#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 -0.11 0.04 -5.12 0.00 -1.26 -4.90 105.19 93.84 2jsn n GLY 2 Ca 0.00 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.66 0.19 0.27 1.61 -0.00 -1.26 -1.50 115.22 113.88 2jsn n HIS 3 Ca 0.00 0.09 0.16 0.00 -0.00 0.00 0.00 57.72 57.97 2jsn n HIS 3 Cb 0.00 -0.65 0.90 0.00 -0.00 0.00 0.00 29.99 30.24 2jsn n HIS 3 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2jsn h HIS 4 N 0.00 0.00 -0.98 4.41 -0.00 -2.08 -3.46 115.15 113.05 2jsn h HIS 4 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.14 2jsn h HIS 4 Cb 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 27.38 2jsn h HIS 4 CO 0.00 0.00 -0.21 0.72 -0.00 0.00 0.00 177.93 178.44 2jsn n HIS 5 N -3.80 -0.22 -3.85 5.26 -0.00 -0.56 -4.92 115.22 107.13 2jsn n HIS 5 Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 2jsn n HIS 5 Cb 0.15 -2.48 -0.07 0.00 -0.00 0.00 0.00 29.99 27.60 2jsn n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jsn s HIS 6 N -1.88 0.16 0.19 4.41 0.09 -1.26 -5.07 115.29 111.92 2jsn s HIS 6 Ca 0.00 -0.56 -0.05 0.00 -0.00 0.00 0.00 55.06 54.45 2jsn s HIS 6 Cb 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 32.58 32.54 2jsn s HIS 6 CO 0.00 -0.61 0.22 -3.38 -0.00 0.00 0.00 174.74 170.97 2jsn s HIS 7 N -3.88 0.76 0.21 1.40 -3.43 -1.26 -4.87 115.29 104.23 2jsn s HIS 7 Ca 0.07 -1.07 -0.32 0.00 -0.80 0.00 0.00 55.06 52.94 2jsn s HIS 7 Cb 0.04 -0.28 -0.12 0.00 -1.43 0.00 0.00 32.58 30.80 2jsn s HIS 7 CO -0.09 -0.70 1.70 -3.38 -2.00 0.00 0.00 174.74 170.28 2jsn s HIS 8 N -4.06 2.90 -1.47 0.38 -3.43 -1.26 -4.89 115.29 103.46 2jsn s HIS 8 Ca 0.27 0.39 -0.09 0.00 -0.80 0.00 0.00 55.06 54.84 2jsn s HIS 8 Cb 0.05 -4.12 0.02 0.00 -1.43 0.00 0.00 32.58 27.10 2jsn s HIS 8 CO 0.06 -4.21 2.56 1.28 -2.00 0.00 0.00 174.74 172.43 2jsn n LEU 9 N 3.84 8.06 -3.47 5.38 4.77 -1.26 -4.86 117.00 129.46 2jsn n LEU 9 Ca 0.15 -4.54 -0.37 0.00 -0.03 0.00 0.00 56.01 51.22 2jsn n LEU 9 Cb 0.36 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 39.92 2jsn n LEU 9 CO 0.64 1.87 2.75 -0.67 -1.33 0.00 0.00 177.39 180.65 2jsn n ASP 10 N 3.34 5.39 -3.59 -1.43 2.03 -1.26 -4.81 116.55 116.22 2jsn n ASP 10 Ca 0.66 -2.62 -0.11 0.00 0.52 0.00 0.00 54.79 53.23 2jsn n ASP 10 Cb 0.27 -1.42 -0.04 0.00 -0.72 0.00 0.00 41.12 39.21 2jsn n ASP 10 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2jsn s SER 11 N 3.23 -0.33 0.12 1.67 1.04 -1.26 -5.04 113.70 113.13 2jsn s SER 11 Ca 0.55 -0.16 0.25 0.00 0.48 0.00 0.00 55.95 57.07 2jsn s SER 11 Cb 0.15 0.50 0.62 0.00 0.10 0.00 0.00 66.02 67.38 2jsn s SER 11 CO -0.03 -0.84 1.55 0.00 0.98 0.00 0.00 173.24 174.90 2jsn n TYR 12 N -0.10 0.54 -1.82 5.02 0.18 -1.26 -4.96 117.16 114.75 2jsn n TYR 12 Ca -0.17 0.16 -0.39 0.00 1.88 0.00 0.00 57.90 59.38 2jsn n TYR 12 Cb 0.63 -0.68 0.03 0.00 -0.38 0.00 0.00 39.34 38.94 2jsn n TYR 12 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jsn s ALA 13 N -3.10 3.01 -1.89 -3.48 0.00 -1.26 -4.89 121.76 110.14 2jsn s ALA 13 Ca 0.09 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2jsn s ALA 13 Cb 0.14 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2jsn