#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 s ILE 4 N 0.00 0.10 -0.92 3.15 1.09 -1.26 -5.10 121.20 118.26 3df1 s ILE 4 Ca 0.00 -0.84 -0.07 0.00 -1.10 0.00 0.00 60.65 58.63 3df1 s ILE 4 Cb 0.00 -0.31 0.23 0.00 -1.06 0.00 0.00 42.46 41.32 3df1 s ILE 4 CO 0.00 -0.46 0.85 -0.13 -0.10 0.00 0.00 174.94 175.10 3df1 s ARG 5 N -1.44 3.59 0.37 2.79 0.52 -1.26 -5.04 118.95 118.47 3df1 s ARG 5 Ca -0.16 -2.97 -0.00 0.00 -0.52 0.00 0.00 55.73 52.08 3df1 s ARG 5 Cb -0.09 -4.25 0.07 0.00 0.52 0.00 0.00 34.95 31.20 3df1 s ARG 5 CO -0.00 -1.25 0.50 0.25 0.02 0.00 0.00 175.30 174.82 3df1 n THR 6 N 2.99 0.00 -3.64 0.02 -2.24 -1.26 -4.43 114.28 105.71 3df1 n THR 6 Ca 0.19 -0.79 -0.05 0.00 -2.27 0.00 0.00 64.05 61.13 3df1 n THR 6 Cb 0.40 -1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 67.43 3df1 n THR 6 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3df1 s LEU 7 N 0.00 -0.59 0.00 3.22 0.20 0.66 -4.92 118.68 117.25 3df1 s LEU 7 Ca 0.33 0.98 0.00 0.00 0.69 0.00 0.00 54.13 56.13 3df1 s LEU 7 Cb -0.02 1.91 0.00 0.00 -0.43 0.00 0.00 46.19 47.65 3df1 s LEU 7 CO 0.22 -0.16 0.00 0.00 -0.29 0.00 0.00 176.35 176.12 3df1 n GLN 8 N 3.53 -0.59 0.00 1.98 1.13 -1.26 -0.35 117.38 121.82 3df1 n GLN 8 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 3df1 n GLN 8 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 3df1 n GLN 8 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3df1 n GLY 9 N 3.31 4.07 3.64 1.08 0.00 -1.11 -4.71 105.19 111.47 3df1 n GLY 9 Ca 0.00 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 3df1 n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3df1 s ARG 10 N -2.76 2.87 -1.04 1.61 1.70 -0.50 -2.18 118.95 118.65 3df1 s ARG 10 Ca 0.00 -0.48 -0.23 0.00 -0.47 0.00 0.00 55.73 54.55 3df1 s ARG 10 Cb 0.00 -2.70 -0.04 0.00 -0.57 0.00 0.00 34.95 31.64 3df1 s ARG 10 CO 0.00 0.68 1.87 0.08 -1.08 0.00 0.00 175.30 176.85 3df1 s VAL 11 N -0.87 3.59 0.36 4.99 1.01 -0.99 -0.90 120.40 127.58 3df1 s VAL 11 Ca 0.13 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.48 3df1 s VAL 11 Cb -0.11 -4.41 0.13 0.00 0.00 0.00 0.00 36.38 31.99 3df1 s VAL 11 CO 0.02 -1.16 1.86 1.62 0.00 0.00 0.00 175.10 177.45 3df1 h VAL 12 N 6.72 1.21 -3.97 2.92 3.04 -1.75 -0.68 116.25 123.74 3df1 h VAL 12 Ca 0.18 -0.96 -0.36 0.00 -1.01 0.00 0.00 66.70 64.55 3df1 h VAL 12 Cb 0.97 1.29 -0.14 0.00 -2.01 0.00 0.00 31.29 31.40 3df1 h VAL 12 CO 1.26 0.30 -0.59 -0.55 -1.01 0.00 0.00 177.57 176.97 3df1 s SER 13 N -6.86 1.16 -0.34 3.17 0.15 -0.80 -4.82 113.70 105.36 3df1 s SER 13 Ca -0.05 -1.45 -0.03 0.00 0.70 0.00 0.00 55.95 55.11 3df1 s SER 13 Cb 0.15 0.28 