#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e17 s ILE 2 N 0.00 1.12 -0.02 2.02 -4.36 -1.26 -5.14 121.20 113.56 3e17 s ILE 2 Ca 0.00 -1.15 -0.08 0.00 -0.26 0.00 0.00 60.65 59.16 3e17 s ILE 2 Cb 0.00 -1.05 -0.05 0.00 1.25 0.00 0.00 42.46 42.61 3e17 s ILE 2 CO 0.00 -0.11 0.26 -0.83 0.24 0.00 0.00 174.94 174.50 3e17 s GLY 3 N -1.44 2.26 -0.06 6.27 0.00 -1.26 -5.09 107.32 108.00 3e17 s GLY 3 Ca -0.00 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.20 3e17 s GLY 3 CO 0.02 -0.31 -0.10 0.14 0.00 0.00 0.00 173.10 172.84 3e17 s VAL 4 N -1.21 0.96 -0.20 1.40 1.01 -1.26 -5.12 120.40 115.98 3e17 s VAL 4 Ca 0.24 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3e17 s VAL 4 Cb -0.13 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3e17 s VAL 4 CO 0.13 0.32 -0.17 -0.22 0.00 0.00 0.00 175.10 175.15 3e17 s LEU 5 N 0.73 2.44 -0.11 3.92 2.96 -1.26 -5.11 118.68 122.25 3e17 s LEU 5 Ca -0.14 -0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 52.96 3e17 s LEU 5 Cb -0.15 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3e17 s LEU 5 CO 0.03 -0.04 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.22 3e17 s LEU 6 N 1.26 3.33 -0.06 -0.68 1.43 -1.26 -5.10 118.68 117.60 3e17 s LEU 6 Ca 0.02 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3e17 s LEU 6 Cb -0.15 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3e17 s LEU 6 CO -0.11 0.29 0.01 -0.32 0.23 0.00 0.00 176.35 176.45 3e17 s MET 7 N -0.35 0.45 0.56 1.70 1.75 -1.26 -5.14 119.30 117.02 3e17 s MET 7 Ca 0.06 0.14 -0.15 0.00 -1.25 0.00 0.00 55.69 54.49 3e17 s MET 7 Cb -0.12 -0.82 -0.06 0.00 2.84 0.00 0.00 34.83 36.67 3e17 s MET 7 CO 0.02 -0.27 1.01 0.15 -0.65 0.00 0.00 175.02 175.28 3e17 s LYS 8 N 1.83 3.74 0.40 4.11 1.02 -1.26 -4.99 119.74 124.59 3e17 s LYS 8 Ca 0.02 0.95 -0.14 0.00 0.02 0.00 0.00 55.97 56.82 3e17 s LYS 8 Cb -0.12 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 35.14 3e17 s LYS 8 CO -0.04 -0.45 0.78 -1.54 -0.92 0.00 0.00 175.35 173.18 3e17 s SER 9 N -3.30 0.08 0.39 2.83 1.04 -1.06 -5.01 113.70 108.68 3e17 s SER 9 Ca 0.59 -1.22 0.28 0.00 0.48 0.00 0.00 55.95 56.07 3e17 s SER 9 Cb -0.11 0.86 1.33 0.00 0.10 0.00 0.00 66.02 68.20 3e17 s SER 9 CO 0.38 -1.71 1.83 0.03 0.98 0.00 0.00 173.24 174.75 3e17 h ARG 10 N 2.00 0.00 -0.19 4.02 3.08 -2.02 -2.08 114.38 119.20 3e17 h ARG 10 Ca -0.33 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.55 3e17 h ARG 10 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3e17 h ARG 10 CO 0.42 0.00 -0.58 0.00 -1.07 0.00 0.00 179.97 178.75 3e17 h ALA 11 N 2.09 0.64 -1.82 0.04 0.00 -1.99 -3.44 119.26 114.78 3e17 h ALA 11 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3e17 h ALA 11 Cb 0.20 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.68 3e17 h ALA 11 CO 0.00 0.69 -0.27 1.21 0.00 0.00 0.00 179.25 180.89 3e17 s ASN 12 N -6.94 -0.85 0.00 0.00 3.84 -0.78 -5.02 114.94 105.19 3e17 s ASN 12 Ca -0.08 1.08 0.18 0.00 0.21 0.00 0.00 52.86 54.26 3e17 s ASN 12 Cb 0.11 1.91 0.49 0.00 -0.55 0.00 0.00 41.25 43.21 3e17 s ASN 12 CO 0.85 -0.24 1.40 -0.62 -2.79 