#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 4.07 3.11 -5.12 0.00 -1.26 -4.82 105.19 101.17 2jsn n GLY 2 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2jsn n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jsn s HIS 3 N 1.96 0.08 0.48 1.61 5.04 -1.26 -5.15 115.29 118.06 2jsn s HIS 3 Ca 0.69 -0.22 -0.24 0.00 -1.54 0.00 0.00 55.06 53.75 2jsn s HIS 3 Cb 0.20 -0.07 -0.07 0.00 0.04 0.00 0.00 32.58 32.68 2jsn s HIS 3 CO -0.05 -0.31 1.42 -1.01 -2.34 0.00 0.00 174.74 172.45 2jsn s HIS 4 N -1.70 2.37 0.11 3.88 0.09 -1.26 -5.04 115.29 113.73 2jsn s HIS 4 Ca -0.12 1.28 -0.08 0.00 -0.00 0.00 0.00 55.06 56.13 2jsn s HIS 4 Cb -0.06 -3.91 -0.00 0.00 -0.00 0.00 0.00 32.58 28.60 2jsn s HIS 4 CO 0.00 -3.02 0.20 -1.01 -0.00 0.00 0.00 174.74 170.92 2jsn s HIS 5 N -1.22 0.23 0.00 1.40 4.02 -1.26 -5.08 115.29 113.38 2jsn s HIS 5 Ca 0.65 -0.65 0.00 0.00 1.02 0.00 0.00 55.06 56.08 2jsn s HIS 5 Cb -0.43 -0.08 0.00 0.00 -1.02 0.00 0.00 32.58 31.05 2jsn s HIS 5 CO 0.54 -0.58 0.10 -2.39 1.02 0.00 0.00 174.74 173.43 2jsn n HIS 6 N -0.09 0.00 -4.01 1.40 -0.00 -1.26 -5.05 115.22 106.21 2jsn n HIS 6 Ca -0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.48 2jsn n HIS 6 Cb 0.63 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.50 2jsn n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsn s HIS 7 N -0.37 0.41 0.17 -1.40 4.02 -1.26 -5.18 115.29 111.69 2jsn s HIS 7 Ca 0.00 -0.52 -0.08 0.00 1.02 0.00 0.00 55.06 55.48 2jsn s HIS 7 Cb 0.00 -0.27 -0.01 0.00 -1.02 0.00 0.00 32.58 31.28 2jsn s HIS 7 CO 0.00 -0.15 0.27 -1.01 1.02 0.00 0.00 174.74 174.86 2jsn s HIS 8 N -1.43 0.52 0.04 1.40 0.09 -1.26 -5.18 115.29 109.47 2jsn s HIS 8 Ca -0.14 -0.87 0.01 0.00 -0.00 0.00 0.00 55.06 54.06 2jsn s HIS 8 Cb -0.10 -0.13 -0.03 0.00 -0.00 0.00 0.00 32.58 32.33 2jsn s HIS 8 CO -0.00 -0.72 -0.05 -0.51 -0.00 0.00 0.00 174.74 173.45 2jsn s LEU 9 N -3.00 2.33 0.00 0.89 1.43 -1.26 -5.05 118.68 114.02 2jsn s LEU 9 Ca 0.21 -0.68 0.16 0.00 -1.03 0.00 0.00 54.13 52.79 2jsn s LEU 9 Cb 0.04 0.01 0.96 0.00 0.03 0.00 0.00 46.19 47.22 2jsn s LEU 9 CO 0.02 -0.35 1.38 -0.67 0.23 0.00 0.00 176.35 176.97 2jsn n ASP 10 N 1.04 0.00 0.04 2.29 2.03 -1.26 -4.17 116.55 116.53 2jsn n ASP 10 Ca -0.20 -0.47 0.22 0.00 0.52 0.00 0.00 54.79 54.85 2jsn n ASP 10 Cb 0.57 -0.02 0.73 0.00 -0.72 0.00 0.00 41.12 41.68 2jsn n ASP 10 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jsn h SER 11 N 0.00 0.00 1.41 1.67 0.02 -1.94 -1.47 113.55 113.24 2jsn h SER 11 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jsn h SER 11 Cb 0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jsn h SER 11 CO 0.00 0.00 -0.07 0.10 -1.14 0.00 0.00 176.83 175.72 2jsn h TYR 12 N 0.00 0.00 -3.27 3.45 -0.00 -1.91 -3.40 116.97 111.83 2jsn h TYR 12 Ca 0.24 0.00 -0.53 0.00 0.00 0.00 0.00 58.73 58.44 2jsn h TYR 12 Cb 1.24 0.00 0.05 0.00 0.00 0.00 0.00 36.73 38.02 2jsn h TYR 12 CO 0.00 0.07 0.77 0.00 -0.00 0.00 0.00 178.16 179.00 2jsn s ALA 13 N -3.44 3.64 0.34 0.10 0.00 -0.56 -4.91 121.76 116.93 2jsn s ALA 13 Ca 0.03 1.31 0.20 0.00 0.00 0.00 0.00 51.96 53.51 2jsn s ALA 13 Cb 0.08 -3.56 1.04 0.00 0.00 0.00 0.00 23.12 20.67 2jsn s ALA 13 CO 0.62 -0.73 1.92 -1.00 0.00 0.00 0.00 175.76 176.57 2jsn h PRO 14 N 5.43 0.00 0.00 0.00 0.13 -1.90 -1.23 132.00 134.43 2jsn h PRO 14 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jsn h PRO 14 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jsn h PRO 14 CO 0.80 0.25 0.00 0.54 -0.23 0.00 0.00 178.00 179.36 2jsn n ARG 15 N -3.78 0.07 -4.51 0.86 1.74 -1.26 -4.81 116.66 104.97 2jsn n ARG 15 Ca -0.01 0.19 -0.24 0.00 -0.77 0.00 0.00 57.85 57.01 2jsn n ARG 15 Cb 0.35 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.19 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jsn s ALA 16 N -2.87 2.78 0.33 7.54 0.00 -0.47 -0.63 121.76 128.44 2jsn s ALA 16 Ca 0.10 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.50 2jsn s ALA 16 Cb 0.11 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 2jsn s ALA 16 CO 0.29 -0.28 0.15 -1.21 0.00 0.00 0.00 175.76 174.70 2jsn s GLU 17 N -3.82 1.69 0.93 0.00 0.41 -0.28 -4.75 118.70 112.88 2jsn s GLU 17 Ca 0.29 -1.98 -0.11 0.00 -0.41 0.00 0.00 54.97 52.75 2jsn s GLU 17 Cb 0.06 -0.27 0.15 0.00 -1.78 0.00 0.00 34.13 32.29 2jsn s GLU 17 CO 0.14 -0.45 1.10 0.00 -0.49 0.00 0.00 175.26 175.56 2jsn s ALA 18 N -3.47 1.30 0.36 5.21 0.00 -1.26 -4.52 121.76 119.37 2jsn s ALA 18 Ca 0.33 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 2jsn s ALA 18 Cb 0.04 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 2jsn s ALA 18 CO 0.17 -2.68 0.68 -1.83 0.00 0.00 0.00 175.76 172.11 2jsn s GLU 19 N -4.73 3.72 0.17 0.00 -1.05 -1.26 -4.17 118.70 111.38 2jsn s GLU 19 Ca 0.65 0.28 -0.04 0.00 -0.15 0.00 0.00 54.97 55.71 2jsn s GLU 19 Cb -0.21 -2.50 -0.03 0.00 -0.44 0.00 0.00 34.13 30.96 2jsn s GLU 19 CO 0.59 0.07 0.17 0.15 0.95 0.00 0.00 175.26 177.18 2jsn s LYS 20 N -3.73 1.10 -0.04 -4.83 -0.14 -0.23 -4.97 119.74 106.90 2jsn s LYS 20 Ca 0.48 -1.39 -0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2jsn s LYS 20 Cb -0.10 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.32 2jsn s LYS 20 CO 0.31 -0.37 0.01 0.99 -0.76 0.00 0.00 175.35 175.54 2jsn s THR 21 N -4.05 4.32 0.09 2.17 2.01 -1.26 -0.91 115.64 118.01 2jsn s THR 21 Ca 0.25 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.81 2jsn s THR 21 Cb 0.06 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 2jsn s THR 21 CO 0.04 0.47 0.05 -0.36 -0.69 0.00 0.00 174.62 174.13 2jsn s PHE 22 N -1.02 0.55 0.27 4.92 0.40 0.01 -4.98 117.98 118.14 2jsn s PHE 22 Ca 0.17 -1.02 -0.16 0.00 -0.60 0.00 0.00 56.93 55.32 2jsn s PHE 22 Cb -0.11 -0.34 0.01 0.00 0.51 0.00 0.00 43.02 43.08 2jsn s PHE 22 CO 0.07 -0.47 0.61 -1.12 0.70 0.00 0.00 175.22 175.02 2jsn s SER 23 N -2.95 -0.13 0.11 1.36 0.01 -1.26 -1.48 113.70 109.36 2jsn s SER 23 Ca 0.12 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 56.57 2jsn s SER 23 Cb 0.07 0.67 -0.04 0.00 0.21 0.00 0.00 66.02 66.93 2jsn s SER 23 CO -0.06 -1.28 -0.03 -0.31 0.41 0.00 0.00 173.24 171.97 2jsn s TYR 24 N -3.82 0.90 0.37 2.43 2.02 -1.26 -4.27 117.35 113.71 2jsn s TYR 24 Ca 0.17 -1.01 -0.27 0.00 -0.37 0.00 0.00 57.07 55.59 2jsn s TYR 