s ALA 13 CO 0.66 -1.26 0.52 -2.30 0.00 0.00 0.00 175.76 173.38 2jsn n PRO 14 N -0.63 0.00 0.00 0.00 -0.02 -1.26 -4.28 135.00 128.81 2jsn n PRO 14 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2jsn n PRO 14 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 2jsn n PRO 14 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2jsn n ARG 15 N -1.02 0.00 0.15 -0.52 1.85 -1.26 -1.11 116.66 114.74 2jsn n ARG 15 Ca 0.00 0.40 0.11 0.00 -1.00 0.00 0.00 57.85 57.36 2jsn n ARG 15 Cb 0.00 -1.58 0.54 0.00 -1.05 0.00 0.00 32.46 30.37 2jsn n ARG 15 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jsn n ALA 16 N -1.40 1.27 -2.24 2.89 0.00 -1.26 -4.71 120.51 115.06 2jsn n ALA 16 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2jsn n ALA 16 Cb 0.08 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 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 -3.45 1.10 0.21 0.00 2.02 -0.27 -1.28 118.70 117.04 2jsn s GLU 17 Ca 0.00 -1.52 -0.14 0.00 0.02 0.00 0.00 54.97 53.33 2jsn s GLU 17 Cb 0.07 -0.34 0.01 0.00 0.10 0.00 0.00 34.13 33.97 2jsn s GLU 17 CO 0.26 -0.09 0.47 0.00 0.02 0.00 0.00 175.26 175.92 2jsn s ALA 18 N -3.59 -0.49 0.06 5.21 0.00 0.13 -4.96 121.76 118.13 2jsn s ALA 18 Ca 0.22 -0.62 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 2jsn s ALA 18 Cb 0.06 0.94 0.05 0.00 0.00 0.00 0.00 23.12 24.16 2jsn s ALA 18 CO 0.03 -0.80 0.48 -1.83 0.00 0.00 0.00 175.76 173.64 2jsn s GLU 19 N -3.95 1.02 0.15 0.00 1.03 -1.26 -1.16 118.70 114.53 2jsn s GLU 19 Ca 0.16 -0.33 -0.24 0.00 0.03 0.00 0.00 54.97 54.59 2jsn s GLU 19 Cb -0.00 0.46 0.06 0.00 -0.80 0.00 0.00 34.13 33.86 2jsn s GLU 19 CO 0.03 -0.37 0.76 0.21 -1.33 0.00 0.00 175.26 174.55 2jsn s LYS 20 N -2.67 1.28 0.32 -4.83 2.20 -0.92 -5.02 119.74 110.10 2jsn s LYS 20 Ca -0.04 -0.59 -0.26 0.00 -0.36 0.00 0.00 55.97 54.72 2jsn s LYS 20 Cb -0.00 0.51 -0.10 0.00 -1.51 0.00 0.00 37.83 36.73 2jsn s LYS 20 CO -0.04 -0.57 0.94 0.95 -0.36 0.00 0.00 175.35 176.28 2jsn s THR 21 N -3.56 4.21 0.23 3.43 -4.23 -1.26 -1.79 115.64 112.67 2jsn s THR 21 Ca 0.06 1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 62.37 2jsn s THR 21 Cb -0.02 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.78 2jsn s THR 21 CO -0.05 0.14 0.21 -0.36 -0.54 0.00 0.00 174.62 174.02 2jsn s PHE 22 N -1.62 1.09 0.34 3.99 0.08 0.24 -4.97 117.98 117.11 2jsn s PHE 22 Ca 0.50 -1.30 -0.13 0.00 0.12 0.00 0.00 56.93 56.12 2jsn s PHE 22 Cb -0.18 -0.44 0.03 0.00 -0.57 0.00 0.00 43.02 41.86 2jsn s PHE 22 CO 0.24 -0.74 0.66 -1.12 -0.10 0.00 0.00 175.22 174.16 2jsn s SER 23 N -3.16 0.13 0.16 1.36 0.01 -1.26 -1.40 113.70 109.54 2jsn s SER 23 Ca 0.36 -1.08 0.09 0.00 1.31 0.00 0.00 55.95 56.63 2jsn s SER 23 Cb 0.05 0.75 -0.04 0.00 0.21 0.00 0.00 66.02 66.99 2jsn s SER 23 CO 0.13 -1.46 -0.20 -0.31 0.41 0.00 0.00 173.24 171.81 2jsn s TYR 24 N -3.04 1.93 0.16 2.43 2.02 -1.26 -4.21 117.35 115.38 2jsn s TYR 24 Ca 0.19 -0.43 -0.09 0.00 -0.37 0.00 0.00 57.07 56.37 2jsn s TYR 24 Cb -0.04 -0.98 0.03 0.00 -0.40 0.00 0.00 41.96 40.57 2jsn s TYR 24 CO 0.12 0.34 1.52 -1.00 -1.57 0.00 0.00 175.55 174.97 2jsn h PRO 25 N 3.41 