#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n HIS 3 N 0.00 -2.03 0.00 7.33 8.25 -1.26 -4.93 115.22 122.58 3cf5 n HIS 3 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 3cf5 n HIS 3 Cb 0.00 0.92 0.00 0.00 1.12 0.00 0.00 29.99 32.03 3cf5 n HIS 3 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3cf5 n TYR 4 N -2.49 0.00 -2.31 4.41 4.01 -1.26 -4.54 117.16 114.97 3cf5 n TYR 4 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3cf5 n TYR 4 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3cf5 n TYR 4 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3cf5 n ASP 5 N -0.50 0.00 0.00 7.72 3.85 -1.26 -4.78 116.55 121.58 3cf5 n ASP 5 Ca 0.00 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.26 3cf5 n ASP 5 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3cf5 n ASP 5 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3cf5 n ILE 6 N -1.03 0.00 -1.55 2.12 5.41 -1.26 -4.85 119.36 118.20 3cf5 n ILE 6 Ca 0.00 0.00 -0.52 0.00 1.00 0.00 0.00 62.75 63.23 3cf5 n ILE 6 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 3cf5 n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cf5 n LEU 7 N 0.00 1.08 0.00 1.39 -0.00 -1.26 -3.06 117.00 115.15 3cf5 n LEU 7 Ca 0.00 1.14 -0.21 0.00 -0.00 0.00 0.00 56.01 56.94 3cf5 n LEU 7 Cb 0.00 -1.13 -0.14 0.00 -0.00 0.00 0.00 43.42 42.15 3cf5 n LEU 7 CO 0.00 -1.45 -0.39 -0.61 -0.00 0.00 0.00 177.39 174.94 3cf5 h GLN 8 N 3.53 0.23 0.00 1.47 5.75 0.12 -3.47 115.11 122.74 3cf5 h GLN 8 Ca -0.45 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 57.66 3cf5 h GLN 8 Cb 1.36 0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.06 3cf5 h GLN 8 CO 0.71 1.18 0.00 0.00 -2.65 0.00 0.00 178.83 178.07 3cf5 n ALA 9 N -2.97 0.00 -2.42 3.38 0.00 -1.16 -5.02 120.51 112.33 3cf5 n ALA 9 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 3cf5 n ALA 9 Cb 0.87 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.29 3cf5 n ALA 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cf5 s PRO 10 N -1.77 3.70 -0.19 0.00 0.04 -1.26 -1.55 135.00 133.96 3cf5 s PRO 10 Ca 0.00 0.17 -0.22 0.00 0.04 0.00 0.00 61.00 60.99 3cf5 s PRO 10 Cb 0.00 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 3cf5 s PRO 10 CO 0.00 0.16 0.67 0.08 0.04 0.00 0.00 177.00 177.95 3cf5 s VAL 11 N -2.12 4.99 0.00 -0.36 1.01 -0.98 -4.76 120.40 118.19 3cf5 s VAL 11 Ca 0.46 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3cf5 s VAL 11 Cb -0.11 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.29 3cf5 s VAL 11 CO 0.29 0.10 0.00 2.30 0.00 0.00 0.00 175.10 177.79 3cf5 n ILE 12 N 4.68 0.00 -1.11 2.22 -0.00 -1.26 -4.72 119.36 119.17 3cf5 n ILE 12 Ca -0.00 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.88 3cf5 n ILE 12 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.09 3cf5 n ILE 12 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3cf5 n SER 13 N 0.00 -5.88 -0.07 7.28 3.41 -1.26 -3.77 113.62 113.32 3cf5 n SER 13 Ca 0.00 0.63 -0.11 0.00 -0.26 0.00 0.00 58.87 59.13 3cf5 n SER 13 Cb 0.00 -3.56 -0.08 0.00 -0.26 0.00 0.00 64.21 60.31 3cf5 n SER 13 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3cf5 