#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 -1.22 3.14 3.03 0.00 -1.26 -5.19 105.19 103.69 2jsn n GLY 2 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 2jsn n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jsn s HIS 3 N -2.12 0.55 0.09 1.61 4.02 -1.26 -5.19 115.29 113.00 2jsn s HIS 3 Ca 0.00 -1.02 -0.04 0.00 1.02 0.00 0.00 55.06 55.02 2jsn s HIS 3 Cb 0.00 -0.34 -0.02 0.00 -1.02 0.00 0.00 32.58 31.19 2jsn s HIS 3 CO 0.00 -0.46 0.09 -1.01 1.02 0.00 0.00 174.74 174.38 2jsn s HIS 4 N -3.95 0.46 0.18 1.40 0.09 -1.26 -5.18 115.29 107.04 2jsn s HIS 4 Ca 0.12 -0.92 0.01 0.00 -0.00 0.00 0.00 55.06 54.26 2jsn s HIS 4 Cb 0.07 -0.27 -0.04 0.00 -0.00 0.00 0.00 32.58 32.34 2jsn s HIS 4 CO -0.06 -0.50 0.05 -1.01 -0.00 0.00 0.00 174.74 173.22 2jsn s HIS 5 N -3.93 1.18 0.01 1.40 4.02 -1.26 -5.18 115.29 111.53 2jsn s HIS 5 Ca 0.11 -1.16 0.01 0.00 1.02 0.00 0.00 55.06 55.04 2jsn s HIS 5 Cb 0.06 -0.67 -0.01 0.00 -1.02 0.00 0.00 32.58 30.95 2jsn s HIS 5 CO -0.07 -0.37 -0.04 -1.01 1.02 0.00 0.00 174.74 174.28 2jsn s HIS 6 N -3.84 0.31 0.08 1.40 3.76 -1.26 -5.16 115.29 110.58 2jsn s HIS 6 Ca 0.29 -0.18 -0.09 0.00 -0.15 0.00 0.00 55.06 54.93 2jsn s HIS 6 Cb 0.07 -0.20 -0.00 0.00 1.11 0.00 0.00 32.58 33.56 2jsn s HIS 6 CO 0.06 -0.04 0.19 -1.01 -0.85 0.00 0.00 174.74 173.09 2jsn s HIS 7 N -0.45 0.14 0.00 1.40 0.09 -1.26 -5.05 115.29 110.17 2jsn s HIS 7 Ca -0.03 -0.55 0.00 0.00 -0.00 0.00 0.00 55.06 54.48 2jsn s HIS 7 Cb -0.04 -0.06 0.00 0.00 -0.00 0.00 0.00 32.58 32.48 2jsn s HIS 7 CO -0.00 -0.53 0.00 0.72 -0.00 0.00 0.00 174.74 174.93 2jsn n HIS 8 N 0.04 0.00 -1.64 1.40 8.25 -1.26 -5.03 115.22 116.97 2jsn n HIS 8 Ca -0.16 0.00 -0.53 0.00 -0.26 0.00 0.00 57.72 56.78 2jsn n HIS 8 Cb 0.62 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.67 2jsn n HIS 8 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2jsn n LEU 9 N 0.00 2.73 -3.36 2.41 7.94 -1.26 -2.16 117.00 123.31 2jsn n LEU 9 Ca 0.00 0.88 -0.20 0.00 -1.11 0.00 0.00 56.01 55.59 2jsn n LEU 9 Cb 0.00 -1.25 -0.03 0.00 0.53 0.00 0.00 43.42 42.67 2jsn n LEU 9 CO 0.00 -0.36 -0.07 -0.67 -1.11 0.00 0.00 177.39 175.19 2jsn n ASP 10 N 6.91 -2.04 -4.58 1.96 2.03 -1.26 -4.97 116.55 114.60 2jsn n ASP 10 Ca 0.28 -0.28 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2jsn n ASP 10 Cb 0.21 -1.79 0.22 0.00 -0.72 0.00 0.00 41.12 39.04 2jsn n ASP 10 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jsn s SER 11 N -2.57 1.70 0.95 1.67 0.01 -0.92 -5.03 113.70 109.52 2jsn s SER 11 Ca 0.36 1.32 -0.11 0.00 1.31 0.00 0.00 55.95 58.83 2jsn s SER 11 Cb -0.21 -2.05 0.15 0.00 0.21 0.00 0.00 66.02 64.12 2jsn s SER 11 CO 0.45 -3.72 1.04 0.00 0.41 0.00 0.00 173.24 171.41 2jsn n TYR 12 N -4.58 0.37 -4.00 2.43 0.18 -1.26 -4.94 117.16 105.36 2jsn n TYR 12 Ca 0.04 0.33 -0.10 0.00 1.88 0.00 0.00 57.90 60.05 2jsn n TYR 12 Cb 0.56 -1.94 -0.07 0.00 -0.38 0.00 0.00 39.34 37.51 2jsn n TYR 12 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jsn s ALA 13 N -2.59 0.10 -1.15 -3.48 0.00 -1.26 -4.91 121.76 108.48 2jsn s ALA 13 Ca 0.66 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2jsn s ALA 13 Cb -0.23 