#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9s n SER 4 N 0.00 0.64 -0.24 0.00 3.41 -1.26 -3.94 113.62 112.24 3m9s n SER 4 Ca 0.00 -0.43 0.04 0.00 -0.26 0.00 0.00 58.87 58.23 3m9s n SER 4 Cb 0.00 0.25 0.16 0.00 -0.26 0.00 0.00 64.21 64.36 3m9s n SER 4 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3m9s h SER 5 N 0.29 -0.04 -0.96 4.04 4.64 -1.98 -0.50 113.55 119.03 3m9s h SER 5 Ca 0.00 0.15 0.30 0.00 -0.47 0.00 0.00 61.79 61.77 3m9s h SER 5 Cb 0.50 0.21 -0.16 0.00 -0.31 0.00 0.00 62.40 62.64 3m9s h SER 5 CO 0.00 -0.05 0.31 -0.33 -0.87 0.00 0.00 176.83 175.89 3m9s h GLU 6 N 0.24 0.12 -0.19 4.77 5.08 -1.98 1.00 114.58 123.63 3m9s h GLU 6 Ca 0.39 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.57 3m9s h GLU 6 Cb 0.66 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3m9s h GLU 6 CO -0.51 0.08 -0.62 -0.09 -1.00 0.00 0.00 179.01 176.88 3m9s h ARG 7 N 0.13 0.65 -0.01 2.33 2.43 -1.37 -1.82 114.38 116.71 3m9s h ARG 7 Ca 0.67 -0.45 -0.16 0.00 -0.81 0.00 0.00 59.98 59.24 3m9s h ARG 7 Cb 1.51 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 3m9s h ARG 7 CO -0.74 1.06 -0.71 1.49 -1.51 0.00 0.00 179.97 179.56 3m9s h GLU 8 N 0.48 0.09 -0.46 0.20 4.57 -0.00 -0.08 114.58 119.37 3m9s h GLU 8 Ca -0.01 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 3m9s h GLU 8 Cb 1.19 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.78 3m9s h GLU 8 CO 0.12 0.76 0.10 1.25 -1.18 0.00 0.00 179.01 180.06 3m9s h LEU 9 N 0.06 0.72 -0.69 1.64 5.85 0.87 -0.68 115.31 123.08 3m9s h LEU 9 Ca -0.01 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 3m9s h LEU 9 Cb 1.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3m9s h LEU 9 CO 0.10 0.78 -0.06 1.88 -0.34 0.00 0.00 178.44 180.80 3m9s h TYR 10 N 0.63 1.05 -0.87 1.25 0.05 -1.24 -0.57 116.97 117.26 3m9s h TYR 10 Ca 0.14 -0.19 0.15 0.00 0.05 0.00 0.00 58.73 58.88 3m9s h TYR 10 Cb 0.35 -0.27 -0.09 0.00 1.01 0.00 0.00 36.73 37.73 3m9s h TYR 10 CO 0.02 0.97 0.47 1.49 -1.05 0.00 0.00 178.16 180.06 3m9s h GLU 11 N 0.87 0.65 0.00 4.88 4.81 -0.85 -0.97 114.58 123.97 3m9s h GLU 11 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3m9s h GLU 11 Cb 0.59 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3m9s h GLU 11 CO 0.04 0.43 -0.06 0.00 -0.73 0.00 0.00 179.01 178.69 3m9s h ALA 12 N 1.56 0.98 -0.32 2.92 0.00 -0.25 -2.99 119.26 121.15 3m9s h ALA 12 Ca 0.47 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 3m9s h ALA 12 Cb 0.65 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3m9s h ALA 12 CO -0.35 0.08 -0.40 2.35 0.00 0.00 0.00 179.25 180.92 3m9s h TRP 13 N 0.00 1.03 -0.23 0.00 -0.00 0.20 -2.31 115.95 114.64 3m9s h TRP 13 Ca -0.00 -0.33 0.04 0.00 -0.00 0.00 0.00 58.89 58.60 3m9s h TRP 13 Cb 0.80 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 29.71 3m9s h TRP 13 CO 0.00 1.13 -0.03 0.28 -0.00 0.00 0.00 178.44 179.82 3m9s h VAL 14 N 0.63 0.80 -0.25 2.65 2.07 -1.24 -1.93 116.25 118.98 3m9s h VAL 14 Ca 0.04 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3m9s h VAL 14 Cb 1.00 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3m9s h VAL 14 CO 0.10 0.01 -0.04 -0.08 0.02 0.00 0.00 177.57 177.58 3m9s h GLU 15 N 0.03 0.46 -0.82 1.57 4.57 -1.50 0.04 114.58 118.94 3m9s h GLU 15 Ca 0.11 -0.17 0.13 0.00 -1.18 0.00 0.00 59.36 58.25 3m9s h GLU 15 Cb 0.15 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.62 3m9s h GLU 15 CO -0.21 0.67 0.42 1.25 -1.18 0.00 0.00 179.01 179.95 3m9s h LEU 16 N 0.22 0.51 -1.21 1.64 7.12 -1.38 0.31 115.31 122.52 3m9s h LEU 16 Ca 0.07 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 3m9s h LEU 16 Cb 0.48 -0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.57 3m9s h LEU 16 CO 0.02 0.24 0.45 -0.07 -0.13 0.00 0.00 178.44 178.95 3m9s h LEU 17 N 0.63 0.87 -0.86 2.25 3.38 -0.79 -1.37 115.31 119.43 3m9s h LEU 17 Ca 0.43 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 3m9s h LEU 17 Cb 0.57 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3m9s h LEU 17 CO -0.34 0.66 0.50 -1.28 0.09 0.00 0.00 178.44 178.08 3m9s h SER 18 N 1.01 1.04 0.10 -0.43 0.87 0.15 -1.47 113.55 114.82 3m9s h SER 18 Ca 0.27 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 3m9s h SER 18 Cb -0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 3m9s h SER 18 CO -0.05 0.81 -0.49 -0.50 -0.53 0.00 0.00 176.83 176.07 3m9s h TRP 19 N 1.18 0.55 -0.33 2.24 6.55 -0.52 -2.30 115.95 123.32 