#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 3.31 0.74 -1.09 0.04 -1.26 -4.90 135.00 131.85 2jys s PRO 9 Ca 0.00 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 2jys s PRO 9 Cb 0.00 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.69 2jys s PRO 9 CO 0.00 -0.89 1.01 1.28 0.04 0.00 0.00 177.00 178.44 2jys n LEU 10 N -1.29 0.00 -4.37 -3.56 4.77 0.38 -4.78 117.00 108.16 2jys n LEU 10 Ca 0.12 -1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 54.61 2jys n LEU 10 Cb 0.50 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.68 2jys n LEU 10 CO 0.43 -1.21 -0.53 -1.61 -1.33 0.00 0.00 177.39 173.14 2jys s GLU 11 N -5.20 2.25 0.03 3.23 8.01 -1.26 -1.72 118.70 124.05 2jys s GLU 11 Ca 0.58 -0.85 -0.12 0.00 0.01 0.00 0.00 54.97 54.58 2jys s GLU 11 Cb -0.02 -2.16 0.01 0.00 -4.31 0.00 0.00 34.13 27.66 2jys s GLU 11 CO 0.40 0.58 0.27 0.00 0.01 0.00 0.00 175.26 176.52 2jys s ALA 12 N -0.64 -0.59 -0.12 5.21 0.00 -0.81 -2.66 121.76 122.15 2jys s ALA 12 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 2jys s ALA 12 Cb -0.10 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2jys s ALA 12 CO -0.00 -0.37 -0.09 -2.00 0.00 0.00 0.00 175.76 173.30 2jys s GLU 13 N -2.35 1.69 -0.14 0.00 2.12 -0.60 0.10 118.70 119.52 2jys s GLU 13 Ca -0.07 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2jys s GLU 13 Cb -0.02 -1.68 -0.01 0.00 0.26 0.00 0.00 34.13 32.68 2jys s GLU 13 CO -0.02 -0.25 -0.15 0.42 -0.54 0.00 0.00 175.26 174.72 2jys s ILE 14 N 1.62 2.79 -1.99 -3.70 1.01 0.15 -0.44 121.20 120.63 2jys s ILE 14 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.95 2jys s ILE 14 Cb -0.13 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.18 2jys s ILE 14 CO -0.08 0.52 0.00 0.29 0.00 0.00 0.00 174.94 175.67 2jys n LYS 15 N 3.78 -1.48 -0.26 2.79 5.02 -1.26 -0.31 118.16 126.44 2jys n LYS 15 Ca -0.19 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2jys n LYS 15 Cb 0.52 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 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 -0.69 1.21 3.70 0.72 0.00 -1.26 -5.02 105.19 103.84 2jys n GLY 16 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.79 5.19 -0.24 2.61 2.01 0.58 -5.04 115.64 117.96 2jys s THR 17 Ca 0.00 0.83 -0.22 0.00 0.31 0.00 0.00 61.69 62.60 2jys s THR 17 Cb 0.00 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 2jys s THR 17 CO 0.00 0.29 0.73 -0.75 -0.69 0.00 0.00 174.62 174.20 2jys s LYS 18 N 0.99 4.16 0.23 4.92 2.20 -1.26 0.30 119.74 131.28 2jys s LYS 18 Ca 0.22 0.76 0.05 0.00 -0.36 0.00 0.00 55.97 56.63 2jys s LYS 18 Cb -0.15 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 2jys s LYS 18 CO 0.09 -0.44 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.09 2jys s LEU 19 N 2.59 2.32 0.49 5.43 2.01 0.11 -4.97 118.68 126.66 2jys s LEU 19 Ca 0.31 -1.18 -0.12 0.00 0.01 0.00 0.00 54.13 53.14 2jys s LEU 19 Cb -0.15 -0.39 -0.06 0.00 0.01 0.00 0.00 46.19 45.59 2jys s LEU 19 CO 0.08 -0.44 0.89 -0.54 1.01 0.00 0.00 176.35 177.36 2jys s LYS 20 