#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 -0.72 3.72 -5.12 0.00 -1.26 -5.02 105.19 96.79 2jsn n GLY 2 Ca 0.00 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 2.06 0.00 1.61 0.09 -1.26 -0.68 115.29 115.11 2jsn s HIS 3 Ca 0.00 1.57 0.00 0.00 -0.00 0.00 0.00 55.06 56.63 2jsn s HIS 3 Cb 0.00 -3.53 0.00 0.00 -0.00 0.00 0.00 32.58 29.05 2jsn s HIS 3 CO 0.00 -2.69 0.00 0.72 -0.00 0.00 0.00 174.74 172.77 2jsn n HIS 4 N -2.46 0.00 -0.09 1.40 -0.00 -1.26 -4.53 115.22 108.27 2jsn n HIS 4 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.73 2jsn n HIS 4 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.44 2jsn n HIS 4 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jsn h HIS 5 N 0.00 0.87 -2.81 4.41 -0.00 -1.90 -3.43 115.15 112.28 2jsn h HIS 5 Ca 0.00 -0.27 -0.53 0.00 -0.00 0.00 0.00 60.37 59.57 2jsn h HIS 5 Cb 0.00 -0.18 0.02 0.00 -0.00 0.00 0.00 27.41 27.25 2jsn h HIS 5 CO 0.00 1.02 0.89 -1.58 -0.00 0.00 0.00 177.93 178.27 2jsn s HIS 6 N -4.34 2.77 0.23 5.26 5.04 0.14 -4.98 115.29 119.41 2jsn s HIS 6 Ca -0.12 0.59 -0.19 0.00 -1.54 0.00 0.00 55.06 53.80 2jsn s HIS 6 Cb 0.09 -3.84 0.03 0.00 0.04 0.00 0.00 32.58 28.89 2jsn s HIS 6 CO 0.84 -3.22 0.61 -1.58 -2.34 0.00 0.00 174.74 169.05 2jsn s HIS 7 N 2.08 -0.15 0.30 3.88 2.46 -1.26 -4.12 115.29 118.48 2jsn s HIS 7 Ca 0.69 -0.23 -0.09 0.00 0.47 0.00 0.00 55.06 55.91 2jsn s HIS 7 Cb -0.38 0.52 0.00 0.00 -0.13 0.00 0.00 32.58 32.60 2jsn s HIS 7 CO 0.30 -1.05 0.51 -3.38 -2.47 0.00 0.00 174.74 168.65 2jsn s HIS 8 N -3.89 0.63 0.50 3.88 -0.00 -1.26 -5.15 115.29 109.99 2jsn s HIS 8 Ca 0.10 -0.97 -0.23 0.00 -0.00 0.00 0.00 55.06 53.97 2jsn s HIS 8 Cb -0.03 0.15 -0.07 0.00 -0.00 0.00 0.00 32.58 32.62 2jsn s HIS 8 CO 0.01 -1.11 1.16 -0.11 -0.00 0.00 0.00 174.74 174.69 2jsn n LEU 9 N -0.47 4.03 -0.20 5.38 7.94 -1.26 -4.89 117.00 127.52 2jsn n LEU 9 Ca -0.01 0.99 0.17 0.00 -1.11 0.00 0.00 56.01 56.04 2jsn n LEU 9 Cb 0.62 -1.46 0.51 0.00 0.53 0.00 0.00 43.42 43.61 2jsn n LEU 9 CO 0.26 -1.10 1.22 -0.78 -1.11 0.00 0.00 177.39 175.88 2jsn h ASP 10 N 1.42 0.40 -3.31 1.96 3.58 -2.01 -3.44 116.42 115.03 2jsn h ASP 10 Ca -0.48 0.03 -0.42 0.00 0.42 0.00 0.00 57.03 56.58 2jsn h ASP 10 Cb 1.32 -0.05 0.20 0.00 1.72 0.00 0.00 39.33 42.53 2jsn h ASP 10 CO 0.56 0.19 0.01 -0.44 -2.88 0.00 0.00 179.24 176.68 2jsn s SER 11 N -5.81 0.45 0.99 2.28 0.01 -1.26 -1.95 113.70 108.41 2jsn s SER 11 Ca -0.08 1.06 -0.11 0.00 1.31 0.00 0.00 55.95 58.13 2jsn s SER 11 Cb 0.22 -1.59 0.18 0.00 0.21 0.00 0.00 66.02 65.04 2jsn s SER 11 CO 0.77 -4.46 1.09 -0.72 0.41 0.00 0.00 173.24 170.33 2jsn s TYR 12 N -2.58 1.73 0.21 2.43 -0.85 -1.26 -4.21 117.35 112.83 2jsn s TYR 12 Ca 0.69 1.46 -0.07 0.00 -0.52 0.00 0.00 57.07 58.62 2jsn s TYR 12 Cb -0.17 -3.20 -0.02 0.00 0.38 0.00 0.00 41.96 38.94 2jsn s TYR 12 CO 0.60 -3.03 0.30 0.00 -1.52 0.00 0.00 175.55 171.90 2jsn s ALA 13 N -2.66 0.41 0.66 9.51 0.00 -0.33 -4.89 121.76 124.45 2jsn s ALA 13 Ca 0.66 -1.24 0.25 0.00 0.00 0.00 0.00 51.96 51.64 2jsn s ALA 13 Cb -0.22 1.17 1.35 0.00 0.00 0.00 0.00 23.12 25.42 2jsn s ALA 13 CO 0.60 -0.71 1.77 -1.35 0.00 0.00 0.00 175.76 176.06 