0.00 0.00 177.10 175.70 3e17 n GLU 13 N 5.42 2.69 -3.80 0.43 -0.58 -1.22 -2.57 120.64 121.00 3e17 n GLU 13 Ca -0.07 -2.37 -0.37 0.00 -0.42 0.00 0.00 57.16 53.94 3e17 n GLU 13 Cb 0.50 -1.45 -0.13 0.00 -0.57 0.00 0.00 31.44 29.79 3e17 n GLU 13 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3e17 s GLU 14 N -1.05 2.55 0.25 3.49 2.12 -1.26 -4.96 118.70 119.84 3e17 s GLU 14 Ca 0.38 -1.21 -0.04 0.00 0.36 0.00 0.00 54.97 54.45 3e17 s GLU 14 Cb 0.20 -3.37 0.36 0.00 0.26 0.00 0.00 34.13 31.59 3e17 s GLU 14 CO 0.26 -0.65 1.85 1.88 -0.54 0.00 0.00 175.26 178.06 3e17 h TYR 15 N 8.14 0.99 -4.72 5.30 0.05 -2.00 -3.47 116.97 121.28 3e17 h TYR 15 Ca -0.22 0.03 -0.28 0.00 0.05 0.00 0.00 58.73 58.31 3e17 h TYR 15 Cb 1.07 -0.32 0.12 0.00 1.01 0.00 0.00 36.73 38.61 3e17 h TYR 15 CO 0.60 0.48 -0.55 0.41 -1.05 0.00 0.00 178.16 178.06 3e17 n GLY 16 N -1.33 -0.18 2.86 3.88 0.00 -1.26 -5.00 105.19 104.16 3e17 n GLY 16 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3e17 n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3e17 s LEU 17 N -5.58 1.88 -0.22 0.99 2.96 -1.26 -5.12 118.68 112.33 3e17 s LEU 17 Ca 0.25 -0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 3e17 s LEU 17 Cb -0.11 -0.92 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 3e17 s LEU 17 CO 0.55 -0.24 0.10 -0.60 -1.32 0.00 0.00 176.35 174.84 3e17 s ARG 18 N 1.60 3.91 0.19 1.98 3.52 -1.26 -5.09 118.95 123.80 3e17 s ARG 18 Ca -0.03 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 3e17 s ARG 18 Cb -0.17 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 3e17 s ARG 18 CO -0.07 0.06 0.39 -0.51 -0.81 0.00 0.00 175.30 174.36 3e17 s LEU 19 N 0.98 4.23 0.35 -0.88 1.02 -1.26 -5.12 118.68 118.00 3e17 s LEU 19 Ca 0.05 0.42 0.03 0.00 0.02 0.00 0.00 54.13 54.66 3e17 s LEU 19 Cb -0.14 -3.19 -0.04 0.00 0.02 0.00 0.00 46.19 42.85 3e17 s LEU 19 CO 0.03 -0.03 0.11 -0.83 0.02 0.00 0.00 176.35 175.66 3e17 s GLY 20 N -3.06 2.25 0.11 -3.19 0.00 -1.26 -5.11 107.32 97.06 3e17 s GLY 20 Ca 0.39 -1.64 0.07 0.00 0.00 0.00 0.00 44.72 43.54 3e17 s GLY 20 CO 0.28 -1.75 -0.18 -1.35 0.00 0.00 0.00 173.10 170.11 3e17 s SER 21 N -3.49 2.32 0.06 1.64 1.04 -1.26 -4.97 113.70 109.05 3e17 s SER 21 Ca 0.31 -0.72 0.04 0.00 0.48 0.00 0.00 55.95 56.07 3e17 s SER 21 Cb 0.05 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 3e17 s SER 21 CO 0.15 -0.01 -0.13 0.00 0.98 0.00 0.00 173.24 174.24 3e17 s GLN 22 N -2.14 0.75 -0.09 4.02 -2.07 -1.26 -0.65 119.66 118.22 3e17 s GLN 22 Ca 0.07 -0.88 -0.14 0.00 -1.82 0.00 0.00 55.36 52.58 3e17 s GLN 22 Cb -0.09 -0.71 -0.05 0.00 -1.09 0.00 0.00 33.01 31.08 3e17 s GLN 22 CO 0.04 0.15 0.35 0.42 -1.32 0.00 0.00 175.29 174.93 3e17 s ILE 23 N -1.25 5.21 0.13 3.63 -1.09 -1.26 -5.01 121.20 121.55 3e17 s ILE 23 Ca -0.04 0.68 0.01 0.00 -2.23 0.00 0.00 60.65 59.08 3e17 s ILE 23 Cb -0.10 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3e17 s ILE 23 CO 0.02 0.47 -0.02 0.72 -1.23 0.00 0.00 174.94 174.90 3e17 s PHE 24 N -0.23 1.00 -0.60 3.97 -0.71 -1.26 -1.03 117.98 119.11 3e17 s PHE 24 Ca 0.20 -1.01 -0.28 0.00 -1.04 