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2jsn s ALA 13 CO 0.60 -0.68 0.71 -2.30 0.00 0.00 0.00 175.76 174.09 2jsn n PRO 14 N -0.25 0.00 -0.23 0.00 -0.02 -1.26 -0.98 135.00 132.26 2jsn n PRO 14 Ca -0.05 0.25 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 2jsn n PRO 14 Cb 0.63 -1.55 0.18 0.00 -0.02 0.00 0.00 33.50 32.74 2jsn n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2jsn n ARG 15 N -1.21 2.90 -0.81 -0.52 5.12 -1.26 -5.01 116.66 115.87 2jsn n ARG 15 Ca 0.00 -2.19 -0.29 0.00 -1.93 0.00 0.00 57.85 53.44 2jsn n ARG 15 Cb 0.05 -1.37 0.23 0.00 -1.16 0.00 0.00 32.46 30.22 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jsn s ALA 16 N -1.24 0.05 1.04 7.54 0.00 -0.15 -5.05 121.76 123.94 2jsn s ALA 16 Ca 0.27 -0.45 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 2jsn s ALA 16 Cb 0.16 -3.10 0.17 0.00 0.00 0.00 0.00 23.12 20.35 2jsn s ALA 16 CO 0.16 -3.63 0.89 0.39 0.00 0.00 0.00 175.76 173.56 2jsn n GLU 17 N -4.78 -1.26 -0.64 0.00 -0.58 -1.24 -5.05 120.64 107.08 2jsn n GLU 17 Ca 0.06 -1.38 -0.29 0.00 -0.42 0.00 0.00 57.16 55.13 2jsn n GLU 17 Cb 0.57 -0.99 0.22 0.00 -0.57 0.00 0.00 31.44 30.66 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jsn s ALA 18 N -3.76 0.31 -0.07 0.62 0.00 -1.26 -4.80 121.76 112.80 2jsn s ALA 18 Ca 0.52 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.59 2jsn s ALA 18 Cb -0.02 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.81 2jsn s ALA 18 CO 0.37 -3.39 0.01 -1.21 0.00 0.00 0.00 175.76 171.53 2jsn s GLU 19 N -4.55 0.55 0.04 0.00 2.02 -1.26 -3.45 118.70 112.04 2jsn s GLU 19 Ca 0.68 0.12 -0.18 0.00 0.02 0.00 0.00 54.97 55.61 2jsn s GLU 19 Cb -0.24 -0.92 0.03 0.00 0.10 0.00 0.00 34.13 33.10 2jsn s GLU 19 CO 0.62 -0.30 0.40 0.21 0.02 0.00 0.00 175.26 176.21 2jsn s LYS 20 N 1.94 0.89 0.23 1.61 2.20 -0.65 -5.00 119.74 120.97 2jsn s LYS 20 Ca 0.04 -0.36 -0.23 0.00 -0.36 0.00 0.00 55.97 55.06 2jsn s LYS 20 Cb -0.12 0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 36.51 2jsn s LYS 20 CO -0.05 -0.30 0.80 0.95 -0.36 0.00 0.00 175.35 176.39 2jsn s THR 21 N -2.41 4.41 0.09 3.43 -4.23 -1.26 -0.96 115.64 114.71 2jsn s THR 21 Ca -0.06 1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 62.00 2jsn s THR 21 Cb -0.01 -3.99 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 2jsn s THR 21 CO -0.02 0.29 0.02 -0.36 -0.54 0.00 0.00 174.62 174.01 2jsn s PHE 22 N -1.43 0.69 0.22 3.99 0.08 -0.03 -4.98 117.98 116.53 2jsn s PHE 22 Ca 0.43 -1.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.18 2jsn s PHE 22 Cb -0.19 -0.43 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 2jsn s PHE 22 CO 0.23 -0.45 0.50 -1.12 -0.10 0.00 0.00 175.22 174.28 2jsn s SER 23 N -2.98 -0.15 0.38 1.36 0.01 -1.26 -1.32 113.70 109.73 2jsn s SER 23 Ca 0.16 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.71 2jsn s SER 23 Cb 0.08 0.58 -0.03 0.00 0.21 0.00 0.00 66.02 66.85 2jsn s SER 23 CO -0.04 -1.11 0.12 -0.31 0.41 0.00 0.00 173.24 172.31 2jsn s TYR 24 N -3.95 1.79 0.53 2.43 2.02 -1.26 -4.79 117.35 114.12 2jsn s TYR 24 Ca 0.16 -1.24 -0.19 0.00 -0.37 0.00 0.00 57.07 55.43 2jsn s TYR 24 Cb -0.01 -1.13 -0.09 