#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjj h VAL 4 N 0.00 1.28 -0.93 12.58 3.04 -2.01 -3.17 116.25 127.04 1jjj h VAL 4 Ca 0.00 -1.48 0.18 0.00 -1.01 0.00 0.00 66.70 64.39 1jjj h VAL 4 Cb 0.00 1.33 -0.08 0.00 -2.01 0.00 0.00 31.29 30.54 1jjj h VAL 4 CO 0.00 0.49 0.60 -0.61 -1.01 0.00 0.00 177.57 177.04 1jjj h GLN 5 N 0.69 0.58 0.00 4.17 -0.00 -2.02 -2.63 115.11 115.89 1jjj h GLN 5 Ca 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1jjj h GLN 5 Cb 0.87 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 28.22 1jjj h GLN 5 CO 0.08 0.38 -0.15 1.96 0.00 0.00 0.00 178.83 181.10 1jjj h GLN 6 N 0.60 0.00 0.00 1.69 1.08 -2.01 -2.38 115.11 114.09 1jjj h GLN 6 Ca 0.49 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.69 1jjj h GLN 6 Cb 0.96 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1jjj h GLN 6 CO -0.24 0.15 -0.02 -0.07 -0.95 0.00 0.00 178.83 177.70 1jjj h LEU 7 N 0.00 0.00 -9.23 1.46 3.38 -1.52 -3.46 115.31 105.94 1jjj h LEU 7 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1jjj h LEU 7 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1jjj h LEU 7 CO 0.02 0.02 0.75 -1.61 0.09 0.00 0.00 178.44 177.70 1jjj s GLU 8 N -3.95 4.32 0.00 1.13 0.41 -0.90 -4.63 118.70 115.07 1jjj s GLU 8 Ca -0.02 1.58 0.00 0.00 -0.41 0.00 0.00 54.97 56.12 1jjj s GLU 8 Cb 0.11 -3.62 0.00 0.00 -1.78 0.00 0.00 34.13 28.84 1jjj s GLU 8 CO 0.49 -0.52 0.00 0.41 -0.49 0.00 0.00 175.26 175.15 1jjj n GLY 9 N 3.38 -1.01 3.75 -1.39 0.00 -0.70 -5.01 105.19 104.22 1jjj n GLY 9 Ca 0.11 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.52 4.21 -0.23 1.61 3.52 -1.26 -1.42 118.95 123.85 1jjj s ARG 10 Ca 0.00 0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 1jjj s ARG 10 Cb 0.00 -3.38 0.06 0.00 -1.56 0.00 0.00 34.95 30.07 1jjj s ARG 10 CO 0.00 0.32 -0.06 -1.58 -0.81 0.00 0.00 175.30 173.17 1jjj s TRP 11 N 0.13 2.49 -0.17 5.12 0.52 -0.14 -0.34 118.94 126.54 1jjj s TRP 11 Ca 0.23 -1.80 -0.14 0.00 0.02 0.00 0.00 56.10 54.41 1jjj s TRP 11 Cb -0.15 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1jjj s TRP 11 CO 0.09 -0.78 0.31 0.50 0.02 0.00 0.00 176.95 177.10 1jjj s ARG 12 N 1.37 4.23 0.08 4.98 3.52 -0.11 -0.48 118.95 132.54 1jjj s ARG 12 Ca -0.06 0.11 -0.31 0.00 -0.13 0.00 0.00 55.73 55.34 1jjj s ARG 12 Cb -0.19 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.68 1jjj s ARG 12 CO -0.06 0.16 1.32 -1.17 -0.81 0.00 0.00 175.30 174.74 1jjj s LEU 13 N 0.71 4.36 0.05 -0.88 2.96 -1.00 -0.72 118.68 124.15 1jjj s LEU 13 Ca 0.17 2.18 -0.01 0.00 -0.22 0.00 0.00 54.13 56.25 1jjj s LEU 13 Cb -0.13 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 1jjj s LEU 13 CO 0.05 -0.60 -0.01 1.33 -1.32 0.00 0.00 176.35 175.80 1jjj n VAL 14 N 4.05 0.73 -4.00 1.68 0.24 -0.40 -4.83 118.33 115.79 1jjj n VAL 14 Ca 0.11 0.24 -0.24 0.00 -2.04 0.00 0.00 64.34 62.41 1jjj n VAL 14 Cb 0.44 -1.39 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 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 -5.54 6.06 -0.48 -1.34 2.15 -1.22 -4.97 116.67 111.33 1jjj s ASP 15 Ca -0.01 0.02 0.06 0.00 0.43 0.00 0.00 52.55 53.05 1jjj s ASP 15 Cb 0.00 -1.73 0.23 0.00 -0.30 0.00 0.00 42.92 41.12 1jjj s ASP 15 CO 0.02 0.00 0.78 -1.20 -0.17 0.00 0.00 175.17 174.60 1jjj n SER 16 N -0.88 -2.42 -4.72 -0.34 7.64 -1.26 -1.53 113.62 110.12 1jjj n SER 16 Ca -0.08 -3.10 -0.42 0.00 1.01 0.00 0.00 58.87 56.28 1jjj n SER 16 Cb 0.56 1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 65.05 1jjj n SER 16 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1jjj s LYS 17 N 0.41 4.25 -0.14 1.43 0.00 -1.15 -3.09 119.74 121.46 1jjj s LYS 17 Ca 0.32 2.25 0.00 0.00 0.00 0.00 0.00 55.97 58.54 1jjj s LYS 17 Cb 0.17 -3.20 0.00 0.00 0.00 0.00 0.00 37.83 34.80 1jjj s LYS 17 CO -0.19 -0.55 0.00 0.41 0.00 0.00 0.00 175.35 175.02 1jjj n GLY 18 N 3.66 0.33 0.23 0.59 0.00 -1.26 -2.86 105.19 105.89 1jjj n GLY 18 Ca 0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 0.64 0.00 1.61 3.57 -1.87 -2.57 116.94 118.33 1jjj h PHE 19 Ca -0.03 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.34 1jjj h PHE 19 Cb 0.60 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 1jjj h PHE 19 CO 0.36 0.83 -0.29 0.22 -2.23 0.00 0.00 178.31 177.19 1jjj h ASP 20 N 0.47 -0.87 -1.00 0.41 3.58 -1.93 -1.34 