#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6d s ARG 2 N 0.00 3.47 -0.28 1.96 0.52 -1.26 -1.34 118.95 122.03 1o6d s ARG 2 Ca 0.00 -0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 1o6d s ARG 2 Cb 0.00 -3.11 0.08 0.00 0.52 0.00 0.00 34.95 32.44 1o6d s ARG 2 CO 0.00 0.69 0.01 0.08 0.02 0.00 0.00 175.30 176.10 1o6d s VAL 3 N -1.26 1.55 -0.13 3.52 1.01 -0.30 -0.99 120.40 123.79 1o6d s VAL 3 Ca 0.25 -1.52 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 1o6d s VAL 3 Cb -0.13 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1o6d s VAL 3 CO 0.15 -0.35 0.04 -0.60 0.00 0.00 0.00 175.10 174.34 1o6d s ARG 4 N 1.33 3.49 -0.24 2.72 3.52 -0.12 -0.46 118.95 129.20 1o6d s ARG 4 Ca 0.02 -0.35 -0.01 0.00 -0.13 0.00 0.00 55.73 55.26 1o6d s ARG 4 Cb -0.18 -3.02 0.02 0.00 -1.56 0.00 0.00 34.95 30.21 1o6d s ARG 4 CO -0.11 0.52 -0.08 0.42 -0.81 0.00 0.00 175.30 175.23 1o6d s ILE 5 N -0.33 2.74 -0.17 4.11 1.01 0.48 -0.28 121.20 128.76 1o6d s ILE 5 Ca 0.08 -1.02 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 1o6d s ILE 5 Cb -0.12 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1o6d s ILE 5 CO 0.02 0.25 0.07 0.00 0.00 0.00 0.00 174.94 175.28 1o6d s ALA 6 N 1.31 3.47 -0.03 9.38 0.00 0.15 -0.46 121.76 135.58 1o6d s ALA 6 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.24 1o6d s ALA 6 Cb -0.16 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1o6d s ALA 6 CO -0.06 0.24 -0.04 0.54 0.00 0.00 0.00 175.76 176.45 1o6d s VAL 7 N 0.18 0.42 -0.03 0.00 0.11 -0.51 -1.34 120.40 119.22 1o6d s VAL 7 Ca 0.05 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.71 1o6d s VAL 7 Cb -0.12 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1o6d s VAL 7 CO 0.00 0.18 1.06 -0.63 -3.33 0.00 0.00 175.10 172.38 1o6d s ILE 8 N 0.71 4.62 0.00 7.04 -1.09 -0.67 -0.58 121.20 131.24 1o6d s ILE 8 Ca -0.09 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.22 1o6d s ILE 8 Cb -0.12 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1o6d s ILE 8 CO -0.00 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1o6d n GLY 9 N 3.08 3.03 3.74 6.18 0.00 0.61 -4.39 105.19 117.44 1o6d n GLY 9 Ca 0.08 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1o6d n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o6d s LYS 10 N -4.22 4.49 -0.01 1.61 2.47 -1.26 -4.47 119.74 118.35 1o6d s LYS 10 Ca 0.00 1.87 -0.21 0.00 -1.56 0.00 0.00 55.97 56.08 1o6d s LYS 10 Cb 0.00 -3.24 -0.05 0.00 -1.46 0.00 0.00 37.83 33.07 1o6d s LYS 10 CO 0.00 -0.10 0.60 -0.51 0.16 0.00 0.00 175.35 175.50 1o6d s LEU 11 N -0.18 4.41 0.88 5.43 1.43 -1.26 -4.92 118.68 124.47 1o6d s LEU 11 Ca 0.53 1.15 -0.10 0.00 -1.03 0.00 0.00 54.13 54.68 1o6d s LEU 11 Cb -0.33 -2.92 0.12 0.00 0.03 0.00 0.00 46.19 43.10 1o6d s LEU 11 CO 0.36 0.09 1.13 -1.81 0.23 0.00 0.00 176.35 176.36 1o6d s ASP 12 N -0.15 3.31 0.15 2.29 1.01 -1.26 -4.74 116.67 117.28 1o6d s ASP 12 Ca 0.31 2.08 -0.25 0.00 0.71 0.00 0.00 52.55 55.40 1o6d s ASP 12 Cb -0.18 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.22 1o6d s ASP 12 CO 0.17 -2.84 1.59 1.23 0.21 0.00 0.00 175.17 175.53 1o6d h GLY 13 N -1.69 -0.43 1.61 0.21 0.00 -2.00 -1.08 103.07 99.70 1o6d h GLY 13 Ca -0.43 0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1o6d h GLY 13 CO 0.44 -0.20 0.22 0.27 0.00 0.00 0.00 176.54 177.26 1o6d h PHE 14 N -0.32 0.50 -0.61 5.60 -0.00 -1.99 -1.00 116.94 119.12 1o6d h PHE 14 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 58.06 1o6d h PHE 14 Cb 0.57 -0.16 -0.03 0.00 -0.00 0.00 0.00 35.95 36.33 1o6d h PHE 14 CO -0.54 0.34 0.17 0.82 -0.00 0.00 0.00 178.31 179.10 1o6d h ILE 15 N 0.52 1.25 -0.29 0.88 1.08 -1.59 0.15 117.51 119.51 1o6d h ILE 15 Ca 0.14 -0.86 -0.09 0.00 -0.39 0.00 0.00 64.86 63.66 1o6d h ILE 15 Cb 0.00 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1o6d h ILE 15 CO -0.02 0.33 -0.20 0.11 -0.69 0.00 0.00 178.15 177.67 1o6d h LYS 16 N 0.87 0.52 -0.32 2.37 1.57 -0.06 -0.27 116.57 121.26 1o6d h LYS 16 Ca 0.19 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1o6d h LYS 16 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1o6d h LYS 16 CO -0.00 0.69 -0.31 0.93 -0.57 0.00 0.00 179.45 180.19 1o6d h GLU 17 N 0.47 0.67 -0.46 3.15 5.08 -0.94 -2.08 114.58 120.46 1o6d h GLU 17 Ca 0.08 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1o6d h GLU 17 Cb 0.61 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1o6d h GLU 17 CO 0.04 0.89 -0.06 0.78 -1.00 0.00 0.00 179.01 179.67 1o6d h GLY 18 N 0.99 0.85 0.82 -3.84 0.00 0.03 -1.01 103.07 100.92 1o6d h GLY 18 Ca 0.07 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.81 1o6d h GLY 18 CO 0.07 0.56 0.08 -2.22 0.00 0.00 0.00 176.54 175.03 1o6d h ILE 19 N 0.73 0.95 -0.41 2.60 2.04 -0.76 -0.87 117.51 121.78 1o6d h ILE 19 Ca 0.13 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1o6d h ILE 19 Cb 0.53 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1o6d h ILE 19 CO 0.03 0.03 0.23 0.50 0.00 0.00 0.00 178.15 178.94 1o6d h LYS 20 N 0.18 0.45 0.03 2.37 3.64 -1.27 0.13 116.57 122.10 1o6d h LYS 20 Ca 0.10 