#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 1.74 -0.04 2.28 3.14 -1.26 -4.01 118.33 120.18 1jjj n VAL 4 Ca 0.00 -0.42 -0.09 0.00 -2.96 0.00 0.00 64.34 60.87 1jjj n VAL 4 Cb 0.00 -1.42 -0.03 0.00 -1.06 0.00 0.00 33.84 31.33 1jjj n VAL 4 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jjj n GLN 5 N 1.50 0.20 0.21 1.45 6.02 -1.26 -4.60 117.38 120.90 1jjj n GLN 5 Ca 0.00 0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.18 1jjj n GLN 5 Cb 0.45 -0.92 0.69 0.00 1.02 0.00 0.00 30.24 31.47 1jjj n GLN 5 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1jjj h GLN 6 N -0.23 0.00 0.00 -1.09 7.50 -2.03 -1.87 115.11 117.39 1jjj h GLN 6 Ca -0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.93 1jjj h GLN 6 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.76 1jjj h GLN 6 CO -0.11 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 178.50 1jjj n LEU 7 N -4.41 0.42 -4.74 1.46 4.77 -1.26 -4.88 117.00 108.36 1jjj n LEU 7 Ca -0.01 0.63 -0.41 0.00 -0.03 0.00 0.00 56.01 56.20 1jjj n LEU 7 Cb 0.19 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1jjj n LEU 7 CO 0.34 -0.57 0.83 -0.70 -1.33 0.00 0.00 177.39 175.96 1jjj s GLU 8 N -3.26 4.56 0.00 3.23 -6.30 -0.71 -4.77 118.70 111.45 1jjj s GLU 8 Ca 0.03 1.79 0.00 0.00 -2.50 0.00 0.00 54.97 54.29 1jjj s GLU 8 Cb 0.08 -3.25 0.00 0.00 0.00 0.00 0.00 34.13 30.96 1jjj s GLU 8 CO 0.28 0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1jjj n GLY 9 N 1.97 -0.74 3.58 -1.50 0.00 -0.36 -4.98 105.19 103.16 1jjj n GLY 9 Ca 0.03 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.49 3.78 -0.25 1.61 3.52 -1.26 -0.90 118.95 123.96 1jjj s ARG 10 Ca 0.00 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.69 1jjj s ARG 10 Cb 0.00 -3.76 0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1jjj s ARG 10 CO 0.00 -0.59 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.27 1jjj s TRP 11 N 2.48 2.73 -0.15 5.12 0.52 -0.16 -0.85 118.94 128.63 1jjj s TRP 11 Ca 0.22 -2.03 -0.15 0.00 0.02 0.00 0.00 56.10 54.16 1jjj s TRP 11 Cb -0.15 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 1jjj s TRP 11 CO 0.12 -0.82 0.35 0.50 0.02 0.00 0.00 176.95 177.12 1jjj s ARG 12 N 1.28 4.27 0.08 4.98 3.52 0.01 -0.44 118.95 132.65 1jjj s ARG 12 Ca -0.04 0.20 -0.31 0.00 -0.13 0.00 0.00 55.73 55.45 1jjj s ARG 12 Cb -0.19 -3.44 -0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1jjj s ARG 12 CO -0.07 0.19 1.70 -1.17 -0.81 0.00 0.00 175.30 175.14 1jjj s LEU 13 N 0.60 4.37 0.00 -0.88 2.96 -0.89 -1.02 118.68 123.82 1jjj s LEU 13 Ca 0.19 2.54 -0.03 0.00 -0.22 0.00 0.00 54.13 56.62 1jjj s LEU 13 Cb -0.14 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 1jjj s LEU 13 CO 0.06 -0.92 -0.05 1.33 -1.32 0.00 0.00 176.35 175.45 1jjj n VAL 14 N 4.77 0.54 -3.95 1.68 0.24 -0.09 -4.78 118.33 116.74 1jjj n VAL 14 Ca 0.16 0.23 -0.32 0.00 -2.04 0.00 0.00 64.34 62.37 1jjj n VAL 14 Cb 0.40 -1.45 -0.05 0.00 -1.47 0.00 0.00 33.84 31.28 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 -5.18 6.18 -0.47 -1.34 2.15 -1.23 -4.98 116.67 111.79 1jjj s ASP 15 Ca -0.04 0.25 0.03 0.00 0.43 0.00 0.00 52.55 53.22 1jjj s ASP 15 Cb 0.01 -1.88 0.16 0.00 -0.30 0.00 0.00 42.92 40.91 1jjj s ASP 15 CO 0.06 0.21 0.34 -0.94 -0.17 0.00 0.00 175.17 174.67 1jjj s SER 16 N -2.21 2.77 -0.71 -0.34 1.04 -1.26 -0.70 113.70 112.29 1jjj s SER 16 Ca 0.30 -3.06 -0.20 0.00 0.48 0.00 0.00 55.95 53.48 1jjj s SER 16 Cb -0.13 -0.81 0.10 0.00 0.10 0.00 0.00 66.02 65.29 1jjj s SER 16 CO 0.22 -0.19 0.91 -0.75 0.98 0.00 0.00 173.24 174.42 1jjj s LYS 17 N -0.10 3.24 0.00 4.02 2.20 -0.71 -3.57 119.74 124.81 1jjj s LYS 17 Ca 0.27 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1jjj s LYS 17 Cb -0.06 -4.43 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 1jjj s LYS 17 CO -0.13 -1.69 0.00 0.41 -0.36 0.00 0.00 175.35 173.58 1jjj n GLY 18 N 5.28 0.89 0.11 5.54 0.00 -1.26 -2.17 105.19 113.58 1jjj n GLY 18 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1jjj n GLY 18 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jjj h PHE 19 N 0.00 0.29 -0.69 1.61 3.57 -1.87 -2.43 116.94 117.42 1jjj h PHE 19 Ca 0.00 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.47 1jjj h PHE 19 Cb 0.00 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 1jjj