#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 0.96 0.00 -5.12 0.00 -1.26 -5.02 105.19 94.75 2jsn n GLY 2 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.98 2jsn n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jsn n HIS 3 N 0.00 0.00 0.26 1.61 -0.00 -1.26 -2.07 115.22 113.76 2jsn n HIS 3 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 2jsn n HIS 3 Cb 0.00 -0.49 0.69 0.00 -0.00 0.00 0.00 29.99 30.19 2jsn n HIS 3 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2jsn h HIS 4 N 0.00 0.00 -4.23 4.41 3.86 -2.10 -3.44 115.15 113.65 2jsn h HIS 4 Ca 0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 2jsn h HIS 4 Cb 0.07 0.00 0.15 0.00 1.06 0.00 0.00 27.41 28.69 2jsn h HIS 4 CO 0.00 0.14 0.28 -1.01 0.86 0.00 0.00 177.93 178.20 2jsn s HIS 5 N -4.23 2.34 0.10 2.45 4.02 -0.88 -5.09 115.29 114.01 2jsn s HIS 5 Ca -0.03 1.52 -0.11 0.00 1.02 0.00 0.00 55.06 57.47 2jsn s HIS 5 Cb 0.13 -3.12 0.01 0.00 -1.02 0.00 0.00 32.58 28.58 2jsn s HIS 5 CO 0.60 -2.13 0.25 -1.58 1.02 0.00 0.00 174.74 172.90 2jsn s HIS 6 N -2.86 0.07 0.57 1.40 5.65 -1.26 -5.15 115.29 113.71 2jsn s HIS 6 Ca 0.63 -0.47 -0.21 0.00 0.25 0.00 0.00 55.06 55.26 2jsn s HIS 6 Cb -0.18 0.02 -0.04 0.00 -1.18 0.00 0.00 32.58 31.20 2jsn s HIS 6 CO 0.57 -0.59 1.35 -1.58 -0.65 0.00 0.00 174.74 173.84 2jsn s HIS 7 N -3.85 2.20 0.19 3.88 2.46 -1.26 -5.05 115.29 113.87 2jsn s HIS 7 Ca 0.05 1.39 -0.16 0.00 0.47 0.00 0.00 55.06 56.81 2jsn s HIS 7 Cb 0.04 -3.80 0.02 0.00 -0.13 0.00 0.00 32.58 28.71 2jsn s HIS 7 CO -0.11 -2.98 0.47 -3.38 -2.47 0.00 0.00 174.74 166.27 2jsn s HIS 8 N -1.31 -0.02 0.30 3.88 -3.43 -1.26 -5.14 115.29 108.31 2jsn s HIS 8 Ca 0.75 -0.33 -0.29 0.00 -0.80 0.00 0.00 55.06 54.38 2jsn s HIS 8 Cb -0.40 0.30 -0.11 0.00 -1.43 0.00 0.00 32.58 30.94 2jsn s HIS 8 CO 0.46 -0.87 1.50 -1.17 -2.00 0.00 0.00 174.74 172.66 2jsn s LEU 9 N -2.89 4.36 0.02 5.38 2.96 -1.26 -5.02 118.68 122.23 2jsn s LEU 9 Ca 0.11 2.87 -0.08 0.00 -0.22 0.00 0.00 54.13 56.80 2jsn s LEU 9 Cb -0.00 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.05 2jsn s LEU 9 CO -0.02 -0.81 0.17 -0.62 -1.32 0.00 0.00 176.35 173.75 2jsn s ASP 10 N 0.21 0.04 0.45 3.68 -1.08 -1.26 -5.06 116.67 113.65 2jsn s ASP 10 Ca 0.58 -0.31 0.14 0.00 -0.52 0.00 0.00 52.55 52.44 2jsn s ASP 10 Cb -0.45 0.25 1.02 0.00 -1.46 0.00 0.00 42.92 42.28 2jsn s ASP 10 CO 0.51 -0.48 2.02 0.28 0.52 0.00 0.00 175.17 178.01 2jsn h SER 11 N 3.79 0.06 -5.13 -0.34 0.02 -2.06 -3.45 113.55 106.45 2jsn h SER 11 Ca -0.32 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.56 2jsn h SER 11 Cb 1.19 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2jsn h SER 11 CO 0.45 0.18 0.15 -0.72 -1.14 0.00 0.00 176.83 175.75 2jsn s TYR 12 N -4.78 0.30 0.02 3.45 -0.85 -1.26 -5.19 117.35 109.04 2jsn s TYR 12 Ca -0.05 -0.85 0.02 0.00 -0.52 0.00 0.00 57.07 55.68 2jsn s TYR 12 Cb 0.16 0.60 -0.02 0.00 0.38 0.00 0.00 41.96 43.08 2jsn s TYR 12 CO 0.70 -1.42 -0.06 0.00 -1.52 0.00 0.00 175.55 173.25 2jsn s ALA 13 N -2.72 0.46 0.89 9.51 0.00 -1.26 -5.12 121.76 123.51 2jsn s ALA 13 Ca 0.19 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 2jsn s ALA 13 Cb -0.04 