24 Cb -0.03 -0.53 -0.09 0.00 -0.40 0.00 0.00 41.96 40.90 2jsn s TYR 24 CO 0.09 -0.26 1.26 -1.25 -1.57 0.00 0.00 175.55 173.82 2jsn s PRO 25 N -3.90 4.18 0.37 -1.71 0.04 -1.26 -4.99 135.00 127.74 2jsn s PRO 25 Ca 0.16 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2jsn s PRO 25 Cb 0.06 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2jsn s PRO 25 CO -0.03 -0.28 0.00 -0.11 0.04 0.00 0.00 177.00 176.62 2jsn n LEU 26 N 0.45 -3.32 -3.64 -3.56 7.94 -1.26 -5.13 117.00 108.49 2jsn n LEU 26 Ca 0.02 0.74 -0.10 0.00 -1.11 0.00 0.00 56.01 55.56 2jsn n LEU 26 Cb 0.44 3.19 -0.07 0.00 0.53 0.00 0.00 43.42 47.50 2jsn n LEU 26 CO 0.56 0.17 0.45 -0.62 -1.11 0.00 0.00 177.39 176.84 2jsn s ASP 27 N -2.00 -0.77 -0.04 1.96 2.15 -1.26 -5.06 116.67 111.65 2jsn s ASP 27 Ca 0.00 1.35 0.19 0.00 0.43 0.00 0.00 52.55 54.52 2jsn s ASP 27 Cb 0.00 1.35 0.34 0.00 -0.30 0.00 0.00 42.92 44.31 2jsn s ASP 27 CO 0.00 -0.22 1.14 -0.11 -0.17 0.00 0.00 175.17 175.81 2jsn n LEU 28 N 3.32 0.51 -3.64 -1.34 7.94 -1.26 -4.97 117.00 117.56 2jsn n LEU 28 Ca -0.16 -2.17 -0.41 0.00 -1.11 0.00 0.00 56.01 52.15 2jsn n LEU 28 Cb 0.57 0.06 -0.02 0.00 0.53 0.00 0.00 43.42 44.56 2jsn n LEU 28 CO 0.01 0.84 2.54 0.18 -1.11 0.00 0.00 177.39 179.84 2jsn n LEU 29 N 0.18 6.01 -4.46 -1.96 4.77 -1.26 -4.86 117.00 115.42 2jsn n LEU 29 Ca -0.03 -3.70 -0.26 0.00 -0.03 0.00 0.00 56.01 52.00 2jsn n LEU 29 Cb 1.00 -1.45 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 2jsn n LEU 29 CO -0.05 0.68 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.42 2jsn s LEU 30 N 1.64 2.56 0.05 2.23 2.01 -1.26 -0.78 118.68 125.12 2jsn s LEU 30 Ca 0.52 -0.86 0.01 0.00 0.01 0.00 0.00 54.13 53.80 2jsn s LEU 30 Cb 0.14 -1.23 -0.03 0.00 0.01 0.00 0.00 46.19 45.08 2jsn s LEU 30 CO -0.02 0.10 -0.05 -1.59 1.01 0.00 0.00 176.35 175.80 2jsn s LYS 31 N -2.91 0.53 -0.18 1.70 0.00 -0.24 -4.72 119.74 113.91 2jsn s LYS 31 Ca 0.24 -0.91 -0.27 0.00 0.00 0.00 0.00 55.97 55.02 2jsn s LYS 31 Cb -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 37.83 37.73 2jsn s LYS 31 CO 0.12 -0.03 0.94 -1.17 0.00 0.00 0.00 175.35 175.21 2jsn s LEU 32 N -2.10 4.16 -0.13 2.77 0.20 -1.26 -0.92 118.68 121.41 2jsn s LEU 32 Ca -0.04 1.31 -0.24 0.00 0.69 0.00 0.00 54.13 55.85 2jsn s LEU 32 Cb -0.03 -3.41 0.06 0.00 -0.43 0.00 0.00 46.19 42.38 2jsn s LEU 32 CO -0.03 -0.51 0.60 -2.28 -0.29 0.00 0.00 176.35 173.84 2jsn s HIS 33 N 2.51 -0.60 -1.46 5.38 2.46 -0.21 -4.94 115.29 118.43 2jsn s HIS 33 Ca 0.42 1.25 -0.10 0.00 0.47 0.00 0.00 55.06 57.10 2jsn s HIS 33 Cb -0.16 0.29 0.05 0.00 -0.13 0.00 0.00 32.58 32.63 2jsn s HIS 33 CO 0.11 -0.45 0.79 -3.47 -2.47 0.00 0.00 174.74 169.25 2jsn n ASP 34 N 1.79 -5.06 -1.94 9.88 2.03 -1.26 -1.11 116.55 120.88 2jsn n ASP 34 Ca -0.17 -0.53 -0.14 0.00 0.52 0.00 0.00 54.79 54.47 2jsn n ASP 34 Cb 0.56 -4.07 -0.03 0.00 -0.72 0.00 0.00 41.12 36.86 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 -4.32 -1.75 -3.88 -0.67 -0.58 -1.26 -4.94 120.64 103.24 2jsn n GLU 35 Ca -0.01 0.73 -0.20 0.00 -0.42 0.00 0.00 57.16 57.25 2jsn n GLU 35 Cb 0.56 -5.17 -0.05 0.00 -0.57 0.00 0.00 