0.00 -0.40 0.00 0.00 41.96 40.33 2jsn s TYR 24 CO 0.04 -0.28 0.64 -2.30 -1.57 0.00 0.00 175.55 172.08 2jsn n PRO 25 N -0.81 0.66 -1.75 -1.71 -0.02 -1.26 -5.00 135.00 125.11 2jsn n PRO 25 Ca -0.04 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 2jsn n PRO 25 Cb 0.65 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.36 2jsn n PRO 25 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2jsn n LEU 26 N 0.45 4.46 -0.46 2.45 4.32 -1.26 -4.92 117.00 122.04 2jsn n LEU 26 Ca 0.12 1.21 0.02 0.00 -0.02 0.00 0.00 56.01 57.33 2jsn n LEU 26 Cb 0.45 -1.59 0.03 0.00 -1.62 0.00 0.00 43.42 40.69 2jsn n LEU 26 CO 0.52 0.04 0.30 -0.67 -1.22 0.00 0.00 177.39 176.36 2jsn n ASP 27 N 0.88 0.49 -4.05 -1.43 2.03 -1.26 -5.05 116.55 108.16 2jsn n ASP 27 Ca 0.03 -2.22 -0.10 0.00 0.52 0.00 0.00 54.79 53.03 2jsn n ASP 27 Cb 0.38 -0.25 -0.07 0.00 -0.72 0.00 0.00 41.12 40.46 2jsn n ASP 27 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2jsn s LEU 28 N -0.56 0.62 -0.01 -2.67 0.05 -1.26 -4.89 118.68 109.95 2jsn s LEU 28 Ca 0.08 -1.04 -0.05 0.00 0.05 0.00 0.00 54.13 53.17 2jsn s LEU 28 Cb 0.07 1.33 0.00 0.00 -2.05 0.00 0.00 46.19 45.54 2jsn s LEU 28 CO -0.00 -1.03 0.10 -0.76 -0.55 0.00 0.00 176.35 174.11 2jsn s LEU 29 N -3.05 1.68 0.14 1.48 1.43 0.00 -4.98 118.68 115.39 2jsn s LEU 29 Ca 0.26 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 2jsn s LEU 29 Cb 0.02 0.45 -0.04 0.00 0.03 0.00 0.00 46.19 46.65 2jsn s LEU 29 CO 0.09 -0.22 -0.16 -0.76 0.23 0.00 0.00 176.35 175.52 2jsn s LEU 30 N -0.80 2.42 0.03 1.79 1.02 -1.26 -0.26 118.68 121.62 2jsn s LEU 30 Ca -0.09 -0.83 -0.04 0.00 0.02 0.00 0.00 54.13 53.19 2jsn s LEU 30 Cb -0.05 -0.69 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 2jsn s LEU 30 CO 0.01 -0.09 0.07 -1.59 0.02 0.00 0.00 176.35 174.77 2jsn s LYS 31 N -2.71 0.53 -0.14 1.70 0.00 -0.02 -4.73 119.74 114.37 2jsn s LYS 31 Ca 0.12 -0.74 -0.29 0.00 0.00 0.00 0.00 55.97 55.06 2jsn s LYS 31 Cb -0.05 0.21 -0.02 0.00 0.00 0.00 0.00 37.83 37.97 2jsn s LYS 31 CO 0.05 -0.12 1.20 -1.17 0.00 0.00 0.00 175.35 175.30 2jsn s LEU 32 N -2.02 4.20 -0.11 2.77 2.96 -1.26 -0.75 118.68 124.46 2jsn s LEU 32 Ca -0.07 1.67 -0.18 0.00 -0.22 0.00 0.00 54.13 55.33 2jsn s LEU 32 Cb -0.02 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.17 2jsn s LEU 32 CO -0.04 -0.68 0.46 -2.28 -1.32 0.00 0.00 176.35 172.49 2jsn s HIS 33 N 2.99 -0.45 -1.47 5.38 2.46 0.03 -4.94 115.29 119.29 2jsn s HIS 33 Ca 0.53 0.98 -0.02 0.00 0.47 0.00 0.00 55.06 57.02 2jsn s HIS 33 Cb -0.21 0.19 0.00 0.00 -0.13 0.00 0.00 32.58 32.43 2jsn s HIS 33 CO 0.16 -0.34 0.20 -3.47 -2.47 0.00 0.00 174.74 168.82 2jsn n ASP 34 N 2.12 0.10 0.00 9.88 2.03 -1.26 -1.49 116.55 127.93 2jsn n ASP 34 Ca -0.16 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 53.97 2jsn n ASP 34 Cb 0.57 -2.15 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 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 -4.54 -1.55 -4.37 -0.67 1.02 -1.26 -4.95 120.64 104.32 2jsn n GLU 35 Ca -0.31 0.39 -0.19 0.00 -0.02 0.00 0.00 57.16 57.03 2jsn n GLU 35 Cb 0.69 -4.88 -0.10 0.00 -0.02 0.00 0.00 31.44 27.12 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 -1.77 1.39 -0.16 3.49 0.52 -0.56 -3.98 118.95 117.88 2jsn s ARG 36 Ca 0.00 -1.63 -0.24 0.00 -0.52 0.00 0.00 55.73 53.33 2jsn s ARG 36 Cb 0.00 -1.18 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 2jsn s ARG 36 CO 0.00 0.18 0.79 0.14 0.02 0.00 0.00 175.30 176.43 2jsn s VAL 37 N -2.94 4.92 0.09 3.52 -7.23 -0.61 -0.79 120.40 117.37 2jsn s VAL 37 Ca 0.24 1.55 0.08 0.00 -1.81 0.00 0.00 61.98 62.04 2jsn s VAL 37 Cb -0.01 -4.10 -0.04 0.00 0.56 0.00 0.00 36.38 32.80 2jsn s VAL 37 CO 0.08 0.07 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.03 2jsn s LEU 38 N 1.95 2.82 -0.30 1.32 1.43 0.07 -2.29 118.68 123.68 2jsn s LEU 38 Ca 0.37 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.73 2jsn s LEU 38 Cb -0.17 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2jsn s LEU 38 CO 0.13 0.20 1.91 -0.69 0.23 0.00 0.00 176.35 178.13 2jsn s VAL 39 N -1.11 3.36 0.16 -1.59 1.01 0.14 -0.84 120.40 121.52 2jsn s VAL 39 Ca 0.18 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 2jsn s VAL 39 Cb -0.11 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.71 2jsn s VAL 39 CO 0.10 -0.31 1.45 0.00 0.00 0.00 0.00 175.10 176.34 2jsn h ALA 40 N 13.44 0.57 -2.09 5.51 0.00 -0.91 -0.34 119.26 135.43 2jsn h ALA 40 Ca -0.36 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 2jsn h ALA 40 Cb 1.19 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.69 2jsn h ALA 40 CO 1.01 0.69 0.09 0.12 0.00 0.00 0.00 179.25 181.16 2jsn s PHE 41 N -4.04 -0.71 0.00 0.00 5.36 -0.76 -4.82 117.98 113.01 2jsn s PHE 41 Ca -0.09 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 2jsn s PHE 41 Cb 0.11 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 2jsn s PHE 41 CO 0.87 -0.41 0.34 0.41 -1.46 0.00 0.00 175.22 174.97 2jsn n GLY 42 N 2.32 0.40 0.21 13.12 0.00 -1.26 -0.82 105.19 119.16 2jsn n GLY 42 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2jsn n GLY 42 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2jsn h GLN 43 N 0.00 0.00 -0.30 1.61 5.75 -1.83 -0.03 115.11 120.31 2jsn h GLN 43 Ca -0.08 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.29 2jsn h GLN 43 Cb 0.66 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.20 2jsn h GLN 43 CO -0.04 0.29 -0.33 0.00 -2.65 0.00 0.00 178.83 176.09 2jsn h ARG 44 N 0.00 0.66 -0.46 1.69 3.08 -1.93 -2.62 114.38 114.79 2jsn h ARG 44 Ca -0.00 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 2jsn h ARG 44 Cb 0.70 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2jsn h ARG 44 CO 0.04 0.90 -0.08 0.22 -1.07 0.00 0.00 179.97 179.97 2jsn h ASP 45 N 0.56 0.87 0.00 7.04 1.82 -1.75 -3.47 116.42 121.49 2jsn h ASP 45 Ca 0.06 -0.35 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 2jsn h ASP 45 Cb 0.83 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.60 2jsn h ASP 45 CO 0.07 1.02 0.00 0.61 -1.61 0.00 0.00 179.24 179.33 2jsn n GLY 46 N -0.25 0.46 3.67 -0.78 0.00 -0.29 -5.13 105.19 102.87 2jsn n GLY 46 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2jsn n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jsn s ILE 47 N 0.00 3.92 0.32 -0.61 1.01 -0.18 -4.81 121.20 120.86 2jsn s ILE 47 