116.42 115.73 1jjj h ASP 20 Ca 0.05 0.12 0.12 0.00 0.42 0.00 0.00 57.03 57.74 1jjj h ASP 20 Cb 0.83 0.35 -0.09 0.00 1.72 0.00 0.00 39.33 42.15 1jjj h ASP 20 CO 0.07 -0.36 0.63 -0.33 -2.88 0.00 0.00 179.24 176.36 1jjj h GLU 21 N -0.44 0.95 -0.44 0.28 4.39 -1.98 -2.17 114.58 115.17 1jjj h GLU 21 Ca 0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jjj h GLU 21 Cb 0.53 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1jjj h GLU 21 CO -0.25 0.63 0.28 -0.92 -1.16 0.00 0.00 179.01 177.59 1jjj h TYR 22 N 0.98 0.57 -0.01 4.33 3.20 -1.29 -2.67 116.97 122.09 1jjj h TYR 22 Ca 0.50 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.23 1jjj h TYR 22 Cb 0.51 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1jjj h TYR 22 CO -0.01 0.38 -0.66 0.00 -1.64 0.00 0.00 178.16 176.23 1jjj h MET 23 N 0.59 0.02 -0.75 1.82 -0.00 -0.93 -0.76 114.93 114.93 1jjj h MET 23 Ca 0.16 -0.02 0.02 0.00 -0.00 0.00 0.00 59.70 59.86 1jjj h MET 23 Cb -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.53 1jjj h MET 23 CO -0.03 0.68 0.48 1.57 -0.00 0.00 0.00 176.91 179.61 1jjj h LYS 24 N 0.02 0.93 -0.67 -0.10 5.09 -1.51 -2.79 116.57 117.54 1jjj h LYS 24 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 60.65 60.66 1jjj h LYS 24 Cb 1.18 -0.21 -0.03 0.00 0.10 0.00 0.00 32.23 33.26 1jjj h LYS 24 CO 0.09 0.61 0.38 1.49 -2.09 0.00 0.00 179.45 179.93 1jjj h GLU 25 N 0.96 0.94 -0.59 0.07 4.57 -1.11 -3.03 114.58 116.38 1jjj h GLU 25 Ca 0.29 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1jjj h GLU 25 Cb -0.04 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 1jjj h GLU 25 CO -0.09 0.70 0.35 -0.07 -1.18 0.00 0.00 179.01 178.72 1jjj h LEU 26 N 0.92 0.55 0.00 1.64 3.38 -1.23 -3.49 115.31 117.08 1jjj h LEU 26 Ca 0.24 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1jjj h LEU 26 Cb 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1jjj h LEU 26 CO -0.04 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1jjj n GLY 27 N -1.26 0.80 3.78 0.83 0.00 -1.06 -5.12 105.19 103.16 1jjj n GLY 27 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1jjj n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jjj s VAL 28 N -1.58 4.45 1.01 1.61 -7.23 -1.16 -5.08 120.40 112.42 1jjj s VAL 28 Ca 0.00 1.63 -0.14 0.00 -1.81 0.00 0.00 61.98 61.66 1jjj s VAL 28 Cb 0.00 -4.10 0.19 0.00 0.56 0.00 0.00 36.38 33.03 1jjj s VAL 28 CO 0.00 0.52 1.12 -0.83 -0.31 0.00 0.00 175.10 175.60 1jjj s GLY 29 N -1.05 1.58 0.19 2.32 0.00 -1.26 -4.63 107.32 104.47 1jjj s GLY 29 Ca 0.35 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.38 1jjj s GLY 29 CO 0.25 0.08 1.71 0.16 0.00 0.00 0.00 173.10 175.31 1jjj h ILE 30 N -1.89 0.70 -0.84 0.90 3.07 -1.99 0.49 117.51 117.95 1jjj h ILE 30 Ca -0.51 -0.08 -0.03 0.00 1.55 0.00 0.00 64.86 65.79 1jjj h ILE 30 Cb 1.32 0.44 -0.04 0.00 -0.27 0.00 0.00 36.82 38.27 1jjj h ILE 30 CO 0.54 0.04 0.41 0.00 -1.05 0.00 0.00 178.15 178.10 1jjj h ALA 31 N 1.41 1.08 -0.70 0.16 0.00 -1.99 -0.93 119.26 118.29 1jjj h ALA 31 Ca 0.27 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1jjj h ALA 31 Cb 0.37 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jjj h ALA 31 CO -0.35 0.63 0.18 -0.07 0.00 0.00 0.00 179.25 179.65 1jjj h LEU 32 N 1.19 1.06 -0.49 0.00 3.38 -1.78 -0.92 115.31 117.74 1jjj h LEU 32 Ca 0.29 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jjj h LEU 32 Cb 0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1jjj h LEU 32 CO -0.04 1.01 0.29 0.03 0.09 0.00 0.00 178.44 179.82 1jjj h ARG 33 N 1.05 0.67 -0.45 1.13 3.08 -0.89 -1.14 114.38 117.84 1jjj h ARG 33 Ca 0.22 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.26 1jjj h ARG 33 Cb 0.36 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 1jjj h ARG 33 CO 0.00 0.49 0.19 -0.22 -1.07 0.00 0.00 179.97 179.37 1jjj h LYS 34 N 0.65 0.38 0.10 0.04 3.64 -1.14 -1.49 116.57 118.76 1jjj h LYS 34 Ca 0.18 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1jjj h LYS 34 Cb 0.00 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1jjj h LYS 34 CO -0.03 0.25 -0.52 1.98 -2.27 0.00 0.00 179.45 178.86 1jjj h MET 35 N 0.39 -0.70 -0.91 1.90 4.05 -1.15 -3.13 114.93 115.38 1jjj h MET 35 Ca 0.20 0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.85 1jjj h MET 35 Cb 0.16 