#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsn n GLY 2 N 0.00 0.70 0.33 -5.12 0.00 -0.55 -4.97 105.19 95.58 2jsn n GLY 2 Ca 0.00 -1.04 0.22 0.00 0.00 0.00 0.00 46.02 45.20 2jsn n GLY 2 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2jsn h HIS 3 N 1.64 0.00 0.00 1.61 -0.00 -2.04 -0.49 115.15 115.86 2jsn h HIS 3 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2jsn h HIS 3 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 2jsn h HIS 3 CO 0.00 0.00 -0.07 1.58 -0.00 0.00 0.00 177.93 179.44 2jsn n HIS 4 N -3.03 0.00 -2.75 5.26 -0.00 -1.26 -4.79 115.22 108.65 2jsn n HIS 4 Ca -0.03 -0.40 -0.12 0.00 -0.00 0.00 0.00 57.72 57.17 2jsn n HIS 4 Cb 0.10 -0.06 0.02 0.00 -0.00 0.00 0.00 29.99 30.05 2jsn n HIS 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsn n HIS 5 N -0.49 1.14 -1.97 1.57 -0.00 -0.22 -4.39 115.22 110.86 2jsn n HIS 5 Ca 0.03 -3.01 -0.25 0.00 -0.00 0.00 0.00 57.72 54.49 2jsn n HIS 5 Cb 0.45 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.99 30.02 2jsn n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsn s HIS 6 N -3.02 1.70 0.98 4.41 4.02 -1.07 -1.48 115.29 120.82 2jsn s HIS 6 Ca 0.31 0.84 -0.11 0.00 1.02 0.00 0.00 55.06 57.12 2jsn s HIS 6 Cb 0.43 -3.95 0.14 0.00 -1.02 0.00 0.00 32.58 28.19 2jsn s HIS 6 CO 0.00 -1.72 0.91 1.58 1.02 0.00 0.00 174.74 176.53 2jsn n HIS 7 N 14.69 -0.07 0.59 1.40 -0.00 -1.26 -4.86 115.22 125.70 2jsn n HIS 7 Ca 0.41 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.86 2jsn n HIS 7 Cb 0.46 -1.89 0.00 0.00 -0.12 0.00 0.00 29.99 28.45 2jsn n HIS 7 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jsn n HIS 8 N -4.24 0.00 -1.30 1.57 -0.00 -1.26 -4.89 115.22 105.10 2jsn n HIS 8 Ca 0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.45 2jsn n HIS 8 Cb 0.53 -0.01 0.09 0.00 -0.00 0.00 0.00 29.99 30.60 2jsn n HIS 8 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 2jsn n LEU 9 N -0.29 2.90 0.00 2.41 7.94 -1.26 -4.86 117.00 123.84 2jsn n LEU 9 Ca 0.00 0.63 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 2jsn n LEU 9 Cb 0.02 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 42.60 2jsn n LEU 9 CO 0.00 -2.28 0.40 -0.67 -1.11 0.00 0.00 177.39 173.73 2jsn n ASP 10 N -1.51 0.00 0.26 1.96 2.03 -1.26 -2.67 116.55 115.36 2jsn n ASP 10 Ca 0.12 0.30 0.16 0.00 0.52 0.00 0.00 54.79 55.88 2jsn n ASP 10 Cb 0.50 -0.30 0.73 0.00 -0.72 0.00 0.00 41.12 41.33 2jsn n ASP 10 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jsn h SER 11 N 0.00 0.00 -5.43 1.67 0.02 -1.93 -3.41 113.55 104.47 2jsn h SER 11 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2jsn h SER 11 Cb 0.03 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.43 2jsn h SER 11 CO 0.00 0.00 -0.57 -0.72 -1.14 0.00 0.00 176.83 174.40 2jsn s TYR 12 N -4.22 0.83 0.00 3.45 1.13 -1.09 -5.10 117.35 112.35 2jsn s TYR 12 Ca -0.03 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.46 2jsn s TYR 12 Cb 0.10 -0.41 0.00 0.00 -1.10 0.00 0.00 41.96 40.55 2jsn s TYR 12 CO 0.32 -0.59 0.00 0.00 -2.51 0.00 0.00 175.55 172.77 2jsn n ALA 13 N -0.16 0.45 -1.04 9.51 0.00 -1.26 -4.88 120.51 123.14 2jsn n ALA 13 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 2jsn n ALA 13 Cb 0.64 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.18 