#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 0.45 1.35 3.03 0.00 -1.26 -5.03 105.19 103.72 2jsn n GLY 2 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2jsn n GLY 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2jsn n HIS 3 N -0.07 0.00 0.12 1.61 -0.00 -1.26 -4.27 115.22 111.34 2jsn n HIS 3 Ca 0.00 -0.58 0.07 0.00 -0.00 0.00 0.00 57.72 57.21 2jsn n HIS 3 Cb 0.00 -0.34 0.54 0.00 -0.00 0.00 0.00 29.99 30.19 2jsn n HIS 3 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2jsn h HIS 4 N 1.20 0.26 -3.91 1.57 2.07 -1.96 -3.42 115.15 110.96 2jsn h HIS 4 Ca 0.00 0.01 -0.23 0.00 -2.85 0.00 0.00 60.37 57.29 2jsn h HIS 4 Cb 0.75 -0.09 -0.24 0.00 2.57 0.00 0.00 27.41 30.40 2jsn h HIS 4 CO 0.16 0.16 -0.72 -1.01 -3.07 0.00 0.00 177.93 173.45 2jsn s HIS 5 N -5.28 0.34 0.34 6.12 3.76 -1.26 -5.06 115.29 114.25 2jsn s HIS 5 Ca -0.07 -0.33 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 2jsn s HIS 5 Cb 0.17 -0.22 0.62 0.00 1.11 0.00 0.00 32.58 34.27 2jsn s HIS 5 CO 0.70 -0.09 1.89 0.45 -0.85 0.00 0.00 174.74 176.84 2jsn h HIS 6 N 5.16 0.53 -0.25 1.40 -0.00 -1.82 -3.14 115.15 117.03 2jsn h HIS 6 Ca -0.31 -0.05 -0.22 0.00 -0.00 0.00 0.00 60.37 59.80 2jsn h HIS 6 Cb 1.21 -0.16 -0.08 0.00 -0.00 0.00 0.00 27.41 28.38 2jsn h HIS 6 CO 0.56 0.52 -0.07 0.72 -0.00 0.00 0.00 177.93 179.66 2jsn n HIS 7 N -4.29 0.46 0.07 2.45 8.25 -1.26 -3.24 115.22 117.66 2jsn n HIS 7 Ca 0.01 -1.51 0.00 0.00 -0.26 0.00 0.00 57.72 55.96 2jsn n HIS 7 Cb 0.24 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 30.12 2jsn n HIS 7 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jsn n HIS 8 N 1.73 -2.47 -3.75 4.41 -0.00 -1.19 -5.12 115.22 108.83 2jsn n HIS 8 Ca 0.32 0.41 -0.13 0.00 -0.00 0.00 0.00 57.72 58.33 2jsn n HIS 8 Cb 0.72 1.30 -0.10 0.00 -0.00 0.00 0.00 29.99 31.91 2jsn n HIS 8 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2jsn s LEU 9 N -5.63 0.72 0.00 0.27 2.96 -1.20 -4.99 118.68 110.81 2jsn s LEU 9 Ca 0.00 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2jsn s LEU 9 Cb 0.00 1.25 0.00 0.00 0.50 0.00 0.00 46.19 47.94 2jsn s LEU 9 CO 0.00 -0.26 0.00 -0.67 -1.32 0.00 0.00 176.35 174.10 2jsn n ASP 10 N 2.21 1.28 -3.80 3.68 2.03 -1.26 -4.15 116.55 116.54 2jsn n ASP 10 Ca -0.17 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.09 2jsn n ASP 10 Cb 0.57 0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 41.04 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 -2.22 -0.22 -0.12 1.67 0.01 -1.26 -5.09 113.70 106.47 2jsn s SER 11 Ca 0.00 -0.50 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 2jsn s SER 11 Cb 0.00 0.61 0.03 0.00 0.21 0.00 0.00 66.02 66.87 2jsn s SER 11 CO 0.00 -1.12 0.17 0.00 0.41 0.00 0.00 173.24 172.70 2jsn n TYR 12 N -0.46 -3.70 -3.85 2.43 9.36 -1.26 -5.12 117.16 114.56 2jsn n TYR 12 Ca -0.05 2.17 -0.11 0.00 3.32 0.00 0.00 57.90 63.22 2jsn n TYR 12 Cb 0.60 -3.48 -0.10 0.00 -0.63 0.00 0.00 39.34 35.73 2jsn n TYR 12 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2jsn s ALA 13 N -0.53 -0.38 0.40 2.98 0.00 -1.26 -5.13 121.76 117.84 2jsn s ALA 13 Ca -0.20 -0.