h GLU 14 N -1.20 0.00 -0.92 4.33 4.11 -1.99 -3.22 114.58 115.70 3cf5 h GLU 14 Ca -0.04 0.00 0.25 0.00 0.07 0.00 0.00 59.36 59.64 3cf5 h GLU 14 Cb 1.25 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 3cf5 h GLU 14 CO 0.03 0.61 0.38 0.87 0.07 0.00 0.00 179.01 180.97 3cf5 h LYS 15 N -1.00 0.30 0.55 1.06 6.56 -1.97 0.34 116.57 122.42 3cf5 h LYS 15 Ca -0.09 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.45 3cf5 h LYS 15 Cb 0.77 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.37 3cf5 h LYS 15 CO -0.06 0.20 -0.27 0.00 -2.06 0.00 0.00 179.45 177.27 3cf5 h ALA 16 N 1.78 -1.01 -0.33 3.86 0.00 -1.72 -2.78 119.26 119.05 3cf5 h ALA 16 Ca 0.61 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.38 3cf5 h ALA 16 Cb 1.25 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 3cf5 h ALA 16 CO -0.60 -0.95 -0.21 -0.92 0.00 0.00 0.00 179.25 176.57 3cf5 h TYR 17 N -0.88 -0.68 0.00 0.00 3.20 -0.93 0.89 116.97 118.57 3cf5 h TYR 17 Ca -0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3cf5 h TYR 17 Cb 0.57 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.18 3cf5 h TYR 17 CO 0.06 -0.14 0.00 -1.13 -1.64 0.00 0.00 178.16 175.31 3cf5 n SER 18 N -3.79 0.00 -0.01 -2.11 3.41 0.98 0.94 113.62 113.04 3cf5 n SER 18 Ca 0.00 -0.10 0.05 0.00 -0.26 0.00 0.00 58.87 58.56 3cf5 n SER 18 Cb 0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 3cf5 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cf5 n ALA 19 N -0.93 2.36 0.01 7.33 0.00 0.28 -4.22 120.51 125.34 3cf5 n ALA 19 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.07 3cf5 n ALA 19 Cb 0.01 -0.37 0.24 0.00 0.00 0.00 0.00 19.45 19.33 3cf5 n ALA 19 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3cf5 h MET 20 N 0.00 0.50 -0.97 0.00 -1.53 0.36 -2.49 114.93 110.80 3cf5 h MET 20 Ca -0.05 -0.15 0.13 0.00 -3.44 0.00 0.00 59.70 56.19 3cf5 h MET 20 Cb 0.75 -0.05 -0.09 0.00 -0.55 0.00 0.00 31.60 31.66 3cf5 h MET 20 CO 0.00 0.64 0.59 0.93 0.14 0.00 0.00 176.91 179.22 3cf5 h GLU 21 N 0.46 0.87 -0.89 0.39 5.08 -1.67 1.04 114.58 119.86 3cf5 h GLU 21 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3cf5 h GLU 21 Cb 0.53 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3cf5 h GLU 21 CO 0.03 0.57 0.00 2.89 -1.00 0.00 0.00 179.01 181.51 3cf5 n ARG 22 N -4.69 0.86 -2.78 2.33 1.85 -0.95 -4.75 116.66 108.53 3cf5 n ARG 22 Ca 0.19 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.90 3cf5 n ARG 22 Cb 0.40 -1.39 0.03 0.00 -1.05 0.00 0.00 32.46 30.44 3cf5 n ARG 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cf5 n GLY 23 N 0.12 -0.07 3.03 2.89 0.00 0.36 -5.02 105.19 106.50 3cf5 n GLY 23 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3cf5 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf5 s VAL 24 N -2.96 1.63 0.33 1.61 1.01 -1.03 -4.23 120.40 116.76 3cf5 s VAL 24 Ca 0.21 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3cf5 s VAL 24 Cb -0.09 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3cf5 s VAL 24 CO 0.26 0.45 0.47 -0.31 0.00 0.00 0.00 175.10 175.96 3cf5 s TYR 25 N 1.46 3.18 -0.22 5.22 2.02 -1.10 -2.70 117.35 