#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n LEU 2 N 0.00 -2.99 -3.62 -0.89 7.94 -1.26 -4.85 117.00 111.33 3kno n LEU 2 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3kno n LEU 2 Cb 0.00 -1.46 -0.07 0.00 0.53 0.00 0.00 43.42 42.42 3kno n LEU 2 CO 0.00 -0.26 0.56 0.00 -1.11 0.00 0.00 177.39 176.58 3kno s MET 3 N -2.76 0.73 1.01 1.96 0.23 -1.26 -4.74 119.30 114.47 3kno s MET 3 Ca 0.01 0.74 -0.16 0.00 -1.03 0.00 0.00 55.69 55.24 3kno s MET 3 Cb -0.00 0.35 0.02 0.00 -1.53 0.00 0.00 34.83 33.67 3kno s MET 3 CO 0.15 -0.11 -0.02 -0.35 -2.03 0.00 0.00 175.02 172.66 3kno n PRO 4 N 2.24 -0.63 -0.07 3.16 -0.04 -1.26 -4.95 135.00 133.46 3kno n PRO 4 Ca -0.14 -0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.09 3kno n PRO 4 Cb 0.56 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 3kno n PRO 4 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3kno n ARG 5 N -0.95 1.65 -4.38 0.54 1.85 -1.26 -5.02 116.66 109.10 3kno n ARG 5 Ca 0.03 -0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.69 3kno n ARG 5 Cb 0.58 -1.36 -0.10 0.00 -1.05 0.00 0.00 32.46 30.52 3kno n ARG 5 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3kno s ARG 6 N -2.34 1.45 -0.28 2.89 1.81 -1.26 -5.16 118.95 116.06 3kno s ARG 6 Ca -0.07 -1.74 -0.23 0.00 -1.72 0.00 0.00 55.73 51.96 3kno s ARG 6 Cb 0.04 -0.84 0.12 0.00 -0.45 0.00 0.00 34.95 33.82 3kno s ARG 6 CO 0.58 -0.06 0.99 -1.64 -0.68 0.00 0.00 175.30 174.49 3kno s MET 7 N -3.82 0.52 0.19 3.54 -1.94 -1.26 -5.01 119.30 111.52 3kno s MET 7 Ca 0.30 0.66 -0.07 0.00 -1.71 0.00 0.00 55.69 54.87 3kno s MET 7 Cb 0.05 0.23 0.10 0.00 2.01 0.00 0.00 34.83 37.22 3kno s MET 7 CO 0.11 -0.07 1.57 0.87 -0.01 0.00 0.00 175.02 177.49 3kno h LYS 8 N 4.62 0.83 -6.08 2.03 1.57 -2.03 -3.44 116.57 114.07 3kno h LYS 8 Ca -0.28 -0.37 -0.56 0.00 -1.87 0.00 0.00 60.65 57.56 3kno h LYS 8 Cb 1.18 -0.02 -0.24 0.00 0.08 0.00 0.00 32.23 33.23 3kno h LYS 8 CO 0.12 1.01 -0.83 0.71 -0.57 0.00 0.00 179.45 179.88 3kno s TYR 9 N -4.52 1.77 0.04 -1.35 1.51 -1.26 -5.07 117.35 108.47 3kno s TYR 9 Ca -0.10 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.63 3kno s TYR 9 Cb 0.12 -1.01 -0.23 0.00 -0.11 0.00 0.00 41.96 40.73 3kno s TYR 9 CO 0.85 0.14 0.98 0.00 -1.11 0.00 0.00 175.55 176.41 3kno h ARG 10 N 4.50 0.06 -4.40 -0.62 3.08 -2.01 -3.48 114.38 111.51 3kno h ARG 10 Ca -0.44 -0.10 -0.27 0.00 0.07 0.00 0.00 59.98 59.24 3kno h ARG 10 Cb 1.17 0.04 -0.23 0.00 0.08 0.00 0.00 29.97 31.03 3kno h ARG 10 CO 0.42 0.86 -0.73 0.15 -1.07 0.00 0.00 179.97 179.59 3kno s LYS 11 N -2.65 0.46 0.19 0.04 1.02 -1.26 -4.75 119.74 112.78 3kno s LYS 11 Ca -0.03 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.39 3kno s LYS 11 Cb 0.09 -0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.09 3kno s LYS 11 CO 0.83 0.05 0.03 1.14 -0.92 0.00 0.00 175.35 176.48 3kno s GLN 12 N -1.17 1.17 0.00 1.68 -2.07 -1.26 -5.05 119.66 112.96 3kno s GLN 12 Ca -0.08 -1.58 0.00 0.00 -1.82 0.00 0.00 55.36 51.88 3kno s GLN 12 Cb -0.08 -0.24 0.00 0.00 -1.09 0.00 0.00 33.01 31.60 3kno s GLN 12 CO 0.00 -0.18 0.00 1.04 -1.32 0.00 0.00 175.29 174.84 3kno n GLN 13 N -0.29 0.39 0.00 9.60 6.02 -1.26 -4.98 117.38 126.87 3kno n GLN 13 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3kno n GLN 13 Cb 0.64 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.90 3kno n GLN 13 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3kno n ARG 14 N 0.00 0.00 0.00 -1.09 1.85 -1.26 -5.07 116.66 111.09 3kno n ARG 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kno n ARG 14 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3kno n ARG 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kno n GLY 15 N -0.65 3.32 0.00 2.89 0.00 -1.26 -5.33 105.19 104.17 3kno n GLY 15 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3kno n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 19 N 0.00 0.15 0.00 -0.02 0.00 -1.26 -5.14 105.19 98.92 3kno n GLY 19 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3kno n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno n ALA 20 N 0.32 0.00 -3.14 4.61 0.00 -1.26 -5.15 120.51 115.88 3kno n ALA 20 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3kno n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kno n ALA 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kno s THR 21 N -4.00 -0.46 0.47 0.00 2.01 -1.26 -3.66 115.64 108.74 3kno s THR 21 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 3kno s THR 21 Cb 0.00 -0.45 0.03 0.00 0.01 0.00 0.00 72.50 72.09 3kno s THR 21 CO 0.00 0.00 0.62 -0.75 -0.69 0.00 0.00 174.62 173.80 3kno s LYS 22 N 2.90 2.62 0.00 4.92 2.20 -1.26 -5.01 119.74 126.10 3kno s LYS 22 Ca 0.23 