#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfy s ARG 2 N 0.00 4.23 0.52 3.23 3.52 -1.26 -5.07 118.95 124.13 3cfy s ARG 2 Ca 0.00 0.30 -0.23 0.00 -0.13 0.00 0.00 55.73 55.68 3cfy s ARG 2 Cb 0.00 -3.51 -0.06 0.00 -1.56 0.00 0.00 34.95 29.83 3cfy s ARG 2 CO 0.00 0.01 1.38 -2.14 -0.81 0.00 0.00 175.30 173.75 3cfy s PRO 3 N 1.13 3.27 -0.14 5.12 0.02 -1.26 -4.88 135.00 138.26 3cfy s PRO 3 Ca 0.22 2.30 -0.02 0.00 0.02 0.00 0.00 61.00 63.52 3cfy s PRO 3 Cb -0.15 -2.36 -0.02 0.00 0.02 0.00 0.00 34.50 31.98 3cfy s PRO 3 CO 0.08 -1.11 -0.07 1.03 -0.33 0.00 0.00 177.00 176.61 3cfy s ARG 4 N -2.79 3.48 -0.14 5.54 0.52 -1.26 -1.44 118.95 122.86 3cfy s ARG 4 Ca 0.69 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 3cfy s ARG 4 Cb -0.42 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 3cfy s ARG 4 CO 0.51 0.29 -0.17 0.08 0.02 0.00 0.00 175.30 176.03 3cfy s VAL 5 N 0.21 2.61 -0.08 3.52 1.01 0.11 -0.86 120.40 126.92 3cfy s VAL 5 Ca -0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3cfy s VAL 5 Cb -0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3cfy s VAL 5 CO 0.04 0.53 0.20 -0.22 0.00 0.00 0.00 175.10 175.64 3cfy s LEU 6 N 0.66 4.40 -0.18 3.92 2.96 -0.04 -1.05 118.68 129.36 3cfy s LEU 6 Ca -0.08 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3cfy s LEU 6 Cb -0.16 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.32 3cfy s LEU 6 CO 0.02 0.37 -0.18 -0.22 -1.32 0.00 0.00 176.35 175.02 3cfy s LEU 7 N -1.15 2.14 -0.53 -0.68 0.20 0.69 -0.31 118.68 119.04 3cfy s LEU 7 Ca 0.18 -0.67 -0.04 0.00 0.69 0.00 0.00 54.13 54.29 3cfy s LEU 7 Cb -0.13 -1.43 0.14 0.00 -0.43 0.00 0.00 46.19 44.34 3cfy s LEU 7 CO 0.07 -0.02 0.34 -0.69 -0.29 0.00 0.00 176.35 175.76 3cfy s VAL 8 N 1.31 3.66 -0.05 1.68 1.01 -0.25 -1.30 120.40 126.46 3cfy s VAL 8 Ca 0.04 -2.44 0.01 0.00 0.00 0.00 0.00 61.98 59.58 3cfy s VAL 8 Cb -0.13 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3cfy s VAL 8 CO -0.12 -0.80 -0.04 -1.61 0.00 0.00 0.00 175.10 172.54 3cfy s GLU 9 N 0.60 0.78 0.15 2.72 0.41 -0.68 -1.92 118.70 120.77 3cfy s GLU 9 Ca 0.12 -0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.50 3cfy s GLU 9 Cb -0.22 -0.85 -0.02 0.00 -1.78 0.00 0.00 34.13 31.27 3cfy s GLU 9 CO -0.04 -0.12 1.52 0.38 -0.49 0.00 0.00 175.26 176.51 3cfy h ASP 10 N 7.35 1.00 -0.89 -0.19 2.03 -1.78 -3.36 116.42 120.58 3cfy h ASP 10 Ca -0.36 -0.42 -0.53 0.00 -0.73 0.00 0.00 57.03 55.00 3cfy h ASP 10 Cb 1.15 -0.28 -0.08 0.00 -0.83 0.00 0.00 39.33 39.29 3cfy h ASP 10 CO 0.44 1.21 1.47 -0.55 -1.03 0.00 0.00 179.24 180.78 3cfy s SER 11 N -6.74 6.14 0.00 4.15 0.15 -1.26 -4.82 113.70 111.32 3cfy s SER 11 Ca -0.11 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 54.97 3cfy s SER 11 Cb 0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3cfy s SER 11 CO 0.87 -1.86 0.78 0.41 1.20 0.00 0.00 173.24 174.65 3cfy n THR 12 N 7.07 0.00 -0.01 6.45 -1.04 -1.26 -1.83 114.28 123.66 3cfy n THR 12 Ca 0.40 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.23 3cfy n THR 12 Cb 0.48 -0.11 -0.14 0.00 -1.82 0.00 0.00 70.33 68.74 3cfy n THR 12 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3cfy n SER 13 N -0.47 1.79 0.21 8.00 7.64 -1.26 -4.18 113.62 125.34 3cfy n SER 13 Ca 0.00 0.22 0.09 0.00 1.01 0.00 0.00 58.87 60.19 3cfy n SER 13 Cb 0.01 -0.61 0.35 0.00 -1.01 0.00 0.00 64.21 62.95 3cfy n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3cfy h LEU 14 N 0.05 0.00 -0.67 -3.43 5.85 -1.78 -3.15 115.31 112.18 3cfy h LEU 14 Ca -0.41 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 3cfy h LEU 14 Cb 2.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.04 3cfy h LEU 14 CO 0.07 0.27 -0.15 0.00 -0.34 0.00 0.00 178.44 178.29 3cfy h ALA 15 N 1.73 0.86 -0.07 1.25 0.00 -1.70 -1.88 119.26 119.45 3cfy h ALA 15 Ca -0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 3cfy h ALA 15 Cb 0.89 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3cfy h ALA 15 CO 0.03 0.64 -0.56 0.82 0.00 0.00 0.00 179.25 180.19 3cfy h ILE 16 N 0.78 1.37 -0.52 0.00 2.04 -1.71 0.06 117.51 119.54 3cfy h ILE 16 Ca 0.12 -1.88 -0.10 0.00 1.00 0.00 0.00 64.86 64.01 3cfy h ILE 16 Cb 0.68 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 3cfy h ILE 16 CO 0.05 0.55 -0.06 0.25 0.00 0.00 0.00 178.15 178.94 3cfy h LEU 17 N 0.16 0.91 -0.99 1.44 5.85 -1.55 0.24 115.31 121.36 3cfy h LEU 17 Ca -0.00 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.35 3cfy h LEU 17 Cb 1.