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 2jsn s ALA 13 Cb 0.01 0.05 -0.12 0.00 0.00 0.00 0.00 23.12 23.07 2jsn s ALA 13 CO 0.53 -0.20 0.86 -2.30 0.00 0.00 0.00 175.76 174.66 2jsn n PRO 14 N 1.65 1.07 -2.71 0.00 -0.02 -1.26 -4.97 135.00 128.77 2jsn n PRO 14 Ca -0.21 0.39 -0.05 0.00 -2.02 0.00 0.00 63.50 61.60 2jsn n PRO 14 Cb 0.56 -1.83 0.07 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.35 1.32 0.16 -0.52 1.85 -1.26 -4.94 116.66 113.61 2jsn n ARG 15 Ca 0.10 -2.58 0.12 0.00 -1.00 0.00 0.00 57.85 54.49 2jsn n ARG 15 Cb 0.38 -0.72 0.58 0.00 -1.05 0.00 0.00 32.46 31.65 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jsn h ALA 16 N 2.32 1.00 -2.51 2.89 0.00 -1.97 -3.43 119.26 117.56 2jsn h ALA 16 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2jsn h ALA 16 Cb 1.25 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 2jsn h ALA 16 CO 0.17 0.00 -0.42 -1.83 0.00 0.00 0.00 179.25 177.16 2jsn s GLU 17 N -3.49 0.75 0.25 0.00 -1.05 -1.26 -1.08 118.70 112.82 2jsn s GLU 17 Ca -0.00 -0.87 -0.14 0.00 -0.15 0.00 0.00 54.97 53.81 2jsn s GLU 17 Cb 0.08 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 34.07 2jsn s GLU 17 CO 0.28 -0.22 0.51 0.00 0.95 0.00 0.00 175.26 176.79 2jsn s ALA 18 N -3.36 -0.39 -0.08 -0.84 0.00 -0.06 -4.97 121.76 112.05 2jsn s ALA 18 Ca 0.01 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2jsn s ALA 18 Cb 0.03 1.03 0.03 0.00 0.00 0.00 0.00 23.12 24.21 2jsn s ALA 18 CO -0.08 -0.88 0.20 -2.00 0.00 0.00 0.00 175.76 172.99 2jsn s GLU 19 N -4.00 0.20 0.02 0.00 2.12 -1.26 -1.26 118.70 114.51 2jsn s GLU 19 Ca 0.21 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.78 2jsn s GLU 19 Cb -0.01 -0.00 0.01 0.00 0.26 0.00 0.00 34.13 34.39 2jsn s GLU 19 CO 0.09 -0.09 0.23 0.15 -0.54 0.00 0.00 175.26 175.10 2jsn s LYS 20 N 0.58 0.68 0.23 4.30 1.02 -0.47 -5.00 119.74 121.09 2jsn s LYS 20 Ca -0.04 -0.47 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 2jsn s LYS 20 Cb -0.05 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.46 2jsn s LYS 20 CO -0.03 -0.19 0.80 0.95 -0.92 0.00 0.00 175.35 175.96 2jsn s THR 21 N -2.11 4.40 0.28 2.17 -4.23 -1.26 -1.10 115.64 113.79 2jsn s THR 21 Ca -0.08 1.57 0.01 0.00 -1.18 0.00 0.00 61.69 62.01 2jsn s THR 21 Cb -0.03 -4.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 2jsn s THR 21 CO -0.01 0.29 0.28 -0.36 -0.54 0.00 0.00 174.62 174.29 2jsn s PHE 22 N -1.42 1.28 0.32 3.99 0.08 -0.19 -4.97 117.98 117.06 2jsn s PHE 22 Ca 0.43 -1.40 -0.08 0.00 0.12 0.00 0.00 56.93 55.99 2jsn s PHE 22 Cb -0.19 -0.45 0.01 0.00 -0.57 0.00 0.00 43.02 41.81 2jsn s PHE 22 CO 0.24 -0.85 0.52 -1.12 -0.10 0.00 0.00 175.22 173.91 2jsn s SER 23 N -3.24 0.41 0.14 1.36 0.01 -1.26 -1.49 113.70 109.63 2jsn s SER 23 Ca 0.36 -1.24 0.03 0.00 1.31 0.00 0.00 55.95 56.42 2jsn s SER 23 Cb 0.03 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 2jsn s SER 23 CO 0.19 -1.31 -0.08 -0.31 0.41 0.00 0.00 173.24 172.15 2jsn s TYR 24 N -3.27 1.15 0.29 2.43 2.02 -1.26 -4.35 117.35 114.36 2jsn s TYR 24 Ca 0.25 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 2jsn s TYR 24 Cb -0.01 -0.61 0.45 0.00 -0.40 0.00 0.00 41.96 41.38 2jsn s TYR 24 CO 0.15 -0.03 1.82 -1.00 -1.57 0.00 