#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj n VAL 4 N 0.00 0.09 -3.24 12.58 3.14 -1.26 -4.99 118.33 124.65 1jjj n VAL 4 Ca 0.00 -1.67 -0.25 0.00 -2.96 0.00 0.00 64.34 59.47 1jjj n VAL 4 Cb 0.00 1.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.71 1jjj n VAL 4 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1jjj n GLN 5 N -0.46 0.96 0.05 1.45 7.27 -1.26 -4.85 117.38 120.53 1jjj n GLN 5 Ca -0.01 -3.44 0.00 0.00 0.07 0.00 0.00 57.00 53.62 1jjj n GLN 5 Cb 0.83 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 32.09 1jjj n GLN 5 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1jjj n GLN 6 N 1.39 0.00 0.00 3.69 6.02 -1.26 -5.00 117.38 122.22 1jjj n GLN 6 Ca 0.23 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.34 1jjj n GLN 6 Cb 0.51 0.00 0.73 0.00 1.02 0.00 0.00 30.24 32.50 1jjj n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jjj n LEU 7 N -2.63 0.00 -4.80 1.08 4.77 -1.26 -4.94 117.00 109.21 1jjj n LEU 7 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1jjj n LEU 7 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1jjj n LEU 7 CO 0.00 0.00 0.47 -1.61 -1.33 0.00 0.00 177.39 174.92 1jjj s GLU 8 N -2.00 4.36 0.00 3.23 8.01 -1.26 -4.69 118.70 126.35 1jjj s GLU 8 Ca 0.37 1.00 0.00 0.00 0.01 0.00 0.00 54.97 56.35 1jjj s GLU 8 Cb 0.17 -2.93 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 1jjj s GLU 8 CO 0.29 0.40 0.00 0.41 0.01 0.00 0.00 175.26 176.37 1jjj n GLY 9 N 0.84 0.59 3.57 -1.39 0.00 -0.13 -4.93 105.19 103.74 1jjj n GLY 9 Ca -0.02 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 1jjj n GLY 9 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jjj s ARG 10 N -0.67 3.64 -0.29 1.61 3.52 -1.26 -1.26 118.95 124.24 1jjj s ARG 10 Ca 0.00 0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 1jjj s ARG 10 Cb 0.00 -3.86 0.03 0.00 -1.56 0.00 0.00 34.95 29.56 1jjj s ARG 10 CO 0.00 -0.97 0.01 -1.58 -0.81 0.00 0.00 175.30 171.95 1jjj s TRP 11 N 3.25 3.17 -0.09 5.12 0.52 -0.64 -0.54 118.94 129.73 1jjj s TRP 11 Ca 0.32 -1.49 -0.15 0.00 0.02 0.00 0.00 56.10 54.80 1jjj s TRP 11 Cb -0.12 -2.15 -0.05 0.00 -1.15 0.00 0.00 33.47 30.00 1jjj s TRP 11 CO 0.20 -0.71 0.38 0.50 0.02 0.00 0.00 176.95 177.33 1jjj s ARG 12 N 1.36 4.12 0.05 4.98 3.52 0.08 -0.39 118.95 132.67 1jjj s ARG 12 Ca -0.01 0.31 -0.31 0.00 -0.13 0.00 0.00 55.73 55.59 1jjj s ARG 12 Cb -0.18 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 1jjj s ARG 12 CO -0.01 0.40 1.43 -1.17 -0.81 0.00 0.00 175.30 175.14 1jjj s LEU 13 N -0.11 4.34 0.00 -0.88 2.96 -0.86 -1.03 118.68 123.11 1jjj s LEU 13 Ca 0.22 2.23 -0.02 0.00 -0.22 0.00 0.00 54.13 56.33 1jjj s LEU 13 Cb -0.15 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1jjj s LEU 13 CO 0.09 -0.71 -0.04 1.33 -1.32 0.00 0.00 176.35 175.69 1jjj n VAL 14 N 4.43 0.47 -3.79 1.68 0.24 -0.47 -4.79 118.33 116.11 1jjj n VAL 14 Ca 0.13 0.22 -0.37 0.00 -2.04 0.00 0.00 64.34 62.28 1jjj n VAL 14 Cb 0.43 -1.41 -0.12 0.00 -1.47 0.00 0.00 33.84 31.26 1jjj n VAL 14 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jjj s ASP 15 N -5.12 5.21 -1.17 -1.34 2.15 -1.23 -4.99 116.67 110.19 1jjj s ASP 15 Ca -0.04 -1.35 -0.15 0.00 0.43 0.00 0.00 52.55 51.45 1jjj s ASP 15 Cb 0.00 -1.83 0.16 0.00 -0.30 0.00 0.00 42.92 40.96 1jjj s ASP 15 CO 0.05 -0.36 1.39 -0.94 -0.17 0.00 0.00 175.17 175.14 1jjj s SER 16 N 1.49 7.01 -0.54 -0.34 1.04 -1.26 -0.93 113.70 120.17 1jjj s SER 16 Ca -0.01 -2.85 -0.27 0.00 0.48 0.00 0.00 55.95 53.30 1jjj s SER 16 Cb -0.20 -2.40 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1jjj s SER 16 CO 0.00 -0.80 1.08 -0.75 0.98 0.00 0.00 173.24 173.76 1jjj s LYS 17 N 1.76 3.51 -0.06 4.02 2.47 -0.62 -2.92 119.74 127.91 1jjj s LYS 17 Ca 0.41 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 1jjj s LYS 17 Cb -0.03 -3.99 0.00 0.00 -1.46 0.00 0.00 37.83 32.35 1jjj s LYS 17 CO -0.01 -1.52 0.00 0.41 0.16 0.00 0.00 175.35 174.39 1jjj n GLY 18 N 5.02 0.46 2.77 5.54 0.00 -1.26 -1.07 105.19 116.65 1jjj n GLY 18 Ca 0.07 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1jjj n GLY 18 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jjj n PHE 19 N -2.97 3.05 0.03 1.61 7.35 -1.15 -3.85 117.46 121.53 1jjj n PHE 19 Ca -0.01 -2.86 0.00 0.00 -0.76 0.00 0.00 57.45 53.83 1jjj n PHE 19 Cb 0.03 -2.14 0.00 0.00 0.35 0.00 