#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df3 s ILE 4 N 0.00 0.10 -0.92 3.15 1.09 -1.26 -5.10 121.20 118.26 3df3 s ILE 4 Ca 0.00 -0.86 -0.07 0.00 -1.10 0.00 0.00 60.65 58.62 3df3 s ILE 4 Cb 0.00 -0.41 0.23 0.00 -1.06 0.00 0.00 42.46 41.23 3df3 s ILE 4 CO 0.00 -0.47 0.85 -0.13 -0.10 0.00 0.00 174.94 175.09 3df3 s ARG 5 N -1.58 3.60 0.47 2.79 0.52 -1.26 -5.04 118.95 118.45 3df3 s ARG 5 Ca -0.14 -2.98 0.00 0.00 -0.52 0.00 0.00 55.73 52.09 3df3 s ARG 5 Cb -0.08 -4.26 0.09 0.00 0.52 0.00 0.00 34.95 31.23 3df3 s ARG 5 CO -0.00 -1.25 0.65 0.25 0.02 0.00 0.00 175.30 174.96 3df3 n THR 6 N 2.99 0.00 -3.64 0.02 -2.24 -1.26 -4.43 114.28 105.71 3df3 n THR 6 Ca 0.19 -1.03 -0.07 0.00 -2.27 0.00 0.00 64.05 60.87 3df3 n THR 6 Cb 0.40 -1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 67.51 3df3 n THR 6 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3df3 s LEU 7 N 0.00 -0.64 0.00 3.22 0.20 0.81 -4.92 118.68 117.35 3df3 s LEU 7 Ca 0.43 1.10 -0.02 0.00 0.69 0.00 0.00 54.13 56.33 3df3 s LEU 7 Cb -0.02 2.04 0.03 0.00 -0.43 0.00 0.00 46.19 47.81 3df3 s LEU 7 CO 0.28 -0.18 0.12 0.00 -0.29 0.00 0.00 176.35 176.29 3df3 n GLN 8 N 3.37 -0.59 0.00 1.98 1.13 -1.26 -0.24 117.38 121.78 3df3 n GLN 8 Ca -0.17 -0.19 0.00 0.00 -1.94 0.00 0.00 57.00 54.70 3df3 n GLN 8 Cb 0.57 -0.15 0.00 0.00 0.11 0.00 0.00 30.24 30.78 3df3 n GLN 8 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3df3 n GLY 9 N 3.13 4.04 3.67 1.08 0.00 -1.11 -4.73 105.19 111.28 3df3 n GLY 9 Ca 0.02 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 3df3 n GLY 9 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3df3 s ARG 10 N -2.73 2.86 -1.03 1.61 1.70 -0.62 -2.11 118.95 118.63 3df3 s ARG 10 Ca 0.00 -0.52 -0.23 0.00 -0.47 0.00 0.00 55.73 54.51 3df3 s ARG 10 Cb 0.00 -2.71 -0.02 0.00 -0.57 0.00 0.00 34.95 31.65 3df3 s ARG 10 CO 0.00 0.66 1.80 0.08 -1.08 0.00 0.00 175.30 176.77 3df3 s VAL 11 N -0.97 3.65 0.36 4.99 1.01 -0.97 -0.97 120.40 127.50 3df3 s VAL 11 Ca 0.16 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.51 3df3 s VAL 11 Cb -0.11 -4.49 0.11 0.00 0.00 0.00 0.00 36.38 31.89 3df3 s VAL 11 CO 0.06 -1.30 1.84 1.62 0.00 0.00 0.00 175.10 177.32 3df3 h VAL 12 N 6.76 1.23 -4.12 2.92 3.04 -1.75 -0.39 116.25 123.95 3df3 h VAL 12 Ca 0.18 -1.07 -0.34 0.00 -1.01 0.00 0.00 66.70 64.46 3df3 h VAL 12 Cb 0.98 1.44 -0.14 0.00 -2.01 0.00 0.00 31.29 31.56 3df3 h VAL 12 CO 1.29 0.32 -0.60 -0.55 -1.01 0.00 0.00 177.57 177.03 3df3 s SER 13 N -6.90 0.97 -0.34 3.17 0.15 -0.82 -4.82 113.70 105.12 3df3 s SER 13 Ca -0.05 -1.45 -0.04 0.00 0.70 0.00 0.00 55.95 55.12 3df3 s SER 13 Cb 0.15 0.30 0.25 0.00 -1.71 0.00 0.00 