#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 0.94 0.26 3.03 0.00 -1.26 -5.00 105.19 103.17 2jsn n GLY 2 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2jsn n GLY 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jsn h HIS 3 N 1.40 0.00 -3.81 1.61 3.86 -2.13 -3.44 115.15 112.64 2jsn h HIS 3 Ca -0.36 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.70 2jsn h HIS 3 Cb 1.26 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.66 2jsn h HIS 3 CO 0.02 0.10 -0.12 -3.38 0.86 0.00 0.00 177.93 175.41 2jsn s HIS 4 N -4.42 0.67 -0.05 2.45 0.00 -1.26 -5.18 115.29 107.49 2jsn s HIS 4 Ca -0.04 -1.01 -0.05 0.00 -3.00 0.00 0.00 55.06 50.97 2jsn s HIS 4 Cb 0.14 0.12 0.01 0.00 -4.00 0.00 0.00 32.58 28.86 2jsn s HIS 4 CO 0.60 -1.11 0.14 -1.58 -1.00 0.00 0.00 174.74 171.79 2jsn s HIS 5 N -3.40 -0.15 0.04 0.38 5.65 -1.26 -5.17 115.29 111.38 2jsn s HIS 5 Ca 0.26 0.38 -0.02 0.00 0.25 0.00 0.00 55.06 55.93 2jsn s HIS 5 Cb -0.01 0.05 -0.03 0.00 -1.18 0.00 0.00 32.58 31.41 2jsn s HIS 5 CO 0.14 -0.08 0.00 -1.01 -0.65 0.00 0.00 174.74 173.15 2jsn s HIS 6 N 0.14 0.37 0.06 3.88 0.09 -1.26 -5.12 115.29 113.45 2jsn s HIS 6 Ca -0.01 -0.79 -0.32 0.00 -0.00 0.00 0.00 55.06 53.94 2jsn s HIS 6 Cb -0.02 -0.27 -0.11 0.00 -0.00 0.00 0.00 32.58 32.18 2jsn s HIS 6 CO -0.00 -0.33 1.83 1.58 -0.00 0.00 0.00 174.74 177.82 2jsn n HIS 7 N 0.65 2.48 -2.28 1.40 -0.00 -1.26 -4.88 115.22 111.33 2jsn n HIS 7 Ca -0.18 -0.09 -0.42 0.00 -0.00 0.00 0.00 57.72 57.03 2jsn n HIS 7 Cb 0.59 -2.70 -0.03 0.00 -0.00 0.00 0.00 29.99 27.85 2jsn n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsn s HIS 8 N 3.06 2.90 0.43 1.57 3.76 -1.26 -4.99 115.29 120.76 2jsn s HIS 8 Ca 0.85 0.89 -0.25 0.00 -0.15 0.00 0.00 55.06 56.40 2jsn s HIS 8 Cb -0.56 -3.61 -0.09 0.00 1.11 0.00 0.00 32.58 29.43 2jsn s HIS 8 CO 0.42 -2.21 1.34 -0.11 -0.85 0.00 0.00 174.74 173.33 2jsn n LEU 9 N 5.45 4.49 -4.76 0.89 7.94 -1.26 -4.88 117.00 124.87 2jsn n LEU 9 Ca 0.13 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.73 2jsn n LEU 9 Cb 0.44 -1.55 -0.01 0.00 0.53 0.00 0.00 43.42 42.83 2jsn n LEU 9 CO 0.58 -0.43 1.12 -0.62 -1.11 0.00 0.00 177.39 176.93 2jsn s ASP 10 N -0.50 6.52 0.00 1.96 2.15 -1.26 -4.92 116.67 120.62 2jsn s ASP 10 Ca 0.61 2.85 0.00 0.00 0.43 0.00 0.00 52.55 56.44 2jsn s ASP 10 Cb -0.48 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.49 2jsn s ASP 10 CO 0.58 -0.77 0.00 -1.54 -0.17 0.00 0.00 175.17 173.27 2jsn n SER 11 N 1.40 3.11 0.00 -0.34 3.41 -1.26 -2.67 113.62 117.27 2jsn n SER 11 Ca 0.04 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2jsn n SER 11 Cb 0.40 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 2jsn n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jsn n TYR 12 N -1.07 0.00 -1.95 7.33 4.11 -1.23 -4.13 117.16 120.23 2jsn n TYR 12 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.51 2jsn n TYR 12 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.35 2jsn n TYR 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jsn s ALA 13 N 0.00 3.11 0.99 -3.48 0.00 -1.26 -5.00 121.76 116.12 2jsn s ALA 13 Ca 0.00 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 2jsn s ALA 13 Cb 