0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 31.05 1jjj h MET 35 CO -0.18 -0.47 0.59 0.78 0.23 0.00 0.00 176.91 177.86 1jjj h GLY 36 N -0.73 1.12 0.77 1.39 0.00 -1.10 -0.21 103.07 104.31 1jjj h GLY 36 Ca 0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jjj h GLY 36 CO -0.30 0.02 0.01 0.00 0.00 0.00 0.00 176.54 176.27 1jjj h ALA 37 N 1.61 0.05 0.00 3.60 0.00 -1.29 -3.36 119.26 119.87 1jjj h ALA 37 Ca 0.48 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1jjj h ALA 37 Cb 0.96 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1jjj h ALA 37 CO -0.22 -0.32 -1.09 0.00 0.00 0.00 0.00 179.25 177.63 1jjj h MET 38 N -0.17 0.00 -6.23 0.00 -0.00 -1.48 -3.46 114.93 103.59 1jjj h MET 38 Ca 0.01 0.00 -0.55 0.00 -0.00 0.00 0.00 59.70 59.16 1jjj h MET 38 Cb 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.82 1jjj h MET 38 CO 0.00 0.47 1.26 0.00 -0.00 0.00 0.00 176.91 178.64 1jjj s ALA 39 N -2.88 2.69 -0.67 -3.00 0.00 -0.10 -4.98 121.76 112.82 1jjj s ALA 39 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1jjj s ALA 39 Cb 0.08 -4.09 0.17 0.00 0.00 0.00 0.00 23.12 19.29 1jjj s ALA 39 CO 0.79 -2.98 0.52 -1.59 0.00 0.00 0.00 175.76 172.50 1jjj s LYS 40 N 5.94 2.81 0.57 0.00 -2.85 -1.26 -4.89 119.74 120.07 1jjj s LYS 40 Ca 0.72 -2.51 -0.08 0.00 -1.00 0.00 0.00 55.97 53.10 1jjj s LYS 40 Cb -0.18 -3.90 -0.03 0.00 -2.06 0.00 0.00 37.83 31.67 1jjj s LYS 40 CO 0.29 -1.20 0.93 -1.25 0.10 0.00 0.00 175.35 174.22 1jjj s PRO 41 N 0.01 3.44 -0.66 1.78 0.04 -1.26 -4.54 135.00 133.80 1jjj s PRO 41 Ca 0.17 0.43 -0.19 0.00 0.04 0.00 0.00 61.00 61.45 1jjj s PRO 41 Cb -0.18 -2.21 0.11 0.00 0.04 0.00 0.00 34.50 32.26 1jjj s PRO 41 CO -0.05 -0.49 0.79 -0.51 0.04 0.00 0.00 177.00 176.79 1jjj s ASP 42 N -4.18 6.28 -0.44 6.66 1.11 -0.53 -2.38 116.67 123.20 1jjj s ASP 42 Ca 0.52 -1.56 -0.22 0.00 0.18 0.00 0.00 52.55 51.47 1jjj s ASP 42 Cb -0.11 -2.32 0.02 0.00 1.07 0.00 0.00 42.92 41.59 1jjj s ASP 42 CO 0.49 -1.11 0.72 0.00 1.18 0.00 0.00 175.17 176.46 1jjj s ILE 44 N 3.06 4.87 -0.22 0.00 1.01 0.04 -0.96 121.20 129.00 1jjj s ILE 44 Ca 0.27 0.63 -0.16 0.00 0.00 0.00 0.00 60.65 61.39 1jjj s ILE 44 Cb -0.13 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1jjj s ILE 44 CO 0.20 -0.32 0.39 -0.63 0.00 0.00 0.00 174.94 174.59 1jjj s ILE 45 N 2.75 5.19 -0.16 2.92 1.01 -0.51 -1.53 121.20 130.87 1jjj s ILE 45 Ca 0.25 0.67 -0.08 0.00 0.00 0.00 0.00 60.65 61.50 1jjj s ILE 45 Cb -0.14 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.67 1jjj s ILE 45 CO 0.15 0.22 0.37 -0.89 0.00 0.00 0.00 174.94 174.79 1jjj s THR 46 N 1.54 -0.21 -0.20 2.92 2.01 -0.87 -1.73 115.64 119.11 1jjj s THR 46 Ca 0.18 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1jjj s THR 46 Cb -0.15 -0.56 0.04 0.00 0.01 0.00 0.00 72.50 71.83 1jjj s THR 46 CO 0.08 0.06 -0.14 0.00 -0.69 0.00 0.00 174.62 173.93 1jjj s ASP 48 N 1.32 6.74 0.00 0.00 1.01 -0.98 -4.77 116.67 119.98 1jjj s ASP 48 Ca 0.00 -2.15 0.00 0.00 0.71 0.00 0.00 52.55 51.12 1jjj s ASP 48 Cb -0.15 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.24 1jjj s ASP 48 CO -0.10 -1.22 0.00 0.61 0.21 0.00 0.00 175.17 174.67 1jjj n GLY 49 N 5.75 1.69 0.00 0.21 0.00 -1.26 -3.10 105.19 108.48 1jjj n GLY 49 Ca 0.40 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 1.70 -2.64 1.61 5.02 -1.26 -5.03 118.16 117.57 1jjj n LYS 50 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1jjj n LYS 50 Cb 0.00 -0.87 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 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 -1.57 6.33 -0.31 4.39 2.20 -1.18 -1.30 114.94 123.50 1jjj s ASN 51 Ca 0.00 -0.21 -0.14 0.00 -0.94 0.00 0.00 52.86 51.57 1jjj s ASN 51 Cb 0.00 -2.52 -0.03 0.00 -2.00 0.00 0.00 41.25 36.70 1jjj s ASN 51 CO 0.00 -1.54 0.30 -0.22 -2.94 0.00 0.00 177.10 172.70 1jjj s LEU 52 N 4.93 4.24 -0.21 3.54 0.20 0.17 -2.32 118.68 129.24 1jjj s LEU 52 Ca 0.37 -0.07 -0.13 0.00 0.69 0.00 0.00 54.13 54.98 1jjj s LEU 52 Cb -0.09 -2.27 -0.04 0.00 -0.43 0.00 0.00 46.19 43.35 1jjj s LEU 52 CO 0.20 -0.21 0.29 -0.89 -0.29 0.00 0.00 176.35 175.45 1jjj s THR 53 N 1.92 5.28 -0.42 3.68 2.01 -0.08 -1.75 115.64 126.28 1jjj s THR 53 Ca 0.10 0.48 -0.06 0.00 0.31 0.00 0.00 61.69 62.52 1jjj s THR 53 Cb -0.16 -3.62 0.10 0.00 0.01 0.00 0.00 72.50 68.82 1jjj s THR 