0.89 0.00 -1.71 0.13 -2.00 -3.50 132.00 129.22 2jsn h PRO 25 Ca -0.44 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 2jsn h PRO 25 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jsn h PRO 25 CO 0.48 1.09 0.00 -0.11 -0.23 0.00 0.00 178.00 179.22 2jsn n LEU 26 N -4.07 0.00 0.00 1.56 7.94 -1.26 -2.96 117.00 118.21 2jsn n LEU 26 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 2jsn n LEU 26 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2jsn n LEU 26 CO 0.47 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 176.08 2jsn n ASP 27 N 0.22 0.00 -4.68 1.96 2.03 -1.26 -5.08 116.55 109.74 2jsn n ASP 27 Ca 0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.86 2jsn n ASP 27 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2jsn n ASP 27 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jsn n LEU 28 N -0.28 3.23 -3.69 -2.67 7.94 -1.15 -2.76 117.00 117.61 2jsn n LEU 28 Ca 0.00 1.10 -0.10 0.00 -1.11 0.00 0.00 56.01 55.90 2jsn n LEU 28 Cb 0.00 -1.45 -0.11 0.00 0.53 0.00 0.00 43.42 42.40 2jsn n LEU 28 CO 0.00 -0.30 0.03 -0.22 -1.11 0.00 0.00 177.39 175.80 2jsn s LEU 29 N 0.58 -0.12 0.20 -1.96 1.98 -0.21 -4.81 118.68 114.35 2jsn s LEU 29 Ca 0.74 0.87 0.11 0.00 -2.89 0.00 0.00 54.13 52.97 2jsn s LEU 29 Cb -0.65 1.29 -0.04 0.00 0.66 0.00 0.00 46.19 47.44 2jsn s LEU 29 CO 0.42 -0.20 -0.23 -0.76 -1.89 0.00 0.00 176.35 173.69 2jsn s LEU 30 N 1.54 2.46 0.12 -0.68 1.02 -1.26 -0.63 118.68 121.24 2jsn s LEU 30 Ca -0.08 -0.89 -0.09 0.00 0.02 0.00 0.00 54.13 53.09 2jsn s LEU 30 Cb -0.09 -1.16 -0.00 0.00 0.02 0.00 0.00 46.19 44.96 2jsn s LEU 30 CO -0.12 0.11 0.23 -1.59 0.02 0.00 0.00 176.35 175.00 2jsn s LYS 31 N -2.78 0.96 -0.21 1.70 0.00 -0.48 -4.90 119.74 114.04 2jsn s LYS 31 Ca 0.22 -1.02 -0.14 0.00 0.00 0.00 0.00 55.97 55.03 2jsn s LYS 31 Cb -0.08 0.36 -0.04 0.00 0.00 0.00 0.00 37.83 38.07 2jsn s LYS 31 CO 0.10 -0.33 0.32 -1.17 0.00 0.00 0.00 175.35 174.27 2jsn s LEU 32 N -2.89 4.15 -0.12 2.77 2.96 -1.26 -0.55 118.68 123.74 2jsn s LEU 32 Ca 0.09 0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 54.20 2jsn s LEU 32 Cb 0.04 -2.38 0.04 0.00 0.50 0.00 0.00 46.19 44.40 2jsn s LEU 32 CO -0.07 -0.02 0.46 -2.28 -1.32 0.00 0.00 176.35 173.11 2jsn s HIS 33 N 1.19 -0.45 -1.62 5.38 5.65 -0.29 -4.91 115.29 120.24 2jsn s HIS 33 Ca 0.15 0.98 -0.17 0.00 0.25 0.00 0.00 55.06 56.27 2jsn s HIS 33 Cb -0.14 0.19 0.14 0.00 -1.18 0.00 0.00 32.58 31.59 2jsn s HIS 33 CO 0.07 -0.34 0.78 -3.47 -0.65 0.00 0.00 174.74 171.12 2jsn n ASP 34 N 2.13 -3.59 0.00 9.88 2.03 -1.26 -1.30 116.55 124.44 2jsn n ASP 34 Ca -0.16 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.26 2jsn n ASP 34 Cb 0.57 -2.93 0.00 0.00 -0.72 0.00 0.00 41.12 38.04 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 -0.92 -4.38 -0.67 1.02 -1.26 -4.99 120.64 105.11 2jsn n GLU 35 Ca 0.07 0.23 -0.29 0.00 -0.02 0.00 0.00 57.16 57.14 2jsn n GLU 35 Cb 0.50 -4.31 -0.12 0.00 -0.02 0.00 0.00 31.44 27.49 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 -1.21 1.55 0.15 3.49 3.00 -0.42 -4.30 118.95 121.22 2jsn s ARG 36 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 