0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.21 2jsn s ALA 13 CO 0.13 0.01 1.09 -1.25 0.00 0.00 0.00 175.76 175.74 2jsn s PRO 14 N -1.02 1.28 0.00 0.00 0.04 -1.26 -4.78 135.00 129.26 2jsn s PRO 14 Ca -0.06 1.02 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2jsn s PRO 14 Cb -0.07 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2jsn s PRO 14 CO 0.00 -2.28 0.45 0.54 0.04 0.00 0.00 177.00 175.76 2jsn n ARG 15 N -3.93 0.74 -1.72 4.56 5.12 -1.26 -4.91 116.66 115.26 2jsn n ARG 15 Ca 0.08 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.57 2jsn n ARG 15 Cb 0.54 -1.29 -0.02 0.00 -1.16 0.00 0.00 32.46 30.53 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jsn n ALA 16 N -0.01 2.35 -3.65 7.54 0.00 -1.26 -1.48 120.51 123.99 2jsn n ALA 16 Ca 0.00 0.39 -0.27 0.00 0.00 0.00 0.00 53.44 53.57 2jsn n ALA 16 Cb 0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 2jsn n ALA 16 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jsn n GLU 17 N 2.89 -2.68 -4.15 0.00 0.28 0.10 -4.90 120.64 112.17 2jsn n GLU 17 Ca 0.12 0.31 -0.15 0.00 -0.16 0.00 0.00 57.16 57.29 2jsn n GLU 17 Cb 0.35 -4.96 -0.06 0.00 1.43 0.00 0.00 31.44 28.19 2jsn n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jsn s ALA 18 N -2.93 1.03 0.06 -1.84 0.00 -0.55 -5.01 121.76 112.51 2jsn s ALA 18 Ca 0.50 -1.63 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 2jsn s ALA 18 Cb -0.28 1.28 0.03 0.00 0.00 0.00 0.00 23.12 24.15 2jsn s ALA 18 CO 0.62 -0.73 0.36 -1.83 0.00 0.00 0.00 175.76 174.18 2jsn s GLU 19 N -3.47 0.90 0.24 0.00 -1.05 -1.26 -2.06 118.70 112.00 2jsn s GLU 19 Ca 0.34 -0.49 -0.20 0.00 -0.15 0.00 0.00 54.97 54.47 2jsn s GLU 19 Cb 0.02 0.40 0.03 0.00 -0.44 0.00 0.00 34.13 34.13 2jsn s GLU 19 CO 0.20 -0.31 0.65 0.21 0.95 0.00 0.00 175.26 176.95 2jsn s LYS 20 N -2.75 1.60 0.41 -4.83 2.20 -0.87 -4.99 119.74 110.51 2jsn s LYS 20 Ca -0.04 -0.87 -0.24 0.00 -0.36 0.00 0.00 55.97 54.46 2jsn s LYS 20 Cb -0.00 0.58 -0.09 0.00 -1.51 0.00 0.00 37.83 36.81 2jsn s LYS 20 CO -0.04 -0.72 1.08 0.95 -0.36 0.00 0.00 175.35 176.26 2jsn s THR 21 N -3.88 3.55 0.12 3.43 -4.23 -1.26 -1.31 115.64 112.06 2jsn s THR 21 Ca 0.09 1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 61.76 2jsn s THR 21 Cb -0.04 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.15 2jsn s THR 21 CO 0.01 0.02 0.11 -0.36 -0.54 0.00 0.00 174.62 173.87 2jsn s PHE 22 N -1.60 0.60 0.34 3.99 0.08 0.27 -4.93 117.98 116.73 2jsn s PHE 22 Ca 0.58 -1.01 -0.16 0.00 0.12 0.00 0.00 56.93 56.47 2jsn s PHE 22 Cb -0.24 -0.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 2jsn s PHE 22 CO 0.30 -0.55 0.72 -1.54 -0.10 0.00 0.00 175.22 174.06 2jsn s SER 23 N -2.98 -0.01 0.08 1.36 1.04 -1.26 -1.26 113.70 110.67 2jsn s SER 23 Ca 0.17 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.61 2jsn s SER 23 Cb 0.06 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.92 2jsn s SER 23 CO -0.02 -1.52 -0.05 -0.31 0.98 0.00 0.00 173.24 172.31 2jsn s TYR 24 N -2.98 0.74 0.76 5.02 2.02 -1.26 -4.42 117.35 117.22 2jsn s TYR 24 Ca 0.16 -0.91 -0.13 0.00 -0.37 0.00 0.00 57.07 55.81 2jsn s TYR 24 Cb -0.05 -0.46 0.05 0.00 -0.40 0.00 0.00 41.96 41.11 2jsn s TYR 24 CO 0.11 -0.21 1.14 -1.25 -1.57 0.00 0.00 175.55 173.76 2jsn s PRO 25 N -3.60 2.14 0.14 -1.71 0.04 -1.26 -5.03 135.00 125.72 2jsn s PRO 25 Ca 0.08 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 2jsn s PRO 25 Cb 0.04 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.78 2jsn s PRO 25 CO -0.06 -1.77 0.54 -1.17 0.04 0.00 0.00 177.00 174.58 2jsn s LEU 26 N -5.54 -0.28 0.42 -3.56 2.96 -1.26 -5.05 118.68 106.38 2jsn s LEU 26 Ca 0.67 -0.