31.44 26.20 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 -2.39 0.74 -4.93 3.49 1.74 -0.27 -1.00 116.66 114.03 2jsn n ARG 36 Ca -0.15 -2.68 -0.32 0.00 -0.77 0.00 0.00 57.85 53.93 2jsn n ARG 36 Cb 0.54 1.31 -0.17 0.00 -1.02 0.00 0.00 32.46 33.12 2jsn n ARG 36 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jsn s VAL 37 N -2.66 1.98 0.21 1.55 1.01 -1.26 -1.04 120.40 120.18 2jsn s VAL 37 Ca 0.13 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.25 2jsn s VAL 37 Cb 0.01 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 2jsn s VAL 37 CO 0.09 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.78 2jsn s LEU 38 N 0.58 2.51 0.04 3.92 1.43 -0.10 -1.52 118.68 125.53 2jsn s LEU 38 Ca -0.13 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.72 2jsn s LEU 38 Cb -0.17 -0.92 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 2jsn s LEU 38 CO 0.04 -0.02 1.96 -0.69 0.23 0.00 0.00 176.35 177.87 2jsn s VAL 39 N -2.32 3.00 -0.03 -1.59 1.01 -0.11 -1.08 120.40 119.27 2jsn s VAL 39 Ca 0.22 0.03 0.12 0.00 0.00 0.00 0.00 61.98 62.35 2jsn s VAL 39 Cb -0.05 -3.02 -0.21 0.00 0.00 0.00 0.00 36.38 33.11 2jsn s VAL 39 CO 0.09 -0.00 0.80 0.00 0.00 0.00 0.00 175.10 175.99 2jsn h ALA 40 N 10.53 0.69 -2.93 5.51 0.00 -1.25 -2.70 119.26 129.13 2jsn h ALA 40 Ca -0.49 -1.27 -0.18 0.00 0.00 0.00 0.00 54.91 52.96 2jsn h ALA 40 Cb 1.24 0.35 -0.30 0.00 0.00 0.00 0.00 17.79 19.08 2jsn h ALA 40 CO 0.94 1.42 -0.46 0.12 0.00 0.00 0.00 179.25 181.27 2jsn s PHE 41 N -2.67 -0.40 0.00 0.00 5.36 -1.08 -4.94 117.98 114.25 2jsn s PHE 41 Ca -0.03 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 2jsn s PHE 41 Cb 0.08 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 2jsn s PHE 41 CO 0.82 -0.28 0.00 0.41 -1.46 0.00 0.00 175.22 174.71 2jsn n GLY 42 N 4.46 2.17 2.38 13.12 0.00 -1.26 -4.85 105.19 121.21 2jsn n GLY 42 Ca -0.21 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.47 1.15 -4.41 1.61 10.64 -1.22 -0.89 117.38 123.79 2jsn n GLN 43 Ca 0.00 -1.44 -0.21 0.00 -1.83 0.00 0.00 57.00 53.52 2jsn n GLN 43 Cb 0.00 0.21 -0.10 0.00 -0.86 0.00 0.00 30.24 29.49 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 -0.31 1.50 0.09 2.61 1.81 -1.26 -4.91 118.95 118.48 2jsn s ARG 44 Ca 0.10 -1.68 -0.34 0.00 -1.72 0.00 0.00 55.73 52.08 2jsn s ARG 44 Cb 0.36 -1.39 -0.14 0.00 -0.45 0.00 0.00 34.95 33.33 2jsn s ARG 44 CO -0.10 0.23 1.64 -3.47 -0.68 0.00 0.00 175.30 172.92 2jsn n ASP 45 N -0.50 3.07 0.00 0.23 2.03 -1.26 -1.48 116.55 118.65 2jsn n ASP 45 Ca -0.07 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.30 2jsn n ASP 45 Cb 0.61 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 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 3.60 1.77 1.08 0.27 0.00 -1.26 -4.77 105.19 105.88 2jsn n GLY 46 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 2jsn n GLY 46 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jsn n ILE 47 N -2.00 0.00 -1.57 -0.61 0.13 -0.55 -4.66 119.36 110.10 2jsn n ILE 47 Ca 0.00 -0.51 -0.33 0.00 -1.10 0.00 0.00 62.75 60.80 2jsn n ILE 47 Cb 0.00 0.72 0.07 0.00 -0.84 0.00 0.00 39.64 39.59 2jsn