h PHE 19 CO 0.00 0.75 0.37 0.22 -2.23 0.00 0.00 178.31 177.42 1jjj h ASP 20 N -0.25 0.53 -0.52 0.41 3.58 -1.96 -2.43 116.42 115.77 1jjj h ASP 20 Ca 0.00 0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.58 1jjj h ASP 20 Cb 0.73 -0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.65 1jjj h ASP 20 CO 0.03 0.33 0.13 -0.33 -2.88 0.00 0.00 179.24 176.52 1jjj h GLU 21 N 0.66 0.27 -0.02 0.28 4.39 -1.97 0.10 114.58 118.29 1jjj h GLU 21 Ca 0.32 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.04 1jjj h GLU 21 Cb 0.26 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1jjj h GLU 21 CO -0.21 0.18 -0.28 -0.92 -1.16 0.00 0.00 179.01 176.61 1jjj h TYR 22 N 0.28 -0.77 0.00 4.33 3.20 -1.24 -1.19 116.97 121.58 1jjj h TYR 22 Ca 0.26 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 1jjj h TYR 22 Cb 0.34 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1jjj h TYR 22 CO -0.21 -0.38 -0.35 0.00 -1.64 0.00 0.00 178.16 175.59 1jjj h MET 23 N -0.42 0.00 -0.15 1.82 -0.00 -1.30 -0.31 114.93 114.58 1jjj h MET 23 Ca 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.81 1jjj h MET 23 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.07 1jjj h MET 23 CO -0.26 0.35 -0.16 0.87 -0.00 0.00 0.00 176.91 177.70 1jjj h LYS 24 N 0.00 -0.19 -0.83 -0.10 1.57 -0.80 -2.32 116.57 113.90 1jjj h LYS 24 Ca -0.00 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1jjj h LYS 24 Cb 0.74 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1jjj h LYS 24 CO 0.05 -0.13 0.50 1.49 -0.57 0.00 0.00 179.45 180.78 1jjj h GLU 25 N -0.20 1.13 -0.21 3.15 4.57 -0.83 -2.95 114.58 119.25 1jjj h GLU 25 Ca 0.10 -0.10 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1jjj h GLU 25 Cb 0.34 -0.24 -0.06 0.00 -0.16 0.00 0.00 28.75 28.63 1jjj h GLU 25 CO -0.26 0.80 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.09 1jjj h LEU 26 N 1.15 -0.65 0.00 1.64 3.38 -1.10 -3.48 115.31 116.25 1jjj h LEU 26 Ca 0.30 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1jjj h LEU 26 Cb -0.04 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jjj h LEU 26 CO -0.06 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 178.84 1jjj n GLY 27 N -1.35 0.75 3.05 0.83 0.00 -0.90 -5.11 105.19 102.47 1jjj n GLY 27 Ca -0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.35 1.26 0.89 1.61 1.01 -1.03 -5.05 120.40 117.74 1jjj s VAL 28 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1jjj s VAL 28 Cb 0.00 -1.13 0.13 0.00 0.00 0.00 0.00 36.38 35.38 1jjj s VAL 28 CO 0.00 0.38 1.09 -0.83 0.00 0.00 0.00 175.10 175.74 1jjj s GLY 29 N 0.57 1.62 0.16 4.51 0.00 -1.26 -4.68 107.32 108.25 1jjj s GLY 29 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 44.72 44.43 1jjj s GLY 29 CO 0.04 0.48 1.75 0.16 0.00 0.00 0.00 173.10 175.53 1jjj h ILE 30 N -1.56 0.88 -0.87 0.90 3.07 -2.01 0.65 117.51 118.57 1jjj h ILE 30 Ca -0.49 -0.10 -0.01 0.00 1.55 0.00 0.00 64.86 65.82 1jjj h ILE 30 Cb 1.28 0.57 -0.04 0.00 -0.27 0.00 0.00 36.82 38.36 1jjj h ILE 30 CO 0.53 0.05 0.52 0.00 -1.05 0.00 0.00 178.15 178.21 1jjj h ALA 31 N 1.25 1.11 -0.54 0.16 0.00 -1.99 -0.46 119.26 118.78 1jjj h ALA 31 Ca 0.18 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1jjj h ALA 31 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jjj h ALA 31 CO -0.18 0.57 -0.12 -0.07 0.00 0.00 0.00 179.25 179.45 1jjj h LEU 32 N 1.19 1.04 -0.45 0.00 3.38 -1.85 -0.92 115.31 117.71 1jjj h LEU 32 Ca 0.31 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1jjj h LEU 32 Cb -0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1jjj h LEU 32 CO -0.06 1.15 0.21 0.03 0.09 0.00 0.00 178.44 179.86 1jjj h ARG 33 N 0.91 0.40 -0.32 1.13 3.08 -0.84 -3.14 114.38 115.60 1jjj h ARG 33 Ca 0.14 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1jjj h ARG 33 Cb 0.69 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1jjj h ARG 33 CO 0.05 0.27 0.05 -0.22 -1.07 0.00 0.00 179.97 179.05 1jjj h LYS 34 N 0.41 0.16 -2.45 0.04 1.63 -1.05 0.51 116.57 115.82 1jjj h LYS 34 Ca 0.20 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.82 1jjj h LYS 34 Cb 0.13 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.69 1jjj h LYS 34 CO -0.16 0.10 0.29 -1.33 -3.45 0.00 0.00 179.45 174.90 1jjj n MET 35 N -5.10 1.51 0.10 1.90 2.81 -0.35 -3.22 117.12 114.76 1jjj