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3cfy h LEU 17 CO 0.08 1.01 -0.50 1.88 -0.34 0.00 0.00 178.44 180.57 3cfy h TYR 18 N 0.84 0.00 -0.01 1.25 0.99 -1.02 -0.76 116.97 118.26 3cfy h TYR 18 Ca 0.15 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.73 3cfy h TYR 18 Cb 0.58 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.29 3cfy h TYR 18 CO 0.04 0.50 -0.70 0.87 -0.00 0.00 0.00 178.16 178.87 3cfy h LYS 19 N 0.00 0.04 -0.21 4.88 1.57 -0.63 -3.08 116.57 119.14 3cfy h LYS 19 Ca -0.01 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 3cfy h LYS 19 Cb 0.89 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3cfy h LYS 19 CO 0.07 0.72 -0.55 0.37 -0.57 0.00 0.00 179.45 179.49 3cfy h GLN 20 N 0.02 0.62 -0.64 3.15 5.75 -0.04 -2.34 115.11 121.63 3cfy h GLN 20 Ca -0.01 -0.39 -0.01 0.00 -0.15 0.00 0.00 58.65 58.09 3cfy h GLN 20 Cb 1.24 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.80 3cfy h GLN 20 CO 0.09 1.01 0.38 1.88 -2.65 0.00 0.00 178.83 179.54 3cfy h TYR 21 N 0.48 0.86 -0.48 3.99 0.99 -1.16 -3.12 116.97 118.52 3cfy h TYR 21 Ca 0.01 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 3cfy h TYR 21 Cb 1.10 -0.28 -0.01 0.00 1.00 0.00 0.00 36.73 38.54 3cfy h TYR 21 CO 0.05 0.59 0.02 1.33 -0.00 0.00 0.00 178.16 180.15 3cfy n VAL 22 N -4.57 2.63 -0.35 -2.88 0.24 -1.17 -4.65 118.33 107.58 3cfy n VAL 22 Ca 0.05 -1.60 0.04 0.00 -2.04 0.00 0.00 64.34 60.79 3cfy n VAL 22 Cb 0.06 -0.28 0.19 0.00 -1.47 0.00 0.00 33.84 32.35 3cfy n VAL 22 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3cfy h LYS 23 N 3.16 1.02 -0.69 7.34 1.79 -1.36 -2.47 116.57 125.36 3cfy h LYS 23 Ca 0.02 -0.06 -0.38 0.00 -2.18 0.00 0.00 60.65 58.05 3cfy h LYS 23 Cb 1.84 -0.23 -0.22 0.00 -1.58 0.00 0.00 32.23 32.04 3cfy h LYS 23 CO 0.42 0.67 0.25 -0.25 -1.08 0.00 0.00 179.45 179.47 3cfy n ASP 24 N -4.58 3.63 -4.83 0.86 8.00 -1.26 -4.97 116.55 113.40 3cfy n ASP 24 Ca 0.16 -3.73 -0.32 0.00 0.71 0.00 0.00 54.79 51.61 3cfy n ASP 24 Cb 0.25 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 3cfy n ASP 24 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cfy s GLU 25 N -3.35 3.17 -0.02 -1.24 0.41 -0.93 -5.02 118.70 111.71 3cfy s GLU 25 Ca 0.52 -0.48 -0.04 0.00 -0.41 0.00 0.00 54.97 54.55 3cfy s GLU 25 Cb 0.45 -2.91 -0.18 0.00 -1.78 0.00 0.00 34.13 29.71 3cfy s GLU 25 CO 0.04 0.63 3.11 -0.35 -0.49 0.00 0.00 175.26 178.20 3cfy n PRO 26 N 0.86 1.72 -3.85 0.39 -0.04 -1.26 -4.79 135.00 128.02 3cfy n PRO 26 Ca -0.10 -0.75 -0.09 0.00 -0.04 0.00 0.00 63.50 62.51 3cfy n PRO 26 Cb 0.52 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 3cfy n PRO 26 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3cfy s TYR 27 N 0.59 0.14 -0.01 0.54 1.13 -1.26 -4.48 117.35 114.00 3cfy s TYR 27 Ca 0.47 -0.56 -0.20 0.00 -1.41 0.00 0.00 57.07 55.37 3cfy s TYR 27 Cb 0.23 -0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.99 3cfy s TYR 27 CO -0.01 -0.54 0.57 -0.51 -2.51 0.00 0.00 175.55 172.55 3cfy s ASP 28 N -2.84 6.94 -0.15 -0.18 1.01 -0.52 -4.95 116.67 115.99 3cfy s ASP 28 Ca 0.05 1.12 -0.01 0.00 0.71 0.00 0.00 52.55 54.42 3cfy s ASP 28 Cb 0.05 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 3cfy s ASP 28 CO -0.11 0.11 -0.12 -0.51 0.21 0.00 0.00 175.17 174.75 3cfy s ILE 29 N -0.19 3.07 0.08 0.77 2.07 -1.26 0.09 121.20 125.83 3cfy s ILE 29 Ca 0.30 -0.64 0.09 0.00 -1.41 0.00 0.00 60.65 58.99 3cfy s ILE 29 Cb -0.18 -2.31 -0.03 0.00 0.13 0.00 0.00 42.46 40.07 3cfy s ILE 29 CO 0.16 0.51 -0.24 -0.36 -1.91 0.00 0.00 174.94 173.11 3cfy s PHE 30 N 0.55 2.05 -0.06 3.50 0.08 -0.21 -4.99 117.98 118.91 3cfy s PHE 30 Ca -0.08 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.62 3cfy s PHE 30 Cb -0.16 -1.18 -0.00 0.00 -0.57 0.00 0.00 43.02 41.12 3cfy s PHE 30 CO 0.04 0.18 -0.19 -1.58 -0.10 0.00 0.00 175.22 173.57 3cfy s HIS 31 N -0.94 1.96 0.19 0.36 5.65 -1.26 -0.22 115.29 121.02 3cfy s HIS 31 Ca 0.10 -0.63 0.08 0.00 0.25 0.00 0.00 55.06 54.85 3cfy s HIS 31 Cb -0.10 -1.32 -0.04 0.00 -1.18 0.00 0.00 32.58 29.94 3cfy s HIS 31 CO 0.03 -0.23 -0.16 0.14 -0.65 0.00 0.00 174.74 173.87 3cfy s VAL 32 N 0.14 1.75 -0.13 0.89 -7.23 -0.42 -4.97 120.40 110.44 3cfy s VAL 32 Ca -0.08 -2.09 0.13 0.00 -1.81 0.00 0.00 61.98 58.14 3cfy s VAL 32 Cb -0.14 -1.95 -0.19 0.00 0.56 0.00 0.00 36.38 34.66 3cfy s VAL 32 CO 0.04 -0.49 0.10 -0.62 -0.31 0.00 0.00 175.10 173.81 3cfy n GLU 33 N -0.11 1.43 -4.43 4.82 4.71 -1.26 -1.68 120.64 124.12 3cfy n GLU 33 Ca -0.10 -0.03 -0.24 0.00 -0.01 0.00 0.00 57.16 56.78 3cfy n GLU 33 Cb 0.59 -1.38 -0.09 0.00 -1.01 0.00 0.00 31.44 29.55 3cfy n GLU 33 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3cfy