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.64 2jsn s LEU 26 Cb -0.22 2.36 0.91 0.00 0.50 0.00 0.00 46.19 49.73 2jsn s LEU 26 CO 0.49 -0.91 1.98 -0.78 -1.32 0.00 0.00 176.35 175.81 2jsn h ASP 27 N 2.18 0.18 -2.68 3.68 3.58 -1.95 -3.41 116.42 118.01 2jsn h ASP 27 Ca -0.34 -0.03 -0.55 0.00 0.42 0.00 0.00 57.03 56.54 2jsn h ASP 27 Cb 1.28 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 2jsn h ASP 27 CO 0.41 0.28 1.03 -0.22 -2.88 0.00 0.00 179.24 177.85 2jsn s LEU 28 N -8.88 4.32 0.10 2.28 0.20 -1.26 -3.43 118.68 112.01 2jsn s LEU 28 Ca -0.05 2.23 0.03 0.00 0.69 0.00 0.00 54.13 57.02 2jsn s LEU 28 Cb 0.16 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.34 2jsn s LEU 28 CO 0.72 -0.88 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.04 2jsn s LEU 29 N 3.57 2.43 0.11 -0.68 1.43 0.05 -4.95 118.68 120.64 2jsn s LEU 29 Ca 0.71 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2jsn s LEU 29 Cb -0.33 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 2jsn s LEU 29 CO 0.29 -0.30 -0.11 -0.76 0.23 0.00 0.00 176.35 175.69 2jsn s LEU 30 N -2.56 2.41 0.03 1.79 1.43 -1.26 -0.56 118.68 119.96 2jsn s LEU 30 Ca 0.07 -0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 2jsn s LEU 30 Cb -0.01 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.83 2jsn s LEU 30 CO -0.01 -0.23 0.19 -1.59 0.23 0.00 0.00 176.35 174.95 2jsn s LYS 31 N -2.81 0.66 0.03 1.70 0.00 -0.35 -4.71 119.74 114.26 2jsn s LYS 31 Ca 0.07 -0.57 -0.30 0.00 0.00 0.00 0.00 55.97 55.17 2jsn s LYS 31 Cb -0.03 0.27 -0.04 0.00 0.00 0.00 0.00 37.83 38.03 2jsn s LYS 31 CO 0.01 -0.18 1.03 -1.17 0.00 0.00 0.00 175.35 175.03 2jsn s LEU 32 N -1.93 4.39 -0.18 2.77 2.96 -1.26 -0.62 118.68 124.80 2jsn s LEU 32 Ca -0.07 1.76 -0.16 0.00 -0.22 0.00 0.00 54.13 55.44 2jsn s LEU 32 Cb -0.02 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 43.14 2jsn s LEU 32 CO -0.02 -0.28 0.49 -2.28 -1.32 0.00 0.00 176.35 172.93 2jsn s HIS 33 N 0.86 -0.56 -1.57 5.38 5.65 -0.23 -4.94 115.29 119.87 2jsn s HIS 33 Ca 0.53 1.34 -0.11 0.00 0.25 0.00 0.00 55.06 57.06 2jsn s HIS 33 Cb -0.23 0.21 0.09 0.00 -1.18 0.00 0.00 32.58 31.47 2jsn s HIS 33 CO 0.29 -0.28 0.70 -3.47 -0.65 0.00 0.00 174.74 171.33 2jsn n ASP 34 N 3.04 -2.53 -2.02 9.88 2.03 -1.26 -1.04 116.55 124.65 2jsn n ASP 34 Ca -0.15 -0.97 -0.19 0.00 0.52 0.00 0.00 54.79 54.00 2jsn n ASP 34 Cb 0.57 -3.06 -0.04 0.00 -0.72 0.00 0.00 41.12 37.86 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 -4.44 -1.62 -4.38 -0.67 1.02 -1.26 -4.98 120.64 104.31 2jsn n GLU 35 Ca -0.06 1.