2jsn n ALA 13 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jsn n PRO 14 N -0.27 0.02 0.00 0.00 -0.02 -1.26 -4.97 135.00 128.50 2jsn n PRO 14 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2jsn n PRO 14 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2jsn n PRO 14 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2jsn n ARG 15 N -1.15 0.28 -3.92 -0.52 0.00 -1.26 -4.95 116.66 105.14 2jsn n ARG 15 Ca 0.08 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.85 57.82 2jsn n ARG 15 Cb 0.52 -0.28 -0.09 0.00 -0.00 0.00 0.00 32.46 32.60 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jsn s ALA 16 N -0.05 -0.12 -1.48 2.89 0.00 -1.26 -4.67 121.76 117.07 2jsn s ALA 16 Ca 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 2jsn s ALA 16 Cb 0.00 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.42 2jsn s ALA 16 CO 0.00 -0.31 0.73 0.39 0.00 0.00 0.00 175.76 176.57 2jsn n GLU 17 N 0.84 -4.31 -4.13 0.00 1.02 -0.23 -4.93 120.64 108.89 2jsn n GLU 17 Ca -0.19 0.50 -0.09 0.00 -0.02 0.00 0.00 57.16 57.36 2jsn n GLU 17 Cb 0.58 -5.08 -0.10 0.00 -0.02 0.00 0.00 31.44 26.82 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jsn s ALA 18 N -3.56 0.73 -0.01 0.62 0.00 -1.11 -5.00 121.76 113.43 2jsn s ALA 18 Ca 0.35 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2jsn s ALA 18 Cb -0.18 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 2jsn s ALA 18 CO 0.86 -0.33 0.03 -2.00 0.00 0.00 0.00 175.76 174.32 2jsn s GLU 19 N -3.90 0.13 -0.02 0.00 2.12 -1.26 -1.51 118.70 114.25 2jsn s GLU 19 Ca 0.11 -0.11 -0.09 0.00 0.36 0.00 0.00 54.97 55.24 2jsn s GLU 19 Cb 0.07 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.52 2jsn s GLU 19 CO -0.07 -0.02 0.20 0.15 -0.54 0.00 0.00 175.26 174.98 2jsn s LYS 20 N -0.38 0.47 0.32 4.30 -0.14 -0.40 -4.98 119.74 118.93 2jsn s LYS 20 Ca -0.04 -0.18 -0.27 0.00 -1.36 0.00 0.00 55.97 54.12 2jsn s LYS 20 Cb -0.03 0.20 -0.09 0.00 -1.68 0.00 0.00 37.83 36.23 2jsn s LYS 20 CO -0.00 -0.11 1.03 0.95 -0.76 0.00 0.00 175.35 176.46 2jsn s THR 21 N -1.00 3.76 0.03 2.17 -4.23 -1.26 -1.06 115.64 114.05 2jsn s THR 21 Ca -0.11 1.59 -0.05 0.00 -1.18 0.00 0.00 61.69 61.95 2jsn s THR 21 Cb -0.06 -3.94 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 2jsn s THR 21 CO 0.02 0.25 0.07 -0.36 -0.54 0.00 0.00 174.62 174.06 2jsn s PHE 22 N -1.38 0.20 0.28 3.99 0.08 0.07 -4.62 117.98 116.61 2jsn s PHE 22 Ca 0.49 -0.48 -0.01 0.00 0.12 0.00 0.00 56.93 57.05 2jsn s PHE 22 Cb -0.26 -0.15 -0.02 0.00 -0.57 0.00 0.00 43.02 42.02 2jsn s PHE 22 CO 0.33 -0.32 0.32 -1.12 -0.10 0.00 0.00 175.22 174.33 2jsn s SER 23 N -1.92 0.71 0.09 1.36 0.01 -1.26 -1.10 113.70 111.59 2jsn s SER 23 Ca -0.08 -1.44 0.01 0.00 1.31 0.00 0.00 55.95 55.75 2jsn s SER 23 Cb -0.03 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2jsn s SER 23 CO -0.03 -1.07 -0.05 -0.31 0.41 0.00 0.00 173.24 172.19 2jsn s TYR 24 N -3.65 0.79 0.73 2.43 2.02 -1.26 -4.46 117.35 113.95 2jsn s TYR 24 Ca 0.35 -0.97 -0.14 0.00 -0.37 0.00 0.00 57.07 55.94 2jsn s TYR 24 Cb 0.03 -0.48 0.04 0.00 -0.40 0.00 0.00 41.96 41.14 2jsn s TYR 24 CO 0.18 -0.22 1.16 -1.25 -1.57 0.00 0.00 175.55 173.85 2jsn s PRO 25 N -3.86 2.23 0.06 -1.71 0.04 -1.26 -5.03 135.00 125.47 2jsn s PRO 25 