0.00 175.55 174.93 2jsn h PRO 25 N 2.82 0.72 -4.62 -1.71 0.13 -1.99 -3.50 132.00 123.85 2jsn h PRO 25 Ca -0.36 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 64.46 2jsn h PRO 25 Cb 1.18 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2jsn h PRO 25 CO 0.64 0.70 -0.19 -0.11 -0.23 0.00 0.00 178.00 178.80 2jsn n LEU 26 N -4.26 -0.60 -4.02 1.56 -0.00 -1.26 -1.61 117.00 106.81 2jsn n LEU 26 Ca 0.03 0.26 -0.39 0.00 -0.00 0.00 0.00 56.01 55.91 2jsn n LEU 26 Cb 0.25 -1.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.12 2jsn n LEU 26 CO 0.40 -0.04 -0.20 -0.67 -0.00 0.00 0.00 177.39 176.88 2jsn n ASP 27 N -1.71 -3.15 -3.82 1.96 2.03 -1.26 -5.00 116.55 105.60 2jsn n ASP 27 Ca -0.06 -1.21 -0.12 0.00 0.52 0.00 0.00 54.79 53.92 2jsn n ASP 27 Cb 0.55 -2.17 -0.12 0.00 -0.72 0.00 0.00 41.12 38.66 2jsn n ASP 27 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jsn s LEU 28 N -7.19 1.43 -0.08 -2.67 2.96 -0.63 -4.30 118.68 108.19 2jsn s LEU 28 Ca 0.36 0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 54.45 2jsn s LEU 28 Cb -0.18 0.54 0.02 0.00 0.50 0.00 0.00 46.19 47.07 2jsn s LEU 28 CO 0.95 -0.08 0.24 -0.22 -1.32 0.00 0.00 176.35 175.92 2jsn s LEU 29 N -0.02 1.08 0.15 -0.68 2.96 -0.51 -4.95 118.68 116.72 2jsn s LEU 29 Ca -0.01 0.39 0.08 0.00 -0.22 0.00 0.00 54.13 54.36 2jsn s LEU 29 Cb -0.02 0.88 -0.04 0.00 0.50 0.00 0.00 46.19 47.51 2jsn s LEU 29 CO 0.00 -0.15 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.95 2jsn s LEU 30 N -0.17 2.43 0.03 -0.68 1.02 -1.26 -0.46 118.68 119.59 2jsn s LEU 30 Ca -0.03 -0.85 -0.08 0.00 0.02 0.00 0.00 54.13 53.19 2jsn s LEU 30 Cb -0.03 -0.73 -0.00 0.00 0.02 0.00 0.00 46.19 45.45 2jsn s LEU 30 CO 0.01 -0.08 0.15 -1.59 0.02 0.00 0.00 176.35 174.87 2jsn s LYS 31 N -2.80 0.61 0.02 1.70 0.00 -0.32 -4.83 119.74 114.12 2jsn s LYS 31 Ca 0.14 -0.59 -0.30 0.00 0.00 0.00 0.00 55.97 55.21 2jsn s LYS 31 Cb -0.05 0.25 -0.05 0.00 0.00 0.00 0.00 37.83 37.98 2jsn s LYS 31 CO 0.05 -0.16 1.25 -1.17 0.00 0.00 0.00 175.35 175.32 2jsn s LEU 32 N -1.90 4.33 -0.16 2.77 2.96 -1.26 -0.74 118.68 124.69 2jsn s LEU 32 Ca -0.08 1.99 -0.26 0.00 -0.22 0.00 0.00 54.13 55.57 2jsn s LEU 32 Cb -0.03 -3.57 0.06 0.00 0.50 0.00 0.00 46.19 43.16 2jsn s LEU 32 CO -0.02 -0.56 0.65 -2.28 -1.32 0.00 0.00 176.35 172.81 2jsn s HIS 33 N 1.66 -0.67 -1.58 5.38 2.46 -0.50 -4.94 115.29 117.10 2jsn s HIS 33 Ca 0.59 1.44 -0.15 0.00 0.47 0.00 0.00 55.06 57.41 2jsn s HIS 33 Cb -0.29 0.30 0.11 0.00 -0.13 0.00 0.00 32.58 32.57 2jsn s HIS 33 CO 0.27 -0.45 0.92 -3.47 -2.47 0.00 0.00 174.74 169.53 2jsn n ASP 34 N 1.95 -4.42 -0.82 9.88 2.03 -1.26 -1.26 116.55 122.64 2jsn n ASP 34 Ca -0.16 -0.83 -0.09 0.00 0.52 0.00 0.00 54.79 54.23 2jsn n ASP 34 Cb 0.56 -3.55 -0.04 0.00 -0.72 0.00 0.00 41.12 37.37 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 -4.57 -1.64 -3.08 -0.67 -0.58 -1.26 -4.94 120.64 103.89 2jsn n GLU 35 Ca 0.05 0.71 -0.14 0.00 -0.42 0.00 0.00 57.16 57.36 2jsn n GLU 35 Cb 0.51 -4.90 -0.03 0.00 -0.57 0.00 0.00 31.44 26.46 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 -0.81 1.42 -4.92 3.49 1.74 -0.39 -1.43 116.66 115.76 2jsn n ARG 36 Ca -0.09 -1.60 -0.27 0.00 -0.77 0.00 0.00 57.85 55.11 2jsn n ARG 36 Cb 0.47 0.40 -0.15 0.00 -1.02 0.00 0.00 32.46 32.16 2jsn n ARG 36 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jsn s VAL 37 N -1.72 1.76 0.06 1.55 -7.23 -1.26 -1.40 120.40 112.15 2jsn s VAL 37 Ca 0.02 -1.07 0.09 0.00 -1.81 0.00 0.00 61.98 59.20 2jsn s VAL 37 Cb -0.00 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2jsn s VAL 37 CO 0.01 0.38 -0.23 -0.76 -0.31 0.00 0.00 175.10 174.20 2jsn s LEU 38 N -0.81 2.39 0.10 1.32 1.43 0.08 -1.24 118.68 121.95 2jsn s LEU 38 Ca 0.09 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 2jsn s LEU 38 Cb -0.09 -1.39 -0.09 0.00 0.03 0.00 0.00 46.19 44.66 2jsn s LEU 38 CO 0.00 0.24 1.62 -0.69 0.23 0.00 0.00 176.35 177.76 2jsn s VAL 39 N -0.91 2.88 -0.15 -1.59 1.01 -0.23 -1.17 120.40 120.24 2jsn s VAL 39 Ca 0.14 0.47 0.03 0.00 0.00 0.00 0.00 61.98 62.61 2jsn s VAL 39 Cb -0.10 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 2jsn s VAL 39 CO 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 175.10 175.05 2jsn n ALA 40 N 5.01 1.66 -3.33 5.51 0.00 0.39 -0.40 120.51 129.35 2jsn n ALA 40 Ca 0.15 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.74 2jsn n ALA 40 Cb 0.40 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2jsn n ALA 40 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2jsn s PHE 41 N -2.32 -0.45 -0.03 0.00 5.36 -1.01 -4.83 117.98 114.69 2jsn s PHE 41 Ca -0.19 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 2jsn s PHE 41 Cb 0.05 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 2jsn s PHE 41 CO 0.40 -0.65 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 2jsn n GLY 42 N 0.40 0.45 3.56 13.12 0.00 -1.26 -1.42 105.19 120.04 2jsn n GLY 42 Ca -0.18 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 2jsn n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsn s GLN 43 N -1.22 2.52 0.48 1.61 0.74 -1.26 -4.74 119.66 117.78 2jsn s GLN 43 Ca 0.00 1.32 0.23 0.00 0.05 0.00 0.00 55.36 56.96 2jsn s GLN 43 Cb 0.00 -4.46 1.22 0.00 1.10 0.00 0.00 33.01 30.87 2jsn s GLN 43 CO 0.00 -2.81 2.00 0.00 -0.55 0.00 0.00 175.29 173.93 2jsn h ARG 44 N 17.07 0.00 -0.10 1.67 2.47 -1.95 -2.87 114.38 130.67 2jsn h ARG 44 Ca -0.28 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.42 2jsn h ARG 44 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 2jsn h ARG 44 CO 1.13 0.18 -0.02 0.22 0.56 0.00 0.00 179.97 182.03 2jsn h ASP 45 N 0.00 0.12 0.00 7.04 3.58 -2.01 -3.47 116.42 121.68 2jsn h ASP 45 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jsn h ASP 45 Cb 0.42 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2jsn h ASP 45 CO 0.02 0.17 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 2jsn n GLY 46 N -1.28 2.16 0.29 -0.78 0.00 -1.08 -5.02 105.19 99.47 2jsn n GLY 46 Ca -0.01 -0.97 0.18 0.00 0.00 0.00 0.00 46.02 45.21 2jsn n GLY 46 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2jsn h ILE 47 N 0.83 0.13 -0.31 -0.61 -2.65 -1.92 -3.37 117.51 109.60 2jsn h ILE 47 Ca 0.00 -0.42 -0.65 0.00 1.03 0.00 0.00 64.86 64.82 2jsn h ILE 47 Cb 0.00 1.36 -0.04 0.00 -2.05 0.00 0.00 36.82 36.10 2jsn h ILE 47 CO 0.00 0.03 2.52 