s LEU 10 CO 0.56 -1.38 -0.03 -1.61 0.23 0.00 0.00 176.35 174.11 2jys s GLU 11 N -4.70 2.88 -0.01 1.70 2.02 -1.26 0.14 118.70 119.46 2jys s GLU 11 Ca 0.62 -0.48 -0.14 0.00 0.02 0.00 0.00 54.97 55.00 2jys s GLU 11 Cb -0.06 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.50 2jys s GLU 11 CO 0.39 0.68 0.29 0.00 0.02 0.00 0.00 175.26 176.64 2jys s ALA 12 N -0.83 -0.72 -0.19 5.21 0.00 -0.80 -1.97 121.76 122.46 2jys s ALA 12 Ca 0.13 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2jys s ALA 12 Cb -0.11 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2jys s ALA 12 CO 0.02 -0.25 -0.12 -1.21 0.00 0.00 0.00 175.76 174.20 2jys s GLU 13 N -1.29 2.19 -0.16 0.00 2.02 -0.07 -1.00 118.70 120.39 2jys s GLU 13 Ca -0.13 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 2jys s GLU 13 Cb -0.05 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 2jys s GLU 13 CO 0.04 -0.37 -0.03 0.42 0.02 0.00 0.00 175.26 175.33 2jys s ILE 14 N 1.39 3.91 -1.52 -1.63 1.01 0.09 -0.75 121.20 123.70 2jys s ILE 14 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2jys s ILE 14 Cb -0.15 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2jys s ILE 14 CO -0.09 0.49 0.00 0.29 0.00 0.00 0.00 174.94 175.63 2jys n LYS 15 N 3.58 -1.64 -0.40 2.79 5.02 -1.26 0.97 118.16 127.22 2jys n LYS 15 Ca -0.17 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2jys n LYS 15 Cb 0.52 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 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 -0.56 0.99 3.60 0.72 0.00 -1.26 -5.02 105.19 103.66 2jys n GLY 16 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.93 4.92 -0.11 2.61 2.01 0.27 -5.03 115.64 117.38 2jys s THR 17 Ca 0.00 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.62 2jys s THR 17 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2jys s THR 17 CO 0.00 -0.15 0.93 -0.75 -0.69 0.00 0.00 174.62 173.96 2jys s LYS 18 N 2.65 4.40 0.11 4.92 2.20 -1.26 -0.73 119.74 132.02 2jys s LYS 18 Ca 0.26 1.25 -0.07 0.00 -0.36 0.00 0.00 55.97 57.04 2jys s LYS 18 Cb -0.15 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2jys s LYS 18 CO 0.12 -0.26 0.18 -0.51 -0.36 0.00 0.00 175.35 174.52 2jys s LEU 19 N 1.85 1.45 0.40 5.43 1.43 -0.17 -5.00 118.68 124.08 2jys s LEU 19 Ca 0.45 -0.79 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 2jys s LEU 19 Cb -0.18 0.92 -0.11 0.00 0.03 0.00 0.00 46.19 46.86 2jys s LEU 19 CO 0.17 -0.76 0.94 -0.54 0.23 0.00 0.00 176.35 176.39 2jys s LYS 20 N -3.91 4.31 0.35 1.70 1.02 -1.26 -1.91 119.74 120.03 2jys s LYS 20 Ca 0.10 1.15 0.03 0.00 0.02 0.00 0.00 55.97 57.27 2jys s LYS 20 Cb 0.05 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 2jys s LYS 20 CO -0.07 0.06 0.09 0.00 -0.92 0.00 0.00 175.35 174.51 2jys s ALA 21 N -2.03 2.47 -0.08 5.17 0.00 0.37 -3.54 121.76 124.12 2jys s ALA 21 Ca 0.59 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2jys s ALA 21 Cb -0.11 