N -3.81 3.79 0.12 1.70 1.02 -1.26 -1.93 119.74 119.38 2jys s LYS 20 Ca 0.27 0.67 -0.06 0.00 0.02 0.00 0.00 55.97 56.87 2jys s LYS 20 Cb 0.05 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.09 2jys s LYS 20 CO 0.09 -0.22 0.17 0.00 -0.92 0.00 0.00 175.35 174.46 2jys s ALA 21 N -2.63 0.19 -0.09 5.17 0.00 -0.70 -2.82 121.76 120.89 2jys s ALA 21 Ca 0.54 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.54 2jys s ALA 21 Cb -0.10 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.72 2jys s ALA 21 CO 0.36 -0.54 -0.15 -1.01 0.00 0.00 0.00 175.76 174.42 2jys s HIS 22 N -3.95 1.85 -0.25 0.00 3.76 0.87 0.14 115.29 117.71 2jys s HIS 22 Ca 0.14 -0.78 -0.29 0.00 -0.15 0.00 0.00 55.06 53.98 2jys s HIS 22 Cb 0.05 -1.32 0.01 0.00 1.11 0.00 0.00 32.58 32.43 2jys s HIS 22 CO -0.04 -0.39 1.12 -0.46 -0.85 0.00 0.00 174.74 174.12 2jys s TRP 23 N 0.78 3.13 -0.29 1.40 -0.00 -1.26 -1.94 118.94 120.75 2jys s TRP 23 Ca -0.11 1.24 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 2jys s TRP 23 Cb -0.16 -3.50 0.09 0.00 -0.00 0.00 0.00 33.47 29.90 2jys s TRP 23 CO 0.02 -0.92 0.05 0.34 -0.00 0.00 0.00 176.95 176.44 2jys s ASP 24 N 1.63 4.07 0.52 5.86 2.15 -1.18 -4.94 116.67 124.77 2jys s ASP 24 Ca 0.48 -1.59 0.18 0.00 0.43 0.00 0.00 52.55 52.05 2jys s ASP 24 Cb -0.16 -1.08 1.30 0.00 -0.30 0.00 0.00 42.92 42.69 2jys s ASP 24 CO 0.12 -0.36 2.13 0.77 -0.17 0.00 0.00 175.17 177.66 2jys h SER 25 N 7.97 0.00 -0.50 -0.34 4.64 -1.94 -1.34 113.55 122.04 2jys h SER 25 Ca -0.13 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2jys h SER 25 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2jys h SER 25 CO 0.46 0.04 0.33 1.23 -0.87 0.00 0.00 176.83 178.02 2jys h GLY 26 N 0.12 0.64 -4.09 -0.77 0.00 -1.94 -3.42 103.07 93.61 2jys h GLY 26 Ca -0.00 -0.22 -0.52 0.00 0.00 0.00 0.00 47.33 46.58 2jys h GLY 26 CO 0.00 0.20 0.66 0.00 0.00 0.00 0.00 176.54 177.40 2jys s ALA 27 N -5.51 3.53 -0.58 3.60 0.00 -0.50 -4.91 121.76 117.39 2jys s ALA 27 Ca -0.08 1.19 0.23 0.00 0.00 0.00 0.00 51.96 53.29 2jys s ALA 27 Cb 0.18 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2jys s ALA 27 CO 0.74 -0.59 0.94 2.41 0.00 0.00 0.00 175.76 179.26 2jys n THR 28 N 1.87 0.13 -3.97 0.00 -1.04 -1.26 -4.24 114.28 105.77 2jys n THR 28 Ca 0.04 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.05 61.71 2jys n THR 28 Cb 0.42 0.28 -0.10 0.00 -1.82 0.00 0.00 70.33 69.11 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 -3.21 0.15 0.32 12.58 2.07 -1.26 -4.79 121.20 127.05 2jys s ILE 29 Ca 0.03 -1.24 -0.29 0.00 -1.41 0.00 0.00 60.65 57.73 2jys s ILE 29 Cb 0.14 -0.96 -0.11 0.00 0.13 0.00 0.00 42.46 41.66 2jys s ILE 29 CO 0.82 -0.69 1.54 -0.89 -1.91 0.00 0.00 174.94 173.81 2jys s THR 30 N -2.80 2.13 -0.13 4.00 2.01 -1.24 -4.48 115.64 115.12 2jys s THR 30 Ca -0.03 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.10 2jys s THR 30 Cb -0.00 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.44 2jys s THR 30 CO -0.06 0.02 -0.21 0.00 -0.69 0.00 0.00 174.62 173.68 