125.21 3cf5 s TYR 25 Ca 0.05 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.48 3cf5 s TYR 25 Cb -0.13 -1.95 0.08 0.00 -0.40 0.00 0.00 41.96 39.56 3cf5 s TYR 25 CO -0.11 0.04 0.52 -1.54 -1.57 0.00 0.00 175.55 172.90 3cf5 s SER 26 N -4.14 -0.67 0.30 2.29 1.04 -1.26 -1.44 113.70 109.82 3cf5 s SER 26 Ca 0.43 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 58.01 3cf5 s SER 26 Cb -0.09 1.21 -0.01 0.00 0.10 0.00 0.00 66.02 67.23 3cf5 s SER 26 CO 0.31 -0.22 0.40 0.72 0.98 0.00 0.00 173.24 175.43 3cf5 s PHE 27 N 1.82 1.04 -0.26 5.02 -0.12 -0.17 -2.31 117.98 123.01 3cf5 s PHE 27 Ca -0.08 -1.25 -0.14 0.00 -0.05 0.00 0.00 56.93 55.41 3cf5 s PHE 27 Cb -0.08 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 3cf5 s PHE 27 CO -0.16 -1.00 0.32 -1.58 -0.05 0.00 0.00 175.22 172.75 3cf5 s TRP 28 N -3.44 3.27 0.25 3.49 0.52 -0.60 0.82 118.94 123.25 3cf5 s TRP 28 Ca 0.32 0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.84 3cf5 s TRP 28 Cb 0.01 -2.49 0.04 0.00 -1.15 0.00 0.00 33.47 29.88 3cf5 s TRP 28 CO 0.18 -0.14 0.32 1.33 0.02 0.00 0.00 176.95 178.66 3cf5 n VAL 29 N 4.86 0.00 -2.29 4.03 0.24 -1.07 0.15 118.33 124.26 3cf5 n VAL 29 Ca -0.10 -0.87 -0.34 0.00 -2.04 0.00 0.00 64.34 60.98 3cf5 n VAL 29 Cb 0.51 -0.68 -0.00 0.00 -1.47 0.00 0.00 33.84 32.19 3cf5 n VAL 29 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3cf5 s SER 30 N -2.55 5.86 0.06 -1.34 0.01 -1.17 -4.19 113.70 110.38 3cf5 s SER 30 Ca 0.24 2.06 -0.26 0.00 1.31 0.00 0.00 55.95 59.30 3cf5 s SER 30 Cb -0.02 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.51 3cf5 s SER 30 CO 0.15 -1.12 1.39 -0.65 0.41 0.00 0.00 173.24 173.43 3cf5 h PRO 31 N 1.15 -0.75 -6.80 12.44 0.11 -1.91 -3.38 132.00 132.87 3cf5 h PRO 31 Ca -0.49 0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 3cf5 h PRO 31 Cb 1.24 0.17 0.04 0.00 0.11 0.00 0.00 31.00 32.56 3cf5 h PRO 31 CO 0.57 -0.50 0.56 0.15 -0.21 0.00 0.00 178.00 178.58 3cf5 s LYS 32 N -5.03 4.49 0.00 1.05 1.02 -1.26 -4.83 119.74 115.19 3cf5 s LYS 32 Ca -0.13 1.99 0.00 0.00 0.02 0.00 0.00 55.97 57.85 3cf5 s LYS 32 Cb 0.03 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3cf5 s LYS 32 CO 0.42 -0.02 0.00 0.00 -0.92 0.00 0.00 175.35 174.84 3cf5 n ALA 33 N 1.35 0.00 -0.83 5.17 0.00 -1.26 -5.11 120.51 119.83 3cf5 n ALA 33 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 3cf5 n ALA 33 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 3cf5 n ALA 33 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cf5 n THR 34 N 0.00 1.08 -0.36 0.00 -2.24 -1.26 -4.34 114.28 107.16 3cf5 n THR 34 Ca 0.00 -0.27 0.28 0.00 -2.27 0.00 0.00 64.05 61.79 3cf5 n THR 34 Cb 0.00 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 68.80 3cf5 n THR 34 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3cf5 h LYS 35 N 0.69 0.27 0.35 -0.78 3.64 -1.98 -0.62 116.57 118.14 3cf5 h LYS 35 Ca -0.18 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3cf5 h LYS 35 Cb 0.85 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 3cf5 h LYS 35 CO 0.34 0.18 -0.17 1.79 -2.27 0.00 0.00 179.45 179.32 3cf5 h THR 36 N 0.28 0.58 -0.80 1.00 1.35 -1.98 0.32 112.91 113.66 3cf5 h THR 36 Ca 0.65 -0.60 0.19 0.00 -0.55 0.00 0.00 66.41 66.11 3cf5 h THR 36 Cb 1.86 0.85 -0.14 0.00 -1.73 0.00 0.00 68.15 68.99 3cf5 h THR 36 CO -0.31 0.10 0.03 -0.33 -0.25 0.00 0.00 175.52 174.77 3cf5 h GLU 37 N -0.84 0.10 0.00 4.72 3.07 -1.43 1.63 114.58 121.83 3cf5 h GLU 37 Ca -0.05 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3cf5 h GLU 37 Cb 0.53 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3cf5 h GLU 37 CO 0.08 0.07 -0.03 0.97 -1.40 0.00 0.00 179.01 178.70 3cf5 h ILE 38 N 0.11 0.08 0.07 3.13 2.10 -1.15 -1.91 117.51 119.93 3cf5 h ILE 38 Ca 0.45 -0.59 -0.10 0.00 1.08 0.00 0.00 64.86 65.70 3cf5 h ILE 38 Cb 0.82 1.54 0.01 0.00 -1.09 0.00 0.00 36.82 38.11 3cf5 h ILE 38 CO -0.70 0.03 -0.43 0.50 -1.08 0.00 0.00 178.15 176.47 3cf5 h LYS 39 N 0.00 0.17 0.00 2.19 3.64 0.60 -3.26 116.57 119.92 3cf5 h LYS 39 Ca -0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3cf5 h LYS 39 Cb 0.54 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3cf5 h LYS 39 CO 0.00 1.11 0.00 -3.47 -2.27 0.00 0.00 179.45 174.82 3cf5 n ASP 40 N -4.36 0.00 0.00 4.20 2.03 0.24 -2.92 116.55 115.74 3cf5 n ASP 40 Ca -0.12 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.34 3cf5 n ASP 40 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 3cf5 n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cf5 n ALA 41 N -2.30 0.00 -0.08 -1.67 0.00 -0.74 0.12 120.51 115.84 3cf5 n ALA 41 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3cf5 n ALA 41 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3cf5 n ALA 41 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3cf5 n ILE 42 N -0.13 -0.13 -0.00 0.00 0.13 -1.23 -0.40 119.36 117.60 3cf5 n ILE 42 Ca 0.00 0.71 -0.00 0.00 -1.10 0.00 0.00 62.75 62.36 3cf5 n ILE 42 Cb 0.00 -0.90 -0.00 0.00 -0.84 0.00 0.00 39.64 37.89 3cf5 n ILE 42 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3cf5 n GLN 43 N -3.45 -0.01 -0.11 9.51 6.02 0.12 -0.95 117.38 128.51 3cf5 n GLN 43 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 3cf5 n GLN 43 Cb 0.05 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.07 3cf5 n GLN 43 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3cf5 n GLN 44 N -2.85 0.40 0.00 -1.09 1.13 0.46 0.17 117.38 115.60 3cf5 n GLN 44 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3cf5 n GLN 44 Cb 0.00 -1.30 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3cf5 n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cf5 n ALA 45 N 1.32 0.21 -1.24 -1.58 0.00 -0.12 -4.71 120.51 114.39 3cf5 n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 45 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3cf5 n ALA 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3cf5 n PHE 46 N -0.12 0.00 -3.23 0.00 3.01 -0.75 -5.06 117.46 111.31 3cf5 n PHE 46 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 3cf5 n PHE 46 Cb 0.00 0.02 0.03 0.00 -0.01 0.00 0.00 39.48 39.52 3cf5 n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cf5 n GLY 47 N 0.00 -0.49 3.63 1.37 0.00 0.45 -4.72 105.19 105.42 3cf5 n GLY 47 Ca 0.00 1.20 -0.07 0.00 0.00 0.00 0.00 