0.00 0.00 56.93 54.80 3e17 s PHE 24 Cb -0.15 -0.58 0.03 0.00 -1.21 0.00 0.00 43.02 41.12 3e17 s PHE 24 CO 0.08 -0.24 1.20 0.08 -1.34 0.00 0.00 175.22 175.00 3e17 s VAL 25 N -3.71 3.99 -0.06 -2.49 1.01 0.08 -4.89 120.40 114.33 3e17 s VAL 25 Ca 0.18 0.83 -0.26 0.00 0.00 0.00 0.00 61.98 62.73 3e17 s VAL 25 Cb 0.06 -4.75 -0.22 0.00 0.00 0.00 0.00 36.38 31.47 3e17 s VAL 25 CO -0.01 -1.40 1.08 0.50 0.00 0.00 0.00 175.10 175.28 3e17 h LYS 26 N 9.60 0.05 -2.64 2.72 1.63 -1.93 0.35 116.57 126.34 3e17 h LYS 26 Ca -0.25 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.40 3e17 h LYS 26 Cb 1.06 0.01 -0.21 0.00 -0.60 0.00 0.00 32.23 32.49 3e17 h LYS 26 CO 1.20 0.73 -0.13 -2.00 -3.45 0.00 0.00 179.45 175.80 3e17 s GLU 27 N -3.45 0.72 -0.13 1.90 2.12 -1.26 -4.68 118.70 113.92 3e17 s GLU 27 Ca -0.17 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.36 3e17 s GLU 27 Cb 0.00 0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.72 3e17 s GLU 27 CO 0.70 -0.18 -0.15 -1.64 -0.54 0.00 0.00 175.26 173.44 3e17 s MET 28 N -0.78 3.27 0.60 4.30 -1.94 -1.26 -5.05 119.30 118.45 3e17 s MET 28 Ca -0.09 -0.74 -0.16 0.00 -1.71 0.00 0.00 55.69 53.00 3e17 s MET 28 Cb -0.03 -2.58 -0.03 0.00 2.01 0.00 0.00 34.83 34.20 3e17 s MET 28 CO 0.04 0.13 1.07 0.95 -0.01 0.00 0.00 175.02 177.20 3e17 s THR 29 N 0.53 3.73 0.47 2.05 -4.23 -1.26 -4.92 115.64 112.00 3e17 s THR 29 Ca -0.10 0.81 0.13 0.00 -1.18 0.00 0.00 61.69 61.36 3e17 s THR 29 Cb -0.16 -3.34 0.23 0.00 1.34 0.00 0.00 72.50 70.57 3e17 s THR 29 CO 0.04 -0.49 2.07 0.03 -0.54 0.00 0.00 174.62 175.73 3e17 h ARG 30 N 0.37 0.11 -0.01 3.99 3.08 -2.02 -3.10 114.38 116.81 3e17 h ARG 30 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3e17 h ARG 30 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3e17 h ARG 30 CO 0.57 0.14 -0.69 0.25 -1.07 0.00 0.00 179.97 179.17 3e17 n THR 31 N -4.45 0.00 -2.04 2.04 -2.24 -1.26 -4.80 114.28 101.53 3e17 n THR 31 Ca -0.02 -0.11 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 3e17 n THR 31 Cb 0.14 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.43 3e17 n THR 31 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3e17 s GLY 32 N -2.75 1.63 0.39 3.38 0.00 -1.17 -4.92 107.32 103.87 3e17 s GLY 32 Ca 0.14 -0.63 0.12 0.00 0.00 0.00 0.00 44.72 44.35 3e17 s GLY 32 CO 0.71 -0.23 1.88 1.41 0.00 0.00 0.00 173.10 176.87 3e17 h LEU 33 N -0.69 0.04 -0.27 0.66 3.38 -1.95 -1.87 115.31 114.61 3e17 h LEU 33 Ca -0.45 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.52 3e17 h LEU 33 Cb 1.29 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3e17 h LEU 33 CO 0.63 0.33 0.15 0.00 0.09 0.00 0.00 178.44 179.64 3e17 h ALA 34 N 1.68 0.34 -0.19 1.53 0.00 -1.94 -0.18 119.26 120.49 3e17 h ALA 34 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3e17 h ALA 34 Cb 0.