2jsn h PRO 14 N 2.46 0.00 0.00 0.00 0.11 -2.04 -1.77 132.00 130.76 2jsn h PRO 14 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2jsn h PRO 14 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2jsn h PRO 14 CO 0.45 0.00 -0.21 2.89 -0.21 0.00 0.00 178.00 180.92 2jsn n ARG 15 N -2.89 0.57 -4.07 1.05 1.85 -1.26 -5.05 116.66 106.87 2jsn n ARG 15 Ca -0.01 -1.16 -0.15 0.00 -1.00 0.00 0.00 57.85 55.53 2jsn n ARG 15 Cb 0.51 -0.72 -0.14 0.00 -1.05 0.00 0.00 32.46 31.05 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jsn s ALA 16 N -0.59 0.31 -0.38 2.89 0.00 -0.67 -0.92 121.76 122.41 2jsn s ALA 16 Ca 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2jsn s ALA 16 Cb 0.05 -0.09 0.71 0.00 0.00 0.00 0.00 23.12 23.78 2jsn s ALA 16 CO 0.00 0.07 1.85 0.39 0.00 0.00 0.00 175.76 178.07 2jsn n GLU 17 N 3.04 3.08 -0.53 0.00 -0.58 0.29 -1.19 120.64 124.75 2jsn n GLU 17 Ca -0.13 -3.01 0.07 0.00 -0.42 0.00 0.00 57.16 53.67 2jsn n GLU 17 Cb 0.58 -2.19 -0.03 0.00 -0.57 0.00 0.00 31.44 29.23 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jsn n ALA 18 N -0.56 -1.39 -2.19 0.62 0.00 -1.26 -4.66 120.51 111.07 2jsn n ALA 18 Ca 0.49 0.29 -0.40 0.00 0.00 0.00 0.00 53.44 53.82 2jsn n ALA 18 Cb 1.51 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 20.35 2jsn n ALA 18 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2jsn s GLU 19 N -2.81 4.54 0.06 0.00 2.12 -0.82 -3.86 118.70 117.92 2jsn s GLU 19 Ca 0.00 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.46 2jsn s GLU 19 Cb 0.00 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2jsn s GLU 19 CO 0.00 0.42 -0.04 0.15 -0.54 0.00 0.00 175.26 175.25 2jsn s LYS 20 N -0.58 0.61 0.35 4.30 3.01 -0.65 -4.97 119.74 121.82 2jsn s LYS 20 Ca 0.38 -1.11 -0.25 0.00 -1.01 0.00 0.00 55.97 53.98 2jsn s LYS 20 Cb -0.22 0.04 -0.10 0.00 -1.01 0.00 0.00 37.83 36.55 2jsn s LYS 20 CO 0.25 -0.06 0.97 0.95 0.51 0.00 0.00 175.35 177.97 2jsn s THR 21 N -3.22 4.09 0.05 2.17 -4.23 -1.26 -1.16 115.64 112.09 2jsn s THR 21 Ca 0.03 1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 62.17 2jsn s THR 21 Cb 0.03 -3.88 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 2jsn s THR 21 CO -0.06 0.06 0.00 -0.36 -0.54 0.00 0.00 174.62 173.72 2jsn s PHE 22 N -1.68 0.42 0.30 3.99 0.08 0.38 -4.93 117.98 116.54 2jsn s PHE 22 Ca 0.53 -0.91 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 2jsn s PHE 22 Cb -0.19 -0.31 -0.01 0.00 -0.57 0.00 0.00 43.02 41.94 2jsn s PHE 22 CO 0.24 -0.38 0.40 -1.12 -0.10 0.00 0.00 175.22 174.26 2jsn s SER 23 N -2.69 0.63 0.13 1.36 0.01 -1.25 -1.56 113.70 110.33 2jsn s SER 23 Ca 0.03 -1.37 -0.01 0.00 1.31 0.00 0.00 55.95 55.91 2jsn s SER 23 Cb 0.05 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 2jsn s SER 23 CO -0.09 -1.16 0.05 -0.31 0.41 0.00 0.00 173.24 172.15 2jsn s TYR 24 N -3.50 0.84 0.49 2.43 2.02 -1.26 -4.30 117.35 114.07 2jsn s TYR 24 Ca 0.31 -1.22 0.21 0.00 -0.37 0.00 0.00 57.07 55.99 2jsn s TYR 24 Cb 0.01 -0.47 1.24 0.00 -0.40 0.00 0.00 41.96 42.34 2jsn s TYR 24 CO 0.17 -0.51 1.98 -1.35 -1.57 0.00 0.00 175.55 174.26 2jsn h PRO 25 N 2.88 0.18 0.00 -1.71 0.11 -2.00 -3.50 