n MET 35 Ca 0.01 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1jjj n MET 35 Cb 0.15 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 30.73 1jjj n MET 35 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jjj n GLY 36 N 2.80 -1.68 0.14 3.03 0.00 -1.12 -4.72 105.19 103.64 1jjj n GLY 36 Ca 0.32 0.51 -0.07 0.00 0.00 0.00 0.00 46.02 46.79 1jjj n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jjj h ALA 37 N 0.00 0.36 -0.01 4.61 0.00 -1.02 -3.25 119.26 119.95 1jjj h ALA 37 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jjj h ALA 37 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jjj h ALA 37 CO 0.00 -0.28 -0.52 0.00 0.00 0.00 0.00 179.25 178.44 1jjj n MET 38 N -5.02 0.65 -2.64 0.00 0.00 -1.20 -4.86 117.12 104.05 1jjj n MET 38 Ca -0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 57.70 56.80 1jjj n MET 38 Cb 0.11 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 31.81 1jjj n MET 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jjj s ALA 39 N -2.68 3.21 -0.60 3.17 0.00 -1.23 -5.02 121.76 118.61 1jjj s ALA 39 Ca 0.17 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1jjj s ALA 39 Cb 0.18 -3.82 0.16 0.00 0.00 0.00 0.00 23.12 19.63 1jjj s ALA 39 CO 0.64 -2.12 0.43 0.15 0.00 0.00 0.00 175.76 174.86 1jjj s LYS 40 N 4.24 2.60 0.48 0.00 1.02 -1.26 -4.62 119.74 122.20 1jjj s LYS 40 Ca 0.46 -2.31 -0.11 0.00 0.02 0.00 0.00 55.97 54.03 1jjj s LYS 40 Cb -0.08 -3.83 -0.06 0.00 -0.52 0.00 0.00 37.83 33.34 1jjj s LYS 40 CO 0.29 -1.18 0.86 -1.25 -0.92 0.00 0.00 175.35 173.15 1jjj s PRO 41 N 0.35 3.75 -0.80 -1.68 0.04 -1.26 -4.55 135.00 130.85 1jjj s PRO 41 Ca 0.14 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.51 1jjj s PRO 41 Cb -0.20 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.11 1jjj s PRO 41 CO -0.04 -0.20 1.25 -0.51 0.04 0.00 0.00 177.00 177.54 1jjj s ASP 42 N -3.46 6.27 -0.52 6.66 1.11 -0.28 -2.10 116.67 124.36 1jjj s ASP 42 Ca 0.53 -0.89 -0.24 0.00 0.18 0.00 0.00 52.55 52.12 1jjj s ASP 42 Cb -0.10 -2.52 0.04 0.00 1.07 0.00 0.00 42.92 41.40 1jjj s ASP 42 CO 0.37 -1.63 0.91 0.00 1.18 0.00 0.00 175.17 176.00 1jjj s ILE 44 N 3.81 4.75 -0.42 0.00 1.01 0.01 -0.99 121.20 129.36 1jjj s ILE 44 Ca 0.31 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 1jjj s ILE 44 Cb -0.12 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 38.03 1jjj s ILE 44 CO 0.21 -0.84 0.45 -0.63 0.00 0.00 0.00 174.94 174.13 1jjj s ILE 45 N 2.99 5.07 -0.20 2.92 1.01 -0.08 -1.12 121.20 131.79 1jjj s ILE 45 Ca 0.20 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 1jjj s ILE 45 Cb -0.16 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 1jjj s ILE 45 CO 0.15 -0.43 -0.03 0.28 0.00 0.00 0.00 174.94 174.91 1jjj s THR 46 N 2.17 3.63 -0.49 2.92 -1.32 -0.38 -1.23 115.64 120.94 1jjj s THR 46 Ca 0.13 -0.42 0.01 0.00 -1.21 0.00 0.00 61.69 60.19 1jjj s THR 46 Cb -0.17 -2.63 0.13 0.00 -1.51 0.00 0.00 72.50 68.32 1jjj s THR 46 CO 0.14 0.44 0.25 0.00 -2.21 0.00 0.00 174.62 173.24 1jjj n ASP 48 N 3.75 5.29 0.00 0.00 2.03 -0.68 -4.92 116.55 122.02 1jjj n ASP 48 Ca 0.04 -3.08 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1jjj n ASP 48 Cb 0.38 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 1jjj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjj n GLY 49 N 3.16 1.01 0.17 0.27 0.00 -1.26 -2.69 105.19 105.86 1jjj n GLY 49 Ca 0.36 0.49 -0.24 0.00 0.00 0.00 0.00 46.02 46.64 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 0.57 -2.46 1.61 5.02 -1.26 -4.92 118.16 116.72 1jjj n LYS 50 Ca 0.00 0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 56.07 1jjj n LYS 50 Cb 0.00 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 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 -6.97 6.76 -0.17 4.39 4.22 -1.09 -0.91 114.94 121.17 1jjj s ASN 51 Ca -0.35 1.25 -0.02 0.00 -2.14 0.00 0.00 52.86 51.61 1jjj s ASN 51 Cb 0.12 -2.54 0.05 0.00 1.28 0.00 0.00 41.25 40.16 1jjj s ASN 51 CO 0.49 -0.99 -0.00 -0.22 -2.04 0.00 0.00 177.10 174.34 1jjj s LEU 52 N 4.10 1.39 -0.21 3.54 0.20 -0.03 -1.69 118.68 125.98 1jjj s LEU 52 Ca 0.54 -0.72 -0.07 0.00 0.69 0.00 0.00 54.13 54.56 1jjj s LEU 52 Cb -0.17 -0.73 -0.04 0.00 -0.43 0.00 0.00 46.19 44.82 1jjj s LEU 52 CO 0.20 -0.25 0.07 -0.89 -0.29 0.00 0.00 176.35 175.19 1jjj s