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2jys s ALA 21 CO 0.16 -0.35 -0.13 -1.01 0.00 0.00 0.00 175.76 174.43 2jys s HIS 22 N -3.34 1.67 -0.15 0.00 3.76 0.22 0.18 115.29 117.64 2jys s HIS 22 Ca 0.32 -0.69 -0.18 0.00 -0.15 0.00 0.00 55.06 54.36 2jys s HIS 22 Cb 0.06 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.49 2jys s HIS 22 CO 0.15 -0.36 0.48 -0.46 -0.85 0.00 0.00 174.74 173.70 2jys s TRP 23 N 0.81 3.47 -0.25 1.40 -0.00 -1.26 0.75 118.94 123.86 2jys s TRP 23 Ca -0.11 0.84 -0.04 0.00 -0.00 0.00 0.00 56.10 56.79 2jys s TRP 23 Cb -0.15 -2.58 0.08 0.00 -0.00 0.00 0.00 33.47 30.81 2jys s TRP 23 CO 0.02 0.08 0.10 0.34 -0.00 0.00 0.00 176.95 177.49 2jys s ASP 24 N 0.79 3.19 0.56 5.86 2.15 -1.19 -4.94 116.67 123.09 2jys s ASP 24 Ca 0.25 -1.08 0.25 0.00 0.43 0.00 0.00 52.55 52.40 2jys s ASP 24 Cb -0.15 -0.44 1.49 0.00 -0.30 0.00 0.00 42.92 43.51 2jys s ASP 24 CO 0.10 -0.39 2.07 0.77 -0.17 0.00 0.00 175.17 177.55 2jys h SER 25 N 8.33 0.00 0.37 -0.34 4.64 -1.96 0.14 113.55 124.72 2jys h SER 25 Ca -0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 2jys h SER 25 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2jys h SER 25 CO 0.39 0.00 -0.34 1.23 -0.87 0.00 0.00 176.83 177.24 2jys h GLY 26 N 0.00 0.00 -3.51 -0.77 0.00 -1.96 -3.44 103.07 93.39 2jys h GLY 26 Ca 0.13 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.93 2jys h GLY 26 CO -0.00 0.00 0.66 0.00 0.00 0.00 0.00 176.54 177.20 2jys s ALA 27 N -4.22 3.31 -1.11 3.60 0.00 0.47 -4.91 121.76 118.90 2jys s ALA 27 Ca -0.03 1.34 0.13 0.00 0.00 0.00 0.00 51.96 53.40 2jys s ALA 27 Cb 0.14 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2jys s ALA 27 CO 0.72 -0.94 0.71 2.41 0.00 0.00 0.00 175.76 178.66 2jys n THR 28 N 0.12 0.00 -3.72 0.00 -1.04 -1.26 -4.33 114.28 104.05 2jys n THR 28 Ca 0.03 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.05 61.56 2jys n THR 28 Cb 0.42 1.14 -0.09 0.00 -1.82 0.00 0.00 70.33 69.98 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 -1.66 0.02 0.63 12.58 2.07 -1.26 -4.88 121.20 128.69 2jys s ILE 29 Ca 0.10 -0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.00 2jys s ILE 29 Cb 0.10 -0.65 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 2jys s ILE 29 CO 0.34 -0.09 0.85 0.41 -1.91 0.00 0.00 174.94 174.54 2jys n THR 30 N 2.09 3.26 -5.01 4.00 -1.04 -1.16 -4.53 114.28 111.89 2jys n THR 30 Ca -0.17 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.05 61.06 2jys n THR 30 Cb 0.57 -1.02 -0.17 0.00 -1.82 0.00 0.00 70.33 67.88 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 0.47 0.64 0.10 0.00 1.01 0.26 -1.49 120.40 121.38 2jys s VAL 32 Ca -0.17 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2jys s VAL 32 Cb -0.17 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2jys s VAL 32 CO 0.07 -0.13 1.04 -2.16 0.00 0.00 0.00 175.10 173.91 2jys s PRO 33 N -1.02 4.61 0.58 2.72 0.04 -1.25 -0.97 135.00 139.71 2jys s PRO 33 Ca -0.03 