#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsn s GLY 2 N 0.00 -0.25 -0.01 3.03 0.00 -1.26 -5.07 107.32 103.76 2jsn s GLY 2 Ca 0.00 0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.06 2jsn s GLY 2 CO 0.00 3.46 0.80 1.42 0.00 0.00 0.00 173.10 178.78 2jsn n HIS 3 N -0.74 0.00 -3.71 1.90 -0.00 -1.26 -5.08 115.22 106.33 2jsn n HIS 3 Ca -0.01 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.72 57.45 2jsn n HIS 3 Cb 0.60 -0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.50 2jsn n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jsn s HIS 4 N -0.40 -0.08 0.08 4.41 0.00 -1.26 -5.19 115.29 112.86 2jsn s HIS 4 Ca 0.03 -0.28 -0.05 0.00 -3.00 0.00 0.00 55.06 51.76 2jsn s HIS 4 Cb 0.03 0.14 -0.02 0.00 -4.00 0.00 0.00 32.58 28.73 2jsn s HIS 4 CO 0.00 -0.64 0.11 -1.01 -1.00 0.00 0.00 174.74 172.20 2jsn s HIS 5 N -3.80 0.35 -0.00 0.38 4.02 -1.26 -5.09 115.29 109.89 2jsn s HIS 5 Ca 0.03 -0.81 0.00 0.00 1.02 0.00 0.00 55.06 55.30 2jsn s HIS 5 Cb 0.03 -0.20 0.01 0.00 -1.02 0.00 0.00 32.58 31.39 2jsn s HIS 5 CO -0.12 -0.50 0.68 0.72 1.02 0.00 0.00 174.74 176.55 2jsn n HIS 6 N -0.01 0.00 -1.75 1.40 -0.00 -1.26 -5.06 115.22 108.53 2jsn n HIS 6 Ca -0.13 -0.17 -0.40 0.00 -0.00 0.00 0.00 57.72 57.02 2jsn n HIS 6 Cb 0.62 -0.02 0.02 0.00 -0.00 0.00 0.00 29.99 30.61 2jsn n HIS 6 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jsn n HIS 7 N -0.18 2.59 -3.85 4.41 -0.00 -1.26 -5.01 115.22 111.92 2jsn n HIS 7 Ca 0.00 0.45 -0.08 0.00 -0.00 0.00 0.00 57.72 58.09 2jsn n HIS 7 Cb 0.44 -2.44 -0.01 0.00 -0.00 0.00 0.00 29.99 27.98 2jsn n HIS 7 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jsn s HIS 8 N -1.20 -0.01 -0.06 -1.40 0.00 -1.26 -5.16 115.29 106.20 2jsn s HIS 8 Ca 0.61 -0.52 -0.01 0.00 -3.00 0.00 0.00 55.06 52.15 2jsn s HIS 8 Cb -0.46 0.71 0.03 0.00 -4.00 0.00 0.00 32.58 28.86 2jsn s HIS 8 CO 0.57 -1.35 -0.01 -1.17 -1.00 0.00 0.00 174.74 171.78 2jsn s LEU 9 N -2.99 0.85 -0.41 5.38 1.98 -1.26 -5.08 118.68 117.15 2jsn s LEU 9 Ca 0.14 -0.10 0.08 0.00 -2.89 0.00 0.00 54.13 51.37 2jsn s LEU 9 Cb -0.05 -0.43 0.28 0.00 0.66 0.00 0.00 46.19 46.64 2jsn s LEU 9 CO 0.09 -0.15 0.68 -0.67 -1.89 0.00 0.00 176.35 174.42 2jsn n ASP 10 N 4.76 -0.42 -4.57 3.68 2.03 -1.26 -5.13 116.55 115.64 2jsn n ASP 10 Ca -0.14 -2.96 -0.32 0.00 0.52 0.00 0.00 54.79 51.90 2jsn n ASP 10 Cb 0.50 0.01 0.15 0.00 -0.72 0.00 0.00 41.12 41.06 2jsn n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jsn n SER 11 N 1.11 -0.56 -3.65 1.67 7.64 -1.26 -5.04 113.62 113.52 2jsn n SER 11 Ca 0.19 0.40 -0.30 0.00 1.01 0.00 0.00 58.87 60.17 2jsn n SER 11 Cb 0.59 -1.37 0.25 0.00 -1.01 0.00 0.00 64.21 62.67 2jsn n SER 11 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2jsn s TYR 12 N -2.49 0.18 0.15 1.43 -0.85 -1.26 -4.29 117.35 110.23 2jsn s TYR 12 Ca 0.64 0.40 0.05 0.00 -0.52 0.00 0.00 57.07 57.65 2jsn s TYR 12 Cb -0.23 -3.49 -0.04 0.00 0.38 0.00 0.00 41.96 38.58 2jsn s TYR 12 CO 0.61 -4.05 -0.12 0.00 -1.52 0.00 0.00 175.55 170.47 2jsn s ALA 13 N -3.02 1.57 0.28 9.51 0.00 -1.26 -0.77 121.76 128.08 2jsn s ALA 13 Ca 0.72 -1.47 -0.28 0.00 0.00 0.00 0.00 51.96 50.93 2jsn s ALA 13 Cb -0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 