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1o6d h LYS 20 Cb 0.06 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1o6d h LYS 20 CO -0.10 0.29 -0.29 1.25 -2.27 0.00 0.00 179.45 178.33 1o6d h HIS 21 N 0.46 -0.80 -0.09 1.91 2.76 -0.82 -2.00 115.15 116.57 1o6d h HIS 21 Ca 0.17 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 1o6d h HIS 21 Cb 0.04 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 1o6d h HIS 21 CO -0.08 -0.39 -0.37 1.88 -1.30 0.00 0.00 177.93 177.66 1o6d h TYR 22 N -0.46 0.22 -0.62 5.26 0.05 -0.83 -3.07 116.97 117.51 1o6d h TYR 22 Ca 0.05 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1o6d h TYR 22 Cb 0.53 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.19 1o6d h TYR 22 CO -0.31 0.54 0.34 0.93 -1.05 0.00 0.00 178.16 178.61 1o6d h GLU 23 N 0.16 0.87 -0.68 4.88 5.08 -0.55 0.42 114.58 124.77 1o6d h GLU 23 Ca 0.02 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1o6d h GLU 23 Cb 0.74 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 1o6d h GLU 23 CO 0.06 0.66 0.32 -0.22 -1.00 0.00 0.00 179.01 178.83 1o6d h LYS 24 N 0.85 0.54 0.00 2.33 3.64 -1.27 -1.94 116.57 120.72 1o6d h LYS 24 Ca 0.22 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 1o6d h LYS 24 Cb 0.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1o6d h LYS 24 CO -0.03 0.35 -0.80 0.74 -2.27 0.00 0.00 179.45 177.44 1o6d h PHE 25 N 0.55 0.00 0.00 1.91 0.04 -1.46 -3.29 116.94 114.69 1o6d h PHE 25 Ca 0.33 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.09 1o6d h PHE 25 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 1o6d h PHE 25 CO -0.12 0.80 -0.09 -0.07 -0.60 0.00 0.00 178.31 178.24 1o6d h LEU 26 N 0.00 0.00 -2.27 1.54 3.38 -0.28 -3.34 115.31 114.34 1o6d h LEU 26 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1o6d h LEU 26 Cb 1.55 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 1o6d h LEU 26 CO 0.10 0.09 -0.05 0.03 0.09 0.00 0.00 178.44 178.70 1o6d h ARG 27 N 0.00 0.00 0.00 1.13 3.08 -1.45 0.45 114.38 117.60 1o6d h ARG 27 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1o6d h ARG 27 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1o6d h ARG 27 CO 0.01 0.05 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.66 1o6d h ARG 28 N 0.00 0.00 0.00 0.04 2.43 -1.81 -3.29 114.38 111.76 1o6d h ARG 28 Ca -0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1o6d h ARG 28 Cb 0.16 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1o6d h ARG 28 CO 0.01 0.21 -1.93 1.19 -1.51 0.00 0.00 179.97 177.94 1o6d n PHE 29 N -3.61 0.00 -3.33 2.20 3.72 -0.02 -5.08 117.46 111.34 1o6d n PHE 29 Ca -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1o6d n PHE 29 Cb 0.34 -0.67 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 1o6d n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o6d s LYS 31 N -2.05 1.54 0.16 0.00 2.47 -0.45 -3.99 119.74 117.42 1o6d s LYS 31 Ca 0.03 -2.05 -0.19 0.00 -1.56 0.00 0.00 55.97 52.20 1o6d s LYS 31 Cb -0.00 -3.03 -0.07 0.00 -1.46 0.00 0.00 37.83 33.26 1o6d s LYS 31 CO 0.02 -1.02 0.64 -1.25 0.16 0.00 0.00 175.35 173.90 1o6d s PRO 32 N 0.54 4.19 -0.05 4.03 0.04 -1.26 -1.15 135.00 141.34 1o6d s PRO 32 Ca 0.13 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 61.91 1o6d s PRO 32 Cb -0.22 -3.03 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1o6d s PRO 32 CO -0.06 0.50 0.10 -1.83 0.04 0.00 0.00 177.00 175.74 1o6d s GLU 33 N -1.66 0.00 -0.26 4.56 -1.05 0.40 -4.95 118.70 115.74 1o6d s GLU 33 Ca 0.37 0.36 -0.04 0.00 -0.15 0.00 0.00 54.97 55.50 1o6d s GLU 33 Cb -0.18 -0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.24 1o6d s GLU 33 CO 0.20 -0.23 0.00 0.08 0.95 0.00 0.00 175.26 176.27 1o6d s VAL 34 N 1.58 3.46 -0.30 1.83 1.01 -1.26 -0.38 120.40 126.34 1o6d s VAL 34 Ca -0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1o6d s VAL 34 Cb -0.12 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1o6d s VAL 34 CO -0.04 0.19 0.20 -0.76 0.00 0.00 0.00 175.10 174.69 1o6d s LEU 35 N 1.43 4.18 -0.19 3.92 1.43 0.39 -4.98 118.68 124.86 1o6d s LEU 35 Ca 0.02 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 1o6d s LEU 35 Cb -0.16 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1o6d s LEU 35 CO -0.01 -0.11 0.56 -0.70 0.23 0.00 0.00 176.35 176.32 1o6d s GLU 36 N 1.74 4.21 -0.25 1.70 2.12 -1.26 -1.43 118.70 125.52 1o6d s GLU 36 Ca 0.07 0.50 -0.06 0.00 0.36 0.00 0.00 54.97 55.84 1o6d s GLU 36 Cb -0.16 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.66 1o6d s GLU 36 CO 0.11 -0.17 0.03 0.42 -0.54 0.00 0.00 175.26 175.11 1o6d s ILE 37 N 1.68 3.86 -0.41 -3.70 1.01 0.25 -4.96 121.20 118.94 1o6d s ILE 37 Ca 0.26 -0.46 -0.42 0.00 0.00 0.00 0.00 60.65 60.04 1o6d s ILE 37 Cb -0.16 -2.85 -0.17 0.00 0.01 0.00 0.00 42.46 39.30 1o6d s ILE 37 CO 0.10 0.28 1.92 2.29 0.00 0.00 0.00 174.94 179.54 1o6d n LYS 38 N 4.86 0.55 -2.20 2.79 2.85 -1.26 -0.28 118.16 125.46 1o6d n LYS 38 Ca -0.16 0.18 -0.41 0.00 -1.05 0.00 0.00 58.31 56.87 1o6d n LYS 38 Cb 0.50 -1.87 -0.01 0.00 -0.65 0.00 0.00 35.03 33.00 1o6d n LYS 38 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1o6d n ARG 39 