0.00 39.48 37.71 1jjj n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jjj n ASP 20 N 4.33 -0.10 -0.28 -2.13 2.03 -1.26 -4.69 116.55 114.45 1jjj n ASP 20 Ca 0.47 0.09 0.08 0.00 0.52 0.00 0.00 54.79 55.96 1jjj n ASP 20 Cb 0.36 0.16 0.21 0.00 -0.72 0.00 0.00 41.12 41.13 1jjj n ASP 20 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1jjj h GLU 21 N 0.00 0.11 0.29 -0.67 4.39 -1.99 -0.51 114.58 116.20 1jjj h GLU 21 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jjj h GLU 21 Cb 0.00 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1jjj h GLU 21 CO 0.00 0.07 -0.41 -0.92 -1.16 0.00 0.00 179.01 176.59 1jjj h TYR 22 N 0.11 -1.13 -0.54 4.33 3.20 -1.83 0.32 116.97 121.43 1jjj h TYR 22 Ca 0.48 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.35 1jjj h TYR 22 Cb 0.89 0.46 -0.03 0.00 1.54 0.00 0.00 36.73 39.59 1jjj h TYR 22 CO -0.41 -0.54 0.29 0.00 -1.64 0.00 0.00 178.16 175.86 1jjj h MET 23 N -0.76 0.76 -0.65 1.82 -0.00 -1.87 -1.19 114.93 113.04 1jjj h MET 23 Ca -0.01 -0.09 0.13 0.00 -0.00 0.00 0.00 59.70 59.73 1jjj h MET 23 Cb 0.71 -0.15 -0.10 0.00 -0.00 0.00 0.00 31.60 32.07 1jjj h MET 23 CO -0.13 0.59 0.11 -0.22 -0.00 0.00 0.00 176.91 177.26 1jjj h LYS 24 N 0.73 0.21 -0.47 -0.10 3.11 -1.13 -1.63 116.57 117.30 1jjj h LYS 24 Ca 0.19 -0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.89 1jjj h LYS 24 Cb 0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 1jjj h LYS 24 CO -0.03 0.14 -0.20 1.49 -2.81 0.00 0.00 179.45 178.04 1jjj h GLU 25 N 0.22 0.93 -0.96 1.90 4.57 -0.68 -2.66 114.58 117.90 1jjj h GLU 25 Ca 0.35 -0.38 0.20 0.00 -1.18 0.00 0.00 59.36 58.35 1jjj h GLU 25 Cb 0.56 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.99 1jjj h GLU 25 CO -0.47 1.04 0.54 -0.07 -1.18 0.00 0.00 179.01 178.88 1jjj h LEU 26 N 0.81 0.64 0.00 1.64 3.38 -1.20 -3.48 115.31 117.11 1jjj h LEU 26 Ca 0.11 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jjj h LEU 26 Cb 0.76 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jjj h LEU 26 CO 0.06 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1jjj n GLY 27 N -1.32 0.80 3.76 0.83 0.00 -0.82 -5.09 105.19 103.34 1jjj n GLY 27 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1jjj n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jjj s VAL 28 N -0.39 5.42 0.83 1.61 1.01 -0.68 -5.01 120.40 123.19 1jjj s VAL 28 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1jjj s VAL 28 Cb 0.00 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 33.00 1jjj s VAL 28 CO 0.00 0.47 1.10 -0.83 0.00 0.00 0.00 175.10 175.84 1jjj s GLY 29 N 0.13 1.67 0.16 4.51 0.00 -1.26 -4.62 107.32 107.91 1jjj s GLY 29 Ca 0.10 0.30 -0.15 0.00 0.00 0.00 0.00 44.72 44.97 1jjj s GLY 29 CO -0.01 0.69 1.79 0.16 0.00 0.00 0.00 173.10 175.73 1jjj h ILE 30 N -1.39 1.00 -0.84 0.90 -0.00 -1.99 0.16 117.51 115.34 1jjj h ILE 30 Ca -0.44 -0.16 -0.00 0.00 -0.00 0.00 0.00 64.86 64.26 1jjj h ILE 30 Cb 1.25 0.50 -0.04 0.00 -0.00 0.00 0.00 36.82 38.53 1jjj h ILE 30 CO 0.49 0.08 0.51 0.00 -0.00 0.00 0.00 178.15 179.24 1jjj h ALA 31 N 1.21 1.08 -0.53 0.16 0.00 -1.99 -0.96 119.26 118.24 1jjj h ALA 31 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1jjj h ALA 31 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1jjj h ALA 31 CO -0.11 0.54 -0.02 1.25 0.00 0.00 0.00 179.25 180.90 1jjj h LEU 32 N 1.16 0.93 -0.29 0.00 7.12 -1.84 -0.94 115.31 121.46 1jjj h LEU 32 Ca 0.30 -0.32 0.05 0.00 0.13 0.00 0.00 57.88 58.05 1jjj h LEU 32 Cb -0.05 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 39.78 1jjj h LEU 32 CO -0.06 1.03 -0.03 0.03 -0.13 0.00 0.00 178.44 179.28 1jjj h ARG 33 N 0.82 0.05 -0.28 1.25 3.08 -0.71 -0.19 114.38 118.40 1jjj h ARG 33 Ca 0.15 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.25 1jjj h ARG 33 Cb 0.56 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 1jjj h ARG 33 CO 0.03 0.03 -0.05 -0.22 -1.07 0.00 0.00 179.97 178.70 1jjj h LYS 34 N 0.05 0.03 0.03 0.04 3.64 -1.11 -0.67 116.57 118.57 1jjj h LYS 34 Ca 0.14 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1jjj h LYS 34 Cb 0.20 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1jjj h LYS 34 CO -0.26 0.02 -0.35 1.98 -2.27 0.00 0.00 179.45 178.57 1jjj h MET 35 N 0.03 -0.50 -0.65 1.90 4.05 -1.16 -2.90 114.93 115.70 1jjj h MET 35 Ca 0.13 