0.54 0.03 0.00 0.00 178.15 181.27 2jsn n ARG 48 N -3.19 2.63 -0.70 0.16 1.74 -1.26 -4.97 116.66 111.07 2jsn n ARG 48 Ca -0.01 -2.68 -0.32 0.00 -0.77 0.00 0.00 57.85 54.07 2jsn n ARG 48 Cb 0.24 -3.34 0.16 0.00 -1.02 0.00 0.00 32.46 28.50 2jsn n ARG 48 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2jsn n VAL 49 N 5.91 0.00 0.00 1.55 0.24 -1.26 -4.40 118.33 120.37 2jsn n VAL 49 Ca 0.50 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 2jsn n VAL 49 Cb 0.42 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 2jsn n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jsn n GLY 50 N 1.56 0.71 3.76 7.63 0.00 0.46 -5.02 105.19 114.29 2jsn n GLY 50 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 2.72 0.12 1.61 3.76 -1.26 -4.59 115.29 115.65 2jsn s HIS 51 Ca 0.00 0.92 -0.25 0.00 -0.15 0.00 0.00 55.06 55.59 2jsn s HIS 51 Cb 0.00 -4.03 -0.07 0.00 1.11 0.00 0.00 32.58 29.59 2jsn s HIS 51 CO 0.00 -3.32 0.76 0.00 -0.85 0.00 0.00 174.74 171.32 2jsn s ALA 52 N -0.36 3.43 0.53 -1.40 0.00 0.22 -1.07 121.76 123.11 2jsn s ALA 52 Ca 0.60 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.65 2jsn s ALA 52 Cb -0.47 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 2jsn s ALA 52 CO 0.52 0.22 1.23 0.08 0.00 0.00 0.00 175.76 177.81 2jsn s VAL 53 N -0.75 2.69 0.00 0.00 1.01 -0.37 -0.80 120.40 122.18 2jsn s VAL 53 Ca 0.36 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2jsn s VAL 53 Cb -0.22 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2jsn s VAL 53 CO 0.25 -0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.49 2jsn n LEU 54 N -0.99 1.25 -3.80 3.92 4.77 0.68 -4.80 117.00 118.04 2jsn n LEU 54 Ca 0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 2jsn n LEU 54 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2jsn n LEU 54 CO 0.48 0.21 -0.03 0.00 -1.33 0.00 0.00 177.39 176.72 2jsn s ALA 55 N -1.68 -0.42 -0.02 -1.18 0.00 -0.60 -1.49 121.76 116.37 2jsn s ALA 55 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2jsn s ALA 55 Cb 0.00 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2jsn s ALA 55 CO 0.00 -0.53 -0.04 0.42 0.00 0.00 0.00 175.76 175.61 2jsn s ILE 56 N -3.72 0.38 -0.85 0.00 1.01 -0.29 -1.03 121.20 116.72 2jsn s ILE 56 Ca 0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2jsn s ILE 56 Cb 0.04 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 42.18 2jsn s ILE 56 CO -0.11 0.14 0.21 0.59 0.00 0.00 0.00 174.94 175.77 2jsn n ASN 57 N 3.40 -2.63 0.00 3.58 3.02 0.33 -0.76 115.26 122.19 2jsn n ASN 57 Ca -0.18 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2jsn n ASN 57 Cb 0.55 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 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 -0.83 0.72 3.26 7.41 0.00 -1.26 -5.02 105.19 109.47 2jsn n GLY 58 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 3.28 0.21 1.61 -1.94 0.06 -5.10 119.30 117.03 2jsn s MET 59 Ca 0.00 -0.68 -0.32 0.00 -1.71 0.00 0.00 55.69 52.98 2jsn s MET 59 Cb 0.00 -2.87 -0.14 0.00 2.01 0.00 0.00 34.83 33.83 2jsn s MET 59 CO 0.00 -0.17 1.38 -3.47 -0.01 0.00 0.00 175.02 172.75 2jsn n ASP 60 N 4.67 2.50 -4.81 3.03 2.03 -1.26 -1.13 116.55 