0.26 0.00 -1.71 0.00 0.00 66.02 65.00 3df1 s SER 13 CO 0.75 -0.81 1.19 -0.67 1.20 0.00 0.00 173.24 174.89 3df1 n ASP 14 N -0.62 -1.40 -0.60 5.45 4.64 -1.26 -3.61 116.55 119.15 3df1 n ASP 14 Ca 0.01 -1.59 0.00 0.00 -1.38 0.00 0.00 54.79 51.83 3df1 n ASP 14 Cb 0.66 0.76 0.00 0.00 -1.04 0.00 0.00 41.12 41.49 3df1 n ASP 14 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3df1 n LYS 15 N 1.84 0.00 -4.32 -0.67 5.02 -1.26 -4.91 118.16 113.86 3df1 n LYS 15 Ca 0.05 -1.07 -0.19 0.00 -2.02 0.00 0.00 58.31 55.08 3df1 n LYS 15 Cb 0.69 -0.43 -0.13 0.00 -0.02 0.00 0.00 35.03 35.14 3df1 n LYS 15 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3df1 s MET 16 N 0.00 0.88 -0.36 1.97 -1.94 -1.22 -5.06 119.30 113.57 3df1 s MET 16 Ca 0.03 -0.74 -0.27 0.00 -1.71 0.00 0.00 55.69 53.00 3df1 s MET 16 Cb 0.04 -0.87 -0.05 0.00 2.01 0.00 0.00 34.83 35.97 3df1 s MET 16 CO -0.02 0.21 2.20 -1.21 -0.01 0.00 0.00 175.02 176.19 3df1 s GLU 17 N -1.15 2.77 0.00 2.03 2.02 -1.26 -1.85 118.70 121.26 3df1 s GLU 17 Ca 0.01 1.63 0.00 0.00 0.02 0.00 0.00 54.97 56.62 3df1 s GLU 17 Cb -0.08 -4.42 0.00 0.00 0.10 0.00 0.00 34.13 29.73 3df1 s GLU 17 CO 0.01 -2.52 0.00 1.63 0.02 0.00 0.00 175.26 174.40 3df1 n LYS 18 N 8.84 0.00 -3.57 1.61 5.02 -1.26 -4.95 118.16 123.86 3df1 n LYS 18 Ca 0.30 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.19 3df1 n LYS 18 Cb 0.49 -3.25 -0.10 0.00 -0.02 0.00 0.00 35.03 32.15 3df1 n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3df1 s SER 19 N -2.66 5.74 -0.19 4.39 0.01 -0.77 0.14 113.70 120.36 3df1 s SER 19 Ca 0.00 -1.35 -0.02 0.00 1.31 0.00 0.00 55.95 55.89 3df1 s SER 19 Cb 0.00 -2.03 -0.00 0.00 0.21 0.00 0.00 66.02 64.20 3df1 s SER 19 CO 0.00 -0.52 -0.10 -0.63 0.41 0.00 0.00 173.24 172.40 3df1 s ILE 20 N 1.49 3.00 0.22 1.44 1.09 -1.02 -3.37 121.20 124.05 3df1 s ILE 20 Ca 0.03 -0.63 -0.30 0.00 -1.10 0.00 0.00 60.65 58.64 3df1 s ILE 20 Cb -0.22 -2.32 -0.08 0.00 -1.06 0.00 0.00 42.46 38.77 3df1 s ILE 20 CO 0.04 0.47 0.98 -0.69 -0.10 0.00 0.00 174.94 175.65 3df1 s VAL 21 N 1.16 4.03 0.02 2.92 1.01 -1.24 -0.48 120.40 127.81 3df1 s VAL 21 Ca 0.01 1.95 0.03 0.00 0.00 0.00 0.00 61.98 63.98 3df1 s VAL 21 Cb -0.14 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3df1 s VAL 21 CO -0.03 0.43 -0.10 -0.69 0.00 0.00 0.00 175.10 174.71 3df1 s VAL 22 N -0.91 0.79 0.14 2.92 1.01 -0.52 -1.91 120.40 121.92 3df1 s VAL 22 Ca 0.43 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3df1 s VAL 22 Cb -0.27 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3df1 s VAL 22 CO 0.33 0.03 0.13 0.00 0.00 0.00 0.00 175.10 175.59 3df1 s ALA 23 N -0.62 