N 6.28 2.82 -0.47 -1.58 1.74 -1.26 -4.65 116.66 119.54 1o6d n ARG 39 Ca 0.39 -2.92 0.07 0.00 -0.77 0.00 0.00 57.85 54.62 1o6d n ARG 39 Cb 0.06 -3.43 0.19 0.00 -1.02 0.00 0.00 32.46 28.25 1o6d n ARG 39 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1o6d n VAL 40 N 6.19 2.07 -3.84 1.55 0.24 -1.26 -5.05 118.33 118.22 1o6d n VAL 40 Ca 0.49 -2.92 -0.33 0.00 -2.04 0.00 0.00 64.34 59.55 1o6d n VAL 40 Cb 0.44 -0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.55 1o6d n VAL 40 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1o6d s HIS 41 N -3.06 3.54 0.29 6.34 3.76 -1.26 -5.10 115.29 119.80 1o6d s HIS 41 Ca 0.36 0.42 0.11 0.00 -0.15 0.00 0.00 55.06 55.80 1o6d s HIS 41 Cb 0.34 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.10 1o6d s HIS 41 CO -0.04 0.60 -0.16 1.03 -0.85 0.00 0.00 174.74 175.31 1o6d s ARG 42 N -2.10 1.75 0.00 1.40 0.52 -1.26 -4.90 118.95 114.36 1o6d s ARG 42 Ca 0.31 -1.78 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 1o6d s ARG 42 Cb -0.13 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1o6d s ARG 42 CO 0.21 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1o6d n GLY 43 N -0.68 0.26 3.74 -3.53 0.00 -1.26 -4.55 105.19 99.18 1o6d n GLY 43 Ca -0.05 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.45 1o6d n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o6d s SER 44 N -4.00 4.40 0.33 1.61 1.04 -1.26 -4.78 113.70 111.05 1o6d s SER 44 Ca 0.00 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.51 1o6d s SER 44 Cb 0.00 -2.55 0.60 0.00 0.10 0.00 0.00 66.02 64.17 1o6d s SER 44 CO 0.00 -2.11 1.96 0.40 0.98 0.00 0.00 173.24 174.47 1o6d h ILE 45 N -0.65 1.10 -0.66 -1.02 1.08 -1.99 -0.49 117.51 114.88 1o6d h ILE 45 Ca -0.45 -0.32 -0.05 0.00 -0.39 0.00 0.00 64.86 63.65 1o6d h ILE 45 Cb 1.26 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1o6d h ILE 45 CO 0.50 0.17 0.22 -0.08 -0.69 0.00 0.00 178.15 178.27 1o6d h GLU 46 N 0.93 1.02 -0.14 2.37 4.81 -1.99 0.77 114.58 122.35 1o6d h GLU 46 Ca 0.31 -0.21 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 1o6d h GLU 46 Cb 0.09 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1o6d h GLU 46 CO -0.10 0.88 -0.68 0.93 -0.73 0.00 0.00 179.01 179.32 1o6d h GLU 47 N 0.95 0.57 0.12 1.92 4.39 -1.83 0.14 114.58 120.85 1o6d h GLU 47 Ca 0.21 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1o6d h GLU 47 Cb 0.28 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1o6d h GLU 47 CO -0.01 1.05 -0.06 0.82 -1.16 0.00 0.00 179.01 179.65 1o6d h ILE 48 N 0.41 0.94 -0.82 3.13 2.04 -0.81 -0.86 117.51 121.54 1o6d h ILE 48 Ca -0.02 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1o6d h ILE 48 Cb 1.26 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 1o6d h ILE 48 CO 0.13 0.06 0.51 0.58 0.00 0.00 0.00 178.15 179.42 1o6d h VAL 49 N -0.28 1.22 -0.38 1.67 2.07 -0.76 -0.10 116.25 119.70 1o6d h VAL 49 Ca -0.02 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1o6d h VAL 49 Cb 0.23 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1o6d h VAL 49 CO 0.03 0.23 0.21 -0.09 0.02 0.00 0.00 177.57 177.97 1o6d h ARG 50 N 1.12 0.42 -0.34 1.57 2.43 -0.76 -0.83 114.38 117.99 1o6d h ARG 50 Ca 0.30 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.29 1o6d h ARG 50 Cb -0.07 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1o6d h ARG 50 CO -0.06 0.28 -0.38 0.87 -1.51 0.00 0.00 179.97 179.17 1o6d h LYS 51 N 0.43 0.81 -0.78 0.20 1.79 -0.81 -1.58 116.57 116.64 1o6d h LYS 51 Ca 0.15 -0.41 -0.05 0.00 -2.18 0.00 0.00 60.65 58.16 1o6d h LYS 51 Cb 0.02 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 1o6d h LYS 51 CO -0.08 1.05 0.30 0.93 -1.08 0.00 0.00 179.45 180.56 1o6d h GLU 52 N 0.66 1.18 -0.46 3.15 5.08 -0.94 -0.95 114.58 122.29 1o6d h GLU 52 Ca 0.06 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1o6d h GLU 52 Cb 0.94 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1o6d h GLU 52 CO 0.09 0.96 0.03 1.15 -1.00 0.00 0.00 179.01 180.24 1o6d h THR 53 N 1.14 1.26 -0.80 1.13 2.02 -0.95 -1.26 112.91 115.44 1o6d h THR 53 Ca 0.26 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1o6d h THR 53 Cb 0.23 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1o6d h THR 53 CO -0.02 0.35 0.52 -0.33 0.37 0.00 0.00 175.52 176.41 1o6d h GLU 54 N 0.65 1.02 -0.66 6.66 5.08 -1.14 -0.37 114.58 125.82 1o6d h GLU 54 Ca 0.14 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1o6d h GLU 54 Cb 0.45 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1o6d h GLU 54 CO 0.02 0.67 0.42 -0.44 -1.00 0.00 0.00 179.01 178.68 1o6d h ASP 55 N 1.05 0.70 -0.08 1.42 3.32 -0.69 -0.33 116.42 121.80 1o6d h ASP 55 Ca 0.30 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1o6d h ASP 55 Cb -0.07 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1o6d h ASP 55 CO -0.08 0.49 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.85 1o6d h LEU 56 N 0.83 0.14 -1.65 1.55 3.38 -0.87 -3.13 115.31 115.56 1o6d h LEU 56 Ca 0.26 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1o6d h LEU 56 Cb -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1o6d h