23.12 22.89 2jsn s ALA 13 CO 0.56 -0.01 0.91 -2.30 0.00 0.00 0.00 175.76 174.92 2jsn n PRO 14 N -0.05 1.10 -0.07 0.00 -0.02 -1.26 -4.90 135.00 129.80 2jsn n PRO 14 Ca -0.11 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.76 2jsn n PRO 14 Cb 0.60 -1.69 0.30 0.00 -0.02 0.00 0.00 33.50 32.69 2jsn n PRO 14 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2jsn h ARG 15 N 1.78 0.68 0.00 -0.52 9.65 -2.00 -3.42 114.38 120.55 2jsn h ARG 15 Ca -0.38 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 2jsn h ARG 15 Cb 1.36 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 2jsn h ARG 15 CO 0.60 0.55 0.00 0.00 2.80 0.00 0.00 179.97 183.92 2jsn n ALA 16 N -2.46 0.85 -3.45 2.80 0.00 -1.26 -5.04 120.51 111.94 2jsn n ALA 16 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2jsn n ALA 16 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.57 2jsn n ALA 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2jsn s GLU 17 N -1.26 1.33 0.30 0.00 -1.05 -1.26 -0.64 118.70 116.12 2jsn s GLU 17 Ca 0.00 -0.54 -0.10 0.00 -0.15 0.00 0.00 54.97 54.18 2jsn s GLU 17 Cb 0.00 0.59 0.01 0.00 -0.44 0.00 0.00 34.13 34.28 2jsn s GLU 17 CO 0.00 -0.58 0.53 0.00 0.95 0.00 0.00 175.26 176.16 2jsn s ALA 18 N -3.77 -0.04 -0.05 -0.84 0.00 -0.09 -4.95 121.76 112.02 2jsn s ALA 18 Ca 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 2jsn s ALA 18 Cb -0.01 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.15 2jsn s ALA 18 CO -0.11 -0.86 0.20 -2.00 0.00 0.00 0.00 175.76 172.99 2jsn s GLU 19 N -3.48 0.35 0.28 0.00 2.12 -1.26 -1.49 118.70 115.22 2jsn s GLU 19 Ca 0.24 0.06 -0.07 0.00 0.36 0.00 0.00 54.97 55.55 2jsn s GLU 19 Cb -0.01 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.53 2jsn s GLU 19 CO 0.13 -0.07 0.43 0.15 -0.54 0.00 0.00 175.26 175.36 2jsn s LYS 20 N -0.44 1.63 0.00 4.30 -0.14 -0.31 -5.01 119.74 119.78 2jsn s LYS 20 Ca -0.05 -1.49 0.04 0.00 -1.36 0.00 0.00 55.97 53.10 2jsn s LYS 20 Cb -0.04 0.43 -0.01 0.00 -1.68 0.00 0.00 37.83 36.54 2jsn s LYS 20 CO 0.01 -0.66 -0.11 0.99 -0.76 0.00 0.00 175.35 174.81 2jsn s THR 21 N -3.67 0.88 0.19 2.17 2.01 -1.26 -0.82 115.64 115.14 2jsn s THR 21 Ca 0.28 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 2jsn s THR 21 Cb 0.01 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 2jsn s THR 21 CO 0.13 0.19 0.26 -0.36 -0.69 0.00 0.00 174.62 174.15 2jsn s PHE 22 N -0.38 0.64 0.29 4.92 0.08 -0.01 -4.99 117.98 118.52 2jsn s PHE 22 Ca 0.03 -0.97 -0.01 0.00 0.12 0.00 0.00 56.93 56.11 2jsn s PHE 22 Cb -0.05 -0.18 -0.02 0.00 -0.57 0.00 0.00 43.02 42.20 2jsn s PHE 22 CO -0.00 -0.74 0.33 -1.12 -0.10 0.00 0.00 175.22 173.59 2jsn s SER 23 N -3.04 0.76 0.14 1.36 0.01 -1.26 -1.15 113.70 110.53 2jsn s SER 23 Ca 0.25 -1.45 0.02 0.00 1.31 0.00 0.00 55.95 56.07 2jsn s SER 23 Cb 0.04 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 2jsn s SER 23 CO 0.05 -1.08 -0.04 -0.31 0.41 0.00 0.00 173.24 172.27 2jsn s TYR 24 N -3.60 1.10 0.61 2.43 2.02 -1.26 -4.38 117.35 114.26 2jsn s TYR 24 Ca 0.35 -0.95 -0.19 0.00 -0.37 0.00 0.00 57.07 55.91 2jsn s TYR 24 Cb 0.02 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 2jsn s TYR 24 CO 0.18 -0.15 