66.02 65.01 3df3 s SER 13 CO 0.74 -0.82 1.18 -0.67 1.20 0.00 0.00 173.24 174.87 3df3 n ASP 14 N -0.57 -1.39 -0.55 5.45 4.64 -1.26 -3.60 116.55 119.27 3df3 n ASP 14 Ca 0.01 -1.54 0.00 0.00 -1.38 0.00 0.00 54.79 51.89 3df3 n ASP 14 Cb 0.66 0.75 0.00 0.00 -1.04 0.00 0.00 41.12 41.48 3df3 n ASP 14 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3df3 n LYS 15 N 1.89 0.00 -4.36 -0.67 5.02 -1.26 -4.91 118.16 113.86 3df3 n LYS 15 Ca 0.05 -0.99 -0.20 0.00 -2.02 0.00 0.00 58.31 55.15 3df3 n LYS 15 Cb 0.68 -0.44 -0.13 0.00 -0.02 0.00 0.00 35.03 35.12 3df3 n LYS 15 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3df3 s MET 16 N 0.00 0.91 -0.31 1.97 -1.94 -1.21 -5.06 119.30 113.66 3df3 s MET 16 Ca 0.02 -0.70 -0.27 0.00 -1.71 0.00 0.00 55.69 53.02 3df3 s MET 16 Cb 0.02 -0.90 -0.05 0.00 2.01 0.00 0.00 34.83 35.90 3df3 s MET 16 CO -0.01 0.23 2.25 -1.21 -0.01 0.00 0.00 175.02 176.27 3df3 s GLU 17 N -1.01 2.82 0.00 2.03 2.02 -1.26 -1.67 118.70 121.64 3df3 s GLU 17 Ca 0.01 1.79 0.00 0.00 0.02 0.00 0.00 54.97 56.80 3df3 s GLU 17 Cb -0.07 -4.43 0.00 0.00 0.10 0.00 0.00 34.13 29.73 3df3 s GLU 17 CO 0.01 -2.45 0.00 1.63 0.02 0.00 0.00 175.26 174.46 3df3 n LYS 18 N 8.83 0.00 -3.57 1.61 5.02 -1.26 -4.94 118.16 123.85 3df3 n LYS 18 Ca 0.31 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.19 3df3 n LYS 18 Cb 0.48 -3.31 -0.10 0.00 -0.02 0.00 0.00 35.03 32.08 3df3 n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3df3 s SER 19 N -2.63 5.77 -0.18 4.39 0.01 -0.67 0.14 113.70 120.54 3df3 s SER 19 Ca 0.00 -1.20 -0.01 0.00 1.31 0.00 0.00 55.95 56.05 3df3 s SER 19 Cb 0.00 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.19 3df3 s SER 19 CO 0.00 -0.47 -0.14 -0.63 0.41 0.00 0.00 173.24 172.41 3df3 s ILE 20 N 1.53 2.71 0.22 1.44 1.09 -0.98 -3.34 121.20 123.86 3df3 s ILE 20 Ca 0.03 -0.74 -0.30 0.00 -1.10 0.00 0.00 60.65 58.54 3df3 s ILE 20 Cb -0.21 -2.17 -0.08 0.00 -1.06 0.00 0.00 42.46 38.94 3df3 s ILE 20 CO 0.05 0.50 0.97 -0.69 -0.10 0.00 0.00 174.94 175.68 3df3 s VAL 21 N 1.09 4.07 0.01 2.92 1.01 -1.24 -0.36 120.40 127.90 3df3 s VAL 21 Ca -0.00 1.98 0.03 0.00 0.00 0.00 0.00 61.98 63.99 3df3 s VAL 21 Cb -0.14 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 3df3 s VAL 21 CO -0.04 0.43 -0.10 -0.69 0.00 0.00 0.00 175.10 174.70 3df3 s VAL 22 N -0.89 0.77 0.15 2.92 1.01 -0.53 -1.94 120.40 121.89 3df3 s VAL 22 Ca 0.43 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.84 3df3 s VAL 22 Cb -0.26 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3df3 s VAL 22 CO 0.33 0.07 0.16 0.00 0.00 0.00 0.00 175.10 175.66 3df3 s ALA 23 N -0.51 3.67 -0.18 5.51 0.00 -0.14 -0.50 