#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsg n PRO 5 N 0.00 -0.20 -1.94 0.00 -0.02 -1.26 -4.93 135.00 126.66 1jsg n PRO 5 Ca 0.00 -0.26 -0.43 0.00 -2.02 0.00 0.00 63.50 60.80 1jsg n PRO 5 Cb 0.00 -0.17 -0.03 0.00 -0.02 0.00 0.00 33.50 33.28 1jsg n PRO 5 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1jsg s THR 6 N -1.36 3.44 -0.36 3.45 -1.32 -1.26 -4.95 115.64 113.27 1jsg s THR 6 Ca 0.09 0.49 0.03 0.00 -1.21 0.00 0.00 61.69 61.10 1jsg s THR 6 Cb -0.00 -3.46 0.11 0.00 -1.51 0.00 0.00 72.50 67.64 1jsg s THR 6 CO 0.07 -0.20 0.09 -0.76 -2.21 0.00 0.00 174.62 171.61 1jsg s LEU 7 N 5.76 4.22 0.00 9.08 1.02 -1.26 -5.10 118.68 132.40 1jsg s LEU 7 Ca 0.80 -2.21 0.00 0.00 0.02 0.00 0.00 54.13 52.74 1jsg s LEU 7 Cb -0.29 -1.48 0.00 0.00 0.02 0.00 0.00 46.19 44.43 1jsg s LEU 7 CO 0.33 -0.36 0.00 0.61 0.02 0.00 0.00 176.35 176.94 1jsg n GLY 8 N 4.16 4.15 3.41 -3.19 0.00 -1.26 -4.34 105.19 108.13 1jsg n GLY 8 Ca 0.03 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 1jsg n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jsg s GLU 9 N -1.51 0.99 0.52 1.61 -1.05 -0.66 -4.98 118.70 113.62 1jsg s GLU 9 Ca 0.00 -0.06 -0.20 0.00 -0.15 0.00 0.00 54.97 54.56 1jsg s GLU 9 Cb 0.00 0.46 -0.07 0.00 -0.44 0.00 0.00 34.13 34.08 1jsg s GLU 9 CO 0.00 -0.33 1.10 0.00 0.95 0.00 0.00 175.26 176.98 1jsg s ALA 10 N -1.86 2.76 -0.08 -0.84 0.00 -1.26 -1.12 121.76 119.36 1jsg s ALA 10 Ca -0.08 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1jsg s ALA 10 Cb -0.01 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1jsg s ALA 10 CO 0.03 -0.61 -0.22 0.08 0.00 0.00 0.00 175.76 175.04 1jsg s VAL 11 N -1.84 2.30 -1.63 0.00 1.01 -0.26 -4.84 120.40 115.15 1jsg s VAL 11 Ca 0.71 -0.96 0.20 0.00 0.00 0.00 0.00 61.98 61.93 1jsg s VAL 11 Cb -0.21 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1jsg s VAL 11 CO 0.24 0.56 0.95 0.35 0.00 0.00 0.00 175.10 177.21 1jsg n THR 12 N 3.13 0.00 -3.39 3.92 -2.24 -1.26 -4.72 114.28 109.73 1jsg n THR 12 Ca -0.18 -0.24 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 1jsg n THR 12 Cb 0.52 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.88 1jsg n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jsg s ASP 13 N -2.35 6.04 0.08 3.42 2.15 -1.26 -5.06 116.67 119.69 1jsg s ASP 13 Ca 0.14 -1.86 -0.08 0.00 0.43 0.00 0.00 52.55 51.19 1jsg s ASP 13 Cb 0.16 -2.15 -0.06 0.00 -0.30 0.00 0.00 42.92 40.58 1jsg s ASP 13 CO 0.56 -0.80 0.37 -1.00 -0.17 0.00 0.00 175.17 174.13 1jsg s HIS 14 N 1.48 3.56 0.53 -5.34 3.76 -1.26 -5.05 115.29 112.96 1jsg s HIS 14 Ca 0.04 0.70 -0.22 0.00 -0.15 0.00 0.00 55.06 55.43 1jsg s HIS 14 Cb -0.28 -2.09 -0.05 0.00 1.11 0.00 0.00 32.58 31.26 1jsg s HIS 14 CO 0.02 0.51 1.39 -2.14 -0.85 0.00 0.00 174.74 173.67 1jsg s PRO 15 N -2.06 3.23 0.10 8.40 0.02 -1.26 -4.91 135.00 138.52 1jsg s PRO 15 Ca 0.34 2.30 0.23 0.00 0.02 0.00 0.00 61.00 63.89 1jsg s PRO 15 Cb -0.13 -2.34 0.08 0.00 0.02 0.00 0.00 34.50 32.13 1jsg s PRO 15 CO 0.19 -1.14 1.07 -3.47 -0.33 0.00 0.00 177.00 173.32 1jsg n ASP 16 N -0.87 0.65 -3.70 2.53 2.03 -1.26 -4.69 116.55 111.24 1jsg n ASP 16 Ca 0.09 0.01 -0.12 0.00 0.52 0.00 0.00 54.79 55.29 1jsg n ASP 16 Cb 0.44 0.63 -0.10 0.00 -0.72 0.00 0.00 41.12 41.38 1jsg n ASP 16 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1jsg s ARG 17 N -3.25 0.53 -0.14 -0.67 3.00 -1.26 -1.13 118.95 116.03 1jsg s ARG 17 Ca 0.03 0.73 0.00 0.00 0.00 0.00 0.00 55.73 56.49 1jsg s ARG 17 Cb 0.13 0.20 0.02 0.00 0.00 0.00 0.00 34.95 35.30 1jsg s ARG 17 CO 0.79 -0.09 -0.13 -0.51 0.00 0.00 0.00 175.30 175.36 1jsg s LEU 18 N 0.58 1.58 -0.14 2.53 2.01 -0.63 -3.41 118.68 121.20 1jsg s LEU 18 Ca -0.03 -0.44 -0.04 0.00 0.01 0.00 0.00 54.13 53.63 1jsg s LEU 18 Cb -0.05 -1.10 -0.03 0.00 0.01 0.00 0.00 46.19 45.02 1jsg s LEU 18 CO -0.03 -0.06 -0.02 0.26 1.01 0.00 0.00 