0.00 -3.52 0.18 0.00 0.00 0.00 0.00 23.12 19.78 2jsn s ALA 13 CO 0.00 -1.03 1.10 -1.25 0.00 0.00 0.00 175.76 174.58 2jsn s PRO 14 N -2.51 0.54 0.05 0.00 0.04 -1.26 -4.85 135.00 127.01 2jsn s PRO 14 Ca 0.62 0.50 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2jsn s PRO 14 Cb -0.39 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2jsn s PRO 14 CO 0.49 -2.66 0.00 0.54 0.04 0.00 0.00 177.00 175.41 2jsn n ARG 15 N -4.12 -4.55 -0.01 4.56 1.74 -1.26 -4.91 116.66 108.11 2jsn n ARG 15 Ca 0.05 3.27 0.02 0.00 -0.77 0.00 0.00 57.85 60.42 2jsn n ARG 15 Cb 0.57 -4.06 0.35 0.00 -1.02 0.00 0.00 32.46 28.30 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jsn h ALA 16 N 4.28 1.51 -2.71 7.54 0.00 -1.94 -3.46 119.26 124.48 2jsn h ALA 16 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2jsn h ALA 16 Cb 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 17.49 2jsn h ALA 16 CO 0.00 0.37 -0.00 -1.83 0.00 0.00 0.00 179.25 177.79 2jsn s GLU 17 N -5.22 1.08 0.25 0.00 -1.05 -1.26 -1.87 118.70 110.63 2jsn s GLU 17 Ca -0.08 -0.52 -0.13 0.00 -0.15 0.00 0.00 54.97 54.10 2jsn s GLU 17 Cb 0.16 0.48 -0.00 0.00 -0.44 0.00 0.00 34.13 34.33 2jsn s GLU 17 CO 0.75 -0.42 0.48 0.00 0.95 0.00 0.00 175.26 177.02 2jsn s ALA 18 N -3.32 -0.23 -0.04 -0.84 0.00 0.01 -4.97 121.76 112.37 2jsn s ALA 18 Ca -0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 2jsn s ALA 18 Cb 0.00 1.07 0.02 0.00 0.00 0.00 0.00 23.12 24.21 2jsn s ALA 18 CO -0.09 -0.85 0.09 -2.00 0.00 0.00 0.00 175.76 172.91 2jsn s GLU 19 N -4.01 0.09 0.22 0.00 2.12 -1.26 -1.34 118.70 114.51 2jsn s GLU 19 Ca 0.23 0.18 -0.18 0.00 0.36 0.00 0.00 54.97 55.55 2jsn s GLU 19 Cb -0.01 -0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.39 2jsn s GLU 19 CO 0.09 -0.06 0.57 0.21 -0.54 0.00 0.00 175.26 175.54 2jsn s LYS 20 N 0.36 1.49 0.02 4.30 2.20 -0.57 -5.01 119.74 122.52 2jsn s LYS 20 Ca -0.03 -0.89 0.06 0.00 -0.36 0.00 0.00 55.97 54.75 2jsn s LYS 20 Cb -0.04 0.54 -0.02 0.00 -1.51 0.00 0.00 37.83 36.81 2jsn s LYS 20 CO -0.01 -0.65 -0.19 0.99 -0.36 0.00 0.00 175.35 175.13 2jsn s THR 21 N -3.89 1.47 0.30 3.43 2.01 -1.26 -0.91 115.64 116.80 2jsn s THR 21 Ca 0.10 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.18 2jsn s THR 21 Cb -0.02 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 2jsn s THR 21 CO -0.00 0.27 0.30 0.49 -0.69 0.00 0.00 174.62 174.99 2jsn n PHE 22 N 2.22 -0.87 -3.71 4.92 3.01 0.12 -4.99 117.46 118.16 2jsn n PHE 22 Ca -0.16 -2.44 -0.11 0.00 1.01 0.00 0.00 57.45 55.75 2jsn n PHE 22 Cb 0.54 0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 40.27 2jsn n PHE 22 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2jsn s SER 23 N -3.07 -0.17 0.56 4.37 0.01 -1.26 -1.27 113.70 112.87 2jsn s SER 23 Ca 0.34 -0.25 -0.16 0.00 1.31 0.00 0.00 55.95 57.19 2jsn s SER 23 Cb 0.01 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.60 2jsn s SER 23 CO 0.24 -0.72 1.02 -0.31 0.41 0.00 0.00 173.24 173.88 2jsn s TYR 24 N -3.12 3.24 -2.08 2.43 1.51 -0.70 -1.55 117.35 117.08 2jsn s TYR 24 Ca -0.01 1.48 0.29 0.00 -1.01 0.00 0.00 57.07 57.81 2jsn s TYR 24 Cb 0.01 -2.89 1.62 0.00 -0.11 0.00 0.00 41.96 40.59 2jsn s TYR 24 