Ca 0.00 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 2jsn s ILE 47 Cb 0.00 -3.75 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 2jsn s ILE 47 CO 0.00 -0.08 1.51 -0.60 0.00 0.00 0.00 174.94 175.77 2jsn s ARG 48 N 3.49 4.15 0.48 2.79 3.52 -1.26 -2.76 118.95 129.36 2jsn s ARG 48 Ca 0.63 2.52 -0.24 0.00 -0.13 0.00 0.00 55.73 58.51 2jsn s ARG 48 Cb -0.28 -3.02 -0.07 0.00 -1.56 0.00 0.00 34.95 30.03 2jsn s ARG 48 CO 0.22 -0.54 1.40 0.08 -0.81 0.00 0.00 175.30 175.65 2jsn s VAL 49 N -0.53 2.10 0.00 7.11 1.01 -1.26 -3.55 120.40 125.28 2jsn s VAL 49 Ca 0.58 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2jsn s VAL 49 Cb -0.46 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2jsn s VAL 49 CO 0.54 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2jsn n GLY 50 N 0.63 0.70 3.75 4.51 0.00 -0.14 -5.00 105.19 109.64 2jsn n GLY 50 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.72 3.03 0.13 1.61 3.76 -1.23 -4.58 115.29 115.28 2jsn s HIS 51 Ca 0.00 1.14 -0.22 0.00 -0.15 0.00 0.00 55.06 55.84 2jsn s HIS 51 Cb 0.00 -3.78 -0.07 0.00 1.11 0.00 0.00 32.58 29.84 2jsn s HIS 51 CO 0.00 -2.42 0.67 0.00 -0.85 0.00 0.00 174.74 172.14 2jsn s ALA 52 N -0.32 3.52 0.39 -1.40 0.00 0.50 -0.68 121.76 123.78 2jsn s ALA 52 Ca 0.56 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 52.44 2jsn s ALA 52 Cb -0.41 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2jsn s ALA 52 CO 0.46 0.35 1.27 0.08 0.00 0.00 0.00 175.76 177.92 2jsn s VAL 53 N -1.17 2.75 0.00 0.00 1.01 -0.97 -1.23 120.40 120.79 2jsn s VAL 53 Ca 0.33 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2jsn s VAL 53 Cb -0.21 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2jsn s VAL 53 CO 0.22 0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.60 2jsn n LEU 54 N 0.21 0.77 -3.64 3.92 4.77 0.27 -4.85 117.00 118.44 2jsn n LEU 54 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2jsn n LEU 54 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2jsn n LEU 54 CO 0.55 0.13 0.15 0.00 -1.33 0.00 0.00 177.39 176.89 2jsn s ALA 55 N -2.00 -0.91 -0.02 -1.18 0.00 -0.54 -1.41 121.76 115.71 2jsn s ALA 55 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2jsn s ALA 55 Cb 0.00 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.79 2jsn s ALA 55 CO 0.00 -0.63 -0.04 0.42 0.00 0.00 0.00 175.76 175.51 2jsn s ILE 56 N -3.73 0.38 -0.91 0.00 1.01 -0.29 -1.06 121.20 116.60 2jsn s ILE 56 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2jsn s ILE 56 Cb 0.02 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.12 2jsn s ILE 56 CO -0.11 0.14 0.00 0.59 0.00 0.00 0.00 174.94 175.56 2jsn n ASN 57 N 3.43 -3.40 0.00 3.58 3.02 0.36 -0.58 115.26 121.67 2jsn n ASN 57 Ca -0.19 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2jsn n ASN 57 Cb 0.55 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.78 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 -0.71 2.09 3.60 7.41 0.00 -1.26 -5.02 105.19 111.30 2jsn n GLY 58 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.28 3.85 0.17 1.61 -1.94 0.26 -5.03 119.30 117.94 2jsn s MET 59 Ca 0.00 0.51 -0.33 0.00 -1.71 0.00 0.00 55.69 