s THR 34 N -2.47 2.65 0.29 2.62 -4.23 -1.26 -3.54 115.64 109.70 3cfy s THR 34 Ca -0.07 -2.22 0.02 0.00 -1.18 0.00 0.00 61.69 58.24 3cfy s THR 34 Cb 0.05 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.47 3cfy s THR 34 CO 0.61 -0.34 1.78 1.23 -0.54 0.00 0.00 174.62 177.37 3cfy h GLY 35 N 2.09 0.62 1.90 3.99 0.00 -1.94 -2.44 103.07 107.30 3cfy h GLY 35 Ca -0.41 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.32 3cfy h GLY 35 CO 0.63 0.40 -0.76 0.07 0.00 0.00 0.00 176.54 176.88 3cfy h ARG 36 N 0.54 0.09 -0.04 4.80 0.11 -1.97 -2.08 114.38 115.83 3cfy h ARG 36 Ca 0.10 -0.08 -0.13 0.00 0.10 0.00 0.00 59.98 59.96 3cfy h ARG 36 Cb 0.50 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 3cfy h ARG 36 CO 0.03 0.80 -0.59 -0.44 0.10 0.00 0.00 179.97 179.87 3cfy h ASP 37 N 0.06 0.13 0.42 0.08 3.32 -1.96 -2.15 116.42 116.32 3cfy h ASP 37 Ca -0.02 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3cfy h ASP 37 Cb 1.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3cfy h ASP 37 CO 0.11 0.69 -0.20 0.00 -1.72 0.00 0.00 179.24 178.11 3cfy h ALA 38 N 1.31 -0.57 -0.75 3.45 0.00 -1.32 -1.76 119.26 119.63 3cfy h ALA 38 Ca -0.01 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.86 3cfy h ALA 38 Cb 1.06 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 3cfy h ALA 38 CO 0.08 -0.73 0.33 0.82 0.00 0.00 0.00 179.25 179.76 3cfy h ILE 39 N -0.75 0.72 -0.04 0.00 2.04 -1.37 -0.30 117.51 117.81 3cfy h ILE 39 Ca -0.06 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 3cfy h ILE 39 Cb 0.52 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3cfy h ILE 39 CO 0.10 0.09 -0.43 1.56 0.00 0.00 0.00 178.15 179.47 3cfy h GLN 40 N 0.51 0.09 -0.32 2.37 4.20 -1.38 -1.09 115.11 119.49 3cfy h GLN 40 Ca 0.40 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.90 3cfy h GLN 40 Cb 0.55 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 3cfy h GLN 40 CO -0.36 0.51 -0.46 0.35 -0.67 0.00 0.00 178.83 178.20 3cfy h PHE 41 N 0.08 1.03 -0.32 2.96 3.04 -0.32 -2.63 116.94 120.78 3cfy h PHE 41 Ca 0.00 -0.34 -0.04 0.00 3.98 0.00 0.00 57.97 61.58 3cfy h PHE 41 Cb 0.80 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3cfy h PHE 41 CO 0.01 1.14 0.06 0.82 -2.02 0.00 0.00 178.31 178.32 3cfy h ILE 42 N 0.67 1.23 -0.02 1.41 2.04 -0.69 0.22 117.51 122.37 3cfy h ILE 42 Ca 0.04 -0.80 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 3cfy h ILE 42 Cb 1.05 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3cfy h ILE 42 CO 0.10 0.26 -0.44 -0.33 0.00 0.00 0.00 178.15 177.75 3cfy h GLU 43 N 0.36 0.04 0.00 2.37 4.39 -1.25 -2.71 114.58 117.77 3cfy h GLU 43 Ca 0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3cfy h GLU 43 Cb 0.34 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3cfy h GLU 43 CO 0.01 0.47 -0.10 -2.13 -1.16 0.00 0.00 179.01 176.09 3cfy n ARG 44 N -4.01 0.08 0.17 2.33 0.00 -0.99 -4.70 116.66 109.53 3cfy n ARG 44 Ca -0.02 0.23 0.04 0.00 -0.00 0.00 0.00 57.85 58.10 3cfy n ARG 44 Cb 0.47 -0.84 0.23 0.00 0.00 0.00 0.00 32.46 32.33 3cfy n ARG 44 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 3cfy h SER 45 N -0.16 0.00 -5.97 6.15 0.02 -1.13 -3.49 113.55 108.97 3cfy h SER 45 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 3cfy h SER 45 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3cfy h SER 45 CO 0.00 0.45 -0.48 0.29 -1.14 0.00 0.00 176.83 175.95 3cfy n LYS 46 N -3.48 -1.43 -1.40 3.45 5.02 -1.02 -4.97 118.16 114.33 3cfy n LYS 46 Ca 0.00 1.18 -0.31 0.00 -2.02 0.00 0.00 58.31 57.16 3cfy n LYS 46 Cb 0.59 -4.25 0.07 0.00 -0.02 0.00 0.00 35.03 31.42 3cfy n LYS 46 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3cfy s PRO 47 N -3.83 2.55 0.12 1.97 0.04 -1.26 -4.98 135.00 129.61 3cfy s PRO 47 Ca 0.00 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 3cfy s PRO 47 Cb -0.00 -1.94 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 3cfy s PRO 47 CO 0.81 -1.41 1.28 1.96 0.04 0.00 0.00 177.00 179.67 3cfy h GLN 48 N -0.92 0.30 -3.35 4.56 7.50 -1.31 -3.43 115.11 118.46 3cfy h GLN 48 Ca -0.44 -0.38 -0.16 0.00 0.50 0.00 0.00 58.65 58.17 3cfy h GLN 48 Cb 1.22 0.12 -0.24 0.00 0.05 0.00 0.00 27.48 28.63 3cfy h GLN 48 CO 0.54 1.10 -0.49 -1.17 -1.50 0.00 0.00 178.83 177.31 3cfy s LEU 49 N -7.45 1.36 -0.13 1.46 0.20 -1.15 -2.51 118.68 110.46 3cfy s LEU 49 Ca -0.04 0.16 0.01 0.00 0.69 0.00 0.00 54.13 54.94 3cfy s LEU 49 Cb 0.09 0.68 -0.01 0.00 -0.43 0.00 0.00 46.19 46.52 3cfy s LEU 49 CO 0.86 -0.19 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.95 3cfy s ILE 50 