#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 0.37 0.31 3.03 0.00 -1.26 -5.01 105.19 102.63 2jsn n GLY 2 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.13 2jsn n GLY 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jsn h HIS 3 N 1.15 0.00 -0.59 1.61 -0.00 -1.91 -0.21 115.15 115.20 2jsn h HIS 3 Ca -0.37 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 59.90 2jsn h HIS 3 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.62 2jsn h HIS 3 CO -0.02 0.00 -0.03 0.45 -0.00 0.00 0.00 177.93 178.33 2jsn h HIS 4 N 0.00 1.17 -0.11 2.45 3.86 -1.96 -2.75 115.15 117.81 2jsn h HIS 4 Ca -0.00 -0.21 -0.18 0.00 -1.16 0.00 0.00 60.37 58.82 2jsn h HIS 4 Cb 0.02 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 2jsn h HIS 4 CO 0.00 1.04 -0.68 1.25 0.86 0.00 0.00 177.93 180.41 2jsn h HIS 5 N 0.96 0.59 -2.20 2.45 -0.00 -1.62 -3.50 115.15 111.82 2jsn h HIS 5 Ca 0.16 -0.24 0.25 0.00 -0.00 0.00 0.00 60.37 60.54 2jsn h HIS 5 Cb 0.60 -0.10 -0.09 0.00 -0.00 0.00 0.00 27.41 27.82 2jsn h HIS 5 CO 0.04 0.99 -0.55 1.58 -0.00 0.00 0.00 177.93 180.00 2jsn n HIS 6 N -3.88 -2.46 -0.82 5.26 -0.00 -0.22 -4.99 115.22 108.11 2jsn n HIS 6 Ca -0.04 1.28 -0.15 0.00 0.46 0.00 0.00 57.72 59.27 2jsn n HIS 6 Cb 0.67 -2.23 0.12 0.00 -0.12 0.00 0.00 29.99 28.43 2jsn n HIS 6 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jsn n HIS 7 N -3.58 -3.48 -0.10 1.57 -0.00 -1.26 -4.92 115.22 103.45 2jsn n HIS 7 Ca -0.02 -0.50 0.10 0.00 -0.00 0.00 0.00 57.72 57.29 2jsn n HIS 7 Cb 0.44 -0.57 0.45 0.00 -0.00 0.00 0.00 29.99 30.32 2jsn n HIS 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jsn h HIS 8 N -2.07 0.53 -2.80 4.41 -0.00 -1.98 -3.40 115.15 109.84 2jsn h HIS 8 Ca -0.21 0.01 -0.53 0.00 -0.00 0.00 0.00 60.37 59.65 2jsn h HIS 8 Cb 0.63 -0.17 0.03 0.00 -0.00 0.00 0.00 27.41 27.89 2jsn h HIS 8 CO 0.00 0.27 0.90 -0.51 -0.00 0.00 0.00 177.93 178.59 2jsn s LEU 9 N -9.46 4.36 0.51 0.26 1.43 -1.26 -4.91 118.68 109.61 2jsn s LEU 9 Ca -0.08 2.49 0.16 0.00 -1.03 0.00 0.00 54.13 55.67 2jsn s LEU 9 Cb 0.19 -3.58 1.24 0.00 0.03 0.00 0.00 46.19 44.07 2jsn s LEU 9 CO 0.75 -0.82 2.12 -0.78 0.23 0.00 0.00 176.35 177.85 2jsn h ASP 10 N 7.48 0.00 -5.41 2.29 3.58 -1.97 -3.43 116.42 118.94 2jsn h ASP 10 Ca -0.42 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 56.88 2jsn h ASP 10 Cb 1.20 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 42.13 2jsn h ASP 10 CO 0.91 0.04 -0.35 -0.44 -2.88 0.00 0.00 179.24 176.52 2jsn s SER 11 N -7.00 0.06 0.83 2.28 0.01 -1.26 -4.95 113.70 103.67 2jsn s SER 11 Ca -0.05 -1.16 -0.12 0.00 1.31 0.00 0.00 55.95 55.94 2jsn s SER 11 Cb 0.17 0.49 0.10 0.00 0.21 0.00 0.00 66.02 66.99 2jsn s SER 11 CO 0.67 -1.01 1.15 -0.72 0.41 0.00 0.00 173.24 173.75 2jsn s TYR 12 N -4.06 1.93 -0.20 2.43 -0.85 -1.26 -5.03 117.35 110.31 2jsn s TYR 12 Ca 0.30 1.70 -0.14 0.00 -0.52 0.00 0.00 57.07 58.41 2jsn s TYR 12 Cb 0.03 -3.32 0.06 0.00 0.38 0.00 0.00 41.96 39.11 2jsn s TYR 12 CO 0.11 -2.55 0.51 0.00 -1.52 0.00 0.00 175.55 172.10 2jsn s ALA 13 N -2.51 -1.32 0.46 9.51 0.00 -1.12 -4.98 121.76 121.80 2jsn s ALA 13 Ca 0.68 1.68 0.23 0.00 0.00 0.00 0.00 51.96 54.55 2jsn s