132.00 127.96 2jsn h PRO 25 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2jsn h PRO 25 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2jsn h PRO 25 CO 0.59 0.12 0.00 -0.11 -0.21 0.00 0.00 178.00 178.39 2jsn n LEU 26 N -4.42 0.00 -2.71 2.35 7.94 -1.26 -3.95 117.00 114.94 2jsn n LEU 26 Ca 0.11 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.97 2jsn n LEU 26 Cb 0.54 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.59 2jsn n LEU 26 CO 0.35 0.00 0.38 -0.67 -1.11 0.00 0.00 177.39 176.35 2jsn n ASP 27 N 2.98 -0.62 -3.94 1.96 2.03 -1.26 -5.12 116.55 112.58 2jsn n ASP 27 Ca 0.00 -2.30 -0.09 0.00 0.52 0.00 0.00 54.79 52.92 2jsn n ASP 27 Cb 0.00 0.39 -0.08 0.00 -0.72 0.00 0.00 41.12 40.71 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 -3.70 1.52 0.01 -2.67 2.34 -1.25 -4.22 118.68 110.70 2jsn s LEU 28 Ca 0.18 -0.80 -0.21 0.00 0.06 0.00 0.00 54.13 53.36 2jsn s LEU 28 Cb 0.41 0.88 0.04 0.00 -0.56 0.00 0.00 46.19 46.97 2jsn s LEU 28 CO -0.08 -0.74 0.47 -0.22 -1.06 0.00 0.00 176.35 174.71 2jsn s LEU 29 N -2.91 0.18 0.20 1.48 2.96 -0.24 -4.94 118.68 115.41 2jsn s LEU 29 Ca 0.09 0.22 0.10 0.00 -0.22 0.00 0.00 54.13 54.33 2jsn s LEU 29 Cb 0.05 1.88 -0.04 0.00 0.50 0.00 0.00 46.19 48.58 2jsn s LEU 29 CO -0.07 -0.61 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.37 2jsn s LEU 30 N -1.65 2.46 0.04 -0.68 1.43 -1.26 -0.58 118.68 118.44 2jsn s LEU 30 Ca -0.09 -0.89 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 2jsn s LEU 30 Cb -0.02 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2jsn s LEU 30 CO 0.02 0.05 0.11 -1.59 0.23 0.00 0.00 176.35 175.18 2jsn s LYS 31 N -2.83 0.61 -0.10 1.70 0.00 -0.42 -4.71 119.74 113.98 2jsn s LYS 31 Ca 0.20 -0.73 -0.26 0.00 0.00 0.00 0.00 55.97 55.18 2jsn s LYS 31 Cb -0.07 0.24 -0.02 0.00 0.00 0.00 0.00 37.83 37.98 2jsn s LYS 31 CO 0.09 -0.16 0.83 -1.17 0.00 0.00 0.00 175.35 174.95 2jsn s LEU 32 N -2.12 4.26 -0.13 2.77 1.98 -1.26 -0.64 118.68 123.54 2jsn s LEU 32 Ca -0.05 1.30 -0.22 0.00 -2.89 0.00 0.00 54.13 52.27 2jsn s LEU 32 Cb -0.01 -3.28 0.05 0.00 0.66 0.00 0.00 46.19 43.61 2jsn s LEU 32 CO -0.04 -0.29 0.55 -2.28 -1.89 0.00 0.00 176.35 172.39 2jsn s HIS 33 N 1.53 -0.54 -1.53 5.38 2.46 -0.18 -4.95 115.29 117.45 2jsn s HIS 33 Ca 0.41 1.16 -0.11 0.00 0.47 0.00 0.00 55.06 57.00 2jsn s HIS 33 Cb -0.18 0.24 0.08 0.00 -0.13 0.00 0.00 32.58 32.60 2jsn s HIS 33 CO 0.17 -0.40 0.79 -3.47 -2.47 0.00 0.00 174.74 169.36 2jsn n ASP 34 N 1.96 -3.12 -2.05 9.88 2.03 -1.26 -1.44 116.55 122.55 2jsn n ASP 34 Ca -0.17 -0.89 -0.11 0.00 0.52 0.00 0.00 54.79 54.15 2jsn n ASP 34 Cb 0.56 -3.46 -0.02 0.00 -0.72 0.00 0.00 41.12 37.49 2jsn n ASP 34 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2jsn n GLU 35 N -4.50 -1.93 -4.19 -0.67 0.28 -1.26 -4.97 120.64 103.40 2jsn n GLU 35 Ca -0.06 0.57 -0.12 0.00 -0.16 0.00 0.00 57.16 57.40 2jsn n GLU 35 Cb 0.57 -5.02 -0.10 0.00 1.43 0.00 0.00 31.44 28.31 2jsn n GLU 35 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2jsn s ARG 36 N -4.28 0.89 0.04 3.44 0.52 -0.52 -3.93 118.95 115.10 2jsn s ARG 36 Ca 0.00 -1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 