53 CO 0.11 0.32 0.23 -0.63 -0.69 0.00 0.00 174.62 173.96 1jjj s ILE 54 N 1.01 3.73 -0.47 1.82 1.01 -0.21 -2.05 121.20 126.04 1jjj s ILE 54 Ca 0.14 -1.75 -0.14 0.00 0.00 0.00 0.00 60.65 58.91 1jjj s ILE 54 Cb -0.14 -3.42 0.08 0.00 0.01 0.00 0.00 42.46 39.00 1jjj s ILE 54 CO 0.05 -0.60 0.38 -0.75 0.00 0.00 0.00 174.94 174.01 1jjj s LYS 55 N 1.28 2.87 -0.53 2.79 2.20 -0.58 -2.40 119.74 125.36 1jjj s LYS 55 Ca 0.05 -1.44 -0.24 0.00 -0.36 0.00 0.00 55.97 53.98 1jjj s LYS 55 Cb -0.23 -4.06 0.04 0.00 -1.51 0.00 0.00 37.83 32.06 1jjj s LYS 55 CO -0.01 -1.06 0.91 0.99 -0.36 0.00 0.00 175.35 175.82 1jjj s THR 56 N 1.57 4.45 -0.34 3.43 2.01 0.59 -0.78 115.64 126.57 1jjj s THR 56 Ca 0.04 0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 1jjj s THR 56 Cb -0.25 -4.50 -0.01 0.00 0.01 0.00 0.00 72.50 67.75 1jjj s THR 56 CO 0.05 -1.04 0.46 -1.61 -0.69 0.00 0.00 174.62 171.79 1jjj s GLU 57 N 3.80 3.64 -0.19 4.92 2.02 -0.41 -1.77 118.70 130.71 1jjj s GLU 57 Ca 0.30 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.93 1jjj s GLU 57 Cb -0.13 -3.79 0.05 0.00 0.10 0.00 0.00 34.13 30.36 1jjj s GLU 57 CO 0.20 -0.57 0.49 0.45 0.02 0.00 0.00 175.26 175.84 1jjj s SER 58 N 1.74 -0.55 0.42 -0.19 0.15 -1.26 -1.45 113.70 112.56 1jjj s SER 58 Ca 0.16 1.00 0.08 0.00 0.70 0.00 0.00 55.95 57.90 1jjj s SER 58 Cb -0.16 0.97 0.89 0.00 -1.71 0.00 0.00 66.02 66.02 1jjj s SER 58 CO 0.12 -0.18 2.05 0.71 1.20 0.00 0.00 173.24 177.14 1jjj h THR 59 N 4.70 1.07 0.03 6.45 1.35 -1.98 -2.48 112.91 122.04 1jjj h THR 59 Ca -0.30 -0.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1jjj h THR 59 Cb 1.18 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1jjj h THR 59 CO 0.22 0.10 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.50 1jjj h LEU 60 N 0.52 -0.03 -6.23 3.87 3.38 -1.99 -3.44 115.31 111.39 1jjj h LEU 60 Ca 0.17 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1jjj h LEU 60 Cb 0.05 0.01 -0.26 0.00 0.09 0.00 0.00 40.66 40.55 1jjj h LEU 60 CO -0.04 0.20 -0.43 -0.75 0.09 0.00 0.00 178.44 177.51 1jjj s LYS 61 N -5.30 0.45 -0.05 1.13 2.47 -1.15 -5.14 119.74 112.15 1jjj s LYS 61 Ca -0.14 0.54 -0.18 0.00 -1.56 0.00 0.00 55.97 54.62 1jjj s LYS 61 Cb 0.04 -0.06 -0.05 0.00 -1.46 0.00 0.00 37.83 36.30 1jjj s LYS 61 CO 0.66 -0.81 0.51 0.99 0.16 0.00 0.00 175.35 176.86 1jjj s THR 62 N 2.67 5.05 0.02 3.43 2.01 -0.95 -4.12 115.64 123.75 1jjj s THR 62 Ca 0.13 1.05 0.01 0.00 0.31 0.00 0.00 61.69 63.20 1jjj s THR 62 Cb -0.14 -3.84 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1jjj s THR 62 CO -0.23 0.41 -0.05 0.42 -0.69 0.00 0.00 174.62 174.48 1jjj s THR 63 N -0.02 0.32 -0.03 -0.82 -4.23 -0.73 -4.99 115.64 105.14 1jjj s THR 63 Ca 0.28 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 1jjj s THR 63 Cb -0.17 -0.38 0.03 0.00 1.34 0.00 0.00 72.50 73.33 1jjj s THR 63 CO 0.14 -0.27 0.06 -1.58 -0.54 0.00 0.00 174.62 172.43 1jjj s GLN 64 N -1.05 -0.01 0.01 3.99 -0.44 -1.26 -0.30 119.66 120.60 1jjj s GLN 64 Ca -0.08 0.24 0.02 0.00 -2.50 0.00 0.00 55.36 53.05 1jjj s GLN 64 Cb -0.07 -0.24 -0.01 0.00 -1.64 0.00 0.00 33.01 31.04 1jjj s GLN 64 CO -0.00 -0.18 -0.08 -0.59 0.50 0.00 0.00 175.29 174.95 1jjj s PHE 65 N 1.15 0.67 -0.08 1.67 -0.12 -1.01 -5.02 117.98 115.24 1jjj s PHE 65 Ca -0.08 -0.25 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 1jjj s PHE 65 Cb -0.13 -0.42 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 1jjj s PHE 65 CO -0.04 -0.03 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.90 1jjj s SER 66 N -0.70 1.79 -0.01 1.98 0.01 -1.26 -1.05 113.70 114.46 1jjj s SER 66 Ca -0.01 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 56.93 1jjj s SER 66 Cb -0.05 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.41 1jjj s SER 66 CO 0.00 -0.04 0.10 0.00 0.41 0.00 0.00 173.24 173.72 1jjj s THR 68 N -0.86 3.70 -0.20 0.00 2.01 -1.26 -0.66 115.64 118.37 1jjj s THR 68 Ca -0.09 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 1jjj s THR 68 Cb -0.06 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1jjj s THR 68 CO 0.01 0.21 1.42 -0.22 -0.69 0.00 0.00 174.62 175.34 1jjj s LEU 69 N -0.04 4.04 0.00 4.42 2.96 -0.42 -1.38 118.68 128.26 1jjj s LEU 69 Ca 0.53 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1jjj s LEU 69 Cb -0.31 