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.91 2jsn n GLU 35 Cb 0.56 -5.54 -0.10 0.00 -0.02 0.00 0.00 31.44 26.34 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 -4.39 1.49 -0.25 3.49 1.81 -0.21 -3.25 118.95 117.63 2jsn s ARG 36 Ca 0.00 -1.79 -0.03 0.00 -1.72 0.00 0.00 55.73 52.19 2jsn s ARG 36 Cb 0.00 -0.69 0.02 0.00 -0.45 0.00 0.00 34.95 33.83 2jsn s ARG 36 CO 0.00 -0.16 -0.02 0.08 -0.68 0.00 0.00 175.30 174.52 2jsn s VAL 37 N -3.40 3.23 0.13 3.52 1.01 -1.26 -1.07 120.40 122.57 2jsn s VAL 37 Ca 0.33 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2jsn s VAL 37 Cb 0.07 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2jsn s VAL 37 CO 0.12 0.21 -0.01 -0.76 0.00 0.00 0.00 175.10 174.67 2jsn s LEU 38 N 1.40 3.36 -0.42 3.92 1.02 0.21 -1.31 118.68 126.85 2jsn s LEU 38 Ca 0.02 -0.29 -0.27 0.00 0.02 0.00 0.00 54.13 53.60 2jsn s LEU 38 Cb -0.16 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 2jsn s LEU 38 CO -0.03 0.13 2.11 -0.69 0.02 0.00 0.00 176.35 177.90 2jsn s VAL 39 N -1.49 3.19 0.15 -1.59 1.01 0.34 -1.20 120.40 120.80 2jsn s VAL 39 Ca 0.26 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.42 2jsn s VAL 39 Cb -0.11 -3.36 -0.17 0.00 0.00 0.00 0.00 36.38 32.74 2jsn s VAL 39 CO 0.18 -0.30 1.34 0.00 0.00 0.00 0.00 175.10 176.32 2jsn h ALA 40 N 16.03 0.46 -2.59 5.51 0.00 -1.11 -2.81 119.26 134.74 2jsn h ALA 40 Ca -0.31 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 53.78 2jsn h ALA 40 Cb 1.22 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 2jsn h ALA 40 CO 1.10 0.96 -0.01 0.12 0.00 0.00 0.00 179.25 181.42 2jsn s PHE 41 N -3.09 -0.35 0.00 0.00 5.36 -1.01 -4.94 117.98 113.95 2jsn s PHE 41 Ca -0.02 0.29 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 2jsn s PHE 41 Cb 0.10 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 2jsn s PHE 41 CO 0.83 -0.65 0.00 0.41 -1.46 0.00 0.00 175.22 174.35 2jsn n GLY 42 N 0.26 0.00 0.10 13.12 0.00 -1.22 -0.77 105.19 116.68 2jsn n GLY 42 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.11 -0.03 1.61 3.00 -1.21 -0.98 117.38 119.88 2jsn n GLN 43 Ca 0.00 0.50 -0.02 0.00 -0.01 0.00 0.00 57.00 57.47 2jsn n GLN 43 Cb 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 30.24 28.40 2jsn n GLN 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2jsn n ARG 44 N -2.00 2.08 -0.10 -1.09 5.12 -1.26 -4.51 116.66 114.90 2jsn n ARG 44 Ca 0.00 -0.02 -0.09 0.00 -1.93 0.00 0.00 57.85 55.81 2jsn n ARG 44 Cb 0.10 -1.20 -0.02 0.00 -1.16 0.00 0.00 32.46 30.18 2jsn n ARG 44 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2jsn h ASP 45 N 0.00 0.40 0.00 0.55 3.58 -1.78 -3.48 116.42 115.70 2jsn h ASP 45 Ca -0.16 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2jsn h ASP 45 Cb 1.20 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2jsn h ASP 45 CO 0.01 0.40 0.00 0.61 -2.88 0.00 0.00 179.24 177.38 2jsn n GLY 46 N -0.89 0.90 2.81 -0.78 0.00 -0.15 -5.07 105.19 102.00 2jsn n GLY 46 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2jsn n GLY 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jsn s ILE 47 N -1.08 -0.23 0.47 -0.61 2.07 -0.43 -3.99 121.20 117.41 2jsn s ILE 47 Ca 0.00 0.37 -0.21 0.00 -1.41 0.00 0.00 60.65 59.40 2jsn s ILE 47 Cb 0.00 -0.27 -0.09 0.00 0.13 0.00 0.00 42.46 42.24 2jsn s ILE 47 CO 0.00 