CO -0.07 -0.74 2.05 -0.35 -1.11 0.00 0.00 175.55 175.33 2jsn n PRO 25 N -1.88 1.11 -0.32 -1.71 -0.04 -1.26 -4.86 135.00 126.04 2jsn n PRO 25 Ca 0.08 -0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2jsn n PRO 25 Cb 0.53 -1.46 0.28 0.00 -0.04 0.00 0.00 33.50 32.82 2jsn n PRO 25 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2jsn h LEU 26 N 0.39 0.84 -7.62 1.53 5.85 -1.84 -3.40 115.31 111.06 2jsn h LEU 26 Ca 0.00 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 2jsn h LEU 26 Cb 0.08 -0.13 -0.25 0.00 0.37 0.00 0.00 40.66 40.73 2jsn h LEU 26 CO 0.00 0.46 -0.53 -0.62 -0.34 0.00 0.00 178.44 177.40 2jsn s ASP 27 N -5.77 -0.11 0.00 1.25 2.15 -0.60 -5.00 116.67 108.59 2jsn s ASP 27 Ca -0.11 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2jsn s ASP 27 Cb 0.22 0.28 0.00 0.00 -0.30 0.00 0.00 42.92 43.12 2jsn s ASP 27 CO 0.80 -0.13 0.19 0.00 -0.17 0.00 0.00 175.17 175.87 2jsn n LEU 28 N 2.63 0.00 -3.74 -1.34 -0.00 -1.26 -3.96 117.00 109.33 2jsn n LEU 28 Ca -0.15 -0.69 -0.42 0.00 -0.00 0.00 0.00 56.01 54.75 2jsn n LEU 28 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2jsn n LEU 28 CO 0.21 0.69 2.56 0.18 -0.00 0.00 0.00 177.39 181.03 2jsn n LEU 29 N 0.00 6.92 -4.15 1.47 4.77 -1.26 -4.86 117.00 119.89 2jsn n LEU 29 Ca 0.00 -4.27 -0.13 0.00 -0.03 0.00 0.00 56.01 51.58 2jsn n LEU 29 Cb 0.50 -1.61 -0.11 0.00 -2.33 0.00 0.00 43.42 39.87 2jsn n LEU 29 CO 0.00 1.23 -0.40 -0.76 -1.33 0.00 0.00 177.39 176.12 2jsn s LEU 30 N 1.53 2.41 0.03 2.23 1.02 -1.26 -0.69 118.68 123.95 2jsn s LEU 30 Ca 0.46 -0.81 0.01 0.00 0.02 0.00 0.00 54.13 53.81 2jsn s LEU 30 Cb 0.13 -0.21 -0.02 0.00 0.02 0.00 0.00 46.19 46.11 2jsn s LEU 30 CO -0.07 -0.31 -0.05 -1.59 0.02 0.00 0.00 176.35 174.36 2jsn s LYS 31 N -2.85 0.41 -0.11 1.70 0.00 -0.44 -4.80 119.74 113.66 2jsn s LYS 31 Ca 0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 55.97 55.00 2jsn s LYS 31 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 37.83 37.78 2jsn s LYS 31 CO -0.01 -0.02 1.05 -1.17 0.00 0.00 0.00 175.35 175.20 2jsn s LEU 32 N -1.62 4.24 -0.15 2.77 0.20 -1.26 -0.69 118.68 122.16 2jsn s LEU 32 Ca -0.12 1.57 -0.21 0.00 0.69 0.00 0.00 54.13 56.06 2jsn s LEU 32 Cb -0.09 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 42.17 2jsn s LEU 32 CO -0.01 -0.50 0.54 -2.28 -0.29 0.00 0.00 176.35 173.81 2jsn s HIS 33 N 2.19 -0.55 -1.63 5.38 2.46 -0.11 -4.95 115.29 118.07 2jsn s HIS 33 Ca 0.49 1.24 -0.15 0.00 0.47 0.00 0.00 55.06 57.12 2jsn s HIS 33 Cb -0.19 0.23 0.12 0.00 -0.13 0.00 0.00 32.58 32.60 2jsn s HIS 33 CO 0.17 -0.36 0.75 -3.47 -2.47 0.00 0.00 174.74 169.36 2jsn n ASP 34 N 2.24 -2.98 -2.10 9.88 2.03 -1.26 -0.88 116.55 123.47 2jsn n ASP 34 Ca -0.16 -0.98 -0.14 0.00 0.52 0.00 0.00 54.79 54.03 2jsn n ASP 34 Cb 0.56 -2.97 -0.02 0.00 -0.72 0.00 0.00 41.12 37.97 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 -4.43 -1.85 -3.61 -0.67 -0.58 -1.26 -4.95 120.64 103.28 2jsn n GLU 35 Ca 0.00 0.73 -0.18 0.00 -0.42 0.00 0.00 57.16 57.29 2jsn n GLU 35 Cb 0.53 -5.24 -0.04 0.00 -0.57 0.00 0.00 31.44 26.12 2jsn n GLU 35 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jsn n ARG 36 N -2.56 0.92 -4.86 3.49 