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.84 1jjj s LEU 69 CO 0.35 -1.01 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 1jjj n GLY 70 N 4.16 2.74 3.83 7.98 0.00 0.38 -5.01 105.19 119.28 1jjj n GLY 70 Ca 0.16 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.30 -0.03 1.61 2.12 -0.48 -4.75 118.70 120.47 1jjj s GLU 71 Ca 0.00 0.95 0.05 0.00 0.36 0.00 0.00 54.97 56.33 1jjj s GLU 71 Cb 0.00 -2.04 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 1jjj s GLU 71 CO 0.00 -0.81 -0.17 -1.59 -0.54 0.00 0.00 175.26 172.14 1jjj s LYS 72 N -4.78 2.34 0.03 4.30 0.00 -1.26 -2.59 119.74 117.78 1jjj s LYS 72 Ca 0.58 -0.80 -0.17 0.00 0.00 0.00 0.00 55.97 55.58 1jjj s LYS 72 Cb -0.13 -2.27 0.03 0.00 0.00 0.00 0.00 37.83 35.46 1jjj s LYS 72 CO 0.48 0.60 0.38 -0.59 0.00 0.00 0.00 175.35 176.22 1jjj s PHE 73 N -0.74 -0.24 -1.07 1.78 -0.71 -0.66 -4.86 117.98 111.47 1jjj s PHE 73 Ca 0.12 0.23 -0.20 0.00 -1.04 0.00 0.00 56.93 56.04 1jjj s PHE 73 Cb -0.10 0.18 0.08 0.00 -1.21 0.00 0.00 43.02 41.97 1jjj s PHE 73 CO 0.01 -0.52 1.43 -2.00 -1.34 0.00 0.00 175.22 172.79 1jjj s GLU 74 N -2.19 3.71 -0.26 1.99 2.12 -1.26 -0.52 118.70 122.30 1jjj s GLU 74 Ca -0.07 -1.57 -0.29 0.00 0.36 0.00 0.00 54.97 53.40 1jjj s GLU 74 Cb -0.02 -5.26 -0.01 0.00 0.26 0.00 0.00 34.13 29.10 1jjj s GLU 74 CO -0.00 -2.07 1.42 -2.00 -0.54 0.00 0.00 175.26 172.06 1jjj s GLU 75 N 3.98 3.88 -0.52 4.30 -6.30 0.21 -4.71 118.70 119.54 1jjj s GLU 75 Ca 0.44 1.43 -0.15 0.00 -2.50 0.00 0.00 54.97 54.19 1jjj s GLU 75 Cb -0.01 -3.94 0.12 0.00 0.00 0.00 0.00 34.13 30.31 1jjj s GLU 75 CO -0.06 -1.17 0.46 0.99 0.02 0.00 0.00 175.26 175.51 1jjj s THR 76 N 4.65 5.05 0.72 -1.70 2.01 -1.26 -0.84 115.64 124.27 1jjj s THR 76 Ca 0.62 -1.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 1jjj s THR 76 Cb -0.20 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.11 1jjj s THR 76 CO 0.25 -0.83 1.07 0.42 -0.69 0.00 0.00 174.62 174.85 1jjj s THR 77 N 1.57 3.77 0.48 -0.82 -4.23 -0.85 -4.89 115.64 110.66 1jjj s THR 77 Ca 0.03 0.58 0.30 0.00 -1.18 0.00 0.00 61.69 61.42 1jjj s THR 77 Cb -0.29 -3.22 0.49 0.00 1.34 0.00 0.00 72.50 70.82 1jjj s THR 77 CO 0.03 -0.74 1.77 0.00 -0.54 0.00 0.00 174.62 175.14 1jjj h ALA 78 N -0.84 2.78 0.05 3.99 0.00 -1.97 -0.92 119.26 122.35 1jjj h ALA 78 Ca -0.44 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1jjj h ALA 78 Cb 1.22 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1jjj h ALA 78 CO 0.55 -1.17 -0.08 0.22 0.00 0.00 0.00 179.25 178.77 1jjj h ASP 79 N 0.15 -0.21 0.00 0.00 1.82 -1.99 -3.49 116.42 112.70 1jjj h ASP 79 Ca 0.61 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 1jjj h ASP 79 Cb 2.05 0.08 0.00 0.00 0.68 0.00 0.00 39.33 42.14 1jjj h ASP 79 CO -0.15 -0.12 0.00 0.61 -1.61 0.00 0.00 179.24 177.97 1jjj n GLY 80 N -1.19 1.31 3.70 -0.78 0.00 -0.35 -5.10 105.19 102.77 1jjj n GLY 80 Ca -0.07 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1jjj n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjj n ARG 81 N 0.00 2.61 -2.71 1.61 1.74 -1.26 -4.65 116.66 114.00 1jjj n ARG 81 Ca 0.00 0.94 -0.42 0.00 -0.77 0.00 0.00 57.85 57.60 1jjj n ARG 81 Cb 0.00 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 28.63 1jjj n ARG 81 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1jjj s LYS 82 N 1.20 3.22 -0.39 5.56 -0.14 -1.26 -2.01 119.74 125.93 1jjj s LYS 82 Ca 0.77 -0.40 -0.06 0.00 -1.36 0.00 0.00 55.97 54.91 1jjj s LYS 82 Cb -0.55 -4.16 0.07 0.00 -1.68 0.00 0.00 37.83 31.51 1jjj s LYS 82 CO 0.34 -1.88 0.19 0.95 -0.76 0.00 0.00 175.35 174.19 1jjj s THR 83 N 4.78 3.80 -0.48 2.17 -4.23 -0.02 -4.72 115.64 116.94 1jjj s THR 83 Ca 0.31 -1.47 -0.28 0.00 -1.18 0.00 0.00 61.69 59.07 1jjj s THR 83 Cb -0.12 -3.33 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1jjj s THR 83 CO 0.15 -0.43 1.74 -1.10 -0.54 0.00 0.00 174.62 174.45 1jjj s GLN 84 N 1.34 3.07 -0.10 3.99 -1.52 0.05 -0.62 119.66 125.86 1jjj s GLN 84 Ca 0.02 0.93 -0.01 0.00 -1.95 0.00 0.00 55.36 54.36 1jjj s GLN 84 Cb -0.22 -4.25 0.03 0.00 -0.22 0.00 0.00 33.01 28.35 1jjj s GLN 84 CO 0.01 -2.19 -0.06 0.99 -0.25 0.00 0.00 175.29 173.78 1jjj s THR 85 N 7.55 0.88 -0.17 -0.19 2.01 0.32 -1.43 115.64 124.62 1jjj s THR 85 Ca 0.70 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1jjj