3m9s h TRP 19 Ca 0.30 -0.18 -0.00 0.00 0.95 0.00 0.00 58.89 59.97 3m9s h TRP 19 Cb -0.02 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.15 3m9s h TRP 19 CO 0.00 0.85 0.20 0.52 -1.05 0.00 0.00 178.44 178.96 3m9s h MET 20 N 0.36 0.44 0.00 0.49 2.86 -0.73 -0.10 114.93 118.25 3m9s h MET 20 Ca 0.02 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3m9s h MET 20 Cb 0.99 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3m9s h MET 20 CO 0.09 0.33 -0.43 0.00 1.06 0.00 0.00 176.91 177.96 3m9s h ARG 21 N 0.43 0.00 0.36 1.72 3.08 -1.17 -0.88 114.38 117.92 3m9s h ARG 21 Ca 0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3m9s h ARG 21 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3m9s h ARG 21 CO -0.02 0.43 -0.17 1.49 -1.07 0.00 0.00 179.97 180.62 3m9s h GLU 22 N 0.00 -0.47 -1.01 0.04 4.81 -1.19 -2.37 114.58 114.39 3m9s h GLU 22 Ca -0.00 0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.50 3m9s h GLU 22 Cb 0.81 0.11 -0.11 0.00 0.63 0.00 0.00 28.75 30.19 3m9s h GLU 22 CO 0.06 -0.31 0.61 -0.92 -0.73 0.00 0.00 179.01 177.72 3m9s h TYR 23 N -1.06 0.95 0.65 0.92 5.03 -1.02 0.23 116.97 122.66 3m9s h TYR 23 Ca -0.05 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 3m9s h TYR 23 Cb 0.37 -0.28 0.01 0.00 1.55 0.00 0.00 36.73 38.38 3m9s h TYR 23 CO 0.01 0.10 -0.31 0.00 -1.32 0.00 0.00 178.16 176.64 3m9s h ALA 24 N 1.69 -0.87 -0.26 1.82 0.00 -1.18 0.86 119.26 121.32 3m9s h ALA 24 Ca 0.62 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 3m9s h ALA 24 Cb 1.21 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3m9s h ALA 24 CO -0.42 -0.98 0.05 0.37 0.00 0.00 0.00 179.25 178.28 3m9s h GLN 25 N -0.89 0.42 -0.01 0.00 -0.00 -1.05 -0.20 115.11 113.38 3m9s h GLN 25 Ca -0.09 -0.11 0.01 0.00 -0.00 0.00 0.00 58.65 58.46 3m9s h GLN 25 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.09 3m9s h GLN 25 CO 0.15 0.53 -0.14 0.00 0.00 0.00 0.00 178.83 179.36 3m9s h ALA 26 N 0.87 -0.59 -0.12 3.38 0.00 -0.47 -1.64 119.26 120.70 3m9s h ALA 26 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m9s h ALA 26 Cb 0.30 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3m9s h ALA 26 CO 0.00 -0.64 0.00 1.63 0.00 0.00 0.00 179.25 180.24 3m9s n LYS 27 N -3.30 1.47 -3.67 0.00 4.76 0.29 -4.91 118.16 112.80 3m9s n LYS 27 Ca -0.02 -0.51 -0.29 0.00 -2.87 0.00 0.00 58.31 54.62 3m9s n LYS 27 Cb 0.10 -1.33 0.03 0.00 -1.84 0.00 0.00 35.03 32.00 3m9s n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m9s n GLY 28 N 0.46 -1.06 3.01 0.72 0.00 -0.62 -5.00 105.19 102.70 3m9s n GLY 28 Ca 0.05 0.47 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 3m9s n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m9s s VAL 29 N -3.35 0.56 0.09 1.61 0.11 -0.18 -5.04 120.40 114.19 3m9s s VAL 29 Ca 0.36 -0.47 -0.33 0.00 -2.93 0.00 0.00 61.98 58.61 3m9s s VAL 29 Cb -0.14 -0.50 -0.12 0.00 -1.53 0.00 0.00 36.38 34.09 3m9s s VAL 29 CO 0.86 0.04 1.73 0.54 -3.33 0.00 0.00 175.10 174.95 3m9s n ARG 30 N 2.59 2.35 -3.71 1.54 5.12 -1.08 -4.49 116.66 118.98 3m9s n ARG 30 Ca -0.15 0.85 -0.36 0.00 -1.93 0.00 0.00 57.85 56.27 3m9s n ARG 30 Cb 0.57 -2.68 -0.09 0.00 -1.16 0.00 0.00 32.46 29.11 3m9s n ARG 30 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3m9s s PHE 31 N 2.24 3.37 -0.13 -1.55 2.19 -1.26 -1.06 117.98 121.78 3m9s s PHE 31 Ca 0.83 0.28 -0.00 0.00 0.33 0.00 0.00 56.93 58.37 3m9s s PHE 31 Cb -0.63 -2.20 0.03 0.00 -1.31 0.00 0.00 43.02 38.92 3m9s s PHE 31 CO 0.41 0.20 -0.07 -2.00 1.83 0.00 0.00 175.22 175.60 3m9s s GLU 32 N 0.62 1.51 -0.19 10.12 2.12 -0.55 -4.97 118.70 127.36 3m9s s GLU 32 Ca 0.08 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.76 3m9s s GLU 32 Cb -0.12 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.47 3m9s s GLU 32 CO 0.00 -0.33 1.91 0.21 -0.54 0.00 0.00 175.26 176.52 3m9s s LYS 33 N 1.68 3.56 -0.07 4.30 2.20 -1.26 -1.82 119.74 128.32 3m9s s LYS 33 Ca 0.03 1.92 -0.05 0.00 -0.36 0.00 0.00 55.97 57.52 3m9s s LYS 33 Cb -0.14 -4.20 -0.27 0.00 -1.51 0.00 0.00 37.83 31.71 3m9s s LYS 33 CO -0.08 -1.60 0.57 1.49 -0.36 0.00 0.00 175.35 175.37 3m9s h GLU 34 N 12.52 0.27 -1.65 4.03 4.57 -0.54 -3.49 114.58 130.29 3m9s h GLU 34 Ca -0.39 -0.46 0.05 0.00 -1.18 0.00 0.00 59.36 57.38 3m9s h GLU 34 Cb 1.20 0.17 -0.24 0.00 -0.16 0.00 0.00 28.75 29.72 3m9s h GLU 34 CO 0.98 1.14 0.44 0.00 -1.18 0.00 0.00 179.01 180.40 3m9s s ALA 35 N -2.58 -1.93 0.40 2.92 