0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 1jjj h MET 35 Cb 0.19 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 1jjj h MET 35 CO -0.26 -0.33 0.41 0.78 0.23 0.00 0.00 176.91 177.73 1jjj h GLY 36 N -0.52 0.92 0.96 1.39 0.00 -0.89 -1.24 103.07 103.68 1jjj h GLY 36 Ca 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1jjj h GLY 36 CO -0.26 0.28 0.16 0.00 0.00 0.00 0.00 176.54 176.72 1jjj h ALA 37 N 1.27 0.61 -0.36 3.60 0.00 -1.21 -3.29 119.26 119.88 1jjj h ALA 37 Ca 0.25 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1jjj h ALA 37 Cb -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1jjj h ALA 37 CO -0.09 0.24 -0.43 0.00 0.00 0.00 0.00 179.25 178.96 1jjj h MET 38 N 0.61 0.93 -6.77 0.00 3.00 -1.51 -3.47 114.93 107.73 1jjj h MET 38 Ca 0.15 -0.52 -0.53 0.00 0.00 0.00 0.00 59.70 58.81 1jjj h MET 38 Cb 0.23 0.03 0.08 0.00 0.00 0.00 0.00 31.60 31.94 1jjj h MET 38 CO -0.01 1.17 0.92 0.00 0.00 0.00 0.00 176.91 178.99 1jjj s ALA 39 N -4.32 3.79 -0.51 -3.00 0.00 -0.47 -5.03 121.76 112.22 1jjj s ALA 39 Ca -0.11 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1jjj s ALA 39 Cb 0.11 -3.66 0.13 0.00 0.00 0.00 0.00 23.12 19.70 1jjj s ALA 39 CO 0.89 -0.97 0.26 0.15 0.00 0.00 0.00 175.76 176.09 1jjj s LYS 40 N -0.11 2.04 0.61 0.00 3.01 -1.26 -4.96 119.74 119.07 1jjj s LYS 40 Ca 0.66 -2.40 -0.12 0.00 -1.01 0.00 0.00 55.97 53.09 1jjj s LYS 40 Cb -0.48 -3.43 -0.04 0.00 -1.01 0.00 0.00 37.83 32.87 1jjj s LYS 40 CO 0.44 -1.09 1.03 -1.25 0.51 0.00 0.00 175.35 174.99 1jjj s PRO 41 N 0.09 3.55 -0.47 -1.68 0.04 -1.26 -4.66 135.00 130.61 1jjj s PRO 41 Ca 0.15 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 1jjj s PRO 41 Cb -0.23 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.28 1jjj s PRO 41 CO -0.03 -0.61 0.59 -0.51 0.04 0.00 0.00 177.00 176.49 1jjj s ASP 42 N -3.79 6.24 -0.60 6.66 1.11 -0.59 -2.02 116.67 123.67 1jjj s ASP 42 Ca 0.57 -0.74 -0.22 0.00 0.18 0.00 0.00 52.55 52.34 1jjj s ASP 42 Cb -0.12 -2.28 0.06 0.00 1.07 0.00 0.00 42.92 41.65 1jjj s ASP 42 CO 0.48 -0.80 0.90 0.00 1.18 0.00 0.00 175.17 176.93 1jjj s ILE 44 N 3.78 5.02 -0.18 0.00 1.09 -0.02 -1.62 121.20 129.27 1jjj s ILE 44 Ca 0.23 0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 60.73 1jjj s ILE 44 Cb -0.16 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.32 1jjj s ILE 44 CO 0.13 0.03 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.35 1jjj s ILE 45 N 2.43 3.92 -0.10 2.92 1.01 -0.39 -1.25 121.20 129.74 1jjj s ILE 45 Ca 0.24 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1jjj s ILE 45 Cb -0.15 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1jjj s ILE 45 CO 0.09 0.46 0.05 -0.89 0.00 0.00 0.00 174.94 174.65 1jjj s THR 46 N 0.74 0.10 -0.26 2.92 2.01 -0.82 -0.96 115.64 119.36 1jjj s THR 46 Ca -0.01 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1jjj s THR 46 Cb -0.14 -0.47 0.05 0.00 0.01 0.00 0.00 72.50 71.95 1jjj s THR 46 CO 0.02 0.03 -0.08 0.00 -0.69 0.00 0.00 174.62 173.90 1jjj n ASP 48 N 4.53 5.60 0.00 0.00 8.00 -0.81 -4.86 116.55 129.01 1jjj n ASP 48 Ca -0.15 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.23 1jjj n ASP 48 Cb 0.44 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 49 N 2.57 1.33 0.19 0.44 0.00 -1.26 -3.78 105.19 104.68 1jjj n GLY 49 Ca 0.43 0.20 -0.18 0.00 0.00 0.00 0.00 46.02 46.46 1jjj n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jjj n LYS 50 N 0.00 0.49 -2.31 1.61 5.02 -1.26 -4.91 118.16 116.80 1jjj n LYS 50 Ca 0.00 0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 56.02 1jjj n LYS 50 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1jjj n LYS 50 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jjj s ASN 51 N -6.41 6.29 -0.29 4.39 4.22 -1.25 -0.63 114.94 121.27 1jjj s ASN 51 Ca -0.29 0.87 -0.03 0.00 -2.14 0.00 0.00 52.86 51.27 1jjj s ASN 51 Cb 0.09 -2.54 0.03 0.00 1.28 0.00 0.00 41.25 40.11 1jjj s ASN 51 CO 0.44 -1.47 0.01 -0.22 -2.04 0.00 0.00 177.10 173.82 1jjj s LEU 52 N 5.59 3.69 -0.33 3.54 0.20 0.16 -1.92 118.68 129.60 1jjj s LEU 52 Ca 0.63 -0.99 -0.13 0.00 0.69 0.00 0.00 54.13 54.33 1jjj s LEU 52 Cb -0.14 -1.75 -0.02 0.00 -0.43 0.00 0.00 46.19 43.84 1jjj s LEU 52 CO 0.33 -0.21 0.27 -0.89 -0.29 0.00 0.00 176.35 175.56 1jjj s THR 53 N 1.35 5.25 -0.41 3.68 2.01 -0.08 -0.89 115.64 126.55 1jjj s THR 53 Ca -0.01 -0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 1jjj s THR 53 Cb -0.18 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.67 1jjj s THR 53 CO -0.01 -0.00 0.24 -0.63 -0.69 0.00 0.00 174.62 173.53 1jjj s ILE 54 N 1.81 4.25 -0.44 1.82 1.01 -0.23 -1.95 121.20 127.47 1jjj s ILE 54 Ca 0.08 -1.31 -0.13 0.00 0.00 0.00 0.00 60.65 59.29 1jjj s ILE 54 Cb -0.17 -3.56 0.07 0.00 0.01 0.00 0.00 42.46 38.81 1jjj s ILE 54 CO 0.11 -0.45 0.32 -0.75 0.00 0.00 0.00 174.94 174.17 1jjj s LYS 55 N 1.44 2.84 -0.59 2.79 2.20 -0.38 -1.61 119.74 126.43 1jjj s LYS 55 Ca 0.03 -1.34 -0.22 0.00 -0.36 0.00 0.00 55.97 54.07 1jjj s LYS 55 Cb -0.22 -3.96 0.06 0.00 -1.51 0.00 0.00 37.83 32.19 1jjj s LYS 55 CO 0.03 -0.95 0.89 0.99 -0.36 0.00 0.00 175.35 175.95 1jjj s THR 56 N 1.56 4.46 -0.31 3.43 2.01 -0.46 -0.84 115.64 125.49 1jjj s THR 56 Ca 0.03 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 1jjj s THR 56 Cb -0.23 -4.56 -0.01 0.00 0.01 0.00 0.00 72.50 67.71 1jjj s THR 56 CO 0.05 -1.21 0.52 -1.61 -0.69 0.00 0.00 174.62 171.68 1jjj s GLU 57 N 3.73 3.83 -0.22 4.92 2.02 0.05 -1.70 118.70 131.34 1jjj s GLU 57 Ca 0.24 0.07 -0.19 0.00 0.02 0.00 0.00 54.97 55.11 1jjj s GLU 57 Cb -0.16 -3.74 0.06 0.00 0.10 0.00 0.00 34.13 30.39 1jjj s GLU 57 CO 0.14 -0.52 0.59 0.45 0.02 0.00 0.00 175.26 175.93 1jjj s SER 58 N 1.67 -0.65 0.40 -0.19 0.15 -1.26 -1.54 113.70 112.28 1jjj s SER 58 Ca 0.20 1.21 0.08 0.00 0.70 0.00 0.00 55.95 58.14 1jjj s SER 58 Cb -0.15 1.18 0.85 0.00 -1.71 0.00 0.00 66.02 66.20 1jjj s SER 58 CO 0.12 -0.21 2.01 0.71 1.20 0.00 0.00 173.24 177.07 1jjj h THR 59 N 4.47 1.04 -0.15 6.45 1.35 -1.97 -2.79 112.91 121.31 1jjj h THR 59 Ca -0.29 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 1jjj h THR 59 Cb 1.18 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1jjj h THR 59 CO 0.15 0.11 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.45 1jjj h LEU 60 N 0.59 0.27 -6.17 3.87 3.38 -1.98 -3.45 115.31 111.83 1jjj h LEU 60 Ca 0.22 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1jjj h LEU 60 Cb 0.15 -0.07 -0.25 0.00 0.09 0.00 0.00 40.66 40.58 1jjj h LEU 60 CO -0.06 0.53 -0.41 -0.75 0.09 0.00 0.00 178.44 177.84 1jjj s LYS 61 N -4.92 0.48 -0.10 1.13 2.47 -1.15 -5.11 119.74 112.54 1jjj s LYS 61 Ca -0.14 0.57 -0.16 0.00 -1.56 0.00 0.00 55.97 54.68 1jjj s LYS 61 Cb 0.06 0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 36.44 1jjj s LYS 61 CO 0.72 -0.85 0.42 0.99 0.16 0.00 0.00 175.35 176.80 1jjj s THR 62 N 2.71 5.17 -0.12 3.43 2.01 -1.06 -4.14 115.64 123.63 1jjj s THR 62 Ca 0.14 0.84 -0.04 0.00 0.31 0.00 0.00 61.69 62.94 1jjj s THR 62 Cb -0.13 -3.75 0.06 0.00 0.01 0.00 0.00 72.50 68.68 1jjj s THR 62 CO -0.24 0.40 0.14 0.42 -0.69 0.00 0.00 174.62 174.66 1jjj s THR 63 N 0.18 -0.21 -0.11 -0.82 -4.23 -0.69 -5.00 115.64 104.77 1jjj s THR 63 Ca 0.23 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1jjj s THR 63 Cb -0.15 -0.42 -0.03 0.00 1.34 0.00 0.00 72.50 73.24 1jjj s THR 63 CO 0.10 -0.02 -0.06 -1.58 -0.54 0.00 0.00 174.62 172.52 1jjj s GLN 64 N 2.25 3.15 -0.01 3.99 0.74 -1.26 -1.35 119.66 127.16 1jjj s GLN 64 Ca 0.04 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.88 1jjj s GLN 64 Cb -0.14 -2.73 -0.00 0.00 1.10 0.00 0.00 33.01 31.25 1jjj s GLN 64 CO -0.07 0.48 0.06 -0.59 -0.55 0.00 0.00 175.29 174.62 1jjj s PHE 65 N -0.30 0.03 -0.41 1.67 -0.12 -0.63 -5.02 117.98 113.20 1jjj s PHE 65 Ca 0.05 -0.05 -0.10 0.00 -0.05 0.00 0.00 56.93 56.78 1jjj s PHE 65 Cb -0.13 -0.04 0.07 0.00 -0.63 0.00 0.00 43.02 42.29 1jjj s PHE 65 CO 0.02 -0.13 0.25 -1.54 -0.05 0.00 0.00 175.22 173.78 1jjj s SER 66 N -0.64 5.66 -0.14 1.98 1.04 -1.26 -1.06 113.70 119.27 1jjj s SER 66 Ca -0.07 -1.42 -0.07 0.00 0.48 0.00 0.00 55.95 54.88 1jjj s SER 66 Cb -0.04 -2.00 -0.04 0.00 0.10 0.00 0.00 66.02 64.04 1jjj s SER 66 CO 0.00 -0.52 0.09 0.00 0.98 0.00 0.00 173.24 173.79 1jjj s THR 68 N -0.36 4.21 -0.09 0.00 2.01 -1.26 -0.66 115.64 119.48 1jjj s THR 68 Ca 0.10 1.62 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 1jjj s THR 68 Cb -0.12 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.33 1jjj s THR 68 CO 0.02 0.15 1.11 -0.22 -0.69 0.00 0.00 174.62 174.98 1jjj s LEU 69 N 0.85 4.25 0.00 4.42 2.96 0.20 -3.64 118.68 127.72 1jjj s LEU 69 Ca 0.56 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1jjj