s THR 85 Cb -0.16 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1jjj s THR 85 CO 0.27 0.34 0.46 0.54 -0.69 0.00 0.00 174.62 175.54 1jjj s VAL 86 N 1.73 5.17 -0.34 3.82 0.11 -0.67 -1.66 120.40 128.56 1jjj s VAL 86 Ca 0.04 0.86 -0.09 0.00 -2.93 0.00 0.00 61.98 59.86 1jjj s VAL 86 Cb -0.13 -3.79 0.02 0.00 -1.53 0.00 0.00 36.38 30.95 1jjj s VAL 86 CO -0.07 0.26 0.16 0.00 -3.33 0.00 0.00 175.10 172.12 1jjj s ASN 88 N 1.54 2.32 -0.13 0.00 0.01 -0.65 -0.47 114.94 117.55 1jjj s ASN 88 Ca 0.02 -0.40 -0.21 0.00 -0.71 0.00 0.00 52.86 51.56 1jjj s ASN 88 Cb -0.18 -0.99 -0.03 0.00 0.41 0.00 0.00 41.25 40.46 1jjj s ASN 88 CO 0.05 0.10 0.64 0.12 -1.51 0.00 0.00 177.10 176.50 1jjj s PHE 89 N 0.43 3.48 -0.04 2.20 5.36 -1.26 -0.67 117.98 127.46 1jjj s PHE 89 Ca -0.14 1.05 -0.04 0.00 -0.96 0.00 0.00 56.93 56.84 1jjj s PHE 89 Cb -0.16 -2.77 0.01 0.00 -0.34 0.00 0.00 43.02 39.77 1jjj s PHE 89 CO 0.05 -0.02 0.11 -0.08 -1.46 0.00 0.00 175.22 173.83 1jjj s THR 90 N 1.28 0.00 -1.38 0.12 -1.32 -0.42 -5.00 115.64 108.93 1jjj s THR 90 Ca 0.32 -0.03 -0.06 0.00 -1.21 0.00 0.00 61.69 60.72 1jjj s THR 90 Cb -0.16 -0.18 0.01 0.00 -1.51 0.00 0.00 72.50 70.66 1jjj s THR 90 CO 0.13 -0.01 0.73 0.47 -2.21 0.00 0.00 174.62 173.73 1jjj n ASP 91 N 2.96 -5.88 -0.25 8.08 9.92 -1.26 -1.23 116.55 128.90 1jjj n ASP 91 Ca -0.13 -0.34 -0.03 0.00 -0.53 0.00 0.00 54.79 53.76 1jjj n ASP 91 Cb 0.59 -4.64 -0.01 0.00 -0.64 0.00 0.00 41.12 36.42 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 -1.61 0.63 2.98 0.44 0.00 -1.26 -4.96 105.19 101.42 1jjj n GLY 92 Ca -0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.05 -0.32 -0.39 4.61 0.00 -0.36 -1.61 121.76 121.63 1jjj s ALA 93 Ca 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 51.96 52.28 1jjj s ALA 93 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1jjj s ALA 93 CO 0.00 -0.10 0.58 -1.17 0.00 0.00 0.00 175.76 175.06 1jjj s LEU 94 N 0.51 4.45 -0.45 0.00 2.96 -0.91 -1.29 118.68 123.95 1jjj s LEU 94 Ca -0.04 -0.19 -0.19 0.00 -0.22 0.00 0.00 54.13 53.49 1jjj s LEU 94 Cb -0.05 -2.65 0.03 0.00 0.50 0.00 0.00 46.19 44.02 1jjj s LEU 94 CO -0.02 -0.63 0.57 -0.69 -1.32 0.00 0.00 176.35 174.25 1jjj s VAL 95 N 2.59 4.93 -0.68 1.68 1.01 0.15 -0.97 120.40 129.10 1jjj s VAL 95 Ca 0.20 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1jjj s VAL 95 Cb -0.15 -4.17 0.08 0.00 0.00 0.00 0.00 36.38 32.15 1jjj s VAL 95 CO 0.16 -0.58 0.95 -1.58 0.00 0.00 0.00 175.10 174.04 1jjj s GLN 96 N 2.53 3.16 -0.56 2.72 0.74 -0.25 -1.64 119.66 126.36 1jjj s GLN 96 Ca 0.17 -1.02 -0.22 0.00 0.05 0.00 0.00 55.36 54.35 1jjj s GLN 96 Cb -0.16 -4.32 0.06 0.00 1.10 0.00 0.00 33.01 29.69 1jjj s GLN 96 CO 0.16 -1.77 0.83 -1.58 -0.55 0.00 0.00 175.29 172.37 1jjj s HIS 97 N 3.70 2.87 -0.09 1.67 5.65 -0.35 -1.03 115.29 127.71 1jjj s HIS 97 Ca 0.22 -0.36 -0.18 0.00 0.25 0.00 0.00 55.06 54.99 1jjj s HIS 97 Cb -0.17 -3.94 -0.05 0.00 -1.18 0.00 0.00 32.58 27.25 1jjj s HIS 97 CO 0.07 -1.30 0.48 -0.65 -0.65 0.00 0.00 174.74 172.69 1jjj s GLN 98 N 3.45 4.28 -0.09 2.88 -0.21 -1.14 -1.67 119.66 127.17 1jjj s GLN 98 Ca 0.22 0.48 0.01 0.00 0.02 0.00 0.00 55.36 56.10 1jjj s GLN 98 Cb -0.16 -3.40 0.02 0.00 1.00 0.00 0.00 33.01 30.47 1jjj s GLN 98 CO 0.14 0.26 -0.12 -1.21 -2.12 0.00 0.00 175.29 172.24 1jjj s GLU 99 N 0.29 1.80 -0.14 2.91 2.02 -0.51 -2.07 118.70 123.00 1jjj s GLU 99 Ca 0.26 -0.42 -0.05 0.00 0.02 0.00 0.00 54.97 54.78 1jjj s GLU 99 Cb -0.16 -1.58 0.07 0.00 0.10 0.00 0.00 34.13 32.56 1jjj s GLU 99 CO 0.12 -0.07 0.30 1.67 0.02 0.00 0.00 175.26 177.30 1jjj s TRP 100 N 1.01 -0.51 -1.35 1.61 -2.14 -0.07 -0.77 118.94 116.71 1jjj s TRP 100 Ca -0.08 1.09 -0.02 0.00 2.66 0.00 0.00 56.10 59.76 1jjj s TRP 100 Cb -0.15 0.05 -0.00 0.00 -3.10 0.00 0.00 33.47 30.27 1jjj s TRP 100 CO -0.01 -0.38 0.52 -3.47 -2.66 0.00 0.00 176.95 170.95 1jjj n ASP 101 N 5.27 -1.01 0.00 -2.66 2.03 -1.26 -1.20 116.55 117.72 1jjj n ASP 101 Ca -0.08 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.26 1jjj n ASP 101 Cb 0.50 -3.31 0.00 0.00 -0.72 0.00 0.00 41.12 37.59 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 -1.86 2.44 3.84 0.27 0.00 -1.26 -5.02 105.19 103.60 1jjj n GLY 102 Ca -0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 3.87 0.05 1.61 3.01 -0.34 -5.12 119.74 122.82 1jjj s LYS 103 Ca 0.00 0.35 0.05 0.00 -1.01 0.00 0.00 55.97 55.36 1jjj s LYS 103 Cb 0.00 -3.18 -0.02 0.00 -1.01 0.00 0.00 37.83 33.62 1jjj s LYS 103 CO 0.00 0.67 -0.15 -1.83 0.51 0.00 0.00 175.35 174.55 1jjj s GLU 104 N -1.24 0.97 -0.18 1.68 -1.05 -1.26 -0.89 118.70 116.73 1jjj s GLU 104 Ca 0.25 -0.84 -0.04 0.00 -0.15 0.00 0.00 54.97 54.18 1jjj s GLU 104 Cb -0.16 -1.00 0.08 0.00 -0.44 0.00 0.00 34.13 32.61 1jjj s GLU 104 CO 0.14 0.24 0.17 0.45 0.95 0.00 0.00 175.26 177.22 1jjj s SER 105 N -1.32 1.59 0.02 0.83 0.15 -0.88 -4.71 113.70 109.37 1jjj s SER 105 Ca 0.02 -0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.36 1jjj s SER 105 Cb -0.09 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1jjj s SER 105 CO 0.02 -0.32 0.24 0.28 1.20 0.00 0.00 173.24 174.65 1jjj s THR 106 N 2.27 5.36 -0.24 6.45 -1.32 -1.00 -2.89 115.64 124.27 1jjj s THR 106 Ca 0.05 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 1jjj s THR 106 Cb -0.15 -3.57 0.07 0.00 -1.51 0.00 0.00 72.50 67.34 1jjj s THR 106 CO -0.10 0.29 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.96 1jjj s ILE 107 N -1.36 1.29 -0.47 5.08 1.01 -0.20 -1.92 121.20 124.62 1jjj s ILE 107 Ca 0.29 -1.17 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1jjj s ILE 107 Cb -0.13 -1.67 0.06 0.00 0.01 0.00 0.00 42.46 40.73 1jjj s ILE 107 CO 0.19 -0.22 0.47 -0.89 0.00 0.00 0.00 174.94 174.50 1jjj s THR 108 N 1.49 5.10 -1.01 2.92 2.01 -0.33 -1.09 115.64 124.73 1jjj s THR 108 Ca -0.02 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 1jjj s THR 108 Cb -0.18 -4.16 0.18 0.00 0.01 0.00 0.00 72.50 68.35 1jjj s THR 108 CO -0.09 -0.62 1.14 -0.13 -0.69 0.00 0.00 174.62 174.24 1jjj s ARG 109 N 2.04 3.82 -0.20 4.92 0.52 -0.15 -1.02 118.95 128.89 1jjj s ARG 109 Ca 0.09 -2.33 -0.10 0.00 -0.52 0.00 0.00 55.73 52.87 1jjj s ARG 109 Cb -0.21 -4.82 -0.05 0.00 0.52 0.00 0.00 34.95 30.39 1jjj s ARG 109 CO 0.10 -1.61 0.12 -1.59 0.02 0.00 0.00 175.30 172.34 1jjj s LYS 110 N 1.34 4.16 -0.30 3.54 -2.85 -0.57 -2.13 119.74 122.93 1jjj s LYS 110 Ca 0.32 -0.23 -0.27 0.00 -1.00 0.00 0.00 55.97 54.79 1jjj s LYS 110 Cb -0.06 -3.40 0.01 0.00 -2.06 0.00 0.00 37.83 32.33 1jjj s LYS 110 CO -0.06 0.30 0.99 -1.17 0.10 0.00 0.00 175.35 175.51 1jjj s LEU 111 N 0.34 4.00 -0.11 2.77 1.98 -0.64 -0.82 118.68 126.21 1jjj s LEU 111 Ca 0.08 1.00 -0.04 0.00 -2.89 0.00 0.00 54.13 52.27 1jjj s LEU 111 Cb -0.11 -3.41 0.06 0.00 0.66 0.00 0.00 46.19 43.39 1jjj s LEU 111 CO -0.02 -0.77 0.23 -0.75 -1.89 0.00 0.00 176.35 173.15 1jjj s LYS 112 N 3.38 0.12 -1.24 1.98 2.20 0.23 -4.98 119.74 121.42 1jjj s LYS 112 Ca 0.41 0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 56.66 1jjj s LYS 112 Cb -0.13 -0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1jjj s LYS 112 CO 0.13 -0.27 1.02 -0.25 -0.36 0.00 0.00 175.35 175.62 1jjj n ASP 113 N 5.13 -2.84 -3.04 1.43 8.00 -1.26 -2.15 116.55 121.83 1jjj n ASP 113 Ca -0.09 -0.62 -0.22 0.00 0.71 0.00 0.00 54.79 54.56 1jjj n ASP 113 Cb 0.50 -5.02 0.03 0.00 -0.02 0.00 0.00 41.12 36.61 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 -1.33 -0.52 3.46 0.44 0.00 -1.26 -5.01 105.19 100.96 1jjj n GLY 114 Ca -0.23 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1jjj n GLY 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jjj s LYS 115 N -5.72 0.65 -0.39 1.61 2.47 -0.91 -4.26 119.74 113.19 1jjj s LYS 115 Ca 0.31 0.78 -0.18 0.00 -1.56 0.00 0.00 55.97 55.32 1jjj s LYS 115 Cb -0.14 0.31 0.01 0.00 -1.46 0.00 0.00 37.83 36.55 1jjj s LYS 115 CO 0.38 -0.08 0.48 -1.17 0.16 0.00 0.00 175.35 175.12 1jjj s LEU 116 N 0.34 4.57 -0.52 5.43 2.96 -0.80 -0.60 118.68 130.06 1jjj s LEU 116 Ca -0.00 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 1jjj s LEU 116 Cb -0.04 -2.49 0.11 0.00 0.50 0.00 0.00 46.19 44.26 1jjj s LEU 116 CO 0.00 -0.54 0.50 -0.69 -1.32 0.00 0.00 176.35 174.30 1jjj s VAL 117 N 2.30 5.16 -0.54 1.68 1.01 0.00 -1.57 120.40 128.45 1jjj s VAL 117 Ca 0.16 -1.27 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 1jjj s VAL 117 Cb -0.16 -4.29 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1jjj s VAL 117 CO 0.14 -0.81 0.51 -0.69 0.00 0.00 0.00 175.10 174.25 1jjj s VAL 118 N 1.78 5.17 -0.53 2.92 1.01 0.01 -1.51 120.40 129.24 1jjj s VAL 118 Ca 0.05 -1.39 