1.56 0.36 0.00 0.04 0.00 0.00 61.00 62.93 2jys s PRO 33 Cb -0.07 -3.36 1.32 0.00 0.04 0.00 0.00 34.50 32.44 2jys s PRO 33 CO 0.00 0.07 1.50 1.49 0.04 0.00 0.00 177.00 180.10 2jys h GLU 34 N 5.82 0.00 -1.02 4.56 4.57 -1.79 0.36 114.58 127.07 2jys h GLU 34 Ca -0.43 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 58.02 2jys h GLU 34 Cb 1.21 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.68 2jys h GLU 34 CO 0.74 0.00 0.62 0.00 -1.18 0.00 0.00 179.01 179.18 2jys h ALA 35 N 0.87 1.94 -0.01 2.92 0.00 -1.90 1.06 119.26 124.14 2jys h ALA 35 Ca 0.63 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.66 2jys h ALA 35 Cb 3.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.84 2jys h ALA 35 CO -0.01 -0.42 -0.33 1.19 0.00 0.00 0.00 179.25 179.68 2jys n PHE 36 N -4.85 0.00 0.47 0.00 3.72 0.12 -3.82 117.46 113.10 2jys n PHE 36 Ca 0.28 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.75 2jys n PHE 36 Cb 0.83 -0.11 0.09 0.00 -0.94 0.00 0.00 39.48 39.35 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 -0.63 2.40 0.08 4.37 4.32 0.32 -4.50 117.00 123.38 2jys n LEU 37 Ca 0.11 -1.17 0.20 0.00 -0.02 0.00 0.00 56.01 55.13 2jys n LEU 37 Cb 0.37 -0.05 0.69 0.00 -1.62 0.00 0.00 43.42 42.80 2jys n LEU 37 CO 0.27 0.47 1.18 -0.33 -1.22 0.00 0.00 177.39 177.77 2jys h GLU 38 N 2.87 0.00 -0.01 3.23 5.08 -0.42 0.33 114.58 125.65 2jys h GLU 38 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2jys h GLU 38 Cb 0.65 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.79 2jys h GLU 38 CO 0.00 0.00 -0.65 -0.25 -1.00 0.00 0.00 179.01 177.11 2jys n ASP 39 N -3.49 1.54 -4.81 1.42 8.00 -1.26 -5.05 116.55 112.90 2jys n ASP 39 Ca 0.08 -3.39 -0.26 0.00 0.71 0.00 0.00 54.79 51.93 2jys n ASP 39 Cb 0.74 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.38 2.94 -0.12 -1.24 0.41 0.11 -5.11 118.70 113.31 2jys s GLU 40 Ca 0.37 -0.84 0.02 0.00 -0.41 0.00 0.00 54.97 54.11 2jys s GLU 40 Cb 0.38 -2.67 -0.00 0.00 -1.78 0.00 0.00 34.13 30.05 2jys s GLU 40 CO -0.10 0.49 -0.19 1.03 -0.49 0.00 0.00 175.26 176.00 2jys s ARG 41 N -3.09 3.17 -0.12 1.61 0.52 -1.26 -5.03 118.95 114.74 2jys s ARG 41 Ca 0.31 -0.80 -0.29 0.00 -0.52 0.00 0.00 55.73 54.43 2jys s ARG 41 Cb -0.10 -2.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 2jys s ARG 41 CO 0.24 0.14 1.46 -1.25 0.02 0.00 0.00 175.30 175.91 2jys s PRO 42 N 0.47 4.17 0.31 3.54 0.04 -1.26 -4.49 135.00 137.79 2jys s PRO 42 Ca -0.13 1.89 0.16 0.00 0.04 0.00 0.00 61.00 62.95 2jys s PRO 42 Cb -0.17 -3.88 0.38 0.00 0.04 0.00 0.00 34.50 30.86 2jys s PRO 42 CO 0.05 -0.82 1.59 -0.84 0.04 0.00 0.00 177.00 177.02 2jys h ILE 43 N 5.59 0.99 -3.48 0.56 3.07 -1.83 -3.46 117.51 118.95 2jys h ILE 43 Ca -0.33 -1.97 -0.13 0.00 1.55 0.00 0.00 64.86 63.98 2jys h ILE 43 Cb 1.14 2.19 -0.20 0.00 -0.27 0.00 0.00 36.82 39.69 2jys h ILE 43 CO 0.97 0.48 -0.45 -1.58 -1.05 0.00 0.00 178.15 176.52 2jys s GLN 44 N -3.31 0.55 0.21 0.16 