s LEU 69 Cb -0.27 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1jjj s LEU 69 CO 0.30 -0.54 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 1jjj n GLY 70 N 3.26 0.94 3.61 7.98 0.00 0.43 -4.93 105.19 116.49 1jjj n GLY 70 Ca 0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1jjj n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjj s GLU 71 N -4.47 0.41 0.01 1.61 2.12 -1.24 -5.04 118.70 112.09 1jjj s GLU 71 Ca 0.00 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.49 1jjj s GLU 71 Cb 0.00 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 1jjj s GLU 71 CO 0.00 -0.11 0.18 -1.59 -0.54 0.00 0.00 175.26 173.20 1jjj s LYS 72 N -0.77 3.42 0.09 4.30 -2.85 -1.26 -2.54 119.74 120.13 1jjj s LYS 72 Ca 0.02 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1jjj s LYS 72 Cb -0.02 -3.08 -0.04 0.00 -2.06 0.00 0.00 37.83 32.64 1jjj s LYS 72 CO -0.03 0.66 -0.03 -0.59 0.10 0.00 0.00 175.35 175.46 1jjj s PHE 73 N -1.36 0.77 -0.62 1.78 -0.71 -0.96 -4.86 117.98 112.02 1jjj s PHE 73 Ca 0.29 -1.03 -0.27 0.00 -1.04 0.00 0.00 56.93 54.88 1jjj s PHE 73 Cb -0.13 -0.48 0.03 0.00 -1.21 0.00 0.00 43.02 41.24 1jjj s PHE 73 CO 0.21 -0.29 1.19 -2.00 -1.34 0.00 0.00 175.22 172.98 1jjj s GLU 74 N -3.90 3.40 -0.46 1.99 2.12 -1.26 -0.47 118.70 120.11 1jjj s GLU 74 Ca 0.13 0.04 -0.23 0.00 0.36 0.00 0.00 54.97 55.27 1jjj s GLU 74 Cb 0.07 -4.07 0.03 0.00 0.26 0.00 0.00 34.13 30.42 1jjj s GLU 74 CO -0.05 -1.80 0.81 -2.00 -0.54 0.00 0.00 175.26 171.67 1jjj s GLU 75 N 5.07 3.40 -0.70 4.30 2.12 -0.08 -4.83 118.70 127.98 1jjj s GLU 75 Ca 0.39 -0.12 -0.27 0.00 0.36 0.00 0.00 54.97 55.33 1jjj s GLU 75 Cb -0.08 -3.95 0.01 0.00 0.26 0.00 0.00 34.13 30.36 1jjj s GLU 75 CO 0.22 -1.16 1.51 0.99 -0.54 0.00 0.00 175.26 176.27 1jjj s THR 76 N 3.37 3.59 0.50 -1.70 2.01 -1.26 -0.97 115.64 121.17 1jjj s THR 76 Ca 0.30 0.29 -0.21 0.00 0.31 0.00 0.00 61.69 62.37 1jjj s THR 76 Cb -0.12 -4.55 -0.07 0.00 0.01 0.00 0.00 72.50 67.77 1jjj s THR 76 CO 0.22 -1.50 1.15 0.42 -0.69 0.00 0.00 174.62 174.22 1jjj s THR 77 N 7.02 3.13 0.31 -0.82 -4.23 -0.22 -4.97 115.64 115.85 1jjj s THR 77 Ca 0.48 0.77 0.07 0.00 -1.18 0.00 0.00 61.69 61.83 1jjj s THR 77 Cb -0.09 -3.36 0.30 0.00 1.34 0.00 0.00 72.50 70.69 1jjj s THR 77 CO 0.16 -0.08 1.69 0.00 -0.54 0.00 0.00 174.62 175.85 1jjj h ALA 78 N 1.64 1.58 -0.29 3.99 0.00 -1.95 -2.03 119.26 122.20 1jjj h ALA 78 Ca -0.50 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1jjj h ALA 78 Cb 1.25 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1jjj h ALA 78 CO 0.59 -0.39 -0.15 0.22 0.00 0.00 0.00 179.25 179.52 1jjj h ASP 79 N 0.40 0.63 0.00 0.00 3.58 -1.99 -3.49 116.42 115.54 1jjj h ASP 79 Ca 0.61 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1jjj h ASP 79 Cb 1.21 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1jjj h ASP 79 CO -0.55 0.90 0.00 0.61 -2.88 0.00 0.00 179.24 177.32 1jjj n GLY 80 N -0.03 0.57 3.70 -0.78 0.00 -0.76 -5.06 105.19 102.84 1jjj n GLY 80 Ca -0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1jjj n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jjj s ARG 81 N 0.00 4.26 -0.31 1.61 0.52 -1.26 -4.74 118.95 119.03 1jjj s ARG 81 Ca 0.00 2.15 -0.22 0.00 -0.52 0.00 0.00 55.73 57.14 1jjj s ARG 81 Cb 0.00 -3.45 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 1jjj s ARG 81 CO 0.00 -0.59 0.70 0.15 0.02 0.00 0.00 175.30 175.57 1jjj s LYS 82 N 2.01 3.91 -0.09 3.54 1.02 -1.26 -1.06 119.74 127.82 1jjj s LYS 82 Ca 0.68 0.41 0.03 0.00 0.02 0.00 0.00 55.97 57.11 1jjj s LYS 82 Cb -0.37 -3.73 0.01 0.00 -0.52 0.00 0.00 37.83 33.22 1jjj s LYS 82 CO 0.30 -0.63 -0.18 0.95 -0.92 0.00 0.00 175.35 174.86 1jjj s THR 83 N 2.77 1.65 -0.58 2.17 -4.23 -0.14 -4.80 115.64 112.48 1jjj s THR 83 Ca 0.28 -0.77 -0.26 0.00 -1.18 0.00 0.00 61.69 59.76 1jjj s THR 83 Cb -0.15 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.27 1jjj s THR 83 CO 0.12 0.47 1.06 -1.10 -0.54 0.00 0.00 174.62 174.63 1jjj s GLN 84 N 0.57 3.39 -0.29 3.99 -1.52 0.77 -0.90 119.66 125.67 1jjj s GLN 84 Ca -0.15 -0.09 0.03 0.00 -1.95 0.00 0.00 55.36 53.20 1jjj s GLN 84 Cb -0.17 -4.05 0.08 0.00 -0.22 0.00 0.00 33.01 28.65 1jjj s GLN 84 CO 0.05 -1.61 -0.03 0.99 -0.25 0.00 0.00 175.29 174.45 1jjj s THR 85 N 4.43 2.04 -0.20 -0.19 2.01 0.38 -2.17 115.64 121.93 1jjj s THR 