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.42 3kno s LYS 22 Cb -0.04 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 3kno s LYS 22 CO -0.24 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 3kno n GLY 23 N -1.94 0.00 4.06 5.54 0.00 -1.26 -4.54 105.19 107.05 3kno n GLY 23 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3kno n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kno n GLY 24 N 0.00 -0.28 2.85 -0.02 0.00 -1.26 -4.40 105.19 102.08 3kno n GLY 24 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3kno n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kno n ASP 25 N -2.88 5.27 0.00 1.61 5.75 -1.26 0.07 116.55 125.11 3kno n ASP 25 Ca -0.20 -3.69 0.00 0.00 -0.01 0.00 0.00 54.79 50.90 3kno n ASP 25 Cb 0.63 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3kno n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kno n TYR 26 N -0.18 0.00 0.00 2.11 0.18 -1.26 -4.98 117.16 113.03 3kno n TYR 26 Ca 0.35 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.13 3kno n TYR 26 Cb 0.35 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 3kno n TYR 26 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3kno n VAL 27 N -0.23 0.00 0.00 -3.48 0.31 -1.26 -4.74 118.33 108.94 3kno n VAL 27 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 65.05 3kno n VAL 27 Cb 0.00 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3kno n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kno n ALA 28 N -1.05 0.00 -0.46 3.52 0.00 -1.26 -4.18 120.51 117.08 3kno n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kno n ALA 28 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3kno n ALA 28 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kno n PHE 29 N -1.54 -0.05 0.00 0.00 3.01 -1.26 -5.13 117.46 112.49 3kno n PHE 29 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kno n PHE 29 Cb 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3kno n PHE 29 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kno n GLY 30 N 1.17 -2.81 0.00 1.37 0.00 -1.26 -5.02 105.19 98.64 3kno n GLY 30 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3kno n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kno n ASP 31 N 0.00 0.00 -3.82 1.61 8.00 -0.78 -4.97 116.55 116.59 3kno n ASP 31 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 3kno n ASP 31 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 40.93 3kno n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kno s TYR 32 N -0.92 1.07 0.37 1.24 1.51 -1.26 -3.34 117.35 116.03 3kno s TYR 32 Ca 0.00 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.57 3kno s TYR 32 Cb 0.00 -1.02 -0.05 0.00 -0.11 0.00 0.00 41.96 40.78 3kno s TYR 32 CO 0.00 -0.45 0.07 0.20 -1.11 0.00 0.00 175.55 174.26 3kno s GLY 33 N 1.84 2.35 -0.21 0.71 0.00 -0.30 -1.43 107.32 110.29 3kno s GLY 33 Ca 0.04 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.09 3kno s GLY 33 CO -0.07 -1.88 -0.16 -2.27 0.00 0.00 0.00 173.10 168.72 3kno s LEU 34 N -3.58 2.58 -0.05 0.66 2.96 -0.71 -1.85 118.68 118.68 3kno s LEU 34 Ca 0.30 -0.84 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 3kno s LEU 34 Cb 0.06 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 3kno s LEU 34 CO 0.14 -0.06 0.23 0.54 -1.32 0.00 0.00 176.35 175.88 3kno s VAL 35 N 1.25 5.36 0.54 1.68 0.11 0.16 -0.49 120.40 129.01 3kno s VAL 35 Ca 0.01 0.28 -0.18 0.00 -2.93 0.00 0.00 61.98 59.17 3kno s VAL 35 Cb -0.15 -3.52 -0.06 0.00 -1.53 0.00 0.00 36.38 31.12 3kno s VAL 35 CO -0.10 0.51 1.04 0.00 -3.33 0.00 0.00 175.10 173.22 3kno s ALA 36 N -1.14 2.84 -0.32 1.54 0.00 -0.48 -2.02 121.76 122.17 3kno s ALA 36 Ca 0.21 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.65 3kno s ALA 36 Cb -0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3kno s ALA 36 CO 0.10 -0.53 0.35 1.28 0.00 0.00 0.00 175.76 176.96 3kno n LEU 37 N -1.57 0.66 -3.49 0.00 4.77 -1.15 -1.34 117.00 114.88 3kno n LEU 37 Ca 0.09 -0.71 -0.13 0.00 -0.03 0.00 0.00 56.01 55.23 3kno n LEU 37 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3kno n LEU 37 CO 0.44 0.15 0.54 -1.83 -1.33 0.00 0.00 177.39 175.36 3kno s GLU 38 N -0.93 1.01 0.00 3.23 -1.05 -1.26 -4.74 118.70 114.96 3kno s GLU 38 Ca 0.03 -0.13 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 3kno s GLU 38 Cb 0.03 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 3kno s GLU 38 CO 0.11 -0.39 0.00 -0.35 0.95 0.00 0.00 175.26 175.58 3kno n PRO 39 N 0.18 1.36 0.00 -4.83 -0.04 -1.26 -4.07 135.00 126.34 3kno n PRO 39 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3kno n PRO 39 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 3kno n PRO 39 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kno