ALA 13 Cb -0.23 -0.99 1.26 0.00 0.00 0.00 0.00 23.12 23.15 2jsn s ALA 13 CO 0.54 -0.28 1.68 -1.35 0.00 0.00 0.00 175.76 176.35 2jsn h PRO 14 N 6.31 0.00 0.00 0.00 0.11 -1.92 0.86 132.00 137.36 2jsn h PRO 14 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2jsn h PRO 14 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jsn h PRO 14 CO 0.22 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.99 2jsn h ARG 15 N 0.00 0.00 0.00 1.05 2.47 -2.03 -3.39 114.38 112.49 2jsn h ARG 15 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jsn h ARG 15 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2jsn h ARG 15 CO 0.00 0.02 -0.01 0.00 0.56 0.00 0.00 179.97 180.54 2jsn n ALA 16 N -2.21 1.79 -2.65 0.04 0.00 0.12 -4.85 120.51 112.75 2jsn n ALA 16 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 2jsn n ALA 16 Cb 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 2jsn n ALA 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jsn s GLU 17 N -1.01 0.79 0.18 0.00 2.02 -0.18 -2.30 118.70 118.22 2jsn s GLU 17 Ca 0.00 -0.85 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 2jsn s GLU 17 Cb 0.00 0.32 -0.01 0.00 0.10 0.00 0.00 34.13 34.55 2jsn s GLU 17 CO 0.00 -0.24 0.32 0.00 0.02 0.00 0.00 175.26 175.36 2jsn s ALA 18 N -3.44 -0.01 -0.18 5.21 0.00 -0.33 -2.55 121.76 120.46 2jsn s ALA 18 Ca 0.02 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 2jsn s ALA 18 Cb 0.03 0.93 0.06 0.00 0.00 0.00 0.00 23.12 24.14 2jsn s ALA 18 CO -0.09 -0.69 0.45 -2.00 0.00 0.00 0.00 175.76 173.43 2jsn s GLU 19 N -3.98 0.45 0.25 0.00 2.12 -1.26 -0.63 118.70 115.65 2jsn s GLU 19 Ca 0.19 0.81 -0.11 0.00 0.36 0.00 0.00 54.97 56.22 2jsn s GLU 19 Cb 0.03 0.04 -0.01 0.00 0.26 0.00 0.00 34.13 34.45 2jsn s GLU 19 CO 0.02 -0.14 0.45 0.15 -0.54 0.00 0.00 175.26 175.20 2jsn s LYS 20 N 1.23 1.56 0.01 4.30 -0.14 -0.47 -5.02 119.74 121.21 2jsn s LYS 20 Ca -0.08 -1.34 0.01 0.00 -1.36 0.00 0.00 55.97 53.21 2jsn s LYS 20 Cb -0.07 0.45 -0.01 0.00 -1.68 0.00 0.00 37.83 36.52 2jsn s LYS 20 CO -0.11 -0.64 -0.04 0.99 -0.76 0.00 0.00 175.35 174.78 2jsn s THR 21 N -3.91 0.33 0.29 2.17 2.01 -1.26 -0.70 115.64 114.56 2jsn s THR 21 Ca 0.25 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2jsn s THR 21 Cb -0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 2jsn s THR 21 CO 0.10 -0.05 0.30 -0.36 -0.69 0.00 0.00 174.62 173.92 2jsn s PHE 22 N -0.43 1.30 0.30 4.92 0.08 0.18 -4.99 117.98 119.34 2jsn s PHE 22 Ca -0.02 -1.41 -0.09 0.00 0.12 0.00 0.00 56.93 55.53 2jsn s PHE 22 Cb -0.04 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 41.97 2jsn s PHE 22 CO -0.00 -0.87 0.50 -1.12 -0.10 0.00 0.00 175.22 173.62 2jsn s SER 23 N -3.25 0.32 0.13 1.36 0.01 -1.26 -1.55 113.70 109.46 2jsn s SER 23 Ca 0.36 -1.19 0.04 0.00 1.31 0.00 0.00 55.95 56.48 2jsn s SER 23 Cb 0.03 0.64 -0.04 0.00 0.21 0.00 0.00 66.02 66.85 2jsn s SER 23 CO 0.20 -1.25 -0.09 -0.31 0.41 0.00 0.00 173.24 172.20 2jsn s TYR 24 N -3.47 1.15 0.72 2.43 2.02 -1.26 -4.41 117.35 114.53 2jsn s TYR 24 Ca 0.25 -0.79 -0.14 0.00 -0.37 0.00 0.00 57.07 56.03 2jsn s TYR 24 Cb -0.01 -0.61 0.03 0.00 -0.40 0.00 0.00 41.96 40.98 2jsn s TYR 24 CO 