N -0.48 2.84 -0.49 6.68 1.01 0.32 -0.86 121.20 130.22 3cfy s ILE 50 Ca -0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 3cfy s ILE 50 Cb -0.04 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.32 3cfy s ILE 50 CO 0.01 0.53 0.50 -0.63 0.00 0.00 0.00 174.94 175.34 3cfy s ILE 51 N 0.39 5.07 -0.22 2.92 1.01 0.58 -0.99 121.20 129.96 3cfy s ILE 51 Ca -0.12 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 3cfy s ILE 51 Cb -0.16 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3cfy s ILE 51 CO 0.06 -0.67 0.03 -0.22 0.00 0.00 0.00 174.94 174.13 3cfy s LEU 52 N 2.09 3.32 0.21 2.97 2.96 0.51 -1.09 118.68 129.65 3cfy s LEU 52 Ca 0.09 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.53 3cfy s LEU 52 Cb -0.22 -1.86 -0.08 0.00 0.50 0.00 0.00 46.19 44.52 3cfy s LEU 52 CO 0.09 0.02 0.83 -0.62 -1.32 0.00 0.00 176.35 175.36 3cfy s ASP 53 N 1.27 7.43 0.15 3.68 2.15 -0.81 -0.80 116.67 129.74 3cfy s ASP 53 Ca 0.04 1.73 0.01 0.00 0.43 0.00 0.00 52.55 54.76 3cfy s ASP 53 Cb -0.15 -2.53 -0.06 0.00 -0.30 0.00 0.00 42.92 39.88 3cfy s ASP 53 CO 0.02 0.15 1.34 -0.07 -0.17 0.00 0.00 175.17 176.44 3cfy h LEU 54 N 4.08 0.29 -8.57 -1.34 3.38 -1.90 -3.38 115.31 107.87 3cfy h LEU 54 Ca -0.47 -0.25 -0.68 0.00 0.09 0.00 0.00 57.88 56.58 3cfy h LEU 54 Cb 1.20 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.69 3cfy h LEU 54 CO 0.66 1.07 -0.12 -0.75 0.09 0.00 0.00 178.44 179.40 3cfy s LYS 55 N -3.12 3.19 0.07 1.13 2.20 -1.26 -1.27 119.74 120.68 3cfy s LYS 55 Ca -0.03 -0.61 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 3cfy s LYS 55 Cb 0.10 -3.95 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 3cfy s LYS 55 CO 0.84 -0.87 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.29 3cfy s LEU 56 N 2.32 2.24 0.47 5.43 1.43 -1.24 -4.49 118.68 124.85 3cfy s LEU 56 Ca 0.15 -0.58 0.31 0.00 -1.03 0.00 0.00 54.13 52.99 3cfy s LEU 56 Cb -0.16 -0.65 1.32 0.00 0.03 0.00 0.00 46.19 46.73 3cfy s LEU 56 CO 0.15 0.00 1.93 1.55 0.23 0.00 0.00 176.35 180.21 3cfy h PRO 57 N 4.47 0.00 0.00 1.29 0.13 -1.97 -3.30 132.00 132.63 3cfy h PRO 57 Ca -0.41 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 3cfy h PRO 57 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3cfy h PRO 57 CO 0.41 0.00 -1.71 -0.40 -0.23 0.00 0.00 178.00 176.08 3cfy n ASP 58 N -2.84 2.23 -2.21 1.44 3.85 -1.26 -5.09 116.55 112.68 3cfy n ASP 58 Ca 0.01 0.00 -0.07 0.00 -0.71 0.00 0.00 54.79 54.02 3cfy n ASP 58 Cb 0.27 1.01 0.01 0.00 -1.35 0.00 0.00 41.12 41.05 3cfy n ASP 58 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.20 177.34 3cfy n MET 59 N -2.27 0.69 -2.13 0.11 0.00 -1.24 -5.03 117.12 107.25 3cfy n MET 59 Ca -0.14 -1.55 -0.30 0.00 0.00 0.00 0.00 57.70 55.71 3cfy n MET 59 Cb 0.70 1.83 0.01 0.00 0.00 0.00 0.00 33.22 35.76 3cfy n MET 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 3cfy s SER 60 N -2.38 6.15 0.12 3.17 0.15 -1.26 -3.61 113.70 116.03 3cfy s SER 60 Ca 0.12 1.21 -0.13 0.00 0.70 0.00 0.00 55.95 57.86 3cfy s SER 60 Cb -0.03 -2.32 -0.07 0.00 -1.71 0.00 0.00 66.02 61.89 3cfy s SER 60 CO 0.09 -0.83 1.44 1.23 1.20 0.00 0.00 173.24 176.37 3cfy h GLY 61 N -0.17 0.88 0.21 9.45 0.00 -1.36 -3.02 103.07 109.05 3cfy h GLY 61 Ca -0.45 -0.91 0.21 0.00 0.00 0.00 0.00 47.33 46.18 3cfy h GLY 61 CO 0.62 0.82 0.62 -2.09 0.00 0.00 0.00 176.54 176.51 3cfy h GLU 62 N 0.59 0.41 -0.07 4.80 4.81 -1.88 -0.83 114.58 122.42 3cfy h GLU 62 Ca 0.05 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3cfy h GLU 62 Cb 0.92 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3cfy h GLU 62 CO 0.08 0.27 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.98 3cfy h ASP 63 N 0.43 0.11 -0.19 1.04 3.45 -1.92 0.19 116.42 119.52 3cfy h ASP 63 Ca 0.50 -0.03 -0.13 0.00 0.43 0.00 0.00 57.03 57.81 3cfy h ASP 63 Cb 1.22 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3cfy h ASP 63 CO -0.21 0.34 -0.37 0.58 -1.57 0.00 0.00 179.24 178.01 3cfy h VAL 64 N 0.10 1.33 -0.75 -1.35 2.07 -1.22 -2.75 116.25 113.68 3cfy h VAL 64 Ca 0.02 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.94 3cfy h VAL 64 Cb 0.45 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3cfy h VAL 64 CO 0.03 0.49 0.50 0.25 0.02 0.00 0.00 177.57 178.86 3cfy h LEU 65 N 0.25 0.85 -1.71 2.57 6.46 -1.23 -2.24 115.31 120.27 3cfy h LEU 65 Ca 0.01 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 3cfy h LEU 65 Cb 0.97 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 3cfy h LEU 65 CO 0.08 0.61 0.22 0.44 -0.62 0.00 0.00 178.44 179.17 3cfy h ASP 66 N 1.00 0.34 0.34 1.25 