1.10 -2.30 -1.57 0.00 0.00 175.55 172.82 2jsn n PRO 25 N -0.16 1.03 -3.56 -1.71 -0.02 -1.26 -4.99 135.00 124.32 2jsn n PRO 25 Ca -0.09 0.40 -0.17 0.00 -2.02 0.00 0.00 63.50 61.62 2jsn n PRO 25 Cb 0.62 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 2jsn n PRO 25 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jsn s LEU 26 N -2.88 -0.35 -1.55 2.45 2.96 -1.26 -5.06 118.68 112.99 2jsn s LEU 26 Ca 0.78 0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 55.14 2jsn s LEU 26 Cb -0.41 2.29 -0.10 0.00 0.50 0.00 0.00 46.19 48.48 2jsn s LEU 26 CO 0.45 -0.60 2.97 -0.67 -1.32 0.00 0.00 176.35 177.19 2jsn n ASP 27 N 0.91 8.57 -3.83 3.68 2.03 -1.26 -4.78 116.55 121.87 2jsn n ASP 27 Ca -0.19 -2.56 -0.13 0.00 0.52 0.00 0.00 54.79 52.42 2jsn n ASP 27 Cb 0.57 -1.54 -0.15 0.00 -0.72 0.00 0.00 41.12 39.28 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 0.16 1.59 -0.04 -2.67 2.96 -1.26 -4.87 118.68 114.56 2jsn s LEU 28 Ca 0.69 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 54.54 2jsn s LEU 28 Cb 0.18 -0.02 0.01 0.00 0.50 0.00 0.00 46.19 46.87 2jsn s LEU 28 CO -0.06 -0.06 0.20 -0.22 -1.32 0.00 0.00 176.35 174.89 2jsn s LEU 29 N 0.46 1.29 0.11 -0.68 1.98 -1.24 -5.04 118.68 115.55 2jsn s LEU 29 Ca -0.04 0.13 0.05 0.00 -2.89 0.00 0.00 54.13 51.39 2jsn s LEU 29 Cb -0.06 0.78 -0.04 0.00 0.66 0.00 0.00 46.19 47.54 2jsn s LEU 29 CO -0.01 -0.24 -0.13 -0.76 -1.89 0.00 0.00 176.35 173.32 2jsn s LEU 30 N -0.67 2.38 0.04 -0.68 1.43 -1.26 -0.66 118.68 119.26 2jsn s LEU 30 Ca -0.08 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 2jsn s LEU 30 Cb -0.04 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 2jsn s LEU 30 CO 0.01 -0.16 0.03 -1.59 0.23 0.00 0.00 176.35 174.87 2jsn s LYS 31 N -2.55 0.56 -0.13 1.70 0.00 -0.16 -4.76 119.74 114.39 2jsn s LYS 31 Ca 0.06 -0.92 -0.19 0.00 0.00 0.00 0.00 55.97 54.91 2jsn s LYS 31 Cb -0.05 0.21 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 2jsn s LYS 31 CO 0.02 -0.12 0.54 -1.17 0.00 0.00 0.00 175.35 174.62 2jsn s LEU 32 N -2.36 4.25 -0.13 2.77 2.96 -1.26 -0.82 118.68 124.09 2jsn s LEU 32 Ca -0.02 0.85 -0.24 0.00 -0.22 0.00 0.00 54.13 54.51 2jsn s LEU 32 Cb 0.01 -2.78 0.06 0.00 0.50 0.00 0.00 46.19 43.98 2jsn s LEU 32 CO -0.06 -0.08 0.59 -2.28 -1.32 0.00 0.00 176.35 173.19 2jsn s HIS 33 N 0.97 -0.59 -1.46 5.38 2.46 -0.29 -4.93 115.29 116.83 2jsn s HIS 33 Ca 0.28 1.23 -0.12 0.00 0.47 0.00 0.00 55.06 56.92 2jsn s HIS 33 Cb -0.16 0.27 0.08 0.00 -0.13 0.00 0.00 32.58 32.65 2jsn s HIS 33 CO 0.11 -0.44 0.74 -3.47 -2.47 0.00 0.00 174.74 169.22 2jsn n ASP 34 N 1.84 -4.40 -1.11 9.88 2.03 -1.26 -1.38 116.55 122.16 2jsn n ASP 34 Ca -0.17 -0.60 -0.12 0.00 0.52 0.00 0.00 54.79 54.42 2jsn n ASP 34 Cb 0.56 -3.57 -0.05 0.00 -0.72 0.00 0.00 41.12 37.34 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 -4.23 -1.51 -4.48 -0.67 1.02 -1.26 -4.97 120.64 104.55 2jsn n GLU 35 Ca 0.01 0.81 -0.24 0.00 -0.02 0.00 0.00 57.16 57.72 2jsn n GLU 35 Cb 0.54 -5.04 -0.10 0.00 -0.02 0.00 0.00 31.44 26.82 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 -2.91 1.68 -0.13 3.49 3.00 -0.48 -2.39 118.95 121.21 2jsn s ARG 36 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 