THR 53 N 1.75 4.61 -0.40 3.68 2.01 -0.09 -0.27 115.64 126.94 1jjj s THR 53 Ca -0.00 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1jjj s THR 53 Cb -0.16 -3.11 0.10 0.00 0.01 0.00 0.00 72.50 69.34 1jjj s THR 53 CO -0.07 0.41 0.18 -0.63 -0.69 0.00 0.00 174.62 173.82 1jjj s ILE 54 N 0.85 3.27 -0.43 1.82 1.01 -0.32 -1.25 121.20 126.14 1jjj s ILE 54 Ca 0.04 -1.97 -0.12 0.00 0.00 0.00 0.00 60.65 58.60 1jjj s ILE 54 Cb -0.14 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.20 1jjj s ILE 54 CO 0.02 -0.63 0.30 -0.75 0.00 0.00 0.00 174.94 173.89 1jjj s LYS 55 N 1.16 2.77 -0.47 2.79 2.20 -0.28 -2.39 119.74 125.52 1jjj s LYS 55 Ca 0.07 -1.36 -0.17 0.00 -0.36 0.00 0.00 55.97 54.15 1jjj s LYS 55 Cb -0.22 -3.89 0.06 0.00 -1.51 0.00 0.00 37.83 32.26 1jjj s LYS 55 CO -0.04 -0.94 0.48 0.99 -0.36 0.00 0.00 175.35 175.48 1jjj s THR 56 N 1.52 5.09 -0.53 3.43 2.01 0.73 -0.81 115.64 127.08 1jjj s THR 56 Ca 0.03 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1jjj s THR 56 Cb -0.23 -4.16 0.13 0.00 0.01 0.00 0.00 72.50 68.26 1jjj s THR 56 CO 0.04 -0.61 0.42 -1.61 -0.69 0.00 0.00 174.62 172.18 1jjj s GLU 57 N 2.07 2.70 0.03 4.92 0.41 -0.65 -1.65 118.70 126.53 1jjj s GLU 57 Ca 0.09 -1.85 0.05 0.00 -0.41 0.00 0.00 54.97 52.85 1jjj s GLU 57 Cb -0.21 -4.05 -0.02 0.00 -1.78 0.00 0.00 34.13 28.07 1jjj s GLU 57 CO 0.10 -1.24 -0.16 -1.54 -0.49 0.00 0.00 175.26 171.94 1jjj s SER 58 N 2.75 1.85 0.15 -0.19 1.04 -1.20 -1.12 113.70 116.97 1jjj s SER 58 Ca 0.07 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1jjj s SER 58 Cb -0.25 -0.14 0.02 0.00 0.10 0.00 0.00 66.02 65.74 1jjj s SER 58 CO -0.01 0.08 1.72 0.71 0.98 0.00 0.00 173.24 176.72 1jjj h THR 59 N 4.50 1.19 -0.70 2.02 1.35 -1.97 -2.87 112.91 116.44 1jjj h THR 59 Ca -0.39 -0.53 0.05 0.00 -0.55 0.00 0.00 66.41 64.99 1jjj h THR 59 Cb 1.17 0.72 -0.05 0.00 -1.73 0.00 0.00 68.15 68.25 1jjj h THR 59 CO 0.44 0.20 0.41 -0.07 -0.25 0.00 0.00 175.52 176.25 1jjj h LEU 60 N 0.58 0.62 -7.10 3.87 3.38 -1.97 -3.44 115.31 111.24 1jjj h LEU 60 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1jjj h LEU 60 Cb 0.13 -0.10 -0.24 0.00 0.09 0.00 0.00 40.66 40.53 1jjj h LEU 60 CO -0.02 0.41 -0.21 -0.75 0.09 0.00 0.00 178.44 177.96 1jjj s LYS 61 N -6.09 0.48 -0.03 1.13 2.47 -1.10 -4.99 119.74 111.60 1jjj s LYS 61 Ca -0.13 1.09 0.02 0.00 -1.56 0.00 0.00 55.97 55.39 1jjj s LYS 61 Cb 0.16 0.28 -0.03 0.00 -1.46 0.00 0.00 37.83 36.79 1jjj s LYS 61 CO 0.77 -0.19 -0.08 0.99 0.16 0.00 0.00 175.35 176.99 1jjj s THR 62 N 2.08 3.55 0.06 3.43 2.01 -1.12 -3.25 115.64 122.40 1jjj s THR 62 Ca -0.07 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 1jjj s THR 62 Cb -0.09 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 1jjj s THR 62 CO -0.16 0.51 0.12 0.28 -0.69 0.00 0.00 174.62 174.68 1jjj s THR 63 N -0.87 0.16 -0.06 -0.82 -1.32 -0.66 -4.98 115.64 107.08 1jjj s THR 63 Ca 0.14 -1.28 -0.02 0.00 -1.21 0.00 0.00 61.69 59.32 1jjj s THR 63 Cb -0.11 -1.25 0.04 0.00 -1.51 0.00 0.00 72.50 69.67 1jjj s THR 63 CO 0.04 -0.71 0.12 -1.58 -2.21 0.00 0.00 174.62 170.28 1jjj s GLN 64 N -3.50 0.03 0.02 7.08 -0.44 -1.26 -0.19 119.66 121.40 1jjj s GLN 64 Ca 0.02 0.41 0.08 0.00 -2.50 0.00 0.00 55.36 53.37 1jjj s GLN 64 Cb 0.04 -0.26 -0.03 0.00 -1.64 0.00 0.00 33.01 31.12 1jjj s GLN 64 CO -0.09 -0.23 -0.23 -0.59 0.50 0.00 0.00 175.29 174.65 1jjj s PHE 65 N 1.66 2.42 -0.31 1.67 -0.12 -1.01 -4.91 117.98 117.39 1jjj s PHE 65 Ca -0.03 -0.35 -0.04 0.00 -0.05 0.00 0.00 56.93 56.45 1jjj s PHE 65 Cb -0.12 -1.46 0.04 0.00 -0.63 0.00 0.00 43.02 40.85 1jjj s PHE 65 CO -0.05 0.12 0.04 -1.12 -0.05 0.00 0.00 175.22 174.16 1jjj s SER 66 N -1.08 5.02 0.40 1.98 0.01 -1.26 -1.17 113.70 117.59 1jjj s SER 66 Ca 0.12 -1.