0.14 0.02 1.14 -1.25 -1.57 0.00 0.00 175.55 174.02 2jsn s PRO 25 N -3.69 2.34 0.04 -1.71 0.04 -1.26 -5.00 135.00 125.76 2jsn s PRO 25 Ca 0.14 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.45 2jsn s PRO 25 Cb 0.03 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.73 2jsn s PRO 25 CO -0.01 -1.62 0.51 -1.17 0.04 0.00 0.00 177.00 174.75 2jsn s LEU 26 N -5.28 -0.03 -0.93 -3.56 2.96 -1.26 -5.06 118.68 105.53 2jsn s LEU 26 Ca 0.68 0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 54.70 2jsn s LEU 26 Cb -0.23 2.08 -0.14 0.00 0.50 0.00 0.00 46.19 48.41 2jsn s LEU 26 CO 0.46 -0.70 2.92 -0.67 -1.32 0.00 0.00 176.35 177.04 2jsn n ASP 27 N 0.47 6.63 -3.80 3.68 2.03 -1.26 -4.78 116.55 119.52 2jsn n ASP 27 Ca -0.18 -2.45 -0.13 0.00 0.52 0.00 0.00 54.79 52.54 2jsn n ASP 27 Cb 0.60 -1.37 -0.14 0.00 -0.72 0.00 0.00 41.12 39.49 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 0.10 1.27 -0.05 -2.67 2.96 -1.26 -4.27 118.68 114.75 2jsn s LEU 28 Ca 0.61 0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 2jsn s LEU 28 Cb 0.20 0.33 0.02 0.00 0.50 0.00 0.00 46.19 47.24 2jsn s LEU 28 CO -0.03 -0.08 0.20 -0.22 -1.32 0.00 0.00 176.35 174.89 2jsn s LEU 29 N 0.50 1.27 0.12 -0.68 2.96 -0.33 -4.98 118.68 117.54 2jsn s LEU 29 Ca -0.04 0.22 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 2jsn s LEU 29 Cb -0.05 0.76 -0.04 0.00 0.50 0.00 0.00 46.19 47.36 2jsn s LEU 29 CO -0.02 -0.19 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.91 2jsn s LEU 30 N -0.43 2.40 0.02 -0.68 1.02 -1.26 -0.22 118.68 119.53 2jsn s LEU 30 Ca -0.05 -0.80 -0.04 0.00 0.02 0.00 0.00 54.13 53.25 2jsn s LEU 30 Cb -0.04 -0.58 -0.01 0.00 0.02 0.00 0.00 46.19 45.58 2jsn s LEU 30 CO 0.01 -0.13 0.07 -1.59 0.02 0.00 0.00 176.35 174.74 2jsn s LYS 31 N -2.61 0.50 0.07 1.70 0.00 -0.16 -4.76 119.74 114.49 2jsn s LYS 31 Ca 0.09 -0.65 -0.31 0.00 0.00 0.00 0.00 55.97 55.10 2jsn s LYS 31 Cb -0.05 0.19 -0.06 0.00 0.00 0.00 0.00 37.83 37.91 2jsn s LYS 31 CO 0.03 -0.11 1.30 -1.17 0.00 0.00 0.00 175.35 175.40 2jsn s LEU 32 N -1.82 4.36 -0.20 2.77 2.96 -1.26 -1.01 118.68 124.48 2jsn s LEU 32 Ca -0.10 2.14 -0.14 0.00 -0.22 0.00 0.00 54.13 55.81 2jsn s LEU 32 Cb -0.04 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.13 2jsn s LEU 32 CO -0.02 -0.57 0.51 -2.28 -1.32 0.00 0.00 176.35 172.66 2jsn s HIS 33 N 1.28 -0.68 -1.49 5.38 5.65 -0.01 -4.95 115.29 120.47 2jsn s HIS 33 Ca 0.61 1.49 -0.06 0.00 0.25 0.00 0.00 55.06 57.36 2jsn s HIS 33 Cb -0.32 0.31 0.05 0.00 -1.18 0.00 0.00 32.58 31.43 2jsn s HIS 33 CO 0.29 -0.35 0.58 -3.47 -0.65 0.00 0.00 174.74 171.14 2jsn n ASP 34 N 3.64 -1.55 -0.90 9.88 2.03 -1.26 -1.08 116.55 127.30 2jsn n ASP 34 Ca -0.18 -0.97 -0.10 0.00 0.52 0.00 0.00 54.79 54.05 2jsn n ASP 34 Cb 0.56 -3.12 -0.04 0.00 -0.72 0.00 0.00 41.12 37.80 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 -4.42 -1.61 -4.41 -0.67 -0.58 -1.26 -4.95 120.64 102.73 2jsn n GLU 35 Ca -0.18 0.75 -0.29 0.00 -0.42 0.00 0.00 57.16 57.02 2jsn n GLU 35 Cb 0.62 -4.96 -0.07 0.00 -0.57 0.00 0.00 31.44 26.46 2jsn n GLU 35 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jsn s ARG 36 N -2.68 2.17 -0.09 3.49 