0.00 -0.50 -4.94 121.76 115.15 3m9s s ALA 35 Ca -0.16 1.73 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 3m9s s ALA 35 Cb 0.06 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 3m9s s ALA 35 CO 0.81 -0.28 0.66 -0.51 0.00 0.00 0.00 175.76 176.44 3m9s s ASP 36 N -0.39 6.29 -0.04 0.00 1.11 -1.26 -0.12 116.67 122.27 3m9s s ASP 36 Ca -0.00 0.69 -0.30 0.00 0.18 0.00 0.00 52.55 53.12 3m9s s ASP 36 Cb -0.03 -2.14 -0.06 0.00 1.07 0.00 0.00 42.92 41.77 3m9s s ASP 36 CO -0.01 -0.42 1.64 -0.36 1.18 0.00 0.00 175.17 177.20 3m9s s PHE 37 N -2.50 2.06 0.38 4.23 0.40 -1.02 -4.69 117.98 116.85 3m9s s PHE 37 Ca 0.44 0.23 0.37 0.00 -0.60 0.00 0.00 56.93 57.37 3m9s s PHE 37 Cb -0.10 -3.91 1.82 0.00 0.51 0.00 0.00 43.02 41.34 3m9s s PHE 37 CO 0.40 -3.80 2.16 -1.35 0.70 0.00 0.00 175.22 173.33 3m9s h PRO 38 N 9.34 0.00 -0.32 0.24 0.11 -1.96 0.50 132.00 139.91 3m9s h PRO 38 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3m9s h PRO 38 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m9s h PRO 38 CO 0.95 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3m9s n ASP 39 N -3.17 0.32 0.02 -2.05 5.75 -1.26 -0.69 116.55 115.46 3m9s n ASP 39 Ca -0.01 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 3m9s n ASP 39 Cb 0.20 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3m9s n ASP 39 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3m9s n PHE 40 N -0.22 -0.05 -0.23 2.11 -0.00 0.14 -4.24 117.46 114.97 3m9s n PHE 40 Ca 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 57.45 57.48 3m9s n PHE 40 Cb 0.08 0.03 0.14 0.00 -0.00 0.00 0.00 39.48 39.73 3m9s n PHE 40 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3m9s h ILE 41 N 0.00 0.71 -0.10 -2.13 2.04 -1.39 -2.83 117.51 113.81 3m9s h ILE 41 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3m9s h ILE 41 Cb 0.68 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3m9s h ILE 41 CO 0.00 0.07 0.00 -1.22 0.00 0.00 0.00 178.15 177.00 3m9s n TYR 42 N -5.01 0.11 -2.16 1.37 4.01 0.14 -4.87 117.16 110.75 3m9s n TYR 42 Ca 0.11 -0.07 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 3m9s n TYR 42 Cb 0.34 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.34 3m9s n TYR 42 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3m9s s ARG 43 N -1.55 4.33 0.00 -0.72 3.00 -1.07 -4.98 118.95 117.96 3m9s s ARG 43 Ca 0.25 2.11 0.00 0.00 -1.00 0.00 0.00 55.73 57.09 3m9s s ARG 43 Cb 0.17 -3.21 0.00 0.00 0.00 0.00 0.00 34.95 31.91 3m9s s ARG 43 CO 0.25 -0.38 0.00 -1.33 0.00 0.00 0.00 175.30 173.84 3m9s n MET 44 N 3.30 0.00 0.09 5.12 2.81 -1.26 -4.76 117.12 122.42 3m9s n MET 44 Ca 0.09 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.08 3m9s n MET 44 Cb 0.42 0.00 0.43 0.00 -0.71 0.00 0.00 33.22 33.36 3m9s n MET 44 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3m9s n GLU 45 N 0.00 0.13 -1.87 0.03 0.00 -1.26 -4.84 120.64 112.82 3m9s n GLU 45 Ca 0.00 0.40 -0.37 0.00 0.00 0.00 0.00 57.16 57.19 3m9s n GLU 45 Cb 0.00 -1.76 0.05 0.00 0.00 0.00 0.00 31.44 29.73 3m9s n GLU 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3m9s s ARG 46 N -3.24 2.79 0.52 3.44 0.52 -1.26 -4.99 118.95 116.73 3m9s s ARG 46 Ca 0.04 1.97 -0.19 0.00 -0.52 0.00 0.00 55.73 57.03 3m9s s ARG 46 Cb 0.09 -1.92 -0.07 0.00 0.52 0.00 0.00 34.95 33.57 3m9s s ARG 46 CO 0.32 -1.39 1.06 -1.25 0.02 0.00 0.00 175.30 174.06 3m9s s PRO 47 N -3.32 3.62 -0.21 3.54 0.04 -1.26 -4.98 135.00 132.43 3m9s s PRO 47 Ca 0.79 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 63.17 3m9s s PRO 47 Cb -0.35 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 32.24 3m9s s PRO 47 CO 0.37 -0.59 0.32 -0.47 0.04 0.00 0.00 177.00 176.67 3m9s s TYR 48 N -2.04 -0.60 -0.46 0.56 6.14 -1.26 -5.03 117.35 114.66 3m9s s TYR 48 Ca 0.68 0.73 0.05 0.00 0.64 0.00 0.00 57.07 59.17 3m9s s TYR 48 Cb -0.18 -0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.13 3m9s s TYR 48 CO 0.25 -0.61 0.46 -0.40 0.64 0.00 0.00 175.55 175.88 3m9s n ASP 49 N 5.35 0.91 -4.48 4.32 5.75 -1.26 -5.04 116.55 122.10 3m9s n ASP 49 Ca -0.05 -0.95 -0.36 0.00 -0.01 0.00 0.00 54.79 53.42 3m9s n ASP 49 Cb 0.50 0.43 0.08 0.00 -1.03 0.00 0.00 41.12 41.10 3m9s n ASP 49 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3m9s n LEU 50 N -0.32 1.04 0.07 -2.12 7.94 -1.26 -4.96 117.00 117.40 3m9s n LEU 50 Ca 0.02 0.56 -0.20 0.00 -1.11 0.00 0.00 56.01 55.28 3m9s n LEU 50 Cb 0.10 -1.24 -0.11 0.00 0.53 