46.02 47.15 3cf5 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 s VAL 48 N -1.99 0.00 0.77 1.61 0.11 -0.98 -4.99 120.40 114.93 3cf5 s VAL 48 Ca 0.32 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 3cf5 s VAL 48 Cb -0.05 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 3cf5 s VAL 48 CO 0.83 0.00 1.12 0.00 -3.33 0.00 0.00 175.10 173.72 3cf5 s ARG 49 N -0.24 2.30 -0.20 1.54 1.70 -1.26 -4.01 118.95 118.79 3cf5 s ARG 49 Ca 0.04 0.43 0.01 0.00 -0.47 0.00 0.00 55.73 55.75 3cf5 s ARG 49 Cb -0.04 -1.96 0.03 0.00 -0.57 0.00 0.00 34.95 32.42 3cf5 s ARG 49 CO -0.08 -1.42 -0.16 0.08 -1.08 0.00 0.00 175.30 172.65 3cf5 s VAL 50 N -3.33 1.95 0.01 4.99 1.01 -1.26 -3.42 120.40 120.34 3cf5 s VAL 50 Ca 0.60 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 3cf5 s VAL 50 Cb -0.12 -1.88 -0.16 0.00 0.00 0.00 0.00 36.38 34.21 3cf5 s VAL 50 CO 0.52 0.35 1.22 0.40 0.00 0.00 0.00 175.10 177.58 3cf5 h ILE 51 N 6.21 0.70 -3.49 2.22 2.04 0.11 -3.46 117.51 121.83 3cf5 h ILE 51 Ca -0.36 -0.62 -0.35 0.00 1.00 0.00 0.00 64.86 64.53 3cf5 h ILE 51 Cb 1.11 1.01 -0.16 0.00 -0.74 0.00 0.00 36.82 38.04 3cf5 h ILE 51 CO 0.56 0.12 -0.73 -0.83 0.00 0.00 0.00 178.15 177.27 3cf5 s GLY 52 N -2.75 1.03 0.42 5.37 0.00 -1.20 -5.02 107.32 105.17 3cf5 s GLY 52 Ca -0.14 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.24 3cf5 s GLY 52 CO 0.54 -1.46 0.14 -1.50 0.00 0.00 0.00 173.10 170.82 3cf5 s ILE 53 N -2.83 0.53 0.00 0.90 1.10 -1.26 -2.02 121.20 117.61 3cf5 s ILE 53 Ca 0.12 -2.00 0.00 0.00 -0.51 0.00 0.00 60.65 58.26 3cf5 s ILE 53 Cb -0.01 -2.31 0.00 0.00 0.15 0.00 0.00 42.46 40.30 3cf5 s ILE 53 CO 0.01 0.00 0.00 -1.54 -2.11 0.00 0.00 174.94 171.30 3cf5 n SER 54 N -1.40 0.00 -3.61 4.50 3.41 -1.08 -4.99 113.62 110.44 3cf5 n SER 54 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.55 3cf5 n SER 54 Cb 0.65 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.58 3cf5 n SER 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cf5 s THR 55 N -1.50 0.00 -0.07 6.66 -1.32 -1.26 -1.27 115.64 116.88 3cf5 s THR 55 Ca 0.00 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.16 3cf5 s THR 55 Cb 0.00 -1.35 0.11 0.00 -1.51 0.00 0.00 72.50 69.75 3cf5 s THR 55 CO 0.00 0.00 0.90 -0.04 -2.21 0.00 0.00 174.62 173.27 3cf5 s MET 56 N -2.11 0.76 0.61 7.08 -1.94 -1.24 -5.07 119.30 117.39 3cf5 s MET 56 Ca 0.13 -0.06 -0.13 0.00 -1.71 0.00 0.00 55.69 53.92 3cf5 s MET 56 Cb 0.02 0.35 -0.04 0.00 2.01 0.00 0.00 34.83 37.17 3cf5 s MET 56 CO -0.04 -0.29 1.03 -0.80 -0.01 0.00 0.00 175.02 174.91 3cf5 s ASN 57 N -1.78 6.07 -0.08 3.03 0.01 -1.26 -4.05 114.94 116.87 3cf5 s ASN 57 Ca 0.00 1.56 -0.05 0.00 -0.71 0.00 0.00 52.86 53.67 3cf5 s ASN 57 Cb -0.01 -2.50 0.04 0.00 0.41 0.00 0.00 41.25 39.20 3cf5 s ASN 57 CO -0.03 -0.97 0.20 -0.69 -1.51 0.00 0.00 177.10 174.10 3cf5 s VAL 58 N -2.90 -0.04 0.00 1.60 1.01 -1.04 -4.97 120.40 114.07 3cf5 s VAL 58 Ca 0.58 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3cf5 s VAL 58 Cb -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 35.95 3cf5 s VAL 58 CO 0.46 0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.80 