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3e17 h ALA 34 CO 0.04 -0.23 -0.01 1.15 0.00 0.00 0.00 179.25 180.19 3e17 h THR 35 N 0.31 1.26 -0.95 0.00 2.02 -1.72 -2.94 112.91 110.89 3e17 h THR 35 Ca 0.11 -0.90 0.02 0.00 0.77 0.00 0.00 66.41 66.40 3e17 h THR 35 Cb 0.01 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 3e17 h THR 35 CO -0.06 0.27 0.63 0.50 0.37 0.00 0.00 175.52 177.23 3e17 h LYS 36 N 0.09 1.23 -0.39 6.66 3.64 -1.15 -2.11 116.57 124.54 3e17 h LYS 36 Ca 0.05 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 3e17 h LYS 36 Cb 0.42 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3e17 h LYS 36 CO 0.01 0.81 -0.08 0.22 -2.27 0.00 0.00 179.45 178.15 3e17 h ASP 37 N 1.26 0.64 0.00 4.20 3.58 -1.04 -3.47 116.42 121.60 3e17 h ASP 37 Ca 0.36 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3e17 h ASP 37 Cb -0.10 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.78 3e17 h ASP 37 CO -0.09 0.76 0.00 0.61 -2.88 0.00 0.00 179.24 177.64 3e17 n GLY 38 N -0.59 1.21 0.14 -0.78 0.00 -0.79 -4.88 105.19 99.48 3e17 n GLY 38 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3e17 n GLY 38 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3e17 h ASN 39 N 0.00 0.49 -3.99 1.61 2.35 -1.87 -3.47 115.58 110.70 3e17 h ASN 39 Ca 0.00 -0.91 -0.51 0.00 -0.55 0.00 0.00 56.30 54.34 3e17 h ASN 39 Cb 0.00 -0.16 0.06 0.00 0.05 0.00 0.00 38.32 38.27 3e17 h ASN 39 CO 0.00 1.75 0.49 -0.76 -1.65 0.00 0.00 177.43 177.26 3e17 s LEU 40 N -7.34 4.05 0.02 1.61 1.43 -1.26 -5.07 118.68 112.13 3e17 s LEU 40 Ca -0.19 2.32 0.08 0.00 -1.03 0.00 0.00 54.13 55.31 3e17 s LEU 40 Cb 0.05 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 3e17 s LEU 40 CO 0.80 -0.86 -0.25 -1.00 0.23 0.00 0.00 176.35 175.28 3e17 s HIS 41 N -1.51 2.18 0.28 0.29 3.76 -1.26 -4.97 115.29 114.06 3e17 s HIS 41 Ca 0.62 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 3e17 s HIS 41 Cb -0.29 -1.35 -0.13 0.00 1.11 0.00 0.00 32.58 31.92 3e17 s HIS 41 CO 0.36 0.05 1.31 -1.91 -0.85 0.00 0.00 174.74 173.70 3e17 n GLU 42 N 2.09 1.97 -0.07 1.40 2.13 -1.26 -1.10 120.64 125.79 3e17 n GLU 42 Ca -0.16 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3e17 n GLU 42 Cb 0.52 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.95 3e17 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3e17 n GLY 43 N 1.50 2.15 3.69 8.31 0.00 0.12 -4.98 105.19 115.98 3e17 n GLY 43 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3e17 n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3e17 n ASP 44 N 0.00 2.71 -4.67 1.61 8.00 -0.26 -4.60 116.55 119.35 3e17 n ASP 44 Ca 0.00 1.20 -0.40 0.00 0.71 0.00 0.00 54.79 56.30 3e17 n ASP 44 Cb 0.00 -1.47 -0.06 0.00 -0.02 0.00 0.00 41.12 39.57 3e17 n ASP 44 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3e17 s ILE 45 N -0.97 5.06 -0.04 0.53 -1.09 -1.26 -0.74 121.20 122.69 3e17 s ILE 45 Ca 0.57 1.11 -0.28 0.00 -2.23 0.00 0.00 60.65 59.82 3e17 s ILE 45 Cb -0.58 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.36 3e17 s ILE 45 CO 0.61 0.15 0.91 -0.63 -1.23 0.00 0.00 174.94 174.75 3e17 s ILE 46 N 1.71 4.90 -0.21 2.92 -1.09 -0.20 -0.71 121.20 128.53 3e17 s ILE 46 Ca 0.27 1.89 0.10 0.00 -2.23 0.00 0.00 60.65 60.69 3e17 s ILE 46 Cb -0.16 -4.24 -0.22 0.00 -1.58 0.00 0.00 42.46 36.26 3e17 s ILE 46 CO 0.10 0.15 0.01 0.18 -1.23 0.00 0.00 174.94 174.15 