n ILE 47 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2jsn s ARG 48 N 0.00 2.48 0.14 9.51 3.52 -0.68 -3.46 118.95 130.46 2jsn s ARG 48 Ca 0.17 1.49 -0.33 0.00 -0.13 0.00 0.00 55.73 56.93 2jsn s ARG 48 Cb 0.20 -1.90 -0.17 0.00 -1.56 0.00 0.00 34.95 31.52 2jsn s ARG 48 CO -0.09 -1.52 0.95 1.33 -0.81 0.00 0.00 175.30 175.17 2jsn n VAL 49 N -2.67 1.02 0.00 7.11 0.24 -0.07 -1.92 118.33 122.04 2jsn n VAL 49 Ca 0.11 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2jsn n VAL 49 Cb 0.52 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 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 1.84 1.74 3.75 7.63 0.00 -1.02 -4.97 105.19 114.17 2jsn n GLY 50 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.33 2.44 0.07 1.61 3.76 -0.81 -4.49 115.29 115.54 2jsn s HIS 51 Ca 0.00 1.56 0.09 0.00 -0.15 0.00 0.00 55.06 56.56 2jsn s HIS 51 Cb 0.00 -3.31 -0.03 0.00 1.11 0.00 0.00 32.58 30.35 2jsn s HIS 51 CO 0.00 -2.00 -0.24 0.00 -0.85 0.00 0.00 174.74 171.66 2jsn s ALA 52 N -2.07 2.42 0.29 -1.40 0.00 0.44 -0.94 121.76 120.50 2jsn s ALA 52 Ca 0.71 -1.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 2jsn s ALA 52 Cb -0.25 -0.54 -0.10 0.00 0.00 0.00 0.00 23.12 22.24 2jsn s ALA 52 CO 0.39 0.55 1.30 0.08 0.00 0.00 0.00 175.76 178.08 2jsn s VAL 53 N -0.93 2.91 0.00 0.00 1.01 -0.58 -1.08 120.40 121.73 2jsn s VAL 53 Ca 0.14 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2jsn s VAL 53 Cb -0.10 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2jsn s VAL 53 CO 0.05 0.18 0.00 0.18 0.00 0.00 0.00 175.10 175.51 2jsn n LEU 54 N 1.44 0.00 -3.73 3.92 4.77 0.51 -4.79 117.00 119.12 2jsn n LEU 54 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 2jsn n LEU 54 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2jsn n LEU 54 CO 0.58 0.00 0.06 0.00 -1.33 0.00 0.00 177.39 176.70 2jsn s ALA 55 N -1.90 -0.69 -0.01 -1.18 0.00 -0.60 -1.13 121.76 116.25 2jsn s ALA 55 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 2jsn s ALA 55 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.65 2jsn s ALA 55 CO 0.00 -0.53 0.03 0.42 0.00 0.00 0.00 175.76 175.67 2jsn s ILE 56 N -3.40 -0.03 -0.99 0.00 1.01 -0.26 -0.85 121.20 116.68 2jsn s ILE 56 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2jsn s ILE 56 Cb 0.02 -0.06 0.00 0.00 0.01 0.00 0.00 42.46 42.43 2jsn s ILE 56 CO -0.09 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.49 2jsn n ASN 57 N 3.62 -3.45 0.00 3.58 3.02 0.35 -0.42 115.26 121.96 2jsn n ASN 57 Ca -0.20 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2jsn n ASN 57 Cb 0.55 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.71 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 -0.65 2.20 3.59 7.41 0.00 -1.26 -5.01 105.19 111.46 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 -0.30 3.56 0.05 1.61 -1.94 0.44 -5.00 119.30 117.73 2jsn s MET 59 Ca 0.00 0.49 -0.31 0.00 -1.71 0.00 0.00 55.69 54.16 2jsn s MET 59 Cb 0.00 -4.00 -0.10 0.00 2.01 0.00 0.00 34.83 32.75 2jsn s MET 59 CO 0.00 -1.60 1.92 -3.47 -0.01 0.00 0.00 175.02 171.86 2jsn n ASP 60 N 8.47 4.06 -4.74 3.03 -0.08 -1.26 -1.11 