3cf5 n PRO 59 N 4.02 1.10 0.15 2.72 -0.04 -1.26 0.27 135.00 141.96 3cf5 n PRO 59 Ca -0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 3cf5 n PRO 59 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 3cf5 n PRO 59 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cf5 n GLY 60 N 5.00 -1.05 1.65 0.55 0.00 -1.26 -4.39 105.19 105.69 3cf5 n GLY 60 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3cf5 n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cf5 n LYS 61 N -3.21 -0.39 0.00 1.61 4.81 -0.78 -4.89 118.16 115.31 3cf5 n LYS 61 Ca 0.00 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 3cf5 n LYS 61 Cb 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 35.03 34.54 3cf5 n LYS 61 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 3cf5 n ARG 62 N 0.31 2.45 -0.56 1.64 1.85 -1.24 -4.76 116.66 116.35 3cf5 n ARG 62 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3cf5 n ARG 62 Cb 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 3cf5 n ARG 62 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3cf5 n LYS 63 N 0.00 -0.51 0.00 2.89 2.85 -1.26 -1.73 118.16 120.40 3cf5 n LYS 63 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3cf5 n LYS 63 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3cf5 n LYS 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3cf5 n ARG 64 N -1.51 0.00 -0.39 -1.58 1.74 -1.26 -5.07 116.66 108.59 3cf5 n ARG 64 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3cf5 n ARG 64 Cb 0.00 -0.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 3cf5 n ARG 64 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3cf5 n VAL 65 N -2.56 0.00 -1.09 1.55 0.31 -1.26 -5.11 118.33 110.18 3cf5 n VAL 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3cf5 n VAL 65 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3cf5 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cf5 n GLY 66 N 0.00 -3.59 2.06 2.92 0.00 -1.26 -4.35 105.19 100.97 3cf5 n GLY 66 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3cf5 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 n ARG 67 N 0.35 0.00 -1.16 1.61 1.74 -1.26 -3.76 116.66 114.18 3cf5 n ARG 67 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3cf5 n ARG 67 Cb 0.00 -0.85 0.15 0.00 -1.02 0.00 0.00 32.46 30.74 3cf5 n ARG 67 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3cf5 n PHE 68 N 1.43 1.99 0.00 -1.55 3.72 -1.26 -5.05 117.46 116.75 3cf5 n PHE 68 Ca 0.00 -1.98 0.00 0.00 -0.05 0.00 0.00 57.45 55.42 3cf5 n PHE 68 Cb 0.00 -0.69 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 3cf5 n PHE 68 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3cf5 n ILE 69 N -1.03 0.00 -0.88 4.37 -6.64 -1.25 -4.85 119.36 109.08 3cf5 n ILE 69 Ca 0.44 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.42 3cf5 n ILE 69 Cb 1.06 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 39.26 3cf5 n ILE 69 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 3cf5 n GLY 70 N 0.00 4.47 3.60 3.28 0.00 -0.71 -4.19 105.19 111.64 3cf5 n GLY 70 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 3cf5 n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cf5 