5.12 -0.06 -1.85 116.66 116.87 2jsn n ARG 36 Ca -0.16 -2.27 -0.27 0.00 -1.93 0.00 0.00 57.85 53.22 2jsn n ARG 36 Cb 0.58 0.96 -0.16 0.00 -1.16 0.00 0.00 32.46 32.67 2jsn n ARG 36 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2jsn s VAL 37 N -2.38 1.50 0.08 1.55 0.11 -1.26 -0.94 120.40 119.07 2jsn s VAL 37 Ca 0.08 -0.72 0.10 0.00 -2.93 0.00 0.00 61.98 58.50 2jsn s VAL 37 Cb 0.00 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 2jsn s VAL 37 CO 0.05 0.43 -0.25 -0.76 -3.33 0.00 0.00 175.10 171.24 2jsn s LEU 38 N 0.29 2.24 -0.19 2.54 1.02 0.14 -0.71 118.68 124.00 2jsn s LEU 38 Ca -0.10 -0.65 -0.28 0.00 0.02 0.00 0.00 54.13 53.11 2jsn s LEU 38 Cb -0.14 -1.19 -0.05 0.00 0.02 0.00 0.00 46.19 44.82 2jsn s LEU 38 CO 0.04 0.20 2.19 -0.69 0.02 0.00 0.00 176.35 178.11 2jsn s VAL 39 N -0.94 3.01 0.11 -1.59 1.01 -0.03 -1.32 120.40 120.66 2jsn s VAL 39 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2jsn s VAL 39 Cb -0.10 -3.01 -0.22 0.00 0.00 0.00 0.00 36.38 33.05 2jsn s VAL 39 CO 0.04 -0.01 1.24 0.00 0.00 0.00 0.00 175.10 176.37 2jsn h ALA 40 N 14.56 0.34 -2.69 5.51 0.00 -1.22 -0.81 119.26 134.95 2jsn h ALA 40 Ca -0.42 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 53.51 2jsn h ALA 40 Cb 1.24 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 2jsn h ALA 40 CO 0.96 1.24 0.02 0.12 0.00 0.00 0.00 179.25 181.58 2jsn s PHE 41 N -2.70 -0.35 0.00 0.00 5.36 -1.16 -4.86 117.98 114.27 2jsn s PHE 41 Ca 0.00 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2jsn s PHE 41 Cb 0.10 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.12 2jsn s PHE 41 CO 0.83 -0.70 0.00 0.41 -1.46 0.00 0.00 175.22 174.30 2jsn n GLY 42 N 0.03 0.08 0.30 13.12 0.00 -1.26 -4.83 105.19 112.64 2jsn n GLY 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.69 -0.63 1.61 4.20 -1.89 0.51 115.11 119.61 2jsn h GLN 43 Ca 0.00 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 2jsn h GLN 43 Cb 0.04 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2jsn h GLN 43 CO 0.00 0.58 0.09 -0.09 -0.67 0.00 0.00 178.83 178.75 2jsn h ARG 44 N 0.69 1.05 -0.33 1.46 2.43 -1.95 -3.02 114.38 114.71 2jsn h ARG 44 Ca 0.16 -0.29 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 2jsn h ARG 44 Cb 0.16 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2jsn h ARG 44 CO -0.01 0.98 -0.44 0.22 -1.51 0.00 0.00 179.97 179.21 2jsn h ASP 45 N 0.96 0.92 0.00 -3.80 3.58 -1.76 -3.47 116.42 112.85 2jsn h ASP 45 Ca 0.19 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2jsn h ASP 45 Cb 0.45 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2jsn h ASP 45 CO 0.01 1.22 0.00 0.61 -2.88 0.00 0.00 179.24 178.21 2jsn n GLY 46 N 0.18 1.45 3.20 -0.78 0.00 0.06 -5.16 105.19 104.13 2jsn n GLY 46 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2jsn n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jsn s ILE 47 N -1.45 1.19 0.35 -0.61 -4.36 -0.52 -4.99 121.20 110.82 2jsn s ILE 47 Ca 0.00 -1.46 -0.27 0.00 -0.26 0.00 0.00 60.65 58.65 2jsn s ILE 47 Cb 0.00 -1.25 -0.09 0.00 1.25 0.00 0.00 42.46 42.37 2jsn s ILE 47 CO 0.00 -0.30 1.23 -0.60 0.24 0.00 0.00 174.94 175.51 2jsn s ARG 48 N -2.11 4.26 0.70 0.37 3.52 -1.26 -2.98 118.95 121.45 2jsn s ARG 48 Ca 0.02 2.03 -0.14 0.00 -0.13 0.00 0.00 55.73 57.51 2jsn s ARG 48 Cb -0.08 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.40 2jsn s ARG 48 CO 0.02 -0.20 1.12 0.08 -0.81 0.00 0.00 175.30 175.51 2jsn s VAL 49 N -1.24 3.09 0.00 7.11 1.01 -1.26 -3.98 120.40 125.13 2jsn s VAL 49 Ca 0.52 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2jsn s VAL 49 Cb -0.36 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2jsn s VAL 49 CO 0.46 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2jsn n GLY 50 N -0.50 1.78 3.75 4.51 0.00 -0.31 -4.98 105.19 109.45 2jsn n GLY 50 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.06 2.86 0.30 1.61 3.76 -1.26 -4.74 115.29 114.75 2jsn s HIS 51 Ca 0.00 0.89 -0.17 0.00 -0.15 0.00 0.00 55.06 55.63 2jsn s HIS 51 Cb 0.00 -3.97 -0.09 0.00 1.11 0.00 0.00 32.58 29.64 2jsn s HIS 51 CO 0.00 -3.19 0.75 0.00 -0.85 0.00 0.00 174.74 171.45 2jsn s ALA 52 N -0.05 3.33 0.20 -1.40 0.00 0.60 -0.85 121.76 123.60 2jsn s ALA 52 Ca 0.61 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.40 2jsn s ALA 52 Cb -0.45 -2.83 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 2jsn s ALA 52 CO 0.47 0.31 1.14 0.08 0.00 0.00 0.00 175.76 177.76 2jsn s VAL 53 N -1.82 3.65 -0.20 0.00 1.01 0.11 -1.07 120.40 122.07 2jsn s VAL 53 Ca 0.51 1.46 0.05 0.00 0.00 0.00 0.00 61.98 64.00 2jsn s VAL 53 Cb -0.13 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.16 2jsn s VAL 53 CO 0.19 0.27 -0.12 0.18 0.00 0.00 0.00 175.10 175.61 2jsn n LEU 54 N 2.14 2.14 -3.72 3.92 4.32 0.48 -4.75 117.00 121.53 2jsn n LEU 54 Ca 0.02 -0.08 -0.10 0.00 -0.02 0.00 0.00 56.01 55.83 2jsn n LEU 54 Cb 0.45 -0.43 -0.06 0.00 -1.62 0.00 0.00 43.42 41.77 2jsn n LEU 54 CO 0.55 0.74 0.06 0.00 -1.22 0.00 0.00 177.39 177.52 2jsn s ALA 55 N -2.43 -0.67 -0.01 -1.18 0.00 -0.60 -1.14 121.76 115.73 2jsn s ALA 55 Ca -0.23 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2jsn s ALA 55 Cb 0.07 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.77 2jsn s ALA 55 CO 0.55 -0.58 -0.06 0.42 0.00 0.00 0.00 175.76 176.10 2jsn s ILE 56 N -3.70 0.45 -1.10 0.00 1.01 -0.25 -0.85 121.20 116.76 2jsn s ILE 56 Ca 0.03 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 2jsn s ILE 56 Cb 0.03 -0.39 0.06 0.00 0.01 0.00 0.00 42.46 42.17 2jsn s ILE 56 CO -0.11 0.13 0.34 0.59 0.00 0.00 0.00 174.94 175.89 2jsn n ASN 57 N 2.99 -3.18 -0.05 3.58 3.02 0.50 -0.77 115.26 121.35 2jsn n ASN 57 Ca -0.14 -0.22 -0.01 0.00 -0.03 0.00 0.00 54.58 54.18 2jsn n ASN 57 Cb 0.58 -2.68 -0.00 0.00 -0.61 0.00 0.00 39.78 37.06 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jsn n GLY 58 N -1.00 0.48 3.17 7.41 0.00 -1.26 -5.02 105.19 108.97 2jsn n GLY 58 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.93 3.07 0.28 1.61 -1.94 0.05 -5.11 119.30 116.34 2jsn s MET 59 Ca 0.00 -0.80 -0.29 0.00 -1.71 0.00 0.00 55.69 52.89 2jsn s MET 59 Cb 0.00 -2.61 -0.14 0.00 2.01 0.00 0.00 34.83 34.10 2jsn s MET 59 CO 0.00 -0.14 1.08 -3.47 -0.01 0.00 0.00 175.02 172.48 2jsn n ASP 60 N 4.47 1.57 -4.57 3.03 2.03 -1.26 -1.09 116.55 120.73 2jsn n ASP 60 Ca -0.20 1.18 -0.37 0.00 0.52 0.00 0.00 54.79 55.92 2jsn n ASP 