n ALA 40 N -3.00 0.00 -2.01 0.55 0.00 -0.97 -4.82 120.51 110.25 3kno n ALA 40 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3kno n ALA 40 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3kno n ALA 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kno s TRP 41 N -1.91 3.35 -0.10 0.00 0.51 -1.26 -3.15 118.94 116.38 3kno s TRP 41 Ca 0.00 1.36 0.03 0.00 -2.12 0.00 0.00 56.10 55.38 3kno s TRP 41 Cb 0.00 -2.66 -0.00 0.00 -0.81 0.00 0.00 33.47 30.00 3kno s TRP 41 CO 0.00 -0.00 -0.22 0.42 -0.51 0.00 0.00 176.95 176.64 3kno s ILE 42 N -2.09 2.25 0.53 2.03 1.09 -0.92 -4.89 121.20 119.20 3kno s ILE 42 Ca 0.57 -0.96 -0.14 0.00 -1.10 0.00 0.00 60.65 59.03 3kno s ILE 42 Cb -0.10 -1.87 -0.06 0.00 -1.06 0.00 0.00 42.46 39.37 3kno s ILE 42 CO 0.17 0.55 0.97 0.42 -0.10 0.00 0.00 174.94 176.95 3kno s THR 43 N 0.29 4.63 -0.83 2.92 -4.23 -1.26 -1.60 115.64 115.57 3kno s THR 43 Ca -0.16 1.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.49 3kno s THR 43 Cb -0.17 -3.77 0.13 0.00 1.34 0.00 0.00 72.50 70.03 3kno s THR 43 CO 0.08 -0.82 1.45 0.00 -0.54 0.00 0.00 174.62 174.78 3kno n ALA 44 N -1.94 1.49 0.10 3.99 0.00 -1.19 -0.90 120.51 122.06 3kno n ALA 44 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 3kno n ALA 44 Cb 0.54 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 3kno n ALA 44 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3kno h GLN 45 N 0.00 0.00 0.06 0.00 1.08 -1.89 -2.40 115.11 111.97 3kno h GLN 45 Ca 0.00 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.86 3kno h GLN 45 Cb 0.21 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 3kno h GLN 45 CO 0.00 0.74 -1.90 1.04 -0.95 0.00 0.00 178.83 177.76 3kno n GLN 46 N -3.34 0.68 0.21 1.46 6.02 -0.08 -2.41 117.38 119.92 3kno n GLN 46 Ca 0.01 0.34 -0.15 0.00 -0.01 0.00 0.00 57.00 57.18 3kno n GLN 46 Cb 0.81 -1.68 -0.08 0.00 1.02 0.00 0.00 30.24 30.31 3kno n GLN 46 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3kno h ILE 47 N -0.32 0.00 -0.37 5.09 2.04 -1.35 -0.08 117.51 122.52 3kno h ILE 47 Ca -0.45 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.49 3kno h ILE 47 Cb 1.78 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 3kno h ILE 47 CO -0.06 0.00 -0.23 -0.08 0.00 0.00 0.00 178.15 177.78 3kno h GLU 48 N -0.79 -0.16 -0.62 2.37 4.57 -1.61 0.15 114.58 118.47 3kno h GLU 48 Ca -0.04 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.30 3kno h GLU 48 Cb 0.71 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 3kno h GLU 48 CO -0.09 -0.11 0.43 0.00 -1.18 0.00 0.00 179.01 178.06 3kno h ALA 49 N 1.02 2.38 0.07 2.92 0.00 -1.08 0.36 119.26 124.94 3kno h ALA 49 Ca 0.18 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 3kno h ALA 49 Cb 0.45 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kno h ALA 49 CO -0.47 -0.55 -1.60 0.00 0.00 0.00 0.00 179.25 176.62 3kno h ALA 50 N 1.70 0.45 0.59 0.00 0.00 -0.01 -2.89 119.26 119.09 3kno h ALA 50 Ca 0.30 -1.24 -0.03 0.00 0.00 0.00 0.00 54.91 53.94 3kno h ALA 50 Cb 0.98 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.14 3kno h ALA 50 CO -0.04 1.31 -0.28 -0.09 0.00 0.00 0.00 179.25 180.14 3kno h ARG 51 N 0.04 -0.76 -0.17 0.00 2.43 0.48 -2.46 114.38 113.93 3kno h ARG 51 Ca -0.26 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 3kno h ARG 51 Cb 1.99 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.71 3kno h ARG 51 CO 0.12 -0.46 0.14 -0.24 -1.51 0.00 0.00 179.97 178.02 3kno h VAL 52 N -0.97 0.81 -0.06 0.20 3.04 -0.48 -2.20 116.25 116.60 3kno h VAL 52 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 3kno h VAL 52 Cb 0.66 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3kno h VAL 52 CO 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.69 3kno h ALA 53 N 1.89 0.08 0.42 3.17 0.00 -1.27 -3.20 119.26 120.35 3kno h ALA 53 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3kno h ALA 53 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kno h ALA 53 CO -0.00 -0.25 -0.20 0.52 0.00 0.00 0.00 179.25 179.31 3kno h MET 54 N -0.19 -0.55 -1.99 0.00 2.86 -0.95 -2.04 114.93 112.08 3kno h MET 54 Ca 0.02 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3kno h MET 54 Cb 0.33 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3kno h MET 54 CO 0.00 -0.30 0.00 1.55 1.06 0.00 0.00 176.91 179.22 3kno n VAL 55 N -5.29 0.70 0.00 -2.22 3.14 -0.88 0.44 118.33 114.21 3kno n VAL 55 Ca -0.11 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3kno n VAL 55 Cb 0.27 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 3kno n VAL 55 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3kno n ARG 56 N 1.79 0.00 0.04 1.45 0.00 -0.94 -4.65 116.66 114.34 3kno n ARG 56 