s GLN 71 N 3.19 0.38 1.17 1.61 0.74 -1.26 -4.85 119.66 120.63 3cf5 s GLN 71 Ca 0.00 0.02 -0.16 0.00 0.05 0.00 0.00 55.36 55.27 3cf5 s GLN 71 Cb 0.00 0.18 0.27 0.00 1.10 0.00 0.00 33.01 34.56 3cf5 s GLN 71 CO 0.00 -0.13 1.06 1.03 -0.55 0.00 0.00 175.29 176.69 3cf5 s ARG 72 N -1.48 -0.95 0.00 1.67 1.81 -1.26 -1.87 118.95 116.87 3cf5 s ARG 72 Ca 0.04 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 3cf5 s ARG 72 Cb -0.01 -1.59 0.00 0.00 -0.45 0.00 0.00 34.95 32.90 3cf5 s ARG 72 CO -0.03 -3.61 0.15 0.09 -0.68 0.00 0.00 175.30 171.21 3cf5 n ASN 73 N -4.76 0.00 0.00 0.23 3.02 -1.26 -4.61 115.26 107.88 3cf5 n ASN 73 Ca 0.08 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3cf5 n ASN 73 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 3cf5 n ASN 73 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3cf5 n ASP 74 N 0.00 0.00 -1.07 6.41 8.00 -1.26 -4.91 116.55 123.72 3cf5 n ASP 74 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3cf5 n ASP 74 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3cf5 n ASP 74 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cf5 n ARG 75 N 0.55 2.49 -2.72 -1.24 1.74 0.77 -4.92 116.66 113.33 3cf5 n ARG 75 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3cf5 n ARG 75 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 3cf5 n ARG 75 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3cf5 n LYS 76 N -0.24 0.74 -1.16 5.56 4.81 -1.26 -2.49 118.16 124.13 3cf5 n LYS 76 Ca 0.00 -1.58 -0.36 0.00 -0.87 0.00 0.00 58.31 55.50 3cf5 n LYS 76 Cb 0.00 -0.96 0.07 0.00 0.02 0.00 0.00 35.03 34.16 3cf5 n LYS 76 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3cf5 n LYS 77 N 0.86 0.16 -3.81 1.64 4.81 -1.26 -2.60 118.16 117.97 3cf5 n LYS 77 Ca 0.05 0.09 -0.11 0.00 -0.87 0.00 0.00 58.31 57.47 3cf5 n LYS 77 Cb 0.69 -1.74 -0.08 0.00 0.02 0.00 0.00 35.03 33.92 3cf5 n LYS 77 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3cf5 s ALA 78 N -2.01 -0.50 -0.02 3.14 0.00 0.24 -3.74 121.76 118.87 3cf5 s ALA 78 Ca 0.62 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.45 3cf5 s ALA 78 Cb -0.32 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.10 3cf5 s ALA 78 CO 0.62 -0.38 -0.08 0.42 0.00 0.00 0.00 175.76 176.33 3cf5 s ILE 79 N -2.54 0.73 0.11 0.00 1.01 -0.40 -1.00 121.20 119.10 3cf5 s ILE 79 Ca -0.05 -0.34 0.09 0.00 0.00 0.00 0.00 60.65 60.35 3cf5 s ILE 79 Cb -0.01 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 3cf5 s ILE 79 CO -0.04 0.23 -0.22 0.68 0.00 0.00 0.00 174.94 175.59 3cf5 s VAL 80 N 0.16 1.84 -0.34 2.92 -7.23 -0.52 -2.64 120.40 114.59 3cf5 s VAL 80 Ca -0.02 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 3cf5 s VAL 80 Cb -0.08 -1.66 0.09 0.00 0.56 0.00 0.00 36.38 35.29 3cf5 s VAL 80 CO 0.00 -0.01 0.05 -0.60 -0.31 0.00 0.00 175.10 174.23 3cf5 s ARG 81 N -1.91 1.83 0.90 4.82 3.52 -0.86 -2.70 118.95 124.55 3cf5 s ARG 81 Ca 0.08 -1.71 -0.15 0.00 -0.13 0.00 0.00 55.73 53.82 3cf5 s ARG 81 Cb -0.10 -3.24 0.22 0.00 -1.56 0.00 0.00 34.95 30.28 3cf5 s ARG 81 CO 0.05 -0.87 0.85 1.28 -0.81 0.00 0.00 175.30 175.80 3cf5 n LEU 82 N 