116.55 124.91 2jsn n ASP 60 Ca 0.12 0.94 -0.41 0.00 -1.51 0.00 0.00 54.79 53.92 2jsn n ASP 60 Cb 0.49 -1.52 -0.04 0.00 2.34 0.00 0.00 41.12 42.39 2jsn n ASP 60 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2jsn s VAL 61 N 3.85 3.90 -1.46 5.18 -7.23 -0.28 -3.67 120.40 120.69 2jsn s VAL 61 Ca 0.87 1.71 -0.13 0.00 -1.81 0.00 0.00 61.98 62.62 2jsn s VAL 61 Cb -0.48 -4.09 -0.01 0.00 0.56 0.00 0.00 36.38 32.37 2jsn s VAL 61 CO 0.41 0.33 2.41 -3.20 -0.31 0.00 0.00 175.10 174.75 2jsn n ASN 62 N 2.09 5.17 0.00 4.85 5.15 0.11 -4.88 115.26 127.74 2jsn n ASN 62 Ca 0.01 -2.75 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 2jsn n ASN 62 Cb 0.46 -1.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.12 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 3.97 1.12 0.01 8.20 0.00 -1.26 -1.50 105.19 115.73 2jsn n GLY 63 Ca 0.59 0.49 0.12 0.00 0.00 0.00 0.00 46.02 47.23 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 0.03 -4.34 1.61 1.85 -0.17 -4.33 116.66 111.31 2jsn n ARG 64 Ca 0.00 0.08 -0.26 0.00 -1.00 0.00 0.00 57.85 56.67 2jsn n ARG 64 Cb 0.00 -1.54 -0.10 0.00 -1.05 0.00 0.00 32.46 29.78 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 -3.02 2.53 1.17 2.89 2.02 -0.56 -0.70 117.35 121.68 2jsn s TYR 65 Ca 0.12 -0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.37 2jsn s TYR 65 Cb 0.16 -1.22 0.27 0.00 -0.40 0.00 0.00 41.96 40.77 2jsn s TYR 65 CO 0.48 0.53 1.14 0.95 -1.57 0.00 0.00 175.55 177.08 2jsn s THR 66 N -1.81 1.66 0.29 -0.71 -4.23 0.43 0.08 115.64 111.35 2jsn s THR 66 Ca 0.25 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.73 2jsn s THR 66 Cb -0.08 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.47 2jsn s THR 66 CO 0.14 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.18 2jsn h ALA 67 N -2.44 1.39 -0.30 3.99 0.00 -1.83 -2.79 119.26 117.27 2jsn h ALA 67 Ca -0.45 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 2jsn h ALA 67 Cb 1.29 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jsn h ALA 67 CO 0.35 0.55 -0.48 0.22 0.00 0.00 0.00 179.25 179.90 2jsn h ASP 68 N 1.17 0.90 0.00 0.00 3.58 -1.92 -3.48 116.42 116.67 2jsn h ASP 68 Ca 0.33 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2jsn h ASP 68 Cb -0.10 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.70 2jsn h ASP 68 CO -0.08 1.23 0.00 0.61 -2.88 0.00 0.00 179.24 178.12 2jsn n GLY 69 N 0.24 0.43 3.75 -0.78 0.00 -1.05 -5.12 105.19 102.65 2jsn n GLY 69 Ca -0.03 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 4.12 0.12 1.61 -0.14 -1.26 -4.51 119.74 119.68 2jsn s LYS 70 Ca 0.00 2.58 -0.31 0.00 -1.36 0.00 0.00 55.97 56.88 2jsn s LYS 70 Cb 0.00 -3.02 -0.08 0.00 -1.68 0.00 0.00 37.83 33.05 2jsn s LYS 70 CO 0.00 -0.63 1.41 -2.00 -0.76 0.00 0.00 175.35 173.37 2jsn s GLU 71 N -0.58 4.31 0.24 1.68 2.12 -1.26 -0.43 118.70 124.77 2jsn s GLU 71 Ca 0.63 2.11 -0.05 0.00 0.36 0.00 0.00 54.97 58.02 2jsn s GLU 71 Cb -0.48 -3.24 0.39 0.00 0.26 0.00 0.00 34.13 31.07 2jsn s GLU 71 CO 0.49 -0.46 1.77 0.28 -0.54 0.00 0.00 175.26 176.80 2jsn h VAL 72 N 4.23 0.81 -0.57 3.70 2.07 -1.24 0.91 116.25 126.16 2jsn h VAL 72 Ca -0.42 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 2jsn h VAL 72 Cb 1.21 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2jsn h VAL 72 CO 0.87 0.11 -0.06 -0.07 0.02 0.00 0.00 177.57 178.45 2jsn h LEU 73 N 0.61 1.03 -0.36 2.57 3.38 -1.91 -0.64 115.31 120.00 2jsn h LEU 73 Ca 0.38 -0.32 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2jsn h LEU 73 Cb 0.