0.15 1.03 -0.13 -1.91 0.00 0.00 174.94 174.08 2jsn s ARG 48 N 2.26 3.88 0.74 3.50 0.52 -1.26 -3.34 118.95 125.25 2jsn s ARG 48 Ca 0.03 1.33 -0.15 0.00 -0.52 0.00 0.00 55.73 56.43 2jsn s ARG 48 Cb -0.12 -2.13 0.05 0.00 0.52 0.00 0.00 34.95 33.27 2jsn s ARG 48 CO -0.05 -0.36 1.20 0.14 0.02 0.00 0.00 175.30 176.25 2jsn s VAL 49 N -1.99 2.30 0.00 3.52 -7.23 -1.26 -3.72 120.40 112.02 2jsn s VAL 49 Ca 0.66 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 2jsn s VAL 49 Cb -0.16 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2jsn s VAL 49 CO 0.19 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 2jsn n GLY 50 N 0.36 2.25 3.69 2.32 0.00 -1.06 -4.99 105.19 107.76 2jsn n GLY 50 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.52 2.19 0.06 1.61 3.76 -1.24 -4.60 115.29 114.54 2jsn s HIS 51 Ca 0.00 1.18 0.02 0.00 -0.15 0.00 0.00 55.06 56.12 2jsn s HIS 51 Cb 0.00 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 2jsn s HIS 51 CO 0.00 -2.63 -0.08 0.00 -0.85 0.00 0.00 174.74 171.18 2jsn s ALA 52 N -2.92 0.72 0.40 -1.40 0.00 -0.01 -0.51 121.76 118.05 2jsn s ALA 52 Ca 0.64 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2jsn s ALA 52 Cb -0.19 0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 2jsn s ALA 52 CO 0.57 -0.05 1.29 0.08 0.00 0.00 0.00 175.76 177.66 2jsn s VAL 53 N -1.88 2.67 0.00 0.00 1.01 -0.43 -1.24 120.40 120.53 2jsn s VAL 53 Ca -0.04 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2jsn s VAL 53 Cb -0.07 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2jsn s VAL 53 CO -0.01 0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.37 2jsn n LEU 54 N 0.20 0.02 -3.79 3.92 4.77 0.36 -4.72 117.00 117.76 2jsn n LEU 54 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2jsn n LEU 54 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 2jsn n LEU 54 CO 0.56 0.00 -0.02 0.00 -1.33 0.00 0.00 177.39 176.60 2jsn s ALA 55 N -1.68 -0.48 -0.01 -1.18 0.00 -0.62 -1.09 121.76 116.70 2jsn s ALA 55 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2jsn s ALA 55 Cb 0.00 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.59 2jsn s ALA 55 CO 0.00 -0.49 0.01 0.42 0.00 0.00 0.00 175.76 175.71 2jsn s ILE 56 N -3.35 -0.03 -0.89 0.00 1.01 -0.29 -0.87 121.20 116.79 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 0.02 -0.05 0.00 0.00 0.01 0.00 0.00 42.46 42.44 2jsn s ILE 56 CO -0.08 0.04 0.00 0.59 0.00 0.00 0.00 174.94 175.49 2jsn n ASN 57 N 3.62 -3.30 0.00 3.58 3.02 0.34 -0.45 115.26 122.07 2jsn n ASN 57 Ca -0.20 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2jsn n ASN 57 Cb 0.55 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 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 -0.68 2.06 3.59 7.41 0.00 -1.26 -5.02 105.19 111.29 2jsn n GLY 58 Ca -0.12 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 -0.37 3.73 0.21 1.61 -1.94 0.41 -5.02 119.30 117.93 2jsn s MET 59 Ca 0.00 0.49 -0.32 0.00 -1.71 0.00 0.00 55.69 54.15 2jsn s MET 59 Cb 0.00 -3.87 -0.13 0.00 2.01 0.00 0.00 34.83 32.85 2jsn s MET 59 CO 0.00 -1.16 1.62 -3.47 -0.01 0.00 0.00 175.02 172.00 2jsn n ASP 60 N 7.22 3.53 -4.62 3.03 -0.08 -1.26 -1.13 116.55 