60 Cb 0.51 -1.31 -0.11 0.00 -0.72 0.00 0.00 41.12 39.48 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 -0.91 4.97 -1.08 5.18 -7.23 -0.29 -2.09 120.40 118.94 2jsn s VAL 61 Ca 0.60 0.05 -0.23 0.00 -1.81 0.00 0.00 61.98 60.60 2jsn s VAL 61 Cb -0.70 -3.33 -0.02 0.00 0.56 0.00 0.00 36.38 32.89 2jsn s VAL 61 CO 0.59 0.32 1.82 0.21 -0.31 0.00 0.00 175.10 177.73 2jsn s ASN 62 N 1.42 5.61 0.92 4.85 2.47 0.83 -4.80 114.94 126.24 2jsn s ASN 62 Ca 0.06 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 51.93 2jsn s ASN 62 Cb -0.15 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 2jsn s ASN 62 CO 0.06 -2.39 0.00 0.61 -3.72 0.00 0.00 177.10 171.66 2jsn n GLY 63 N 6.29 0.66 0.88 1.21 0.00 -1.26 -1.46 105.19 111.51 2jsn n GLY 63 Ca 0.42 0.50 0.08 0.00 0.00 0.00 0.00 46.02 47.02 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 2.60 -4.23 1.61 1.85 -0.77 -4.19 116.66 113.53 2jsn n ARG 64 Ca 0.00 -2.17 -0.21 0.00 -1.00 0.00 0.00 57.85 54.47 2jsn n ARG 64 Cb 0.00 -1.37 -0.12 0.00 -1.05 0.00 0.00 32.46 29.91 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 -1.05 1.51 1.15 2.89 2.02 -0.54 -1.48 117.35 121.85 2jsn s TYR 65 Ca 0.31 -0.44 -0.17 0.00 -0.37 0.00 0.00 57.07 56.40 2jsn s TYR 65 Cb 0.17 -0.84 0.26 0.00 -0.40 0.00 0.00 41.96 41.15 2jsn s TYR 65 CO 0.22 0.13 1.10 0.95 -1.57 0.00 0.00 175.55 176.39 2jsn s THR 66 N -1.22 1.72 0.30 -0.71 -4.23 0.25 -0.12 115.64 111.63 2jsn s THR 66 Ca 0.02 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 2jsn s THR 66 Cb -0.10 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.54 2jsn s THR 66 CO 0.03 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.00 2jsn h ALA 67 N -2.39 1.54 -0.26 3.99 0.00 -1.72 -2.42 119.26 118.00 2jsn h ALA 67 Ca -0.48 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 2jsn h ALA 67 Cb 1.31 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jsn h ALA 67 CO 0.41 0.29 -0.60 0.22 0.00 0.00 0.00 179.25 179.58 2jsn h ASP 68 N 1.00 0.97 0.00 0.00 3.58 -1.92 -3.48 116.42 116.57 2jsn h ASP 68 Ca 0.42 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 57.32 2jsn h ASP 68 Cb 0.31 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2jsn h ASP 68 CO -0.18 1.35 0.00 0.61 -2.88 0.00 0.00 179.24 178.14 2jsn n GLY 69 N 0.43 0.34 3.74 -0.78 0.00 -0.91 -5.12 105.19 102.88 2jsn n GLY 69 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2jsn n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jsn n LYS 70 N 0.00 2.57 -2.02 1.61 4.76 -1.26 -4.52 118.16 119.30 2jsn n LYS 70 Ca 0.00 0.91 -0.42 0.00 -2.87 0.00 0.00 58.31 55.93 2jsn n LYS 70 Cb 0.00 -2.66 -0.03 0.00 -1.84 0.00 0.00 35.03 30.50 2jsn n LYS 70 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2jsn s GLU 71 N -0.77 4.26 0.30 1.97 2.12 -1.26 -0.58 118.70 124.73 2jsn s GLU 71 Ca 0.63 2.26 -0.01 0.00 0.36 0.00 0.00 54.97 58.21 2jsn s GLU 71 Cb -0.52 -3.17 0.48 0.00 0.26 0.00 0.00 34.13 31.18 2jsn s GLU 71 CO 0.51 -0.51 1.93 -0.39 -0.54 0.00 0.00 175.26 176.26 2jsn h VAL 72 N 3.98 1.12 -0.36 3.70 -1.51 -1.60 0.84 116.25 122.41 2jsn h VAL 72 Ca -0.43 -0.37 -0.15 0.00 -1.23 0.00 0.00 66.70 64.52 2jsn h VAL 72 Cb 1.21 