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 3kno n ARG 56 Cb 0.18 -0.34 0.31 0.00 0.00 0.00 0.00 32.46 32.60 3kno n ARG 56 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3kno n HIS 57 N -1.60 0.21 -2.85 -0.14 -0.00 0.17 -3.59 115.22 107.42 3kno n HIS 57 Ca 0.00 0.09 -0.09 0.00 0.46 0.00 0.00 57.72 58.18 3kno n HIS 57 Cb 0.00 -0.65 0.01 0.00 -0.12 0.00 0.00 29.99 29.23 3kno n HIS 57 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 3kno n PHE 58 N -1.70 -3.08 -0.33 1.57 1.16 -1.04 -4.98 117.46 109.05 3kno n PHE 58 Ca 0.02 -1.89 0.36 0.00 -1.87 0.00 0.00 57.45 54.07 3kno n PHE 58 Cb 0.14 1.25 0.65 0.00 -1.61 0.00 0.00 39.48 39.90 3kno n PHE 58 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3kno h ARG 59 N 4.57 0.00 -1.45 3.97 3.08 -1.82 2.12 114.38 124.85 3kno h ARG 59 Ca -0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3kno h ARG 59 Cb 1.04 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.73 3kno h ARG 59 CO 0.21 0.00 -0.00 0.54 -1.07 0.00 0.00 179.97 179.65 3kno n ARG 60 N -3.66 3.17 -2.05 0.04 1.74 -1.26 -4.99 116.66 109.64 3kno n ARG 60 Ca 0.28 -3.99 -0.29 0.00 -0.77 0.00 0.00 57.85 53.07 3kno n ARG 60 Cb 1.50 -2.27 0.17 0.00 -1.02 0.00 0.00 32.46 30.84 3kno n ARG 60 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3kno s GLY 61 N -2.60 1.77 0.12 -0.13 0.00 0.72 -5.04 107.32 102.15 3kno s GLY 61 Ca 0.52 -1.26 0.09 0.00 0.00 0.00 0.00 44.72 44.07 3kno s GLY 61 CO -0.19 -0.54 -0.17 -0.32 0.00 0.00 0.00 173.10 171.88 3kno s GLY 62 N -4.84 1.71 0.00 0.20 0.00 -1.11 -5.00 107.32 98.27 3kno s GLY 62 Ca 0.72 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3kno s GLY 62 CO 0.51 -1.32 0.00 1.17 0.00 0.00 0.00 173.10 173.47 3kno n LYS 63 N 0.78 0.00 -3.14 2.90 3.00 -1.25 -3.60 118.16 116.85 3kno n LYS 63 Ca -0.15 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.75 3kno n LYS 63 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.49 3kno n LYS 63 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3kno s ILE 64 N 0.00 5.01 -0.27 3.15 1.01 -1.26 -3.32 121.20 125.52 3kno s ILE 64 Ca 0.00 1.08 -0.11 0.00 0.00 0.00 0.00 60.65 61.62 3kno s ILE 64 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 3kno s ILE 64 CO 0.00 0.06 0.19 -0.36 0.00 0.00 0.00 174.94 174.83 3kno s PHE 65 N 2.34 3.25 -0.89 3.97 0.08 0.27 -4.98 117.98 122.03 3kno s PHE 65 Ca 0.25 0.16 -0.00 0.00 0.12 0.00 0.00 56.93 57.46 3kno s PHE 65 Cb -0.16 -2.36 0.26 0.00 -0.57 0.00 0.00 43.02 40.19 3kno s PHE 65 CO 0.09 -0.10 1.01 0.44 -0.10 0.00 0.00 175.22 176.55 3kno n ILE 66 N 4.86 3.62 0.20 0.64 -5.35 -1.26 -1.59 119.36 120.48 3kno n ILE 66 Ca -0.14 -5.42 0.00 0.00 -0.27 0.00 0.00 62.75 56.92 3kno n ILE 66 Cb 0.52 -2.21 0.00 0.00 -1.74 0.00 0.00 39.64 36.21 3kno n ILE 66 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3kno n ARG 67 N 1.58 0.15 -4.53 6.28 1.74 -0.97 -4.65 116.66 116.26 3kno n ARG 67 Ca 0.26 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 57.08 3kno n ARG 67 Cb 0.37 -1.05 -0.09 0.00 -1.02 0.00 0.00 32.46 30.68 3kno n ARG 67 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3kno s ILE 68 N -1.39 0.85 -0.29 0.55 -4.36 -1.25 -4.92 121.20 110.40 3kno s ILE 68 Ca 0.00 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.21 3kno s ILE 68 Cb 0.00 -2.46 0.14 0.00 1.25 0.00 0.00 42.46 41.39 3kno s ILE 68 CO 0.00 0.00 0.97 0.12 0.24 0.00 0.00 174.94 176.27 3kno s PHE 69 N -3.19 -0.58 -0.41 1.37 5.36 -1.26 -5.13 117.98 114.14 3kno s PHE 69 Ca 0.25 1.21 -0.27 0.00 -0.96 0.00 0.00 56.93 57.17 3kno s PHE 69 Cb 0.04 0.37 0.02 0.00 -0.34 0.00 0.00 43.02 43.11 3kno s PHE 69 CO 0.13 -0.29 1.00 -1.25 -1.46 0.00 0.00 175.22 173.35 3kno s PRO 70 N 1.10 3.76 -0.02 10.12 0.04 -1.26 -4.44 135.00 144.30 3kno s PRO 70 Ca -0.06 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.54 3kno s PRO 70 Cb -0.04 -3.85 0.04 0.00 0.04 0.00 0.00 34.50 30.69 3kno s PRO 70 CO -0.13 -1.12 0.87 -0.40 0.04 0.00 0.00 177.00 176.26 3kno n ASP 71 N 7.15 0.57 -4.31 6.66 5.75 -1.13 -4.16 116.55 127.08 3kno n ASP 71 Ca 0.09 -1.87 -0.43 0.00 -0.01 0.00 0.00 54.79 52.58 3kno n ASP 71 Cb 0.48 -0.15 -0.08 0.00 -1.03 0.00 0.00 41.12 40.34 3kno n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3kno s LYS 72 N -0.55 2.78 0.11 0.11 2.20 -0.68 -4.91 119.74 118.81 3kno s LYS 72 Ca 0.05 -1.49 -0.35 0.00 -0.36 0.00 0.00 55.97 53.82 3kno s LYS 72 Cb 0.04 -4.00 -0.14 0.00 -1.51 0.00 0.00 37.83 32.22 3kno s LYS 72 CO 0.00 -1.06 1.54 -2.30 -0.36 0.00 0.00 175.35 173.18 3kno n PRO 73 N 5.07 1.87 -3.97 4.03 -0.02 -1.26 -1.45 135.00 139.27 3kno n PRO 73 Ca -0.11 0.68 -0.36 0.00 -2.02 0.00 0.00 63.50 61.69 3kno n PRO 73 Cb 0.43 