53.56 2jsn s ARG 36 Cb 0.00 -0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.11 2jsn s ARG 36 CO 0.00 0.01 0.96 0.14 0.02 0.00 0.00 175.30 176.43 2jsn s VAL 37 N -3.51 4.74 0.19 3.52 -7.23 -0.85 -1.02 120.40 116.24 2jsn s VAL 37 Ca 0.13 2.03 0.11 0.00 -1.81 0.00 0.00 61.98 62.44 2jsn s VAL 37 Cb 0.04 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.63 2jsn s VAL 37 CO -0.03 0.23 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.98 2jsn s LEU 38 N 0.60 2.43 -0.34 1.32 1.43 0.18 -2.63 118.68 121.67 2jsn s LEU 38 Ca 0.49 -0.86 -0.27 0.00 -1.03 0.00 0.00 54.13 52.46 2jsn s LEU 38 Cb -0.22 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2jsn s LEU 38 CO 0.28 0.12 2.19 -0.69 0.23 0.00 0.00 176.35 178.48 2jsn s VAL 39 N -1.65 3.10 0.15 -1.59 1.01 0.11 -1.30 120.40 120.23 2jsn s VAL 39 Ca 0.20 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2jsn s VAL 39 Cb -0.08 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 2jsn s VAL 39 CO 0.10 -0.13 1.40 0.00 0.00 0.00 0.00 175.10 176.46 2jsn h ALA 40 N 16.10 0.51 -2.29 5.51 0.00 -1.12 -1.27 119.26 136.70 2jsn h ALA 40 Ca -0.34 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 53.89 2jsn h ALA 40 Cb 1.23 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 2jsn h ALA 40 CO 1.05 0.72 -0.07 0.12 0.00 0.00 0.00 179.25 181.07 2jsn s PHE 41 N -3.74 -0.39 0.00 0.00 5.36 -0.97 -4.88 117.98 113.36 2jsn s PHE 41 Ca -0.08 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 56.53 2jsn s PHE 41 Cb 0.10 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 2jsn s PHE 41 CO 0.86 -0.49 0.00 0.41 -1.46 0.00 0.00 175.22 174.55 2jsn n GLY 42 N 1.11 0.56 4.18 13.12 0.00 -1.26 -1.08 105.19 121.82 2jsn n GLY 42 Ca -0.20 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 2jsn n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsn n GLN 43 N 0.00 -1.69 -4.08 1.61 10.64 -0.96 -4.89 117.38 118.01 2jsn n GLN 43 Ca 0.00 0.20 -0.08 0.00 -1.83 0.00 0.00 57.00 55.29 2jsn n GLN 43 Cb 0.00 -4.82 -0.10 0.00 -0.86 0.00 0.00 30.24 24.46 2jsn n GLN 43 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2jsn s ARG 44 N -6.85 0.58 -0.02 2.61 0.52 -1.21 -5.01 118.95 109.56 2jsn s ARG 44 Ca 0.70 -1.12 -0.34 0.00 -0.52 0.00 0.00 55.73 54.45 2jsn s ARG 44 Cb -0.40 0.15 -0.13 0.00 0.52 0.00 0.00 34.95 35.10 2jsn s ARG 44 CO 0.86 -0.09 1.78 -3.47 0.02 0.00 0.00 175.30 174.40 2jsn n ASP 45 N 0.36 3.27 0.00 0.23 2.03 -1.26 -1.18 116.55 120.00 2jsn n ASP 45 Ca -0.16 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.16 2jsn n ASP 45 Cb 0.60 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 2jsn n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsn n GLY 46 N 4.07 2.39 2.46 0.27 0.00 -1.26 -4.88 105.19 108.23 2jsn n GLY 46 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 2jsn n GLY 46 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jsn n ILE 47 N -1.87 0.38 -1.89 -0.61 -5.35 -0.33 -4.70 119.36 105.00 2jsn n ILE 47 Ca 0.00 -3.59 -0.41 0.00 -0.27 0.00 0.00 62.75 58.47 2jsn n ILE 47 Cb 0.00 0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.19 2jsn