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 2jsn h VAL 72 CO 0.87 0.20 -0.36 -0.07 -1.23 0.00 0.00 177.57 176.98 2jsn h LEU 73 N 1.08 0.89 -0.46 4.19 3.38 -1.91 -0.67 115.31 121.81 2jsn h LEU 73 Ca 0.37 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2jsn h LEU 73 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2jsn h LEU 73 CO -0.12 1.15 -0.07 -0.08 0.09 0.00 0.00 178.44 179.41 2jsn h GLU 74 N 0.70 0.85 -0.37 1.13 4.81 -1.73 -0.37 114.58 119.60 2jsn h GLU 74 Ca 0.07 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2jsn h GLU 74 Cb 0.92 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2jsn h GLU 74 CO 0.08 0.94 0.23 -0.92 -0.73 0.00 0.00 179.01 178.62 2jsn h TYR 75 N 0.69 0.48 -0.27 0.92 3.20 -0.67 0.19 116.97 121.51 2jsn h TYR 75 Ca 0.12 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 2jsn h TYR 75 Cb 0.60 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 2jsn h TYR 75 CO 0.05 0.32 -0.50 -0.07 -1.64 0.00 0.00 178.16 176.32 2jsn h LEU 76 N 0.49 0.83 -0.91 2.82 3.38 -1.09 -3.24 115.31 117.60 2jsn h LEU 76 Ca 0.13 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 2jsn h LEU 76 Cb -0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2jsn h LEU 76 CO -0.03 1.19 -0.47 1.23 0.09 0.00 0.00 178.44 180.44 2jsn h GLY 77 N 0.86 0.00 -6.10 0.83 0.00 -0.72 -3.44 103.07 94.50 2jsn h GLY 77 Ca 0.02 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.71 2jsn h GLY 77 CO 0.11 0.00 1.13 -2.01 0.00 0.00 0.00 176.54 175.77 2jsn n ASN 78 N -3.70 3.07 0.13 0.19 5.15 0.03 -4.87 115.26 115.25 2jsn n ASN 78 Ca -0.01 0.87 0.11 0.00 -0.60 0.00 0.00 54.58 54.96 2jsn n ASN 78 Cb 0.54 -1.32 0.49 0.00 -0.53 0.00 0.00 39.78 38.96 2jsn n ASN 78 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2jsn n PRO 79 N 6.76 0.17 0.08 1.20 -0.04 -1.26 -1.01 135.00 140.90 2jsn n PRO 79 Ca 0.26 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.26 2jsn n PRO 79 Cb 0.26 -1.86 0.40 0.00 -0.04 0.00 0.00 33.50 32.26 2jsn n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsn n ALA 80 N -1.76 1.52 -2.41 0.55 0.00 -1.26 -3.28 120.51 113.88 2jsn n ALA 80 Ca 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 2jsn n ALA 80 Cb 0.20 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.93 3.43 -0.08 0.00 5.15 -0.18 -4.92 115.26 116.72 2jsn n ASN 81 Ca 0.02 -3.03 -0.09 0.00 -0.60 0.00 0.00 54.58 50.87 2jsn n ASN 81 Cb 0.16 -0.41 -0.02 0.00 -0.53 0.00 0.00 39.78 38.98 2jsn n ASN 81 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 2jsn h TYR 82 N 2.42 0.37 -3.73 1.20 3.20 -1.63 -3.41 116.97 115.40 2jsn h TYR 82 Ca 0.14 -0.00 -0.50 0.00 3.14 0.00 0.00 58.73 61.51 2jsn h TYR 82 Cb 1.37 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 2jsn h TYR 82 CO 0.69 0.27 0.42 -1.25 -1.64 0.00 0.00 178.16 176.65 2jsn s PRO 83 N -6.01 4.73 -0.03 1.82 0.04 -1.26 -1.72 135.00 132.56 2jsn s PRO 83 Ca -0.13 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 2jsn s PRO 83 Cb 0.09 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.41 2jsn s PRO 83 CO 0.71 0.32 0.05 0.14 0.04 0.00 0.00 177.00 178.25 2jsn s VAL 84 N -0.93 -0.05 -0.10 -0.36 -7.23 -0.39 -4.97 120.40 106.35 2jsn s VAL 