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 3kno n PRO 73 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3kno s TYR 74 N 1.08 3.44 0.15 6.00 5.04 0.22 -4.44 117.35 128.84 3kno s TYR 74 Ca 0.82 0.37 0.08 0.00 -2.44 0.00 0.00 57.07 55.90 3kno s TYR 74 Cb -0.76 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 39.55 3kno s TYR 74 CO 0.42 0.54 -0.17 0.99 -1.34 0.00 0.00 175.55 175.99 3kno s THR 75 N -0.60 1.69 -0.28 4.34 2.01 -1.26 0.12 115.64 121.66 3kno s THR 75 Ca 0.12 -1.87 -0.23 0.00 0.31 0.00 0.00 61.69 60.02 3kno s THR 75 Cb -0.12 -1.77 0.12 0.00 0.01 0.00 0.00 72.50 70.75 3kno s THR 75 CO 0.02 -0.34 0.98 -0.75 -0.69 0.00 0.00 174.62 173.84 3kno s LYS 76 N -2.77 0.52 0.10 4.92 2.20 -1.08 -4.85 119.74 118.78 3kno s LYS 76 Ca 0.14 0.67 -0.25 0.00 -0.36 0.00 0.00 55.97 56.17 3kno s LYS 76 Cb -0.05 0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 36.43 3kno s LYS 76 CO 0.06 -0.07 0.77 0.15 -0.36 0.00 0.00 175.35 175.89 3kno s LYS 77 N 0.47 4.52 -0.55 4.03 1.02 -1.26 -2.53 119.74 125.44 3kno s LYS 77 Ca 0.01 1.10 -0.35 0.00 0.02 0.00 0.00 55.97 56.75 3kno s LYS 77 Cb -0.05 -3.31 -0.15 0.00 -0.52 0.00 0.00 37.83 33.80 3kno s LYS 77 CO -0.08 0.43 2.33 -2.30 -0.92 0.00 0.00 175.35 174.82 3kno n PRO 78 N 2.18 0.61 0.00 -1.68 -0.02 -1.26 -4.74 135.00 130.09 3kno n PRO 78 Ca -0.04 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3kno n PRO 78 Cb 0.49 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3kno n PRO 78 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3kno n LEU 79 N 10.38 0.00 0.00 2.45 4.77 -1.26 -2.36 117.00 130.97 3kno n LEU 79 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 3kno n LEU 79 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kno n LEU 79 CO 0.82 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 176.26 3kno n GLU 80 N 0.00 -0.20 -3.46 3.23 1.02 -1.26 -5.00 120.64 114.96 3kno n GLU 80 Ca 0.00 0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 56.81 3kno n GLU 80 Cb 0.00 -3.30 -0.06 0.00 -0.02 0.00 0.00 31.44 28.06 3kno n GLU 80 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3kno s VAL 81 N -2.61 5.07 0.76 2.62 -7.23 -1.00 -5.06 120.40 112.96 3kno s VAL 81 Ca 0.00 0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 60.91 3kno s VAL 81 Cb 0.00 -3.73 0.05 0.00 0.56 0.00 0.00 36.38 33.25 3kno s VAL 81 CO 0.00 0.51 1.10 0.00 -0.31 0.00 0.00 175.10 176.40 3kno s ARG 82 N -0.59 2.42 1.01 4.82 1.70 -1.26 -4.96 118.95 122.09 3kno s ARG 82 Ca 0.24 0.58 -0.24 0.00 -0.47 0.00 0.00 55.73 55.84 3kno s ARG 82 Cb -0.16 -1.96 -0.16 0.00 -0.57 0.00 0.00 34.95 32.10 3kno s ARG 82 CO 0.12 -1.37 -1.20 -1.33 -1.08 0.00 0.00 175.30 170.44 3kno n MET 83 N -3.25 -0.12 0.00 3.89 2.81 -1.26 -4.82 117.12 114.37 3kno n MET 83 Ca 0.07 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3kno n MET 83 Cb 0.56 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.00 3kno n MET 83 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kno n GLY 84 N 3.34 -0.34 2.10 3.03 0.00 -1.26 -4.95 105.19 107.12 3kno n GLY 84 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 3kno n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kno n LYS 85 N -1.36 -1.16 0.00 1.61 4.76 -1.26 -4.89 118.16 115.86 3kno n LYS 85 Ca 0.00 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 3kno n LYS 85 Cb 0.00 -3.86 0.00 0.00 -1.84 0.00 0.00 35.03 29.33 3kno n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kno n GLY 86 N -0.98 0.57 3.59 0.72 0.00 -1.26 -4.98 105.19 102.86 3kno n GLY 86 Ca -0.04 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 3kno n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kno s LYS 87 N -1.05 3.90 0.43 1.61 2.20 -1.26 -5.08 119.74 120.49 3kno s LYS 87 Ca 0.00 -0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.12 3kno s LYS 87 Cb 0.00 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 33.07 3kno s LYS 87 CO 0.00 0.23 -0.60 0.41 -0.36 0.00 0.00 175.35 175.03 3kno n GLY 88 N 3.66 -1.24 3.71 5.54 0.00 -1.26 -4.92 105.19 110.69 3kno n GLY 88 Ca -0.17 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3kno n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kno s ASN 89 N -0.48 7.04 0.11 1.61 -0.87 -1.05 -4.66 114.94 116.63 3kno s ASN 89 Ca 0.14 1.25 -0.35 0.00 -1.57 0.00 0.00 52.86 52.33 3kno s ASN 89 Cb 0.04 -2.44 -0.14 0.00 -0.02 0.00 0.00 41.25 38.69 3kno s ASN 89 CO 0.25 -0.16 1.56 0.52 -2.57 0.00 0.00 177.10 176.71 3kno n VAL 90 N 3.87 0.07 0.22 1.60 0.31 -1.26 -2.63 118.33 120.50 3kno n VAL 90 Ca 0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 64.34 64.34 3kno n VAL 90 Cb 0.51 -1.41 -0.00 0.00 -0.91 0.00 0.00 33.84 32.03 3kno n VAL 90 