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jsn h LEU 73 CO -0.30 1.11 -0.32 -0.08 0.09 0.00 0.00 178.44 178.95 2jsn h GLU 74 N 0.94 0.85 -0.49 1.13 4.81 -1.74 -0.67 114.58 119.40 2jsn h GLU 74 Ca 0.16 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 2jsn h GLU 74 Cb 0.62 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2jsn h GLU 74 CO 0.04 1.07 0.32 -0.92 -0.73 0.00 0.00 179.01 178.79 2jsn h TYR 75 N 0.64 0.60 -0.01 0.92 3.20 -0.51 -0.07 116.97 121.74 2jsn h TYR 75 Ca 0.06 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.74 2jsn h TYR 75 Cb 0.90 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.96 2jsn h TYR 75 CO 0.07 0.37 -0.88 -0.07 -1.64 0.00 0.00 178.16 176.01 2jsn h LEU 76 N 0.65 0.42 -1.11 2.82 3.38 -1.14 -3.27 115.31 117.06 2jsn h LEU 76 Ca 0.18 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2jsn h LEU 76 Cb -0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jsn h LEU 76 CO -0.05 1.11 -0.32 1.23 0.09 0.00 0.00 178.44 180.50 2jsn h GLY 77 N 1.47 0.24 -6.08 0.83 0.00 -0.65 -3.41 103.07 95.47 2jsn h GLY 77 Ca -0.06 -0.20 -0.56 0.00 0.00 0.00 0.00 47.33 46.52 2jsn h GLY 77 CO 0.15 0.18 1.35 0.21 0.00 0.00 0.00 176.54 178.42 2jsn s ASN 78 N -6.88 6.00 0.28 0.19 2.47 -0.08 -4.89 114.94 112.03 2jsn s ASN 78 Ca -0.05 2.32 0.24 0.00 0.42 0.00 0.00 52.86 55.80 2jsn s ASN 78 Cb 0.14 -2.52 1.00 0.00 -1.45 0.00 0.00 41.25 38.42 2jsn s ASN 78 CO 0.76 -1.46 1.73 1.55 -3.72 0.00 0.00 177.10 175.96 2jsn h PRO 79 N 12.61 0.00 0.00 0.43 0.13 -1.90 -0.60 132.00 142.67 2jsn h PRO 79 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 1.29 -2.46 -0.56 0.00 -1.26 -2.47 120.51 113.24 2jsn n ALA 80 Ca 0.02 0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 2jsn n ALA 80 Cb 0.25 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.25 1.76 0.19 0.00 5.15 -0.26 -4.88 115.26 114.98 2jsn n ASN 81 Ca -0.00 -2.44 -0.14 0.00 -0.60 0.00 0.00 54.58 51.40 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 1.75 -0.44 -2.95 1.20 -1.99 -1.20 -3.43 116.97 109.91 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 1.51 0.15 -0.01 0.00 2.00 0.00 0.00 36.73 40.38 2jsn h TYR 82 CO 0.45 -0.15 0.81 -1.25 -0.00 0.00 0.00 178.16 178.02 2jsn s PRO 83 N -5.11 4.30 0.25 4.88 0.04 -1.26 -4.27 135.00 133.83 2jsn s PRO 83 Ca -0.15 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 2jsn s PRO 83 Cb 0.03 -3.58 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 2jsn s PRO 83 CO 0.57 -0.55 0.43 0.14 0.04 0.00 0.00 177.00 177.64 2jsn s VAL 84 N 2.39 0.00 -0.02 -0.36 -7.23 -0.55 -5.01 120.40 109.63 2jsn s VAL 84 Ca 0.62 -1.