3.59 -0.18 5.51 0.00 -0.08 -0.61 121.76 129.37 3df1 s ALA 23 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 3df1 s ALA 23 Cb -0.06 -1.41 0.09 0.00 0.00 0.00 0.00 23.12 21.74 3df1 s ALA 23 CO 0.00 0.57 0.25 0.42 0.00 0.00 0.00 175.76 177.00 3df1 s ILE 24 N -1.65 -0.38 0.80 0.00 1.01 0.10 -1.41 121.20 119.67 3df1 s ILE 24 Ca 0.31 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.88 3df1 s ILE 24 Cb -0.11 -0.60 0.08 0.00 0.01 0.00 0.00 42.46 41.84 3df1 s ILE 24 CO 0.23 -0.08 1.16 -1.61 0.00 0.00 0.00 174.94 174.64 3df1 s GLU 25 N 2.38 1.96 -0.28 2.79 2.02 -1.25 0.15 118.70 126.47 3df1 s GLU 25 Ca 0.06 0.04 -0.26 0.00 0.02 0.00 0.00 54.97 54.83 3df1 s GLU 25 Cb -0.14 -1.98 0.15 0.00 0.10 0.00 0.00 34.13 32.26 3df1 s GLU 25 CO -0.11 -1.56 1.20 -0.98 0.02 0.00 0.00 175.26 173.83 3df1 s ARG 26 N -5.54 0.32 0.47 1.61 1.70 0.33 -4.85 118.95 112.99 3df1 s ARG 26 Ca 0.62 0.33 -0.20 0.00 -0.47 0.00 0.00 55.73 56.01 3df1 s ARG 26 Cb -0.11 0.15 -0.09 0.00 -0.57 0.00 0.00 34.95 34.33 3df1 s ARG 26 CO 0.48 -0.05 0.98 -0.06 -1.08 0.00 0.00 175.30 175.58 3df1 s PHE 27 N -0.03 3.25 -0.29 5.89 0.40 -1.25 -0.61 117.98 125.34 3df1 s PHE 27 Ca 0.05 1.57 -0.17 0.00 -0.60 0.00 0.00 56.93 57.77 3df1 s PHE 27 Cb -0.04 -2.89 0.13 0.00 0.51 0.00 0.00 43.02 40.72 3df1 s PHE 27 CO -0.09 -0.37 0.91 0.54 0.70 0.00 0.00 175.22 176.91 3df1 s VAL 28 N -2.24 0.00 0.09 -0.44 0.11 -1.16 -4.92 120.40 111.84 3df1 s VAL 28 Ca 0.63 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.43 3df1 s VAL 28 Cb -0.11 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.67 3df1 s VAL 28 CO 0.19 0.00 0.76 -0.75 -3.33 0.00 0.00 175.10 171.98 3df1 s LYS 29 N 1.24 4.51 0.20 1.54 2.20 -1.26 -1.16 119.74 127.01 3df1 s LYS 29 Ca -0.07 1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 56.32 3df1 s LYS 29 Cb -0.04 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 3df1 s LYS 29 CO -0.15 0.40 1.33 -1.58 -0.36 0.00 0.00 175.35 174.99 3df1 s HIS 30 N -0.47 3.22 -1.61 4.03 5.65 -0.96 -4.86 115.29 120.30 3df1 s HIS 30 Ca 0.37 1.18 0.00 0.00 0.25 0.00 0.00 55.06 56.86 3df1 s HIS 30 Cb -0.21 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.55 3df1 s HIS 30 CO 0.24 -2.01 0.03 -0.35 -0.65 0.00 0.00 174.74 172.00 3df1 n PRO 31 N 2.66 0.04 0.00 2.88 -0.04 -1.26 -2.10 135.00 137.18 3df1 n PRO 31 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3df1 n PRO 31 Cb 0.42 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3df1 n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3df1 n ILE 32 N -0.12 0.00 0.00 0.52 3.06 -1.26 -4.97 119.36 116.60 3df1 n ILE 32 