LEU 56 CO -0.09 0.42 -0.11 0.74 0.09 0.00 0.00 178.44 179.48 1o6d h THR 57 N -0.14 1.12 0.00 0.22 2.02 -0.64 -1.56 112.91 113.93 1o6d h THR 57 Ca 0.02 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1o6d h THR 57 Cb 0.35 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1o6d h THR 57 CO 0.00 0.16 0.00 0.59 0.37 0.00 0.00 175.52 176.64 1o6d n ASN 58 N -4.36 0.00 -0.86 4.18 3.02 -0.17 -2.07 115.26 115.00 1o6d n ASN 58 Ca -0.02 0.13 0.08 0.00 -0.03 0.00 0.00 54.58 54.74 1o6d n ASN 58 Cb 0.21 -0.33 0.20 0.00 -0.61 0.00 0.00 39.78 39.25 1o6d n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1o6d n ARG 59 N -1.33 2.64 -2.07 3.52 1.74 -0.59 -4.97 116.66 115.60 1o6d n ARG 59 Ca 0.08 -2.17 -0.42 0.00 -0.77 0.00 0.00 57.85 54.56 1o6d n ARG 59 Cb 0.16 -1.36 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1o6d n ARG 59 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1o6d s ILE 60 N -1.03 3.18 0.07 0.55 1.01 -0.88 -4.95 121.20 119.15 1o6d s ILE 60 Ca 0.31 0.76 -0.31 0.00 0.00 0.00 0.00 60.65 61.41 1o6d s ILE 60 Cb 0.16 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.07 1o6d s ILE 60 CO 0.22 0.03 1.52 -0.76 0.00 0.00 0.00 174.94 175.95 1o6d s LEU 61 N 1.75 4.35 0.10 2.97 1.43 -1.26 -4.95 118.68 123.06 1o6d s LEU 61 Ca 0.68 2.36 -0.34 0.00 -1.03 0.00 0.00 54.13 55.80 1o6d s LEU 61 Cb -0.38 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.13 1o6d s LEU 61 CO 0.30 -0.79 1.61 -2.65 0.23 0.00 0.00 176.35 175.06 1o6d n PRO 62 N 5.06 2.03 -0.95 1.29 -0.02 -1.26 -1.34 135.00 139.80 1o6d n PRO 62 Ca 0.14 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1o6d n PRO 62 Cb 0.41 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1o6d n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o6d n GLY 63 N 3.53 0.60 3.91 -1.23 0.00 -1.26 -5.03 105.19 105.71 1o6d n GLY 63 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1o6d n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o6d s SER 64 N -2.17 6.26 -0.09 1.61 1.04 -0.45 -4.64 113.70 115.25 1o6d s SER 64 Ca 0.00 0.84 -0.30 0.00 0.48 0.00 0.00 55.95 56.98 1o6d s SER 64 Cb 0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1o6d s SER 64 CO 0.00 -0.54 1.05 0.12 0.98 0.00 0.00 173.24 174.85 1o6d s PHE 65 N -2.67 3.45 -0.24 5.02 2.19 0.20 -4.87 117.98 121.06 1o6d s PHE 65 Ca 0.46 1.51 -0.09 0.00 0.33 0.00 0.00 56.93 59.14 1o6d s PHE 65 Cb -0.10 -3.24 -0.04 0.00 -1.31 0.00 0.00 43.02 38.33 1o6d s PHE 65 CO 0.43 -0.47 0.12 0.08 1.83 0.00 0.00 175.22 177.22 1o6d s VAL 66 N 2.03 4.92 -0.25 3.12 1.01 -1.26 -1.29 120.40 128.68 1o6d s VAL 66 Ca 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 1o6d s VAL 66 Cb -0.20 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1o6d s VAL 66 CO 0.19 0.35 -0.04 -0.04 0.00 0.00 0.00 175.10 175.55 1o6d s MET 67 N 1.23 2.94 -0.22 2.72 -1.94 -0.06 -0.13 119.30 123.84 1o6d s MET 67 Ca 0.06 -0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 53.02 1o6d s MET 67 Cb -0.14 -3.03 -0.05 0.00 2.01 0.00 0.00 34.83 33.61 1o6d s MET 67 CO 0.05 -0.38 0.16 0.08 -0.01 0.00 0.00 175.02 174.92 1o6d s VAL 68 N 1.37 5.38 -0.16 -6.03 1.01 -0.26 -1.08 120.40 120.61 1o6d s VAL 68 Ca 0.01 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1o6d s VAL 68 Cb -0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1o6d s VAL 68 CO -0.04 0.39 0.73 -0.04 0.00 0.00 0.00 175.10 176.14 1o6d s MET 69 N 0.71 4.29 -0.26 2.72 -1.94 -0.33 -1.19 119.30 123.30 1o6d s MET 69 Ca 0.08 0.83 -0.19 0.00 -1.71 0.00 0.00 55.69 54.70 1o6d s MET 69 Cb -0.12 -3.55 0.07 0.00 2.01 0.00 0.00 34.83 33.23 1o6d s MET 69 CO 0.01 -0.23 0.66 0.34 -0.01 0.00 0.00 175.02 175.80 1o6d s ASP 70 N 1.11 -0.78 0.00 3.03 -1.08 0.05 -4.61 116.67 114.39 1o6d s ASP 70 Ca 0.34 1.38 0.07 0.00 -0.52 0.00 0.00 52.55 53.82 1o6d s ASP 70 Cb -0.16 1.34 0.33 0.00 -1.46 0.00 0.00 42.92 42.96 1o6d s ASP 70 CO 0.12 -0.23 1.12 2.29 0.52 0.00 0.00 175.17 179.00 1o6d n LYS 71 N 3.45 0.06 0.10 4.34 2.85 -1.26 -1.17 118.16 126.53 1o6d n LYS 71 Ca -0.17 0.28 0.12 0.00 -1.05 0.00 0.00 58.31 57.49 1o6d n LYS 71 Cb 0.57 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.66 1o6d n LYS 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1o6d h ARG 72 N 0.00 0.00 0.00 -1.58 3.08 -1.96 -3.45 114.38 110.47 1o6d h ARG 72 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1o6d h ARG 72 Cb 0.08 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.26 1o6d h ARG 72 CO 0.00 0.00 0.15 0.41 -1.07 0.00 0.00 179.97 179.46 1o6d n GLY 73 N 1.28 -2.21 3.75 0.04 0.00 -0.32 -4.98 105.19 102.75 1o6d n GLY 73 Ca 0.04 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 1o6d n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o6d s GLU 74 N -4.73 4.75 0.51 1.61 -1.05 0.22 -4.03 118.70 115.97 1o6d s GLU 74 Ca 0.48 1.62 -0.19 0.00 -0.15 0.00 0.00 54.97 56.72 1o6d s GLU 74 Cb -0.03 -3.26 -0.08 0.00 -0.44 0.00 0.00 34.13 30.32 1o6d s GLU 74 CO 0.35 0.35 1.03 -1.21 0.95 0.00 0.00 175.26 176.74 1o6d s GLU 75 N -1.11 3.75 -0.09 -4.83 2.02 -1.26 -0.53 118.70 116.64 1o6d s GLU 75 Ca 0.43 1.27 -0.08 0.00 0.02 