121.76 129.60 3df3 s ALA 23 Ca 0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 3df3 s ALA 23 Cb -0.05 -1.48 0.09 0.00 0.00 0.00 0.00 23.12 21.68 3df3 s ALA 23 CO 0.00 0.55 0.25 0.42 0.00 0.00 0.00 175.76 176.98 3df3 s ILE 24 N -1.70 -0.39 0.79 0.00 1.01 0.10 -1.59 121.20 119.43 3df3 s ILE 24 Ca 0.32 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 3df3 s ILE 24 Cb -0.11 -0.59 0.08 0.00 0.01 0.00 0.00 42.46 41.85 3df3 s ILE 24 CO 0.24 -0.06 1.15 -1.61 0.00 0.00 0.00 174.94 174.66 3df3 s GLU 25 N 2.38 2.00 -0.29 2.79 2.02 -1.25 0.06 118.70 126.41 3df3 s GLU 25 Ca 0.05 0.03 -0.25 0.00 0.02 0.00 0.00 54.97 54.82 3df3 s GLU 25 Cb -0.14 -2.00 0.16 0.00 0.10 0.00 0.00 34.13 32.25 3df3 s GLU 25 CO -0.11 -1.53 1.23 -0.98 0.02 0.00 0.00 175.26 173.90 3df3 s ARG 26 N -5.51 0.29 0.48 1.61 1.70 0.26 -4.86 118.95 112.91 3df3 s ARG 26 Ca 0.62 0.32 -0.20 0.00 -0.47 0.00 0.00 55.73 56.00 3df3 s ARG 26 Cb -0.11 0.14 -0.09 0.00 -0.57 0.00 0.00 34.95 34.32 3df3 s ARG 26 CO 0.48 -0.04 0.99 -0.06 -1.08 0.00 0.00 175.30 175.60 3df3 s PHE 27 N 0.07 3.20 -0.29 5.89 0.40 -1.26 -0.77 117.98 125.22 3df3 s PHE 27 Ca 0.05 1.57 -0.16 0.00 -0.60 0.00 0.00 56.93 57.79 3df3 s PHE 27 Cb -0.05 -2.93 0.13 0.00 0.51 0.00 0.00 43.02 40.68 3df3 s PHE 27 CO -0.10 -0.48 0.90 0.54 0.70 0.00 0.00 175.22 176.77 3df3 s VAL 28 N -2.21 0.00 0.09 -0.44 0.11 -1.17 -4.92 120.40 111.87 3df3 s VAL 28 Ca 0.63 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.43 3df3 s VAL 28 Cb -0.12 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.66 3df3 s VAL 28 CO 0.20 0.00 0.79 -0.75 -3.33 0.00 0.00 175.10 172.01 3df3 s LYS 29 N 1.38 4.54 0.20 1.54 2.20 -1.26 -1.27 119.74 127.07 3df3 s LYS 29 Ca -0.09 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.36 3df3 s LYS 29 Cb -0.04 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.86 3df3 s LYS 29 CO -0.16 0.38 1.33 -1.58 -0.36 0.00 0.00 175.35 174.96 3df3 s HIS 30 N -0.44 3.22 -1.67 4.03 5.65 -0.98 -4.86 115.29 120.24 3df3 s HIS 30 Ca 0.38 1.19 0.00 0.00 0.25 0.00 0.00 55.06 56.88 3df3 s HIS 30 Cb -0.22 -3.63 0.00 0.00 -1.18 0.00 0.00 32.58 27.55 3df3 s HIS 30 CO 0.25 -1.99 0.03 -0.35 -0.65 0.00 0.00 174.74 172.03 3df3 n PRO 31 N 2.60 0.04 0.00 2.88 -0.04 -1.26 -2.14 135.00 137.08 3df3 n PRO 31 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3df3 n PRO 31 Cb 0.42 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 3df3 n PRO 31 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3df3 n ILE 32 N -0.18 0.00 0.00 0.52 3.06 -1.26 -4.97 119.36 116.54 3df3 n ILE 32 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3df3 n ILE 32 