3.45 -0.95 -2.37 116.42 119.48 3cfy h ASP 66 Ca 0.28 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.58 3cfy h ASP 66 Cb -0.09 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 3cfy h ASP 66 CO -0.07 0.24 -0.63 -0.25 -1.57 0.00 0.00 179.24 176.96 3cfy h TRP 67 N 0.40 0.36 -0.32 4.55 2.91 -1.10 -2.36 115.95 120.39 3cfy h TRP 67 Ca 0.13 -0.14 -0.16 0.00 1.13 0.00 0.00 58.89 59.85 3cfy h TRP 67 Cb 0.02 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 28.61 3cfy h TRP 67 CO -0.00 0.83 -0.42 0.82 -1.03 0.00 0.00 178.44 178.64 3cfy h ILE 68 N 0.20 1.28 -0.16 2.65 2.04 -1.16 -2.02 117.51 120.35 3cfy h ILE 68 Ca -0.01 -1.60 -0.11 0.00 1.00 0.00 0.00 64.86 64.14 3cfy h ILE 68 Cb 1.15 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 3cfy h ILE 68 CO 0.10 0.52 -0.37 0.78 0.00 0.00 0.00 178.15 179.18 3cfy h ASN 69 N 0.62 0.36 -0.02 1.72 2.35 -1.47 -1.69 115.58 117.45 3cfy h ASN 69 Ca 0.04 -0.15 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 3cfy h ASN 69 Cb 1.02 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.30 3cfy h ASN 69 CO 0.10 0.71 -0.56 1.56 -1.65 0.00 0.00 177.43 177.59 3cfy h GLN 70 N 0.30 0.42 -0.58 0.81 1.08 -1.37 -3.31 115.11 112.47 3cfy h GLN 70 Ca 0.03 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 3cfy h GLN 70 Cb 0.79 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3cfy h GLN 70 CO 0.06 1.08 0.00 0.09 -0.95 0.00 0.00 178.83 179.11 3cfy n ASN 71 N -4.24 3.08 -3.87 1.46 3.02 -0.76 -4.98 115.26 108.97 3cfy n ASN 71 Ca -0.10 -2.00 -0.37 0.00 -0.03 0.00 0.00 54.58 52.08 3cfy n ASN 71 Cb 0.65 -0.39 0.03 0.00 -0.61 0.00 0.00 39.78 39.46 3cfy n ASN 71 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3cfy n ASP 72 N 1.18 -4.31 -4.71 6.41 8.00 -0.69 -4.97 116.55 117.45 3cfy n ASP 72 Ca 0.19 -1.14 -0.40 0.00 0.71 0.00 0.00 54.79 54.16 3cfy n ASP 72 Cb 0.49 -2.64 -0.05 0.00 -0.02 0.00 0.00 41.12 38.90 3cfy n ASP 72 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cfy s ILE 73 N -3.55 5.05 -1.25 0.53 -1.09 -0.86 -4.99 121.20 115.04 3cfy s ILE 73 Ca 0.44 1.43 -0.19 0.00 -2.23 0.00 0.00 60.65 60.09 3cfy s ILE 73 Cb -0.19 -4.03 0.05 0.00 -1.58 0.00 0.00 42.46 36.71 3cfy s ILE 73 CO 0.91 0.25 1.72 -2.84 -1.23 0.00 0.00 174.94 173.75 3cfy s PRO 74 N 0.85 3.80 -0.04 2.79 0.02 -1.26 -4.87 135.00 136.28 3cfy s PRO 74 Ca 0.37 -1.79 -0.02 0.00 0.02 0.00 0.00 61.00 59.58 3cfy s PRO 74 Cb -0.18 -5.49 0.03 0.00 0.02 0.00 0.00 34.50 28.89 3cfy s PRO 74 CO 0.18 -2.41 0.06 0.99 -0.33 0.00 0.00 177.00 175.49 3cfy s THR 75 N 4.96 -0.12 0.20 0.99 2.01 -1.26 -4.81 115.64 117.62 3cfy s THR 75 Ca 0.54 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.65 3cfy s THR 75 Cb 0.03 -0.15 -0.09 0.00 0.01 0.00 0.00 72.50 72.30 3cfy s THR 75 CO 0.06 0.17 1.31 -0.44 -0.69 0.00 0.00 174.62 175.03 3cfy s SER 76 N 2.10 6.90 -0.20 3.53 0.01 -1.05 -4.89 113.70 120.11 3cfy s SER 76 Ca 0.04 2.40 -0.02 0.00 1.31 0.00 0.00 55.95 59.68 3cfy s SER 76 Cb -0.12 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3cfy s SER 76 CO -0.03 -0.52 -0.10 -0.69 0.41 0.00 0.00 173.24 172.30 3cfy s VAL 77 N 0.09 2.90 -0.12 3.43 1.01 -1.26 -0.52 120.40 125.93 3cfy s VAL 77 Ca 0.56 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3cfy s VAL 77 Cb -0.36 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3cfy s VAL 77 CO 0.38 0.47 -0.03 0.27 0.00 0.00 0.00 175.10 176.20 3cfy s ILE 78 N 1.30 4.02 0.02 2.22 -4.36 -0.16 0.27 121.20 124.51 3cfy s ILE 78 Ca 0.04 -0.34 -0.14 0.00 -0.26 0.00 0.00 60.65 59.95 3cfy s ILE 78 Cb -0.14 -2.72 -0.06 0.00 1.25 0.00 0.00 42.46 40.80 3cfy s ILE 78 CO -0.05 0.55 0.42 -0.63 0.24 0.00 0.00 174.94 175.46 3cfy s ILE 79 N -0.26 5.01 -0.17 8.37 1.09 0.10 -0.36 121.20 134.99 3cfy s ILE 79 Ca 0.05 0.81 -0.02 0.00 -1.10 0.00 0.00 60.65 60.39 3cfy s ILE 79 Cb -0.13 -3.71 0.05 0.00 -1.06 0.00 0.00 42.46 37.61 3cfy s ILE 79 CO 0.02 0.53 0.01 0.00 -0.10 0.00 0.00 174.94 175.40 3cfy s ALA 80 N -1.14 1.09 0.09 9.38 0.00 0.02 0.81 121.76 132.01 3cfy s ALA 80 Ca 0.26 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 3cfy s ALA 80 Cb -0.16 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.86 3cfy s ALA 80 CO 0.14 -0.96 0.23 -0.08 0.00 0.00 0.00 175.76 175.09 3cfy s THR 81 N 1.81 0.13 0.22 0.00 -1.32 -1.12 -3.88 115.64 111.48 3cfy s THR 81 Ca 0.00 -1.06 0.03 0.00 -1.21 0.00 0.00 61.69 59.45 3cfy s THR 81 Cb -0.16 -1.29 -0.03 0.00 -1.51 0.00 0.00 72.50 69.51 3cfy s THR 81 CO -0.07 -0.59 0.37 0.00 -2.21 0.00 0.00 174.62 172.12 3cfy s ALA 82 N -3.78 3.90 -1.17 11.08 