176.35 177.50 1jsg s TRP 19 N 1.50 3.08 -0.06 0.29 0.51 0.30 -1.35 118.94 123.21 1jsg s TRP 19 Ca 0.04 -0.13 -0.30 0.00 -2.12 0.00 0.00 56.10 53.60 1jsg s TRP 19 Cb -0.13 -1.93 -0.05 0.00 -0.81 0.00 0.00 33.47 30.55 1jsg s TRP 19 CO -0.10 0.11 1.55 0.00 -0.51 0.00 0.00 176.95 178.00 1jsg s ALA 20 N 0.05 3.63 -0.19 0.98 0.00 -0.15 -1.35 121.76 124.74 1jsg s ALA 20 Ca 0.01 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.83 1jsg s ALA 20 Cb -0.13 -3.70 -0.22 0.00 0.00 0.00 0.00 23.12 19.07 1jsg s ALA 20 CO 0.02 -1.28 0.08 1.87 0.00 0.00 0.00 175.76 176.46 1jsg n TRP 21 N 6.72 0.55 -4.11 0.00 -0.00 0.99 -4.77 117.44 116.82 1jsg n TRP 21 Ca 0.16 0.13 -0.07 0.00 -0.00 0.00 0.00 57.50 57.71 1jsg n TRP 21 Cb 0.43 -1.08 -0.03 0.00 -0.00 0.00 0.00 31.31 30.64 1jsg n TRP 21 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1jsg n GLU 22 N -3.29 0.27 -0.23 5.87 1.02 -0.96 -1.34 120.64 121.98 1jsg n GLU 22 Ca -0.38 -1.16 -0.07 0.00 -0.02 0.00 0.00 57.16 55.54 1jsg n GLU 22 Cb 1.03 0.88 0.04 0.00 -0.02 0.00 0.00 31.44 33.37 1jsg n GLU 22 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1jsg h LYS 23 N 0.00 0.91 -0.56 3.49 1.79 -1.95 -3.28 116.57 116.96 1jsg h LYS 23 Ca -0.09 -0.12 -0.41 0.00 -2.18 0.00 0.00 60.65 57.85 1jsg h LYS 23 Cb 0.41 -0.17 -0.34 0.00 -1.58 0.00 0.00 32.23 30.55 1jsg h LYS 23 CO 0.13 0.71 -0.79 1.19 -1.08 0.00 0.00 179.45 179.61 1jsg n PHE 24 N -4.51 2.04 -3.71 -1.35 3.72 -1.26 -4.99 117.46 107.40 1jsg n PHE 24 Ca 0.05 -2.04 -0.13 0.00 -0.05 0.00 0.00 57.45 55.28 1jsg n PHE 24 Cb 0.11 -0.31 -0.13 0.00 -0.94 0.00 0.00 39.48 38.21 1jsg n PHE 24 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1jsg s VAL 25 N -4.18 -0.12 0.16 -4.37 1.01 -1.24 -4.15 120.40 107.51 1jsg s VAL 25 Ca 0.46 0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.73 1jsg s VAL 25 Cb 0.39 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 36.34 1jsg s VAL 25 CO 0.01 0.07 -0.24 -0.31 0.00 0.00 0.00 175.10 174.63 1jsg s TYR 26 N 1.51 2.35 0.01 5.22 1.51 -0.60 -0.00 117.35 127.35 1jsg s TYR 26 Ca -0.07 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.69 1jsg s TYR 26 Cb -0.11 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1jsg s TYR 26 CO -0.09 0.42 -0.15 -0.51 -1.11 0.00 0.00 175.55 174.12 1jsg s LEU 27 N -2.37 2.09 0.00 -1.29 1.02 -0.46 -0.06 118.68 117.62 1jsg s LEU 27 Ca 0.18 -0.35 0.04 0.00 0.02 0.00 0.00 54.13 54.03 1jsg s LEU 27 Cb -0.09 -0.71 0.04 0.00 0.02 0.00 0.00 46.19 45.45 1jsg s LEU 27 CO 0.09 0.13 0.36 -0.90 0.02 0.00 0.00 176.35 176.04 1jsg n ASP 28 N 2.38 1.12 0.23 2.29 5.68 -0.44 -0.54 116.55 127.27 1jsg n ASP 28 Ca -0.16 -1.76 0.16 0.00 -0.50 0.00 0.00 54.79 52.54 1jsg n ASP 28 Cb 0.55 -0.18 0.79 0.00 -1.14 0.00 0.00 41.12 41.14 1jsg n ASP 28 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jsg h GLU 29 N 0.00 0.00 -0.53 0.11 3.07 -1.90 -1.56 114.58 113.77 1jsg h GLU 29 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 1jsg h GLU 29 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1jsg h GLU 29 CO 0.19 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.43 1jsg n LYS 30 N -2.67 2.35 -2.70 2.33 5.02 -1.26 -4.91 118.16 116.32 1jsg n LYS 30 Ca -0.01 -2.09 -0.17 0.00 -2.02 0.00 0.00 58.31 54.02 1jsg n LYS 30 Cb 0.14 -1.47 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 1jsg n LYS 30 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1jsg n GLN 31 N 1.22 -3.13 -3.61 1.97 7.27 -0.59 -5.00 117.38 115.51 1jsg n GLN 31 Ca 0.20 0.72 -0.36 0.00 0.07 0.00 0.00 57.00 57.62 1jsg n GLN 31 Cb 0.51 -5.12 -0.07 0.00 2.41 0.00 0.00 30.24 27.97 1jsg n GLN 31 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1jsg s HIS 32 N -2.97 3.51 0.01 3.69 3.76 -1.26 -4.86 115.29 117.16 1jsg s HIS 32 Ca 0.17 0.60 -0.22 0.00 -0.15 0.00 0.00 55.06 55.47 1jsg s HIS 32 Cb -0.08 -2.