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3df1 n ILE 32 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 3df1 n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3df1 n TYR 33 N 0.00 0.00 0.00 9.51 0.53 -1.10 -5.04 117.16 121.06 3df1 n TYR 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3df1 n TYR 33 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.38 3df1 n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3df1 n GLY 34 N 1.67 1.68 0.61 2.72 0.00 -0.89 -4.85 105.19 106.14 3df1 n GLY 34 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3df1 n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df1 n LYS 35 N 0.00 0.00 -2.39 1.61 3.00 -1.26 -2.27 118.16 116.85 3df1 n LYS 35 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 3df1 n LYS 35 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 35.03 34.75 3df1 n LYS 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3df1 s PHE 36 N 0.87 2.84 0.43 5.64 0.40 -1.26 -3.30 117.98 123.61 3df1 s PHE 36 Ca 0.20 1.56 0.03 0.00 -0.60 0.00 0.00 56.93 58.13 3df1 s PHE 36 Cb -0.27 -3.20 -0.03 0.00 0.51 0.00 0.00 43.02 40.04 3df1 s PHE 36 CO 0.13 -1.22 0.08 0.42 0.70 0.00 0.00 175.22 175.32 3df1 s ILE 37 N -1.83 0.89 -0.64 0.64 1.01 -0.31 -4.88 121.20 116.07 3df1 s ILE 37 Ca 0.69 -2.00 0.01 0.00 0.00 0.00 0.00 60.65 59.35 3df1 s ILE 37 Cb -0.21 -2.37 0.16 0.00 0.01 0.00 0.00 42.46 40.05 3df1 s ILE 37 CO 0.25 0.00 0.44 -0.75 0.00 0.00 0.00 174.94 174.88 3df1 s LYS 38 N -3.78 2.48 0.04 2.79 2.20 -1.26 -2.98 119.74 119.24 3df1 s LYS 38 Ca 0.20 -2.79 -0.26 0.00 -0.36 0.00 0.00 55.97 52.76 3df1 s LYS 38 Cb 0.03 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 3df1 s LYS 38 CO 0.11 -1.18 0.81 1.03 -0.36 0.00 0.00 175.35 175.76 3df1 s ARG 39 N -0.53 4.53 0.25 4.03 3.00 0.22 -4.71 118.95 125.75 3df1 s ARG 39 Ca 0.20 1.15 0.09 0.00 0.00 0.00 0.00 55.73 57.17 3df1 s ARG 39 Cb -0.18 -3.38 -0.04 0.00 0.00 0.00 0.00 34.95 31.35 3df1 s ARG 39 CO -0.05 0.22 0.00 0.99 0.00 0.00 0.00 175.30 176.46 3df1 s THR 40 N 0.12 3.53 -0.02 0.02 2.01 -1.25 0.12 115.64 120.16 3df1 s THR 40 Ca 0.41 -1.82 -0.01 0.00 0.31 0.00 0.00 61.69 60.58 3df1 s THR 40 Cb -0.21 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.45 3df1 s THR 40 CO 0.24 -0.33 0.05 -0.89 -0.69 0.00 0.00 174.62 173.00 3df1 s THR 41 N -2.22 -0.04 -0.45 -0.82 2.01 0.12 -4.85 115.64 109.39 3df1 s THR 41 Ca 0.31 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 3df1 s THR 41 Cb -0.07 -0.10 0.10 0.00 0.01 0.00 0.00 72.50 72.44 3df1 s THR 41 CO 0.20 0.05 0.31 -0.54 -0.69 0.00 0.00 174.62 173.95 3df1 s LYS 42 N 0.71 2.59 -0.13 4.92 