55.73 54.15 2jsn s ARG 36 Cb 0.00 -1.98 -0.07 0.00 0.00 0.00 0.00 34.95 32.90 2jsn s ARG 36 CO 0.00 0.46 1.08 0.54 0.00 0.00 0.00 175.30 177.39 2jsn s VAL 37 N -1.08 4.00 0.09 3.52 0.11 -0.10 -1.14 120.40 125.81 2jsn s VAL 37 Ca 0.15 1.69 0.07 0.00 -2.93 0.00 0.00 61.98 60.96 2jsn s VAL 37 Cb -0.10 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.64 2jsn s VAL 37 CO 0.07 0.27 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.16 2jsn s LEU 38 N -0.18 2.28 0.31 2.54 1.43 0.29 -2.63 118.68 122.73 2jsn s LEU 38 Ca 0.50 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 2jsn s LEU 38 Cb -0.28 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.04 2jsn s LEU 38 CO 0.33 0.03 1.25 -0.69 0.23 0.00 0.00 176.35 177.51 2jsn s VAL 39 N -1.16 2.93 0.00 -1.59 1.01 -0.22 -1.38 120.40 119.99 2jsn s VAL 39 Ca 0.04 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2jsn s VAL 39 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2jsn s VAL 39 CO 0.04 0.22 0.00 0.00 0.00 0.00 0.00 175.10 175.35 2jsn n ALA 40 N 0.97 2.16 -2.16 5.51 0.00 0.20 -0.59 120.51 126.59 2jsn n ALA 40 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2jsn n ALA 40 Cb 0.43 0.48 -0.10 0.00 0.00 0.00 0.00 19.45 20.26 2jsn n ALA 40 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jsn s PHE 41 N -1.97 0.92 0.00 0.00 0.08 -0.54 -4.73 117.98 111.74 2jsn s PHE 41 Ca 0.00 -1.22 0.00 0.00 0.12 0.00 0.00 56.93 55.83 2jsn s PHE 41 Cb 0.00 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 2jsn s PHE 41 CO 0.00 -0.49 0.00 0.41 -0.10 0.00 0.00 175.22 175.04 2jsn n GLY 42 N -0.12 1.57 2.38 4.36 0.00 -1.11 -1.04 105.19 111.22 2jsn n GLY 42 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 1.16 0.05 1.61 1.13 -1.26 -4.71 117.38 115.35 2jsn n GLN 43 Ca 0.00 -3.00 0.03 0.00 -1.94 0.00 0.00 57.00 52.08 2jsn n GLN 43 Cb 0.00 -1.07 0.15 0.00 0.11 0.00 0.00 30.24 29.43 2jsn n GLN 43 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2jsn n ARG 44 N -0.23 0.04 0.22 -1.09 1.74 -1.26 -1.49 116.66 114.58 2jsn n ARG 44 Ca 0.07 0.50 0.18 0.00 -0.77 0.00 0.00 57.85 57.83 2jsn n ARG 44 Cb 0.92 -1.67 0.79 0.00 -1.02 0.00 0.00 32.46 31.48 2jsn n ARG 44 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2jsn h ASP 45 N 0.00 0.00 -1.82 0.55 3.58 -2.04 -3.44 116.42 113.25 2jsn h ASP 45 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2jsn h ASP 45 Cb 0.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2jsn h ASP 45 CO 0.00 0.00 -0.01 0.61 -2.88 0.00 0.00 179.24 176.96 2jsn n GLY 46 N -1.35 2.72 0.07 -0.78 0.00 -0.56 -5.04 105.19 100.25 2jsn n GLY 46 Ca 0.02 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.85 2jsn n GLY 46 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jsn n ILE 47 N -0.09 0.01 1.07 -0.61 -5.35 -1.26 -4.45 119.36 108.67 2jsn n ILE 47 Ca -0.00 -0.04 0.03 0.00 -0.27 0.00 0.00 62.75 62.47 2jsn n ILE 47 Cb 0.10 -0.32 0.18 0.00 -1.74 0.00 0.00 39.64 37.85 2jsn n ILE 47 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2jsn n ARG 48 N -0.79 0.54 -1.16 6.28 1.85 -1.26 -4.76 116.66 117.36 2jsn n ARG 48 Ca 0.21 