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.31 1jsg s HIS 32 CO 0.21 0.37 0.64 0.00 -0.85 0.00 0.00 174.74 175.11 1jsg s ALA 33 N 0.05 3.45 -0.12 -1.40 0.00 -1.26 -1.33 121.76 121.15 1jsg s ALA 33 Ca 0.16 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1jsg s ALA 33 Cb -0.13 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.19 1jsg s ALA 33 CO 0.04 0.13 -0.20 -1.58 0.00 0.00 0.00 175.76 174.15 1jsg s TRP 34 N -0.13 2.43 -0.26 0.00 0.52 0.92 -2.03 118.94 120.39 1jsg s TRP 34 Ca 0.33 -1.15 -0.07 0.00 0.02 0.00 0.00 56.10 55.23 1jsg s TRP 34 Cb -0.19 -1.67 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1jsg s TRP 34 CO 0.18 -0.53 0.06 -0.51 0.02 0.00 0.00 176.95 176.18 1jsg s LEU 35 N 0.75 3.49 -0.23 2.99 1.43 0.17 -1.55 118.68 125.73 1jsg s LEU 35 Ca -0.10 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1jsg s LEU 35 Cb -0.16 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1jsg s LEU 35 CO 0.01 -0.07 1.52 -2.16 0.23 0.00 0.00 176.35 175.88 1jsg s PRO 36 N 1.58 3.87 -0.22 1.29 0.04 -1.26 -1.09 135.00 139.21 1jsg s PRO 36 Ca 0.06 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.74 1jsg s PRO 36 Cb -0.15 -3.98 -0.20 0.00 0.04 0.00 0.00 34.50 30.20 1jsg s PRO 36 CO 0.03 -1.20 -0.04 1.28 0.04 0.00 0.00 177.00 177.11 1jsg n LEU 37 N 8.08 2.08 -4.00 -3.56 4.77 0.55 -4.99 117.00 119.94 1jsg n LEU 37 Ca 0.17 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.97 1jsg n LEU 37 Cb 0.45 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 1jsg n LEU 37 CO 0.64 0.79 -0.41 -0.89 -1.33 0.00 0.00 177.39 176.19 1jsg s THR 38 N -2.52 0.49 -0.11 -5.08 2.01 -1.23 -5.01 115.64 104.19 1jsg s THR 38 Ca -0.26 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1jsg s THR 38 Cb 0.08 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.15 1jsg s THR 38 CO 0.69 -0.01 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.85 1jsg s ILE 39 N -0.47 1.42 -0.10 1.82 1.01 -1.26 -1.34 121.20 122.28 1jsg s ILE 39 Ca -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1jsg s ILE 39 Cb -0.04 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 1jsg s ILE 39 CO -0.00 0.43 -0.17 -0.70 0.00 0.00 0.00 174.94 174.50 1jsg s GLU 40 N 1.17 3.03 -0.34 2.79 2.12 0.42 -4.96 118.70 122.93 1jsg s GLU 40 Ca -0.03 -0.75 -0.09 0.00 0.36 0.00 0.00 54.97 54.46 1jsg s GLU 40 Cb -0.14 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.81 1jsg s GLU 40 CO -0.04 0.32 0.15 0.42 -0.54 0.00 0.00 175.26 175.57 1jsg s ILE 41 N 0.05 4.26 -0.22 -3.70 1.01 -1.26 -1.47 121.20 119.86 1jsg s ILE 41 Ca -0.06 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 1jsg s ILE 41 Cb -0.15 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1jsg s ILE 41 CO 0.05 -0.12 0.15 -0.75 0.00 0.00 0.00 174.94 174.27 1jsg s LYS 42 N 1.51 4.14 -1.50 2.79 2.20 0.03 -4.42 119.74 124.49 1jsg s LYS 42 Ca 0.02 -0.23 -0.13 0.00 -0.36 0.00 0.00 55.97 55.27 1jsg s LYS 42 Cb -0.19 -3.48 0.09 0.00 -1.51 0.00 0.00 37.83 32.75 1jsg s LYS 42 CO 0.05 0.18 0.79 -0.25 -0.36 0.00 0.00 175.35 175.76 1jsg n ASP 43 N 3.90 -4.34 -1.52 1.43 8.00 -1.26 -1.23 116.55 121.53 1jsg n ASP 43 Ca -0.15 -0.68 -0.03 0.00 0.71 0.00 0.00 54.79 54.63 1jsg n ASP 43 Cb 0.52 -3.51 -0.01 0.00 -0.02 0.00 0.00 41.12 38.10 1jsg n ASP 43 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jsg n ARG 44 N -4.32 -1.60 0.06 -1.24 1.85 -1.26 -4.52 116.66 105.62 1jsg n ARG 44 Ca 0.03 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 1jsg n ARG 44 Cb 0.53 -4.38 0.00 0.00 -1.05 0.00 0.00 32.46 27.56 1jsg n ARG 44 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1jsg n LEU 45 N -1.63 0.08 -4.70 2.89 -0.00 -0.58 -5.09 117.00 107.98 1jsg n LEU 45 Ca -0.03 0.19 -0.42 0.00 -0.00 0.00 0.00 56.01 55.74 1jsg n LEU 45 Cb 0.23 0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 43.73 