n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2jsn s ARG 48 N -2.51 4.19 0.32 6.28 0.52 -1.10 -2.27 118.95 124.38 2jsn s ARG 48 Ca 0.32 2.45 -0.29 0.00 -0.52 0.00 0.00 55.73 57.69 2jsn s ARG 48 Cb 0.40 -3.07 -0.11 0.00 0.52 0.00 0.00 34.95 32.69 2jsn s ARG 48 CO -0.02 -0.54 1.58 0.28 0.02 0.00 0.00 175.30 176.61 2jsn n VAL 49 N 2.36 1.29 -0.18 3.52 0.31 -1.26 -2.18 118.33 122.18 2jsn n VAL 49 Ca 0.08 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2jsn n VAL 49 Cb 0.39 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 1.70 1.92 3.78 2.92 0.00 -0.48 -4.97 105.19 110.06 2jsn n GLY 50 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.94 2.71 0.19 1.61 4.02 -0.93 -4.73 115.29 115.22 2jsn s HIS 51 Ca 0.00 1.24 0.07 0.00 1.02 0.00 0.00 55.06 57.39 2jsn s HIS 51 Cb 0.00 -3.10 -0.04 0.00 -1.02 0.00 0.00 32.58 28.42 2jsn s HIS 51 CO 0.00 -1.88 0.03 0.00 1.02 0.00 0.00 174.74 173.91 2jsn s ALA 52 N -3.07 3.27 0.23 -1.40 0.00 -0.05 -0.71 121.76 120.03 2jsn s ALA 52 Ca 0.61 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 2jsn s ALA 52 Cb -0.15 -1.04 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 2jsn s ALA 52 CO 0.55 0.44 1.20 0.08 0.00 0.00 0.00 175.76 178.04 2jsn s VAL 53 N -1.83 3.38 -0.10 0.00 1.01 -1.08 -1.05 120.40 120.73 2jsn s VAL 53 Ca 0.29 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2jsn s VAL 53 Cb -0.09 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 2jsn s VAL 53 CO 0.20 0.23 -0.05 0.18 0.00 0.00 0.00 175.10 175.66 2jsn n LEU 54 N 1.96 2.02 -3.71 3.92 7.99 0.54 -4.83 117.00 124.88 2jsn n LEU 54 Ca 0.03 -0.04 -0.10 0.00 -0.01 0.00 0.00 56.01 55.89 2jsn n LEU 54 Cb 0.44 -0.19 -0.05 0.00 -0.11 0.00 0.00 43.42 43.51 2jsn n LEU 54 CO 0.56 0.53 0.09 0.00 -1.51 0.00 0.00 177.39 177.05 2jsn s ALA 55 N -2.21 -0.71 -0.04 -1.18 0.00 -0.65 -1.51 121.76 115.46 2jsn s ALA 55 Ca -0.11 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2jsn s ALA 55 Cb 0.03 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.81 2jsn s ALA 55 CO 0.28 -0.61 -0.07 0.42 0.00 0.00 0.00 175.76 175.78 2jsn s ILE 56 N -3.83 0.71 -0.85 0.00 1.01 -0.46 -0.65 121.20 117.13 2jsn s ILE 56 Ca 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 2jsn s ILE 56 Cb 0.03 -0.67 0.05 0.00 0.01 0.00 0.00 42.46 41.88 2jsn s ILE 56 CO -0.11 0.24 0.21 0.59 0.00 0.00 0.00 174.94 175.87 2jsn n ASN 57 N 3.66 -2.63 0.00 3.58 3.02 0.35 -0.64 115.26 122.61 2jsn n ASN 57 Ca -0.22 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2jsn n ASN 57 Cb 0.53 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.43 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 -0.84 1.82 3.62 7.41 0.00 -1.26 -5.02 105.19 110.91 2jsn n GLY 58 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.38 3.96 -0.08 1.61 -1.94 0.19 -4.82 119.30 117.85 2jsn s MET 59 Ca 0.00 0.76 -0.38 0.00 -1.71 0.00 0.00 55.69 54.36 2jsn s MET 59 Cb 0.00 -3.76 -0.15 0.00 2.01 0.00 0.00 34.83 32.93 2jsn s MET 59 CO 0.00 -0.85 1.60 -3.47 -0.01 0.00 0.00 175.02 172.29 2jsn n ASP 60 N 6.63 2.31 -4.77 3.03 2.03 -1.26 -1.35 116.55 123.17 2jsn n ASP 60 Ca 0.08 1.08 -0.39 0.00 0.52 0.00 0.00 54.79 56.07 2jsn n ASP 60 