0.00 0.00 43.42 42.70 3m9s n LEU 50 CO 0.06 -3.04 0.01 -0.65 -1.11 0.00 0.00 177.39 172.66 3m9s h PRO 51 N -0.52 0.62 -5.26 1.96 0.11 -1.96 -3.47 132.00 123.48 3m9s h PRO 51 Ca -0.45 -0.75 -0.63 0.00 0.11 0.00 0.00 66.00 64.28 3m9s h PRO 51 Cb 1.34 0.23 -0.13 0.00 0.11 0.00 0.00 31.00 32.55 3m9s h PRO 51 CO 0.42 1.33 -0.54 0.95 -0.21 0.00 0.00 178.00 179.95 3m9s s THR 52 N -3.12 1.21 -0.06 -1.15 -4.23 -1.26 -5.05 115.64 101.97 3m9s s THR 52 Ca -0.09 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.51 3m9s s THR 52 Cb 0.06 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.63 3m9s s THR 52 CO 0.92 0.00 1.07 0.35 -0.54 0.00 0.00 174.62 176.42 3m9s n THR 53 N -1.09 1.42 -3.99 3.99 -2.24 -1.26 -4.99 114.28 106.13 3m9s n THR 53 Ca -0.12 -1.60 -0.35 0.00 -2.27 0.00 0.00 64.05 59.71 3m9s n THR 53 Cb 0.67 0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.91 3m9s n THR 53 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3m9s s ILE 54 N -1.88 3.43 -0.13 2.28 2.07 -1.26 -2.42 121.20 123.28 3m9s s ILE 54 Ca 0.15 -0.48 0.09 0.00 -1.41 0.00 0.00 60.65 59.01 3m9s s ILE 54 Cb 0.13 -2.55 -0.15 0.00 0.13 0.00 0.00 42.46 40.03 3m9s s ILE 54 CO 0.01 0.43 0.01 0.80 -1.91 0.00 0.00 174.94 174.29 3m9s n MET 55 N 4.64 1.70 -3.95 3.50 0.00 0.83 -4.86 117.12 118.99 3m9s n MET 55 Ca -0.18 0.01 -0.29 0.00 -0.00 0.00 0.00 57.70 57.24 3m9s n MET 55 Cb 0.51 -1.32 -0.16 0.00 0.00 0.00 0.00 33.22 32.25 3m9s n MET 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3m9s s THR 56 N -2.30 1.36 0.36 1.12 2.01 -0.48 -2.83 115.64 114.86 3m9s s THR 56 Ca -0.09 -0.72 0.08 0.00 0.31 0.00 0.00 61.69 61.28 3m9s s THR 56 Cb 0.04 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 3m9s s THR 56 CO 0.49 0.23 0.10 0.00 -0.69 0.00 0.00 174.62 174.75 3m9s s ALA 57 N 1.54 3.41 0.14 7.40 0.00 0.14 0.23 121.76 134.62 3m9s s ALA 57 Ca 0.01 -1.94 -0.20 0.00 0.00 0.00 0.00 51.96 49.84 3m9s s ALA 57 Cb -0.15 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.50 3m9s s ALA 57 CO -0.08 -0.00 0.50 -1.54 0.00 0.00 0.00 175.76 174.64 3m9s s SER 58 N -3.81 -0.40 -0.35 0.00 1.04 -0.76 -0.69 113.70 108.73 3m9s s SER 58 Ca 0.37 -0.15 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 3m9s s SER 58 Cb -0.00 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.74 3m9s s SER 58 CO 0.21 -0.91 0.09 -0.76 0.98 0.00 0.00 173.24 172.86 3m9s s LEU 59 N -2.76 4.68 0.33 2.42 1.43 -0.78 -1.48 118.68 122.52 3m9s s LEU 59 Ca 0.02 -1.87 0.07 0.00 -1.03 0.00 0.00 54.13 51.32 3m9s s LEU 59 Cb 0.00 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 3m9s s LEU 59 CO -0.12 -0.41 0.43 -0.44 0.23 0.00 0.00 176.35 176.05 3m9s s SER 60 N 1.36 5.85 0.00 2.29 0.01 -0.22 -1.71 113.70 121.28 3m9s s SER 60 Ca 0.05 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3m9s s SER 60 Cb -0.21 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 64.83 3m9s s SER 60 CO -0.05 -0.41 0.00 -0.90 0.41 0.00 0.00 173.24 172.29 3m9s n ASP 61 N -1.59 0.00 -0.13 2.44 5.68 -0.97 -2.62 116.55 119.36 3m9s n ASP 61 Ca -0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.16 3m9s n ASP 61 Cb 0.58 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.54 3m9s n ASP 61 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3m9s h GLY 62 N 0.00 0.98 2.00 6.12 0.00 -1.89 -2.88 103.07 107.40 3m9s h GLY 62 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.38 3m9s h GLY 62 CO 0.00 0.86 0.00 1.41 0.00 0.00 0.00 176.54 178.81 3m9s h LEU 63 N 0.72 0.00 0.00 3.11 4.07 -1.94 -3.47 115.31 117.80 3m9s h LEU 63 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3m9s h LEU 63 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3m9s h LEU 63 CO 0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.05 3m9s n GLY 64 N 0.02 1.11 3.70 0.83 0.00 -1.09 -5.04 105.19 104.71 3m9s n GLY 64 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3m9s n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m9s s GLU 65 N -0.58 4.31 0.46 1.61 0.41 -1.26 -4.58 118.70 119.07 3m9s s GLU 65 Ca 0.00 1.93 -0.20 0.00 -0.41 0.00 0.00 54.97 56.30 3m9s s GLU 65 Cb 0.00 -3.49 -0.10 0.00 -1.78 0.00 0.00 34.13 28.76 3m9s s GLU 65 CO 0.00 -0.50 0.97 -2.14 -0.49 0.00 0.00 175.26 173.10 3m9s s PRO 66 N 2.01 4.08 0.00 0.39 0.02 -1.26 -2.30 135.00 137.94 3m9s s PRO 66 Ca 0.63 1.10 0.04 0.00 0.02 0.00 0.00 61.00 62.79 3m9s s PRO 66 Cb -0.31 -2.16 -0.00 0.00 0.02 0.00 0.00 