2jys s VAL 32 N 0.67 1.86 0.06 0.00 -7.23 0.22 0.13 120.40 116.12 2jys s VAL 32 Ca -0.10 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.54 2jys s VAL 32 Cb -0.16 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2jys s VAL 32 CO 0.02 -0.47 0.99 -2.16 -0.31 0.00 0.00 175.10 173.17 2jys s PRO 33 N -3.64 4.61 0.59 4.82 0.04 -1.24 0.48 135.00 140.66 2jys s PRO 33 Ca 0.26 1.47 0.32 0.00 0.04 0.00 0.00 61.00 63.09 2jys s PRO 33 Cb -0.00 -3.41 1.31 0.00 0.04 0.00 0.00 34.50 32.44 2jys s PRO 33 CO 0.10 0.04 1.61 1.49 0.04 0.00 0.00 177.00 180.28 2jys h GLU 34 N 6.25 0.00 -0.98 4.56 4.81 -1.80 0.41 114.58 127.83 2jys h GLU 34 Ca -0.42 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.04 2jys h GLU 34 Cb 1.22 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.51 2jys h GLU 34 CO 0.74 0.00 0.63 0.00 -0.73 0.00 0.00 179.01 179.66 2jys h ALA 35 N 1.03 2.16 -0.01 2.92 0.00 -1.91 1.01 119.26 124.47 2jys h ALA 35 Ca 0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2jys h ALA 35 Cb 2.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.15 2jys h ALA 35 CO -0.00 -0.51 -0.14 1.19 0.00 0.00 0.00 179.25 179.78 2jys n PHE 36 N -4.58 0.00 0.51 0.00 3.72 0.14 -3.75 117.46 113.49 2jys n PHE 36 Ca 0.22 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.69 2jys n PHE 36 Cb 0.76 -0.06 0.06 0.00 -0.94 0.00 0.00 39.48 39.30 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 -0.16 2.10 0.05 4.37 4.32 0.33 -4.51 117.00 123.49 2jys n LEU 37 Ca 0.15 -1.04 0.22 0.00 -0.02 0.00 0.00 56.01 55.32 2jys n LEU 37 Cb 0.37 -0.01 0.71 0.00 -1.62 0.00 0.00 43.42 42.87 2jys n LEU 37 CO 0.21 0.40 1.19 -0.33 -1.22 0.00 0.00 177.39 177.64 2jys h GLU 38 N 2.50 0.00 0.00 3.23 4.39 -1.00 0.29 114.58 123.99 2jys h GLU 38 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2jys h GLU 38 Cb 0.54 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 2jys h GLU 38 CO 0.00 0.00 -0.33 -0.25 -1.16 0.00 0.00 179.01 177.27 2jys n ASP 39 N -3.67 1.84 -4.96 1.42 8.00 -1.26 -5.04 116.55 112.88 2jys n ASP 39 Ca 0.09 -3.37 -0.21 0.00 0.71 0.00 0.00 54.79 52.02 2jys n ASP 39 Cb 0.73 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.74 3.34 -0.09 -1.24 0.41 0.10 -5.11 118.70 113.37 2jys s GLU 40 Ca 0.33 -0.83 0.03 0.00 -0.41 0.00 0.00 54.97 54.09 2jys s GLU 40 Cb 0.32 -2.85 0.01 0.00 -1.78 0.00 0.00 34.13 29.83 2jys s GLU 40 CO -0.03 0.36 -0.19 0.50 -0.49 0.00 0.00 175.26 175.41 2jys s ARG 41 N -4.00 2.53 -0.11 1.61 3.52 -1.26 -5.04 118.95 116.20 2jys s ARG 41 Ca 0.36 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 2jys s ARG 41 Cb -0.09 -1.99 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 2jys s ARG 41 CO 0.29 0.09 1.36 -1.25 -0.81 0.00 0.00 175.30 174.98 2jys s PRO 42 N 0.56 4.24 0.12 5.12 0.04 -1.26 -4.37 135.00 139.45 2jys s PRO 42 Ca -0.15 1.82 0.19 0.00 0.04 0.00 0.00 61.00 62.89 2jys s PRO 42 Cb -0.17 -3.