Ca 0.11 1.59 -0.24 0.00 0.04 0.00 0.00 61.00 62.50 2jsn s PRO 25 Cb 0.06 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.80 2jsn s PRO 25 CO -0.06 -1.73 0.56 -1.17 0.04 0.00 0.00 177.00 174.64 2jsn s LEU 26 N -5.26 -0.25 0.34 -3.56 2.96 -1.26 -5.06 118.68 106.58 2jsn s LEU 26 Ca 0.70 0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.90 2jsn s LEU 26 Cb -0.25 2.28 0.61 0.00 0.50 0.00 0.00 46.19 49.32 2jsn s LEU 26 CO 0.46 -0.76 1.79 -0.78 -1.32 0.00 0.00 176.35 175.74 2jsn h ASP 27 N 2.63 0.19 -3.86 3.68 3.58 -1.96 -3.43 116.42 117.24 2jsn h ASP 27 Ca -0.31 -0.06 -0.54 0.00 0.42 0.00 0.00 57.03 56.53 2jsn h ASP 27 Cb 1.22 -0.05 0.11 0.00 1.72 0.00 0.00 39.33 42.33 2jsn h ASP 27 CO 0.40 0.51 0.75 -0.11 -2.88 0.00 0.00 179.24 177.92 2jsn n LEU 28 N -4.11 4.68 -3.84 2.28 7.94 -1.26 -4.05 117.00 118.63 2jsn n LEU 28 Ca -0.01 1.23 -0.11 0.00 -1.11 0.00 0.00 56.01 56.01 2jsn n LEU 28 Cb 0.40 -1.61 -0.09 0.00 0.53 0.00 0.00 43.42 42.65 2jsn n LEU 28 CO 0.40 0.11 -0.10 -0.22 -1.11 0.00 0.00 177.39 176.47 2jsn s LEU 29 N -1.96 1.36 0.19 -1.96 2.96 -0.40 -4.93 118.68 113.94 2jsn s LEU 29 Ca 0.53 -0.32 0.10 0.00 -0.22 0.00 0.00 54.13 54.23 2jsn s LEU 29 Cb -0.48 0.93 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 2jsn s LEU 29 CO 0.64 -0.52 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.18 2jsn s LEU 30 N -1.94 2.46 0.06 -0.68 1.43 -1.26 -0.36 118.68 118.39 2jsn s LEU 30 Ca -0.07 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 2jsn s LEU 30 Cb -0.02 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 2jsn s LEU 30 CO -0.03 0.03 -0.07 -1.59 0.23 0.00 0.00 176.35 174.92 2jsn s LYS 31 N -2.87 0.62 -0.20 1.70 0.00 -0.05 -4.73 119.74 114.21 2jsn s LYS 31 Ca 0.20 -0.95 -0.19 0.00 0.00 0.00 0.00 55.97 55.02 2jsn s LYS 31 Cb -0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 37.83 37.50 2jsn s LYS 31 CO 0.09 0.02 0.55 -1.17 0.00 0.00 0.00 175.35 174.84 2jsn s LEU 32 N -2.08 4.14 -0.13 2.77 2.96 -1.26 -1.13 118.68 123.95 2jsn s LEU 32 Ca -0.03 0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 54.50 2jsn s LEU 32 Cb -0.05 -2.76 0.04 0.00 0.50 0.00 0.00 46.19 43.92 2jsn s LEU 32 CO -0.02 -0.21 0.33 -2.28 -1.32 0.00 0.00 176.35 172.85 2jsn s HIS 33 N 1.74 -0.39 -1.65 5.38 5.65 -0.03 -4.92 115.29 121.07 2jsn s HIS 33 Ca 0.25 0.93 -0.14 0.00 0.25 0.00 0.00 55.06 56.36 2jsn s HIS 33 Cb -0.16 0.14 0.12 0.00 -1.18 0.00 0.00 32.58 31.50 2jsn s HIS 33 CO 0.10 -0.21 0.62 -3.47 -0.65 0.00 0.00 174.74 171.13 2jsn n ASP 34 N 3.29 -2.16 -2.72 9.88 2.03 -1.26 -0.99 116.55 124.62 2jsn n ASP 34 Ca -0.16 -1.06 -0.18 0.00 0.52 0.00 0.00 54.79 53.91 2jsn n ASP 34 Cb 0.57 -2.61 0.00 0.00 -0.72 0.00 0.00 41.12 38.36 2jsn n ASP 34 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jsn n GLU 35 N -4.38 -2.83 -4.33 -0.67 1.02 -1.26 -4.88 120.64 103.32 2jsn n GLU 35 Ca -0.04 0.69 -0.17 0.00 -0.02 0.00 0.00 57.16 57.63 2jsn n GLU 35 Cb 0.55 -5.37 -0.10 0.00 -0.02 0.00 0.00 31.44 26.49 2jsn n GLU 35 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jsn s ARG 36 N -5.35 1.31 -0.18 3.49 1.81 -0.16 -3.10 118.95 116.77 2jsn s ARG 36 Ca 0.13 -1.64 0.01 0.00 -1.72 0.00 0.00 55.73 52.51 2jsn s ARG 36 Cb -0.07 -0.71 0.03 0.00 -0.45 0.00 0.00 34.95 