0.00 0.00 54.97 56.61 1o6d s GLU 75 Cb -0.28 -2.09 0.02 0.00 0.10 0.00 0.00 34.13 31.88 1o6d s GLU 75 CO 0.35 -0.47 0.24 0.54 0.02 0.00 0.00 175.26 175.95 1o6d s VAL 76 N -2.15 -0.00 0.68 2.63 0.11 -1.25 -4.93 120.40 115.48 1o6d s VAL 76 Ca 0.65 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.61 1o6d s VAL 76 Cb -0.15 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1o6d s VAL 76 CO 0.24 0.00 1.05 -0.94 -3.33 0.00 0.00 175.10 172.12 1o6d s SER 77 N 0.16 5.47 0.30 3.54 1.04 -1.26 -4.90 113.70 118.04 1o6d s SER 77 Ca -0.00 1.01 -0.02 0.00 0.48 0.00 0.00 55.95 57.42 1o6d s SER 77 Cb -0.02 -1.85 0.44 0.00 0.10 0.00 0.00 66.02 64.69 1o6d s SER 77 CO 0.00 -1.28 1.92 0.28 0.98 0.00 0.00 173.24 175.14 1o6d h SER 78 N -0.53 0.88 -0.41 7.02 0.02 -2.00 -0.82 113.55 117.71 1o6d h SER 78 Ca -0.45 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 1o6d h SER 78 Cb 1.26 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1o6d h SER 78 CO 0.63 0.71 0.19 -0.33 -1.14 0.00 0.00 176.83 176.89 1o6d h GLU 79 N 0.99 0.59 -0.63 3.45 3.07 -2.00 -1.10 114.58 118.95 1o6d h GLU 79 Ca 0.25 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 1o6d h GLU 79 Cb 0.02 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 1o6d h GLU 79 CO -0.04 0.52 0.23 0.93 -1.40 0.00 0.00 179.01 179.26 1o6d h GLU 80 N 0.52 0.96 -0.83 2.33 5.08 -1.91 -2.47 114.58 118.26 1o6d h GLU 80 Ca 0.14 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1o6d h GLU 80 Cb 0.13 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1o6d h GLU 80 CO -0.02 0.82 0.51 0.35 -1.00 0.00 0.00 179.01 179.68 1o6d h PHE 81 N 0.89 1.08 -0.63 4.33 3.57 -0.82 -1.58 116.94 123.78 1o6d h PHE 81 Ca 0.21 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1o6d h PHE 81 Cb 0.24 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1o6d h PHE 81 CO 0.02 0.71 0.20 0.00 -2.23 0.00 0.00 178.31 177.00 1o6d h ALA 82 N 1.43 1.16 -0.16 2.41 0.00 -0.90 -0.99 119.26 122.21 1o6d h ALA 82 Ca 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1o6d h ALA 82 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1o6d h ALA 82 CO -0.06 0.58 0.07 -0.44 0.00 0.00 0.00 179.25 179.41 1o6d h ASP 83 N 0.93 0.21 -0.44 0.00 3.32 -0.95 0.40 116.42 119.89 1o6d h ASP 83 Ca 0.21 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1o6d h ASP 83 Cb 0.26 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.70 1o6d h ASP 83 CO -0.01 0.29 0.11 -0.26 -1.72 0.00 0.00 179.24 177.65 1o6d h PHE 84 N 0.12 0.18 -0.31 4.55 0.04 -0.85 -2.21 116.94 118.47 1o6d h PHE 84 Ca 0.05 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 1o6d h PHE 84 Cb 0.14 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1o6d h PHE 84 CO -0.02 0.03 -0.27 1.25 -0.60 0.00 0.00 178.31 178.70 1o6d h LEU 85 N 0.25 0.65 -0.53 1.54 5.85 -0.79 -1.99 115.31 120.29 1o6d h LEU 85 Ca 0.21 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1o6d h LEU 85 Cb 0.25 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1o6d h LEU 85 CO -0.26 0.89 0.23 0.50 -0.34 0.00 0.00 178.44 179.46 1o6d h LYS 86 N 0.55 0.79 -0.22 1.25 3.64 0.08 0.18 116.57 122.84 1o6d h LYS 86 Ca 0.07 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1o6d h LYS 86 Cb 0.75 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1o6d h LYS 86 CO 0.06 0.68 0.13 0.22 -2.27 0.00 0.00 179.45 178.27 1o6d h ASP 87 N 0.72 0.27 0.06 4.20 3.58 -1.25 0.04 116.42 124.04 1o6d h ASP 87 Ca 0.18 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.48 1o6d h ASP 87 Cb 0.17 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1o6d h ASP 87 CO -0.02 0.25 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.26 1o6d h LEU 88 N 0.26 0.33 -0.59 2.28 3.38 -1.08 -1.57 115.31 118.32 1o6d h LEU 88 Ca 0.08 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1o6d h LEU 88 Cb 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1o6d h LEU 88 CO -0.01 0.59 -0.50 -0.08 0.09 0.00 0.00 178.44 178.53 1o6d h GLU 89 N 0.29 0.53 -0.72 1.13 4.81 -0.45 -0.40 114.58 119.77 1o6d h GLU 89 Ca 0.05 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1o6d h GLU 89 Cb 0.62 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1o6d h GLU 89 CO 0.04 0.91 0.25 0.52 -0.73 0.00 0.00 179.01 180.01 1o6d h MET 90 N 0.42 1.10 0.00 1.92 2.86 -0.63 -1.99 114.93 118.62 1o6d h MET 90 Ca 0.02 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1o6d h MET 90 Cb 1.02 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1o6d h MET 90 CO 0.09 0.93 0.00 1.63 1.06 0.00 0.00 176.91 180.62 1o6d n LYS 91 N -4.31 0.04 -2.49 1.72 5.02 -0.62 -4.91 118.16 112.60 1o6d n LYS 91 Ca 0.06 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.24 1o6d n LYS 91 Cb 0.20 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1o6d n LYS 91 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1o6d n GLY 92 N 1.28 -0.29 3.73 0.72 0.00 -0.22 -4.97 105.19 105.45 1o6d n GLY 92 Ca 0.06 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1o6d n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o6d s LYS 93 N -5.02 4.30 0.79 1.61 2.20 -0.83 -4.89 119.74 117.91 