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 1jjj s VAL 118 Cb -0.27 -4.33 0.12 0.00 0.00 0.00 0.00 36.38 31.90 1jjj s VAL 118 CO 0.05 -0.86 0.48 -1.61 0.00 0.00 0.00 175.10 173.15 1jjj s GLU 119 N 1.73 2.98 -0.21 2.72 2.02 -0.19 -0.92 118.70 126.84 1jjj s GLU 119 Ca 0.04 -1.64 -0.09 0.00 0.02 0.00 0.00 54.97 53.30 1jjj s GLU 119 Cb -0.29 -4.26 -0.05 0.00 0.10 0.00 0.00 34.13 29.64 1jjj s GLU 119 CO 0.04 -1.27 0.11 0.00 0.02 0.00 0.00 175.26 174.16 1jjj s VAL 121 N 0.73 0.49 0.00 0.00 0.11 -0.81 -1.05 120.40 119.88 1jjj s VAL 121 Ca 0.06 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 1jjj s VAL 121 Cb -0.13 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1jjj s VAL 121 CO 0.02 -0.06 0.00 0.80 -3.33 0.00 0.00 175.10 172.53 1jjj n MET 122 N 2.40 0.00 -2.25 1.54 1.56 -1.24 -2.37 117.12 116.76 1jjj n MET 122 Ca -0.16 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 56.84 1jjj n MET 122 Cb 0.57 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.94 1jjj n MET 122 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1jjj n ASN 123 N 0.00 4.87 0.00 6.12 3.02 -1.26 -4.48 115.26 123.53 1jjj n ASN 123 Ca 0.00 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.49 1jjj n ASN 123 Cb 0.00 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 1jjj n ASN 123 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jjj n ASN 124 N 4.36 -0.07 -4.47 6.41 5.15 -1.26 -4.97 115.26 120.41 1jjj n ASN 124 Ca 0.42 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.97 1jjj n ASN 124 Cb 0.37 -2.15 -0.03 0.00 -0.53 0.00 0.00 39.78 37.44 1jjj n ASN 124 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jjj s VAL 125 N -1.43 4.44 -0.30 3.44 1.01 -1.26 -5.00 120.40 121.31 1jjj s VAL 125 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1jjj s VAL 125 Cb 0.00 -4.79 -0.02 0.00 0.00 0.00 0.00 36.38 31.58 1jjj s VAL 125 CO 0.00 -1.56 0.53 0.42 0.00 0.00 0.00 175.10 174.49 1jjj s THR 126 N 3.58 5.03 -0.24 3.92 -4.23 -1.26 -3.65 115.64 118.78 1jjj s THR 126 Ca 0.31 0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 61.41 1jjj s THR 126 Cb -0.09 -3.91 -0.02 0.00 1.34 0.00 0.00 72.50 69.83 1jjj s THR 126 CO -0.02 -0.07 0.03 0.00 -0.54 0.00 0.00 174.62 174.03 1jjj s THR 128 N 1.57 4.95 -0.35 0.00 2.01 -1.13 -1.18 115.64 121.51 1jjj s THR 128 Ca 0.06 -0.96 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 1jjj s THR 128 Cb -0.15 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 1jjj s THR 128 CO 0.01 -0.42 0.22 -0.13 -0.69 0.00 0.00 174.62 173.62 1jjj s ARG 129 N 1.60 3.30 -0.20 4.92 0.52 -0.09 -2.94 118.95 126.06 1jjj s ARG 129 Ca 0.04 -0.77 -0.17 0.00 -0.52 0.00 0.00 55.73 54.31 1jjj s ARG 129 Cb -0.21 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 1jjj s ARG 129 CO 0.07 -0.51 0.44 0.42 0.02 0.00 0.00 175.30 175.74 1jjj s ILE 130 N 1.67 5.17 -0.08 1.52 -1.09 -0.58 -0.81 121.20 127.00 1jjj s ILE 130 Ca 0.05 0.79 0.04 0.00 -2.23 0.00 0.00 60.65 59.30 1jjj s ILE 130 Cb -0.18 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1jjj s ILE 130 CO 0.09 0.23 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.51 1jjj s TYR 131 N 1.41 2.15 -0.02 3.97 2.02 -0.61 -1.27 117.35 125.00 1jjj s TYR 131 Ca 0.21 -0.79 -0.24 0.00 -0.37 0.00 0.00 57.07 55.88 1jjj s TYR 131 Cb -0.15 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1jjj s TYR 131 CO 0.09 -0.31 0.71 -1.21 -1.57 0.00 0.00 175.55 173.25 1jjj s GLU 132 N 0.28 4.44 -0.37 -0.62 0.41 0.10 -1.91 118.70 121.03 1jjj s GLU 132 Ca -0.13 0.93 -0.29 0.00 -0.41 0.00 0.00 54.97 55.07 1jjj s GLU 132 Cb -0.16 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 1jjj s GLU 132 CO 0.06 0.17 1.48 0.21 -0.49 0.00 0.00 175.26 176.70 1jjj s LYS 133 N 0.39 3.60 -0.62 1.61 2.20 -1.26 -0.93 119.74 124.73 1jjj s LYS 133 Ca 0.37 1.13 -0.12 0.00 -0.36 0.00 0.00 55.97 57.00 1jjj s LYS 133 Cb -0.19 -4.04 0.16 0.00 -1.51 0.00 0.00 37.83 32.25 1jjj s LYS 133 CO 0.20 -1.53 0.53 0.08 -0.36 0.00 0.00 175.35 174.26 1jjj s VAL 134 N 5.53 4.85 0.00 4.02 1.01 0.54 -5.00 120.40 131.34 1jjj s VAL 134 Ca 0.65 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1jjj s VAL 134 Cb -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1jjj s VAL 134 CO 0.31 -0.89 0.00 -1.84 0.00 0.00 0.00 175.10 172.68