85 Ca 0.35 -1.84 -0.29 0.00 0.31 0.00 0.00 61.69 60.22 1jjj s THR 85 Cb -0.10 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1jjj s THR 85 CO 0.21 -0.30 1.06 0.54 -0.69 0.00 0.00 174.62 175.44 1jjj s VAL 86 N 1.10 4.65 -0.44 3.82 0.11 -0.64 -2.26 120.40 126.73 1jjj s VAL 86 Ca 0.00 1.98 -0.18 0.00 -2.93 0.00 0.00 61.98 60.85 1jjj s VAL 86 Cb -0.19 -4.27 0.03 0.00 -1.53 0.00 0.00 36.38 30.41 1jjj s VAL 86 CO -0.08 -0.15 0.51 0.00 -3.33 0.00 0.00 175.10 172.05 1jjj s ASN 88 N 1.97 1.16 -0.01 0.00 4.22 -0.40 -0.42 114.94 121.46 1jjj s ASN 88 Ca 0.15 -0.06 -0.24 0.00 -2.14 0.00 0.00 52.86 50.57 1jjj s ASN 88 Cb -0.17 -0.36 -0.05 0.00 1.28 0.00 0.00 41.25 41.96 1jjj s ASN 88 CO 0.15 -0.15 0.72 0.12 -2.04 0.00 0.00 177.10 175.90 1jjj s PHE 89 N 1.58 3.66 0.01 1.54 2.19 -1.26 -0.82 117.98 124.88 1jjj s PHE 89 Ca -0.01 1.35 0.00 0.00 0.33 0.00 0.00 56.93 58.60 1jjj s PHE 89 Cb -0.13 -2.79 -0.01 0.00 -1.31 0.00 0.00 43.02 38.78 1jjj s PHE 89 CO -0.03 0.20 -0.01 -0.08 1.83 0.00 0.00 175.22 177.13 1jjj s THR 90 N 0.29 0.05 -1.37 0.12 -1.32 -0.32 -4.98 115.64 108.11 1jjj s THR 90 Ca 0.38 -0.33 -0.05 0.00 -1.21 0.00 0.00 61.69 60.48 1jjj s THR 90 Cb -0.19 -0.11 0.01 0.00 -1.51 0.00 0.00 72.50 70.70 1jjj s THR 90 CO 0.20 -0.17 0.60 0.47 -2.21 0.00 0.00 174.62 173.51 1jjj n ASP 91 N 2.56 -5.69 -1.38 8.08 9.92 -1.26 -1.32 116.55 127.46 1jjj n ASP 91 Ca -0.16 -0.28 -0.12 0.00 -0.53 0.00 0.00 54.79 53.69 1jjj n ASP 91 Cb 0.58 -4.49 -0.01 0.00 -0.64 0.00 0.00 41.12 36.56 1jjj n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjj n GLY 92 N -1.49 -0.01 3.19 0.44 0.00 -1.26 -4.93 105.19 101.13 1jjj n GLY 92 Ca -0.09 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 1jjj n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjj s ALA 93 N -2.61 -0.81 -0.34 4.61 0.00 -0.43 -2.43 121.76 119.75 1jjj s ALA 93 Ca 0.00 1.12 -0.22 0.00 0.00 0.00 0.00 51.96 52.86 1jjj s ALA 93 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1jjj s ALA 93 CO 0.00 -0.20 0.75 -1.17 0.00 0.00 0.00 175.76 175.14 1jjj s LEU 94 N 0.84 4.14 -0.47 0.00 2.96 -0.68 -1.18 118.68 124.28 1jjj s LEU 94 Ca -0.05 0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 54.06 1jjj s LEU 94 Cb -0.06 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.68 1jjj s LEU 94 CO -0.06 -0.65 0.66 -0.69 -1.32 0.00 0.00 176.35 174.28 1jjj s VAL 95 N 2.95 4.81 -0.88 1.68 1.01 -0.00 -1.05 120.40 128.92 1jjj s VAL 95 Ca 0.30 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1jjj s VAL 95 Cb -0.14 -4.26 0.17 0.00 0.00 0.00 0.00 36.38 32.15 1jjj s VAL 95 CO 0.15 -0.71 0.96 -1.58 0.00 0.00 0.00 175.10 173.91 1jjj s GLN 96 N 2.84 3.60 -0.48 2.72 0.74 -0.63 -1.27 119.66 127.17 1jjj s GLN 96 Ca 0.20 -2.09 -0.22 0.00 0.05 0.00 0.00 55.36 53.31 1jjj s GLN 96 Cb -0.16 -4.68 0.04 0.00 1.10 0.00 0.00 33.01 29.30 1jjj s GLN 96 CO 0.16 -1.55 0.76 -1.58 -0.55 0.00 0.00 175.29 172.54 1jjj s HIS 97 N 1.51 2.97 -0.16 1.67 2.46 -0.31 -1.55 115.29 121.87 1jjj s HIS 97 Ca 0.26 -0.07 -0.05 0.00 0.47 0.00 0.00 55.06 55.67 1jjj s HIS 97 Cb -0.07 -3.66 -0.03 0.00 -0.13 0.00 0.00 32.58 28.68 1jjj s HIS 97 CO -0.09 -1.06 0.01 1.14 -2.47 0.00 0.00 174.74 172.27 1jjj s GLN 98 N 3.21 3.77 -0.08 2.88 -2.07 0.80 -1.63 119.66 126.55 1jjj s GLN 98 Ca 0.25 -0.44 0.01 0.00 -1.82 0.00 0.00 55.36 53.37 1jjj s GLN 98 Cb -0.14 -3.04 0.02 0.00 -1.09 0.00 0.00 33.01 28.76 1jjj s GLN 98 CO 0.19 0.28 -0.10 -1.21 -1.32 0.00 0.00 175.29 173.13 1jjj s GLU 99 N 0.29 1.59 -0.18 9.60 2.02 -0.92 -1.39 118.70 129.71 1jjj s GLU 99 Ca -0.00 -0.35 -0.13 0.00 0.02 0.00 0.00 54.97 54.50 1jjj s GLU 99 Cb -0.13 -1.41 0.05 0.00 0.10 0.00 0.00 34.13 32.74 1jjj s GLU 99 CO 0.02 -0.05 0.46 1.67 0.02 0.00 0.00 175.26 177.38 1jjj s TRP 100 N 0.94 -0.60 -1.45 1.61 -2.14 -0.19 -0.16 118.94 116.95 1jjj s TRP 100 Ca -0.09 1.35 -0.03 0.00 2.66 0.00 0.00 56.10 59.99 1jjj s TRP 100 Cb -0.15 0.26 0.02 0.00 -3.10 0.00 0.00 33.47 30.50 1jjj s TRP 100 CO 0.00 -0.31 0.49 -3.47 -2.66 0.00 0.00 176.95 171.00 1jjj n ASP 101 N 3.57 -0.87 -1.07 -2.66 2.03 -1.26 -0.74 116.55 115.55 1jjj n ASP 101 Ca -0.18 -1.00 -0.14 0.00 0.52 0.00 0.00 54.79 53.99 1jjj n ASP 101 Cb 0.56 -3.05 -0.06 0.00 -0.72 0.00 0.00 41.12 37.85 1jjj n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 102 N -1.90 1.43 