1jsg n LEU 45 CO 0.05 -0.56 0.81 -1.58 -0.00 0.00 0.00 177.39 176.11 1jsg s GLN 46 N -2.00 4.45 -0.08 1.47 0.74 -0.36 -4.90 119.66 118.97 1jsg s GLN 46 Ca 0.00 1.51 -0.08 0.00 0.05 0.00 0.00 55.36 56.84 1jsg s GLN 46 Cb 0.00 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1jsg s GLN 46 CO 0.00 -0.26 0.20 -0.51 -0.55 0.00 0.00 175.29 174.17 1jsg s LEU 47 N 1.65 4.40 -0.16 3.68 1.02 -1.26 -0.79 118.68 127.22 1jsg s LEU 47 Ca 0.52 0.55 -0.01 0.00 0.02 0.00 0.00 54.13 55.22 1jsg s LEU 47 Cb -0.22 -2.24 0.05 0.00 0.02 0.00 0.00 46.19 43.80 1jsg s LEU 47 CO 0.23 0.37 -0.02 -0.13 0.02 0.00 0.00 176.35 176.83 1jsg s ARG 48 N -1.15 1.07 -0.11 1.70 0.52 -0.54 -0.62 118.95 119.82 1jsg s ARG 48 Ca 0.18 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 55.01 1jsg s ARG 48 Cb -0.13 -1.88 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 1jsg s ARG 48 CO 0.07 -0.48 -0.16 0.54 0.02 0.00 0.00 175.30 175.30 1jsg s VAL 49 N 1.75 2.85 -0.27 3.52 0.11 -0.23 -0.43 120.40 127.69 1jsg s VAL 49 Ca 0.01 -0.75 -0.10 0.00 -2.93 0.00 0.00 61.98 58.20 1jsg s VAL 49 Cb -0.15 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 1jsg s VAL 49 CO -0.07 0.54 0.17 -0.22 -3.33 0.00 0.00 175.10 172.19 1jsg s LEU 50 N 0.13 3.95 -0.09 2.54 2.96 -0.45 -1.80 118.68 125.93 1jsg s LEU 50 Ca -0.08 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1jsg s LEU 50 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1jsg s LEU 50 CO 0.05 -0.04 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.20 1jsg s LEU 51 N 1.67 3.05 -0.03 -0.68 1.43 -0.26 -0.33 118.68 123.53 1jsg s LEU 51 Ca 0.07 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1jsg s LEU 51 Cb -0.16 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1jsg s LEU 51 CO 0.09 0.31 -0.16 -0.60 0.23 0.00 0.00 176.35 176.22 1jsg s ARG 52 N -0.47 1.52 0.14 1.70 3.52 -0.25 -1.07 118.95 124.04 1jsg s ARG 52 Ca 0.07 -0.57 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 1jsg s ARG 52 Cb -0.12 -1.38 -0.08 0.00 -1.56 0.00 0.00 34.95 31.81 1jsg s ARG 52 CO 0.02 0.27 1.28 1.03 -0.81 0.00 0.00 175.30 177.09 1jsg s ARG 53 N -0.10 4.40 -0.18 5.12 1.81 -0.82 0.45 118.95 129.64 1jsg s ARG 53 Ca -0.00 1.95 -0.16 0.00 -1.72 0.00 0.00 55.73 55.80 1jsg s ARG 53 Cb -0.09 -3.26 0.05 0.00 -0.45 0.00 0.00 34.95 31.20 1jsg s ARG 53 CO 0.01 -0.27 0.47 -1.21 -0.68 0.00 0.00 175.30 173.62 1jsg s GLU 54 N 0.48 0.54 -0.67 3.54 2.02 -0.86 -4.75 118.70 119.01 1jsg s GLU 54 Ca 0.58 0.66 -0.24 0.00 0.02 0.00 0.00 54.97 55.99 1jsg s GLU 54 Cb -0.34 0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.20 1jsg s GLU 54 CO 0.33 -0.07 1.06 -0.51 0.02 0.00 0.00 175.26 176.10 1jsg s ASP 55 N 0.29 6.19 0.31 -0.19 1.01 -1.26 -4.29 116.67 118.74 1jsg s ASP 55 Ca -0.00 -0.73 0.09 0.00 0.71 0.00 0.00 52.55 52.61 1jsg s ASP 55 Cb -0.03 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.38 1jsg s ASP 55 CO 0.00 -1.54 0.05 0.68 0.21 0.00 0.00 175.17 174.58 1jsg s VAL 56 N 4.58 3.05 -0.32 -1.27 -7.23 -1.26 -5.09 120.40 112.86 1jsg s VAL 56 Ca 0.27 -1.85 -0.21 0.00 -1.81 0.00 0.00 61.98 58.38 1jsg s VAL 56 Cb -0.14 -2.88 -0.00 0.00 0.56 0.00 0.00 36.38 33.92 1jsg s VAL 56 CO 0.13 -0.25 0.66 -0.69 -0.31 0.00 0.00 175.10 174.64 1jsg s VAL 57 N -2.42 4.89 0.05 1.32 1.01 -1.26 -5.05 120.40 118.95 1jsg s VAL 57 Ca 0.35 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.24 1jsg s VAL 57 Cb -0.03 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1jsg s VAL 57 CO 0.21 -0.22 -0.23 -0.76 0.00 0.00 0.00 175.10 174.10 1jsg s LEU 58 N 2.71 2.18 0.00 3.92 1.43 -1.26 -5.11 118.68 122.55 1jsg s LEU 58 Ca 0.26 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1jsg s LEU 58 Cb -0.15 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1jsg s LEU 58 CO 0.13 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1jsg n