3.00 -0.24 -2.75 118.95 121.85 2jsn s ARG 36 Ca 0.00 -2.13 0.03 0.00 0.00 0.00 0.00 55.73 53.63 2jsn s ARG 36 Cb 0.00 -1.77 -0.01 0.00 0.00 0.00 0.00 34.95 33.17 2jsn s ARG 36 CO 0.00 -0.28 -0.18 0.08 0.00 0.00 0.00 175.30 174.91 2jsn s VAL 37 N -2.75 2.62 0.17 3.52 1.01 -1.20 -0.83 120.40 122.94 2jsn s VAL 37 Ca 0.26 -0.84 0.11 0.00 0.00 0.00 0.00 61.98 61.50 2jsn s VAL 37 Cb 0.03 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2jsn s VAL 37 CO 0.14 0.56 -0.24 -0.76 0.00 0.00 0.00 175.10 174.80 2jsn s LEU 38 N -0.05 2.40 0.04 3.92 1.43 -0.18 -1.61 118.68 124.64 2jsn s LEU 38 Ca -0.05 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 2jsn s LEU 38 Cb -0.14 -1.11 -0.08 0.00 0.03 0.00 0.00 46.19 44.88 2jsn s LEU 38 CO 0.04 0.11 1.80 -0.69 0.23 0.00 0.00 176.35 177.84 2jsn s VAL 39 N -1.57 3.04 -0.16 -1.59 1.01 -0.17 -0.98 120.40 119.97 2jsn s VAL 39 Ca 0.18 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2jsn s VAL 39 Cb -0.08 -3.18 -0.23 0.00 0.00 0.00 0.00 36.38 32.89 2jsn s VAL 39 CO 0.08 -0.01 0.18 0.00 0.00 0.00 0.00 175.10 175.35 2jsn n ALA 40 N 6.58 1.25 -3.32 5.51 0.00 0.69 -1.19 120.51 130.03 2jsn n ALA 40 Ca 0.18 -0.89 -0.15 0.00 0.00 0.00 0.00 53.44 52.58 2jsn n ALA 40 Cb 0.41 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.54 -0.37 0.00 0.00 5.36 -0.74 -4.92 117.98 114.76 2jsn s PHE 41 Ca -0.22 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.31 2jsn s PHE 41 Cb 0.07 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.99 2jsn s PHE 41 CO 0.73 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 174.39 2jsn n GLY 42 N 0.95 -0.08 3.69 13.12 0.00 -1.26 -1.19 105.19 120.42 2jsn n GLY 42 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 2jsn n GLY 42 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jsn s GLN 43 N 0.00 1.37 -1.64 1.61 -2.07 -1.24 -0.63 119.66 117.05 2jsn s GLN 43 Ca 0.00 1.69 0.00 0.00 -1.82 0.00 0.00 55.36 55.23 2jsn s GLN 43 Cb 0.00 -1.75 0.00 0.00 -1.09 0.00 0.00 33.01 30.17 2jsn s GLN 43 CO 0.00 -2.40 0.00 0.54 -1.32 0.00 0.00 175.29 172.11 2jsn n ARG 44 N -3.68 -1.68 0.00 9.60 1.74 -1.26 -4.59 116.66 116.80 2jsn n ARG 44 Ca 0.13 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 2jsn n ARG 44 Cb 0.51 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 2jsn n ARG 44 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jsn n ASP 45 N -1.50 0.00 0.00 0.55 2.03 -1.14 -5.15 116.55 111.34 2jsn n ASP 45 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 2jsn n ASP 45 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 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 -0.42 5.04 3.69 0.27 0.00 0.20 -5.14 105.19 108.83 2jsn n GLY 46 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 2jsn n GLY 46 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jsn n ILE 47 N 0.00 2.06 -1.97 -0.61 2.08 -1.26 -4.37 119.36 115.28 2jsn n ILE 47 Ca 0.00 -0.50 -0.35 0.00 0.56 0.00 0.00 62.75 62.46 2jsn n ILE 47 Cb 0.00 -1.52 0.03 0.00 -0.75 0.00 0.00 39.64 37.41 2jsn n ILE 47 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2jsn s ARG 48 N -1.88 2.97 0.61 0.38 3.52 -1.26 -3.72 118.95 119.56 