34.50 32.05 3m9s s PRO 66 CO 0.27 -0.16 0.39 1.97 -0.33 0.00 0.00 177.00 179.15 3m9s n PHE 67 N -0.97 0.00 -3.73 6.54 1.16 -0.70 -4.69 117.46 115.07 3m9s n PHE 67 Ca 0.07 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.53 3m9s n PHE 67 Cb 0.54 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.28 3m9s n PHE 67 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3m9s s LEU 68 N -1.30 0.43 -0.03 5.98 1.98 -1.19 -4.36 118.68 120.18 3m9s s LEU 68 Ca 0.03 0.57 0.05 0.00 -2.89 0.00 0.00 54.13 51.88 3m9s s LEU 68 Cb 0.03 0.83 -0.01 0.00 0.66 0.00 0.00 46.19 47.70 3m9s s LEU 68 CO 0.11 -0.16 -0.17 -0.76 -1.89 0.00 0.00 176.35 173.48 3m9s s LEU 69 N 1.14 1.94 0.03 -0.68 1.43 -0.56 -1.87 118.68 120.10 3m9s s LEU 69 Ca -0.08 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.72 3m9s s LEU 69 Cb -0.09 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 3m9s s LEU 69 CO -0.08 0.17 -0.11 0.00 0.23 0.00 0.00 176.35 176.56 3m9s s ALA 70 N -0.08 0.88 -0.04 4.21 0.00 0.13 -1.90 121.76 124.96 3m9s s ALA 70 Ca -0.01 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.00 3m9s s ALA 70 Cb -0.10 -0.13 0.08 0.00 0.00 0.00 0.00 23.12 22.97 3m9s s ALA 70 CO 0.01 0.15 0.71 0.16 0.00 0.00 0.00 175.76 176.80 3m9s s ASP 71 N -0.92 -0.61 0.17 0.00 -4.77 -0.99 -0.68 116.67 108.88 3m9s s ASP 71 Ca -0.00 0.58 0.09 0.00 -3.30 0.00 0.00 52.55 49.92 3m9s s ASP 71 Cb -0.07 0.52 -0.04 0.00 -1.09 0.00 0.00 42.92 42.24 3m9s s ASP 71 CO 0.01 -0.62 -0.19 0.54 0.70 0.00 0.00 175.17 175.60 3m9s s VAL 72 N -1.53 1.94 0.26 2.11 0.11 -1.13 0.08 120.40 122.24 3m9s s VAL 72 Ca -0.08 -1.95 -0.24 0.00 -2.93 0.00 0.00 61.98 56.78 3m9s s VAL 72 Cb -0.00 -1.90 -0.09 0.00 -1.53 0.00 0.00 36.38 32.85 3m9s s VAL 72 CO 0.06 -0.27 0.84 -0.94 -3.33 0.00 0.00 175.10 171.46 3m9s s SER 73 N -2.67 7.26 1.10 3.54 1.04 -1.09 -4.89 113.70 117.98 3m9s s SER 73 Ca 0.17 1.67 -0.17 0.00 0.48 0.00 0.00 55.95 58.10 3m9s s SER 73 Cb -0.06 -2.51 0.17 0.00 0.10 0.00 0.00 66.02 63.71 3m9s s SER 73 CO 0.07 0.01 0.24 -0.81 0.98 0.00 0.00 173.24 173.74 3m9s n PRO 74 N 0.79 -2.28 0.22 4.02 -0.04 -1.26 -4.90 135.00 131.54 3m9s n PRO 74 Ca -0.01 -0.67 0.11 0.00 -0.04 0.00 0.00 63.50 62.90 3m9s n PRO 74 Cb 0.50 -1.60 0.23 0.00 -0.04 0.00 0.00 33.50 32.60 3m9s n PRO 74 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3m9s h ARG 75 N -2.54 0.00 -0.08 0.54 2.43 -1.97 -3.27 114.38 109.48 3m9s h ARG 75 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 3m9s h ARG 75 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3m9s h ARG 75 CO 0.25 0.08 0.00 0.72 -1.51 0.00 0.00 179.97 179.51 3m9s n HIS 76 N -3.13 0.08 -3.66 2.20 8.25 -1.26 -4.98 115.22 112.72 3m9s n HIS 76 Ca 0.03 -0.04 -0.26 0.00 -0.26 0.00 0.00 57.72 57.19 3m9s n HIS 76 Cb 0.52 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 3m9s n HIS 76 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m9s s ALA 77 N -1.72 3.81 0.41 -1.41 0.00 -1.24 -5.10 121.76 116.51 3m9s s ALA 77 Ca 0.27 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 3m9s s ALA 77 Cb 0.18 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3m9s s ALA 77 CO 0.27 0.30 0.64 0.21 0.00 0.00 0.00 175.76 177.18 3m9s s LYS 78 N -3.65 3.44 -1.27 0.00 2.47 -1.26 -4.45 119.74 115.02 3m9s s LYS 78 Ca 0.38 -0.18 -0.01 0.00 -1.56 0.00 0.00 55.97 54.60 3m9s s LYS 78 Cb -0.10 -2.55 0.00 0.00 -1.46 0.00 0.00 37.83 33.71 3m9s s LYS 78 CO 0.31 -0.03 0.85 1.28 0.16 0.00 0.00 175.35 177.91 3m9s n LEU 79 N -1.98 -3.51 -4.68 5.43 4.32 -1.26 -4.85 117.00 110.47 3m9s n LEU 79 Ca -0.02 -0.73 -0.46 0.00 -0.02 0.00 0.00 56.01 54.78 3m9s n LEU 79 Cb 0.56 -2.87 -0.04 0.00 -1.62 0.00 0.00 43.42 39.45 3m9s n LEU 79 CO 0.50 0.40 1.37 0.29 -1.22 0.00 0.00 177.39 178.73 3m9s n LYS 80 N -4.23 2.28 -4.16 3.23 5.02 -1.26 -4.98 118.16 114.05 3m9s n LYS 80 Ca -0.28 0.83 -0.12 0.00 -2.02 0.00 0.00 58.31 56.72 3m9s n LYS 80 Cb 0.67 -2.66 -0.10 0.00 -0.02 0.00 0.00 35.03 32.92 3m9s n LYS 80 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3m9s s ARG 81 N 2.58 0.82 -0.11 1.97 3.03 -1.26 -4.94 118.95 121.04 3m9s s ARG 81 Ca 0.85 -1.26 -0.03 0.00 2.03 0.00 0.00 55.73 57.33 3m9s s ARG 81 Cb -0.65 -0.28 -0.03 0.00 -1.03 0.00 0.00 34.95 32.96 3m9s s ARG 81 CO 0.43 0.01 -0.01 -1.50 -1.13 0.00 0.00 175.30 173.11 3m9s s ILE 82 N -3.21 4.23 0.09 4.99 2.07 -0.72 -2.67 121.20 125.98 3m9s s ILE 82 Ca 0.09 -0.27 0.09 0.00 -1.41 