123.24 2jsn n ASP 60 Ca 0.09 1.09 -0.41 0.00 -1.51 0.00 0.00 54.79 54.05 2jsn n ASP 60 Cb 0.48 -1.51 -0.07 0.00 2.34 0.00 0.00 41.12 42.36 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 0.73 4.99 -0.69 5.18 -7.23 -0.25 -2.76 120.40 120.37 2jsn s VAL 61 Ca 0.73 1.01 -0.26 0.00 -1.81 0.00 0.00 61.98 61.66 2jsn s VAL 61 Cb -0.58 -3.92 -0.01 0.00 0.56 0.00 0.00 36.38 32.43 2jsn s VAL 61 CO 0.39 0.00 1.70 0.21 -0.31 0.00 0.00 175.10 177.10 2jsn s ASN 62 N 1.52 5.54 0.32 4.85 2.47 0.73 -4.71 114.94 125.67 2jsn s ASN 62 Ca 0.25 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.47 2jsn s ASN 62 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2jsn s ASN 62 CO 0.09 -2.24 0.00 0.61 -3.72 0.00 0.00 177.10 171.84 2jsn n GLY 63 N 5.79 0.43 0.07 1.21 0.00 -1.26 -1.23 105.19 110.20 2jsn n GLY 63 Ca 0.19 0.61 0.03 0.00 0.00 0.00 0.00 46.02 46.85 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 1.72 -4.46 1.61 1.85 -1.20 -4.16 116.66 112.02 2jsn n ARG 64 Ca 0.00 -1.67 -0.26 0.00 -1.00 0.00 0.00 57.85 54.92 2jsn n ARG 64 Cb 0.00 -1.04 -0.13 0.00 -1.05 0.00 0.00 32.46 30.23 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 -1.38 1.94 1.10 2.89 1.51 -0.37 -0.98 117.35 122.07 2jsn s TYR 65 Ca 0.11 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.62 2jsn s TYR 65 Cb 0.09 -1.10 0.24 0.00 -0.11 0.00 0.00 41.96 41.09 2jsn s TYR 65 CO 0.01 0.19 1.09 0.95 -1.11 0.00 0.00 175.55 176.68 2jsn s THR 66 N -1.01 1.84 0.30 -0.71 -4.23 0.26 -0.19 115.64 111.89 2jsn s THR 66 Ca 0.09 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 2jsn s THR 66 Cb -0.10 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.58 2jsn s THR 66 CO 0.04 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.03 2jsn h ALA 67 N -2.27 1.51 -0.36 3.99 0.00 -1.78 -2.33 119.26 118.02 2jsn h ALA 67 Ca -0.52 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 2jsn h ALA 67 Cb 1.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jsn h ALA 67 CO 0.48 0.36 -0.39 0.22 0.00 0.00 0.00 179.25 179.93 2jsn h ASP 68 N 1.03 0.93 0.00 0.00 3.58 -1.92 -3.48 116.42 116.56 2jsn h ASP 68 Ca 0.38 -0.42 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2jsn h ASP 68 Cb 0.18 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2jsn h ASP 68 CO -0.14 1.20 0.00 0.61 -2.88 0.00 0.00 179.24 178.03 2jsn n GLY 69 N 0.10 0.42 3.77 -0.78 0.00 -0.88 -5.13 105.19 102.71 2jsn n GLY 69 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.00 0.10 1.61 -0.14 -1.26 -4.56 119.74 119.49 2jsn s LYS 70 Ca 0.00 2.48 -0.31 0.00 -1.36 0.00 0.00 55.97 56.78 2jsn s LYS 70 Cb 0.00 -2.88 -0.09 0.00 -1.68 0.00 0.00 37.83 33.19 2jsn s LYS 70 CO 0.00 -0.58 1.57 -1.21 -0.76 0.00 0.00 175.35 174.36 2jsn s GLU 71 N -2.18 4.23 0.22 1.68 2.02 -1.26 -0.58 118.70 122.83 2jsn s GLU 71 Ca 0.55 2.27 -0.08 0.00 0.02 0.00 0.00 54.97 57.74 2jsn s GLU 71 Cb -0.45 -3.40 0.29 0.00 0.10 0.00 0.00 34.13 30.67 2jsn s GLU 71 CO 0.60 -0.64 1.81 0.28 0.02 0.00 0.00 175.26 177.33 2jsn h VAL 72 N 4.48 0.96 -0.38 2.63 2.07 -1.39 0.95 116.25 125.56 2jsn h VAL 72 Ca -0.42 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 2jsn h VAL 72 Cb 1.20 