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 3df3 n ILE 32 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 3df3 n TYR 33 N 0.00 0.00 0.00 9.51 0.53 -1.10 -5.04 117.16 121.05 3df3 n TYR 33 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 3df3 n TYR 33 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.39 3df3 n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3df3 n GLY 34 N 1.39 1.55 0.54 2.72 0.00 -0.91 -4.84 105.19 105.63 3df3 n GLY 34 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3df3 n GLY 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3df3 n LYS 35 N 0.00 0.00 -2.42 1.61 3.00 -1.26 -2.32 118.16 116.77 3df3 n LYS 35 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 3df3 n LYS 35 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 35.03 34.77 3df3 n LYS 35 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3df3 s PHE 36 N 0.77 2.95 0.46 5.64 0.40 -1.26 -3.32 117.98 123.62 3df3 s PHE 36 Ca 0.18 1.58 0.03 0.00 -0.60 0.00 0.00 56.93 58.11 3df3 s PHE 36 Cb -0.24 -3.19 -0.02 0.00 0.51 0.00 0.00 43.02 40.08 3df3 s PHE 36 CO 0.11 -1.09 0.07 0.42 0.70 0.00 0.00 175.22 175.44 3df3 s ILE 37 N -1.78 0.84 -0.59 0.64 1.01 -0.40 -4.89 121.20 116.03 3df3 s ILE 37 Ca 0.66 -2.00 0.01 0.00 0.00 0.00 0.00 60.65 59.32 3df3 s ILE 37 Cb -0.22 -2.26 0.15 0.00 0.01 0.00 0.00 42.46 40.15 3df3 s ILE 37 CO 0.26 0.00 0.37 -0.75 0.00 0.00 0.00 174.94 174.82 3df3 s LYS 38 N -3.78 2.30 0.02 2.79 2.20 -1.26 -3.04 119.74 118.97 3df3 s LYS 38 Ca 0.15 -2.70 -0.25 0.00 -0.36 0.00 0.00 55.97 52.82 3df3 s LYS 38 Cb 0.02 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3df3 s LYS 38 CO 0.09 -1.16 0.76 1.03 -0.36 0.00 0.00 175.35 175.71 3df3 s ARG 39 N -0.38 4.48 0.26 4.03 3.00 0.05 -4.73 118.95 125.66 3df3 s ARG 39 Ca 0.18 1.03 0.09 0.00 0.00 0.00 0.00 55.73 57.04 3df3 s ARG 39 Cb -0.21 -3.38 -0.04 0.00 0.00 0.00 0.00 34.95 31.32 3df3 s ARG 39 CO -0.03 0.23 0.03 0.99 0.00 0.00 0.00 175.30 176.52 3df3 s THR 40 N 0.13 3.62 -0.04 0.02 2.01 -1.25 0.91 115.64 121.04 3df3 s THR 40 Ca 0.39 -1.82 -0.02 0.00 0.31 0.00 0.00 61.69 60.55 3df3 s THR 40 Cb -0.20 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.40 3df3 s THR 40 CO 0.22 -0.36 0.09 -0.89 -0.69 0.00 0.00 174.62 172.99 3df3 s THR 41 N -2.27 -0.04 -0.43 -0.82 2.01 0.11 -4.85 115.64 109.34 3df3 s THR 41 Ca 0.31 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.35 3df3 s THR 41 Cb -0.07 -0.15 0.08 0.00 0.01 0.00 0.00 72.50 72.37 3df3 s THR 41 CO 0.21 0.05 0.29 -0.54 -0.69 0.00 0.00 174.62 173.94 3df3 s LYS 42 N 0.79 2.64 -0.13 4.92 1.02 -1.25 0.03 119.74 127.75 3df3 s LYS 42 Ca -0.06 -1.48 -0.01 0.00 0.02 0.00 