Cb 0.48 -1.22 -0.06 0.00 -0.72 0.00 0.00 41.12 39.60 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 2.23 4.30 -1.45 5.18 -7.23 -0.57 -3.61 120.40 119.25 2jsn s VAL 61 Ca 0.91 1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 62.72 2jsn s VAL 61 Cb -0.94 -4.17 -0.00 0.00 0.56 0.00 0.00 36.38 31.83 2jsn s VAL 61 CO 0.54 0.49 2.37 -3.20 -0.31 0.00 0.00 175.10 174.99 2jsn n ASN 62 N 1.50 4.87 0.00 4.85 5.15 0.93 -4.81 115.26 127.73 2jsn n ASN 62 Ca -0.04 -2.76 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 2jsn n ASN 62 Cb 0.48 -1.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 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 4.01 1.02 0.00 8.20 0.00 -1.26 -1.34 105.19 115.81 2jsn n GLY 63 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 0.43 -4.40 1.61 1.85 -1.25 -2.01 116.66 112.89 2jsn n ARG 64 Ca 0.00 -0.61 -0.28 0.00 -1.00 0.00 0.00 57.85 55.96 2jsn n ARG 64 Cb 0.00 -0.58 -0.12 0.00 -1.05 0.00 0.00 32.46 30.71 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 -0.15 2.27 1.11 2.89 2.02 -0.45 -0.53 117.35 124.51 2jsn s TYR 65 Ca 0.00 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.18 2jsn s TYR 65 Cb 0.00 -1.17 0.25 0.00 -0.40 0.00 0.00 41.96 40.63 2jsn s TYR 65 CO 0.00 0.41 1.06 0.95 -1.57 0.00 0.00 175.55 176.40 2jsn s THR 66 N -1.39 1.90 0.31 -0.71 -4.23 0.61 -0.05 115.64 112.08 2jsn s THR 66 Ca 0.17 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 2jsn s THR 66 Cb -0.09 -2.34 0.28 0.00 1.34 0.00 0.00 72.50 71.69 2jsn s THR 66 CO 0.08 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.10 2jsn h ALA 67 N -2.33 1.51 -0.28 3.99 0.00 -1.86 -2.55 119.26 117.75 2jsn h ALA 67 Ca -0.55 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.16 2jsn h ALA 67 Cb 1.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2jsn h ALA 67 CO 0.51 0.39 -0.46 0.22 0.00 0.00 0.00 179.25 179.92 2jsn h ASP 68 N 1.01 0.79 0.00 0.00 3.58 -1.91 -3.47 116.42 116.42 2jsn h ASP 68 Ca 0.35 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2jsn h ASP 68 Cb 0.09 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2jsn h ASP 68 CO -0.11 1.12 0.00 0.61 -2.88 0.00 0.00 179.24 177.98 2jsn n GLY 69 N 0.16 0.28 3.77 -0.78 0.00 -0.96 -5.13 105.19 102.53 2jsn n GLY 69 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 3.93 0.19 1.61 3.01 -1.26 -4.62 119.74 122.60 2jsn s LYS 70 Ca 0.00 1.89 -0.31 0.00 -1.01 0.00 0.00 55.97 56.54 2jsn s LYS 70 Cb 0.00 -2.60 -0.10 0.00 -1.01 0.00 0.00 37.83 34.12 2jsn s LYS 70 CO 0.00 -0.44 1.54 -2.00 0.51 0.00 0.00 175.35 174.96 2jsn s GLU 71 N -2.41 4.22 0.33 1.68 2.12 -1.26 -0.29 118.70 123.09 2jsn s GLU 71 Ca 0.59 2.36 0.04 0.00 0.36 0.00 0.00 54.97 58.32 2jsn s GLU 71 Cb -0.32 -3.14 0.65 0.00 0.26 0.00 0.00 34.13 31.59 2jsn s GLU 71 CO 0.40 -0.57 1.93 0.28 -0.54 0.00 0.00 175.26 176.76 2jsn h VAL 72 N 3.87 1.03 -0.85 3.70 2.07 -1.12 0.52 116.25 125.47 2jsn h VAL 72 Ca -0.44 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2jsn h VAL 72 Cb 1.21 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2jsn h VAL 72 CO 0.88 0.16 0.42 -0.07 0.02 0.00 0.00 177.57 178.98 2jsn h LEU 