33.75 2jsn s ARG 36 CO 0.17 -0.03 -0.15 0.08 -0.68 0.00 0.00 175.30 174.68 2jsn s VAL 37 N -3.33 1.83 0.08 3.52 1.01 -1.25 -0.86 120.40 121.41 2jsn s VAL 37 Ca 0.26 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2jsn s VAL 37 Cb 0.05 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2jsn s VAL 37 CO 0.07 0.38 -0.19 -0.76 0.00 0.00 0.00 175.10 174.61 2jsn s LEU 38 N 1.35 2.63 -0.35 3.92 1.02 -0.29 -1.30 118.68 125.66 2jsn s LEU 38 Ca 0.02 -0.50 -0.28 0.00 0.02 0.00 0.00 54.13 53.39 2jsn s LEU 38 Cb -0.14 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 2jsn s LEU 38 CO -0.11 0.22 1.82 -0.69 0.02 0.00 0.00 176.35 177.62 2jsn s VAL 39 N -1.02 3.45 -0.01 -1.59 1.01 0.47 -0.87 120.40 121.84 2jsn s VAL 39 Ca 0.16 0.45 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 2jsn s VAL 39 Cb -0.10 -3.64 -0.33 0.00 0.00 0.00 0.00 36.38 32.30 2jsn s VAL 39 CO 0.07 -0.43 0.85 0.00 0.00 0.00 0.00 175.10 175.59 2jsn h ALA 40 N 13.16 -0.04 -2.54 5.51 0.00 -0.99 -0.84 119.26 133.52 2jsn h ALA 40 Ca -0.33 -0.94 -0.08 0.00 0.00 0.00 0.00 54.91 53.56 2jsn h ALA 40 Cb 1.17 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.09 2jsn h ALA 40 CO 1.04 0.75 -0.33 -0.06 0.00 0.00 0.00 179.25 180.65 2jsn s PHE 41 N -2.56 0.10 0.00 0.00 0.08 -0.98 -4.85 117.98 109.78 2jsn s PHE 41 Ca -0.13 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.43 2jsn s PHE 41 Cb 0.04 -0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.47 2jsn s PHE 41 CO 0.89 -0.55 0.00 0.41 -0.10 0.00 0.00 175.22 175.87 2jsn n GLY 42 N -0.02 -0.17 0.23 4.36 0.00 -1.26 -1.28 105.19 107.06 2jsn n GLY 42 Ca -0.15 0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.98 2jsn n GLY 42 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2jsn h GLN 43 N 0.00 0.06 -0.00 1.61 4.20 -1.97 0.34 115.11 119.35 2jsn h GLN 43 Ca 0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2jsn h GLN 43 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2jsn h GLN 43 CO 0.00 0.21 -0.29 -0.09 -0.67 0.00 0.00 178.83 177.99 2jsn h ARG 44 N 0.06 0.00 0.00 1.46 2.43 -1.96 -3.28 114.38 113.09 2jsn h ARG 44 Ca 0.01 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2jsn h ARG 44 Cb 0.29 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2jsn h ARG 44 CO 0.02 0.29 -0.17 0.22 -1.51 0.00 0.00 179.97 178.83 2jsn h ASP 45 N 0.00 0.00 0.00 -3.80 3.58 -1.62 -3.47 116.42 111.11 2jsn h ASP 45 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2jsn h ASP 45 Cb 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2jsn h ASP 45 CO 0.04 0.72 0.00 0.61 -2.88 0.00 0.00 179.24 177.72 2jsn n GLY 46 N 1.69 2.38 0.00 -0.78 0.00 -0.02 -4.81 105.19 103.65 2jsn n GLY 46 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jsn n GLY 46 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jsn n ILE 47 N -2.00 0.00 0.32 -0.61 3.06 -1.26 -4.82 119.36 114.04 2jsn n ILE 47 Ca 0.00 0.00 0.16 0.00 -2.50 0.00 0.00 62.75 60.41 2jsn n ILE 47 Cb 0.00 0.00 0.67 0.00 0.54 0.00 0.00 39.64 40.85 2jsn n ILE 47 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 2jsn h ARG 48 N 0.00 0.00 -6.76 9.51 -0.00 -1.88 -3.45 114.38 111.80 2jsn h ARG 48 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.91 2jsn h ARG 48 