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2jsn h VAL 72 CO 0.91 0.14 -0.16 -0.07 0.02 0.00 0.00 177.57 178.41 2jsn h LEU 73 N 0.75 0.71 -0.21 2.57 3.38 -1.91 -0.39 115.31 120.21 2jsn h LEU 73 Ca 0.33 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2jsn h LEU 73 Cb 0.22 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jsn h LEU 73 CO -0.20 0.88 -0.39 -0.08 0.09 0.00 0.00 178.44 178.75 2jsn h GLU 74 N 0.64 0.63 -0.39 1.13 4.57 -1.78 -0.34 114.58 119.04 2jsn h GLU 74 Ca 0.10 -0.40 0.02 0.00 -1.18 0.00 0.00 59.36 57.90 2jsn h GLU 74 Cb 0.64 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 2jsn h GLU 74 CO 0.04 1.02 0.22 -0.92 -1.18 0.00 0.00 179.01 178.19 2jsn h TYR 75 N 0.32 0.41 0.01 0.92 3.20 -0.51 -0.41 116.97 120.91 2jsn h TYR 75 Ca 0.01 0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.69 2jsn h TYR 75 Cb 0.99 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 2jsn h TYR 75 CO 0.09 0.24 -0.91 -0.07 -1.64 0.00 0.00 178.16 175.87 2jsn h LEU 76 N 0.45 0.34 -1.14 2.82 3.38 -1.13 -3.27 115.31 116.75 2jsn h LEU 76 Ca 0.16 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2jsn h LEU 76 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jsn h LEU 76 CO -0.08 1.08 -0.30 1.23 0.09 0.00 0.00 178.44 180.46 2jsn h GLY 77 N 1.68 0.23 -6.29 0.83 0.00 -0.58 -3.41 103.07 95.53 2jsn h GLY 77 Ca -0.06 -0.18 -0.57 0.00 0.00 0.00 0.00 47.33 46.52 2jsn h GLY 77 CO 0.14 0.17 1.36 0.21 0.00 0.00 0.00 176.54 178.42 2jsn s ASN 78 N -6.88 5.91 0.25 0.19 2.47 -0.21 -4.89 114.94 111.78 2jsn s ASN 78 Ca -0.05 2.14 0.24 0.00 0.42 0.00 0.00 52.86 55.61 2jsn s ASN 78 Cb 0.14 -2.52 0.96 0.00 -1.45 0.00 0.00 41.25 38.39 2jsn s ASN 78 CO 0.75 -1.56 1.72 -0.81 -3.72 0.00 0.00 177.10 173.48 2jsn n PRO 79 N 8.21 0.20 0.17 0.43 -0.04 -1.26 -1.12 135.00 141.59 2jsn n PRO 79 Ca 0.25 0.40 0.13 0.00 -0.04 0.00 0.00 63.50 64.24 2jsn n PRO 79 Cb 0.44 -1.86 0.62 0.00 -0.04 0.00 0.00 33.50 32.65 2jsn n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsn h ALA 80 N 2.30 1.00 -0.15 0.55 0.00 -1.95 -2.50 119.26 118.50 2jsn h ALA 80 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2jsn h ALA 80 Cb 0.41 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.89 2jsn h ALA 80 CO 0.00 0.00 -0.91 -1.71 0.00 0.00 0.00 179.25 176.63 2jsn n ASN 81 N -2.36 1.65 0.16 0.00 5.15 -0.27 -4.85 115.26 114.73 2jsn n ASN 81 Ca -0.00 -2.62 -0.14 0.00 -0.60 0.00 0.00 54.58 51.21 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 1.42 -0.36 -2.89 1.20 -1.99 -1.15 -3.43 116.97 109.76 2jsn h TYR 82 Ca -0.10 -0.01 -0.55 0.00 2.00 0.00 0.00 58.73 60.07 2jsn h TYR 82 Cb 1.53 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 40.38 2jsn h TYR 82 CO 0.44 -0.07 0.85 -1.25 -0.00 0.00 0.00 178.16 178.13 2jsn s PRO 83 N -5.08 4.27 0.27 4.88 0.04 -1.26 -4.15 135.00 133.98 2jsn s PRO 83 Ca -0.15 1.