0.00 -1.26 -1.78 121.76 128.75 3cfy s ALA 82 Ca 0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 3cfy s ALA 82 Cb 0.04 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 3cfy s ALA 82 CO -0.11 0.32 0.76 1.58 0.00 0.00 0.00 175.76 178.32 3cfy n HIS 83 N -1.10 -1.97 -4.74 0.00 -0.00 -1.26 -4.95 115.22 101.19 3cfy n HIS 83 Ca -0.07 0.60 -0.33 0.00 -0.00 0.00 0.00 57.72 57.91 3cfy n HIS 83 Cb 0.56 -3.71 -0.13 0.00 -0.00 0.00 0.00 29.99 26.70 3cfy n HIS 83 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3cfy s GLY 84 N -3.68 1.59 0.52 1.57 0.00 -1.26 -5.13 107.32 100.93 3cfy s GLY 84 Ca 0.36 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 44.24 3cfy s GLY 84 CO 0.84 -0.45 0.55 -1.35 0.00 0.00 0.00 173.10 172.68 3cfy s SER 85 N -0.22 4.94 0.10 1.64 1.04 -1.26 -4.99 113.70 114.95 3cfy s SER 85 Ca 0.01 -0.96 -0.21 0.00 0.48 0.00 0.00 55.95 55.27 3cfy s SER 85 Cb -0.13 0.12 -0.11 0.00 0.10 0.00 0.00 66.02 66.00 3cfy s SER 85 CO 0.03 -1.08 1.70 0.58 0.98 0.00 0.00 173.24 175.45 3cfy h VAL 86 N 0.60 1.08 -0.87 5.02 2.07 -2.00 -1.94 116.25 120.21 3cfy h VAL 86 Ca -0.35 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 66.98 3cfy h VAL 86 Cb 1.29 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 3cfy h VAL 86 CO 0.51 0.07 0.56 0.44 0.02 0.00 0.00 177.57 179.17 3cfy h ASP 87 N 0.11 0.94 -0.32 0.57 3.32 -1.99 -1.06 116.42 117.99 3cfy h ASP 87 Ca 0.04 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3cfy h ASP 87 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3cfy h ASP 87 CO -0.01 0.65 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.76 3cfy h LEU 88 N 1.10 0.90 0.10 1.55 -0.00 -1.94 -2.02 115.31 115.00 3cfy h LEU 88 Ca 0.34 -0.38 -0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3cfy h LEU 88 Cb -0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.40 3cfy h LEU 88 CO -0.11 1.14 -0.05 0.00 -0.00 0.00 0.00 178.44 179.43 3cfy h ALA 89 N 0.90 -0.13 -0.18 1.53 0.00 -1.03 -1.86 119.26 118.49 3cfy h ALA 89 Ca 0.07 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3cfy h ALA 89 Cb 0.89 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 3cfy h ALA 89 CO 0.08 -0.51 -0.12 0.28 0.00 0.00 0.00 179.25 178.98 3cfy h VAL 90 N -0.27 0.65 -0.06 0.00 2.07 -1.20 -0.72 116.25 116.72 3cfy h VAL 90 Ca -0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3cfy h VAL 90 Cb 0.22 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3cfy h VAL 90 CO 0.02 0.00 -0.30 0.78 0.02 0.00 0.00 177.57 178.09 3cfy h ASN 91 N -0.11 0.11 -0.06 0.57 2.35 -1.35 -0.88 115.58 116.21 3cfy h ASN 91 Ca 0.11 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.60 3cfy h ASN 91 Cb 0.27 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.63 3cfy h ASN 91 CO -0.25 0.42 -0.82 -0.07 -1.65 0.00 0.00 177.43 175.06 3cfy h LEU 92 N 0.10 0.82 -0.77 1.61 4.07 -0.99 -2.17 115.31 117.97 3cfy h LEU 92 Ca 0.01 -0.70 -0.06 0.00 0.08 0.00 0.00 57.88 57.22 3cfy h LEU 92 Cb 0.60 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 3cfy h LEU 92 CO 0.04 1.40 0.26 0.40 -1.08 0.00 0.00 178.44 179.46 3cfy h ILE 93 N 0.31 1.26 -0.48 1.22 1.08 -0.91 -1.89 117.51 118.10 3cfy h ILE 93 Ca -0.09 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 63.48 3cfy h ILE 93 Cb 1.47 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 3cfy h ILE 93 CO 0.16 0.35 0.23 1.56 -0.69 0.00 0.00 178.15 179.76 3cfy h GLN 94 N 1.14 0.67 0.00 2.37 4.20 -1.21 -1.79 115.11 120.50 3cfy h GLN 94 Ca 0.25 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3cfy h GLN 94 Cb 0.28 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3cfy h GLN 94 CO -0.01 0.53 0.00 1.63 -0.67 0.00 0.00 178.83 180.30 3cfy n LYS 95 N -4.38 0.68 0.00 1.46 5.02 -0.77 -4.85 118.16 115.32 3cfy n LYS 95 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3cfy n LYS 95 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3cfy n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cfy n GLY 96 N 0.50 0.92 3.76 0.72 0.00 -0.67 -4.94 105.19 105.48 3cfy n GLY 96 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3cfy n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfy s ALA 97 N -2.00 3.01 -0.46 4.61 0.00 -0.87 -4.65 121.76 121.40 3cfy s ALA 97 Ca 0.00 1.18 0.21 0.00 0.00 0.00 0.00 51.96 53.34 3cfy s ALA 97 Cb 0.00 -3.49 -0.27 0.00 0.00 0.00 0.00 23.12 19.36 3cfy s ALA 97 CO 0.00 -0.98 0.64 -1.91 0.00 0.00 0.00 175.76 173.51 3cfy n GLU 98 N -0.50 0.49 -3.57 0.00 2.13 0.14 -4.53 120.64 114.81 3cfy n GLU 98 Ca 0.07 -0.10 -0.09 0.00 0.66 0.00 0.00 57.16 57.70 