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 29.97 30.11 2jsn h ARG 48 CO 0.00 0.00 0.26 0.28 0.00 0.00 0.00 179.97 180.51 2jsn n VAL 49 N -2.76 2.87 0.00 2.04 0.31 -1.26 -2.60 118.33 116.92 2jsn n VAL 49 Ca 0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.84 2jsn n VAL 49 Cb 0.24 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2jsn n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jsn n GLY 50 N 1.10 2.49 3.91 2.92 0.00 -0.32 -4.98 105.19 110.30 2jsn n GLY 50 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2jsn n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jsn s HIS 51 N -2.40 2.12 0.04 1.61 4.02 -1.07 -4.74 115.29 114.87 2jsn s HIS 51 Ca 0.00 0.50 0.03 0.00 1.02 0.00 0.00 55.06 56.61 2jsn s HIS 51 Cb 0.00 -3.85 -0.02 0.00 -1.02 0.00 0.00 32.58 27.68 2jsn s HIS 51 CO 0.00 -2.34 -0.10 0.00 1.02 0.00 0.00 174.74 173.32 2jsn s ALA 52 N -3.74 0.81 0.32 -1.40 0.00 -0.06 -0.39 121.76 117.30 2jsn s ALA 52 Ca 0.69 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 2jsn s ALA 52 Cb -0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 23.12 22.90 2jsn s ALA 52 CO 0.52 0.08 1.51 0.08 0.00 0.00 0.00 175.76 177.94 2jsn s VAL 53 N -1.14 2.21 0.00 0.00 1.01 -0.42 -1.23 120.40 120.83 2jsn s VAL 53 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2jsn s VAL 53 Cb -0.09 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2jsn s VAL 53 CO 0.01 0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.33 2jsn n LEU 54 N 1.48 0.92 -3.72 3.92 4.77 0.33 -4.80 117.00 119.90 2jsn n LEU 54 Ca 0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.93 2jsn n LEU 54 Cb 0.39 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 2jsn n LEU 54 CO 0.63 0.15 0.06 0.00 -1.33 0.00 0.00 177.39 176.90 2jsn s ALA 55 N -1.99 -0.65 -0.05 -1.18 0.00 -0.57 -1.36 121.76 115.96 2jsn s ALA 55 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.71 2jsn s ALA 55 Cb 0.00 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.74 2jsn s ALA 55 CO 0.00 -0.59 -0.08 0.42 0.00 0.00 0.00 175.76 175.51 2jsn s ILE 56 N -3.80 0.79 -0.17 0.00 1.01 -0.42 -0.91 121.20 117.70 2jsn s ILE 56 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.40 2jsn s ILE 56 Cb 0.03 -0.75 0.00 0.00 0.01 0.00 0.00 42.46 41.75 2jsn s ILE 56 CO -0.12 0.27 0.00 -0.46 0.00 0.00 0.00 174.94 174.64 2jsn n ASN 57 N 3.82 -1.06 0.00 3.58 0.23 0.24 -0.57 115.26 121.50 2jsn n ASN 57 Ca -0.23 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 2jsn n ASN 57 Cb 0.52 -1.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.06 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jsn n GLY 58 N -0.35 1.86 3.58 4.83 0.00 -1.26 -5.04 105.19 108.81 2jsn n GLY 58 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2jsn n GLY 58 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jsn s MET 59 N -0.92 3.38 0.08 1.61 -1.94 0.26 -4.99 119.30 116.78 2jsn s MET 59 Ca 0.00 0.67 -0.33 0.00 -1.71 0.00 0.00 55.69 54.32 2jsn s MET 59 Cb 0.00 -4.10 -0.12 0.00 2.01 0.00 0.00 34.83 32.62 2jsn s MET 59 CO 0.00 -1.83 1.75 -3.47 -0.01 0.00 0.00 175.02 171.47 2jsn n ASP 60 N 9.44 3.51 -4.70 3.03 2.03 -1.26 -1.29 116.55 127.30 2jsn n ASP 60 Ca 0.15 1.02 -0.42 0.00 0.52 0.00 0.00 54.79 56.05 2jsn n ASP 60 Cb 0.49 