2jsn s ARG 48 Ca 0.56 1.64 -0.18 0.00 -0.13 0.00 0.00 55.73 57.62 2jsn s ARG 48 Cb -0.57 -1.95 -0.06 0.00 -1.56 0.00 0.00 34.95 30.80 2jsn s ARG 48 CO 0.62 -1.16 0.71 1.33 -0.81 0.00 0.00 175.30 175.99 2jsn n VAL 49 N -1.82 2.85 0.00 7.11 0.24 -1.26 -3.31 118.33 122.14 2jsn n VAL 49 Ca 0.12 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 2jsn n VAL 49 Cb 0.51 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.99 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 1.55 2.13 3.76 7.63 0.00 -0.34 -4.93 105.19 115.00 2jsn n GLY 50 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.53 3.17 0.17 1.61 3.76 -1.21 -4.57 115.29 115.69 2jsn s HIS 51 Ca 0.00 1.44 -0.19 0.00 -0.15 0.00 0.00 55.06 56.16 2jsn s HIS 51 Cb 0.00 -3.60 -0.08 0.00 1.11 0.00 0.00 32.58 30.02 2jsn s HIS 51 CO 0.00 -1.63 0.66 0.00 -0.85 0.00 0.00 174.74 172.92 2jsn s ALA 52 N -0.97 3.49 0.16 -1.40 0.00 -0.02 -1.00 121.76 122.02 2jsn s ALA 52 Ca 0.49 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 2jsn s ALA 52 Cb -0.38 -2.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 2jsn s ALA 52 CO 0.49 0.37 1.09 0.54 0.00 0.00 0.00 175.76 178.24 2jsn s VAL 53 N -1.40 3.95 -0.04 0.00 0.11 -0.63 -1.05 120.40 121.34 2jsn s VAL 53 Ca 0.38 1.66 0.04 0.00 -2.93 0.00 0.00 61.98 61.14 2jsn s VAL 53 Cb -0.17 -4.06 -0.06 0.00 -1.53 0.00 0.00 36.38 30.56 2jsn s VAL 53 CO 0.21 0.27 0.02 0.18 -3.33 0.00 0.00 175.10 172.45 2jsn n LEU 54 N 2.50 0.00 -3.72 2.54 4.32 0.61 -4.73 117.00 118.51 2jsn n LEU 54 Ca 0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.92 2jsn n LEU 54 Cb 0.47 0.10 -0.05 0.00 -1.62 0.00 0.00 43.42 42.31 2jsn n LEU 54 CO 0.54 0.10 0.08 0.00 -1.22 0.00 0.00 177.39 176.88 2jsn s ALA 55 N -2.12 -0.68 -0.01 -1.18 0.00 -0.59 -1.43 121.76 115.74 2jsn s ALA 55 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2jsn s ALA 55 Cb 0.01 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.78 2jsn s ALA 55 CO 0.18 -0.60 -0.00 0.42 0.00 0.00 0.00 175.76 175.76 2jsn s ILE 56 N -3.83 0.10 -1.24 0.00 1.01 0.03 -0.69 121.20 116.58 2jsn s ILE 56 Ca 0.04 0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 2jsn s ILE 56 Cb 0.03 -0.16 0.11 0.00 0.01 0.00 0.00 42.46 42.45 2jsn s ILE 56 CO -0.11 0.08 0.45 0.59 0.00 0.00 0.00 174.94 175.95 2jsn n ASN 57 N 3.64 -2.64 0.00 3.58 3.02 0.38 -0.71 115.26 122.54 2jsn n ASN 57 Ca -0.21 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 2jsn n ASN 57 Cb 0.54 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.48 2jsn n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jsn n GLY 58 N -1.03 2.61 3.64 7.41 0.00 -1.26 -5.02 105.19 111.53 2jsn n GLY 58 Ca 0.03 0.00 -0.41 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 -0.49 4.17 0.24 1.61 -1.94 0.11 -4.78 119.30 118.22 2jsn s MET 59 Ca 0.00 0.66 -0.31 0.00 -1.71 0.00 0.00 55.69 54.33 2jsn s MET 59 Cb 0.00 -3.62 -0.14 0.00 2.01 0.00 0.00 34.83 33.08 2jsn s MET 59 CO 0.00 -0.36 1.27 -3.47 -0.01 0.00 0.00 175.02 172.45 2jsn n ASP 60 N 5.48 2.15 -4.71 3.03 2.03 -1.26 -0.79 116.55 122.48 2jsn n ASP 60 Ca 0.00 1.15 -0.38 0.00 0.52 0.00 0.00 54.79 56.09 2jsn n ASP 60 Cb 0.49 -1.36 -0.06 