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.74 2jsn s PRO 83 Cb 0.03 -3.62 -0.00 0.00 0.04 0.00 0.00 34.50 30.95 2jsn s PRO 83 CO 0.59 -0.60 0.47 0.14 0.04 0.00 0.00 177.00 177.64 2jsn s VAL 84 N 2.60 0.00 -0.03 -0.36 -7.23 -0.39 -5.01 120.40 109.98 2jsn s VAL 84 Ca 0.63 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 59.40 2jsn s VAL 84 Cb -0.30 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 2jsn s VAL 84 CO 0.25 0.00 -0.24 -0.44 -0.31 0.00 0.00 175.10 174.37 2jsn s SER 85 N -3.08 2.83 -0.00 4.85 0.01 -1.26 -0.57 113.70 116.48 2jsn s SER 85 Ca 0.25 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.07 2jsn s SER 85 Cb -0.00 -0.49 -0.00 0.00 0.21 0.00 0.00 66.02 65.73 2jsn s SER 85 CO 0.12 0.27 -0.05 -0.63 0.41 0.00 0.00 173.24 173.36 2jsn s ILE 86 N -0.39 0.36 -0.06 1.44 1.01 -0.42 -0.50 121.20 122.63 2jsn s ILE 86 Ca 0.04 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.50 2jsn s ILE 86 Cb -0.11 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 2jsn s ILE 86 CO 0.01 0.08 -0.15 -0.60 0.00 0.00 0.00 174.94 174.28 2jsn s ARG 87 N -0.16 2.63 0.34 2.79 3.52 -0.05 -2.04 118.95 125.98 2jsn s ARG 87 Ca 0.01 -0.71 0.05 0.00 -0.13 0.00 0.00 55.73 54.95 2jsn s ARG 87 Cb -0.02 -2.40 -0.07 0.00 -1.56 0.00 0.00 34.95 30.90 2jsn s ARG 87 CO -0.00 0.54 0.03 -0.06 -0.81 0.00 0.00 175.30 175.00 2jsn s PHE 88 N -0.52 2.13 0.00 5.12 0.40 -0.88 -0.49 117.98 123.74 2jsn s PHE 88 Ca 0.07 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.55 2jsn s PHE 88 Cb -0.12 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2jsn s PHE 88 CO 0.01 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.51 2jsn n GLY 89 N -0.76 0.83 3.76 4.36 0.00 -0.37 -0.72 105.19 112.29 2jsn n GLY 89 Ca -0.03 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 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 0.72 2.78 0.25 1.61 3.00 -1.26 -0.83 118.95 125.23 2jsn s ARG 90 Ca 0.00 1.59 -0.03 0.00 0.00 0.00 0.00 55.73 57.29 2jsn s ARG 90 Cb 0.00 -1.93 0.51 0.00 0.00 0.00 0.00 34.95 33.53 2jsn s ARG 90 CO 0.00 -1.30 1.69 -1.35 0.00 0.00 0.00 175.30 174.34 2jsn h PRO 91 N 0.33 0.29 -3.85 3.54 0.11 -1.88 -3.43 132.00 127.12 2jsn h PRO 91 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2jsn h PRO 91 Cb 1.27 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 2jsn h PRO 91 CO 0.54 0.19 -0.36 1.03 -0.21 0.00 0.00 178.00 179.19 2jsn s ARG 92 N -6.01 0.95 0.02 1.05 0.52 -1.26 -5.01 118.95 109.21 2jsn s ARG 92 Ca -0.12 -1.04 -0.14 0.00 -0.52 0.00 0.00 55.73 53.90 2jsn s ARG 92 Cb 0.22 0.35 0.02 0.00 0.52 0.00 0.00 34.95 36.06 2jsn s ARG 92 CO 0.76 -0.32 0.30 -1.17 0.02 0.00 0.00 175.30 174.89 2jsn s LEU 93 N -2.90 0.91 0.20 2.53 2.96 -1.26 -5.06 118.68 116.05 2jsn s LEU 93 Ca 0.10 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 2jsn s LEU 93 Cb 0.04 1.29 0.13 0.00 0.50 0.00 0.00 46.19 48.15 2jsn s LEU 93 CO -0.07 -0.54 1.68 0.71 -1.32 0.00 0.00 176.35 176.80 2jsn h THR 94 N 3.49 1.26 -5.60 3.68 1.35 -2.03 -3.47 112.91 111.60 2jsn h THR 94 Ca -0.31 -1.10 -0.40 0.00 -0.55 0.00 0.00 66.41 64.05 2jsn h THR 94 Cb 1.19 0.76 -0.09 0.00 -1.73 0.00 0.00 68.15 68.28 2jsn h THR 94 CO 0.44 0.40 -0.59 -1.20 -0.25 0.00 0.00 175.52 174.32 2jsn n SER 95 N -4.19 -3.75 0.00 5.36 7.64 -1.26 -5.34 113.62 112.07 2jsn n SER 95 Ca 0.03 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.45 2jsn n SER 95 Cb 0.33 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83