3e17 n LEU 47 N 4.11 1.34 -3.83 2.97 4.77 0.16 -4.41 117.00 122.11 3e17 n LEU 47 Ca 0.05 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 3e17 n LEU 47 Cb 0.51 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 3e17 n LEU 47 CO 0.51 0.68 -0.13 -0.54 -1.33 0.00 0.00 177.39 176.58 3e17 s LYS 48 N -2.51 0.44 -0.21 3.23 1.02 -1.02 -1.34 119.74 119.36 3e17 s LYS 48 Ca -0.20 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 55.65 3e17 s LYS 48 Cb 0.07 0.19 0.04 0.00 -0.52 0.00 0.00 37.83 37.62 3e17 s LYS 48 CO 0.74 -0.10 -0.11 0.42 -0.92 0.00 0.00 175.35 175.38 3e17 s ILE 49 N -0.93 1.74 -1.54 2.17 1.01 -0.47 -1.76 121.20 121.43 3e17 s ILE 49 Ca -0.10 -1.09 -0.07 0.00 0.00 0.00 0.00 60.65 59.39 3e17 s ILE 49 Cb -0.05 -1.80 0.06 0.00 0.01 0.00 0.00 42.46 40.68 3e17 s ILE 49 CO 0.02 0.17 0.51 0.59 0.00 0.00 0.00 174.94 176.23 3e17 n ASN 50 N 4.65 -1.33 0.00 3.58 3.02 0.97 -1.56 115.26 124.58 3e17 n ASN 50 Ca -0.15 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3e17 n ASN 50 Cb 0.46 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.86 3e17 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e17 n GLY 51 N -1.82 2.77 3.65 7.41 0.00 -1.26 -5.03 105.19 110.90 3e17 n GLY 51 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3e17 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e17 s THR 52 N -2.31 5.15 0.31 2.61 2.01 -0.60 -5.04 115.64 117.77 3e17 s THR 52 Ca 0.00 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.48 3e17 s THR 52 Cb 0.00 -3.76 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 3e17 s THR 52 CO 0.00 0.19 1.30 -0.69 -0.69 0.00 0.00 174.62 174.73 3e17 s VAL 53 N 1.68 2.83 -0.70 3.82 1.01 -1.26 -1.37 120.40 126.41 3e17 s VAL 53 Ca 0.20 0.80 0.15 0.00 0.00 0.00 0.00 61.98 63.14 3e17 s VAL 53 Cb -0.15 -3.51 -0.17 0.00 0.00 0.00 0.00 36.38 32.54 3e17 s VAL 53 CO 0.09 0.18 0.65 0.35 0.00 0.00 0.00 175.10 176.36 3e17 n THR 54 N 1.17 0.00 -1.66 3.92 -2.24 -0.45 -4.85 114.28 110.17 3e17 n THR 54 Ca 0.01 -0.14 -0.46 0.00 -2.27 0.00 0.00 64.05 61.19 3e17 n THR 54 Cb 0.42 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 3e17 n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3e17 n GLU 55 N -1.40 2.00 -0.85 -0.78 2.13 -1.26 -0.96 120.64 119.51 3e17 n GLU 55 Ca 0.03 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3e17 n GLU 55 Cb 0.25 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.55 3e17 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3e17 n ASN 56 N 2.64 -3.02 -4.76 4.31 3.02 0.18 -4.95 115.26 112.68 3e17 n ASN 56 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 3e17 n ASN 56 Cb 0.29 -2.31 -0.06 0.00 -0.61 0.00 0.00 39.78 37.09 3e17 n ASN 56 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3e17 s MET 57 N -1.15 4.74 0.56 3.52 -2.45 -0.14 -4.85 119.30 119.54 3e17 s MET 57 Ca 0.00 1.37 -0.20 0.00 -1.25 0.00 0.00 55.69 55.61 3e17 s MET 57 Cb 0.00 -3.29 -0.05 0.00 1.25 0.00 0.00 34.83 32.75 3e17 s MET 57 CO 0.00 0.50 1.19 -1.54 1.05 0.00 0.00 175.02 176.21 3e17 s SER 58 N -1.01 5.45 0.22 1.11 1.04 -1.26 -4.81 