0.00 -0.72 0.00 0.00 41.12 39.47 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 -0.35 5.21 -1.17 5.18 -7.23 -0.52 -2.75 120.40 118.79 2jsn s VAL 61 Ca 0.67 0.82 -0.20 0.00 -1.81 0.00 0.00 61.98 61.46 2jsn s VAL 61 Cb -0.70 -3.76 -0.05 0.00 0.56 0.00 0.00 36.38 32.43 2jsn s VAL 61 CO 0.53 0.32 1.91 -3.20 -0.31 0.00 0.00 175.10 174.35 2jsn n ASN 62 N 3.85 3.56 0.00 4.85 5.15 0.12 -4.76 115.26 128.03 2jsn n ASN 62 Ca -0.08 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.13 2jsn n ASN 62 Cb 0.51 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.15 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 5.25 1.18 0.03 8.20 0.00 -1.26 -1.44 105.19 117.14 2jsn n GLY 63 Ca 0.48 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.92 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 1.56 -4.34 1.61 1.85 -1.11 -3.27 116.66 112.97 2jsn n ARG 64 Ca 0.00 -1.14 -0.25 0.00 -1.00 0.00 0.00 57.85 55.46 2jsn n ARG 64 Cb 0.00 -0.81 -0.12 0.00 -1.05 0.00 0.00 32.46 30.48 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 -0.67 1.96 1.09 2.89 1.51 -0.52 -0.74 117.35 122.87 2jsn s TYR 65 Ca 0.02 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.50 2jsn s TYR 65 Cb 0.02 -1.03 0.23 0.00 -0.11 0.00 0.00 41.96 41.07 2jsn s TYR 65 CO 0.00 0.31 1.13 0.95 -1.11 0.00 0.00 175.55 176.83 2jsn s THR 66 N -1.48 1.80 0.31 -0.71 -4.23 0.40 0.15 115.64 111.88 2jsn s THR 66 Ca 0.12 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.64 2jsn s THR 66 Cb -0.08 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.45 2jsn s THR 66 CO 0.06 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.06 2jsn h ALA 67 N -2.16 1.52 -0.21 3.99 0.00 -1.81 -2.52 119.26 118.06 2jsn h ALA 67 Ca -0.48 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 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 0.45 0.36 -0.57 0.22 0.00 0.00 0.00 179.25 179.71 2jsn h ASP 68 N 1.02 0.75 0.00 0.00 3.58 -1.92 -3.48 116.42 116.37 2jsn h ASP 68 Ca 0.37 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2jsn h ASP 68 Cb 0.17 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jsn h ASP 68 CO -0.13 1.16 0.00 0.61 -2.88 0.00 0.00 179.24 178.00 2jsn n GLY 69 N 0.33 0.99 3.76 -0.78 0.00 -0.95 -5.12 105.19 103.42 2jsn n GLY 69 Ca -0.04 0.00 -0.41 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 4.21 0.15 1.61 -0.14 -1.26 -4.62 119.74 119.69 2jsn s LYS 70 Ca 0.00 2.42 -0.31 0.00 -1.36 0.00 0.00 55.97 56.72 2jsn s LYS 70 Cb 0.00 -3.04 -0.09 0.00 -1.68 0.00 0.00 37.83 33.03 2jsn s LYS 70 CO 0.00 -0.44 1.39 -2.00 -0.76 0.00 0.00 175.35 173.54 2jsn s GLU 71 N -1.28 4.32 0.25 1.68 2.12 -1.26 -0.45 118.70 124.07 2jsn s GLU 71 Ca 0.55 2.12 -0.04 0.00 0.36 0.00 0.00 54.97 57.96 2jsn s GLU 71 Cb -0.44 -3.21 0.38 0.00 0.26 0.00 0.00 34.13 31.12 2jsn s GLU 71 CO 0.53 -0.40 1.85 0.28 -0.54 0.00 0.00 175.26 176.97 2jsn h VAL 72 N 4.03 1.01 -0.51 3.70 2.07 -1.26 -0.06 116.25 125.23 2jsn h VAL 72 Ca -0.43 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 66.68 2jsn h VAL 72 Cb 1.21 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2jsn h VAL 72 CO 0.84 0.18 0.00 -0.07 0.02 0.00 0.00 177.57 