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kno n GLU 91 N 3.62 2.89 -3.38 5.55 -0.58 0.33 -4.93 120.64 124.15 3kno n GLU 91 Ca 0.18 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3kno n GLU 91 Cb 0.26 -0.89 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 3kno n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kno n GLY 92 N 0.74 -1.70 3.25 0.62 0.00 -1.21 -5.00 105.19 101.89 3kno n GLY 92 Ca 0.02 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 3kno n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kno s TYR 93 N -2.18 1.76 0.03 1.61 1.51 -1.26 0.71 117.35 119.52 3kno s TYR 93 Ca 0.00 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 3kno s TYR 93 Cb 0.00 -1.03 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 3kno s TYR 93 CO 0.00 0.11 -0.04 0.14 -1.11 0.00 0.00 175.55 174.65 3kno s VAL 94 N -0.88 0.22 -0.01 0.71 -7.23 -0.53 -3.18 120.40 109.50 3kno s VAL 94 Ca 0.07 -0.99 -0.13 0.00 -1.81 0.00 0.00 61.98 59.12 3kno s VAL 94 Cb -0.09 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 36.40 3kno s VAL 94 CO 0.02 -0.49 0.36 0.00 -0.31 0.00 0.00 175.10 174.68 3kno s ALA 95 N -1.54 3.73 -1.26 1.32 0.00 -0.63 -1.69 121.76 121.69 3kno s ALA 95 Ca -0.14 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.36 3kno s ALA 95 Cb -0.09 -2.30 0.13 0.00 0.00 0.00 0.00 23.12 20.86 3kno s ALA 95 CO -0.01 0.52 1.62 0.28 0.00 0.00 0.00 175.76 178.17 3kno n VAL 96 N 1.70 4.11 -3.09 0.00 0.31 -1.26 -2.16 118.33 117.93 3kno n VAL 96 Ca -0.14 -4.39 -0.40 0.00 -0.01 0.00 0.00 64.34 59.40 3kno n VAL 96 Cb 0.53 -2.42 -0.05 0.00 -0.91 0.00 0.00 33.84 30.98 3kno n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kno s VAL 97 N 2.51 5.02 0.45 2.52 1.01 -1.19 -5.02 120.40 125.70 3kno s VAL 97 Ca 0.47 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.74 3kno s VAL 97 Cb 0.02 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3kno s VAL 97 CO 0.03 0.13 0.03 -0.54 0.00 0.00 0.00 175.10 174.75 3kno s LYS 98 N 1.74 2.03 1.08 2.72 1.02 -1.26 -2.29 119.74 124.77 3kno s LYS 98 Ca 0.31 -2.24 -0.19 0.00 0.02 0.00 0.00 55.97 53.87 3kno s LYS 98 Cb -0.16 -1.33 0.04 0.00 -0.52 0.00 0.00 37.83 35.86 3kno s LYS 98 CO 0.11 -0.28 -0.22 -2.30 -0.92 0.00 0.00 175.35 171.75 3kno n PRO 99 N -1.06 -1.16 0.00 -1.68 -0.02 -1.24 -3.49 135.00 126.35 3kno n PRO 99 Ca -0.11 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 3kno n PRO 99 Cb 0.67 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 3kno n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kno n GLY 100 N 2.24 0.68 0.00 -1.23 0.00 -0.45 -4.72 105.19 101.71 3kno n GLY 100 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kno n GLY 100 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kno n ARG 101 N 0.00 0.00 -2.81 1.61 3.00 -1.23 -3.39 116.66 113.84 3kno n ARG 101 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 3kno n ARG 101 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 3kno n ARG 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3kno s VAL 102 N 0.00 4.65 -0.12 5.15 1.01 0.11 -1.39 120.40 129.82 3kno s VAL 102 Ca 0.00 1.36 -0.05 0.00 0.00 0.00 0.00 61.98 63.29 3kno s VAL 102 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 3kno s VAL 102 CO 0.00 -0.40 0.02 0.24 0.00 0.00 0.00 175.10 174.97 3kno h MET 103 N 8.19 0.00 0.00 2.72 0.00 -1.09 -3.41 114.93 121.34 3kno h MET 103 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 59.70 59.06 3kno h MET 103 Cb 1.08 0.00 -0.09 0.00 0.00 0.00 0.00 31.60 32.59 3kno h MET 103 CO 0.96 0.11 -0.34 1.19 0.00 0.00 0.00 176.91 178.83 3kno n PHE 104 N -4.72 0.21 0.00 -0.22 3.01 -1.22 -2.29 117.46 112.24 3kno n PHE 104 Ca -0.03 -1.87 0.00 0.00 1.01 0.00 0.00 57.45 56.56 3kno n PHE 104 Cb 0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 3kno n PHE 104 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 3kno n GLU 105 N -0.70 0.00 -0.13 -1.08 0.28 -0.62 -1.74 120.64 116.65 3kno n GLU 105 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 3kno n GLU 105 Cb 0.44 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.31 3kno n GLU 105 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3kno n VAL 106 N -0.10 0.00 0.00 3.84 0.24 -0.51 0.97 118.33 122.77 3kno n VAL 106 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kno n VAL 106 Cb 0.00 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 3kno n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kno n ALA 107 N -3.00 0.00 -2.37 2.33 0.00 -1.21 -1.88 120.51 114.38 3kno n ALA 107 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3kno n ALA 107 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kno n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kno