121.57 2jsn n ASP 60 Ca -0.19 1.13 -0.33 0.00 0.52 0.00 0.00 54.79 55.92 2jsn n ASP 60 Cb 0.51 -1.38 -0.06 0.00 -0.72 0.00 0.00 41.12 39.46 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 0.07 4.91 -1.43 5.18 -7.23 -0.56 -3.90 120.40 117.44 2jsn s VAL 61 Ca 0.71 -0.35 -0.11 0.00 -1.81 0.00 0.00 61.98 60.43 2jsn s VAL 61 Cb -0.70 -3.26 -0.06 0.00 0.56 0.00 0.00 36.38 32.92 2jsn s VAL 61 CO 0.48 0.34 2.62 -3.20 -0.31 0.00 0.00 175.10 175.04 2jsn n ASN 62 N 1.11 6.81 0.00 4.85 5.15 0.59 -4.89 115.26 128.88 2jsn n ASN 62 Ca -0.12 -2.59 0.00 0.00 -0.60 0.00 0.00 54.58 51.27 2jsn n ASN 62 Cb 0.53 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 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 3.77 1.15 0.00 8.20 0.00 -1.26 -1.46 105.19 115.59 2jsn n GLY 63 Ca 0.66 0.49 0.12 0.00 0.00 0.00 0.00 46.02 47.30 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 0.26 -4.68 1.61 1.85 -0.52 -4.44 116.66 110.75 2jsn n ARG 64 Ca 0.00 0.05 -0.29 0.00 -1.00 0.00 0.00 57.85 56.61 2jsn n ARG 64 Cb 0.00 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.77 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 -2.69 2.25 1.21 2.89 2.02 -0.54 -0.97 117.35 121.52 2jsn s TYR 65 Ca 0.21 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.32 2jsn s TYR 65 Cb 0.17 -1.30 0.29 0.00 -0.40 0.00 0.00 41.96 40.72 2jsn s TYR 65 CO 0.41 0.20 1.10 0.95 -1.57 0.00 0.00 175.55 176.63 2jsn s THR 66 N -0.91 1.60 0.30 -0.71 -4.23 0.35 -0.30 115.64 111.74 2jsn s THR 66 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2jsn s THR 66 Cb -0.10 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.56 2jsn s THR 66 CO 0.03 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.02 2jsn h ALA 67 N -2.60 1.50 -0.09 3.99 0.00 -1.90 -2.70 119.26 117.46 2jsn h ALA 67 Ca -0.46 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 2jsn h ALA 67 Cb 1.30 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2jsn h ALA 67 CO 0.35 0.37 -0.83 0.22 0.00 0.00 0.00 179.25 179.36 2jsn h ASP 68 N 1.05 0.78 0.00 0.00 3.58 -1.93 -3.49 116.42 116.41 2jsn h ASP 68 Ca 0.39 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2jsn h ASP 68 Cb 0.19 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2jsn h ASP 68 CO -0.15 1.33 0.00 0.61 -2.88 0.00 0.00 179.24 178.15 2jsn n GLY 69 N 0.75 0.84 3.77 -0.78 0.00 -1.02 -5.13 105.19 103.63 2jsn n GLY 69 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 4.06 0.02 1.61 -0.14 -1.26 -4.58 119.74 119.45 2jsn s LYS 70 Ca 0.00 2.47 -0.30 0.00 -1.36 0.00 0.00 55.97 56.77 2jsn s LYS 70 Cb 0.00 -2.92 -0.07 0.00 -1.68 0.00 0.00 37.83 33.17 2jsn s LYS 70 CO 0.00 -0.53 1.51 -2.00 -0.76 0.00 0.00 175.35 173.57 2jsn s GLU 71 N -2.12 4.24 0.44 1.68 2.12 -1.26 -0.50 118.70 123.30 2jsn s GLU 71 Ca 0.54 2.11 0.09 0.00 0.36 0.00 0.00 54.97 58.08 2jsn s GLU 71 Cb -0.44 -3.61 0.96 0.00 0.26 0.00 0.00 34.13 31.30 2jsn s GLU 71 CO 0.60 -0.65 2.07 -0.39 -0.54 0.00 0.00 175.26 176.35 2jsn h VAL 72 N 4.91 1.08 -0.75 3.70 -1.51 -1.38 -0.20 116.25 122.10 2jsn h VAL 72 Ca -0.40 -0.18 -0.06 0.00 -1.23 0.00 0.00 66.70 64.84 2jsn h VAL 72 Cb 1.19 0.68 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 