178.54 2jsn h LEU 73 N 0.97 0.82 -0.19 2.57 3.38 -1.91 -0.57 115.31 120.39 2jsn h LEU 73 Ca 0.40 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2jsn h LEU 73 Cb 0.24 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jsn h LEU 73 CO -0.20 0.89 -0.17 -0.08 0.09 0.00 0.00 178.44 178.97 2jsn h GLU 74 N 0.79 0.45 -0.47 1.13 4.81 -1.73 -0.22 114.58 119.34 2jsn h GLU 74 Ca 0.15 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2jsn h GLU 74 Cb 0.48 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2jsn h GLU 74 CO 0.02 0.80 0.31 -0.92 -0.73 0.00 0.00 179.01 178.49 2jsn h TYR 75 N 0.11 0.60 0.01 0.92 3.20 -0.69 0.38 116.97 121.50 2jsn h TYR 75 Ca 0.03 0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.69 2jsn h TYR 75 Cb 0.71 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 2jsn h TYR 75 CO 0.08 0.39 -1.12 -0.07 -1.64 0.00 0.00 178.16 175.80 2jsn h LEU 76 N 0.64 0.02 -0.57 2.82 3.38 -1.19 -3.31 115.31 117.10 2jsn h LEU 76 Ca 0.17 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 2jsn h LEU 76 Cb -0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2jsn h LEU 76 CO -0.04 1.02 -0.57 1.23 0.09 0.00 0.00 178.44 180.17 2jsn h GLY 77 N 3.00 0.48 -5.73 0.83 0.00 -0.72 -3.44 103.07 97.50 2jsn h GLY 77 Ca -0.06 -0.57 -0.54 0.00 0.00 0.00 0.00 47.33 46.16 2jsn h GLY 77 CO 0.13 0.51 1.29 0.21 0.00 0.00 0.00 176.54 178.67 2jsn s ASN 78 N -6.91 6.22 0.33 0.19 2.47 0.10 -4.90 114.94 112.44 2jsn s ASN 78 Ca -0.06 2.48 0.09 0.00 0.42 0.00 0.00 52.86 55.79 2jsn s ASN 78 Cb 0.12 -2.53 0.59 0.00 -1.45 0.00 0.00 41.25 37.98 2jsn s ASN 78 CO 0.82 -1.27 1.78 1.55 -3.72 0.00 0.00 177.10 176.26 2jsn h PRO 79 N 11.62 0.16 0.00 0.43 0.13 -1.90 -3.29 132.00 139.15 2jsn h PRO 79 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2jsn h PRO 79 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jsn h PRO 79 CO 0.95 0.50 0.00 0.00 -0.23 0.00 0.00 178.00 179.21 2jsn n ALA 80 N -2.47 1.47 -2.54 -0.56 0.00 -1.26 -2.18 120.51 112.97 2jsn n ALA 80 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2jsn n ALA 80 Cb 0.42 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.84 2jsn n ALA 80 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jsn n ASN 81 N -1.18 2.93 -0.36 0.00 6.94 -1.24 -5.00 115.26 117.34 2jsn n ASN 81 Ca 0.02 -2.96 -0.03 0.00 -0.02 0.00 0.00 54.58 51.59 2jsn n ASN 81 Cb 0.02 -0.46 0.01 0.00 -2.36 0.00 0.00 39.78 36.99 2jsn n ASN 81 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 2jsn h TYR 82 N 2.63 -1.21 -2.72 -2.53 0.05 -1.68 -3.40 116.97 108.12 2jsn h TYR 82 Ca 0.08 0.11 -0.56 0.00 0.05 0.00 0.00 58.73 58.40 2jsn h TYR 82 Cb 1.22 0.66 -0.02 0.00 1.01 0.00 0.00 36.73 39.60 2jsn h TYR 82 CO 0.64 -0.40 1.07 -1.25 -1.05 0.00 0.00 178.16 177.18 2jsn s PRO 83 N -5.88 4.03 -0.02 4.88 0.04 -1.26 -4.10 135.00 132.70 2jsn s PRO 83 Ca -0.14 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2jsn s PRO 83 Cb 0.18 -3.97 0.03 0.00 0.04 0.00 0.00 34.50 30.78 2jsn s PRO 83 CO 0.69 -1.00 0.02 0.14 0.04 0.00 0.00 177.00 176.89 2jsn s VAL 84 N 4.42 -0.00 -0.11 -0.36 -7.23 -0.60 -5.02 120.40 111.51 2jsn s VAL 84 Ca 0.70 0.17 -0.09 0.00 -1.81 0.00 0.00 61.98 60.95 2jsn s VAL 84 Cb -0.28 -0.