0.00 55.97 54.43 3df3 s LYS 42 Cb -0.08 -3.85 -0.02 0.00 -0.52 0.00 0.00 37.83 33.35 3df3 s LYS 42 CO -0.03 -1.00 -0.10 -0.51 -0.92 0.00 0.00 175.35 172.79 3df3 s LEU 43 N 1.45 2.92 -0.57 3.17 1.02 0.34 -4.90 118.68 122.12 3df3 s LEU 43 Ca 0.03 -0.23 -0.28 0.00 0.02 0.00 0.00 54.13 53.67 3df3 s LEU 43 Cb -0.24 -1.67 0.02 0.00 0.02 0.00 0.00 46.19 44.32 3df3 s LEU 43 CO 0.02 0.19 1.33 -1.00 0.02 0.00 0.00 176.35 176.91 3df3 s HIS 44 N 0.22 2.41 0.78 0.29 3.76 -1.21 -1.45 115.29 120.08 3df3 s HIS 44 Ca -0.06 0.44 -0.06 0.00 -0.15 0.00 0.00 55.06 55.23 3df3 s HIS 44 Cb -0.15 -4.44 0.13 0.00 1.11 0.00 0.00 32.58 29.23 3df3 s HIS 44 CO 0.04 -1.84 1.08 0.08 -0.85 0.00 0.00 174.74 173.26 3df3 s VAL 45 N 5.62 2.15 -0.39 -0.90 1.01 0.52 -4.17 120.40 124.24 3df3 s VAL 45 Ca 0.49 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3df3 s VAL 45 Cb -0.10 -2.80 0.11 0.00 0.00 0.00 0.00 36.38 33.59 3df3 s VAL 45 CO 0.25 0.00 0.15 -2.28 0.00 0.00 0.00 175.10 173.22 3df3 s HIS 46 N -3.36 3.64 -1.14 5.22 2.46 -0.38 -2.32 115.29 119.39 3df3 s HIS 46 Ca 0.67 -2.78 -0.07 0.00 0.47 0.00 0.00 55.06 53.35 3df3 s HIS 46 Cb -0.06 -3.05 0.26 0.00 -0.13 0.00 0.00 32.58 29.59 3df3 s HIS 46 CO 0.47 -0.94 1.52 -3.47 -2.47 0.00 0.00 174.74 169.84 3df3 n ASP 47 N 4.26 5.89 0.00 9.88 4.64 0.37 -3.29 116.55 138.30 3df3 n ASP 47 Ca 0.02 -3.25 0.00 0.00 -1.38 0.00 0.00 54.79 50.18 3df3 n ASP 47 Cb 0.41 -1.36 0.00 0.00 -1.04 0.00 0.00 41.12 39.13 3df3 n ASP 47 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3df3 n GLU 48 N 2.44 0.00 0.00 -0.67 0.00 -1.25 -0.17 120.64 120.98 3df3 n GLU 48 Ca 0.30 0.94 0.08 0.00 0.00 0.00 0.00 57.16 58.47 3df3 n GLU 48 Cb 0.35 -1.44 0.43 0.00 0.00 0.00 0.00 31.44 30.78 3df3 n GLU 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3df3 n ASN 49 N -2.75 0.00 -1.58 4.31 3.02 -1.26 -4.55 115.26 112.44 3df3 n ASN 49 Ca 0.00 -0.13 -0.19 0.00 -0.03 0.00 0.00 54.58 54.23 3df3 n ASN 49 Cb 0.00 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 3df3 n ASN 49 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3df3 n ASN 50 N -1.19 -5.30 0.00 6.41 4.13 0.76 -4.82 115.26 115.25 3df3 n ASN 50 Ca 0.09 0.37 0.03 0.00 1.68 0.00 0.00 54.58 56.75 3df3 n ASN 50 Cb 0.10 -4.43 0.15 0.00 -1.54 0.00 0.00 39.78 34.06 3df3 n ASN 50 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 3df3 n GLU 51 N -2.52 0.11 -4.64 3.52 0.28 -1.26 -4.50 120.64 111.62 3df3 n GLU 51 Ca -0.19 0.16 -0.33 0.00 -0.16 0.00 0.00 57.16 56.64 3df3 n GLU 51 Cb 0.63 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.84 3df3 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3df3 s GLY 53 N 0.69 2.07 