4.40 0.00 0.00 -0.88 4.77 -1.26 0.15 117.00 124.18 3cf5 n LEU 82 Ca -0.02 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3cf5 n LEU 82 Cb 0.42 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3cf5 n LEU 82 CO 0.25 -1.77 0.00 0.00 -1.33 0.00 0.00 177.39 174.54 3cf5 n ALA 83 N -4.29 0.00 0.27 -1.18 0.00 -1.22 -4.30 120.51 109.79 3cf5 n ALA 83 Ca -0.16 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.42 3cf5 n ALA 83 Cb 0.44 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.62 3cf5 n ALA 83 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3cf5 h GLU 84 N 0.00 0.00 -5.79 0.00 4.57 -1.97 -3.26 114.58 108.14 3cf5 h GLU 84 Ca 0.00 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.73 3cf5 h GLU 84 Cb 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 3cf5 h GLU 84 CO 0.00 0.11 1.25 0.20 -1.18 0.00 0.00 179.01 179.38 3cf5 s GLY 85 N -4.20 0.70 0.00 1.92 0.00 -1.26 -4.88 107.32 99.60 3cf5 s GLY 85 Ca -0.02 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 42.63 3cf5 s GLY 85 CO 0.57 3.17 0.00 -1.06 0.00 0.00 0.00 173.10 175.78 3cf5 n GLN 86 N 8.67 1.45 -0.69 2.90 6.02 -1.23 -4.94 117.38 129.56 3cf5 n GLN 86 Ca 0.41 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 3cf5 n GLN 86 Cb 0.48 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 3cf5 n GLN 86 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3cf5 n SER 87 N 0.00 -2.05 -3.65 1.08 3.41 -1.26 -4.96 113.62 106.19 3cf5 n SER 87 Ca 0.00 0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.71 3cf5 n SER 87 Cb 0.00 -2.18 -0.13 0.00 -0.26 0.00 0.00 64.21 61.63 3cf5 n SER 87 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3cf5 s ILE 88 N -2.91 -0.41 0.00 -1.33 -5.25 -1.26 -5.05 121.20 104.99 3cf5 s ILE 88 Ca 0.00 0.26 0.00 0.00 -0.99 0.00 0.00 60.65 59.92 3cf5 s ILE 88 Cb 0.00 -0.45 0.00 0.00 2.95 0.00 0.00 42.46 44.96 3cf5 s ILE 88 CO 0.00 0.10 0.00 -0.62 -1.79 0.00 0.00 174.94 172.63 3cf5 n GLU 89 N 5.35 0.00 0.00 0.37 1.02 -1.26 -2.61 120.64 123.50 3cf5 n GLU 89 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 3cf5 n GLU 89 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 3cf5 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf5 n ALA 90 N 7.88 0.00 0.16 0.62 0.00 -1.26 -4.86 120.51 123.05 3cf5 n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cf5 n LEU 91 N 0.00 0.96 0.00 0.00 7.99 -1.07 -0.75 117.00 124.13 3cf5 n LEU 91 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 56.01 55.54 3cf5 n LEU 91 Cb 0.07 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 3cf5 n LEU 91 CO 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 177.39 176.05 3cf5 n ALA 92 N 1.13 2.67 -0.22 -1.18 0.00 -1.24 -4.75 120.51 116.92 3cf5 n ALA 92 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 3cf5 n ALA 92 Cb 0.13 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.87 3cf5 n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 93 N 3.62 -0.39 0.00 0.00 0.00 0.07 -5.07 105.19 103.42 3cf5 n GLY 93 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3cf5 n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26