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.41 2jsn n ASP 60 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jsn s VAL 61 N 2.43 4.85 -1.19 5.18 -7.23 -0.47 -3.29 120.40 120.69 2jsn s VAL 61 Ca 0.84 2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 62.84 2jsn s VAL 61 Cb -0.62 -4.30 -0.03 0.00 0.56 0.00 0.00 36.38 31.99 2jsn s VAL 61 CO 0.42 0.11 1.96 -3.20 -0.31 0.00 0.00 175.10 174.07 2jsn n ASN 62 N 4.31 3.65 0.00 4.85 5.15 1.00 -4.76 115.26 129.46 2jsn n ASN 62 Ca 0.07 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.26 2jsn n ASN 62 Cb 0.50 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 2jsn n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jsn n GLY 63 N 4.93 1.07 0.00 8.20 0.00 -1.26 -1.52 105.19 116.61 2jsn n GLY 63 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2jsn n GLY 63 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jsn n ARG 64 N 0.00 1.52 -4.39 1.61 1.85 -1.18 -3.77 116.66 112.30 2jsn n ARG 64 Ca 0.00 -0.14 -0.26 0.00 -1.00 0.00 0.00 57.85 56.45 2jsn n ARG 64 Cb 0.00 -0.53 -0.10 0.00 -1.05 0.00 0.00 32.46 30.78 2jsn n ARG 64 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2jsn s TYR 65 N -0.26 2.42 1.13 2.89 2.02 -0.58 -1.24 117.35 123.74 2jsn s TYR 65 Ca 0.00 -0.30 -0.17 0.00 -0.37 0.00 0.00 57.07 56.22 2jsn s TYR 65 Cb 0.00 -1.15 0.25 0.00 -0.40 0.00 0.00 41.96 40.67 2jsn s TYR 65 CO 0.00 0.57 1.12 0.95 -1.57 0.00 0.00 175.55 176.62 2jsn s THR 66 N -1.94 1.73 0.32 -0.71 -4.23 0.42 -0.00 115.64 111.24 2jsn s THR 66 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 2jsn s THR 66 Cb -0.07 -2.53 0.26 0.00 1.34 0.00 0.00 72.50 71.49 2jsn s THR 66 CO 0.13 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.20 2jsn h ALA 67 N -2.33 1.47 0.00 3.99 0.00 -1.81 -2.27 119.26 118.31 2jsn h ALA 67 Ca -0.47 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2jsn h ALA 67 Cb 1.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jsn h ALA 67 CO 0.41 0.48 -0.45 0.22 0.00 0.00 0.00 179.25 179.92 2jsn h ASP 68 N 0.97 0.00 0.00 0.00 3.58 -1.92 -3.48 116.42 115.58 2jsn h ASP 68 Ca 0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2jsn h ASP 68 Cb -0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2jsn h ASP 68 CO -0.05 0.45 0.00 0.61 -2.88 0.00 0.00 179.24 177.36 2jsn n GLY 69 N -0.19 1.09 3.74 -0.78 0.00 -0.85 -5.11 105.19 103.09 2jsn n GLY 69 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2jsn n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsn s LYS 70 N -0.22 4.47 0.15 1.61 -0.14 -1.26 -4.61 119.74 119.74 2jsn s LYS 70 Ca 0.00 1.96 -0.31 0.00 -1.36 0.00 0.00 55.97 56.25 2jsn s LYS 70 Cb 0.00 -3.20 -0.10 0.00 -1.68 0.00 0.00 37.83 32.85 2jsn s LYS 70 CO 0.00 -0.10 1.60 -2.00 -0.76 0.00 0.00 175.35 174.09 2jsn s GLU 71 N -0.59 4.20 0.25 1.68 2.12 -1.26 -0.43 118.70 124.67 2jsn s GLU 71 Ca 0.52 2.38 -0.04 0.00 0.36 0.00 0.00 54.97 58.19 2jsn s GLU 71 Cb -0.34 -3.23 0.39 0.00 0.26 0.00 0.00 34.13 31.20 2jsn s GLU 71 CO 0.40 -0.65 1.83 0.28 -0.54 0.00 0.00 175.26 176.58 2jsn h VAL 72 N 4.15 0.95 -0.43 3.70 2.07 -1.50 0.54 116.25 125.73 2jsn h VAL 72 Ca -0.43 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.70 2jsn h VAL 72 Cb 1.20 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2jsn