1o6d s LYS 93 Ca 0.08 0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.96 1o6d s LYS 93 Cb -0.03 -3.42 0.07 0.00 -1.51 0.00 0.00 37.83 32.93 1o6d s LYS 93 CO 0.10 0.21 1.09 -0.51 -0.36 0.00 0.00 175.35 175.88 1o6d s ASP 94 N 0.47 4.47 -0.03 1.43 1.01 -1.26 -4.76 116.67 118.00 1o6d s ASP 94 Ca 0.24 1.49 0.03 0.00 0.71 0.00 0.00 52.55 55.02 1o6d s ASP 94 Cb -0.15 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1o6d s ASP 94 CO 0.09 -2.01 -0.11 -0.63 0.21 0.00 0.00 175.17 172.73 1o6d s ILE 95 N -3.05 0.93 -0.14 0.77 1.01 -0.16 -0.63 121.20 119.94 1o6d s ILE 95 Ca 0.61 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 1o6d s ILE 95 Cb -0.15 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1o6d s ILE 95 CO 0.55 0.28 -0.12 -0.89 0.00 0.00 0.00 174.94 174.77 1o6d s THR 96 N 0.17 3.09 -0.10 2.92 2.01 -0.41 -0.94 115.64 122.37 1o6d s THR 96 Ca -0.03 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1o6d s THR 96 Cb -0.09 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1o6d s THR 96 CO 0.01 0.51 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.66 1o6d s ILE 97 N 0.47 2.81 -0.13 1.82 1.01 0.62 -0.89 121.20 126.92 1o6d s ILE 97 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1o6d s ILE 97 Cb -0.16 -2.14 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1o6d s ILE 97 CO 0.04 0.55 -0.18 -0.76 0.00 0.00 0.00 174.94 174.59 1o6d s LEU 98 N 0.11 2.39 -0.10 2.97 1.43 -0.24 -0.67 118.68 124.56 1o6d s LEU 98 Ca -0.08 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1o6d s LEU 98 Cb -0.15 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1o6d s LEU 98 CO 0.05 0.14 -0.15 -0.63 0.23 0.00 0.00 176.35 175.98 1o6d s ILE 99 N 0.49 1.48 0.84 -0.59 1.01 -0.45 -1.19 121.20 122.80 1o6d s ILE 99 Ca -0.12 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1o6d s ILE 99 Cb -0.17 -1.35 0.16 0.00 0.01 0.00 0.00 42.46 41.12 1o6d s ILE 99 CO 0.05 0.44 1.17 -0.83 0.00 0.00 0.00 174.94 175.76 1o6d s GLY 100 N 0.87 1.77 0.05 6.18 0.00 -1.26 -1.66 107.32 113.27 1o6d s GLY 100 Ca -0.09 -1.42 -0.00 0.00 0.00 0.00 0.00 44.72 43.20 1o6d s GLY 100 CO 0.00 -0.76 0.07 0.61 0.00 0.00 0.00 173.10 173.03 1o6d n GLY 101 N -3.32 -0.05 0.27 0.20 0.00 -1.26 -4.52 105.19 96.50 1o6d n GLY 101 Ca 0.15 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.43 1o6d n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1o6d h PRO 102 N 0.00 0.00 -0.01 1.61 0.13 -1.99 -1.14 132.00 130.59 1o6d h PRO 102 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1o6d h PRO 102 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 1o6d h PRO 102 CO 0.02 0.04 -0.07 0.66 -0.23 0.00 0.00 178.00 178.42 1o6d n TYR 103 N -4.25 0.00 -1.24 1.56 4.01 -1.26 -5.05 117.16 110.94 1o6d n TYR 103 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1o6d n TYR 103 Cb 0.12 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1o6d n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o6d n GLY 104 N 1.20 -1.80 3.50 2.72 0.00 -0.43 -5.01 105.19 105.36 1o6d n GLY 104 Ca 0.18 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 1o6d n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1o6d s LEU 105 N 0.00 2.74 0.39 0.99 1.43 -1.26 -4.39 118.68 118.58 1o6d s LEU 105 Ca 0.00 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 1o6d s LEU 105 Cb 0.00 -1.53 -0.10 0.00 0.03 0.00 0.00 46.19 44.59 1o6d s LEU 105 CO 0.00 0.15 0.90 0.21 0.23 0.00 0.00 176.35 177.84 1o6d s ASN 106 N -2.40 6.96 0.48 2.29 3.84 -1.26 -5.00 114.94 119.84 1o6d s ASN 106 Ca 0.20 1.62 0.13 0.00 0.21 0.00 0.00 52.86 55.03 1o6d s ASN 106 Cb -0.10 -2.51 1.12 0.00 -0.55 0.00 0.00 41.25 39.21 1o6d s ASN 106 CO 0.11 -0.29 2.10 -0.33 -2.79 0.00 0.00 177.10 175.91 1o6d h GLU 107 N 2.15 0.16 -0.84 0.43 5.08 -2.00 -2.75 114.58 116.81 1o6d h GLU 107 Ca -0.49 -0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.11 1o6d h GLU 107 Cb 1.18 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1o6d h GLU 107 CO 0.62 0.13 0.68 1.49 -1.00 0.00 0.00 179.01 180.93 1o6d h GLU 108 N 0.16 0.00 -0.17 2.33 4.57 -2.00 -0.91 114.58 118.56 1o6d h GLU 108 Ca 0.04 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 1o6d h GLU 108 Cb 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1o6d h GLU 108 CO -0.01 0.00 -0.36 0.97 -1.18 0.00 0.00 179.01 178.44 1o6d h ILE 109 N 0.00 1.29 0.00 2.32 2.10 -1.85 -3.20 117.51 118.17 1o6d h ILE 109 Ca 0.40 -1.43 -0.04 0.00 1.08 0.00 0.00 64.86 64.87 1o6d h ILE 109 Cb 1.76 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 39.04 1o6d h ILE 109 CO -0.00 0.44 -0.19 -0.26 -1.08 0.00 0.00 178.15 177.05 1o6d h PHE 110 N 0.31 0.00 0.00 2.19 0.04 -1.37 -0.50 116.94 117.60 1o6d h PHE 110 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1o6d h PHE 110 Cb 0.