0.74 -1.23 -5.03 119.66 111.75 2jys s GLN 44 Ca 0.01 -0.44 0.11 0.00 0.05 0.00 0.00 55.36 55.09 2jys s GLN 44 Cb 0.10 0.23 -0.05 0.00 1.10 0.00 0.00 33.01 34.39 2jys s GLN 44 CO 0.72 -0.14 -0.22 0.95 -0.55 0.00 0.00 175.29 176.06 2jys s THR 45 N -1.67 2.28 -0.09 -0.34 -4.23 -1.26 0.68 115.64 111.01 2jys s THR 45 Ca -0.12 -2.12 -0.10 0.00 -1.18 0.00 0.00 61.69 58.17 2jys s THR 45 Cb -0.06 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.69 2jys s THR 45 CO 0.01 -0.24 0.26 -0.04 -0.54 0.00 0.00 174.62 174.07 2jys s MET 46 N -2.94 0.36 -0.19 3.99 -1.94 0.16 -4.87 119.30 113.87 2jys s MET 46 Ca 0.22 0.28 -0.11 0.00 -1.71 0.00 0.00 55.69 54.37 2jys s MET 46 Cb -0.07 0.17 -0.05 0.00 2.01 0.00 0.00 34.83 36.89 2jys s MET 46 CO 0.11 -0.05 0.18 -1.17 -0.01 0.00 0.00 175.02 174.07 2jys s LEU 47 N -0.08 4.22 -0.11 -0.03 2.96 -1.26 -0.48 118.68 123.90 2jys s LEU 47 Ca -0.02 0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 2jys s LEU 47 Cb -0.03 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2jys s LEU 47 CO 0.01 0.16 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.38 2jys s ILE 48 N 0.38 1.70 -0.22 6.68 1.01 0.11 -4.88 121.20 125.99 2jys s ILE 48 Ca 0.11 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 2jys s ILE 48 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2jys s ILE 48 CO -0.00 0.48 0.11 -0.75 0.00 0.00 0.00 174.94 174.78 2jys s LYS 49 N 0.75 3.98 0.00 2.79 2.20 -1.26 0.13 119.74 128.33 2jys s LYS 49 Ca -0.11 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2jys s LYS 49 Cb -0.16 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2jys s LYS 49 CO 0.02 0.11 0.00 0.25 -0.36 0.00 0.00 175.35 175.37 2jys n THR 50 N 4.07 0.00 -0.02 3.43 -2.24 0.05 -4.90 114.28 114.68 2jys n THR 50 Ca -0.16 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.46 2jys n THR 50 Cb 0.52 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.55 1.62 -0.90 2.28 1.08 -2.01 -3.30 117.51 116.84 2jys h ILE 51 Ca 0.00 -2.28 0.06 0.00 -0.39 0.00 0.00 64.86 62.24 2jys h ILE 51 Cb 0.00 3.12 -0.06 0.00 -3.07 0.00 0.00 36.82 36.81 2jys h ILE 51 CO 0.00 0.62 0.57 0.45 -0.69 0.00 0.00 178.15 179.10 2jys h HIS 52 N -0.62 1.05 0.00 1.37 3.86 -2.03 -3.47 115.15 115.31 2jys h HIS 52 Ca -0.06 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2jys h HIS 52 Cb 1.22 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2jys h HIS 52 CO 0.22 0.55 0.00 0.41 0.86 0.00 0.00 177.93 179.96 2jys n GLY 53 N -1.34 -1.21 3.78 2.45 0.00 -1.24 -5.14 105.19 102.49 2jys n GLY 53 Ca 0.13 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.29 4.56 -0.00 1.61 2.02 -1.26 -0.77 118.70 124.57 2jys s GLU 54 Ca 0.00 1.16 0.06 0.00 0.02 0.00 0.00 54.97 56.20 2jys s GLU 54 Cb 0.00 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 2jys s GLU 54 CO 0.00 0.57 -0.18 0.15 0.02 0.00 0.00 175.26 175.81 2jys s LYS 55 N -1.18 1.44 -0.31 1.61 1.02 0.35 -4.87 119.74 117.80 