h VAL 72 CO 0.92 0.16 -0.12 -0.07 0.02 0.00 0.00 177.57 178.48 2jsn h LEU 73 N 0.87 0.77 -0.18 2.57 3.38 -1.90 -0.31 115.31 120.51 2jsn h LEU 73 Ca 0.40 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2jsn h LEU 73 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jsn h LEU 73 CO -0.22 0.91 -0.39 -0.08 0.09 0.00 0.00 178.44 178.75 2jsn h GLU 74 N 0.71 0.57 -0.39 1.13 4.57 -1.68 -0.13 114.58 119.35 2jsn h GLU 74 Ca 0.12 -0.38 0.03 0.00 -1.18 0.00 0.00 59.36 57.95 2jsn h GLU 74 Cb 0.60 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 2jsn h GLU 74 CO 0.04 0.99 0.19 -0.92 -1.18 0.00 0.00 179.01 178.14 2jsn h TYR 75 N 0.23 0.36 -0.00 0.92 3.20 -0.69 -1.06 116.97 119.93 2jsn h TYR 75 Ca 0.00 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.69 2jsn h TYR 75 Cb 0.99 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 2jsn h TYR 75 CO 0.09 0.19 -0.87 -0.07 -1.64 0.00 0.00 178.16 175.87 2jsn h LEU 76 N 0.40 0.26 -1.06 2.82 3.38 -1.11 -3.28 115.31 116.72 2jsn h LEU 76 Ca 0.17 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2jsn h LEU 76 Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jsn h LEU 76 CO -0.12 1.00 -0.35 1.23 0.09 0.00 0.00 178.44 180.30 2jsn h GLY 77 N 1.82 0.23 -6.22 0.83 0.00 -0.50 -3.40 103.07 95.83 2jsn h GLY 77 Ca -0.04 -0.20 -0.56 0.00 0.00 0.00 0.00 47.33 46.52 2jsn h GLY 77 CO 0.13 0.18 1.37 0.21 0.00 0.00 0.00 176.54 178.44 2jsn s ASN 78 N -6.88 5.91 0.32 0.19 2.47 -0.45 -4.89 114.94 111.62 2jsn s ASN 78 Ca -0.04 2.25 0.26 0.00 0.42 0.00 0.00 52.86 55.75 2jsn s ASN 78 Cb 0.14 -2.52 1.04 0.00 -1.45 0.00 0.00 41.25 38.46 2jsn s ASN 78 CO 0.76 -1.54 1.77 1.55 -3.72 0.00 0.00 177.10 175.92 2jsn h PRO 79 N 13.00 0.00 0.00 0.43 0.13 -1.90 -0.73 132.00 142.92 2jsn h PRO 79 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jsn h PRO 79 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jsn h PRO 79 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 2jsn n ALA 80 N -1.85 1.22 -2.07 -0.56 0.00 -1.26 -2.44 120.51 113.56 2jsn n ALA 80 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.66 2jsn n ALA 80 Cb 0.27 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.47 2jsn n ALA 80 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2jsn n ASN 81 N -2.22 1.10 0.18 0.00 5.15 -0.30 -4.87 115.26 114.31 2jsn n ASN 81 Ca -0.00 -2.55 -0.14 0.00 -0.60 0.00 0.00 54.58 51.29 2jsn n ASN 81 Cb 0.09 -0.35 -0.08 0.00 -0.53 0.00 0.00 39.78 38.92 2jsn n ASN 81 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2jsn h TYR 82 N 0.73 -0.42 -2.81 1.20 -1.99 -1.23 -3.42 116.97 109.03 2jsn h TYR 82 Ca -0.11 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 60.05 2jsn h TYR 82 Cb 1.52 0.15 -0.03 0.00 2.00 0.00 0.00 36.73 40.36 2jsn h TYR 82 CO 0.29 -0.25 0.98 -1.25 -0.00 0.00 0.00 178.16 177.93 2jsn s PRO 83 N -6.12 4.17 0.28 4.88 0.04 -1.26 -4.27 135.00 132.72 2jsn s PRO 83 Ca -0.15 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 2jsn s PRO 83 Cb 0.05 -3.86 -0.01 0.00 0.04 0.00 0.00 34.50 30.72 2jsn s PRO 83 CO 0.64 -0.81 0.40 0.14 0.04 0.00 0.00 177.00 177.42 2jsn s VAL 84 N 3.83 0.00 -0.03 -0.36 -7.23 -0.26 -5.02 120.40 111.34 2jsn s VAL 84 Ca 0.62 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.21 