54.16 2jsn s MET 59 Cb 0.00 -3.78 -0.15 0.00 2.01 0.00 0.00 34.83 32.91 2jsn s MET 59 CO 0.00 -0.85 1.35 -3.47 -0.01 0.00 0.00 175.02 172.05 2jsn n ASP 60 N 6.52 2.16 -4.77 3.03 2.03 -1.26 -1.14 116.55 123.12 2jsn n ASP 60 Ca 0.05 1.13 -0.38 0.00 0.52 0.00 0.00 54.79 56.11 2jsn n ASP 60 Cb 0.48 -1.31 -0.06 0.00 -0.72 0.00 0.00 41.12 39.51 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 0.21 5.12 -1.32 5.18 -7.23 -0.50 -2.81 120.40 119.04 2jsn s VAL 61 Ca 0.75 0.88 -0.16 0.00 -1.81 0.00 0.00 61.98 61.64 2jsn s VAL 61 Cb -0.78 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 32.40 2jsn s VAL 61 CO 0.47 0.43 2.10 -3.20 -0.31 0.00 0.00 175.10 174.60 2jsn n ASN 62 N 2.92 3.78 0.00 4.85 5.15 0.95 -4.77 115.26 128.14 2jsn n ASN 62 Ca -0.10 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.06 2jsn n ASN 62 Cb 0.52 -1.59 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 4.41 0.57 0.00 8.20 0.00 -1.26 -1.56 105.19 115.55 2jsn n GLY 63 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.35 -4.36 1.61 1.85 -1.26 -1.57 116.66 113.29 2jsn n ARG 64 Ca 0.00 -0.04 -0.27 0.00 -1.00 0.00 0.00 57.85 56.55 2jsn n ARG 64 Cb 0.00 -0.34 -0.11 0.00 -1.05 0.00 0.00 32.46 30.97 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 -0.06 2.45 1.19 2.89 2.02 -0.60 -1.27 117.35 123.96 2jsn s TYR 65 Ca 0.00 -0.30 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 2jsn s TYR 65 Cb 0.00 -1.21 0.28 0.00 -0.40 0.00 0.00 41.96 40.63 2jsn s TYR 65 CO 0.00 0.50 1.11 0.95 -1.57 0.00 0.00 175.55 176.54 2jsn s THR 66 N -1.66 1.63 0.30 -0.71 -4.23 0.33 -0.04 115.64 111.26 2jsn s THR 66 Ca 0.22 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 2jsn s THR 66 Cb -0.08 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.54 2jsn s THR 66 CO 0.12 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.11 2jsn h ALA 67 N -2.53 1.51 -0.18 3.99 0.00 -1.82 -2.53 119.26 117.71 2jsn h ALA 67 Ca -0.46 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 2jsn h ALA 67 Cb 1.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jsn h ALA 67 CO 0.36 0.35 -0.66 0.22 0.00 0.00 0.00 179.25 179.52 2jsn h ASP 68 N 1.03 0.77 0.00 0.00 3.58 -1.92 -3.48 116.42 116.40 2jsn h ASP 68 Ca 0.39 -0.46 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2jsn h ASP 68 Cb 0.21 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2jsn h ASP 68 CO -0.15 1.23 0.00 0.61 -2.88 0.00 0.00 179.24 178.04 2jsn n GLY 69 N 0.48 0.74 3.76 -0.78 0.00 -0.95 -5.12 105.19 103.31 2jsn n GLY 69 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.24 0.08 1.61 -0.14 -1.26 -4.57 119.74 119.70 2jsn s LYS 70 Ca 0.00 2.37 -0.31 0.00 -1.36 0.00 0.00 55.97 56.67 2jsn s LYS 70 Cb 0.00 -3.07 -0.08 0.00 -1.68 0.00 0.00 37.83 33.00 2jsn s LYS 70 CO 0.00 -0.42 1.62 -2.00 -0.76 0.00 0.00 175.35 173.79 2jsn s GLU 71 N -0.98 4.21 0.33 1.68 2.12 -1.26 -0.52 118.70 124.28 2jsn s GLU 71 Ca 0.57 2.31 0.04 0.00 0.36 0.00 0.00 54.97 58.25 2jsn s GLU 71 Cb -0.43 -3.52 0.65 0.00 0.26 0.00 0.00 34.13 31.09 2jsn s GLU 71 CO 0.49 -0.70 1.93 0.28 -0.54 0.00 0.00 175.26 176.73 2jsn h VAL 72 N 4.67 1.03 -0.60 3.70 2.07 -1.51 0.33 