55.73 53.81 2jsn s ARG 36 Cb 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 34.95 33.26 2jsn s ARG 36 CO 0.00 0.23 0.24 0.08 0.00 0.00 0.00 175.30 175.85 2jsn s VAL 37 N -2.62 5.34 0.13 3.52 1.01 -1.25 -1.14 120.40 125.39 2jsn s VAL 37 Ca 0.30 0.43 0.10 0.00 0.00 0.00 0.00 61.98 62.82 2jsn s VAL 37 Cb -0.02 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2jsn s VAL 37 CO 0.14 0.50 -0.25 -0.76 0.00 0.00 0.00 175.10 174.73 2jsn s LEU 38 N -0.24 2.33 -0.13 3.92 2.01 0.00 -0.97 118.68 125.60 2jsn s LEU 38 Ca 0.16 -0.75 -0.29 0.00 0.01 0.00 0.00 54.13 53.26 2jsn s LEU 38 Cb -0.13 -1.12 -0.04 0.00 0.01 0.00 0.00 46.19 44.91 2jsn s LEU 38 CO 0.04 0.14 1.68 -0.69 1.01 0.00 0.00 176.35 178.53 2jsn s VAL 39 N -1.16 3.58 0.06 -1.59 1.01 -0.03 -0.99 120.40 121.28 2jsn s VAL 39 Ca 0.13 0.68 0.09 0.00 0.00 0.00 0.00 61.98 62.88 2jsn s VAL 39 Cb -0.10 -3.52 -0.19 0.00 0.00 0.00 0.00 36.38 32.57 2jsn s VAL 39 CO 0.06 -0.15 1.17 0.00 0.00 0.00 0.00 175.10 176.18 2jsn h ALA 40 N 10.36 0.47 -2.44 5.51 0.00 -1.19 0.54 119.26 132.50 2jsn h ALA 40 Ca -0.37 -0.97 -0.09 0.00 0.00 0.00 0.00 54.91 53.48 2jsn h ALA 40 Cb 1.17 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 2jsn h ALA 40 CO 0.97 1.24 -0.10 0.12 0.00 0.00 0.00 179.25 181.48 2jsn s PHE 41 N -2.72 -0.61 0.00 0.00 5.36 -1.13 -4.81 117.98 114.06 2jsn s PHE 41 Ca 0.00 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 2jsn s PHE 41 Cb 0.09 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 2jsn s PHE 41 CO 0.81 -0.30 0.00 0.41 -1.46 0.00 0.00 175.22 174.68 2jsn n GLY 42 N 3.01 -0.33 0.00 13.12 0.00 -1.26 -3.73 105.19 116.01 2jsn n GLY 42 Ca -0.15 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2jsn n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jsn n GLN 43 N 0.00 1.75 -2.90 1.61 1.13 -1.23 -1.00 117.38 116.74 2jsn n GLN 43 Ca 0.00 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.71 2jsn n GLN 43 Cb 0.00 -0.85 -0.06 0.00 0.11 0.00 0.00 30.24 29.43 2jsn n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2jsn s ARG 44 N -1.65 4.35 0.00 -1.09 3.00 -1.26 -3.66 118.95 118.64 2jsn s ARG 44 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 55.73 56.83 2jsn s ARG 44 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 34.95 32.35 2jsn s ARG 44 CO 0.00 0.20 0.00 -3.47 0.00 0.00 0.00 175.30 172.03 2jsn n ASP 45 N 0.14 0.00 -3.58 0.23 2.03 -1.26 -4.75 116.55 109.36 2jsn n ASP 45 Ca 0.03 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.36 2jsn n ASP 45 Cb 0.52 -0.16 -0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2jsn n ASP 45 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2jsn s GLY 46 N -0.36 -0.44 -1.06 0.27 0.00 -1.24 -4.79 107.32 99.70 2jsn s GLY 46 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 44.72 45.75 2jsn s GLY 46 CO 0.00 0.27 2.21 0.29 0.00 0.00 0.00 173.10 175.87 2jsn n ILE 47 N -0.40 2.70 0.31 0.90 -5.35 0.05 -3.58 119.36 113.99 2jsn n ILE 47 Ca -0.07 -1.88 0.18 0.00 -0.27 0.00 0.00 62.75 60.71 2jsn n ILE 47 Cb 0.62 -2.33 0.98 0.00 -1.74 0.00 0.00 39.64 37.18 2jsn n ILE 47 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2jsn h ARG 48 N 6.51 0.00 -6.22 6.28 