2jys s LYS 55 Ca 0.36 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 2jys s LYS 55 Cb -0.23 -1.42 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 2jys s LYS 55 CO 0.26 0.38 0.21 -1.14 -0.92 0.00 0.00 175.35 174.14 2jys s GLN 56 N -0.57 3.63 -0.18 1.68 0.74 -1.26 0.08 119.66 123.79 2jys s GLN 56 Ca 0.07 -0.54 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 2jys s GLN 56 Cb -0.07 -3.72 -0.01 0.00 1.10 0.00 0.00 33.01 30.31 2jys s GLN 56 CO -0.00 -0.35 -0.08 -0.65 -0.55 0.00 0.00 175.29 173.66 2jys s GLN 57 N 1.72 3.41 0.19 1.67 -1.52 0.37 -4.92 119.66 120.58 2jys s GLN 57 Ca 0.06 -0.64 0.07 0.00 -1.95 0.00 0.00 55.36 52.90 2jys s GLN 57 Cb -0.17 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.75 2jys s GLN 57 CO 0.10 0.02 0.05 -0.51 -0.25 0.00 0.00 175.29 174.70 2jys s ASP 58 N 0.89 4.98 -0.06 5.90 1.01 -1.26 0.39 116.67 128.52 2jys s ASP 58 Ca -0.02 -0.36 -0.04 0.00 0.71 0.00 0.00 52.55 52.85 2jys s ASP 58 Cb -0.15 -1.13 -0.04 0.00 1.01 0.00 0.00 42.92 42.62 2jys s ASP 58 CO 0.01 0.06 0.12 -0.69 0.21 0.00 0.00 175.17 174.88 2jys s VAL 59 N -1.86 5.16 -0.06 -1.27 1.01 0.22 -4.60 120.40 119.01 2jys s VAL 59 Ca 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2jys s VAL 59 Cb -0.09 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2jys s VAL 59 CO 0.20 0.48 -0.09 -0.31 0.00 0.00 0.00 175.10 175.39 2jys s TYR 60 N -1.13 1.14 -0.47 5.22 1.51 -0.69 -2.27 117.35 120.66 2jys s TYR 60 Ca 0.20 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.68 2jys s TYR 60 Cb -0.12 -0.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.88 2jys s TYR 60 CO 0.10 -0.25 0.57 -0.47 -1.11 0.00 0.00 175.55 174.40 2jys s TYR 61 N 0.82 3.09 0.43 2.71 5.04 -1.26 0.13 117.35 128.31 2jys s TYR 61 Ca -0.12 -0.39 0.06 0.00 -2.44 0.00 0.00 57.07 54.18 2jys s TYR 61 Cb -0.15 -3.31 -0.06 0.00 0.35 0.00 0.00 41.96 38.79 2jys s TYR 61 CO 0.02 -0.90 0.07 -0.51 -1.34 0.00 0.00 175.55 172.88 2jys s LEU 62 N 2.52 2.86 -0.15 6.97 1.43 -0.80 -4.95 118.68 126.56 2jys s LEU 62 Ca 0.16 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2jys s LEU 62 Cb -0.18 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.04 2jys s LEU 62 CO 0.14 -0.54 -0.12 -0.89 0.23 0.00 0.00 176.35 175.17 2jys s THR 63 N -2.70 1.43 0.05 5.49 2.01 -1.26 -2.00 115.64 118.64 2jys s THR 63 Ca 0.33 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2jys s THR 63 Cb 0.07 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 2jys s THR 63 CO 0.17 0.38 -0.01 0.72 -0.69 0.00 0.00 174.62 175.19 2jys s PHE 64 N 1.54 0.43 -0.04 4.92 -0.71 -0.81 -4.27 117.98 119.04 2jys s PHE 64 Ca 0.04 -0.90 -0.22 0.00 -1.04 0.00 0.00 56.93 54.80 2jys s PHE 64 Cb -0.13 -0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 2jys s PHE 64 CO -0.10 -0.35 0.66 0.15 -1.34 0.00 0.00 175.22 174.25 2jys s LYS 65 N -3.36 4.41 -0.35 1.99 1.02 0.07 -1.03 119.74 122.49 2jys s LYS 65 Ca 0.02 0.83 -0.04 