116.25 125.94 2jsn h VAL 72 Ca -0.42 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2jsn h VAL 72 Cb 1.20 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2jsn h VAL 72 CO 0.92 0.16 0.22 -0.07 0.02 0.00 0.00 177.57 178.83 2jsn h LEU 73 N 0.88 0.84 -0.41 2.57 3.38 -1.90 -0.33 115.31 120.34 2jsn h LEU 73 Ca 0.35 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 2jsn h LEU 73 Cb 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jsn h LEU 73 CO -0.13 0.79 -0.59 -0.33 0.09 0.00 0.00 178.44 178.28 2jsn h GLU 74 N 0.84 0.66 -0.64 1.13 5.08 -1.72 -0.97 114.58 118.95 2jsn h GLU 74 Ca 0.20 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2jsn h GLU 74 Cb 0.23 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2jsn h GLU 74 CO -0.01 1.06 0.42 -0.92 -1.00 0.00 0.00 179.01 178.55 2jsn h TYR 75 N 0.49 0.81 -0.01 4.33 3.20 -0.49 0.15 116.97 125.45 2jsn h TYR 75 Ca 0.00 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 2jsn h TYR 75 Cb 1.16 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2jsn h TYR 75 CO 0.06 0.52 -0.92 -0.07 -1.64 0.00 0.00 178.16 176.10 2jsn h LEU 76 N 0.87 0.56 -1.33 2.82 3.38 -1.08 -3.26 115.31 117.26 2jsn h LEU 76 Ca 0.23 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2jsn h LEU 76 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2jsn h LEU 76 CO -0.05 1.23 -0.08 1.23 0.09 0.00 0.00 178.44 180.87 2jsn h GLY 77 N 1.18 0.38 -6.01 0.83 0.00 -0.69 -3.41 103.07 95.33 2jsn h GLY 77 Ca -0.08 -0.23 -0.56 0.00 0.00 0.00 0.00 47.33 46.47 2jsn h GLY 77 CO 0.16 0.21 1.33 -2.01 0.00 0.00 0.00 176.54 176.24 2jsn n ASN 78 N -4.28 3.78 0.13 0.19 5.15 -0.00 -4.89 115.26 115.33 2jsn n ASN 78 Ca 0.00 0.63 0.12 0.00 -0.60 0.00 0.00 54.58 54.73 2jsn n ASN 78 Cb 0.26 -1.53 0.49 0.00 -0.53 0.00 0.00 39.78 38.46 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 7.99 0.19 0.13 1.20 -0.04 -1.26 -1.10 135.00 142.11 2jsn n PRO 79 Ca 0.24 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 64.22 2jsn n PRO 79 Cb 0.42 -1.87 0.49 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.77 1.32 -2.47 0.55 0.00 -1.26 -2.53 120.51 114.35 2jsn n ALA 80 Ca 0.02 0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 2jsn n ALA 80 Cb 0.23 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.15 1.70 0.25 0.00 5.15 -0.26 -4.89 115.26 115.06 2jsn n ASN 81 Ca 0.00 -2.41 -0.15 0.00 -0.60 0.00 0.00 54.58 51.42 2jsn n ASN 81 Cb 0.12 -0.40 -0.08 0.00 -0.53 0.00 0.00 39.78 38.89 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 1.72 -0.57 -3.06 1.20 -1.99 -1.23 -3.43 116.97 109.61 2jsn h TYR 82 Ca -0.11 -0.01 -0.54 0.00 2.00 0.00 0.00 58.73 60.07 2jsn h TYR 82 Cb 1.53 0.19 0.00 0.00 2.00 0.00 0.00 36.73 40.45 2jsn h TYR 82 CO 0.44 -0.28 0.69 -1.25 -0.00 0.00 0.00 178.16 177.75 2jsn s PRO 83 N -5.39 4.36 0.23 4.88 0.04 -1.26 -4.19 135.00 133.66 2jsn s PRO 83 Ca -0.15 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 2jsn s PRO 83 Cb 0.03 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 2jsn s PRO 83 CO 0.58 -0.41 0.39 0.14 0.04 0.00 0.00 177.00 177.74 2jsn s VAL 84 N 1.60 0.01 -0.03 -0.36 -7.23 -0.43 -5.01 120.40 108.95 