1.02 -1.26 0.02 119.74 127.62 3df1 s LYS 42 Ca -0.06 -1.58 -0.01 0.00 0.02 0.00 0.00 55.97 54.34 3df1 s LYS 42 Cb -0.08 -3.88 -0.02 0.00 -0.52 0.00 0.00 37.83 33.33 3df1 s LYS 42 CO -0.02 -1.07 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.75 3df1 s LEU 43 N 1.42 3.01 -0.54 3.17 1.02 0.21 -4.90 118.68 122.07 3df1 s LEU 43 Ca 0.04 -0.19 -0.28 0.00 0.02 0.00 0.00 54.13 53.72 3df1 s LEU 43 Cb -0.25 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.30 3df1 s LEU 43 CO 0.01 0.21 1.25 -1.00 0.02 0.00 0.00 176.35 176.84 3df1 s HIS 44 N 0.11 2.56 0.78 0.29 3.76 -1.21 -1.44 115.29 120.14 3df1 s HIS 44 Ca -0.03 0.52 -0.05 0.00 -0.15 0.00 0.00 55.06 55.34 3df1 s HIS 44 Cb -0.14 -4.46 0.14 0.00 1.11 0.00 0.00 32.58 29.23 3df1 s HIS 44 CO 0.04 -1.64 1.07 0.08 -0.85 0.00 0.00 174.74 173.44 3df1 s VAL 45 N 5.12 2.13 -0.40 -0.90 1.01 0.36 -4.16 120.40 123.58 3df1 s VAL 45 Ca 0.48 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3df1 s VAL 45 Cb -0.09 -2.73 0.11 0.00 0.00 0.00 0.00 36.38 33.68 3df1 s VAL 45 CO 0.27 0.00 0.14 -2.28 0.00 0.00 0.00 175.10 173.23 3df1 s HIS 46 N -3.34 3.63 -1.15 5.22 2.46 -0.39 -2.43 115.29 119.30 3df1 s HIS 46 Ca 0.67 -2.86 -0.07 0.00 0.47 0.00 0.00 55.06 53.27 3df1 s HIS 46 Cb -0.06 -3.01 0.26 0.00 -0.13 0.00 0.00 32.58 29.64 3df1 s HIS 46 CO 0.46 -0.92 1.53 -3.47 -2.47 0.00 0.00 174.74 169.87 3df1 n ASP 47 N 4.15 5.85 0.00 9.88 4.64 0.37 -3.35 116.55 138.10 3df1 n ASP 47 Ca 0.03 -3.25 0.00 0.00 -1.38 0.00 0.00 54.79 50.19 3df1 n ASP 47 Cb 0.40 -1.37 0.00 0.00 -1.04 0.00 0.00 41.12 39.12 3df1 n ASP 47 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3df1 n GLU 48 N 2.53 0.00 0.00 -0.67 0.00 -1.25 -0.18 120.64 121.06 3df1 n GLU 48 Ca 0.30 0.87 0.07 0.00 0.00 0.00 0.00 57.16 58.40 3df1 n GLU 48 Cb 0.36 -1.36 0.37 0.00 0.00 0.00 0.00 31.44 30.81 3df1 n GLU 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3df1 n ASN 49 N -2.51 0.00 -1.69 4.31 3.02 -1.26 -4.54 115.26 112.59 3df1 n ASN 49 Ca 0.00 -0.02 -0.18 0.00 -0.03 0.00 0.00 54.58 54.35 3df1 n ASN 49 Cb 0.00 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 3df1 n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3df1 n ASN 50 N -1.23 -5.23 0.00 6.41 4.13 0.74 -4.83 115.26 115.25 3df1 n ASN 50 Ca 0.08 0.24 0.04 0.00 1.68 0.00 0.00 54.58 56.62 3df1 n ASN 50 Cb 0.10 -4.31 0.24 0.00 -1.54 0.00 0.00 39.78 34.27 3df1 n ASN 50 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3df1 n GLU 51 N -2.59 0.18 -4.55 3.52 0.28 -1.26 -4.53 120.64 111.69 3df1 n GLU 51 Ca -0.20 0.13 -0.33 0.00 -0.16 0.00 0.00 57.16 56.61 3df1 n GLU 51 Cb 0.63 