73 N 0.87 1.10 -0.11 2.57 3.38 -1.90 -0.08 115.31 121.14 2jsn h LEU 73 Ca 0.36 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 58.01 2jsn h LEU 73 Cb 0.27 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jsn h LEU 73 CO -0.13 0.92 -0.68 -0.33 0.09 0.00 0.00 178.44 178.31 2jsn h GLU 74 N 1.21 0.65 0.04 1.13 5.08 -1.60 -0.15 114.58 120.93 2jsn h GLU 74 Ca 0.29 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2jsn h GLU 74 Cb 0.10 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2jsn h GLU 74 CO -0.04 1.17 -0.07 -0.92 -1.00 0.00 0.00 179.01 178.15 2jsn h TYR 75 N 0.31 -0.18 0.00 4.33 3.20 -0.62 -1.24 116.97 122.77 2jsn h TYR 75 Ca -0.05 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.64 2jsn h TYR 75 Cb 1.32 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 2jsn h TYR 75 CO 0.10 -0.11 -0.85 -0.07 -1.64 0.00 0.00 178.16 175.60 2jsn h LEU 76 N -0.14 0.03 -1.08 2.82 3.38 -1.11 -3.23 115.31 115.98 2jsn h LEU 76 Ca 0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2jsn h LEU 76 Cb 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2jsn h LEU 76 CO -0.04 0.86 0.16 1.23 0.09 0.00 0.00 178.44 180.73 2jsn h GLY 77 N 2.44 0.87 -5.80 0.83 0.00 -0.71 -3.41 103.07 97.31 2jsn h GLY 77 Ca -0.01 -0.48 -0.55 0.00 0.00 0.00 0.00 47.33 46.29 2jsn h GLY 77 CO 0.11 0.45 1.25 0.21 0.00 0.00 0.00 176.54 178.56 2jsn s ASN 78 N -6.58 6.26 0.10 0.19 3.84 -0.50 -4.89 114.94 113.37 2jsn s ASN 78 Ca -0.10 2.26 0.16 0.00 0.21 0.00 0.00 52.86 55.39 2jsn s ASN 78 Cb 0.16 -2.53 0.69 0.00 -0.55 0.00 0.00 41.25 39.02 2jsn s ASN 78 CO 0.79 -1.26 1.49 -0.81 -2.79 0.00 0.00 177.10 174.53 2jsn n PRO 79 N 7.75 0.07 0.25 0.43 -0.04 -1.26 -1.16 135.00 141.04 2jsn n PRO 79 Ca 0.21 0.37 0.17 0.00 -0.04 0.00 0.00 63.50 64.21 2jsn n PRO 79 Cb 0.43 -1.65 0.89 0.00 -0.04 0.00 0.00 33.50 33.13 2jsn n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsn h ALA 80 N 2.32 1.00 0.00 0.55 0.00 -1.91 -1.65 119.26 119.56 2jsn h ALA 80 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jsn h ALA 80 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jsn h ALA 80 CO 0.00 0.00 -0.23 0.09 0.00 0.00 0.00 179.25 179.11 2jsn n ASN 81 N -2.68 1.96 0.38 0.00 3.02 -0.31 -4.78 115.26 112.85 2jsn n ASN 81 Ca -0.02 -3.26 -0.18 0.00 -0.03 0.00 0.00 54.58 51.10 2jsn n ASN 81 Cb 0.07 -0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.71 2jsn n ASN 81 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2jsn h TYR 82 N 0.36 -0.89 -2.96 3.10 -1.99 -1.32 -3.40 116.97 109.87 2jsn h TYR 82 Ca -0.01 -0.02 -0.55 0.00 2.00 0.00 0.00 58.73 60.15 2jsn h TYR 82 Cb 1.05 0.30 -0.05 0.00 2.00 0.00 0.00 36.73 40.03 2jsn h TYR 82 CO 0.26 -0.54 1.11 -1.25 -0.00 0.00 0.00 178.16 177.75 2jsn s PRO 83 N -5.70 3.38 0.25 4.88 0.04 -1.26 -3.82 135.00 132.76 2jsn s PRO 83 Ca -0.17 0.72 -0.08 0.00 0.04 0.00 0.00 61.00 61.51 2jsn s PRO 83 Cb 0.03 -4.10 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 2jsn s PRO 83 CO 0.58 -1.83 0.38 0.14 0.04 0.00 0.00 177.00 176.31 2jsn s VAL 84 N 6.03 0.00 -0.04 -0.36 -7.23 -0.60 -5.01 120.40 113.18 2jsn s VAL 84 Ca 0.59 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 