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.21 1jjj s SER 66 Cb -0.10 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 1jjj s SER 66 CO 0.02 -0.26 0.69 0.00 0.41 0.00 0.00 173.24 174.09 1jjj s THR 68 N -2.46 3.06 0.14 0.00 2.01 -1.26 -0.85 115.64 116.28 1jjj s THR 68 Ca 0.46 -0.61 -0.31 0.00 0.31 0.00 0.00 61.69 61.54 1jjj s THR 68 Cb -0.10 -2.38 -0.08 0.00 0.01 0.00 0.00 72.50 69.95 1jjj s THR 68 CO 0.38 0.44 1.31 -0.22 -0.69 0.00 0.00 174.62 175.83 1jjj s LEU 69 N 1.43 4.39 0.00 4.42 2.96 -0.09 -2.55 118.68 129.25 1jjj s LEU 69 Ca 0.05 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 1jjj s LEU 69 Cb -0.14 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1jjj s LEU 69 CO -0.06 -0.54 0.00 0.61 -1.32 0.00 0.00 176.35 175.04 1jjj n GLY 70 N 2.92 2.58 3.93 7.98 0.00 0.13 -4.93 105.19 117.80 1jjj n GLY 70 Ca 0.08 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1jjj n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jjj s GLU 71 N 0.00 3.12 -0.47 1.61 8.01 -1.06 -4.62 118.70 125.29 1jjj s GLU 71 Ca 0.00 -0.13 -0.23 0.00 0.01 0.00 0.00 54.97 54.63 1jjj s GLU 71 Cb 0.00 -2.40 0.03 0.00 -4.31 0.00 0.00 34.13 27.45 1jjj s GLU 71 CO 0.00 -0.43 0.79 0.21 0.01 0.00 0.00 175.26 175.85 1jjj s LYS 72 N -4.77 3.36 0.52 1.61 2.20 -1.26 -2.72 119.74 118.67 1jjj s LYS 72 Ca 0.50 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.97 1jjj s LYS 72 Cb -0.10 -3.98 0.05 0.00 -1.51 0.00 0.00 37.83 32.29 1jjj s LYS 72 CO 0.42 -1.19 0.61 -0.59 -0.36 0.00 0.00 175.35 174.24 1jjj s PHE 73 N 3.33 1.88 -0.49 4.03 -0.71 -0.63 -4.80 117.98 120.58 1jjj s PHE 73 Ca 0.28 -0.66 -0.20 0.00 -1.04 0.00 0.00 56.93 55.31 1jjj s PHE 73 Cb -0.13 -2.17 0.04 0.00 -1.21 0.00 0.00 43.02 39.56 1jjj s PHE 73 CO 0.21 -0.74 0.67 -2.00 -1.34 0.00 0.00 175.22 172.02 1jjj s GLU 74 N -4.45 3.20 -0.01 1.99 2.12 -1.26 -0.66 118.70 119.63 1jjj s GLU 74 Ca 0.53 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 1jjj s GLU 74 Cb -0.05 -4.04 -0.03 0.00 0.26 0.00 0.00 34.13 30.26 1jjj s GLU 74 CO 0.32 -1.19 1.02 -2.00 -0.54 0.00 0.00 175.26 172.88 1jjj s GLU 75 N 2.87 4.52 -0.34 4.30 2.12 -0.54 -4.90 118.70 126.72 1jjj s GLU 75 Ca 0.20 1.47 -0.08 0.00 0.36 0.00 0.00 54.97 56.91 1jjj s GLU 75 Cb -0.17 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.79 1jjj s GLU 75 CO 0.15 -0.13 0.14 0.99 -0.54 0.00 0.00 175.26 175.87 1jjj s THR 76 N 1.22 4.10 0.78 -1.70 2.01 -1.26 -1.04 115.64 119.74 1jjj s THR 76 Ca 0.52 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 1jjj s THR 76 Cb -0.22 -3.27 0.06 0.00 0.01 0.00 0.00 72.50 69.08 1jjj s THR 76 CO 0.26 -0.15 1.08 0.42 -0.69 0.00 0.00 174.62 175.55 1jjj s THR 77 N 1.47 3.36 0.26 -0.82 -4.23 -0.67 -4.86 115.64 110.14 1jjj s THR 77 Ca 0.00 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1jjj s THR 77 Cb -0.19 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.80 1jjj s THR 77 CO 0.04 -0.58 1.73 0.00 -0.54 0.00 0.00 174.62 175.27 1jjj h ALA 78 N -1.06 1.16 -0.41 3.99 0.00 -1.93 -2.79 119.26 118.20 1jjj h ALA 78 Ca -0.46 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1jjj h ALA 78 Cb 1.24 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1jjj h ALA 78 CO 0.56 -0.22 -0.04 0.38 0.00 0.00 0.00 179.25 179.94 1jjj h ASP 79 N 0.46 0.66 0.00 0.00 2.03 -1.98 -3.49 116.42 114.10 1jjj h ASP 79 Ca 0.45 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.59 1jjj h ASP 79 Cb 0.71 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1jjj h ASP 79 CO -0.42 0.75 0.00 0.61 -1.03 0.00 0.00 179.24 179.15 1jjj n GLY 80 N -0.66 1.63 3.82 7.15 0.00 -1.05 -5.16 105.19 110.92 1jjj n GLY 80 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 4.08 -0.45 1.61 0.52 -1.26 -4.87 118.95 118.58 1jjj s ARG 81 Ca 0.00 0.60 -0.20 0.00 -0.52 0.00 0.00 55.73 55.61 1jjj s ARG 81 Cb 0.00 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.30 1jjj s ARG 81 CO 0.00 0.64 0.59 0.15 0.02 0.00 0.00 175.30 176.70 1jjj s LYS 82 N -1.20 3.21 -0.21 3.54 -0.14 -1.26 -1.67 119.74 122.01 1jjj s LYS 82 Ca 0.28 -0.54 -0.03 0.00 -1.36 0.00 0.00 55.97 54.32 1jjj s LYS 82 Cb -0.18 -3.98 -0.00 0.00 -1.68 0.00 0.00 37.83 31.99 1jjj s LYS 82 CO 0.17 -1.01 -0.08 0.95 -0.76 0.00 0.00 175.35 174.62 1jjj s THR 83 N 2.64 3.05 -0.67 2.17 -4.23 -0.21 -4.74 115.64 113.65 1jjj s THR 83 Ca 0.19 -0.61 -0.27 0.00 -1.18 0.00 0.00 61.69 59.82 1jjj s THR 83 Cb -0.16 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.30 1jjj s THR 83 CO 0.17 0.44 1.67 -1.10 -0.54 0.00 0.00 174.62 175.26 1jjj s GLN 84 N 1.43 2.82 -0.37 3.99 -1.52 -0.01 -1.47 119.66 124.53 1jjj s GLN 84 Ca 0.05 0.28 -0.06 0.00 -1.95 0.00 0.00 55.36 53.69 1jjj s GLN 84 Cb -0.14 -4.36 0.06 0.00 -0.22 0.00 0.00 33.01 28.36 1jjj s GLN 84 CO -0.06 -2.56 0.15 0.99 -0.25 0.00 0.00 175.29 173.57 1jjj s THR 85 N 7.99 3.71 -0.28 -0.19 2.01 0.17 -2.27 115.64 126.78 1jjj s THR 85 Ca 0.57 -1.41 -0.21 0.00 0.31 0.00 0.00 61.69 60.95 1jjj s THR 85 Cb -0.11 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1jjj s THR 85 CO 0.18 -0.35 0.68 0.54 -0.69 0.00 0.00 174.62 174.97 1jjj s VAL 86 N 1.34 4.92 -0.22 3.82 0.11 -0.75 -1.61 120.40 128.01 1jjj s VAL 86 Ca 0.01 1.09 -0.07 0.00 -2.93 0.00 0.00 61.98 60.08 1jjj s VAL 86 Cb -0.21 -4.02 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1jjj s VAL 86 CO 0.01 -0.09 0.05 0.00 -3.33 0.00 0.00 175.10 171.73 1jjj s ASN 88 N 1.16 1.32 0.02 0.00 0.01 -0.52 0.21 114.94 117.12 1jjj s ASN 88 Ca 0.04 -0.21 -0.24 0.00 -0.71 0.00 0.00 52.86 51.74 1jjj s ASN 88 Cb -0.14 -0.58 -0.05 0.00 0.41 0.00 0.00 41.25 40.89 1jjj s ASN 88 CO 0.03 0.00 0.74 0.12 -1.51 0.00 0.00 177.10 176.48 1jjj s PHE 89 N 0.67 3.70 -0.04 2.20 5.36 -1.26 -0.70 117.98 127.90 1jjj s PHE 89 Ca -0.11 1.40 0.02 0.00 -0.96 0.00 0.00 56.93 57.27 1jjj s PHE 89 Cb -0.14 -2.79 0.02 0.00 -0.34 0.00 0.00 43.02 39.76 1jjj s PHE 89 CO 0.02 0.24 -0.07 -0.08 -1.46 0.00 0.00 175.22 173.87 1jjj s THR 90 N 0.10 0.74 0.00 0.12 -1.32 -0.20 -4.99 115.64 110.09 1jjj s THR 90 Ca 0.38 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 1jjj s THR 90 Cb -0.20 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 1jjj s THR 90 CO 0.21 0.26 0.00 0.47 -2.21 0.00 0.00 174.62 173.35 1jjj n ASP 91 N 3.78 0.00 -2.77 8.08 9.92 -1.26 -1.29 116.55 133.01 1jjj n ASP 91 Ca -0.23 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 53.92 1jjj n ASP 91 Cb 0.52 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.03 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 0.00 1.86 3.46 0.44 0.00 -1.26 -4.94 105.19 104.75 1jjj n GLY 92 Ca 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.48 -1.55 -0.42 4.61 0.00 -0.41 -1.86 121.76 119.64 1jjj s ALA 93 Ca 0.29 1.96 -0.18 0.00 0.00 0.00 0.00 51.96 54.03 1jjj s ALA 93 Cb 0.43 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 22.16 1jjj s ALA 93 CO -0.00 -0.63 0.48 -1.17 0.00 0.00 0.00 175.76 174.45 1jjj s LEU 94 N 2.24 4.72 -0.51 0.00 2.96 -0.39 -1.03 118.68 126.66 1jjj s LEU 94 Ca -0.06 -0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 53.11 1jjj s LEU 94 Cb -0.10 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.17 1jjj s LEU 94 CO -0.16 -0.60 0.71 -0.69 -1.32 0.00 0.00 176.35 174.29 1jjj s VAL 95 N 2.30 4.74 -0.45 1.68 1.01 0.12 -1.11 120.40 128.68 1jjj s VAL 95 Ca 0.15 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1jjj s VAL 95 Cb -0.16 -4.36 0.05 0.00 0.00 0.00 0.00 36.38 31.91 1jjj s VAL 95 CO 0.15 -0.88 0.36 -1.58 0.00 0.00 0.00 175.10 173.15 1jjj s GLN 96 N 3.01 2.98 -0.54 2.72 0.74 -0.10 -1.44 119.66 127.03 1jjj s GLN 96 Ca 0.20 -1.22 -0.17 0.00 0.05 0.00 0.00 55.36 54.21 1jjj s GLN 96 Cb -0.17 -4.08 0.10 0.00 1.10 0.00 0.00 33.01 29.96 1jjj s GLN 96 CO 0.14 -0.93 0.56 -1.58 -0.55 0.00 0.00 175.29 172.94 1jjj s HIS 97 N 1.67 3.14 -0.12 1.67 5.65 -0.35 -1.15 115.29 125.80 1jjj s HIS 97 Ca 0.05 -0.99 -0.26 0.00 0.25 0.00 0.00 55.06 54.10 1jjj s HIS 97 Cb -0.22 -3.69 -0.02 0.00 -1.18 0.00 0.00 32.58 27.47 1jjj s HIS 97 CO 0.08 -1.06 0.86 -0.65 -0.65 0.00 0.00 174.74 173.32 1jjj s GLN 98 N 2.11 4.37 -0.15 2.88 -0.21 -0.03 -1.80 119.66 126.83 1jjj s GLN 98 Ca 0.08 1.11 -0.00 0.00 0.02 0.00 0.00 55.36 56.56 1jjj s GLN 98 Cb -0.25 -3.54 0.03 0.00 1.00 0.00 0.00 33.01 30.25 1jjj s GLN 98 CO 0.06 -0.24 -0.08 -2.00 -2.12 0.00 0.00 175.29 170.92 1jjj s GLU 99 N 1.80 1.63 -0.13 2.91 -6.30 -0.96 -1.91 118.70 115.75 1jjj s GLU 99 Ca 0.41 -0.47 -0.30 0.00 -2.50 0.00 0.00 54.97 52.11 1jjj s GLU 99 Cb -0.17 -1.93 0.10 0.00 0.00 0.00 0.00 34.13 32.13 1jjj s GLU 99 CO 0.16 -0.35 0.86 1.67 0.02 0.00 0.00 175.26 177.62 1jjj s TRP 100 N 1.61 -0.50 -1.61 5.30 -2.14 -0.92 -0.83 118.94 119.84 1jjj s TRP 100 Ca 0.02 0.90 -0.14 0.00 2.66 0.00 0.00 56.10 59.54 1jjj s TRP 100 Cb -0.14 0.42 0.11 0.00 -3.10 0.00 0.00 33.47 30.77 1jjj s TRP 100 CO -0.08 -0.44 0.77 -3.47 -2.66 0.00 0.00 176.95 171.06 1jjj n ASP 101 N 0.94 -3.12 -2.32 -2.66 2.03 -1.26 -0.44 116.55 109.73 1jjj n ASP 101 Ca -0.14 -0.96 -0.20 0.00 0.52 0.00 0.00 54.79 54.01 1jjj n ASP 101 Cb 0.57 -3.08 -0.01 0.00 -0.72 0.00 0.00 41.12 37.89 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 -1.57 -0.47 2.95 0.27 0.00 -1.26 -5.03 105.19 100.08 1jjj n GLY 102 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.02 0.09 -0.08 1.61 1.02 0.41 -5.16 119.74 112.62 1jjj s LYS 103 Ca 0.01 0.14 0.01 0.00 0.02 0.00 0.00 55.97 56.15 1jjj s LYS 103 Cb -0.00 0.01 0.02 0.00 -0.52 0.00 0.00 37.83 37.34 1jjj s LYS 103 CO 0.01 -0.03 -0.10 -1.83 -0.92 0.00 0.00 175.35 172.48 1jjj s GLU 104 N 0.21 1.52 -0.18 1.68 -1.05 -1.26 -2.17 118.70 117.44 1jjj s GLU 104 Ca -0.01 -0.32 0.01 0.00 -0.15 0.00 0.00 54.97 54.50 1jjj s GLU 104 Cb -0.02 -1.38 0.02 0.00 -0.44 0.00 0.00 34.13 32.31 1jjj s GLU 104 CO -0.01 -0.08 -0.18 0.45 0.95 0.00 0.00 175.26 176.39 1jjj s SER 105 N 1.03 3.19 -0.15 0.83 0.15 -0.80 -4.50 113.70 113.43 1jjj s SER 105 Ca -0.08 -0.70 -0.17 0.00 0.70 0.00 0.00 55.95 55.70 1jjj s SER 105 Cb -0.15 -1.44 -0.04 0.00 -1.71 0.00 0.00 66.02 62.68 1jjj s SER 105 CO -0.00 -0.03 0.44 0.42 1.20 0.00 0.00 173.24 175.27 1jjj s THR 106 N 1.30 5.20 -0.25 6.45 -4.23 -0.34 -0.85 115.64 122.92 1jjj s THR 106 Ca 0.04 0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 61.35 1jjj s THR 106 Cb -0.14 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.94 1jjj s THR 106 CO -0.12 0.30 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.60 1jjj s ILE 107 N 0.87 3.23 -0.58 2.99 -1.09 -0.30 -1.30 121.20 125.02 1jjj s ILE 107 Ca 0.23 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.68 1jjj s ILE 107 Cb -0.15 -2.59 0.14 0.00 -1.58 0.00 0.00 42.46 38.28 1jjj s ILE 107 CO 0.09 0.24 0.55 -0.89 -1.23 0.00 0.00 174.94 173.70 1jjj s THR 108 N 1.40 5.25 -0.66 2.92 2.01 -0.73 -0.92 115.64 124.92 1jjj s THR 108 Ca 0.02 -1.62 -0.21 0.00 0.31 0.00 0.00 61.69 60.19 1jjj s THR 108 Cb -0.16 -4.36 0.09 0.00 0.01 0.00 0.00 72.50 68.07 1jjj s THR 108 CO -0.03 -0.90 0.88 -0.13 -0.69 0.00 0.00 174.62 173.74 1jjj s ARG 109 N 1.43 3.13 0.06 4.92 0.52 -0.27 -0.92 118.95 127.82 1jjj s ARG 109 Ca 0.06 -1.11 0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1jjj s ARG 109 Cb -0.27 -4.30 -0.03 0.00 0.52 0.00 0.00 34.95 30.88 1jjj s ARG 109 CO 0.01 -1.71 -0.17 -1.59 0.02 0.00 0.00 175.30 171.87 1jjj s LYS 110 N 3.40 1.02 -0.23 3.54 0.00 -0.60 -1.27 119.74 125.60 1jjj s LYS 110 Ca 0.19 -0.92 -0.21 0.00 0.00 0.00 0.00 55.97 55.03 1jjj s LYS 110 Cb -0.19 -1.11 -0.02 0.00 0.00 0.00 0.00 37.83 36.52 1jjj s LYS 110 CO 0.07 0.27 0.65 -1.17 0.00 0.00 0.00 175.35 175.16 1jjj s LEU 111 N -1.45 4.10 0.00 2.77 1.98 -0.78 -0.68 118.68 124.61 1jjj s LEU 111 Ca 0.03 0.79 0.00 0.00 -2.89 0.00 0.00 54.13 52.06 1jjj s LEU 111 Cb -0.09 -2.90 0.00 0.00 0.66 0.00 0.00 46.19 43.86 1jjj s LEU 111 CO 0.02 -0.34 0.00 0.29 -1.89 0.00 0.00 176.35 174.43 1jjj n LYS 112 N 5.46 0.00 -1.30 1.98 5.02 -0.72 -4.96 118.16 123.64 1jjj n LYS 112 Ca -0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1jjj n LYS 112 Cb 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.40 1jjj n LYS 112 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jjj n ASP 113 N 0.00 6.29 -1.73 4.39 5.75 -1.26 -4.39 116.55 125.60 1jjj n ASP 113 Ca 0.00 -2.82 -0.14 0.00 -0.01 0.00 0.00 54.79 51.82 1jjj n ASP 113 Cb 0.00 -1.36 0.00 0.00 -1.03 0.00 0.00 41.12 38.73 1jjj n ASP 113 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jjj n GLY 114 N 1.94 -0.17 2.88 6.12 0.00 -1.26 -5.07 105.19 109.63 1jjj n GLY 114 Ca 0.50 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.89 0.33 -0.58 1.61 -0.14 -1.26 -4.26 119.74 110.55 1jjj s LYS 115 Ca 0.07 -0.04 -0.24 0.00 -1.36 0.00 0.00 55.97 54.39 1jjj s LYS 115 Cb -0.03 -0.40 0.05 0.00 -1.68 0.00 0.00 37.83 35.76 1jjj s LYS 115 CO 0.08 -0.02 0.98 -1.17 -0.76 0.00 0.00 175.35 174.46 1jjj s LEU 116 N 0.45 4.06 -0.42 3.17 2.96 -0.52 -1.75 118.68 126.63 1jjj s LEU 116 Ca -0.05 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.27 1jjj s LEU 116 Cb -0.08 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.88 1jjj s LEU 116 CO -0.01 -1.32 0.31 -0.69 -1.32 0.00 0.00 176.35 173.33 1jjj s VAL 117 N 4.13 5.26 -0.43 1.68 1.01 0.14 -0.98 120.40 131.21 1jjj s VAL 117 Ca 0.30 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1jjj s VAL 117 Cb -0.13 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1jjj s VAL 117 CO 0.18 -0.34 0.30 -0.69 0.00 0.00 0.00 