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.84 3df1 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3df1 s GLY 53 N 0.79 2.02 0.38 0.00 0.00 -1.26 -5.03 107.32 104.22 3df1 s GLY 53 Ca -0.06 -1.80 -0.26 0.00 0.00 0.00 0.00 44.72 42.61 3df1 s GLY 53 CO 0.00 -1.67 1.17 -1.50 0.00 0.00 0.00 173.10 171.11 3df1 s ILE 54 N -2.53 3.15 0.00 0.90 2.07 -1.26 -3.74 121.20 119.79 3df1 s ILE 54 Ca 0.51 1.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.76 3df1 s ILE 54 Cb -0.06 -3.58 0.00 0.00 0.13 0.00 0.00 42.46 38.96 3df1 s ILE 54 CO 0.31 0.12 0.00 0.61 -1.91 0.00 0.00 174.94 174.07 3df1 n GLY 55 N 0.70 0.90 1.87 1.50 0.00 -0.26 -4.87 105.19 105.03 3df1 n GLY 55 Ca 0.03 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 3df1 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df1 n ASP 56 N 1.19 1.97 -3.62 1.61 9.92 -1.25 -3.83 116.55 122.54 3df1 n ASP 56 Ca 0.00 -2.17 -0.29 0.00 -0.53 0.00 0.00 54.79 51.79 3df1 n ASP 56 Cb 0.49 0.36 -0.13 0.00 -0.64 0.00 0.00 41.12 41.21 3df1 n ASP 56 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3df1 s VAL 57 N -2.16 0.98 0.30 2.53 1.01 0.63 -2.36 120.40 121.33 3df1 s VAL 57 Ca 0.05 -2.33 0.08 0.00 0.00 0.00 0.00 61.98 59.79 3df1 s VAL 57 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3df1 s VAL 57 CO 0.04 -0.94 0.15 0.68 0.00 0.00 0.00 175.10 175.03 3df1 s VAL 58 N 0.53 3.65 0.07 2.92 -7.23 -0.93 -0.00 120.40 119.42 3df1 s VAL 58 Ca 0.19 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 3df1 s VAL 58 Cb -0.22 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 3df1 s VAL 58 CO -0.01 -0.28 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.79 3df1 s GLU 59 N -3.83 2.21 0.22 4.82 2.02 -0.74 -2.76 118.70 120.64 3df1 s GLU 59 Ca 0.35 -0.95 -0.05 0.00 0.02 0.00 0.00 54.97 54.34 3df1 s GLU 59 Cb -0.06 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 3df1 s GLU 59 CO 0.23 0.53 0.26 0.96 0.02 0.00 0.00 175.26 177.27 3df1 s ILE 60 N -1.13 0.00 -0.05 -1.63 -0.00 0.53 -1.12 121.20 117.80 3df1 s ILE 60 Ca 0.20 -1.78 -0.12 0.00 -0.00 0.00 0.00 60.65 58.95 3df1 s ILE 60 Cb -0.11 -2.40 0.02 0.00 -0.00 0.00 0.00 42.46 39.97 3df1 s ILE 60 CO 0.11 0.00 0.27 0.00 -0.00 0.00 0.00 174.94 175.33 3df1 s ARG 61 N -4.08 0.50 0.57 0.37 1.04 -0.98 -0.25 118.95 116.13 3df1 s ARG 61 Ca 0.33 0.02 -0.20 0.00 -1.04 0.00 0.00 55.73 54.84 3df1 s ARG 61 Cb 0.04 0.23 -0.04 0.00 -2.04 0.00 0.00 34.95 33.13 3df1 s ARG 61 CO 0.11 -0.11 1.24 -1.91 -0.04 0.00 0.00 175.30 174.59 3df1 n GLU 62 N 1.99 1.37 -2.24 3.89 2.13 -1.26 -2.10 120.64 124.42 3df1 n GLU 62 Ca -0.18 0.51 -0.04 0.00 0.66 0.00 0.00 