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.34 2jsn s VAL 84 Cb -0.30 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 2jsn s VAL 84 CO 0.25 0.00 -0.19 -0.44 -0.31 0.00 0.00 175.10 174.42 2jsn s SER 85 N -3.06 2.20 0.02 4.85 0.01 -1.26 -0.81 113.70 115.64 2jsn s SER 85 Ca 0.25 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.19 2jsn s SER 85 Cb 0.00 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 2jsn s SER 85 CO 0.10 0.23 -0.05 -0.63 0.41 0.00 0.00 173.24 173.30 2jsn s ILE 86 N -0.43 0.34 -0.01 1.44 1.01 -0.08 -0.50 121.20 122.97 2jsn s ILE 86 Ca 0.07 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2jsn s ILE 86 Cb -0.07 -0.37 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2jsn s ILE 86 CO -0.01 -0.18 -0.26 -0.60 0.00 0.00 0.00 174.94 173.90 2jsn s ARG 87 N -0.83 2.07 0.40 2.79 3.52 -0.03 -1.07 118.95 125.80 2jsn s ARG 87 Ca -0.05 -0.94 0.04 0.00 -0.13 0.00 0.00 55.73 54.65 2jsn s ARG 87 Cb -0.06 -2.02 -0.05 0.00 -1.56 0.00 0.00 34.95 31.26 2jsn s ARG 87 CO -0.00 0.55 0.05 -0.06 -0.81 0.00 0.00 175.30 175.03 2jsn s PHE 88 N -0.62 2.08 0.00 5.12 0.40 -1.26 -0.36 117.98 123.34 2jsn s PHE 88 Ca 0.10 -0.92 0.00 0.00 -0.60 0.00 0.00 56.93 55.51 2jsn s PHE 88 Cb -0.10 -1.47 0.00 0.00 0.51 0.00 0.00 43.02 41.96 2jsn s PHE 88 CO -0.01 0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.45 2jsn n GLY 89 N -0.91 0.90 3.88 4.36 0.00 -0.24 -1.13 105.19 112.06 2jsn n GLY 89 Ca -0.07 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 1.52 3.75 0.23 1.61 3.00 0.20 -0.42 118.95 128.83 2jsn s ARG 90 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 55.73 55.58 2jsn s ARG 90 Cb 0.00 -2.71 -0.14 0.00 0.00 0.00 0.00 34.95 32.10 2jsn s ARG 90 CO 0.00 0.36 1.25 -2.30 0.00 0.00 0.00 175.30 174.61 2jsn n PRO 91 N -0.07 1.62 0.13 3.54 -0.02 -1.26 -4.72 135.00 134.22 2jsn n PRO 91 Ca -0.00 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 2jsn n PRO 91 Cb 0.52 -2.12 0.46 0.00 -0.02 0.00 0.00 33.50 32.34 2jsn n PRO 91 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jsn h ARG 92 N 3.43 0.00 0.00 -0.52 3.08 -1.96 -3.47 114.38 114.93 2jsn h ARG 92 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2jsn h ARG 92 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2jsn h ARG 92 CO 0.70 0.00 0.00 -0.11 -1.07 0.00 0.00 179.97 179.49 2jsn n LEU 93 N -2.32 0.00 -4.15 3.04 7.94 -1.26 -4.65 117.00 115.60 2jsn n LEU 93 Ca 0.03 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.62 2jsn n LEU 93 Cb 0.32 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.22 2jsn n LEU 93 CO 0.24 0.00 -0.22 0.35 -1.11 0.00 0.00 177.39 176.65 2jsn n THR 94 N 0.00 -1.83 -1.68 1.96 -2.24 -1.26 -4.82 114.28 104.41 2jsn n THR 94 Ca 0.00 -0.33 -0.55 0.00 -2.27 0.00 0.00 64.05 60.91 2jsn n THR 94 Cb 0.00 -1.87 -0.06 0.00 -2.10 0.00 0.00 70.33 66.29 2jsn n THR 94 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jsn n SER 95 N -2.84 2.39 0.00 3.42 7.64 -1.26 -5.25 113.62 117.73 2jsn n SER 95 Ca -0.18 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2jsn n SER 95 Cb 0.62 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2jsn n SER 95 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57