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2jys s PRO 42 CO 0.05 -0.70 0.92 -0.84 0.04 0.00 0.00 177.00 176.47 2jys h ILE 43 N 5.40 0.30 -4.61 0.56 3.07 -1.86 -3.48 117.51 116.90 2jys h ILE 43 Ca -0.31 -1.60 -0.34 0.00 1.55 0.00 0.00 64.86 64.16 2jys h ILE 43 Cb 1.13 1.83 -0.13 0.00 -0.27 0.00 0.00 36.82 39.38 2jys h ILE 43 CO 0.95 0.17 -0.47 -1.10 -1.05 0.00 0.00 178.15 176.65 2jys s GLN 44 N -3.10 1.57 0.10 0.16 -0.21 -1.24 -5.02 119.66 111.92 2jys s GLN 44 Ca -0.02 -1.80 0.07 0.00 0.02 0.00 0.00 55.36 53.64 2jys s GLN 44 Cb 0.09 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.40 2jys s GLN 44 CO 0.80 -0.58 -0.19 0.95 -2.12 0.00 0.00 175.29 174.16 2jys s THR 45 N -3.68 1.55 0.03 -0.19 -4.23 -1.26 0.69 115.64 108.55 2jys s THR 45 Ca 0.38 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2jys s THR 45 Cb 0.03 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.41 2jys s THR 45 CO 0.20 -0.12 -0.11 -0.32 -0.54 0.00 0.00 174.62 173.72 2jys s MET 46 N -1.92 0.76 -0.17 3.99 1.75 0.12 -4.72 119.30 119.11 2jys s MET 46 Ca 0.05 -0.66 -0.08 0.00 -1.25 0.00 0.00 55.69 53.75 2jys s MET 46 Cb -0.10 -0.71 -0.04 0.00 2.84 0.00 0.00 34.83 36.82 2jys s MET 46 CO 0.04 0.17 0.09 -0.51 -0.65 0.00 0.00 175.02 174.16 2jys s LEU 47 N -1.07 4.02 -0.05 4.11 1.02 -1.26 -0.76 118.68 124.69 2jys s LEU 47 Ca -0.01 0.20 0.05 0.00 0.02 0.00 0.00 54.13 54.40 2jys s LEU 47 Cb -0.07 -2.01 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 2jys s LEU 47 CO 0.01 0.24 -0.22 -0.63 0.02 0.00 0.00 176.35 175.76 2jys s ILE 48 N 0.01 1.81 -0.10 -0.59 1.01 0.27 -4.92 121.20 118.68 2jys s ILE 48 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2jys s ILE 48 Cb -0.12 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2jys s ILE 48 CO 0.00 0.51 -0.09 -0.54 0.00 0.00 0.00 174.94 174.83 2jys s LYS 49 N -0.07 3.03 0.18 2.79 1.02 -1.26 0.14 119.74 125.57 2jys s LYS 49 Ca -0.04 -0.59 0.07 0.00 0.02 0.00 0.00 55.97 55.43 2jys s LYS 49 Cb -0.13 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 2jys s LYS 49 CO 0.03 0.48 -0.15 0.95 -0.92 0.00 0.00 175.35 175.75 2jys s THR 50 N -0.33 1.64 0.32 2.17 -4.23 0.21 -4.88 115.64 110.53 2jys s THR 50 Ca 0.04 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2jys s THR 50 Cb -0.13 -1.89 0.29 0.00 1.34 0.00 0.00 72.50 72.11 2jys s THR 50 CO 0.02 -0.51 1.91 -0.29 -0.54 0.00 0.00 174.62 175.21 2jys h ILE 51 N 2.91 1.02 -0.53 2.99 6.09 -2.03 -1.21 117.51 126.75 2jys h ILE 51 Ca -0.39 -0.32 -0.11 0.00 -1.37 0.00 0.00 64.86 62.67 2jys h ILE 51 Cb 1.21 0.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 2jys h ILE 51 CO 0.58 0.17 -0.11 0.45 -3.07 0.00 0.00 178.15 176.16 2jys h HIS 52 N 0.93 1.11 -1.02 2.19 3.86 -2.04 -3.48 115.15 116.69 2jys h HIS 52 Ca 0.39 -0.23 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2jys h HIS 52 Cb 0.29 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 2jys h HIS 52 CO -0.00 1.03 0.01 0.41 0.86 0.00 0.00 177.93 180.24 2jys n GLY 53 N -0.29 0.40 3.76 2.45 0.00 -0.46 -5.14 105.19 105.91 2jys n GLY 53 Ca 0.02 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 4.08 -0.06 1.61 