GLY 59 N 1.76 0.60 3.84 -3.19 0.00 -1.26 -5.08 105.19 101.86 1jsg n GLY 59 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1jsg n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jsg s ARG 60 N 1.93 3.81 0.67 1.61 3.52 -1.26 -5.08 118.95 124.16 1jsg s ARG 60 Ca 0.00 0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.68 1jsg s ARG 60 Cb 0.00 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1jsg s ARG 60 CO 0.00 0.67 1.13 -1.25 -0.81 0.00 0.00 175.30 175.04 1jsg s PRO 61 N -0.91 2.68 0.34 5.12 0.04 -1.26 -5.01 135.00 136.00 1jsg s PRO 61 Ca 0.21 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1jsg s PRO 61 Cb -0.15 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1jsg s PRO 61 CO 0.10 -1.36 0.53 -1.64 0.04 0.00 0.00 177.00 174.67 1jsg s MET 62 N -4.06 3.44 0.37 4.56 -1.94 -0.45 -5.07 119.30 116.14 1jsg s MET 62 Ca 0.68 -0.42 -0.02 0.00 -1.71 0.00 0.00 55.69 54.22 1jsg s MET 62 Cb -0.22 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 1jsg s MET 62 CO 0.42 0.15 0.61 0.95 -0.01 0.00 0.00 175.02 177.14 1jsg s THR 63 N -2.29 5.04 0.58 2.05 -4.23 -1.26 -4.90 115.64 110.63 1jsg s THR 63 Ca 0.40 -0.20 0.28 0.00 -1.18 0.00 0.00 61.69 60.99 1jsg s THR 63 Cb -0.10 -3.84 0.38 0.00 1.34 0.00 0.00 72.50 70.29 1jsg s THR 63 CO 0.35 -0.59 1.97 -0.65 -0.54 0.00 0.00 174.62 175.16 1jsg h PRO 64 N 0.79 0.00 -0.01 3.99 0.11 -1.99 -1.08 132.00 133.82 1jsg h PRO 64 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1jsg h PRO 64 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jsg h PRO 64 CO 0.62 0.00 -0.07 1.15 -0.21 0.00 0.00 178.00 179.49 1jsg h THR 65 N 0.00 1.57 -0.42 -1.15 2.02 -1.94 -2.68 112.91 110.31 1jsg h THR 65 Ca 0.19 -1.77 -0.03 0.00 0.77 0.00 0.00 66.41 65.57 1jsg h THR 65 Cb 0.96 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.09 1jsg h THR 65 CO -0.00 0.47 0.14 1.56 0.37 0.00 0.00 175.52 178.06 1jsg h GLN 66 N -0.65 0.61 -0.42 6.66 4.20 -1.73 -2.51 115.11 121.26 1jsg h GLN 66 Ca -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1jsg h GLN 66 Cb 0.80 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1jsg h GLN 66 CO 0.01 0.53 0.18 0.82 -0.67 0.00 0.00 178.83 179.70 1jsg h ILE 67 N 0.60 1.19 0.00 2.54 2.04 -1.26 -3.49 117.51 119.13 1jsg h ILE 67 Ca 0.14 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1jsg h ILE 67 Cb 0.17 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1jsg h ILE 67 CO -0.01 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.96 1jsg n GLY 68 N -0.82 -2.22 3.73 5.37 0.00 -0.95 -4.84 105.19 105.46 1jsg n GLY 68 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1jsg n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jsg n PRO 69 N -0.49 2.38 -3.86 1.61 -0.02 -1.26 -4.99 135.00 128.37 1jsg n PRO 69 Ca 0.00 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1jsg n PRO 69 Cb 0.00 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 30.96 1jsg n PRO 69 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jsg s SER 70 N -0.15 -0.24 0.07 2.55 0.15 -1.26 -5.01 113.70 109.82 1jsg s SER 70 Ca 0.56 -0.64 0.22 0.00 0.70 0.00 0.00 55.95 56.79 1jsg s SER 70 Cb -0.53 0.68 -0.11 0.00 -1.71 0.00 0.00 66.02 64.35 1jsg s SER 70 CO 0.61 -1.25 0.84 0.18 1.20 0.00 0.00 173.24 174.82 1jsg n LEU 71 N -0.43 0.49 -4.88 3.45 4.32 -1.26 -4.92 117.00 113.78 1jsg n LEU 71 Ca -0.05 0.08 -0.36 0.00 -0.02 0.00 0.00 56.01 55.67 1jsg n LEU 71 Cb 0.60 -0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 42.30 1jsg n LEU 71 CO 0.17 -0.04 -0.09 -0.76 -1.22 0.00 0.00 177.39 175.45 1jsg s LEU 72 N -4.56 4.39 0.62 2.23 1.02 -1.26 -5.10 118.68 116.03 1jsg s LEU 72 Ca -0.02 0.56 -0.15 0.00 0.02 0.00 0.00 54.13 54.54 1jsg s LEU 72 Cb 0.13 -2.46 -0.02 0.00 0.02 0.00 0.00 46.19 43.86 1jsg s LEU 72 CO 0.84 0.31 1.07 -2.16 0.02 0.00 0.00 176.35 176.43 1jsg s PRO 