3cfy n GLU 98 Cb 0.45 -1.48 -0.02 0.00 0.27 0.00 0.00 31.44 30.67 3cfy n GLU 98 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3cfy s ASP 99 N -3.70 -0.39 -0.31 4.31 -1.08 -1.23 -4.99 116.67 109.28 3cfy s ASP 99 Ca -0.01 -0.17 -0.03 0.00 -0.52 0.00 0.00 52.55 51.83 3cfy s ASP 99 Cb 0.14 0.54 0.11 0.00 -1.46 0.00 0.00 42.92 42.26 3cfy s ASP 99 CO 0.85 -0.92 0.16 0.12 0.52 0.00 0.00 175.17 175.90 3cfy s PHE 100 N -3.52 0.46 0.18 -5.34 5.36 -1.26 -0.72 117.98 113.14 3cfy s PHE 100 Ca 0.06 -1.14 -0.16 0.00 -0.96 0.00 0.00 56.93 54.72 3cfy s PHE 100 Cb -0.02 -0.90 -0.07 0.00 -0.34 0.00 0.00 43.02 41.68 3cfy s PHE 100 CO -0.06 -0.83 0.62 -0.51 -1.46 0.00 0.00 175.22 172.98 3cfy s LEU 101 N 1.73 4.33 -0.18 6.12 1.43 0.24 -4.96 118.68 127.40 3cfy s LEU 101 Ca 0.12 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.40 3cfy s LEU 101 Cb -0.19 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3cfy s LEU 101 CO -0.23 0.07 -0.03 -0.70 0.23 0.00 0.00 176.35 175.69 3cfy s GLU 102 N -2.00 3.61 0.23 1.70 2.12 -1.26 -2.81 118.70 120.29 3cfy s GLU 102 Ca 0.40 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.90 3cfy s GLU 102 Cb -0.15 -2.98 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 3cfy s GLU 102 CO 0.20 0.10 1.32 0.15 -0.54 0.00 0.00 175.26 176.48 3cfy s LYS 103 N 0.74 4.38 0.33 4.30 1.02 -0.73 -3.83 119.74 125.94 3cfy s LYS 103 Ca -0.01 2.10 -0.26 0.00 0.02 0.00 0.00 55.97 57.82 3cfy s LYS 103 Cb -0.14 -3.16 -0.10 0.00 -0.52 0.00 0.00 37.83 33.91 3cfy s LYS 103 CO 0.02 -0.24 0.95 -1.25 -0.92 0.00 0.00 175.35 173.91 3cfy s PRO 104 N -0.53 4.56 -0.12 -1.68 0.04 -1.26 -4.86 135.00 131.16 3cfy s PRO 104 Ca 0.55 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 3cfy s PRO 104 Cb -0.38 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 3cfy s PRO 104 CO 0.42 0.26 0.05 0.42 0.04 0.00 0.00 177.00 178.19 3cfy s ILE 105 N -1.63 4.74 0.83 0.56 1.01 -1.25 -5.10 121.20 120.35 3cfy s ILE 105 Ca 0.51 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.98 3cfy s ILE 105 Cb -0.18 -3.05 0.09 0.00 0.01 0.00 0.00 42.46 39.32 3cfy s ILE 105 CO 0.24 0.57 1.10 0.20 0.00 0.00 0.00 174.94 177.05 3cfy s ASN 106 N -0.61 4.01 0.14 3.58 -0.87 -1.26 -4.94 114.94 114.99 3cfy s ASN 106 Ca 0.11 1.77 -0.18 0.00 -1.57 0.00 0.00 52.86 52.99 3cfy s ASN 106 Cb -0.12 -2.43 -0.00 0.00 -0.02 0.00 0.00 41.25 38.67 3cfy s ASN 106 CO 0.02 -2.34 1.77 0.00 -2.57 0.00 0.00 177.10 173.98 3cfy h ALA 107 N -1.34 0.34 -0.02 0.60 0.00 -1.99 -3.03 119.26 113.82 3cfy h ALA 107 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3cfy h ALA 107 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3cfy h ALA 107 CO 0.51 -0.26 -0.00 -0.25 0.00 0.00 0.00 179.25 179.25 3cfy n ASP 108 N -4.98 1.99 -0.02 0.00 8.00 -1.26 -2.23 116.55 118.05 3cfy n ASP 108 Ca -0.01 -1.66 -0.16 0.00 0.71 0.00 0.00 54.79 53.67 3cfy n ASP 108 Cb 0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 3cfy n ASP 108 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3cfy h ARG 109 N 3.11 0.16 -0.11 -1.24 2.47 -1.91 -2.87 114.38 113.98 3cfy h ARG 109 Ca 0.00 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 3cfy h ARG 109 Cb 0.66 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 3cfy h ARG 109 CO 0.00 1.06 -0.05 1.25 0.56 0.00 0.00 179.97 182.79 3cfy h LEU 110 N -0.63 0.24 -0.75 3.04 5.85 -1.62 -2.40 115.31 119.05 3cfy h LEU 110 Ca -0.06 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.31 3cfy h LEU 110 Cb 1.22 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3cfy h LEU 110 CO 0.07 0.59 0.45 0.50 -0.34 0.00 0.00 178.44 179.71 3cfy h LYS 111 N -0.11 0.82 0.12 1.25 3.64 -1.60 -0.63 116.57 120.06 3cfy h LYS 111 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3cfy h LYS 111 Cb 0.50 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3cfy h LYS 111 CO 0.02 0.54 -0.06 1.15 -2.27 0.00 0.00 179.45 178.83 3cfy h THR 112 N 0.85 1.04 -0.62 1.00 2.02 -1.55 -2.80 112.91 112.85 3cfy h THR 112 Ca 0.32 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3cfy h THR 112 Cb 0.13 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3cfy h THR 112 CO -0.16 0.16 0.41 -1.28 0.37 0.00 0.00 175.52 175.02 3cfy h SER 113 N -0.46 0.70 -0.28 4.18 0.87 -1.14 -0.06 113.55 117.36 3cfy h SER 113 Ca -0.02 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3cfy h SER 113 Cb 0.38 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3cfy h SER 113 CO 0.03 0.50 0.14 0.58 -0.53 0.00 0.00 176.83 177.55 3cfy h VAL 114 N 0.83 1.14 -0.60 2.23 2.07 -1.21 -2.22 116.25 118.49 3cfy h VAL 114 Ca 0.23 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3cfy h VAL 114 Cb -0.08 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3cfy h VAL 114 CO -0.06 0.14 0.06 0.00 0.02 0.00 0.00 177.57 177.73 3cfy h ALA 115 N 1.01 0.96 -0.06 1.67 0.00 -1.20 -1.61 119.26 120.03 3cfy h ALA 115 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3cfy h ALA 115 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3cfy h ALA 115 CO -0.01 0.64 0.01 1.25 0.00 0.00 0.00 179.25 181.14 3cfy h LEU 116 N 0.94 0.10 -0.33 0.00 5.85 -0.92 -1.97 115.31 118.98 3cfy h LEU 116 Ca 0.18 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3cfy h LEU 116 Cb 0.47 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3cfy h LEU 116 CO 0.02 0.32 -0.24 0.45 -0.34 0.00 0.00 178.44 178.66 3cfy h HIS 117 N -0.14 0.00 -0.48 1.25 3.86 -1.37 -2.22 115.15 116.05 3cfy h HIS 117 Ca 0.02 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 3cfy h HIS 117 Cb 0.27 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3cfy h HIS 117 CO 0.01 0.24 -0.13 1.25 0.86 0.00 0.00 177.93 180.16 3cfy h LEU 118 N 0.00 0.95 0.34 2.43 5.85 -1.31 -2.90 115.31 120.67 3cfy h LEU 118 Ca -0.00 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3cfy h LEU 118 Cb 1.06 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3cfy h LEU 118 CO 0.03 1.10 -0.16 0.11 -0.34 0.00 0.00 178.44 179.17 3cfy h LYS 119 N 0.79 -0.44 -0.61 1.25 1.57 -0.94 -0.82 116.57 117.37 3cfy h LYS 119 Ca 0.12 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3cfy h LYS 119 Cb 0.69 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 3cfy h LYS 119 CO 0.05 -0.27 0.31 0.00 -0.57 0.00 0.00 179.45 178.97 3cfy h ARG 120 N -0.49 0.55 -0.45 3.15 -0.00 -1.50 0.78 114.38 116.42 3cfy h ARG 120 Ca -0.05 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.98 59.28 3cfy h ARG 120 Cb 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.20 3cfy h ARG 120 CO 0.08 0.36 -0.19 0.00 0.00 0.00 0.00 179.97 180.22 3cfy h ALA 121 N 1.34 0.82 -0.30 0.04 0.00 -1.51 -2.36 119.26 117.29 3cfy h ALA 121 Ca 0.28 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3cfy h ALA 121 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3cfy h ALA 121 CO -0.20 0.65 -0.08 -0.22 0.00 0.00 0.00 179.25 179.39 3cfy h LYS 122 N 0.77 0.60 -0.56 0.00 1.63 -0.65 -2.21 116.57 116.13 3cfy h LYS 122 Ca 0.11 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.64 3cfy h LYS 122 Cb 0.73 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 3cfy h LYS 122 CO 0.06 0.79 0.20 1.25 -3.45 0.00 0.00 179.45 178.30 3cfy h LEU 123 N 0.36 0.76 -0.34 5.20 6.46 -0.80 -1.78 115.31 125.18 3cfy h LEU 123 Ca 0.08 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3cfy h LEU 123 Cb 0.58 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 3cfy h LEU 123 CO 0.03 0.70 -0.08 -0.33 -0.62 0.00 0.00 178.44 178.14 3cfy h GLU 124 N 0.81 0.00 -0.00 1.25 5.08 -1.42 -3.30 114.58 117.01 3cfy h GLU 124 Ca 0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3cfy h GLU 124 Cb 0.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3cfy h GLU 124 CO -0.01 0.08 -0.29 0.22 -1.00 0.00 0.00 179.01 178.01 3cfy h ASP 125 N 0.00 0.26 0.00 1.42 -0.00 -0.70 -3.36 116.42 114.05 3cfy h ASP 125 Ca -0.00 -0.77 0.00 0.00 -0.00 0.00 0.00 57.03 56.26 3cfy h ASP 125 Cb 0.95 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.20 3cfy h ASP 125 CO 0.01 1.00 0.00 0.00 -0.00 0.00 0.00 179.24 180.25 3cfy n LEU 126 N -4.47 0.00 0.02 2.28 -0.00 -0.76 -1.99 117.00 112.07 3cfy n LEU 126 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.90 3cfy n LEU 126 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 3cfy n LEU 126 CO 0.40 0.00 -0.40 1.33 -0.00 0.00 0.00 177.39 178.72 3cfy n VAL 127 N -0.98 1.17 -2.78 1.47 0.24 -1.25 -4.42 118.33 111.76 3cfy n VAL 127 Ca 0.17 -0.70 -0.33 0.00 -2.04 0.00 0.00 64.34 61.44 3cfy n VAL 127 Cb 0.08 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 31.74 3cfy n VAL 127 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3cfy n GLU 128 N -2.85 4.20 -3.64 7.34 4.71 -0.84 -4.99 120.64 124.55 3cfy n GLU 128 Ca -0.12 -4.75 -0.07 0.00 -0.01 0.00 0.00 57.16 52.21 3cfy n GLU 128 Cb 0.86 -2.34 -0.07 0.00 -1.01 0.00 0.00 31.44 28.89 3cfy n GLU 128 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3cfy s GLY 129 N -2.52 -0.15 0.00 0.62 0.00 -1.25 -5.02 107.32 99.00 3cfy s GLY 129 Ca 0.45 2.79 0.00 0.00 0.00 0.00 0.00 44.72 47.95 3cfy s GLY 129 CO -0.14 2.11 0.00 -2.39 0.00 0.00 0.00 173.10 172.68