2.02 -1.26 0.65 118.70 123.74 2jys s GLU 54 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 54.96 2jys s GLU 54 Cb -0.00 -3.37 0.01 0.00 0.10 0.00 0.00 34.13 30.87 2jys s GLU 54 CO -0.00 0.38 -0.12 0.21 0.02 0.00 0.00 175.26 175.75 2jys s LYS 55 N 0.09 1.57 -0.04 1.61 2.47 0.38 -4.90 119.74 120.93 2jys s LYS 55 Ca 0.13 -0.40 0.02 0.00 -1.56 0.00 0.00 55.97 54.16 2jys s LYS 55 Cb -0.12 -1.33 -0.03 0.00 -1.46 0.00 0.00 37.83 34.89 2jys s LYS 55 CO 0.02 0.05 -0.09 -0.65 0.16 0.00 0.00 175.35 174.84 2jys s GLN 56 N 0.56 2.61 0.12 4.03 -0.21 -1.26 0.94 119.66 126.44 2jys s GLN 56 Ca -0.12 -0.65 0.04 0.00 0.02 0.00 0.00 55.36 54.65 2jys s GLN 56 Cb -0.14 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.32 2jys s GLN 56 CO 0.03 0.63 -0.10 -0.65 -2.12 0.00 0.00 175.29 173.08 2jys s GLN 57 N -1.02 0.95 0.08 2.91 -0.21 0.06 -4.89 119.66 117.55 2jys s GLN 57 Ca 0.14 -1.30 -0.16 0.00 0.02 0.00 0.00 55.36 54.06 2jys s GLN 57 Cb -0.11 -0.58 -0.06 0.00 1.00 0.00 0.00 33.01 33.25 2jys s GLN 57 CO 0.03 0.08 0.51 -0.51 -2.12 0.00 0.00 175.29 173.29 2jys s ASP 58 N -2.79 6.89 0.46 5.90 1.01 -1.26 0.16 116.67 127.04 2jys s ASP 58 Ca 0.11 1.10 -0.13 0.00 0.71 0.00 0.00 52.55 54.33 2jys s ASP 58 Cb -0.00 -2.30 -0.07 0.00 1.01 0.00 0.00 42.92 41.56 2jys s ASP 58 CO 0.00 0.22 0.87 -0.69 0.21 0.00 0.00 175.17 175.78 2jys s VAL 59 N -1.25 4.68 -0.04 -1.27 1.01 0.22 -4.66 120.40 119.09 2jys s VAL 59 Ca 0.31 0.87 0.01 0.00 0.00 0.00 0.00 61.98 63.18 2jys s VAL 59 Cb -0.17 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2jys s VAL 59 CO 0.18 -0.61 -0.03 -0.31 0.00 0.00 0.00 175.10 174.32 2jys s TYR 60 N -2.50 0.60 -0.39 5.22 1.51 -0.75 -2.47 117.35 118.56 2jys s TYR 60 Ca 0.54 -0.13 -0.17 0.00 -1.01 0.00 0.00 57.07 56.30 2jys s TYR 60 Cb -0.10 -0.57 0.01 0.00 -0.11 0.00 0.00 41.96 41.19 2jys s TYR 60 CO 0.32 -0.16 0.45 -0.47 -1.11 0.00 0.00 175.55 174.58 2jys s TYR 61 N 0.89 3.17 0.39 2.71 5.04 -1.26 0.16 117.35 128.45 2jys s TYR 61 Ca -0.11 -0.18 0.06 0.00 -2.44 0.00 0.00 57.07 54.40 2jys s TYR 61 Cb -0.14 -2.89 -0.07 0.00 0.35 0.00 0.00 41.96 39.20 2jys s TYR 61 CO -0.00 -0.63 0.02 -0.51 -1.34 0.00 0.00 175.55 173.09 2jys s LEU 62 N 2.22 2.71 -0.17 6.97 1.43 -0.78 -4.95 118.68 126.12 2jys s LEU 62 Ca 0.14 -1.38 0.01 0.00 -1.03 0.00 0.00 54.13 51.87 2jys s LEU 62 Cb -0.16 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2jys s LEU 62 CO 0.14 -0.49 -0.17 -0.89 0.23 0.00 0.00 176.35 175.16 2jys s THR 63 N -2.84 1.85 0.03 5.49 2.01 -1.26 -2.00 115.64 118.92 2jys s THR 63 Ca 0.35 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 2jys s THR 63 Cb 0.10 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.88 2jys s THR 63 CO 0.17 0.49 -0.01 0.72 -0.69 0.00 0.00 174.62 175.31 2jys s PHE 64 N 1.37 0.34 -0.01 4.92 -0.71 -0.79 -4.03 117.98 119.07 2jys s PHE 64 Ca 0.05 -0.72 -0.24 0.00 -1.04 0.00 0.00 56.93 54.98 2jys s PHE 64 Cb -0.13 -0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.38 2jys s PHE 64 CO -0.12 -0.29 0.72 