113.70 114.44 3e17 s SER 58 Ca 0.40 2.34 -0.09 0.00 0.48 0.00 0.00 55.95 59.08 3e17 s SER 58 Cb -0.25 -2.60 0.33 0.00 0.10 0.00 0.00 66.02 63.61 3e17 s SER 58 CO 0.30 -1.42 1.71 0.25 0.98 0.00 0.00 173.24 175.06 3e17 h LEU 59 N 1.13 0.03 -0.28 2.42 5.85 -1.97 0.61 115.31 123.10 3e17 h LEU 59 Ca -0.50 0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.39 3e17 h LEU 59 Cb 1.28 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 3e17 h LEU 59 CO 0.56 0.02 -0.06 0.74 -0.34 0.00 0.00 178.44 179.35 3e17 h THR 60 N 0.28 0.72 -0.55 1.05 2.02 -1.99 0.30 112.91 114.75 3e17 h THR 60 Ca 0.34 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 3e17 h THR 60 Cb 0.51 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3e17 h THR 60 CO -0.42 0.00 0.24 0.44 0.37 0.00 0.00 175.52 176.15 3e17 h ASP 61 N 0.01 0.74 -0.77 4.18 3.32 -1.77 -1.88 116.42 120.26 3e17 h ASP 61 Ca 0.14 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.07 3e17 h ASP 61 Cb 0.21 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3e17 h ASP 61 CO -0.29 0.69 0.48 0.00 -1.72 0.00 0.00 179.24 178.40 3e17 h ALA 62 N 1.08 1.02 -0.49 3.45 0.00 -0.60 -1.94 119.26 121.78 3e17 h ALA 62 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3e17 h ALA 62 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3e17 h ALA 62 CO -0.02 0.25 0.14 0.00 0.00 0.00 0.00 179.25 179.62 3e17 h ARG 63 N 0.91 0.73 -0.58 0.00 3.08 -0.74 -1.69 114.38 116.09 3e17 h ARG 63 Ca 0.32 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 3e17 h ARG 63 Cb 0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3e17 h ARG 63 CO -0.13 0.65 0.24 0.87 -1.07 0.00 0.00 179.97 180.53 3e17 h LYS 64 N 0.71 0.84 -0.24 0.04 1.57 -0.60 -1.66 116.57 117.23 3e17 h LYS 64 Ca 0.16 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3e17 h LYS 64 Cb 0.24 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3e17 h LYS 64 CO -0.01 0.68 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.18 3e17 h LEU 65 N 0.83 0.50 -0.39 2.94 3.38 -0.74 -1.48 115.31 120.35 3e17 h LEU 65 Ca 0.20 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3e17 h LEU 65 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3e17 h LEU 65 CO -0.02 0.78 -0.12 0.40 0.09 0.00 0.00 178.44 179.57 3e17 h ILE 66 N 0.42 1.28 0.00 1.22 2.04 -1.12 -2.77 117.51 118.57 3e17 h ILE 66 Ca 0.05 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 3e17 h ILE 66 Cb 0.75 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3e17 h ILE 66 CO 0.06 0.41 -0.07 -0.33 0.00 0.00 0.00 178.15 178.21 3e17 h GLU 67 N 0.57 0.00 0.00 2.37 4.39 -1.02 -2.97 114.58 117.93 3e17 h GLU 67 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3e17 h GLU 67 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3e17 h GLU 67 CO 0.04 0.07 -0.31 1.63 -1.16 0.00 0.00 179.01 179.29 3e17 n LYS 68 N -4.09 0.15 0.31 2.33 4.01 -0.58 -4.06 118.16 116.23 3e17 n LYS 68 Ca -0.03 0.08 0.19 0.00 -0.51 0.00 0.00 58.31 58.04 3e17 n LYS 68 Cb 0.16 -1.63 1.04 0.00 -0.51 0.00 0.00 35.03 34.09 3e17 n LYS 68 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3e17 