2jsn s VAL 84 Cb -0.25 -2.46 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2jsn s VAL 84 CO 0.21 0.00 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.38 2jsn s SER 85 N -3.15 2.20 -0.02 4.85 0.01 -1.26 -0.75 113.70 115.57 2jsn s SER 85 Ca 0.30 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 57.24 2jsn s SER 85 Cb 0.01 -0.42 -0.00 0.00 0.21 0.00 0.00 66.02 65.82 2jsn s SER 85 CO 0.15 0.20 -0.11 -0.63 0.41 0.00 0.00 173.24 173.26 2jsn s ILE 86 N -0.22 0.88 -0.08 1.44 1.01 -0.22 -0.59 121.20 123.42 2jsn s ILE 86 Ca 0.02 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2jsn s ILE 86 Cb -0.09 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 2jsn s ILE 86 CO 0.01 0.26 -0.18 -0.60 0.00 0.00 0.00 174.94 174.42 2jsn s ARG 87 N -0.03 2.79 0.14 2.79 3.52 -0.09 -1.28 118.95 126.78 2jsn s ARG 87 Ca 0.00 -0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 54.79 2jsn s ARG 87 Cb -0.07 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 2jsn s ARG 87 CO 0.00 0.40 0.11 -0.59 -0.81 0.00 0.00 175.30 174.41 2jsn s PHE 88 N -0.17 0.74 0.10 5.12 -0.12 -0.57 -0.51 117.98 122.57 2jsn s PHE 88 Ca -0.02 -1.11 -0.07 0.00 -0.05 0.00 0.00 56.93 55.68 2jsn s PHE 88 Cb -0.14 -0.37 0.03 0.00 -0.63 0.00 0.00 43.02 41.91 2jsn s PHE 88 CO 0.03 -0.56 0.34 0.41 -0.05 0.00 0.00 175.22 175.40 2jsn n GLY 89 N -0.12 1.30 3.71 1.99 0.00 -0.37 -1.07 105.19 110.64 2jsn n GLY 89 Ca -0.06 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 2jsn n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jsn s ARG 90 N -2.03 4.20 0.96 1.61 1.81 -1.26 -0.88 118.95 123.36 2jsn s ARG 90 Ca 0.07 2.39 -0.12 0.00 -1.72 0.00 0.00 55.73 56.36 2jsn s ARG 90 Cb -0.01 -3.23 0.17 0.00 -0.45 0.00 0.00 34.95 31.42 2jsn s ARG 90 CO 0.03 -0.65 1.09 -1.25 -0.68 0.00 0.00 175.30 173.84 2jsn s PRO 91 N 1.44 0.74 0.49 3.54 0.04 -1.26 -4.85 135.00 135.14 2jsn s PRO 91 Ca 0.72 0.72 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 2jsn s PRO 91 Cb -0.44 -1.76 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2jsn s PRO 91 CO 0.32 -2.57 1.29 -0.98 0.04 0.00 0.00 177.00 175.10 2jsn s ARG 92 N -4.90 3.52 0.28 4.56 1.70 -1.26 -4.91 118.95 117.94 2jsn s ARG 92 Ca 0.65 2.08 0.02 0.00 -0.47 0.00 0.00 55.73 58.00 2jsn s ARG 92 Cb -0.19 -2.41 0.59 0.00 -0.57 0.00 0.00 34.95 32.37 2jsn s ARG 92 CO 0.58 -0.84 1.79 1.25 -1.08 0.00 0.00 175.30 177.00 2jsn h LEU 93 N 1.91 0.76 -2.21 -1.89 7.12 -2.01 -1.56 115.31 117.42 2jsn h LEU 93 Ca -0.50 0.08 0.05 0.00 0.13 0.00 0.00 57.88 57.63 2jsn h LEU 93 Cb 1.27 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.33 2jsn h LEU 93 CO 0.59 0.34 0.26 0.74 -0.13 0.00 0.00 178.44 180.24 2jsn h THR 94 N 0.81 0.30 0.00 1.05 2.02 -2.01 -1.83 112.91 113.24 2jsn h THR 94 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.69 2jsn h THR 94 Cb 0.65 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2jsn h THR 94 CO -0.33 0.00 0.00 0.28 0.37 0.00 0.00 175.52 175.84 2jsn h SER 95 N 0.00 0.00 0.00 4.18 0.02 -1.62 -3.48 113.55 112.65 2jsn h SER 95 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2jsn h SER 95 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2jsn h SER 95 CO -0.00 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 172.49