84 Ca 0.44 0.20 -0.04 0.00 -1.81 0.00 0.00 61.98 60.77 2jsn s VAL 84 Cb -0.28 -0.10 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 2jsn s VAL 84 CO 0.36 0.08 0.04 -0.44 -0.31 0.00 0.00 175.10 174.82 2jsn s SER 85 N 1.02 5.53 -0.01 4.85 0.01 -1.26 -0.70 113.70 123.14 2jsn s SER 85 Ca -0.08 0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 2jsn s SER 85 Cb -0.12 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.45 2jsn s SER 85 CO -0.03 0.36 0.02 -0.63 0.41 0.00 0.00 173.24 173.37 2jsn s ILE 86 N -0.79 -0.00 -0.10 1.44 1.01 -0.08 -0.37 121.20 122.30 2jsn s ILE 86 Ca 0.12 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2jsn s ILE 86 Cb -0.12 -0.04 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 2jsn s ILE 86 CO 0.03 0.00 -0.16 -0.60 0.00 0.00 0.00 174.94 174.21 2jsn s ARG 87 N 0.07 3.04 0.11 2.79 3.52 -0.03 -1.52 118.95 126.92 2jsn s ARG 87 Ca -0.00 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 2jsn s ARG 87 Cb -0.01 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2jsn s ARG 87 CO -0.00 0.34 0.25 -0.59 -0.81 0.00 0.00 175.30 174.49 2jsn s PHE 88 N 0.01 0.11 -0.01 5.12 -0.12 -0.45 -0.39 117.98 122.25 2jsn s PHE 88 Ca -0.05 -0.51 -0.11 0.00 -0.05 0.00 0.00 56.93 56.21 2jsn s PHE 88 Cb -0.14 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.29 2jsn s PHE 88 CO 0.04 -0.60 0.49 0.41 -0.05 0.00 0.00 175.22 175.51 2jsn n GLY 89 N -0.12 0.45 3.77 1.99 0.00 -0.23 -0.81 105.19 110.23 2jsn n GLY 89 Ca -0.14 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 4.13 0.47 1.61 3.00 -0.78 -0.29 118.95 125.08 2jsn s ARG 90 Ca 0.12 2.03 0.20 0.00 0.00 0.00 0.00 55.73 58.08 2jsn s ARG 90 Cb -0.00 -2.83 1.16 0.00 0.00 0.00 0.00 34.95 33.28 2jsn s ARG 90 CO -0.00 -0.31 2.01 -1.00 0.00 0.00 0.00 175.30 175.99 2jsn h PRO 91 N 2.91 0.00 -3.92 3.54 0.13 -1.88 -3.41 132.00 129.37 2jsn h PRO 91 Ca -0.49 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 2jsn h PRO 91 Cb 1.24 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.11 2jsn h PRO 91 CO 0.63 0.18 -0.72 1.03 -0.23 0.00 0.00 178.00 178.89 2jsn s ARG 92 N -4.41 0.17 0.07 0.86 0.52 -1.26 -5.10 118.95 109.79 2jsn s ARG 92 Ca -0.03 -0.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 2jsn s ARG 92 Cb 0.15 -0.05 -0.09 0.00 0.52 0.00 0.00 34.95 35.48 2jsn s ARG 92 CO 0.65 0.01 1.88 -1.17 0.02 0.00 0.00 175.30 176.68 2jsn s LEU 93 N -0.48 4.41 -0.21 2.53 1.98 -1.26 -4.94 118.68 120.72 2jsn s LEU 93 Ca -0.04 2.67 -0.17 0.00 -2.89 0.00 0.00 54.13 53.70 2jsn s LEU 93 Cb -0.03 -3.55 0.06 0.00 0.66 0.00 0.00 46.19 43.33 2jsn s LEU 93 CO -0.00 -1.02 0.54 -0.89 -1.89 0.00 0.00 176.35 173.09 2jsn s THR 94 N 3.65 -0.00 0.00 3.68 2.01 -1.26 -5.07 115.64 118.65 2jsn s THR 94 Ca 0.84 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.85 2jsn s THR 94 Cb -0.43 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2jsn s THR 94 CO 0.38 0.01 0.05 -1.54 -0.69 0.00 0.00 174.62 172.83 2jsn n SER 95 N 3.28 0.00 0.00 3.53 3.41 -1.26 -4.88 113.62 117.70 2jsn n SER 95 Ca -0.16 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2jsn n SER 95 Cb 0.56 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68