0.15 -1.34 0.00 0.00 175.22 174.35 2jys s LYS 65 N -2.55 4.45 -0.44 1.99 1.02 0.42 -1.29 119.74 123.34 2jys s LYS 65 Ca -0.06 0.96 -0.07 0.00 0.02 0.00 0.00 55.97 56.82 2jys s LYS 65 Cb -0.02 -3.40 0.11 0.00 -0.52 0.00 0.00 37.83 34.00 2jys s LYS 65 CO -0.05 0.18 0.28 0.08 -0.92 0.00 0.00 175.35 174.92 2jys s VAL 66 N 0.36 3.89 -1.16 3.17 1.01 0.40 -1.55 120.40 126.52 2jys s VAL 66 Ca 0.38 -1.82 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 2jys s VAL 66 Cb -0.19 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2jys s VAL 66 CO 0.20 -0.70 0.48 0.00 0.00 0.00 0.00 175.10 175.09 2jys n GLN 67 N 4.80 -3.82 -1.33 2.72 6.02 -1.09 -2.40 117.38 122.29 2jys n GLN 67 Ca -0.06 0.68 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 2jys n GLN 67 Cb 0.41 -5.07 0.00 0.00 1.02 0.00 0.00 30.24 26.60 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 -1.35 0.69 2.78 1.08 0.00 -1.26 -5.05 105.19 102.08 2jys n GLY 68 Ca -0.08 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.83 0.79 -0.06 1.61 0.52 -1.01 -5.10 118.95 112.88 2jys s ARG 69 Ca 0.00 -0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 2jys s ARG 69 Cb 0.00 -1.45 -0.06 0.00 0.52 0.00 0.00 34.95 33.96 2jys s ARG 69 CO 0.00 -0.41 1.67 0.21 0.02 0.00 0.00 175.30 176.79 2jys s LYS 70 N 1.88 4.15 -0.03 3.54 2.20 -1.26 0.15 119.74 130.38 2jys s LYS 70 Ca 0.03 2.18 -0.01 0.00 -0.36 0.00 0.00 55.97 57.81 2jys s LYS 70 Cb -0.14 -4.00 0.02 0.00 -1.51 0.00 0.00 37.83 32.20 2jys s LYS 70 CO -0.07 -0.88 0.06 0.08 -0.36 0.00 0.00 175.35 174.18 2jys s VAL 71 N 4.14 -0.03 -0.10 4.02 1.01 -0.41 -4.90 120.40 124.13 2jys s VAL 71 Ca 0.74 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.83 2jys s VAL 71 Cb -0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2jys s VAL 71 CO 0.30 0.05 -0.07 -1.61 0.00 0.00 0.00 175.10 173.77 2jys s GLU 72 N 0.64 3.07 0.23 2.72 2.02 -1.26 -1.88 118.70 124.23 2jys s GLU 72 Ca -0.05 -0.56 -0.22 0.00 0.02 0.00 0.00 54.97 54.16 2jys s GLU 72 Cb -0.07 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.52 2jys s GLU 72 CO -0.02 0.50 0.69 0.00 0.02 0.00 0.00 175.26 176.44 2jys s ALA 73 N -0.36 -1.37 0.15 5.21 0.00 -0.84 -5.00 121.76 119.54 2jys s ALA 73 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2jys s ALA 73 Cb -0.12 0.85 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 2jys s ALA 73 CO 0.02 -0.94 0.95 -1.21 0.00 0.00 0.00 175.76 174.59 2jys s GLU 74 N -3.83 4.75 0.17 0.00 2.02 -1.26 -1.87 118.70 118.68 2jys s GLU 74 Ca 0.07 1.46 0.07 0.00 0.02 0.00 0.00 54.97 56.59 2jys s GLU 74 Cb -0.04 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2jys s GLU 74 CO -0.00 0.31 -0.14 0.14 0.02 0.00 0.00 175.26 175.58 2jys s VAL 75 N -0.36 1.55 0.03 2.63 -7.23 0.42 -3.72 120.40 113.72 2jys s VAL 75 Ca 0.45 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2jys s VAL 75 Cb -0.24 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2jys s VAL 75 CO 0.30 -0.55 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.30 2jys s LEU 