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.77 2jsn n ARG 48 Cb 0.13 -1.17 0.17 0.00 -1.05 0.00 0.00 32.46 30.54 2jsn n ARG 48 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2jsn s VAL 49 N -2.00 2.22 0.00 8.89 -7.23 -1.26 -4.13 120.40 116.89 2jsn s VAL 49 Ca 0.09 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 2jsn s VAL 49 Cb 0.04 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.44 2jsn s VAL 49 CO 0.07 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 2jsn n GLY 50 N -1.03 0.83 3.81 2.32 0.00 0.24 -5.00 105.19 106.35 2jsn n GLY 50 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.27 3.10 0.29 1.61 4.02 -1.26 -4.74 115.29 115.04 2jsn s HIS 51 Ca 0.00 1.50 -0.18 0.00 1.02 0.00 0.00 55.06 57.39 2jsn s HIS 51 Cb 0.00 -2.95 -0.09 0.00 -1.02 0.00 0.00 32.58 28.52 2jsn s HIS 51 CO 0.00 -0.95 0.76 0.00 1.02 0.00 0.00 174.74 175.57 2jsn s ALA 52 N -2.52 3.33 0.38 -1.40 0.00 -0.35 -1.06 121.76 120.14 2jsn s ALA 52 Ca 0.62 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 2jsn s ALA 52 Cb -0.15 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 2jsn s ALA 52 CO 0.37 0.30 1.08 0.08 0.00 0.00 0.00 175.76 177.58 2jsn s VAL 53 N -1.76 3.58 -0.10 0.00 1.01 -1.08 -0.73 120.40 121.33 2jsn s VAL 53 Ca 0.49 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.83 2jsn s VAL 53 Cb -0.14 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.43 2jsn s VAL 53 CO 0.19 0.09 -0.01 0.18 0.00 0.00 0.00 175.10 175.55 2jsn n LEU 54 N 0.19 1.01 -3.61 3.92 7.99 0.63 -4.86 117.00 122.26 2jsn n LEU 54 Ca 0.04 -0.02 -0.11 0.00 -0.01 0.00 0.00 56.01 55.91 2jsn n LEU 54 Cb 0.48 0.01 -0.04 0.00 -0.11 0.00 0.00 43.42 43.76 2jsn n LEU 54 CO 0.48 0.38 0.19 0.00 -1.51 0.00 0.00 177.39 176.93 2jsn s ALA 55 N -2.22 -1.01 -0.02 -1.18 0.00 -0.65 -1.14 121.76 115.55 2jsn s ALA 55 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2jsn s ALA 55 Cb 0.03 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.88 2jsn s ALA 55 CO 0.33 -0.67 -0.04 0.42 0.00 0.00 0.00 175.76 175.81 2jsn s ILE 56 N -3.80 0.39 -0.87 0.00 1.01 -0.13 -0.79 121.20 117.00 2jsn s ILE 56 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 2jsn s ILE 56 Cb 0.01 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2jsn s ILE 56 CO -0.12 0.14 0.03 0.59 0.00 0.00 0.00 174.94 175.59 2jsn n ASN 57 N 3.42 -3.34 0.00 3.58 3.02 0.41 -0.63 115.26 121.72 2jsn n ASN 57 Ca -0.19 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jsn n ASN 57 Cb 0.55 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.86 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 -0.77 2.57 3.64 7.41 0.00 -1.26 -5.01 105.19 111.77 2jsn n GLY 58 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.09 4.14 0.36 1.61 -1.94 0.19 -5.03 119.30 118.54 2jsn s MET 59 Ca 0.00 0.93 -0.25 0.00 -1.71 0.00 0.00 55.69 54.66 2jsn s MET 59 Cb 0.00 -3.67 -0.13 0.00 2.01 0.00 0.00 34.83 33.04 2jsn s MET 59 CO 0.00 -0.60 0.84 -3.47 -0.01 0.00 0.00 175.02 171.78 2jsn n ASP 60 N 6.16 0.46 -4.61 3.03 2.03 -1.26 -0.96 116.55 121.40 2jsn n ASP 60 Ca 0.06 1.05 -0.30 0.00 0.52 0.00 0.00 54.79 56.13 2jsn n ASP 60 Cb 0.47 -1.23 -0.09 0.00 -0.72 0.00 0.00 41.12 39.55 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 -1.24 3.62 -0.31 5.18 -7.23 -0.29 -0.83 120.40 119.29 2jsn s VAL 61 Ca 0.62 -1.11 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2jsn s VAL 61 Cb -0.64 -2.68 0.09 0.00 0.56 0.00 0.00 36.38 33.70 2jsn s VAL 61 CO 0.58 0.16 0.05 0.21 -0.31 0.00 0.00 175.10 175.79 2jsn s ASN 62 N -2.12 4.36 0.00 4.85 2.47 0.41 -4.84 114.94 120.06 2jsn s ASN 62 Ca 0.22 -1.81 0.00 0.00 0.42 0.00 0.00 52.86 51.69 2jsn s ASN 62 Cb -0.11 -1.28 0.00 0.00 -1.45 0.00 0.00 41.25 38.40 2jsn s ASN 62 CO 0.14 -0.37 0.00 0.61 -3.72 0.00 0.00 177.10 173.76 2jsn n GLY 63 N 4.53 1.17 0.92 1.21 0.00 -1.26 -1.41 105.19 110.35 2jsn n GLY 63 Ca -0.01 0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -4.57 1.61 0.00 -1.26 -0.92 116.66 111.52 2jsn n ARG 64 Ca 0.00 -1.08 -0.23 0.00 -0.00 0.00 0.00 57.85 56.54 2jsn n ARG 64 Cb 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 32.46 32.33 2jsn n ARG 64 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2jsn s TYR 65 N 0.00 1.45 1.07 2.89 2.02 -0.50 -1.36 117.35 122.92 2jsn s TYR 65 Ca 0.10 -0.33 -0.15 0.00 -0.37 0.00 0.00 57.07 56.32 2jsn s TYR 65 Cb 0.11 -0.89 0.22 0.00 -0.40 0.00 0.00 41.96 41.01 2jsn s TYR 65 CO -0.05 0.03 1.10 0.95 -1.57 0.00 0.00 175.55 176.01 2jsn s THR 66 N -0.67 1.88 0.31 -0.71 -4.23 -0.02 -0.45 115.64 111.76 2jsn s THR 66 Ca 0.05 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.60 2jsn s THR 66 Cb -0.07 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.56 2jsn s THR 66 CO 0.01 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.95 2jsn h ALA 67 N -2.12 1.64 -0.23 3.99 0.00 -1.27 -1.83 119.26 119.44 2jsn h ALA 67 Ca -0.52 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 2jsn h ALA 67 Cb 1.32 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jsn h ALA 67 CO 0.50 0.13 -0.57 0.22 0.00 0.00 0.00 179.25 179.53 2jsn h ASP 68 N 0.88 0.80 0.00 0.00 3.58 -1.92 -3.48 116.42 116.28 2jsn h ASP 68 Ca 0.46 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2jsn h ASP 68 Cb 0.53 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2jsn h ASP 68 CO -0.22 1.20 0.00 0.61 -2.88 0.00 0.00 179.24 177.95 2jsn n GLY 69 N 0.35 0.54 3.74 -0.78 0.00 -0.69 -5.12 105.19 103.23 2jsn n GLY 69 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 4.22 -0.02 1.61 -0.14 -1.26 -4.55 119.74 119.61 2jsn s LYS 70 Ca 0.00 2.38 -0.30 0.00 -1.36 0.00 0.00 55.97 56.69 2jsn s LYS 70 Cb 0.00 -3.10 -0.07 0.00 -1.68 0.00 0.00 37.83 32.98 2jsn s LYS 70 CO 0.00 -0.52 1.72 -2.00 -0.76 0.00 0.00 175.35 173.79 2jsn s GLU 71 N 0.02 4.18 0.25 1.68 -6.30 -1.26 -0.84 118.70 116.44 2jsn s GLU 71 Ca 0.63 2.30 -0.05 0.00 -2.50 0.00 0.00 54.97 55.35 2jsn s GLU 71 Cb -0.44 -3.96 0.31 0.00 0.00 0.00 0.00 34.13 30.04 2jsn s GLU 71 CO 0.41 -0.85 1.91 -0.39 0.02 0.00 0.00 175.26 176.36 2jsn h VAL 72 N 5.47 1.19 -0.23 3.70 -1.51 -1.57 -0.55 116.25 122.75 2jsn h VAL 72 Ca -0.42 -0.44 -0.19 0.00 -1.23 0.00 0.00 66.70 64.42 2jsn h VAL 72 Cb 1.19 -0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 2jsn h VAL 72 CO 0.95 0.23 -0.61 -0.07 -1.23 0.00 0.00 177.57 176.84 2jsn h LEU 73 N 1.27 0.93 -0.42 4.19 3.38 -1.91 0.22 115.31 122.98 2jsn h LEU 73 Ca 0.39 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2jsn h LEU 73 Cb -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2jsn h LEU 73 CO -0.12 1.33 0.16 -0.08 0.09 0.00 0.00 178.44 179.83 2jsn h GLU 74 N 0.57 0.62 -0.60 1.13 4.57 -1.93 0.16 114.58 119.10 2jsn h GLU 74 Ca -0.01 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 2jsn h GLU 74 Cb 1.23 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.68 2jsn h GLU 74 CO 0.13 0.58 0.36 -0.92 -1.18 0.00 0.00 179.01 177.99 2jsn h TYR 75 N 0.53 0.67 -0.24 0.92 3.20 -0.87 -1.08 116.97 120.11 2jsn h TYR 75 Ca 0.14 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.86 2jsn h TYR 75 Cb 0.20 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2jsn h TYR 75 CO 0.00 0.38 -0.53 -0.07 -1.64 0.00 0.00 178.16 176.30 2jsn h LEU 76 N 0.71 0.78 -1.11 2.82 3.38 -0.89 -3.27 115.31 117.72 2jsn h LEU 76 Ca 0.24 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2jsn h LEU 76 Cb 0.04 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jsn h LEU 76 CO -0.11 1.16 -0.41 1.23 0.09 0.00 0.00 178.44 180.40 2jsn h GLY 77 N 0.91 0.07 -6.33 0.83 0.00 -0.32 -3.40 103.07 94.82 2jsn h GLY 77 Ca 0.02 -0.06 -0.59 0.00 0.00 0.00 0.00 47.33 46.70 2jsn h GLY 77 CO 0.11 0.06 1.35 -2.01 0.00 0.00 0.00 176.54 176.04 2jsn n ASN 78 N -4.04 3.40 0.10 0.19 5.15 -0.47 -4.88 115.26 114.72 2jsn n ASN 78 Ca -0.02 0.55 0.11 0.00 -0.60 0.00 0.00 54.58 54.62 2jsn n ASN 78 Cb 0.45 -1.48 0.46 0.00 -0.53 0.00 0.00 39.78 38.68 2jsn n ASN 78 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2jsn n PRO 79 N 8.01 0.16 0.17 1.20 -0.04 -1.26 -0.99 135.00 142.25 2jsn n PRO 79 Ca 0.27 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 2jsn n PRO 79 Cb 0.38 -1.79 0.60 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 2.34 1.00 -0.23 0.55 0.00 -1.95 -2.40 119.26 118.57 2jsn h ALA 80 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2jsn h ALA 80 Cb 0.37 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.85 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 -2.33 1.92 0.11 0.00 5.15 -0.16 -4.86 115.26 115.08 2jsn n ASN 81 Ca -0.00 -2.69 -0.13 0.00 -0.60 0.00 0.00 54.58 51.15 2jsn n ASN 81 Cb 0.10 -0.40 -0.08 0.00 -0.53 0.00 0.00 39.78 38.87 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 1.61 -0.24 -2.94 1.20 -1.99 -1.21 -3.43 116.97 109.98 2jsn h TYR 82 Ca -0.06 -0.01 -0.54 0.00 2.00 0.00 0.00 58.73 60.12 2jsn h TYR 82 Cb 1.48 0.08 -0.00 0.00 2.00 0.00 0.00 36.73 40.29 2jsn h TYR 82 CO 0.49 0.04 0.81 -1.25 -0.00 0.00 0.00 178.16 178.25 2jsn s PRO 83 N -5.12 4.30 0.25 4.88 0.04 -1.26 -4.20 135.00 133.88 2jsn s PRO 83 Ca -0.15 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 2jsn s PRO 83 Cb 0.03 -3.