h SER 69 N 0.00 0.00 -6.52 4.39 4.64 -1.32 -3.47 113.55 111.27 3e17 h SER 69 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3e17 h SER 69 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 3e17 h SER 69 CO 0.00 0.01 -0.92 0.54 -0.87 0.00 0.00 176.83 175.59 3e17 n ARG 70 N -3.45 -2.24 -0.91 4.77 1.74 -1.26 -2.29 116.66 113.02 3e17 n ARG 70 Ca -0.03 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3e17 n ARG 70 Cb 0.10 -4.14 0.00 0.00 -1.02 0.00 0.00 32.46 27.40 3e17 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3e17 n GLY 71 N -1.96 0.92 2.93 -0.13 0.00 -1.26 -4.99 105.19 100.69 3e17 n GLY 71 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3e17 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e17 s LYS 72 N -0.09 1.58 -0.33 1.61 2.20 -0.97 -5.10 119.74 118.65 3e17 s LYS 72 Ca 0.00 -0.92 0.01 0.00 -0.36 0.00 0.00 55.97 54.70 3e17 s LYS 72 Cb 0.00 -2.52 0.08 0.00 -1.51 0.00 0.00 37.83 33.88 3e17 s LYS 72 CO 0.00 -0.58 0.03 -1.17 -0.36 0.00 0.00 175.35 173.27 3e17 s LEU 73 N 1.44 4.34 -0.35 5.43 2.96 -1.26 -4.71 118.68 126.53 3e17 s LEU 73 Ca -0.05 -1.72 -0.15 0.00 -0.22 0.00 0.00 54.13 51.99 3e17 s LEU 73 Cb -0.18 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3e17 s LEU 73 CO -0.06 -0.34 0.33 -1.58 -1.32 0.00 0.00 176.35 173.37 3e17 s GLN 74 N 1.09 3.46 0.02 1.98 2.00 -1.26 -4.99 119.66 121.97 3e17 s GLN 74 Ca 0.02 -0.56 0.01 0.00 -2.00 0.00 0.00 55.36 52.83 3e17 s GLN 74 Cb -0.20 -3.83 -0.04 0.00 0.80 0.00 0.00 33.01 29.74 3e17 s GLN 74 CO -0.05 -0.54 0.08 -0.51 -0.50 0.00 0.00 175.29 173.77 3e17 s LEU 75 N 1.91 3.88 -0.08 3.68 1.43 -1.26 -0.02 118.68 128.22 3e17 s LEU 75 Ca 0.10 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3e17 s LEU 75 Cb -0.17 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3e17 s LEU 75 CO 0.11 0.24 -0.21 -0.69 0.23 0.00 0.00 176.35 176.04 3e17 s VAL 76 N -1.25 2.40 0.01 -1.59 1.01 -0.72 -4.98 120.40 115.28 3e17 s VAL 76 Ca 0.25 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3e17 s VAL 76 Cb -0.12 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3e17 s VAL 76 CO 0.16 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 175.00 3e17 s VAL 77 N -0.04 1.10 -0.03 2.92 1.01 -1.26 0.35 120.40 124.45 3e17 s VAL 77 Ca -0.06 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 3e17 s VAL 77 Cb -0.15 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 3e17 s VAL 77 CO 0.05 0.21 1.39 -0.22 0.00 0.00 0.00 175.10 176.53 3e17 s LEU 78 N -0.60 4.30 -0.34 3.92 2.96 0.11 -4.88 118.68 124.16 3e17 s LEU 78 Ca 0.04 2.05 -0.01 0.00 -0.22 0.00 0.00 54.13 56.00 3e17 s LEU 78 Cb -0.06 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.21 3e17 s LEU 78 CO 0.00 -0.73 0.20 -0.13 -1.32 0.00 0.00 176.35 174.37 3e17 s ARG 79 N 2.66 0.48 0.00 1.98 1.81 -1.26 -4.63 118.95 120.00 3e17 s ARG 79 Ca 0.63 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 53.48 3e17 s ARG 79 Cb -0.30 -1.24 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 3e17 s ARG 79 CO 0.25 -1.18 0.00 -0.25 -0.68 0.00 0.00 175.30 173.44