0.40 0.00 0.00 -1.26 -5.04 107.32 104.18 3df3 s GLY 53 Ca -0.08 -1.80 -0.26 0.00 0.00 0.00 0.00 44.72 42.59 3df3 s GLY 53 CO 0.02 -1.68 1.20 -1.50 0.00 0.00 0.00 173.10 171.14 3df3 s ILE 54 N -2.51 3.03 -0.02 0.90 2.07 -1.26 -3.72 121.20 119.69 3df3 s ILE 54 Ca 0.50 0.89 -0.00 0.00 -1.41 0.00 0.00 60.65 60.62 3df3 s ILE 54 Cb -0.05 -3.51 0.00 0.00 0.13 0.00 0.00 42.46 39.03 3df3 s ILE 54 CO 0.30 0.10 0.02 0.61 -1.91 0.00 0.00 174.94 174.06 3df3 n GLY 55 N 0.67 0.82 1.99 1.50 0.00 -0.16 -4.87 105.19 105.14 3df3 n GLY 55 Ca 0.04 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 3df3 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df3 n ASP 56 N 0.89 1.90 -3.63 1.61 9.92 -1.24 -3.84 116.55 122.16 3df3 n ASP 56 Ca -0.00 -2.25 -0.29 0.00 -0.53 0.00 0.00 54.79 51.71 3df3 n ASP 56 Cb 0.50 0.41 -0.12 0.00 -0.64 0.00 0.00 41.12 41.27 3df3 n ASP 56 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3df3 s VAL 57 N -2.24 1.04 0.29 2.53 1.01 0.52 -2.28 120.40 121.27 3df3 s VAL 57 Ca 0.06 -2.40 0.08 0.00 0.00 0.00 0.00 61.98 59.73 3df3 s VAL 57 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3df3 s VAL 57 CO 0.04 -0.95 0.15 0.68 0.00 0.00 0.00 175.10 175.02 3df3 s VAL 58 N 0.46 3.70 0.08 2.92 -7.23 -0.90 0.08 120.40 119.51 3df3 s VAL 58 Ca 0.19 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.83 3df3 s VAL 58 Cb -0.21 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 3df3 s VAL 58 CO -0.02 -0.29 -0.09 -1.61 -0.31 0.00 0.00 175.10 172.78 3df3 s GLU 59 N -3.83 2.22 0.23 4.82 2.02 -0.75 -2.75 118.70 120.66 3df3 s GLU 59 Ca 0.35 -0.96 -0.05 0.00 0.02 0.00 0.00 54.97 54.33 3df3 s GLU 59 Cb -0.06 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.80 3df3 s GLU 59 CO 0.23 0.53 0.28 0.96 0.02 0.00 0.00 175.26 177.28 3df3 s ILE 60 N -1.16 0.00 -0.06 -1.63 -0.00 0.67 -1.29 121.20 117.74 3df3 s ILE 60 Ca 0.20 -1.76 -0.12 0.00 -0.00 0.00 0.00 60.65 58.98 3df3 s ILE 60 Cb -0.11 -2.39 0.02 0.00 -0.00 0.00 0.00 42.46 39.98 3df3 s ILE 60 CO 0.12 0.00 0.29 0.00 -0.00 0.00 0.00 174.94 175.35 3df3 s ARG 61 N -4.04 0.51 0.58 0.37 1.04 -1.01 -0.13 118.95 116.26 3df3 s ARG 61 Ca 0.32 0.06 -0.20 0.00 -1.04 0.00 0.00 55.73 54.87 3df3 s ARG 61 Cb 0.04 0.23 -0.04 0.00 -2.04 0.00 0.00 34.95 33.14 3df3 s ARG 61 CO 0.12 -0.11 1.25 -1.91 -0.04 0.00 0.00 175.30 174.60 3df3 n GLU 62 N 2.02 1.36 -1.71 3.89 2.13 -1.26 -2.18 120.64 124.89 3df3 n GLU 62 Ca -0.18 0.51 -0.02 0.00 0.66 0.00 0.00 57.16 58.13 3df3 n GLU 62 Cb 0.57 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.82 3df3 n GLU 62 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3df3 n ARG 64 N -0.11 2.10 -1.64 