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 2jsn s PRO 83 CO 0.61 -0.55 0.38 0.14 0.04 0.00 0.00 177.00 177.63 2jsn s VAL 84 N 2.31 0.00 -0.02 -0.36 -7.23 -0.49 -5.00 120.40 109.61 2jsn s VAL 84 Ca 0.63 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 59.25 2jsn s VAL 84 Cb -0.31 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2jsn s VAL 84 CO 0.26 0.00 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.43 2jsn s SER 85 N -3.08 2.20 -0.00 4.85 0.01 -1.26 -0.60 113.70 115.81 2jsn s SER 85 Ca 0.28 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.21 2jsn s SER 85 Cb 0.01 -0.34 -0.00 0.00 0.21 0.00 0.00 66.02 65.91 2jsn s SER 85 CO 0.11 0.21 -0.04 -0.63 0.41 0.00 0.00 173.24 173.30 2jsn s ILE 86 N -0.33 0.36 -0.09 1.44 1.01 -0.74 -0.45 121.20 122.41 2jsn s ILE 86 Ca 0.05 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2jsn s ILE 86 Cb -0.08 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2jsn s ILE 86 CO 0.00 0.10 -0.19 -0.13 0.00 0.00 0.00 174.94 174.72 2jsn s ARG 87 N -0.06 2.96 0.17 2.79 0.52 0.03 -2.17 118.95 123.19 2jsn s ARG 87 Ca 0.01 -0.80 -0.05 0.00 -0.52 0.00 0.00 55.73 54.38 2jsn s ARG 87 Cb -0.02 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 2jsn s ARG 87 CO -0.00 0.30 0.20 -0.59 0.02 0.00 0.00 175.30 175.23 2jsn s PHE 88 N 0.07 0.73 -2.37 -0.53 -0.12 -0.31 -0.27 117.98 115.19 2jsn s PHE 88 Ca -0.08 -1.06 0.00 0.00 -0.05 0.00 0.00 56.93 55.73 2jsn s PHE 88 Cb -0.15 -0.29 0.00 0.00 -0.63 0.00 0.00 43.02 41.95 2jsn s PHE 88 CO 0.05 -0.67 0.00 0.41 -0.05 0.00 0.00 175.22 174.97 2jsn n GLY 89 N -0.21 -0.98 3.75 1.99 0.00 0.10 -0.69 105.19 109.15 2jsn n GLY 89 Ca -0.04 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 2.23 -0.31 1.61 5.12 -0.40 -1.21 116.66 123.70 2jsn n ARG 90 Ca 0.00 0.79 0.15 0.00 -1.93 0.00 0.00 57.85 56.86 2jsn n ARG 90 Cb 0.00 -2.58 0.33 0.00 -1.16 0.00 0.00 32.46 29.04 2jsn n ARG 90 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2jsn h PRO 91 N 2.32 0.39 -3.70 5.56 0.11 -1.87 -3.43 132.00 131.38 2jsn h PRO 91 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 2jsn h PRO 91 Cb 1.27 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.18 2jsn h PRO 91 CO 0.61 0.26 -0.20 0.50 -0.21 0.00 0.00 178.00 178.96 2jsn s ARG 92 N -5.86 1.28 0.51 1.05 3.52 -1.26 -5.03 118.95 113.15 2jsn s ARG 92 Ca -0.11 -1.11 0.16 0.00 -0.13 0.00 0.00 55.73 54.54 2jsn s ARG 92 Cb 0.26 0.43 1.23 0.00 -1.56 0.00 0.00 34.95 35.31 2jsn s ARG 92 CO 0.78 -0.50 2.12 1.25 -0.81 0.00 0.00 175.30 178.14 2jsn h LEU 93 N 2.41 0.06 -1.56 -0.88 5.85 -1.97 -1.08 115.31 118.13 2jsn h LEU 93 Ca -0.30 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2jsn h LEU 93 Cb 1.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2jsn h LEU 93 CO 0.43 0.04 0.00 0.71 -0.34 0.00 0.00 178.44 179.29 2jsn h THR 94 N 0.07 0.00 0.00 1.05 1.35 -1.97 -3.29 112.91 110.12 2jsn h THR 94 Ca 0.05 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2jsn h THR 94 Cb 0.13 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 2jsn h THR 94 CO -0.01 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.06 2jsn n SER 95 N -2.94 4.26 0.00 5.36 7.64 -0.41 -5.15 113.62 122.38 2jsn n SER 95 Ca 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 58.87 57.72 2jsn n SER 95 Cb 0.25 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2jsn n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83