2jsn s VAL 84 Cb -0.13 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2jsn s VAL 84 CO 0.29 0.00 0.04 -0.44 -0.31 0.00 0.00 175.10 174.67 2jsn s SER 85 N -3.09 5.42 0.02 4.85 0.01 -1.26 -0.47 113.70 119.18 2jsn s SER 85 Ca 0.28 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2jsn s SER 85 Cb 0.02 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 2jsn s SER 85 CO 0.12 0.32 -0.03 -0.63 0.41 0.00 0.00 173.24 173.42 2jsn s ILE 86 N -1.05 0.16 -0.05 1.44 1.01 -0.31 -0.49 121.20 121.91 2jsn s ILE 86 Ca 0.18 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.12 2jsn s ILE 86 Cb -0.12 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2jsn s ILE 86 CO 0.08 -0.39 -0.24 -0.13 0.00 0.00 0.00 174.94 174.26 2jsn s ARG 87 N -1.22 2.37 0.30 2.79 0.52 0.17 -1.64 118.95 122.25 2jsn s ARG 87 Ca -0.12 -0.88 0.10 0.00 -0.52 0.00 0.00 55.73 54.31 2jsn s ARG 87 Cb -0.08 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.26 2jsn s ARG 87 CO -0.01 0.41 -0.14 -0.06 0.02 0.00 0.00 175.30 175.52 2jsn s PHE 88 N -0.25 2.24 0.03 -0.53 0.40 -1.25 -0.34 117.98 118.28 2jsn s PHE 88 Ca -0.00 -0.46 -0.14 0.00 -0.60 0.00 0.00 56.93 55.72 2jsn s PHE 88 Cb -0.13 -1.14 0.05 0.00 0.51 0.00 0.00 43.02 42.32 2jsn s PHE 88 CO 0.02 0.58 0.66 0.41 0.70 0.00 0.00 175.22 177.60 2jsn n GLY 89 N -0.66 0.59 3.76 4.36 0.00 -0.22 -0.55 105.19 112.48 2jsn n GLY 89 Ca -0.05 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.02 3.73 0.04 1.61 1.81 -0.10 -0.87 118.95 123.16 2jsn s ARG 90 Ca 0.15 2.19 -0.01 0.00 -1.72 0.00 0.00 55.73 56.35 2jsn s ARG 90 Cb -0.01 -2.60 0.01 0.00 -0.45 0.00 0.00 34.95 31.90 2jsn s ARG 90 CO 0.01 -0.70 0.02 -2.30 -0.68 0.00 0.00 175.30 171.65 2jsn n PRO 91 N -0.23 -1.13 -0.32 3.54 -0.02 -1.26 -4.70 135.00 130.89 2jsn n PRO 91 Ca 0.06 -0.04 0.14 0.00 -2.02 0.00 0.00 63.50 61.64 2jsn n PRO 91 Cb 0.44 -0.06 0.37 0.00 -0.02 0.00 0.00 33.50 34.23 2jsn n PRO 91 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2jsn h ARG 92 N 0.00 0.66 -5.77 -0.52 2.43 -1.95 -3.35 114.38 105.89 2jsn h ARG 92 Ca -0.01 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 58.53 2jsn h ARG 92 Cb 0.04 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.36 2jsn h ARG 92 CO 0.01 0.44 -0.20 -0.51 -1.51 0.00 0.00 179.97 178.19 2jsn s LEU 93 N -9.99 4.33 0.42 3.80 2.01 -1.26 -5.00 118.68 112.99 2jsn s LEU 93 Ca -0.10 0.79 0.21 0.00 0.01 0.00 0.00 54.13 55.04 2jsn s LEU 93 Cb 0.24 -2.59 0.87 0.00 0.01 0.00 0.00 46.19 44.71 2jsn s LEU 93 CO 0.80 0.12 1.82 0.74 1.01 0.00 0.00 176.35 180.83 2jsn h THR 94 N 4.40 0.75 -3.47 5.49 2.02 -1.91 -3.43 112.91 116.77 2jsn h THR 94 Ca -0.44 -1.24 -0.53 0.00 0.77 0.00 0.00 66.41 64.97 2jsn h THR 94 Cb 1.19 1.78 0.06 0.00 -1.74 0.00 0.00 68.15 69.44 2jsn h THR 94 CO 0.71 0.28 0.76 -0.94 0.37 0.00 0.00 175.52 176.71 2jsn s SER 95 N -6.35 6.61 0.00 4.18 1.04 -1.26 -4.81 113.70 113.12 2jsn s SER 95 Ca -0.00 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.16 2jsn s SER 95 Cb 0.11 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2jsn s SER 95 CO 0.66 -0.72 0.00 -3.20 0.98 0.00 0.00 173.24 170.96