76 N -3.01 3.37 -0.12 1.32 2.96 -0.82 -1.81 118.68 120.56 2jys s LEU 76 Ca 0.17 -0.11 -0.29 0.00 -0.22 0.00 0.00 54.13 53.68 2jys s LEU 76 Cb -0.02 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 2jys s LEU 76 CO 0.05 0.25 1.02 0.00 -1.32 0.00 0.00 176.35 176.35 2jys s ALA 77 N -1.12 3.45 0.09 5.97 0.00 -1.25 -0.61 121.76 128.30 2jys s ALA 77 Ca 0.20 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2jys s ALA 77 Cb -0.11 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2jys s ALA 77 CO 0.11 -0.69 -0.17 0.45 0.00 0.00 0.00 175.76 175.47 2jys s SER 78 N 1.13 2.08 0.00 0.00 0.15 0.18 -4.75 113.70 112.49 2jys s SER 78 Ca 0.48 -0.66 0.17 0.00 0.70 0.00 0.00 55.95 56.64 2jys s SER 78 Cb -0.18 -0.09 1.00 0.00 -1.71 0.00 0.00 66.02 65.04 2jys s SER 78 CO 0.16 -0.02 1.42 -0.81 1.20 0.00 0.00 173.24 175.19 2jys n PRO 79 N 1.16 0.51 -0.71 5.44 -0.04 -1.26 -2.62 135.00 137.47 2jys n PRO 79 Ca -0.20 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 2jys n PRO 79 Cb 0.54 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.74 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 -2.03 1.10 -0.35 0.54 2.02 -1.26 -4.95 117.35 112.42 2jys s TYR 80 Ca 0.25 0.94 0.15 0.00 -0.37 0.00 0.00 57.07 58.04 2jys s TYR 80 Cb 0.12 -3.13 0.43 0.00 -0.40 0.00 0.00 41.96 38.97 2jys s TYR 80 CO 0.20 -3.89 1.34 -0.25 -1.57 0.00 0.00 175.55 171.38 2jys n ASP 81 N -4.89 3.43 0.00 2.29 8.00 -1.26 -4.68 116.55 119.44 2jys n ASP 81 Ca 0.06 -2.73 0.00 0.00 0.71 0.00 0.00 54.79 52.83 2jys n ASP 81 Cb 0.57 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.34 0.00 -4.55 1.24 4.11 -1.26 -4.97 117.16 111.39 2jys n TYR 82 Ca 0.18 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.86 2jys n TYR 82 Cb 0.73 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.92 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 -0.31 1.04 -0.16 -3.48 1.01 -1.13 -3.58 121.20 114.59 2jys s ILE 83 Ca 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 2jys s ILE 83 Cb 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2jys s ILE 83 CO 0.00 0.24 0.03 -0.76 0.00 0.00 0.00 174.94 174.45 2jys s LEU 84 N -0.44 3.65 0.02 2.97 1.02 0.36 -0.09 118.68 126.17 2jys s LEU 84 Ca 0.04 0.05 -0.04 0.00 0.02 0.00 0.00 54.13 54.21 2jys s LEU 84 Cb -0.05 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 2jys s LEU 84 CO -0.00 0.21 0.23 -0.76 0.02 0.00 0.00 176.35 176.05 2jys s LEU 85 N 0.13 4.36 -0.14 1.79 2.01 -0.82 -0.79 118.68 125.23 2jys s LEU 85 Ca 0.03 0.42 -0.08 0.00 0.01 0.00 0.00 54.13 54.50 2jys s LEU 85 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 46.19 43.29 2jys s LEU 85 CO 0.01 0.23 0.15 0.21 1.01 0.00 0.00 176.35 177.96 2jys s ASN 86 N -1.99 6.35 0.36 2.29 2.47 -1.26 -3.12 114.94 120.04 2jys s ASN 86 Ca 0.30 0.41 0.07 0.00 0.42 0.00 0.00 52.86 54.06 2jys s ASN 86 Cb -0.13 -2.08 0.69 0.00 -1.45 0.00 0.00 41.25 38.28 2jys s ASN 86 CO 0.20 0.33 1.89 1.55 -3.72 0.00 0.00 177.10 177.36 2jys h PRO 87 N 5.50 0.38 0.00 0.43 0.13 -1.77 -1.30 132.00 