3.08 -1.36 -3.44 114.38 119.24 2jsn h ARG 48 Ca 0.55 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.95 2jsn h ARG 48 Cb 0.39 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.54 2jsn h ARG 48 CO 1.71 0.02 -0.19 1.55 -1.07 0.00 0.00 179.97 181.99 2jsn n VAL 49 N -3.50 1.86 0.00 2.04 3.14 -0.45 -1.90 118.33 119.53 2jsn n VAL 49 Ca -0.03 -0.47 0.00 0.00 -2.96 0.00 0.00 64.34 60.89 2jsn n VAL 49 Cb 0.12 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 2jsn n VAL 49 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jsn n GLY 50 N 1.67 2.78 3.80 7.55 0.00 0.18 -4.95 105.19 116.22 2jsn n GLY 50 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2jsn n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jsn s HIS 51 N -2.02 3.23 0.17 1.61 4.02 -0.80 -4.75 115.29 116.76 2jsn s HIS 51 Ca 0.00 1.63 -0.22 0.00 1.02 0.00 0.00 55.06 57.49 2jsn s HIS 51 Cb 0.00 -3.01 -0.08 0.00 -1.02 0.00 0.00 32.58 28.47 2jsn s HIS 51 CO 0.00 -0.46 0.72 0.00 1.02 0.00 0.00 174.74 176.02 2jsn s ALA 52 N -1.90 3.46 0.32 -1.40 0.00 0.37 -0.85 121.76 121.76 2jsn s ALA 52 Ca 0.61 0.23 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 2jsn s ALA 52 Cb -0.16 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 2jsn s ALA 52 CO 0.21 0.32 1.14 0.08 0.00 0.00 0.00 175.76 177.51 2jsn s VAL 53 N -1.30 3.34 0.00 0.00 1.01 -0.15 -0.96 120.40 122.34 2jsn s VAL 53 Ca 0.38 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2jsn s VAL 53 Cb -0.20 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2jsn s VAL 53 CO 0.23 0.24 0.00 0.18 0.00 0.00 0.00 175.10 175.75 2jsn n LEU 54 N 0.77 0.11 -3.64 3.92 4.77 0.45 -4.77 117.00 118.61 2jsn n LEU 54 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 2jsn n LEU 54 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 2jsn n LEU 54 CO 0.53 0.02 0.16 0.00 -1.33 0.00 0.00 177.39 176.77 2jsn s ALA 55 N -1.55 -0.95 -0.02 -1.18 0.00 -0.57 -0.62 121.76 116.88 2jsn s ALA 55 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 2jsn s ALA 55 Cb 0.00 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.76 2jsn s ALA 55 CO 0.00 -0.61 0.04 0.42 0.00 0.00 0.00 175.76 175.61 2jsn s ILE 56 N -3.54 -0.03 -0.95 0.00 1.01 -0.48 -0.78 121.20 116.42 2jsn s ILE 56 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2jsn s ILE 56 Cb 0.01 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.41 2jsn s ILE 56 CO -0.10 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.47 2jsn n ASN 57 N 3.60 -3.46 0.00 3.58 3.02 0.23 -0.43 115.26 121.81 2jsn n ASN 57 Ca -0.19 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2jsn n ASN 57 Cb 0.55 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.73 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 -0.69 2.28 3.59 7.41 0.00 -1.26 -5.00 105.19 111.52 2jsn n GLY 58 Ca -0.13 0.00 -0.43 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 -0.22 3.57 -0.23 1.61 -1.94 0.43 -4.98 119.30 117.54 2jsn s MET 59 Ca 0.00 0.62 -0.34 0.00 -1.71 0.00 0.00 55.69 54.26 2jsn s MET 59 Cb 0.00 -4.00 -0.11 0.00 2.01 0.00 0.00 34.83 32.73 2jsn s MET 59 CO 0.00 -1.59 2.05 -3.47 -0.01 0.00 0.00 175.02 172.01 2jsn n ASP 60 N 8.56 2.82 -4.77 3.03 2.03 -1.26 -1.39 116.55 125.57 2jsn n ASP 60 Ca 0.13 0.63 -0.39 0.00 0.52 0.00 0.00 54.79 55.68 2jsn n ASP 60 Cb 0.49 -1.34 -0.04 0.00 -0.72 0.00 0.00 41.12 39.50 2jsn n ASP 60 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2jsn s VAL 61 N 6.05 3.56 -0.20 5.18 1.01 0.21 -1.74 120.40 134.47 2jsn s VAL 61 Ca 1.01 1.41 0.01 0.00 0.00 0.00 0.00 61.98 64.41 2jsn s VAL 61 Cb -0.73 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 31.87 2jsn s VAL 61 CO 0.49 0.21 -0.08 0.21 0.00 0.00 0.00 175.10 175.93 2jsn s ASN 62 N -1.16 3.43 1.67 3.32 2.47 0.42 -4.83 114.94 120.25 2jsn s ASN 62 Ca 0.50 -0.93 0.00 0.00 0.42 0.00 0.00 52.86 52.85 2jsn s ASN 62 Cb -0.28 -1.17 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 2jsn s ASN 62 CO 0.36 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 174.17 2jsn n GLY 63 N 4.71 2.30 0.53 1.21 0.00 -1.26 -1.29 105.19 111.38 2jsn n GLY 63 Ca -0.14 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 5.11 1.80 -4.83 1.61 1.85 -1.01 -3.74 116.66 117.46 2jsn n ARG 64 Ca 0.00 -2.88 -0.25 0.00 -1.00 0.00 0.00 57.85 53.72 2jsn n ARG 64 Cb 0.00 -1.65 -0.15 0.00 -1.05 0.00 0.00 32.46 29.60 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 -3.00 1.56 1.24 2.89 2.02 -0.41 -0.60 117.35 121.03 2jsn s TYR 65 Ca 0.38 -0.29 -0.19 0.00 -0.37 0.00 0.00 57.07 56.59 2jsn s TYR 65 Cb 0.33 -1.00 0.30 0.00 -0.40 0.00 0.00 41.96 41.19 2jsn s TYR 65 CO 0.02 -0.03 1.06 0.95 -1.57 0.00 0.00 175.55 175.99 2jsn s THR 66 N -0.41 1.57 0.29 -0.71 -4.23 -0.21 -0.44 115.64 111.49 2jsn s THR 66 Ca 0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2jsn s THR 66 Cb -0.07 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.68 2jsn s THR 66 CO -0.01 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 175.96 2jsn h ALA 67 N -2.73 1.48 -0.34 3.99 0.00 -1.56 -2.17 119.26 117.94 2jsn h ALA 67 Ca -0.46 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 2jsn h ALA 67 Cb 1.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jsn h ALA 67 CO 0.36 0.36 -0.45 0.22 0.00 0.00 0.00 179.25 179.74 2jsn h ASP 68 N 1.08 0.96 0.00 0.00 3.58 -1.91 -3.48 116.42 116.64 2jsn h ASP 68 Ca 0.42 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2jsn h ASP 68 Cb 0.23 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2jsn h ASP 68 CO -0.17 1.26 0.00 0.61 -2.88 0.00 0.00 179.24 178.06 2jsn n GLY 69 N 0.21 0.30 3.74 -0.78 0.00 -0.82 -5.12 105.19 102.72 2jsn n GLY 69 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 4.14 0.04 1.61 -0.14 -1.26 -4.41 119.74 119.72 2jsn s LYS 70 Ca 0.00 2.55 -0.30 0.00 -1.36 0.00 0.00 55.97 56.86 2jsn s LYS 70 Cb 0.00 -3.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.00 2jsn s LYS 70 CO 0.00 -0.64 1.97 0.39 -0.76 0.00 0.00 175.35 176.30 2jsn n GLU 71 N 2.79 2.85 -0.23 1.68 4.71 -1.26 -1.04 120.64 130.14 2jsn n GLU 71 Ca 0.10 1.05 0.01 0.00 -0.01 0.00 0.00 57.16 58.31 2jsn n GLU 71 Cb 0.37 -3.00 0.13 0.00 -1.01 0.00 0.00 31.44 27.93 2jsn n GLU 71 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2jsn h VAL 72 N 5.56 0.83 -0.43 2.62 2.07 -1.21 0.97 116.25 126.66 2jsn h VAL 72 Ca -0.50 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 2jsn h VAL 72 