2jsn s VAL 84 Ca 0.61 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2jsn s VAL 84 Cb -0.31 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2jsn s VAL 84 CO 0.28 -0.04 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.41 2jsn s SER 85 N -3.04 2.14 0.02 4.85 0.01 -1.26 -0.85 113.70 115.57 2jsn s SER 85 Ca 0.25 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.20 2jsn s SER 85 Cb 0.01 -0.45 -0.01 0.00 0.21 0.00 0.00 66.02 65.77 2jsn s SER 85 CO 0.08 0.18 -0.10 -0.63 0.41 0.00 0.00 173.24 173.18 2jsn s ILE 86 N -0.15 0.80 -0.08 1.44 1.01 -0.13 -0.49 121.20 123.60 2jsn s ILE 86 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2jsn s ILE 86 Cb -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2jsn s ILE 86 CO 0.01 0.03 -0.19 -0.13 0.00 0.00 0.00 174.94 174.66 2jsn s ARG 87 N -0.74 2.44 0.25 2.79 0.52 -0.22 -1.64 118.95 122.34 2jsn s ARG 87 Ca 0.01 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 2jsn s ARG 87 Cb -0.06 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 2jsn s ARG 87 CO 0.00 0.15 0.15 -0.59 0.02 0.00 0.00 175.30 175.03 2jsn s PHE 88 N 0.39 1.38 0.10 -0.53 -0.12 -1.22 -0.57 117.98 117.42 2jsn s PHE 88 Ca -0.15 -1.39 -0.15 0.00 -0.05 0.00 0.00 56.93 55.19 2jsn s PHE 88 Cb -0.16 -0.68 0.05 0.00 -0.63 0.00 0.00 43.02 41.59 2jsn s PHE 88 CO 0.06 -0.61 0.70 0.41 -0.05 0.00 0.00 175.22 175.73 2jsn n GLY 89 N -0.41 0.78 3.76 1.99 0.00 -0.37 -3.74 105.19 107.22 2jsn n GLY 89 Ca 0.02 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 3.49 0.63 1.61 3.00 -1.26 -0.37 118.95 124.02 2jsn s ARG 90 Ca 0.16 1.85 0.41 0.00 0.00 0.00 0.00 55.73 58.15 2jsn s ARG 90 Cb -0.02 -2.27 2.12 0.00 0.00 0.00 0.00 34.95 34.78 2jsn s ARG 90 CO 0.03 -0.80 2.26 -1.00 0.00 0.00 0.00 175.30 175.79 2jsn h PRO 91 N 1.68 0.00 -3.67 3.54 0.13 -1.89 -3.13 132.00 128.66 2jsn h PRO 91 Ca -0.50 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.01 2jsn h PRO 91 Cb 1.27 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.99 2jsn h PRO 91 CO 0.59 0.00 -0.73 0.50 -0.23 0.00 0.00 178.00 178.13 2jsn s ARG 92 N -4.02 1.23 0.29 0.86 6.06 -1.26 -5.04 118.95 117.06 2jsn s ARG 92 Ca -0.03 -1.74 0.01 0.00 -2.50 0.00 0.00 55.73 51.47 2jsn s ARG 92 Cb 0.12 -2.57 0.70 0.00 0.06 0.00 0.00 34.95 33.25 2jsn s ARG 92 CO 0.45 -1.04 1.64 1.25 -2.50 0.00 0.00 175.30 175.10 2jsn h LEU 93 N 7.38 -0.06 -0.16 -0.88 5.85 -1.94 -1.19 115.31 124.30 2jsn h LEU 93 Ca -0.07 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jsn h LEU 93 Cb 0.98 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2jsn h LEU 93 CO 0.52 -0.18 0.00 0.35 -0.34 0.00 0.00 178.44 178.79 2jsn n THR 94 N -5.26 0.02 0.45 1.05 -2.24 -1.26 -3.85 114.28 103.19 2jsn n THR 94 Ca 0.21 -0.05 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 2jsn n THR 94 Cb 0.68 -0.27 0.26 0.00 -2.10 0.00 0.00 70.33 68.90 2jsn n THR 94 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jsn n SER 95 N -0.72 0.00 0.00 3.42 3.41 -0.45 -5.21 113.62 114.07 2jsn n SER 95 Ca 0.19 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2jsn n SER 95 Cb 0.13 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68