135.38 2jys h PRO 87 Ca -0.51 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 64.44 2jys h PRO 87 Cb 1.20 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2jys h PRO 87 CO 0.64 0.46 -0.49 1.03 -0.23 0.00 0.00 178.00 179.41 2jys h SER 88 N 0.36 0.00 0.79 1.44 0.87 -1.87 -3.15 113.55 112.00 2jys h SER 88 Ca 0.08 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.39 2jys h SER 88 Cb 0.35 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2jys h SER 88 CO 0.02 0.49 -1.15 0.44 -0.53 0.00 0.00 176.83 176.10 2jys h ASP 89 N 0.00 0.23 -2.74 6.23 3.32 -1.74 -3.38 116.42 118.34 2jys h ASP 89 Ca -0.00 -0.25 -0.61 0.00 0.02 0.00 0.00 57.03 56.19 2jys h ASP 89 Cb 1.21 -0.07 -0.42 0.00 0.22 0.00 0.00 39.33 40.26 2jys h ASP 89 CO 0.06 1.19 -0.58 1.33 -1.72 0.00 0.00 179.24 179.53 2jys n VAL 90 N -3.44 1.93 0.22 -1.35 0.24 -0.55 -4.89 118.33 110.49 2jys n VAL 90 Ca -0.05 -5.01 0.09 0.00 -2.04 0.00 0.00 64.34 57.33 2jys n VAL 90 Cb 0.99 -2.16 0.47 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 4.92 0.00 0.00 7.34 0.13 -1.74 -2.90 132.00 139.75 2jys h PRO 91 Ca 0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.18 2jys h PRO 91 Cb 0.72 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2jys h PRO 91 CO 0.76 0.25 -0.58 0.11 -0.23 0.00 0.00 178.00 178.31 2jys h TRP 92 N 0.00 0.00 -0.97 1.56 0.09 -1.90 -3.15 115.95 111.59 2jys h TRP 92 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 58.89 59.06 2jys h TRP 92 Cb 0.71 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 29.88 2jys h TRP 92 CO 0.00 0.58 0.62 1.25 0.09 0.00 0.00 178.44 180.98 2jys h LEU 93 N 0.00 0.96 -9.72 0.11 6.46 -1.89 -3.40 115.31 107.82 2jys h LEU 93 Ca -0.01 0.02 -0.65 0.00 -0.12 0.00 0.00 57.88 57.12 2jys h LEU 93 Cb 1.21 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.89 2jys h LEU 93 CO 0.08 0.59 -0.49 -0.04 -0.62 0.00 0.00 178.44 177.96 2jys s MET 94 N -5.96 3.44 0.03 1.25 -1.94 -1.19 -5.09 119.30 109.84 2jys s MET 94 Ca -0.12 -0.23 -0.17 0.00 -1.71 0.00 0.00 55.69 53.46 2jys s MET 94 Cb 0.20 -3.14 -0.06 0.00 2.01 0.00 0.00 34.83 33.84 2jys s MET 94 CO 0.81 0.73 0.48 0.15 -0.01 0.00 0.00 175.02 177.18 2jys s LYS 95 N -1.49 4.05 0.13 2.03 1.02 -1.26 -4.94 119.74 119.28 2jys s LYS 95 Ca 0.21 0.56 -0.30 0.00 0.02 0.00 0.00 55.97 56.46 2jys s LYS 95 Cb -0.12 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 33.89 2jys s LYS 95 CO 0.11 0.66 1.20 0.21 -0.92 0.00 0.00 175.35 176.61 2jys s LYS 96 N -1.07 4.47 0.44 1.68 2.20 -1.26 -4.99 119.74 121.20 2jys s LYS 96 Ca 0.26 1.82 -0.24 0.00 -0.36 0.00 0.00 55.97 57.46 2jys s LYS 96 Cb -0.18 -3.29 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 2jys s LYS 96 CO 0.16 -0.16 1.16 -1.25 -0.36 0.00 0.00 175.35 174.90 2jys s PRO 97 N 0.39 3.87 0.00 4.03 0.04 -1.26 -5.30 135.00 136.76 2jys s PRO 97 Ca 0.56 1.79 0.19 0.00 0.04 0.00 0.00 61.00 63.58 2jys s PRO 97 Cb -0.31 -2.50 0.15 0.00 0.04 0.00 0.00 34.50 31.88 2jys s PRO 97 CO 0.33 -0.46 1.11 1.28 0.04 0.00 0.00 177.00 179.29