Cb 1.24 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2jsn h VAL 72 CO 0.94 0.10 -0.20 -0.07 0.02 0.00 0.00 177.57 178.36 2jsn h LEU 73 N 0.54 0.85 -0.19 2.57 3.38 -1.90 -0.65 115.31 119.91 2jsn h LEU 73 Ca 0.34 -0.30 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 2jsn h LEU 73 Cb 0.37 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jsn h LEU 73 CO -0.28 1.03 -0.85 -0.33 0.09 0.00 0.00 178.44 178.11 2jsn h GLU 74 N 0.74 0.62 -0.57 1.13 5.08 -1.80 -0.55 114.58 119.22 2jsn h GLU 74 Ca 0.10 -0.56 0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2jsn h GLU 74 Cb 0.73 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 2jsn h GLU 74 CO 0.06 1.18 0.35 -0.92 -1.00 0.00 0.00 179.01 178.67 2jsn h TYR 75 N 0.40 0.65 -0.02 4.33 3.20 -0.55 -0.53 116.97 124.45 2jsn h TYR 75 Ca -0.07 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.61 2jsn h TYR 75 Cb 1.47 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 2jsn h TYR 75 CO 0.07 0.37 -0.87 -0.07 -1.64 0.00 0.00 178.16 176.03 2jsn h LEU 76 N 0.69 0.47 -1.24 2.82 3.38 -1.14 -3.27 115.31 117.01 2jsn h LEU 76 Ca 0.23 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2jsn h LEU 76 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2jsn h LEU 76 CO -0.10 1.14 -0.10 1.23 0.09 0.00 0.00 178.44 180.70 2jsn h GLY 77 N 1.36 0.43 -6.18 0.83 0.00 -0.56 -3.41 103.07 95.55 2jsn h GLY 77 Ca -0.06 -0.27 -0.56 0.00 0.00 0.00 0.00 47.33 46.44 2jsn h GLY 77 CO 0.15 0.26 1.36 0.21 0.00 0.00 0.00 176.54 178.52 2jsn s ASN 78 N -6.80 5.94 0.27 0.19 2.47 -0.25 -4.89 114.94 111.87 2jsn s ASN 78 Ca -0.07 2.26 0.24 0.00 0.42 0.00 0.00 52.86 55.72 2jsn s ASN 78 Cb 0.15 -2.52 0.99 0.00 -1.45 0.00 0.00 41.25 38.42 2jsn s ASN 78 CO 0.76 -1.52 1.73 1.55 -3.72 0.00 0.00 177.10 175.90 2jsn h PRO 79 N 12.87 0.00 0.00 0.43 0.13 -1.90 -0.61 132.00 142.92 2jsn h PRO 79 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jsn h PRO 79 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jsn h PRO 79 CO 0.95 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.72 2jsn n ALA 80 N -1.80 1.26 -2.38 -0.56 0.00 -1.26 -2.35 120.51 113.42 2jsn n ALA 80 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2jsn n ALA 80 Cb 0.25 -1.34 0.06 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 1.72 0.14 0.00 5.15 -0.26 -4.87 115.26 114.88 2jsn n ASN 81 Ca -0.00 -2.53 -0.14 0.00 -0.60 0.00 0.00 54.58 51.31 2jsn n ASN 81 Cb 0.10 -0.39 -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 1.58 -0.32 -2.91 1.20 -1.99 -1.21 -3.43 116.97 109.90 2jsn h TYR 82 Ca -0.10 -0.01 -0.55 0.00 2.00 0.00 0.00 58.73 60.08 2jsn h TYR 82 Cb 1.53 0.11 -0.01 0.00 2.00 0.00 0.00 36.73 40.35 2jsn h TYR 82 CO 0.45 -0.04 0.85 -1.25 -0.00 0.00 0.00 178.16 178.16 2jsn s PRO 83 N -5.19 4.28 0.17 4.88 0.04 -1.26 -4.27 135.00 133.65 2jsn s PRO 83 Ca -0.15 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 2jsn s PRO 83 Cb 0.03 -3.65 0.01 0.00 0.04 0.00 0.00 34.50 30.93 2jsn s PRO 83 CO 0.60 -0.60 0.38 0.14 0.04 0.00 0.00 177.00 177.56 2jsn s VAL 84 N 2.72 0.06 -0.02 -0.36 -7.23 -0.30 -5.00 120.40 110.27 2jsn s VAL 84 Ca 0.62 -1.10 0.07 0.00 -1.81 0.00 0.00 61.98 59.76 2jsn s VAL 84 