2jsn h VAL 72 CO 0.92 0.08 0.24 -0.07 -1.23 0.00 0.00 177.57 177.51 2jsn h LEU 73 N 0.39 1.08 -0.26 4.19 3.38 -1.90 0.66 115.31 122.84 2jsn h LEU 73 Ca 0.10 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2jsn h LEU 73 Cb -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 2jsn h LEU 73 CO -0.02 1.00 -0.32 -0.08 0.09 0.00 0.00 178.44 179.11 2jsn h GLU 74 N 1.11 0.68 -0.57 1.13 4.81 -1.61 -0.23 114.58 119.90 2jsn h GLU 74 Ca 0.24 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 2jsn h GLU 74 Cb 0.30 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2jsn h GLU 74 CO -0.01 0.99 0.34 -0.92 -0.73 0.00 0.00 179.01 178.69 2jsn h TYR 75 N 0.41 0.64 0.02 0.92 3.20 -0.71 -0.23 116.97 121.23 2jsn h TYR 75 Ca 0.04 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.72 2jsn h TYR 75 Cb 0.89 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2jsn h TYR 75 CO 0.08 0.37 -0.95 -0.07 -1.64 0.00 0.00 178.16 175.94 2jsn h LEU 76 N 0.68 0.19 -1.26 2.82 3.38 -0.92 -3.26 115.31 116.93 2jsn h LEU 76 Ca 0.23 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2jsn h LEU 76 Cb 0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2jsn h LEU 76 CO -0.10 1.04 -0.35 1.23 0.09 0.00 0.00 178.44 180.35 2jsn h GLY 77 N 2.12 0.00 -6.25 0.83 0.00 -0.43 -3.40 103.07 95.94 2jsn h GLY 77 Ca -0.05 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.72 2jsn h GLY 77 CO 0.14 0.00 1.35 0.21 0.00 0.00 0.00 176.54 178.24 2jsn s ASN 78 N -6.69 5.94 0.16 0.19 2.47 -0.15 -4.89 114.94 111.97 2jsn s ASN 78 Ca -0.02 2.14 0.21 0.00 0.42 0.00 0.00 52.86 55.62 2jsn s ASN 78 Cb 0.13 -2.52 0.87 0.00 -1.45 0.00 0.00 41.25 38.29 2jsn s ASN 78 CO 0.70 -1.54 1.66 -0.81 -3.72 0.00 0.00 177.10 173.39 2jsn n PRO 79 N 8.17 0.13 0.15 0.43 -0.04 -1.26 -1.07 135.00 141.52 2jsn n PRO 79 Ca 0.25 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 2jsn n PRO 79 Cb 0.44 -1.74 0.55 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.68 1.27 -2.31 0.55 0.00 -1.26 -2.17 120.51 114.91 2jsn n ALA 80 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2jsn n ALA 80 Cb 0.24 -1.34 0.07 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 -2.26 1.77 0.12 0.00 5.15 -0.23 -4.87 115.26 114.95 2jsn n ASN 81 Ca -0.00 -2.66 -0.13 0.00 -0.60 0.00 0.00 54.58 51.18 2jsn n ASN 81 Cb 0.11 -0.40 -0.08 0.00 -0.53 0.00 0.00 39.78 38.88 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 1.50 -0.30 -2.93 1.20 -1.99 -1.21 -3.43 116.97 109.81 2jsn h TYR 82 Ca -0.08 -0.01 -0.54 0.00 2.00 0.00 0.00 58.73 60.10 2jsn h TYR 82 Cb 1.51 0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.34 2jsn h TYR 82 CO 0.47 0.03 0.81 -1.25 -0.00 0.00 0.00 178.16 178.22 2jsn s PRO 83 N -4.76 4.29 0.25 4.88 0.04 -1.26 -4.20 135.00 134.24 2jsn s PRO 83 Ca -0.14 1.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 2jsn s PRO 83 Cb 0.02 -3.