0.00 0.00 60.65 59.16 3m9s s ILE 82 Cb 0.02 -2.80 -0.03 0.00 0.13 0.00 0.00 42.46 39.78 3m9s s ILE 82 CO -0.03 0.57 -0.24 -0.83 -1.91 0.00 0.00 174.94 172.50 3m9s s GLY 83 N -0.52 1.36 -0.08 1.50 0.00 0.11 -0.69 107.32 109.00 3m9s s GLY 83 Ca 0.09 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.53 3m9s s GLY 83 CO 0.02 -1.26 -0.11 1.08 0.00 0.00 0.00 173.10 172.83 3m9s s LEU 84 N -1.74 1.51 -0.04 0.66 1.43 -1.08 -2.33 118.68 117.08 3m9s s LEU 84 Ca 0.10 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3m9s s LEU 84 Cb -0.10 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.28 3m9s s LEU 84 CO 0.04 -0.02 -0.08 -0.60 0.23 0.00 0.00 176.35 175.93 3m9s s ARG 85 N 1.03 1.03 -0.62 1.70 3.00 -0.80 0.12 118.95 124.41 3m9s s ARG 85 Ca -0.07 -0.25 -0.19 0.00 -1.00 0.00 0.00 55.73 54.22 3m9s s ARG 85 Cb -0.15 -0.95 0.11 0.00 0.00 0.00 0.00 34.95 33.96 3m9s s ARG 85 CO -0.01 0.02 0.74 -0.51 0.00 0.00 0.00 175.30 175.54 3m9s s LEU 86 N 0.54 5.40 0.14 -0.88 1.43 -0.52 -1.50 118.68 123.29 3m9s s LEU 86 Ca -0.09 -1.51 -0.31 0.00 -1.03 0.00 0.00 54.13 51.19 3m9s s LEU 86 Cb -0.12 -2.31 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 3m9s s LEU 86 CO 0.01 -1.10 1.53 -2.16 0.23 0.00 0.00 176.35 174.85 3m9s s PRO 87 N 2.62 4.24 0.00 1.29 0.04 -1.26 -2.20 135.00 139.73 3m9s s PRO 87 Ca 0.13 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3m9s s PRO 87 Cb -0.22 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3m9s s PRO 87 CO 0.05 -0.57 0.00 0.54 0.04 0.00 0.00 177.00 177.06 3m9s n ARG 88 N 4.11 0.00 -0.06 4.56 1.74 -1.26 -4.85 116.66 120.90 3m9s n ARG 88 Ca 0.13 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.24 3m9s n ARG 88 Cb 0.40 -0.52 0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3m9s n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m9s n ALA 89 N -1.20 2.16 -3.67 7.54 0.00 -0.94 -5.03 120.51 119.38 3m9s n ALA 89 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.18 3m9s n ALA 89 Cb 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 19.45 19.27 3m9s n ALA 89 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3m9s n HIS 90 N 0.02 -2.21 -3.52 0.00 1.44 -1.23 -5.02 115.22 104.70 3m9s n HIS 90 Ca 0.05 0.92 -0.14 0.00 -2.01 0.00 0.00 57.72 56.53 3m9s n HIS 90 Cb 0.29 -2.33 -0.12 0.00 0.12 0.00 0.00 29.99 27.95 3m9s n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3m9s s ILE 91 N -2.42 -0.44 0.03 0.61 1.01 -1.25 -5.04 121.20 113.70 3m9s s ILE 91 Ca 0.14 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.90 3m9s s ILE 91 Cb -0.01 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.79 3m9s s ILE 91 CO 0.87 -0.06 -0.21 -1.00 0.00 0.00 0.00 174.94 174.54 3m9s s HIS 92 N 2.43 2.49 0.15 3.97 3.76 -1.26 -1.44 115.29 125.39 3m9s s HIS 92 Ca 0.06 -0.30 0.08 0.00 -0.15 0.00 0.00 55.06 54.75 3m9s s HIS 92 Cb -0.14 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 3m9s s HIS 92 CO -0.12 0.19 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.27 3m9s s LEU 93 N -1.25 2.42 -0.28 0.89 1.02 0.12 -4.99 118.68 116.59 3m9s s LEU 93 Ca 0.13 -0.83 -0.04 0.00 0.02 0.00 0.00 54.13 53.41 3m9s s LEU 93 Cb -0.10 -0.81 0.10 0.00 0.02 0.00 0.00 46.19 45.40 3m9s s LEU 93 CO 0.03 -0.03 0.13 -1.00 0.02 0.00 0.00 176.35 175.51 3m9s s HIS 94 N -1.94 0.29 -0.21 0.29 3.76 -1.26 -2.64 115.29 113.57 3m9s s HIS 94 Ca 0.14 -0.83 -0.18 0.00 -0.15 0.00 0.00 55.06 54.04 3m9s s HIS 94 Cb -0.06 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.72 3m9s s HIS 94 CO 0.06 -0.82 0.49 0.00 -0.85 0.00 0.00 174.74 173.62 3m9s s ALA 95 N 2.11 3.56 0.00 -1.40 0.00 0.13 -4.34 121.76 121.82 3m9s s ALA 95 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3m9s s ALA 95 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3m9s s ALA 95 CO -0.36 -0.47 0.00 0.72 0.00 0.00 0.00 175.76 175.65 3m9s n HIS 96 N 4.88 -1.21 -3.61 0.00 8.25 0.15 -1.76 115.22 121.92 3m9s n HIS 96 Ca -0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 3m9s n HIS 96 Cb 0.50 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.45 3m9s n HIS 96 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3m9s s TYR 97 N 1.53 0.07 0.09 4.41 5.04 -1.26 -3.09 117.35 124.14 3m9s s TYR 97 Ca 0.00 -0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.55 3m9s s TYR 97 Cb 0.00 -0.57 -0.05 0.00 0.35 0.00 0.00 41.96 41.69 3m9s s TYR 97 CO 0.00 -0.43 0.29 -1.21 -1.34 0.00 0.00 175.55 