2.92 0.27 0.00 -1.26 -5.03 105.19 101.62 1jjj n GLY 102 Ca -0.25 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1jjj n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 103 N -3.13 0.40 0.02 1.61 1.02 0.08 -5.17 119.74 114.58 1jjj s LYS 103 Ca 0.00 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 55.93 1jjj s LYS 103 Cb 0.00 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 36.86 1jjj s LYS 103 CO 0.00 0.04 -0.16 -1.83 -0.92 0.00 0.00 175.35 172.48 1jjj s GLU 104 N 0.20 1.10 0.19 1.68 -1.05 -1.26 -1.02 118.70 118.54 1jjj s GLU 104 Ca -0.02 -0.72 0.03 0.00 -0.15 0.00 0.00 54.97 54.10 1jjj s GLU 104 Cb -0.05 -1.11 -0.05 0.00 -0.44 0.00 0.00 34.13 32.47 1jjj s GLU 104 CO -0.00 0.29 -0.01 0.45 0.95 0.00 0.00 175.26 176.94 1jjj s SER 105 N -0.91 1.49 -0.04 0.83 0.15 -0.49 -3.49 113.70 111.24 1jjj s SER 105 Ca 0.04 -1.18 -0.03 0.00 0.70 0.00 0.00 55.95 55.47 1jjj s SER 105 Cb -0.07 0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 1jjj s SER 105 CO 0.01 -0.53 0.10 0.28 1.20 0.00 0.00 173.24 174.30 1jjj s THR 106 N -3.54 -0.00 -0.45 6.45 -1.32 -0.38 -0.14 115.64 116.25 1jjj s THR 106 Ca 0.25 0.02 -0.11 0.00 -1.21 0.00 0.00 61.69 60.64 1jjj s THR 106 Cb 0.06 -0.15 0.09 0.00 -1.51 0.00 0.00 72.50 70.99 1jjj s THR 106 CO 0.06 0.01 0.33 -0.63 -2.21 0.00 0.00 174.62 172.17 1jjj s ILE 107 N 0.15 4.49 -0.52 5.08 -1.09 -0.59 -1.73 121.20 126.98 1jjj s ILE 107 Ca -0.01 -1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 56.80 1jjj s ILE 107 Cb -0.02 -3.80 0.10 0.00 -1.58 0.00 0.00 42.46 37.17 1jjj s ILE 107 CO -0.00 -0.62 0.49 -0.89 -1.23 0.00 0.00 174.94 172.69 1jjj s THR 108 N 1.46 5.16 -0.73 2.92 2.01 -0.18 -1.61 115.64 124.68 1jjj s THR 108 Ca 0.04 -1.25 -0.18 0.00 0.31 0.00 0.00 61.69 60.61 1jjj s THR 108 Cb -0.25 -4.28 0.13 0.00 0.01 0.00 0.00 72.50 68.11 1jjj s THR 108 CO 0.02 -0.80 0.84 -0.13 -0.69 0.00 0.00 174.62 173.87 1jjj s ARG 109 N 1.78 3.29 -0.14 4.92 0.52 -0.21 -1.17 118.95 127.94 1jjj s ARG 109 Ca 0.05 -1.61 -0.06 0.00 -0.52 0.00 0.00 55.73 53.60 1jjj s ARG 109 Cb -0.27 -4.46 -0.04 0.00 0.52 0.00 0.00 34.95 30.70 1jjj s ARG 109 CO 0.05 -1.58 0.06 -1.59 0.02 0.00 0.00 175.30 172.26 1jjj s LYS 110 N 2.33 3.56 -0.46 3.54 -2.85 -0.79 -1.69 119.74 123.37 1jjj s LYS 110 Ca 0.19 -0.33 -0.29 0.00 -1.00 0.00 0.00 55.97 54.54 1jjj s LYS 110 Cb -0.16 -3.07 0.02 0.00 -2.06 0.00 0.00 37.83 32.56 1jjj s LYS 110 CO -0.00 0.50 1.25 -1.17 0.10 0.00 0.00 175.35 176.04 1jjj s LEU 111 N -0.29 3.60 -0.09 2.77 1.98 -1.02 -0.89 118.68 124.75 1jjj s LEU 111 Ca 0.08 0.58 -0.04 0.00 -2.89 0.00 0.00 54.13 51.87 1jjj s LEU 111 Cb -0.12 -3.52 0.04 0.00 0.66 0.00 0.00 46.19 43.25 1jjj s LEU 111 CO 0.02 -1.35 0.19 -0.75 -1.89 0.00 0.00 176.35 172.57 1jjj s LYS 112 N 4.70 0.13 -1.32 1.98 2.20 -0.08 -4.97 119.74 122.39 1jjj s LYS 112 Ca 0.53 0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 56.53 1jjj s LYS 112 Cb -0.10 -0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.07 1jjj s LYS 112 CO 0.32 -0.18 1.16 -0.25 -0.36 0.00 0.00 175.35 176.03 1jjj n ASP 113 N 4.36 -6.03 0.00 1.43 8.00 -1.26 -2.13 116.55 120.93 1jjj n ASP 113 Ca -0.23 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1jjj n ASP 113 Cb 0.52 -4.96 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jjj n GLY 114 N -1.93 2.91 3.32 0.44 0.00 -1.26 -5.03 105.19 103.63 1jjj n GLY 114 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1jjj n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj s LYS 115 N -0.08 1.40 -0.33 1.61 1.02 -0.90 -4.80 119.74 117.65 1jjj s LYS 115 Ca 0.00 -1.75 -0.22 0.00 0.02 0.00 0.00 55.97 54.02 1jjj s LYS 115 Cb 0.00 -0.33 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 1jjj s LYS 115 CO 0.00 -0.26 0.74 -1.17 -0.92 0.00 0.00 175.35 173.74 1jjj s LEU 116 N -3.31 4.13 -0.43 3.17 2.96 -0.27 -0.90 118.68 124.03 1jjj s LEU 116 Ca 0.36 0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 54.58 1jjj s LEU 116 Cb 0.08 -2.98 0.03 0.00 0.50 0.00 0.00 46.19 43.82 1jjj s LEU 116 CO 0.13 -0.62 0.36 -0.69 -1.32 0.00 0.00 176.35 174.21 1jjj s VAL 117 N 2.90 5.20 -0.61 1.68 1.01 -0.06 -0.94 120.40 129.58 1jjj s VAL 117 Ca 0.30 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1jjj s VAL 117 Cb -0.14 -4.01 0.16 0.00 0.00 0.00 0.00 36.38 32.39 1jjj s VAL 117 CO 