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 2jsn s PRO 83 CO 0.58 -0.55 0.42 0.14 0.04 0.00 0.00 177.00 177.63 2jsn s VAL 84 N 2.22 0.00 -0.06 -0.36 -7.23 -0.56 -5.00 120.40 109.41 2jsn s VAL 84 Ca 0.64 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 59.32 2jsn s VAL 84 Cb -0.32 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2jsn s VAL 84 CO 0.27 0.00 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.45 2jsn s SER 85 N -3.06 2.23 -0.02 4.85 0.01 -1.26 -1.02 113.70 115.42 2jsn s SER 85 Ca 0.26 -0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.18 2jsn s SER 85 Cb 0.01 -0.78 -0.00 0.00 0.21 0.00 0.00 66.02 65.45 2jsn s SER 85 CO 0.11 0.13 -0.14 -0.63 0.41 0.00 0.00 173.24 173.12 2jsn s ILE 86 N 0.23 1.13 -0.11 1.44 -1.09 -0.26 -0.52 121.20 122.02 2jsn s ILE 86 Ca -0.09 -0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 57.75 2jsn s ILE 86 Cb -0.14 -0.96 -0.02 0.00 -1.58 0.00 0.00 42.46 39.76 2jsn s ILE 86 CO 0.04 0.33 -0.10 -0.60 -1.23 0.00 0.00 174.94 173.37 2jsn s ARG 87 N -0.08 3.19 0.17 2.79 3.52 -0.20 -1.36 118.95 126.98 2jsn s ARG 87 Ca 0.00 -0.62 -0.06 0.00 -0.13 0.00 0.00 55.73 54.92 2jsn s ARG 87 Cb -0.08 -2.65 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 2jsn s ARG 87 CO 0.01 0.37 0.21 -0.59 -0.81 0.00 0.00 175.30 174.49 2jsn s PHE 88 N -0.03 0.64 0.04 5.12 -0.12 -0.39 -0.23 117.98 123.01 2jsn s PHE 88 Ca -0.02 -0.98 -0.08 0.00 -0.05 0.00 0.00 56.93 55.80 2jsn s PHE 88 Cb -0.14 -0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.05 2jsn s PHE 88 CO 0.03 -0.68 0.36 0.41 -0.05 0.00 0.00 175.22 175.29 2jsn n GLY 89 N -0.20 0.94 3.74 1.99 0.00 0.02 -0.89 105.19 110.79 2jsn n GLY 89 Ca -0.05 -0.97 -0.42 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 -2.01 4.12 0.34 1.61 1.81 -0.24 -0.61 118.95 123.97 2jsn s ARG 90 Ca 0.08 2.59 0.25 0.00 -1.72 0.00 0.00 55.73 56.93 2jsn s ARG 90 Cb -0.01 -3.05 1.21 0.00 -0.45 0.00 0.00 34.95 32.65 2jsn s ARG 90 CO 0.01 -0.69 1.76 -1.35 -0.68 0.00 0.00 175.30 174.35 2jsn h PRO 91 N 5.81 0.00 -5.35 3.54 0.11 -1.89 -3.44 132.00 130.78 2jsn h PRO 91 Ca -0.45 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.26 2jsn h PRO 91 Cb 1.21 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 2jsn h PRO 91 CO 0.87 0.00 -0.74 0.50 -0.21 0.00 0.00 178.00 178.43 2jsn s ARG 92 N -3.51 1.12 0.11 1.05 3.52 -1.26 -5.04 118.95 114.94 2jsn s ARG 92 Ca 0.00 -1.41 -0.21 0.00 -0.13 0.00 0.00 55.73 53.99 2jsn s ARG 92 Cb 0.08 -0.88 -0.09 0.00 -1.56 0.00 0.00 34.95 32.50 2jsn s ARG 92 CO 0.32 0.15 1.75 1.25 -0.81 0.00 0.00 175.30 177.95 2jsn h LEU 93 N 3.01 0.05 -9.87 -0.88 5.85 -2.03 -3.42 115.31 108.03 2jsn h LEU 93 Ca -0.38 0.01 -0.52 0.00 0.84 0.00 0.00 57.88 57.83 2jsn h LEU 93 Cb 1.20 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.29 2jsn h LEU 93 CO 0.58 0.05 0.58 -0.89 -0.34 0.00 0.00 178.44 178.42 2jsn s THR 94 N -6.19 2.95 0.20 1.05 2.01 -1.26 -4.95 115.64 109.45 2jsn s THR 94 Ca -0.13 0.94 0.32 0.00 0.31 0.00 0.00 61.69 63.13 2jsn s THR 94 Cb 0.08 -3.59 0.35 0.00 0.01 0.00 0.00 72.50 69.34 2jsn s THR 94 CO 0.68 0.21 1.99 0.28 -0.69 0.00 0.00 174.62 177.09 2jsn h SER 95 N 3.42 0.00 0.00 3.53 0.02 -2.00 -3.47 113.55 115.05 2jsn h SER 95 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2jsn h SER 95 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2jsn h SER 95 CO 0.65 0.07 0.00 -3.20 -1.14 0.00 0.00 176.83 173.21