n GLY 108 N -0.07 0.74 3.45 0.00 0.00 -1.26 -2.75 105.19 105.29 3kno n GLY 108 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.14 3kno n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kno s VAL 109 N -2.70 0.01 0.25 1.61 1.01 -1.26 -4.26 120.40 115.06 3kno s VAL 109 Ca 0.01 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 3kno s VAL 109 Cb -0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 36.38 35.35 3kno s VAL 109 CO 0.02 -0.06 1.00 1.07 0.00 0.00 0.00 175.10 177.12 3kno n THR 110 N 1.36 1.72 -0.32 3.92 5.66 -1.26 -4.66 114.28 120.70 3kno n THR 110 Ca -0.19 -0.43 0.14 0.00 -3.05 0.00 0.00 64.05 60.52 3kno n THR 110 Cb 0.57 -0.87 0.37 0.00 -1.55 0.00 0.00 70.33 68.84 3kno n THR 110 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3kno h GLU 111 N 2.24 0.67 -0.09 1.09 4.81 -2.01 0.53 114.58 121.82 3kno h GLU 111 Ca -0.39 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.75 3kno h GLU 111 Cb 1.35 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3kno h GLU 111 CO 0.63 0.44 -0.16 1.05 -0.73 0.00 0.00 179.01 180.24 3kno h GLU 112 N 0.69 0.15 0.15 1.92 4.11 -2.02 -2.89 114.58 116.69 3kno h GLU 112 Ca 0.54 -0.03 -0.29 0.00 0.07 0.00 0.00 59.36 59.64 3kno h GLU 112 Cb 0.93 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.17 3kno h GLU 112 CO -0.30 0.31 -1.28 1.96 0.07 0.00 0.00 179.01 179.77 3kno h GLN 113 N 0.14 0.38 0.00 1.06 4.20 -0.34 -3.23 115.11 117.32 3kno h GLN 113 Ca 0.03 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.12 3kno h GLN 113 Cb 0.37 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3kno h GLN 113 CO 0.02 1.28 0.00 0.00 -0.67 0.00 0.00 178.83 179.47 3kno n ALA 114 N -2.59 2.23 -0.04 3.87 0.00 -0.31 -2.42 120.51 121.24 3kno n ALA 114 Ca -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 3kno n ALA 114 Cb 1.03 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 3kno n ALA 114 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3kno h MET 115 N 0.00 0.00 0.00 0.00 2.86 -1.55 -3.11 114.93 113.13 3kno h MET 115 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kno h MET 115 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3kno h MET 115 CO 0.00 0.00 0.00 -1.91 1.06 0.00 0.00 176.91 176.06 3kno n GLU 116 N -3.76 0.69 -0.08 1.72 4.07 -1.23 -0.43 120.64 121.62 3kno n GLU 116 Ca -0.04 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.95 3kno n GLU 116 Cb 0.14 -1.29 -0.15 0.00 -0.06 0.00 0.00 31.44 30.09 3kno n GLU 116 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kno n ALA 117 N -0.79 1.47 -0.03 4.31 0.00 -1.02 -3.99 120.51 120.47 3kno n ALA 117 Ca 0.10 -1.15 0.05 0.00 0.00 0.00 0.00 53.44 52.43 3kno n ALA 117 Cb 0.04 -0.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.98 3kno n ALA 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kno n LEU 118 N -2.89 0.07 0.21 0.00 4.77 -0.91 -4.07 117.00 114.18 3kno n LEU 118 Ca -0.30 0.03 0.07 0.00 -0.03 0.00 0.00 56.01 55.77 3kno n LEU 118 Cb 1.11 0.13 0.44 0.00 -2.33 0.00 0.00 43.42 42.77 3kno n LEU 118 CO 0.42 0.13 0.76 -0.09 -1.33 0.00 0.00 177.39 177.28 3kno h ARG 119 N 0.00 0.00 0.38 3.23 2.43 -0.95 -2.81 114.38 116.66 3kno h ARG 119 Ca -0.15 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3kno h ARG 119 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3kno h ARG 119 CO 0.01 0.31 -0.18 0.82 -1.51 0.00 0.00 179.97 179.42 3kno h ILE 120 N 0.00 0.54 -1.01 1.20 1.08 -1.71 -2.93 117.51 114.68 3kno h ILE 120 Ca -0.00 -0.58 0.23 0.00 -0.39 0.00 0.00 64.86 64.12 3kno h ILE 120 Cb 0.70 0.78 -0.11 0.00 -3.07 0.00 0.00 36.82 35.12 3kno h ILE 120 CO 0.04 0.09 0.62 0.00 -0.69 0.00 0.00 178.15 178.21 3kno h ALA 121 N -0.46 1.90 -1.01 1.87 0.00 -1.68 0.96 119.26 120.83 3kno h ALA 121 Ca -0.05 0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.21 3kno h ALA 121 Cb 0.54 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 3kno h ALA 121 CO 0.08 -0.31 0.60 0.78 0.00 0.00 0.00 179.25 180.40 3kno h GLY 122 N 0.58 1.89 0.67 0.00 0.00 -1.30 0.25 103.07 105.16 3kno h GLY 122 Ca 0.60 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.54 3kno h GLY 122 CO -0.38 -0.29 -0.39 0.45 0.00 0.00 0.00 176.54 175.93 3kno h HIS 123 N 0.51 0.47 0.00 5.60 -0.00 -0.85 -3.03 115.15 117.85 3kno h HIS 123 Ca 0.66 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 3kno h HIS 123 Cb 1.36 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 3kno h HIS 123 CO -0.01 1.00 0.00 1.63 -0.00 0.00 0.00 177.93 180.55 3kno n LYS 124 N -4.38 0.14 -4.75 2.45 4.76 0.70 -4.57 118.16 112.51 3kno n LYS 124 Ca -0.09 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.03 3kno n LYS 124 Cb 0.55 -1.44 -0.12 