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1o6d h PHE 110 CO 0.02 0.19 0.00 0.00 -0.60 0.00 0.00 178.31 177.92 1o6d n ALA 111 N -2.37 2.01 0.39 2.45 0.00 -1.21 -2.24 120.51 119.54 1o6d n ALA 111 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1o6d n ALA 111 Cb 0.28 -1.39 0.18 0.00 0.00 0.00 0.00 19.45 18.53 1o6d n ALA 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1o6d n LYS 112 N -1.78 2.34 -4.15 0.00 5.02 -0.20 -5.00 118.16 114.39 1o6d n LYS 112 Ca 0.05 -2.13 -0.34 0.00 -2.02 0.00 0.00 58.31 53.86 1o6d n LYS 112 Cb 0.29 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 1o6d n LYS 112 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1o6d s ALA 113 N -1.48 3.54 0.01 7.82 0.00 -0.95 -4.72 121.76 125.98 1o6d s ALA 113 Ca 0.34 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.55 1o6d s ALA 113 Cb 0.21 -1.60 -0.23 0.00 0.00 0.00 0.00 23.12 21.50 1o6d s ALA 113 CO 0.29 0.65 0.88 0.45 0.00 0.00 0.00 175.76 178.03 1o6d h HIS 114 N 4.48 0.08 -3.12 0.00 3.86 -0.85 -3.47 115.15 116.14 1o6d h HIS 114 Ca -0.50 -0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 58.51 1o6d h HIS 114 Cb 1.19 -0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.44 1o6d h HIS 114 CO 0.65 1.08 -0.35 1.03 0.86 0.00 0.00 177.93 181.21 1o6d s ARG 115 N -2.64 0.52 -0.24 2.45 1.81 -0.88 -5.03 118.95 114.95 1o6d s ARG 115 Ca -0.04 -0.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.96 1o6d s ARG 115 Cb 0.08 0.23 0.04 0.00 -0.45 0.00 0.00 34.95 34.85 1o6d s ARG 115 CO 0.83 -0.12 -0.11 0.08 -0.68 0.00 0.00 175.30 175.30 1o6d s VAL 116 N -0.81 2.46 -0.04 3.52 1.01 -1.26 -1.11 120.40 124.17 1o6d s VAL 116 Ca -0.09 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.72 1o6d s VAL 116 Cb -0.05 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1o6d s VAL 116 CO 0.02 0.21 -0.09 -0.36 0.00 0.00 0.00 175.10 174.88 1o6d s PHE 117 N 1.25 2.84 -0.17 5.22 0.08 -0.33 -0.61 117.98 126.25 1o6d s PHE 117 Ca -0.01 -0.05 -0.06 0.00 0.12 0.00 0.00 56.93 56.92 1o6d s PHE 117 Cb -0.17 -1.65 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1o6d s PHE 117 CO -0.07 0.30 0.03 0.45 -0.10 0.00 0.00 175.22 175.84 1o6d s SER 118 N -0.99 5.37 0.00 1.36 0.15 0.31 -0.77 113.70 119.14 1o6d s SER 118 Ca 0.14 0.02 0.26 0.00 0.70 0.00 0.00 55.95 57.06 1o6d s SER 118 Cb -0.11 -1.91 0.71 0.00 -1.71 0.00 0.00 66.02 63.01 1o6d s SER 118 CO 0.03 0.17 1.56 0.18 1.20 0.00 0.00 173.24 176.39 1o6d n LEU 119 N 3.53 0.36 0.00 3.45 4.77 -1.26 -3.91 117.00 123.94 1o6d n LEU 119 Ca -0.17 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1o6d n LEU 119 Cb 0.52 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1o6d n LEU 119 CO 0.35 0.08 0.00 -0.24 -1.33 0.00 0.00 177.39 176.25 1o6d n SER 120 N -1.52 0.00 0.18 -1.43 2.88 -1.26 -4.97 113.62 107.50 1o6d n SER 120 Ca 0.06 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.74 1o6d n SER 120 Cb 0.34 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.28 1o6d n SER 120 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1o6d h LYS 121 N 0.00 0.00 -7.12 -1.46 1.57 -1.94 -3.45 116.57 104.17 1o6d h LYS 121 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1o6d h LYS 121 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1o6d h LYS 121 CO 0.00 0.00 0.36 -1.64 -0.57 0.00 0.00 179.45 177.60 1o6d s MET 122 N -3.35 4.09 -0.16 3.15 -1.94 -1.26 -5.04 119.30 114.78 1o6d s MET 122 Ca 0.05 1.06 -0.21 0.00 -1.71 0.00 0.00 55.69 54.87 1o6d s MET 122 Cb 0.09 -2.16 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 1o6d s MET 122 CO 0.52 -0.15 0.65 0.99 -0.01 0.00 0.00 175.02 177.02 1o6d s THR 123 N -2.37 5.03 0.11 2.05 2.01 -1.26 -4.97 115.64 116.25 1o6d s THR 123 Ca 0.61 1.26 0.06 0.00 0.31 0.00 0.00 61.69 63.93 1o6d s THR 123 Cb -0.10 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1o6d s THR 123 CO 0.21 0.16 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.90 1o6d s PHE 124 N 1.55 2.87 0.99 4.92 0.08 -1.26 -5.12 117.98 122.02 1o6d s PHE 124 Ca 0.31 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 57.14 1o6d s PHE 124 Cb -0.16 -1.46 0.18 0.00 -0.57 0.00 0.00 43.02 41.01 1o6d s PHE 124 CO 0.12 0.47 1.10 0.95 -0.10 0.00 0.00 175.22 177.76 1o6d s THR 125 N -1.38 2.07 0.17 0.64 -4.23 -1.26 -4.82 115.64 106.84 1o6d s THR 125 Ca 0.25 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1o6d s THR 125 Cb -0.11 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.25 1o6d s THR 125 CO 0.17 -0.03 1.84 1.12 -0.54 0.00 0.00 174.62 177.18 1o6d h HIS 126 N -1.85 0.65 -0.39 3.99 2.07 -1.91 -0.35 115.15 117.36 1o6d h HIS 126 Ca -0.54 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 56.97 1o6d h HIS 126 Cb 1.33 -0.22 -0.02 0.00 2.57 0.00 0.00 27.41 31.07 1o6d h HIS 126 CO 0.29 0.41 0.14 0.78 -3.07 0.00 0.00 177.93 176.48 1o6d h GLY 127 N 0.70 0.63 1.57 6.13 0.00 -1.92 -1.94 103.07 108.24 1o6d h GLY 127 Ca 0.19 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1o6d h GLY 127 CO -0.04 0.33 -0.06 -0.33 0.00 0.00 0.00 176.54 176.44 1o6d h MET 128 N 0.48 0.53 -0.59 4.80 2.07 -1.88 -2.03 114.93 118.31 1o6d h MET 128 Ca 0.13 -0.14 0.01 0.00 -2.07 0.00 0.00 59.70 57.63 1o6d h MET 128 Cb 0.22 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 29.85 1o6d h MET 128 CO -0.01 0.61 0.39 1.15 1.07 0.00 0.00 176.91 180.12 1o6d h THR 129 N 0.50 1.15 -0.20 2.22 2.02 -0.75 0.84 112.91 118.69 1o6d h