73 N -1.46 3.12 0.54 1.29 0.04 -1.26 -4.93 135.00 132.33 1jsg s PRO 73 Ca 0.23 1.24 0.32 0.00 0.04 0.00 0.00 61.00 62.83 1jsg s PRO 73 Cb -0.13 -2.00 1.43 0.00 0.04 0.00 0.00 34.50 33.84 1jsg s PRO 73 CO 0.12 -0.98 2.02 0.82 0.04 0.00 0.00 177.00 179.02 1jsg h ILE 74 N 0.21 0.21 -1.82 0.56 1.08 -1.94 -3.43 117.51 112.38 1jsg h ILE 74 Ca -0.47 -0.57 -0.00 0.00 -0.39 0.00 0.00 64.86 63.43 1jsg h ILE 74 Cb 1.23 1.47 -0.21 0.00 -3.07 0.00 0.00 36.82 36.24 1jsg h ILE 74 CO 0.56 0.07 0.33 -0.32 -0.69 0.00 0.00 178.15 178.10 1jsg s MET 75 N -3.82 0.86 -0.02 2.37 0.00 -1.26 -0.97 119.30 116.46 1jsg s MET 75 Ca -0.00 0.24 0.06 0.00 0.00 0.00 0.00 55.69 55.99 1jsg s MET 75 Cb 0.10 0.41 -0.02 0.00 0.00 0.00 0.00 34.83 35.33 1jsg s MET 75 CO 0.55 -0.26 -0.21 -1.58 0.00 0.00 0.00 175.02 173.52 1jsg s TRP 76 N -1.08 1.87 -0.06 4.11 0.51 -0.46 -1.48 118.94 122.34 1jsg s TRP 76 Ca -0.07 -0.36 0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1jsg s TRP 76 Cb -0.00 -1.20 0.02 0.00 -0.81 0.00 0.00 33.47 31.47 1jsg s TRP 76 CO 0.06 -0.04 -0.09 -1.14 -0.51 0.00 0.00 176.95 175.24 1jsg s GLN 77 N -0.47 1.33 -0.07 4.98 2.00 -0.09 -1.61 119.66 125.72 1jsg s GLN 77 Ca 0.08 -0.27 -0.30 0.00 -2.00 0.00 0.00 55.36 52.87 1jsg s GLN 77 Cb -0.08 -1.20 -0.03 0.00 0.80 0.00 0.00 33.01 32.50 1jsg s GLN 77 CO -0.01 -0.05 1.25 -1.17 -0.50 0.00 0.00 175.29 174.81 1jsg s LEU 78 N 0.88 4.26 0.45 3.68 2.96 -0.28 -0.12 118.68 130.51 1jsg s LEU 78 Ca -0.11 1.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.64 1jsg s LEU 78 Cb -0.15 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1jsg s LEU 78 CO 0.01 -0.65 0.67 -0.31 -1.32 0.00 0.00 176.35 174.75 1jsg s TYR 79 N 2.55 3.17 0.56 5.38 1.51 0.61 -4.95 117.35 126.17 1jsg s TYR 79 Ca 0.57 0.17 0.26 0.00 -1.01 0.00 0.00 57.07 57.05 1jsg s TYR 79 Cb -0.25 -2.34 1.50 0.00 -0.11 0.00 0.00 41.96 40.77 1jsg s TYR 79 CO 0.21 -0.39 2.06 -1.35 -1.11 0.00 0.00 175.55 174.97 1jsg h PRO 80 N 0.40 0.00 -0.16 -1.71 0.11 -1.96 -0.97 132.00 127.71 1jsg h PRO 80 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jsg h PRO 80 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1jsg h PRO 80 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1jsg n ASP 81 N -4.10 1.17 0.00 -2.05 5.75 -1.26 -4.91 116.55 111.15 1jsg n ASP 81 Ca 0.04 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1jsg n ASP 81 Cb 0.40 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1jsg n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsg n GLY 82 N 0.96 1.21 3.97 6.12 0.00 -0.37 -5.05 105.19 112.02 1jsg n GLY 82 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1jsg n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsg s ARG 83 N -0.39 3.40 -0.12 1.61 0.52 -1.26 -4.59 118.95 118.11 1jsg s ARG 83 Ca 0.00 -0.68 -0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1jsg s ARG 83 Cb 0.00 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 1jsg s ARG 83 CO 0.00 0.29 0.06 0.71 0.02 0.00 0.00 175.30 176.38 1jsg s TYR 84 N -2.10 3.32 -0.20 -0.53 2.02 -0.45 -0.28 117.35 119.13 1jsg s TYR 84 Ca 0.37 0.26 -0.10 0.00 -0.37 0.00 0.00 57.07 57.24 1jsg s TYR 84 Cb -0.09 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 1jsg s TYR 84 CO 0.31 0.47 0.12 0.50 -1.57 0.00 0.00 175.55 175.38 1jsg s ARG 85 N -0.58 4.14 0.34 -0.62 3.52 0.82 -0.20 118.95 126.37 1jsg s ARG 85 Ca 0.11 -0.24 -0.09 0.00 -0.13 0.00 0.00 55.73 55.37 1jsg s ARG 85 Cb -0.12 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.80 1jsg s ARG 85 CO 0.02 0.27 0.68 0.45 -0.81 0.00 0.00 175.30 175.91 1jsg s SER 86 N 0.45 6.54 0.00 -2.12 0.15 0.81 -0.91 113.70 118.62 1jsg s SER 86 Ca 0.07 1.01 0.09 0.00 0.70 0.00 0.00 55.95 57.83 1jsg s SER 86 Cb -0.11 -2.27 0.43 0.00 -1.71 0.00 0.00 66.02 62.36 1jsg s SER 86 CO -0.01 -0.28 1.26 -1.54 1.20 0.00 0.00 173.24 