0.00 0.63 -1.26 -4.65 116.66 111.72 3df3 n ARG 64 Ca -0.01 0.74 -0.37 0.00 -0.92 0.00 0.00 57.85 57.28 3df3 n ARG 64 Cb 0.12 -2.35 -0.03 0.00 0.45 0.00 0.00 32.46 30.65 3df3 n ARG 64 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3df3 s PRO 65 N -1.97 2.29 0.41 -0.14 0.04 -1.26 -4.62 135.00 129.73 3df3 s PRO 65 Ca 0.57 1.36 0.21 0.00 0.04 0.00 0.00 61.00 63.18 3df3 s PRO 65 Cb -0.55 -4.53 0.79 0.00 0.04 0.00 0.00 34.50 30.25 3df3 s PRO 65 CO 0.61 -3.07 1.78 -0.07 0.04 0.00 0.00 177.00 176.29 3df3 h LEU 66 N 18.66 0.00 0.00 -3.56 3.38 -0.39 -3.48 115.31 129.92 3df3 h LEU 66 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3df3 h LEU 66 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3df3 h LEU 66 CO 1.15 0.30 0.00 -0.24 0.09 0.00 0.00 178.44 179.74 3df3 n SER 67 N -3.48 0.00 -4.75 -0.43 2.88 -0.72 -5.00 113.62 102.12 3df3 n SER 67 Ca -0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 3df3 n SER 67 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 3df3 n SER 67 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3df3 s LYS 68 N -0.06 4.44 -0.32 -1.46 1.02 -1.26 -2.33 119.74 119.78 3df3 s LYS 68 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 55.97 58.00 3df3 s LYS 68 Cb 0.00 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 3df3 s LYS 68 CO 0.00 -0.14 0.00 0.25 -0.92 0.00 0.00 175.35 174.54 3df3 n THR 69 N 2.08 0.00 -3.93 2.17 -2.24 -1.26 -4.85 114.28 106.25 3df3 n THR 69 Ca 0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.52 3df3 n THR 69 Cb 0.43 -0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 3df3 n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3df3 s LYS 70 N -1.67 2.12 -0.03 -0.78 2.20 -0.98 -3.30 119.74 117.28 3df3 s LYS 70 Ca 0.00 -2.84 0.04 0.00 -0.36 0.00 0.00 55.97 52.82 3df3 s LYS 70 Cb 0.00 -3.34 0.07 0.00 -1.51 0.00 0.00 37.83 33.05 3df3 s LYS 70 CO 0.00 -1.16 1.02 0.43 -0.36 0.00 0.00 175.35 175.28 3df3 n SER 71 N 2.77 0.56 -4.02 1.43 7.64 -1.26 0.39 113.62 121.13 3df3 n SER 71 Ca 0.09 -2.22 -0.22 0.00 1.01 0.00 0.00 58.87 57.53 3df3 n SER 71 Cb 0.33 -0.25 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 3df3 n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3df3 s TRP 72 N -0.68 1.11 0.02 1.43 0.52 -1.26 0.43 118.94 120.51 3df3 s TRP 72 Ca 0.07 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 55.94 3df3 s TRP 72 Cb 0.06 -0.79 -0.03 0.00 -1.15 0.00 0.00 33.47 31.56 3df3 s TRP 72 CO 0.01 -0.13 -0.09 0.99 0.02 0.00 0.00 176.95 177.75 3df3 s THR 73 N 0.26 3.49 0.71 2.01 2.01 -0.92 -1.25 115.64 121.94 3df3 s THR 73 Ca -0.05 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 3df3 s THR 