Cb -0.29 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2jsn s VAL 84 CO 0.24 -0.25 -0.23 -0.44 -0.31 0.00 0.00 175.10 174.11 2jsn s SER 85 N -2.92 3.31 -0.01 4.85 0.01 -1.26 -0.83 113.70 116.86 2jsn s SER 85 Ca 0.13 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.98 2jsn s SER 85 Cb 0.02 -0.46 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 2jsn s SER 85 CO -0.02 0.32 -0.04 -0.63 0.41 0.00 0.00 173.24 173.27 2jsn s ILE 86 N -0.67 0.35 -0.07 1.44 1.01 0.00 -0.60 121.20 122.66 2jsn s ILE 86 Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2jsn s ILE 86 Cb -0.10 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 2jsn s ILE 86 CO -0.00 0.10 -0.17 -0.60 0.00 0.00 0.00 174.94 174.28 2jsn s ARG 87 N -0.05 2.77 0.14 2.79 3.52 0.04 -1.16 118.95 127.01 2jsn s ARG 87 Ca 0.01 -0.74 -0.08 0.00 -0.13 0.00 0.00 55.73 54.78 2jsn s ARG 87 Cb -0.02 -2.40 -0.01 0.00 -1.56 0.00 0.00 34.95 30.96 2jsn s ARG 87 CO -0.00 0.45 0.25 -0.59 -0.81 0.00 0.00 175.30 174.59 2jsn s PHE 88 N -0.28 0.38 -0.44 5.12 -0.12 -0.56 -0.41 117.98 121.68 2jsn s PHE 88 Ca 0.01 -0.76 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 2jsn s PHE 88 Cb -0.13 -0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 2jsn s PHE 88 CO 0.03 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 174.94 2jsn n GLY 89 N -0.17 -1.18 3.74 1.99 0.00 -0.14 -0.91 105.19 108.51 2jsn n GLY 89 Ca -0.09 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 2jsn n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsn n ARG 90 N 0.00 1.98 -0.85 1.61 5.12 0.19 -0.47 116.66 124.23 2jsn n ARG 90 Ca 0.00 0.71 -0.34 0.00 -1.93 0.00 0.00 57.85 56.29 2jsn n ARG 90 Cb 0.00 -2.54 0.10 0.00 -1.16 0.00 0.00 32.46 28.86 2jsn n ARG 90 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2jsn n PRO 91 N -0.37 -0.26 -4.05 5.56 -0.02 -1.26 -4.76 135.00 129.84 2jsn n PRO 91 Ca 0.07 -0.05 -0.10 0.00 -2.02 0.00 0.00 63.50 61.40 2jsn n PRO 91 Cb 0.42 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 2jsn n PRO 91 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2jsn s ARG 92 N -3.11 1.45 0.59 -0.52 6.06 -1.26 -5.08 118.95 117.09 2jsn s ARG 92 Ca 0.51 -1.34 -0.18 0.00 -2.50 0.00 0.00 55.73 52.22 2jsn s ARG 92 Cb -0.19 0.42 -0.03 0.00 0.06 0.00 0.00 34.95 35.20 2jsn s ARG 92 CO 0.72 -0.58 1.15 -0.51 -2.50 0.00 0.00 175.30 173.58 2jsn s LEU 93 N -3.05 3.61 0.05 -0.88 1.43 -1.26 -5.07 118.68 113.51 2jsn s LEU 93 Ca 0.26 2.19 -0.01 0.00 -1.03 0.00 0.00 54.13 55.55 2jsn s LEU 93 Cb 0.01 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 2jsn s LEU 93 CO 0.10 -1.46 -0.03 0.42 0.23 0.00 0.00 176.35 175.60 2jsn s THR 94 N -1.89 0.23 0.30 5.49 -4.23 -1.26 -5.04 115.64 109.24 2jsn s THR 94 Ca 0.72 -1.61 0.18 0.00 -1.18 0.00 0.00 61.69 59.81 2jsn s THR 94 Cb -0.25 -1.24 0.15 0.00 1.34 0.00 0.00 72.50 72.50 2jsn s THR 94 CO 0.33 -0.87 1.84 0.28 -0.54 0.00 0.00 174.62 175.65 2jsn h SER 95 N 3.49 0.00 0.00 3.99 0.02 -1.96 -3.49 113.55 115.61 2jsn h SER 95 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2jsn h SER 95 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2jsn h SER 95 CO 0.60 0.33 0.00 -3.20 -1.14 0.00 0.00 176.83 173.42