172.86 3m9s s GLU 98 N 2.18 3.54 -0.05 4.97 0.41 -0.58 -4.97 118.70 124.20 3m9s s GLU 98 Ca 0.03 -0.22 -0.30 0.00 -0.41 0.00 0.00 54.97 54.08 3m9s s GLU 98 Cb -0.15 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.20 3m9s s GLU 98 CO -0.08 0.55 1.29 -1.25 -0.49 0.00 0.00 175.26 175.29 3m9s s PRO 99 N -2.44 4.31 0.00 0.39 0.04 -1.26 -1.59 135.00 134.44 3m9s s PRO 99 Ca 0.36 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3m9s s PRO 99 Cb -0.13 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.81 3m9s s PRO 99 CO 0.24 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.16 3m9s n GLY 100 N 3.52 1.81 0.26 0.56 0.00 -1.26 -4.70 105.19 105.38 3m9s n GLY 100 Ca 0.12 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3m9s n GLY 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m9s h LYS 101 N 0.00 -0.62 0.00 1.61 1.79 -2.00 -3.50 116.57 113.85 3m9s h LYS 101 Ca 0.00 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3m9s h LYS 101 Cb 0.00 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3m9s h LYS 101 CO 0.00 -0.41 0.00 0.41 -1.08 0.00 0.00 179.45 178.37 3m9s n GLY 102 N -0.37 0.44 3.67 3.86 0.00 -0.62 -5.00 105.19 107.17 3m9s n GLY 102 Ca -0.08 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 3m9s n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m9s s LEU 103 N 0.00 4.31 0.04 0.99 2.96 -1.26 -1.53 118.68 124.19 3m9s s LEU 103 Ca 0.00 2.20 0.05 0.00 -0.22 0.00 0.00 54.13 56.16 3m9s s LEU 103 Cb 0.00 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3m9s s LEU 103 CO 0.00 -0.87 -0.15 0.68 -1.32 0.00 0.00 176.35 174.69 3m9s s VAL 104 N 3.53 1.22 -1.11 1.68 -7.23 -1.18 -0.63 120.40 116.68 3m9s s VAL 104 Ca 0.70 -1.05 -0.06 0.00 -1.81 0.00 0.00 61.98 59.75 3m9s s VAL 104 Cb -0.33 -1.10 0.29 0.00 0.56 0.00 0.00 36.38 35.80 3m9s s VAL 104 CO 0.28 0.03 1.40 0.35 -0.31 0.00 0.00 175.10 176.85 3m9s n THR 105 N 1.86 5.01 0.00 5.32 -2.24 -0.49 -0.67 114.28 123.07 3m9s n THR 105 Ca -0.18 -5.63 0.00 0.00 -2.27 0.00 0.00 64.05 55.97 3m9s n THR 105 Cb 0.54 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.51 3m9s n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m9s n GLY 106 N 1.92 2.17 0.00 3.38 0.00 -1.26 -3.63 105.19 107.77 3m9s n GLY 106 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3m9s n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m9s n LYS 107 N 0.00 0.59 -3.37 1.61 5.02 -1.26 -4.98 118.16 115.76 3m9s n LYS 107 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 3m9s n LYS 107 Cb 0.00 -0.95 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 3m9s n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3m9s s ILE 108 N -1.88 5.17 0.24 -0.18 1.09 -1.24 -5.05 121.20 119.34 3m9s s ILE 108 Ca 0.00 0.60 -0.31 0.00 -1.10 0.00 0.00 60.65 59.84 3m9s s ILE 108 Cb 0.00 -3.71 -0.13 0.00 -1.06 0.00 0.00 42.46 37.56 3m9s s ILE 108 CO 0.00 0.15 1.49 -2.65 -0.10 0.00 0.00 174.94 173.83 3m9s n PRO 109 N 5.32 2.24 -3.14 2.79 -0.02 -1.26 -1.39 135.00 139.54 3m9s n PRO 109 Ca -0.08 0.80 -0.44 0.00 -2.02 0.00 0.00 63.50 61.75 3m9s n PRO 109 Cb 0.51 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3m9s n PRO 109 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3m9s n LEU 110 N 2.42 5.66 -4.88 2.45 7.94 0.20 -4.88 117.00 125.91 3m9s n LEU 110 Ca 0.12 -4.90 -0.30 0.00 -1.11 0.00 0.00 56.01 49.82 3m9s n LEU 110 Cb 0.32 -1.48 0.06 0.00 0.53 0.00 0.00 43.42 42.85 3m9s n LEU 110 CO 0.63 1.25 0.76 0.42 -1.11 0.00 0.00 177.39 179.34 3m9s s THR 111 N -0.73 3.05 0.15 1.96 -4.23 -1.26 -4.86 115.64 109.73 3m9s s THR 111 Ca 0.34 0.34 -0.24 0.00 -1.18 0.00 0.00 61.69 60.95 3m9s s THR 111 Cb -0.05 -3.32 0.03 0.00 1.34 0.00 0.00 72.50 70.50 3m9s s THR 111 CO -0.03 -0.44 1.60 0.50 -0.54 0.00 0.00 174.62 175.71 3m9s h LYS 112 N -0.80 -0.29 -0.53 3.99 3.64 -1.99 -0.73 116.57 119.87 3m9s h LYS 112 Ca -0.45 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.02 3m9s h LYS 112 Cb 1.28 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 33.06 3m9s h LYS 112 CO 0.64 -0.19 -0.46 0.93 -2.27 0.00 0.00 179.45 178.10 3m9s h GLU 113 N -0.30 -0.26 -0.48 1.90 3.07 -1.99 0.22 114.58 116.74 3m9s h GLU 113 Ca 0.14 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 3m9s h GLU 113 Cb 0.54 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3m9s h GLU 113 CO -0.47 -0.17 0.26 -0.09 -1.40 0.00 0.00 179.01 177.13 3m9s h ARG 114 N -0.27 0.66 -0.03 2.33 2.43 -1.82 -0.99 114.38 116.69 3m9s h ARG 114 Ca 0.15 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3m9s h ARG 114 Cb 0.57 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3m9s h ARG 114 CO -0.66 0.49 0.00 0.35 -1.51 0.00 0.00 179.97 178.64 3m9s h PHE 115 N 0.67 0.05 -0.97 2.20 3.57 0.16 -2.69 116.94 119.93 3m9s h PHE 115 Ca 0.17 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.77 3m9s h PHE 115 Cb 0.02 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.68 3m9s h PHE 115 CO 0.00 0.31 0.62 0.74 -2.23 0.00 0.00 178.31 177.75 3m9s h PHE 116 N -0.23 1.08 -0.19 0.41 -1.00 -0.03 -0.55 116.94 116.43 3m9s h PHE 116 Ca 0.01 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.85 3m9s h PHE 116 Cb 0.29 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 3m9s h PHE 116 CO 0.02 0.46 0.01 0.00 -1.61 0.00 0.00 178.31 177.20 3m9s h ALA 117 N 1.54 0.18 -0.23 2.45 0.00 -1.06 -0.69 119.26 121.44 3m9s h ALA 117 Ca 0.46 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 3m9s h ALA 117 Cb 0.44 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3m9s h ALA 117 CO -0.22 -0.42 0.07 1.25 0.00 0.00 0.00 179.25 179.93 3m9s h LEU 118 N 0.08 0.33 -1.09 0.00 5.85 -1.05 -1.32 115.31 118.12 3m9s h LEU 118 Ca 0.09 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3m9s h LEU 118 Cb 0.10 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3m9s h LEU 118 CO -0.14 0.44 0.54 0.00 -0.34 0.00 0.00 178.44 178.94 3m9s h ALA 119 N 0.90 1.32 0.43 1.25 0.00 -0.96 0.58 119.26 122.78 3m9s h ALA 119 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3m9s h ALA 119 Cb 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3m9s h ALA 119 CO -0.00 0.60 -0.21 -0.44 0.00 0.00 0.00 179.25 179.20 3m9s h ASP 120 N 1.18 -0.49 -0.49 0.00 3.32 -1.01 0.24 116.42 119.17 3m9s h ASP 120 Ca 0.31 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.36 3m9s h ASP 120 Cb -0.08 0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.50 3m9s h ASP 120 CO -0.06 -0.16 -0.29 0.03 -1.72 0.00 0.00 179.24 177.04 3m9s h ARG 121 N -0.85 -0.18 -0.25 3.56 2.47 -1.04 -0.21 114.38 117.88 3m9s h ARG 121 Ca -0.06 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.72 3m9s h ARG 121 Cb 0.56 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.87 3m9s h ARG 121 CO 0.10 -0.12 -0.05 0.00 0.56 0.00 0.00 179.97 180.46 3m9s h ALA 122 N 0.98 0.17 -0.16 0.04 0.00 -0.83 -2.04 119.26 117.43 3m9s h ALA 122 Ca 0.21 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3m9s h ALA 122 Cb 0.52 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3m9s h ALA 122 CO -0.59 -0.46 0.04 -0.09 0.00 0.00 0.00 179.25 178.15 3m9s h ARG 123 N 0.01 0.11 -0.33 0.00 2.43 0.11 0.28 114.38 116.98 3m9s h ARG 123 Ca 0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3m9s h ARG 123 Cb 0.18 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3m9s h ARG 123 CO -0.25 0.07 0.08 0.93 -1.51 0.00 0.00 179.97 179.29 3m9s h GLU 124 N 0.11 0.53 -0.02 0.20 5.08 -1.04 -2.95 114.58 116.50 3m9s h GLU 124 Ca 0.07 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3m9s h GLU 124 Cb 0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3m9s h GLU 124 CO -0.08 0.60 -0.04 0.00 -1.00 0.00 0.00 179.01 178.48 3m9s h ALA 125 N 0.91 0.03 0.08 3.43 0.00 -1.08 -3.41 119.26 119.22 3m9s h ALA 125 Ca 0.10 -0.32 -0.33 0.00 0.00 0.00 0.00 54.91 54.36 3m9s h ALA 125 Cb 0.31 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3m9s h ALA 125 CO 0.00 -0.14 -1.82 1.28 0.00 0.00 0.00 179.25 178.57 3m9s n LEU 126 N -4.74 2.41 -4.61 0.00 4.77 0.95 -4.95 117.00 110.82 3m9s n LEU 126 Ca -0.09 0.26 -0.46 0.00 -0.03 0.00 0.00 56.01 55.69 3m9s n LEU 126 Cb 0.33 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 3m9s n LEU 126 CO 0.35 0.68 1.67 0.00 -1.33 0.00 0.00 177.39 178.76 3m9s n ALA 127 N -3.17 1.29 -0.02 -1.18 0.00 -1.11 -4.89 120.51 111.42 3m9s n ALA 127 Ca -0.33 0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 3m9s n ALA 127 Cb 0.93 -2.66 0.18 0.00 0.00 0.00 0.00 19.45 17.91 3m9s n ALA 127 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3m9s h PHE 128 N 11.73 0.64 0.00 0.00 -1.00 -1.91 -3.49 116.94 122.91 3m9s h PHE 128 Ca -0.43 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.23 3m9s h PHE 128 Cb 1.27 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.66 3m9s h PHE 128 CO 0.92 0.73 0.00 0.00 -1.61 0.00 0.00 178.31 178.36