0.00 0.02 0.00 0.00 55.97 56.80 2jys s LYS 65 Cb 0.04 -3.41 0.06 0.00 -0.52 0.00 0.00 37.83 34.01 2jys s LYS 65 CO -0.08 0.19 0.10 0.08 -0.92 0.00 0.00 175.35 174.72 2jys s VAL 66 N 0.39 3.40 -1.30 3.17 1.01 0.23 -0.90 120.40 126.41 2jys s VAL 66 Ca 0.35 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.81 2jys s VAL 66 Cb -0.18 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2jys s VAL 66 CO 0.18 -0.31 0.54 0.00 0.00 0.00 0.00 175.10 175.51 2jys n GLN 67 N 4.70 -4.27 -2.20 2.72 6.02 -0.83 -2.28 117.38 121.24 2jys n GLN 67 Ca -0.10 0.76 -0.00 0.00 -0.01 0.00 0.00 57.00 57.65 2jys n GLN 67 Cb 0.43 -5.32 0.00 0.00 1.02 0.00 0.00 30.24 26.37 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 -1.42 0.58 2.69 1.08 0.00 -1.26 -5.04 105.19 101.81 2jys n GLY 68 Ca -0.09 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.40 0.03 0.07 1.61 0.52 -0.96 -5.11 118.95 110.71 2jys s ARG 69 Ca 0.00 0.22 -0.31 0.00 -0.52 0.00 0.00 55.73 55.13 2jys s ARG 69 Cb -0.00 -1.04 -0.09 0.00 0.52 0.00 0.00 34.95 34.34 2jys s ARG 69 CO 0.00 -0.49 1.83 0.21 0.02 0.00 0.00 175.30 176.87 2jys s LYS 70 N 2.20 4.15 -0.07 3.54 2.20 -1.26 0.78 119.74 131.28 2jys s LYS 70 Ca 0.04 2.52 -0.04 0.00 -0.36 0.00 0.00 55.97 58.13 2jys s LYS 70 Cb -0.14 -3.81 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 2jys s LYS 70 CO -0.07 -0.86 0.17 0.08 -0.36 0.00 0.00 175.35 174.31 2jys s VAL 71 N 3.37 -0.03 -0.09 4.02 1.01 -0.20 -4.88 120.40 123.60 2jys s VAL 71 Ca 0.81 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 2jys s VAL 71 Cb -0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2jys s VAL 71 CO 0.37 0.05 -0.04 -1.61 0.00 0.00 0.00 175.10 173.87 2jys s GLU 72 N 0.92 3.01 0.22 2.72 2.02 -1.26 -1.92 118.70 124.41 2jys s GLU 72 Ca -0.07 -0.50 -0.22 0.00 0.02 0.00 0.00 54.97 54.20 2jys s GLU 72 Cb -0.09 -2.72 0.04 0.00 0.10 0.00 0.00 34.13 31.47 2jys s GLU 72 CO -0.05 0.59 0.68 0.00 0.02 0.00 0.00 175.26 176.50 2jys s ALA 73 N -0.60 -1.39 -0.02 5.21 0.00 -0.85 -5.00 121.76 119.11 2jys s ALA 73 Ca 0.09 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 2jys s ALA 73 Cb -0.12 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2jys s ALA 73 CO 0.02 -0.92 0.92 -1.21 0.00 0.00 0.00 175.76 174.57 2jys s GLU 74 N -3.82 4.53 0.24 0.00 2.02 -1.26 -1.90 118.70 118.50 2jys s GLU 74 Ca 0.07 1.30 0.08 0.00 0.02 0.00 0.00 54.97 56.45 2jys s GLU 74 Cb -0.04 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 2jys s GLU 74 CO -0.02 -0.03 -0.14 0.14 0.02 0.00 0.00 175.26 175.23 2jys s VAL 75 N 0.99 1.89 0.01 2.63 -7.23 0.36 -2.99 120.40 116.06 2jys s VAL 75 Ca 0.49 -2.24 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 2jys s VAL 75 Cb -0.20 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2jys s VAL 75 CO 0.26 -0.50 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.76 2jys s LEU 76 N -3.38 3.35 0.11 1.32 1.43 -0.85 -1.71 118.68 118.96 2jys s LEU 