0.00 -1.84 0.00 0.00 35.03 32.18 3kno n LYS 124 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kno s LEU 125 N -1.87 2.82 0.00 -0.35 1.43 -0.19 -4.70 118.68 115.81 3kno s LEU 125 Ca 0.06 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.02 3kno s LEU 125 Cb 0.03 -1.60 0.39 0.00 0.03 0.00 0.00 46.19 45.03 3kno s LEU 125 CO 0.04 0.32 1.25 -0.81 0.23 0.00 0.00 176.35 177.38 3kno n PRO 126 N 2.01 0.03 -4.51 1.29 -0.04 -1.26 -4.78 135.00 127.74 3kno n PRO 126 Ca -0.17 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 3kno n PRO 126 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 3kno n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3kno s ILE 127 N -2.90 0.85 0.07 0.52 -4.36 -1.26 -5.13 121.20 108.99 3kno s ILE 127 Ca 0.05 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.18 3kno s ILE 127 Cb 0.06 -2.50 -0.06 0.00 1.25 0.00 0.00 42.46 41.21 3kno s ILE 127 CO 0.15 0.00 0.81 -0.54 0.24 0.00 0.00 174.94 175.60 3kno s LYS 128 N -3.79 4.55 0.52 0.37 1.02 -1.26 -4.87 119.74 116.27 3kno s LYS 128 Ca 0.27 1.16 0.02 0.00 0.02 0.00 0.00 55.97 57.44 3kno s LYS 128 Cb 0.05 -3.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.00 3kno s LYS 128 CO 0.14 0.30 0.08 0.95 -0.92 0.00 0.00 175.35 175.90 3kno s THR 129 N -0.17 1.24 -0.23 2.17 -4.23 -1.26 -2.94 115.64 110.21 3kno s THR 129 Ca 0.40 -1.91 -0.19 0.00 -1.18 0.00 0.00 61.69 58.81 3kno s THR 129 Cb -0.21 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.55 3kno s THR 129 CO 0.25 0.00 0.61 -0.75 -0.54 0.00 0.00 174.62 174.19 3kno s LYS 130 N -3.96 0.69 0.60 3.99 2.20 -0.86 -4.94 119.74 117.47 3kno s LYS 130 Ca 0.10 0.91 0.04 0.00 -0.36 0.00 0.00 55.97 56.67 3kno s LYS 130 Cb 0.01 0.28 0.08 0.00 -1.51 0.00 0.00 37.83 36.69 3kno s LYS 130 CO 0.06 -0.10 0.83 0.96 -0.36 0.00 0.00 175.35 176.74 3kno s ILE 131 N 0.64 2.34 0.00 5.43 -4.36 -1.26 0.38 121.20 124.36 3kno s ILE 131 Ca -0.02 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.57 3kno s ILE 131 Cb -0.05 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3kno s ILE 131 CO -0.04 0.00 0.00 1.33 0.24 0.00 0.00 174.94 176.47 3kno n VAL 132 N -2.42 0.00 -1.62 8.37 0.24 -0.77 -4.87 118.33 117.25 3kno n VAL 132 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 3kno n VAL 132 Cb 0.61 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3kno n VAL 132 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kno n ARG 133 N -0.29 1.95 -0.80 7.34 1.74 -1.26 -1.14 116.66 124.20 3kno n ARG 133 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3kno n ARG 133 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 3kno n ARG 133 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kno n ARG 134 N -0.25 1.81 0.00 5.56 1.74 -1.21 -4.81 116.66 119.50 3kno n ARG 134 Ca 0.00 -1.90 0.00 0.00 -0.77 0.00 0.00 57.85 55.18 3kno n ARG 134 Cb 0.00 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 3kno n ARG 134 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3kno n ASP 135 N -0.47 0.00 0.23 0.55 5.75 -1.26 -4.23 116.55 117.12 3kno n ASP 135 Ca 0.38 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 55.31 3kno n ASP 135 Cb 1.16 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 41.79 3kno n ASP 135 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kno h ALA 136 N -2.80 1.00 -2.39 2.12 0.00 -2.04 -3.36 119.26 111.79 3kno h ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kno h ALA 136 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kno h ALA 136 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3kno n TYR 137 N -2.88 0.00 -2.40 0.00 0.53 -1.26 -4.90 117.16 106.25 3kno n TYR 137 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 3kno n TYR 137 Cb 0.34 -0.10 0.00 0.00 -1.03 0.00 0.00 39.34 38.55 3kno n TYR 137 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3kno n ASP 138 N -1.26 -4.91 -4.14 7.72 8.00 -1.26 -4.89 116.55 115.80 3kno n ASP 138 Ca 0.00 0.83 -0.38 0.00 0.71 0.00 0.00 54.79 55.95 3kno n ASP 138 Cb 0.00 -1.31 -0.09 0.00 -0.02 0.00 0.00 41.12 39.70 3kno n ASP 138 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3kno s GLU 139 N 0.00 2.44 -0.30 -1.24 2.56 -1.26 -4.94 118.70 115.96 3kno s GLU 139 Ca 0.00 -2.15 -0.13 0.00 0.00 0.00 0.00 54.97 52.69 3kno s GLU 139 Cb 0.00 -3.77 0.18 0.00 2.00 0.00 0.00 34.13 32.54 3kno s GLU 139 CO 0.00 -1.15 1.05 0.00 -0.56 0.00 0.00 175.26 174.60 3kno s ALA 140 N 0.61 -3.46 -0.50 6.30 0.00 -1.26 -5.16 121.76 118.29 3kno s ALA 140 Ca 0.12 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3kno s ALA 140 Cb -0.22 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3kno s ALA 140 CO -0.03 -1.47 0.12 1.04 0.00 0.00 0.00 175.76 175.42