173.87 1jsg n SER 87 N -0.94 0.00 -0.80 5.45 3.41 -0.55 -0.53 113.62 119.66 1jsg n SER 87 Ca 0.01 0.38 0.08 0.00 -0.26 0.00 0.00 58.87 59.08 1jsg n SER 87 Cb 0.54 -0.42 0.24 0.00 -0.26 0.00 0.00 64.21 64.30 1jsg n SER 87 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jsg n ASP 88 N -1.42 2.33 0.00 4.04 5.75 -1.26 -4.91 116.55 121.08 1jsg n ASP 88 Ca 0.03 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1jsg n ASP 88 Cb 0.10 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1jsg n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1jsg n SER 89 N 0.77 -1.43 -4.92 -1.12 2.88 0.31 -5.04 113.62 105.08 1jsg n SER 89 Ca 0.16 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.43 1jsg n SER 89 Cb 0.39 -0.36 0.02 0.00 -0.75 0.00 0.00 64.21 63.51 1jsg n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jsg s SER 90 N -2.52 5.85 -0.06 -3.46 0.01 -1.25 -4.81 113.70 107.46 1jsg s SER 90 Ca 0.00 0.74 0.03 0.00 1.31 0.00 0.00 55.95 58.03 1jsg s SER 90 Cb 0.00 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.34 1jsg s SER 90 CO 0.00 -0.85 -0.15 -0.36 0.41 0.00 0.00 173.24 172.29 1jsg s PHE 91 N -2.85 2.71 -0.03 2.43 0.08 -1.26 -0.13 117.98 118.92 1jsg s PHE 91 Ca 0.51 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.36 1jsg s PHE 91 Cb -0.10 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 1jsg s PHE 91 CO 0.44 0.10 -0.22 -1.58 -0.10 0.00 0.00 175.22 173.86 1jsg s TRP 92 N -0.52 2.01 -0.03 0.36 0.52 0.72 -0.68 118.94 121.32 1jsg s TRP 92 Ca 0.07 -0.44 -0.14 0.00 0.02 0.00 0.00 56.10 55.62 1jsg s TRP 92 Cb -0.12 -1.31 -0.05 0.00 -1.15 0.00 0.00 33.47 30.84 1jsg s TRP 92 CO 0.01 -0.07 0.37 0.50 0.02 0.00 0.00 176.95 177.78 1jsg s ARG 93 N -0.41 3.89 -0.62 4.98 3.52 0.15 -1.34 118.95 129.13 1jsg s ARG 93 Ca 0.05 0.32 -0.26 0.00 -0.13 0.00 0.00 55.73 55.72 1jsg s ARG 93 Cb -0.10 -3.24 0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1jsg s ARG 93 CO 0.00 0.65 1.10 -1.17 -0.81 0.00 0.00 175.30 175.06 1jsg s LEU 94 N -0.88 3.74 0.15 -0.88 0.20 -1.26 -0.52 118.68 119.23 1jsg s LEU 94 Ca 0.22 -0.35 -0.10 0.00 0.69 0.00 0.00 54.13 54.59 1jsg s LEU 94 Cb -0.16 -2.79 -0.02 0.00 -0.43 0.00 0.00 46.19 42.79 1jsg s LEU 94 CO 0.11 -1.48 1.49 0.58 -0.29 0.00 0.00 176.35 176.76 1jsg h VAL 95 N 6.05 1.27 -2.04 1.68 2.07 -0.69 -3.47 116.25 121.13 1jsg h VAL 95 Ca -0.27 -1.55 0.13 0.00 0.82 0.00 0.00 66.70 65.83 1jsg h VAL 95 Cb 1.06 1.37 -0.17 0.00 -1.52 0.00 0.00 31.29 32.04 1jsg h VAL 95 CO 1.18 0.52 0.56 -0.72 0.02 0.00 0.00 177.57 179.13 1jsg s TYR 96 N -4.40 -0.31 -0.23 1.57 -0.85 -1.19 -4.99 117.35 106.96 1jsg s TYR 96 Ca -0.11 0.24 -0.03 0.00 -0.52 0.00 0.00 57.07 56.65 1jsg s TYR 96 Cb 0.11 0.52 0.10 0.00 0.38 0.00 0.00 41.96 43.08 1jsg s TYR 96 CO 0.88 -0.45 0.21 -1.58 -1.52 0.00 0.00 175.55 173.09 1jsg s HIS 97 N -2.73 -0.19 0.33 -3.49 2.46 -1.26 -0.82 115.29 109.58 1jsg s HIS 97 Ca 0.05 -0.09 0.03 0.00 0.47 0.00 0.00 55.06 55.52 1jsg s HIS 97 Cb -0.01 -0.50 -0.04 0.00 -0.13 0.00 0.00 32.58 31.90 1jsg s HIS 97 CO -0.07 -0.71 0.12 0.96 -2.47 0.00 0.00 174.74 172.58 1jsg s ILE 98 N 2.28 0.60 -0.07 0.89 -4.36 -0.29 -1.10 121.20 119.15 1jsg s ILE 98 Ca 0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1jsg s ILE 98 Cb -0.15 -2.54 0.02 0.00 1.25 0.00 0.00 42.46 41.04 1jsg s ILE 98 CO -0.21 0.00 -0.05 -0.75 0.24 0.00 0.00 174.94 174.17 1jsg s LYS 99 N -3.83 1.06 -0.21 0.37 2.20 -0.27 -0.65 119.74 118.41 1jsg s LYS 99 Ca 0.33 -0.14 -0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1jsg s LYS 99 Cb 0.05 -1.10 0.05 0.00 -1.51 0.00 0.00 37.83 35.33 1jsg s LYS 99 CO 0.16 -0.14 -0.05 0.42 -0.36 0.00 0.00 175.35 175.38 1jsg s ILE 100 N 1.23 1.29 -1.38 5.43 1.01 0.38 -1.66 121.20 127.50 1jsg s ILE 100 Ca -0.06 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 1jsg s ILE 100 Cb -0.14 