57.16 58.11 3df1 n GLU 62 Cb 0.57 -2.44 0.01 0.00 0.27 0.00 0.00 31.44 29.84 3df1 n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3df1 n ARG 64 N -0.22 1.95 -1.64 0.00 0.63 -1.26 -4.64 116.66 111.48 3df1 n ARG 64 Ca -0.03 0.69 -0.37 0.00 -0.92 0.00 0.00 57.85 57.22 3df1 n ARG 64 Cb 0.24 -2.27 -0.03 0.00 0.45 0.00 0.00 32.46 30.85 3df1 n ARG 64 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3df1 s PRO 65 N -1.92 2.30 0.40 -0.14 0.04 -1.26 -4.62 135.00 129.80 3df1 s PRO 65 Ca 0.57 1.37 0.21 0.00 0.04 0.00 0.00 61.00 63.20 3df1 s PRO 65 Cb -0.57 -4.53 0.76 0.00 0.04 0.00 0.00 34.50 30.21 3df1 s PRO 65 CO 0.61 -3.06 1.76 -0.07 0.04 0.00 0.00 177.00 176.28 3df1 h LEU 66 N 18.62 0.00 0.00 -3.56 3.38 -0.38 -3.48 115.31 129.89 3df1 h LEU 66 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3df1 h LEU 66 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3df1 h LEU 66 CO 1.14 0.30 0.00 -0.24 0.09 0.00 0.00 178.44 179.73 3df1 n SER 67 N -3.44 0.00 -4.75 -0.43 2.88 -0.70 -5.00 113.62 102.18 3df1 n SER 67 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 3df1 n SER 67 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 3df1 n SER 67 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3df1 s LYS 68 N -0.03 4.41 -0.15 -1.46 1.02 -1.26 -2.21 119.74 120.06 3df1 s LYS 68 Ca 0.00 2.07 0.00 0.00 0.02 0.00 0.00 55.97 58.06 3df1 s LYS 68 Cb 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 3df1 s LYS 68 CO 0.00 -0.18 0.00 0.25 -0.92 0.00 0.00 175.35 174.50 3df1 n THR 69 N 1.99 0.00 -3.90 2.17 -2.24 -1.26 -4.84 114.28 106.20 3df1 n THR 69 Ca 0.04 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.51 3df1 n THR 69 Cb 0.43 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 67.84 3df1 n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3df1 s LYS 70 N -1.45 2.20 -0.02 -0.78 2.20 -0.94 -3.34 119.74 117.60 3df1 s LYS 70 Ca 0.00 -2.78 0.04 0.00 -0.36 0.00 0.00 55.97 52.86 3df1 s LYS 70 Cb 0.00 -3.42 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 3df1 s LYS 70 CO 0.00 -1.16 0.99 0.43 -0.36 0.00 0.00 175.35 175.26 3df1 n SER 71 N 2.90 0.47 -4.03 1.43 7.64 -1.26 0.39 113.62 121.16 3df1 n SER 71 Ca 0.09 -2.13 -0.22 0.00 1.01 0.00 0.00 58.87 57.61 3df1 n SER 71 Cb 0.34 -0.23 -0.16 0.00 -1.01 0.00 0.00 64.21 63.15 3df1 n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3df1 s TRP 72 N -0.55 1.21 0.01 1.43 0.52 -1.26 0.52 118.94 120.81 3df1 s TRP 72 Ca 0.06 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.88 3df1 s TRP 72 Cb 0.05 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.49 3df1 s TRP 72 CO 0.01 -0.14 -0.09 0.99 0.02 0.00 0.00 176.95 177.73 3df1 s THR 73 N 0.25 3.47 0.73 2.01 2.01 -0.89 -1.26 115.64 121.96 3df1 s THR 73 Ca -0.05 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 3df1 s THR 73 Cb -0.11 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.95 3df1 s THR 73 CO 0.01 0.40 1.11 -0.22 -0.69 0.00 0.00 174.62 175.24 3df1 s LEU 74 N -1.37 3.19 0.00 4.42 1.98 -1.21 -2.32 118.68 123.36 3df1 s LEU 74 Ca 0.16 1.98 0.00 0.00 -2.89 0.00 0.00 54.13 53.38 3df1 s LEU 74 Cb -0.11 -4.54 0.00 0.00 0.66 0.00 0.00 46.19 42.20 3df1 s LEU 74 CO 0.07 -1.98 0.00 1.33 -1.89 0.00 0.00 176.35 173.87 3df1 n VAL 75 N -3.06 0.00 -3.62 1.68 0.24 -0.27 -4.89 118.33 108.41 3df1 n VAL 75 Ca 0.10 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.34 3df1 n VAL 75 Cb 0.52 -0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 31.92 3df1 n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df1 s ARG 76 N -1.90 0.34 -1.06 7.34 1.70 -1.25 -5.02 118.95 119.10 3df1 s ARG 76 Ca 0.00 0.21 -0.21 0.00 -0.47 0.00 0.00 55.73 55.26 3df1 s ARG 76 Cb 0.00 0.16 0.07 0.00 -0.57 0.00 0.00 34.95 34.61 3df1 s ARG 76 CO 0.00 -0.08 1.46 0.08 -1.08 0.00 0.00 175.30 175.69 3df1 s VAL 77 N -0.52 4.07 0.53 4.99 1.01 -1.26 -1.80 120.40 127.43 3df1 s VAL 77 Ca 0.04 -1.10 0.36 0.00 0.00 0.00 0.00 61.98 61.28 3df1 s VAL 77 Cb -0.03 -5.05 0.56 0.00 0.00 0.00 0.00 36.38 31.86 3df1 s VAL 77 CO -0.06 -1.90 1.78 0.58 0.00 0.00 0.00 175.10 175.50 3df1 h VAL 78 N 6.42 0.38 -0.55 2.92 2.07 -0.75 -3.37 116.25 123.38 3df1 h VAL 78 Ca 0.24 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.91 3df1 h VAL 78 Cb 0.98 0.35 -0.20 0.00 -1.52 0.00 0.00 31.29 30.90 3df1 h VAL 78 CO 1.40 0.01 -0.10 -0.70 0.02 0.00 0.00 177.57 178.19 3df1 s GLU 79 N -4.98 0.31 0.42 1.57 2.12 -0.22 -5.01 118.70 112.91 3df1 s GLU 79 Ca -0.05 0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 3df1 s GLU 79 Cb 0.24 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 3df1 s GLU 79 CO 0.81 -0.49 0.70 -1.59 -0.54 0.00 0.00 175.26 174.15 3df1 s LYS 80 N 2.91 3.55 0.23 4.30 0.00 -1.26 -0.27 119.74 129.20 3df1 s LYS 80 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 55.97 56.17 3df1 s LYS 80 Cb -0.08 -2.48 0.00 0.00 0.00 0.00 0.00 37.83 35.27 3df1 s LYS 80 CO -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 175.35 175.09 3df1 n ALA 81 N -1.94 -3.02 0.00 0.59 0.00 -1.25 -4.93 120.51 109.96 3df1 n ALA 81 Ca -0.01 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3df1 n ALA 81 Cb 0.55 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3df1 n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05