175.10 174.55 1jjj s VAL 118 N 1.68 4.79 -0.39 2.92 1.01 -0.17 -1.56 120.40 128.68 1jjj s VAL 118 Ca 0.05 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1jjj s VAL 118 Cb -0.20 -3.82 0.11 0.00 0.00 0.00 0.00 36.38 32.47 1jjj s VAL 118 CO 0.10 -0.46 0.14 -1.61 0.00 0.00 0.00 175.10 173.27 1jjj s GLU 119 N 1.56 1.78 0.31 2.72 2.02 -0.10 -1.22 118.70 125.77 1jjj s GLU 119 Ca 0.03 -1.91 -0.02 0.00 0.02 0.00 0.00 54.97 53.09 1jjj s GLU 119 Cb -0.22 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1jjj s GLU 119 CO 0.06 -1.02 0.55 0.00 0.02 0.00 0.00 175.26 174.87 1jjj s VAL 121 N -2.19 -0.04 0.00 0.00 0.11 -0.42 -2.63 120.40 115.22 1jjj s VAL 121 Ca 0.42 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1jjj s VAL 121 Cb -0.10 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 1jjj s VAL 121 CO 0.33 0.06 0.00 0.80 -3.33 0.00 0.00 175.10 172.96 1jjj n MET 122 N 4.18 0.00 -3.52 1.54 1.56 -1.18 -1.20 117.12 118.49 1jjj n MET 122 Ca -0.25 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 56.77 1jjj n MET 122 Cb 0.53 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.85 1jjj n MET 122 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1jjj s ASN 123 N -0.72 6.27 0.00 6.12 0.02 -1.26 -4.73 114.94 120.64 1jjj s ASN 123 Ca 0.00 -3.24 0.00 0.00 -1.02 0.00 0.00 52.86 48.60 1jjj s ASN 123 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 41.25 39.24 1jjj s ASN 123 CO 0.00 -0.34 0.00 0.59 0.02 0.00 0.00 177.10 177.37 1jjj n ASN 124 N 3.08 0.00 -4.67 -1.22 3.02 -1.26 -4.99 115.26 109.22 1jjj n ASN 124 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 1jjj n ASN 124 Cb 0.40 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 4.81 -0.08 2.41 1.01 -1.26 -5.04 120.40 122.25 1jjj s VAL 125 Ca 0.00 1.83 -0.00 0.00 0.00 0.00 0.00 61.98 63.81 1jjj s VAL 125 Cb 0.00 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1jjj s VAL 125 CO 0.00 -0.02 -0.05 0.42 0.00 0.00 0.00 175.10 175.45 1jjj s THR 126 N 2.32 3.83 -0.15 3.92 -4.23 -1.26 -3.12 115.64 116.94 1jjj s THR 126 Ca 0.42 -0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1jjj s THR 126 Cb -0.17 -2.59 0.03 0.00 1.34 0.00 0.00 72.50 71.12 1jjj s THR 126 CO 0.13 0.59 -0.09 0.00 -0.54 0.00 0.00 174.62 174.71 1jjj s THR 128 N 1.58 4.87 -0.12 0.00 2.01 -0.92 -1.31 115.64 121.74 1jjj s THR 128 Ca 0.02 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1jjj s THR 128 Cb -0.14 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.07 1jjj s THR 128 CO -0.09 -0.78 -0.17 0.00 -0.69 0.00 0.00 174.62 172.89 1jjj s ARG 129 N 2.65 3.25 -0.21 4.92 3.03 -0.36 -1.73 118.95 130.50 1jjj s ARG 129 Ca 0.16 -0.76 -0.07 0.00 2.03 0.00 0.00 55.73 57.08 1jjj s ARG 129 Cb -0.19 -2.50 -0.04 0.00 -1.03 0.00 0.00 34.95 31.19 1jjj s ARG 129 CO 0.13 0.19 0.07 0.42 -1.13 0.00 0.00 175.30 174.98 1jjj s ILE 130 N 0.37 4.65 -0.11 4.99 -1.09 0.12 -1.00 121.20 129.13 1jjj s ILE 130 Ca -0.14 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 1jjj s ILE 130 Cb -0.17 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.60 1jjj s ILE 130 CO 0.07 0.41 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.69 1jjj s TYR 131 N 0.83 2.24 0.11 3.97 1.51 -0.15 -0.91 117.35 124.94 1jjj s TYR 131 Ca 0.04 -1.05 -0.22 0.00 -1.01 0.00 0.00 57.07 54.84 1jjj s TYR 131 Cb -0.14 -1.56 -0.07 0.00 -0.11 0.00 0.00 41.96 40.08 1jjj s TYR 131 CO 0.02 -0.50 0.65 -1.83 -1.11 0.00 0.00 175.55 172.79 1jjj s GLU 132 N 0.81 4.34 -0.20 -0.62 4.04 -0.18 -1.44 118.70 125.45 1jjj s GLU 132 Ca -0.09 0.90 -0.29 0.00 0.04 0.00 0.00 54.97 55.52 1jjj s GLU 132 Cb -0.16 -3.25 -0.01 0.00 0.02 0.00 0.00 34.13 30.73 1jjj s GLU 132 CO 0.00 0.61 1.31 0.21 -1.84 0.00 0.00 175.26 175.56 1jjj s LYS 133 N -1.12 4.11 -1.33 -4.83 2.20 -1.26 -0.81 119.74 116.71 1jjj s LYS 133 Ca 0.32 1.57 -0.06 0.00 -0.36 0.00 0.00 55.97 57.43 1jjj s LYS 133 Cb -0.21 -3.82 0.12 0.00 -1.51 0.00 0.00 37.83 32.41 1jjj s LYS 133 CO 0.22 -0.87 2.35 0.28 -0.36 0.00 0.00 175.35 176.97 1jjj n VAL 134 N 5.68 5.12 -1.89 4.02 0.31 -0.03 -5.00 118.33 126.54 1jjj n VAL 134 Ca 0.15 -4.28 0.00 0.00 -0.01 0.00 0.00 64.34 60.20 1jjj n VAL 134 Cb 0.45 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.26 1jjj n VAL 134 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89