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2jsn s VAL 84 CO 0.27 0.09 0.19 -0.44 -0.31 0.00 0.00 175.10 174.90 2jsn s SER 85 N 0.94 6.45 0.01 4.85 0.01 -1.26 -0.64 113.70 124.05 2jsn s SER 85 Ca -0.08 0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.75 2jsn s SER 85 Cb -0.12 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2jsn s SER 85 CO -0.02 0.37 -0.11 -0.63 0.41 0.00 0.00 173.24 173.26 2jsn s ILE 86 N -0.90 0.84 -0.02 1.44 -1.09 0.12 -0.47 121.20 121.12 2jsn s ILE 86 Ca 0.16 -0.64 0.08 0.00 -2.23 0.00 0.00 60.65 58.02 2jsn s ILE 86 Cb -0.13 -0.74 -0.02 0.00 -1.58 0.00 0.00 42.46 39.99 2jsn s ILE 86 CO 0.05 0.10 -0.26 -0.13 -1.23 0.00 0.00 174.94 173.48 2jsn s ARG 87 N -0.60 2.14 0.33 2.79 0.52 0.13 -1.37 118.95 122.89 2jsn s ARG 87 Ca 0.02 -0.92 0.04 0.00 -0.52 0.00 0.00 55.73 54.34 2jsn s ARG 87 Cb -0.05 -2.06 -0.06 0.00 0.52 0.00 0.00 34.95 33.30 2jsn s ARG 87 CO 0.00 0.56 0.06 -0.06 0.02 0.00 0.00 175.30 175.88 2jsn s PHE 88 N -0.60 1.94 0.16 -0.53 0.40 0.20 -0.29 117.98 119.26 2jsn s PHE 88 Ca 0.10 -0.98 -0.19 0.00 -0.60 0.00 0.00 56.93 55.25 2jsn s PHE 88 Cb -0.10 -1.27 0.07 0.00 0.51 0.00 0.00 43.02 42.23 2jsn s PHE 88 CO -0.01 -0.02 0.92 0.41 0.70 0.00 0.00 175.22 177.23 2jsn n GLY 89 N -0.69 0.66 3.76 4.36 0.00 -0.22 -1.18 105.19 111.88 2jsn n GLY 89 Ca -0.02 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.04 3.19 0.53 1.61 1.81 -0.97 -0.84 118.95 122.24 2jsn s ARG 90 Ca 0.21 1.79 0.35 0.00 -1.72 0.00 0.00 55.73 56.35 2jsn s ARG 90 Cb -0.02 -2.03 1.56 0.00 -0.45 0.00 0.00 34.95 34.01 2jsn s ARG 90 CO 0.05 -1.02 2.03 -1.00 -0.68 0.00 0.00 175.30 174.67 2jsn h PRO 91 N 1.15 0.00 -4.28 3.54 0.13 -1.91 -3.42 132.00 127.21 2jsn h PRO 91 Ca -0.50 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.41 2jsn h PRO 91 Cb 1.28 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 2jsn h PRO 91 CO 0.56 0.00 -0.71 1.03 -0.23 0.00 0.00 178.00 178.65 2jsn s ARG 92 N -3.73 0.45 0.09 0.86 1.81 -1.26 -5.05 118.95 112.12 2jsn s ARG 92 Ca -0.00 -0.74 0.05 0.00 -1.72 0.00 0.00 55.73 53.32 2jsn s ARG 92 Cb 0.10 -0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.49 2jsn s ARG 92 CO 0.48 -0.01 -0.14 -0.51 -0.68 0.00 0.00 175.30 174.44 2jsn s LEU 93 N -1.67 2.33 0.09 2.53 2.01 -1.24 -5.11 118.68 117.63 2jsn s LEU 93 Ca -0.11 -0.70 -0.31 0.00 0.01 0.00 0.00 54.13 53.02 2jsn s LEU 93 Cb -0.08 -0.53 -0.10 0.00 0.01 0.00 0.00 46.19 45.49 2jsn s LEU 93 CO -0.01 -0.11 1.86 0.42 1.01 0.00 0.00 176.35 179.52 2jsn s THR 94 N -1.66 2.75 -1.12 5.49 -4.23 -1.26 -2.80 115.64 112.81 2jsn s THR 94 Ca 0.03 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 2jsn s THR 94 Cb -0.08 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2jsn s THR 94 CO 0.02 -0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.90 2jsn n SER 95 N 6.29 -3.94 0.00 3.99 7.64 -1.26 -5.30 113.62 121.04 2jsn n SER 95 Ca 0.18 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.26 2jsn n SER 95 Cb 0.39 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.22 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83