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1jsg s ILE 100 CO -0.02 -0.03 0.41 -0.90 0.00 0.00 0.00 174.94 174.40 1jsg n ASP 101 N 4.78 -1.02 0.00 3.58 5.75 -1.26 -0.18 116.55 128.20 1jsg n ASP 101 Ca -0.12 -1.09 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1jsg n ASP 101 Cb 0.46 -2.70 0.00 0.00 -1.03 0.00 0.00 41.12 37.84 1jsg n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsg n GLY 102 N -2.07 2.13 3.63 6.12 0.00 -1.26 -4.98 105.19 108.75 1jsg n GLY 102 Ca -0.27 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1jsg n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jsg s VAL 103 N -0.66 3.32 -0.30 1.61 1.01 0.75 -4.97 120.40 121.16 1jsg s VAL 103 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1jsg s VAL 103 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1jsg s VAL 103 CO 0.00 -0.13 0.19 -0.70 0.00 0.00 0.00 175.10 174.47 1jsg s GLU 104 N 5.03 3.71 0.12 2.72 2.12 -1.26 0.14 118.70 131.28 1jsg s GLU 104 Ca 0.84 -0.48 0.10 0.00 0.36 0.00 0.00 54.97 55.79 1jsg s GLU 104 Cb -0.32 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 1jsg s GLU 104 CO 0.34 -0.29 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.01 1jsg s ASP 105 N 1.72 3.43 -0.02 -1.70 1.01 0.17 -1.94 116.67 119.35 1jsg s ASP 105 Ca 0.06 -0.70 0.01 0.00 0.71 0.00 0.00 52.55 52.64 1jsg s ASP 105 Cb -0.16 -0.30 0.01 0.00 1.01 0.00 0.00 42.92 43.48 1jsg s ASP 105 CO 0.10 0.19 -0.05 -0.32 0.21 0.00 0.00 175.17 175.29 1jsg s MET 106 N -2.02 0.63 -0.18 8.23 1.75 -0.23 -1.14 119.30 126.34 1jsg s MET 106 Ca 0.15 -0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 1jsg s MET 106 Cb -0.10 -0.64 0.02 0.00 2.84 0.00 0.00 34.83 36.95 1jsg s MET 106 CO 0.07 0.03 -0.19 -1.17 -0.65 0.00 0.00 175.02 173.10 1jsg s LEU 107 N 0.38 2.16 -0.10 4.11 2.96 -0.00 -1.10 118.68 127.08 1jsg s LEU 107 Ca -0.05 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.21 1jsg s LEU 107 Cb -0.08 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1jsg s LEU 107 CO -0.00 -0.00 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.22 1jsg s LEU 108 N 1.30 3.27 -0.07 -0.68 1.02 -0.75 0.11 118.68 122.87 1jsg s LEU 108 Ca 0.05 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.20 1jsg s LEU 108 Cb -0.13 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.35 1jsg s LEU 108 CO -0.13 0.31 -0.14 -0.70 0.02 0.00 0.00 176.35 175.72 1jsg s GLU 109 N -0.47 1.88 0.24 1.70 2.12 0.33 -1.06 118.70 123.43 1jsg s GLU 109 Ca 0.07 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1jsg s GLU 109 Cb -0.12 -1.53 -0.09 0.00 0.26 0.00 0.00 34.13 32.64 1jsg s GLU 109 CO 0.02 0.04 1.33 -1.17 -0.54 0.00 0.00 175.26 174.93 1jsg s LEU 110 N 0.66 4.42 0.05 2.70 2.96 0.21 0.33 118.68 130.01 1jsg s LEU 110 Ca -0.14 2.51 0.05 0.00 -0.22 0.00 0.00 54.13 56.33 1jsg s LEU 110 Cb -0.16 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1jsg s LEU 110 CO 0.04 -0.55 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.67 1jsg s LEU 111 N -0.57 3.05 -1.03 -0.68 1.43 0.14 -4.60 118.68 116.42 1jsg s LEU 111 Ca 0.55 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1jsg s LEU 111 Cb -0.38 -1.80 0.27 0.00 0.03 0.00 0.00 46.19 44.31 1jsg s LEU 111 CO 0.42 0.23 2.04 -0.81 0.23 0.00 0.00 176.35 178.46 1jsg n PRO 112 N 1.19 4.67 0.00 1.29 -0.04 -1.26 -4.28 135.00 136.57 1jsg n PRO 112 Ca -0.14 -4.09 0.00 0.00 -0.04 0.00 0.00 63.50 59.22 1jsg n PRO 112 Cb 0.52 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1jsg n PRO 112 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jsg n ASP 113 N 0.30 0.00 0.00 3.54 5.75 -1.26 -5.15 116.55 119.73 1jsg n ASP 113 Ca 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.30 1jsg n ASP 113 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1jsg n ASP 113 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42