76 Ca 0.25 -0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.96 2jys s LEU 76 Cb -0.01 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 2jys s LEU 76 CO 0.10 0.27 0.96 0.00 0.23 0.00 0.00 176.35 177.91 2jys s ALA 77 N -1.07 3.25 0.01 4.21 0.00 -1.23 -0.58 121.76 126.35 2jys s ALA 77 Ca 0.19 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 2jys s ALA 77 Cb -0.11 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 2jys s ALA 77 CO 0.10 -0.02 0.05 0.45 0.00 0.00 0.00 175.76 176.34 2jys s SER 78 N -0.03 0.13 0.00 0.00 0.15 -0.15 -4.76 113.70 109.04 2jys s SER 78 Ca 0.47 -0.34 0.16 0.00 0.70 0.00 0.00 55.95 56.93 2jys s SER 78 Cb -0.23 0.15 0.94 0.00 -1.71 0.00 0.00 66.02 65.17 2jys s SER 78 CO 0.30 -0.32 1.36 -0.81 1.20 0.00 0.00 173.24 174.96 2jys n PRO 79 N 1.58 0.51 -0.76 5.44 -0.04 -1.26 -2.52 135.00 137.95 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 -1.49 0.26 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.10 -0.15 0.54 2.02 -1.26 -4.96 117.35 111.64 2jys s TYR 80 Ca 0.24 0.58 0.17 0.00 -0.37 0.00 0.00 57.07 57.68 2jys s TYR 80 Cb 0.11 -3.20 0.32 0.00 -0.40 0.00 0.00 41.96 38.79 2jys s TYR 80 CO 0.18 -4.33 1.17 -0.40 -1.57 0.00 0.00 175.55 170.60 2jys n ASP 81 N -5.13 2.23 -2.10 2.29 5.68 -1.26 -4.73 116.55 113.52 2jys n ASP 81 Ca 0.12 -3.28 -0.09 0.00 -0.50 0.00 0.00 54.79 51.05 2jys n ASP 81 Cb 0.59 -0.45 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 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 -1.35 -0.14 -3.82 2.11 4.11 -1.26 -4.99 117.16 111.81 2jys n TYR 82 Ca 0.17 -1.05 -0.28 0.00 -0.00 0.00 0.00 57.90 56.74 2jys n TYR 82 Cb 0.66 0.06 -0.16 0.00 -0.00 0.00 0.00 39.34 39.89 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 -2.35 0.85 0.13 -3.48 1.01 -1.23 -3.93 121.20 112.21 2jys s ILE 83 Ca 0.12 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 2jys s ILE 83 Cb 0.01 -1.20 -0.06 0.00 0.01 0.00 0.00 42.46 41.22 2jys s ILE 83 CO 0.09 -0.06 0.97 -0.22 0.00 0.00 0.00 174.94 175.72 2jys s LEU 84 N 1.72 4.51 -0.14 2.97 0.20 -0.56 -0.61 118.68 126.78 2jys s LEU 84 Ca -0.01 1.84 -0.10 0.00 0.69 0.00 0.00 54.13 56.55 2jys s LEU 84 Cb -0.16 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.96 2jys s LEU 84 CO -0.07 -0.06 0.19 -0.76 -0.29 0.00 0.00 176.35 175.36 2jys s LEU 85 N -0.15 4.31 0.14 -0.68 2.01 0.23 -0.76 118.68 123.78 2jys s LEU 85 Ca 0.47 0.44 -0.22 0.00 0.01 0.00 0.00 54.13 54.82 2jys s LEU 85 Cb -0.24 -2.18 -0.08 0.00 0.01 0.00 0.00 46.19 43.70 2jys s LEU 85 CO 0.31 0.26 0.69 0.21 1.01 0.00 0.00 176.35 178.83 2jys s ASN 86 N -0.26 7.22 0.27 2.29 2.47 -1.26 -3.18 114.94 122.48 2jys s ASN 86 Ca 0.14 1.47 0.02 0.00 0.42 0.00 0.00 52.86 54.91 2jys s ASN 86 Cb -0.12 -2.44 0.38 0.00 -1.45 0.00 0.00 41.25 37.62 2jys s ASN 86 CO 0.03 0.20 1.70 1.55 -3.72 0.00 0.00 177.10 176.86 2jys h PRO 87 N 4.24 0.46 -0.37 0.43 0.13 -1.76 -2.56 132.00 132.58 2jys h PRO 87 Ca -0.48 -0.19 -0.09 0.00 -0.87 0.00 0.00 66.00 64.37 2jys h PRO 87 Cb 1.21 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2jys h PRO 87 CO 0.65 0.72 -0.14 0.77 -0.23 0.00 0.00 178.00 179.77 2jys h SER 88 N 0.40 0.64 0.44 1.44 0.02 -1.90 -2.58 113.55 112.03 2jys h SER 88 Ca 0.05 -0.19 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 2jys h SER 88 Cb 0.73 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2jys h SER 88 CO 0.06 0.80 -0.63 0.44 -1.14 0.00 0.00 176.83 176.36 2jys h ASP 89 N 0.59 0.20 -2.64 3.07 3.32 -1.89 -3.33 116.42 115.75 2jys h ASP 89 Ca 0.10 -0.12 -0.67 0.00 0.02 0.00 0.00 57.03 56.36 2jys h ASP 89 Cb 0.58 -0.06 -0.38 0.00 0.22 0.00 0.00 39.33 39.69 2jys h ASP 89 CO 0.04 0.78 -0.20 1.33 -1.72 0.00 0.00 179.24 179.47 2jys n VAL 90 N -3.84 3.07 0.25 -1.35 0.24 -0.98 -4.85 118.33 110.87 2jys n VAL 90 Ca -0.02 -5.33 0.14 0.00 -2.04 0.00 0.00 64.34 57.08 2jys n VAL 90 Cb 0.63 -2.15 0.56 0.00 -1.47 0.00 0.00 33.84 31.41 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 -1.65 -2.98 132.00 139.73 2jys h PRO 91 Ca 0.19 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.16 2jys h PRO 91 Cb 0.69 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2jys h PRO 91 CO 0.94 0.11 -0.74 0.11 -0.23 0.00 0.00 178.00 178.19 2jys h TRP 92 N 0.00 0.05 -0.58 1.56 0.09 -1.89 -3.10 115.95 112.08 2jys h TRP 92 Ca -0.00 -0.02 0.02 0.00 0.09 0.00 0.00 58.89 58.98 2jys h TRP 92 Cb 0.64 -0.01 -0.03 0.00 0.08 0.00 0.00 29.16 29.84 2jys h TRP 92 CO 0.00 0.76 0.38 -0.07 0.09 0.00 0.00 178.44 179.60 2jys h LEU 93 N 0.02 0.60 -1.09 0.11 3.38 -1.90 -1.44 115.31 114.99 2jys h LEU 93 Ca -0.01 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2jys h LEU 93 Cb 1.31 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2jys h LEU 93 CO 0.10 0.42 0.61 0.24 0.09 0.00 0.00 178.44 179.90 2jys h MET 94 N 0.70 1.14 -7.07 1.13 2.86 -1.67 -3.41 114.93 108.60 2jys h MET 94 Ca 0.23 -0.07 -0.45 0.00 -2.06 0.00 0.00 59.70 57.35 2jys h MET 94 Cb 0.04 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 2jys h MET 94 CO -0.06 0.75 0.34 0.15 1.06 0.00 0.00 176.91 179.15 2jys s LYS 95 N -5.99 4.18 -0.66 1.72 -0.14 -0.54 -4.29 119.74 114.02 2jys s LYS 95 Ca -0.12 1.08 -0.09 0.00 -1.36 0.00 0.00 55.97 55.49 2jys s LYS 95 Cb 0.19 -2.18 0.01 0.00 -1.68 0.00 0.00 37.83 34.17 2jys s LYS 95 CO 0.81 -0.06 0.65 1.17 -0.76 0.00 0.00 175.35 177.16 2jys n LYS 96 N -0.76 -1.68 -2.27 1.68 4.81 -1.26 -4.91 118.16 113.77 2jys n LYS 96 Ca 0.07 1.43 -0.38 0.00 -0.87 0.00 0.00 58.31 58.56 2jys n LYS 96 Cb 0.54 -4.36 -0.01 0.00 0.02 0.00 0.00 35.03 31.22 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 -3.35 3.89 0.00 1.64 0.04 -1.26 -4.99 135.00 130.97 2jys s PRO 97 Ca 0.10 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2jys s PRO 97 Cb -0.02 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2jys s PRO 97 CO 0.81 -0.45 0.00 1.28 0.04 0.00 0.00 177.00 178.68