0.14 -0.41 0.54 -0.69 0.00 0.00 0.00 175.10 174.68 1jjj s VAL 118 N 1.81 4.99 -0.64 2.92 1.01 -0.03 -1.89 120.40 128.57 1jjj s VAL 118 Ca 0.07 -1.95 -0.23 0.00 0.00 0.00 0.00 61.98 59.87 1jjj s VAL 118 Cb -0.20 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.06 1jjj s VAL 118 CO 0.10 -0.89 0.97 -1.61 0.00 0.00 0.00 175.10 173.67 1jjj s GLU 119 N 1.02 3.15 -0.37 2.72 2.02 -0.32 -0.87 118.70 126.04 1jjj s GLU 119 Ca 0.09 -0.72 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 1jjj s GLU 119 Cb -0.23 -4.20 0.05 0.00 0.10 0.00 0.00 34.13 29.85 1jjj s GLU 119 CO -0.02 -1.78 0.18 0.00 0.02 0.00 0.00 175.26 173.66 1jjj s VAL 121 N 1.44 1.76 -0.34 0.00 0.11 -0.71 -1.12 120.40 121.56 1jjj s VAL 121 Ca 0.01 -0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 58.10 1jjj s VAL 121 Cb -0.20 -1.48 0.07 0.00 -1.53 0.00 0.00 36.38 33.23 1jjj s VAL 121 CO 0.04 0.50 0.07 -0.32 -3.33 0.00 0.00 175.10 172.05 1jjj s MET 122 N -0.30 2.29 0.00 1.54 1.75 -1.00 -1.24 119.30 122.33 1jjj s MET 122 Ca 0.03 -1.44 0.00 0.00 -1.25 0.00 0.00 55.69 53.03 1jjj s MET 122 Cb -0.11 -3.33 0.00 0.00 2.84 0.00 0.00 34.83 34.24 1jjj s MET 122 CO 0.01 -0.77 0.00 0.09 -0.65 0.00 0.00 175.02 173.70 1jjj n ASN 123 N 4.62 0.00 0.00 1.11 5.03 -1.23 -1.40 115.26 123.39 1jjj n ASN 123 Ca -0.09 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.36 1jjj n ASN 123 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 1jjj n ASN 123 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1jjj n ASN 124 N 2.65 0.50 -4.43 6.41 3.02 -1.26 -5.06 115.26 117.10 1jjj n ASN 124 Ca 0.00 -0.80 -0.44 0.00 -0.03 0.00 0.00 54.58 53.31 1jjj n ASN 124 Cb 0.00 0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jjj s VAL 125 N -0.23 4.49 -0.25 2.41 1.01 -0.49 -5.02 120.40 122.32 1jjj s VAL 125 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 1jjj s VAL 125 Cb 0.00 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.71 1jjj s VAL 125 CO 0.00 -1.34 0.20 0.42 0.00 0.00 0.00 175.10 174.38 1jjj s THR 126 N 3.60 5.32 -0.16 3.92 -4.23 -1.26 -2.39 115.64 120.44 1jjj s THR 126 Ca 0.19 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.88 1jjj s THR 126 Cb -0.19 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1jjj s THR 126 CO 0.09 0.30 0.07 0.00 -0.54 0.00 0.00 174.62 174.55 1jjj s THR 128 N -0.05 4.26 -0.35 0.00 2.01 -0.23 -1.01 115.64 120.27 1jjj s THR 128 Ca 0.07 -1.66 -0.17 0.00 0.31 0.00 0.00 61.69 60.24 1jjj s THR 128 Cb -0.12 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 1jjj s THR 128 CO 0.01 -0.70 0.46 -0.13 -0.69 0.00 0.00 174.62 173.57 1jjj s ARG 129 N 1.39 3.57 -0.18 4.92 0.52 -0.05 -1.59 118.95 127.52 1jjj s ARG 129 Ca 0.05 -0.29 -0.22 0.00 -0.52 0.00 0.00 55.73 54.76 1jjj s ARG 129 Cb -0.25 -3.82 -0.02 0.00 0.52 0.00 0.00 34.95 31.37 1jjj s ARG 129 CO 0.00 -0.62 0.67 0.42 0.02 0.00 0.00 175.30 175.79 1jjj s ILE 130 N 2.26 5.00 -0.14 1.52 -1.09 -0.10 -0.85 121.20 127.80 1jjj s ILE 130 Ca 0.16 1.28 0.01 0.00 -2.23 0.00 0.00 60.65 59.87 1jjj s ILE 130 Cb -0.16 -3.98 0.02 0.00 -1.58 0.00 0.00 42.46 36.76 1jjj s ILE 130 CO 0.13 0.11 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.48 1jjj s TYR 131 N 1.83 2.21 -0.02 3.97 2.02 -0.11 -1.36 117.35 125.87 1jjj s TYR 131 Ca 0.31 -1.17 -0.08 0.00 -0.37 0.00 0.00 57.07 55.76 1jjj s TYR 131 Cb -0.16 -1.59 -0.05 0.00 -0.40 0.00 0.00 41.96 39.77 1jjj s TYR 131 CO 0.11 -0.61 0.27 -1.83 -1.57 0.00 0.00 175.55 171.92 1jjj s GLU 132 N 1.22 3.62 -0.27 -0.62 -1.05 -0.19 -1.11 118.70 120.29 1jjj s GLU 132 Ca -0.00 0.01 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 1jjj s GLU 132 Cb -0.14 -3.13 0.01 0.00 -0.44 0.00 0.00 34.13 30.43 1jjj s GLU 132 CO -0.07 0.68 1.13 0.21 0.95 0.00 0.00 175.26 178.17 1jjj s LYS 133 N -1.46 4.11 -0.73 -4.83 2.20 -1.26 -0.74 119.74 117.03 1jjj s LYS 133 Ca 0.24 1.26 0.03 0.00 -0.36 0.00 0.00 55.97 57.14 1jjj s LYS 133 Cb -0.14 -3.74 0.18 0.00 -1.51 0.00 0.00 37.83 32.62 1jjj s LYS 133 CO 0.13 -0.84 0.54 0.08 -0.36 0.00 0.00 175.35 174.89 1jjj s VAL 134 N 3.64 3.28 0.00 4.02 1.01 0.29 -4.99 120.40 127.66 1jjj s VAL 134 Ca 0.48 -4.01 0.00 0.00 0.00 0.00 0.00 61.98 58.46 1jjj s VAL 134 Cb -0.15 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1jjj s VAL 134 CO 0.14 -1.00 0.00 -1.84 0.00 0.00 0.00 175.10 172.41