THR 129 Ca 0.10 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.02 1o6d h THR 129 Cb 0.42 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1o6d h THR 129 CO 0.02 0.15 0.07 0.58 0.37 0.00 0.00 175.52 176.71 1o6d h VAL 130 N 0.80 0.96 -0.17 3.16 2.07 -0.81 -1.19 116.25 121.07 1o6d h VAL 130 Ca 0.22 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 1o6d h VAL 130 Cb -0.09 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1o6d h VAL 130 CO -0.05 0.03 0.11 -0.07 0.02 0.00 0.00 177.57 177.61 1o6d h LEU 131 N 0.17 0.21 -0.43 2.57 3.38 -1.04 -0.12 115.31 120.05 1o6d h LEU 131 Ca 0.08 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1o6d h LEU 131 Cb 0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1o6d h LEU 131 CO -0.08 0.18 0.12 0.40 0.09 0.00 0.00 178.44 179.15 1o6d h ILE 132 N 0.21 0.82 -0.23 1.22 2.04 -0.50 -1.19 117.51 119.88 1o6d h ILE 132 Ca 0.06 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1o6d h ILE 132 Cb 0.01 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1o6d h ILE 132 CO -0.01 0.05 0.09 0.58 0.00 0.00 0.00 178.15 178.86 1o6d h VAL 133 N 0.27 1.17 -0.81 1.67 2.07 -1.08 -0.03 116.25 119.51 1o6d h VAL 133 Ca 0.20 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1o6d h VAL 133 Cb 0.23 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1o6d h VAL 133 CO -0.24 0.17 0.50 -0.07 0.02 0.00 0.00 177.57 177.96 1o6d h LEU 134 N 0.23 0.96 -0.56 2.57 3.38 -0.77 0.51 115.31 121.63 1o6d h LEU 134 Ca 0.08 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1o6d h LEU 134 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1o6d h LEU 134 CO -0.01 0.73 0.06 -0.08 0.09 0.00 0.00 178.44 179.24 1o6d h GLU 135 N 1.11 0.94 -0.78 1.13 4.81 -0.94 -1.39 114.58 119.46 1o6d h GLU 135 Ca 0.29 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1o6d h GLU 135 Cb -0.07 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1o6d h GLU 135 CO -0.06 0.92 0.45 1.96 -0.73 0.00 0.00 179.01 181.55 1o6d h GLN 136 N 0.83 1.07 -0.30 1.92 1.08 -0.52 0.70 115.11 119.90 1o6d h GLN 136 Ca 0.17 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1o6d h GLN 136 Cb 0.45 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1o6d h GLN 136 CO 0.02 0.76 0.09 0.82 -0.95 0.00 0.00 178.83 179.57 1o6d h ILE 137 N 1.08 1.20 -0.18 2.54 2.04 -0.40 0.85 117.51 124.64 1o6d h ILE 137 Ca 0.28 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1o6d h ILE 137 Cb -0.01 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1o6d h ILE 137 CO -0.05 0.22 -0.01 0.15 0.00 0.00 0.00 178.15 178.46 1o6d h PHE 138 N 0.33 -0.02 -0.61 1.37 3.57 -0.97 -1.19 116.94 119.41 1o6d h PHE 138 Ca 0.10 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 1o6d h PHE 138 Cb 0.25 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1o6d h PHE 138 CO 0.01 -0.03 0.35 -0.09 -2.23 0.00 0.00 178.31 176.31 1o6d h ARG 139 N 0.05 0.65 -0.42 1.11 2.43 -0.71 -1.01 114.38 116.48 1o6d h ARG 139 Ca 0.08 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1o6d h ARG 139 Cb 0.11 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1o6d h ARG 139 CO -0.15 0.43 0.15 0.00 -1.51 0.00 0.00 179.97 178.89 1o6d h ALA 140 N 1.30 0.55 -0.26 2.80 0.00 -0.51 -0.63 119.26 122.52 1o6d h ALA 140 Ca 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1o6d h ALA 140 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1o6d h ALA 140 CO -0.15 0.17 -0.08 0.74 0.00 0.00 0.00 179.25 179.94 1o6d h PHE 141 N 0.53 0.43 -0.10 0.00 0.05 -0.90 -1.02 116.94 115.93 1o6d h PHE 141 Ca 0.14 -0.05 -0.02 0.00 3.82 0.00 0.00 57.97 61.86 1o6d h PHE 141 Cb 0.22 -0.12 -0.00 0.00 2.00 0.00 0.00 35.95 38.05 1o6d h PHE 141 CO 0.01 0.49 -0.02 0.87 -0.18 0.00 0.00 178.31 179.47 1o6d h LYS 142 N 0.39 0.19 0.13 1.51 1.79 -0.42 -2.17 116.57 117.99 1o6d h LYS 142 Ca 0.08 -0.07 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1o6d h LYS 142 Cb 0.38 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 1o6d h LYS 142 CO 0.02 0.50 -0.34 0.82 -1.08 0.00 0.00 179.45 179.36 1o6d h ILE 143 N -0.13 0.28 -0.69 1.86 2.04 -0.76 -2.77 117.51 117.33 1o6d h ILE 143 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.99 1o6d h ILE 143 Cb 0.43 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 1o6d h ILE 143 CO 0.01 0.00 0.30 0.40 0.00 0.00 0.00 178.15 178.86 1o6d h ILE 144 N -0.58 0.76 -0.58 -0.67 2.04 -1.20 -2.67 117.51 114.61 1o6d h ILE 144 Ca 0.03 -0.17 -0.36 0.00 1.00 0.00 0.00 64.86 65.35 1o6d h ILE 144 Cb 0.61 0.23 -0.17 0.00 -0.74 0.00 0.00 36.82 36.74 1o6d h ILE 144 CO -0.19 0.09 0.47 1.41 0.00 0.00 0.00 178.15 179.92 1o6d n HIS 145 N -4.95 1.85 0.00 1.37 8.25 -0.82 -4.92 115.22 116.00 1o6d n HIS 145 Ca 0.11 -1.87 0.00 0.00 -0.26 0.00 0.00 57.72 55.70 1o6d n HIS 145 Cb 0.32 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.51 1o6d n HIS 145 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1o6d n GLY 146 N -0.10 1.58 0.00 -1.41 0.00 -1.01 -4.99 105.19 99.27 1o6d n GLY 146 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1o6d n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50