73 Cb -0.10 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.90 3df3 s THR 73 CO 0.01 0.34 1.11 -0.22 -0.69 0.00 0.00 174.62 175.17 3df3 s LEU 74 N -1.55 3.25 0.00 4.42 1.98 -1.21 -2.40 118.68 123.18 3df3 s LEU 74 Ca 0.17 1.96 0.00 0.00 -2.89 0.00 0.00 54.13 53.38 3df3 s LEU 74 Cb -0.11 -4.54 0.00 0.00 0.66 0.00 0.00 46.19 42.20 3df3 s LEU 74 CO 0.08 -1.84 0.00 1.33 -1.89 0.00 0.00 176.35 174.04 3df3 n VAL 75 N -2.85 0.00 -3.62 1.68 0.24 -0.41 -4.90 118.33 108.47 3df3 n VAL 75 Ca 0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.34 3df3 n VAL 75 Cb 0.52 -0.84 -0.06 0.00 -1.47 0.00 0.00 33.84 32.00 3df3 n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df3 s ARG 76 N -1.88 0.31 -1.03 7.34 1.70 -1.25 -5.02 118.95 119.12 3df3 s ARG 76 Ca 0.00 0.18 -0.22 0.00 -0.47 0.00 0.00 55.73 55.22 3df3 s ARG 76 Cb 0.00 0.15 0.07 0.00 -0.57 0.00 0.00 34.95 34.60 3df3 s ARG 76 CO 0.00 -0.07 1.41 0.08 -1.08 0.00 0.00 175.30 175.63 3df3 s VAL 77 N -0.58 4.12 0.52 4.99 1.01 -1.26 -1.81 120.40 127.38 3df3 s VAL 77 Ca 0.04 -1.04 0.34 0.00 0.00 0.00 0.00 61.98 61.31 3df3 s VAL 77 Cb -0.02 -5.01 0.53 0.00 0.00 0.00 0.00 36.38 31.87 3df3 s VAL 77 CO -0.06 -1.86 1.80 0.58 0.00 0.00 0.00 175.10 175.56 3df3 h VAL 78 N 6.48 0.42 -0.59 2.92 2.07 -0.68 -3.37 116.25 123.50 3df3 h VAL 78 Ca 0.21 -0.02 0.15 0.00 0.82 0.00 0.00 66.70 67.86 3df3 h VAL 78 Cb 1.00 0.35 -0.20 0.00 -1.52 0.00 0.00 31.29 30.92 3df3 h VAL 78 CO 1.37 0.01 -0.12 -0.70 0.02 0.00 0.00 177.57 178.14 3df3 s GLU 79 N -5.04 0.33 0.42 1.57 2.12 -0.23 -5.01 118.70 112.87 3df3 s GLU 79 Ca -0.06 0.42 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 3df3 s GLU 79 Cb 0.23 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 3df3 s GLU 79 CO 0.80 -0.53 0.70 -1.59 -0.54 0.00 0.00 175.26 174.11 3df3 s LYS 80 N 2.91 3.56 0.20 4.30 0.00 -1.26 -0.35 119.74 129.09 3df3 s LYS 80 Ca 0.16 0.07 0.00 0.00 0.00 0.00 0.00 55.97 56.19 3df3 s LYS 80 Cb -0.08 -2.48 0.00 0.00 0.00 0.00 0.00 37.83 35.28 3df3 s LYS 80 CO -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 175.35 175.08 3df3 n ALA 81 N -1.93 -2.99 -1.47 0.59 0.00 -1.25 -4.93 120.51 108.54 3df3 n ALA 81 Ca -0.01 0.27 -0.00 0.00 0.00 0.00 0.00 53.44 53.70 3df3 n ALA 81 Cb 0.55 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 3df3 n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3df3 n VAL 82 N -2.68 0.00 0.00 0.00 3.14 -1.26 -4.85 118.33 112.68 3df3 n VAL 82 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3df3 n VAL 82 Cb 0.59 0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 3df3 n VAL 82 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55