#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e7n n ASN -1 N 0.00 -0.69 -4.77 -1.43 3.02 -1.26 -5.13 115.26 105.00 1e7n n ASN -1 Ca 0.00 -2.53 -0.40 0.00 -0.03 0.00 0.00 54.58 51.62 1e7n n ASN -1 Cb 0.00 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1e7n n ASN -1 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1e7n s PRO 1 N -0.15 3.90 -0.18 3.52 0.02 -1.26 -4.71 135.00 136.14 1e7n s PRO 1 Ca 0.33 2.23 -0.07 0.00 0.02 0.00 0.00 61.00 63.51 1e7n s PRO 1 Cb 0.08 -2.73 0.08 0.00 0.02 0.00 0.00 34.50 31.94 1e7n s PRO 1 CO -0.17 -0.57 0.39 0.21 -0.33 0.00 0.00 177.00 176.53 1e7n s LYS 2 N -2.29 0.31 0.03 5.54 2.20 -0.04 -4.28 119.74 121.20 1e7n s LYS 2 Ca 0.58 0.95 0.02 0.00 -0.36 0.00 0.00 55.97 57.15 1e7n s LYS 2 Cb -0.40 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 1e7n s LYS 2 CO 0.51 -0.24 -0.06 -1.50 -0.36 0.00 0.00 175.35 173.70 1e7n s ILE 3 N 2.35 0.40 -0.07 5.43 2.07 -0.58 -0.95 121.20 129.86 1e7n s ILE 3 Ca -0.03 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 1e7n s ILE 3 Cb -0.11 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 42.03 1e7n s ILE 3 CO -0.12 -0.31 -0.08 -0.63 -1.91 0.00 0.00 174.94 171.90 1e7n s ILE 4 N -1.12 0.85 -0.18 2.00 1.01 0.40 -0.83 121.20 123.33 1e7n s ILE 4 Ca -0.09 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 1e7n s ILE 4 Cb -0.08 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1e7n s ILE 4 CO 0.00 0.30 0.07 -0.63 0.00 0.00 0.00 174.94 174.69 1e7n s ILE 5 N 1.03 4.88 -0.10 2.92 -1.09 -0.26 -0.99 121.20 127.59 1e7n s ILE 5 Ca -0.08 -0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.31 1e7n s ILE 5 Cb -0.14 -3.20 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 1e7n s ILE 5 CO -0.00 0.47 0.00 -0.36 -1.23 0.00 0.00 174.94 173.82 1e7n s PHE 6 N 0.27 3.15 0.45 3.97 0.40 0.23 -0.76 117.98 125.69 1e7n s PHE 6 Ca 0.04 0.12 0.32 0.00 -0.60 0.00 0.00 56.93 56.82 1e7n s PHE 6 Cb -0.12 -1.83 1.76 0.00 0.51 0.00 0.00 43.02 43.33 1e7n s PHE 6 CO -0.00 0.38 1.98 0.93 0.70 0.00 0.00 175.22 179.21 1e7n h GLU 7 N 5.48 0.00 -4.54 0.44 4.39 -0.31 0.25 114.58 120.30 1e7n h GLU 7 Ca -0.47 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.00 1e7n h GLU 7 Cb 1.19 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.69 1e7n h GLU 7 CO 0.57 0.00 -0.61 -0.65 -1.16 0.00 0.00 179.01 177.15 1e7n s GLN 8 N -3.94 1.15 0.92 2.33 -0.21 -0.88 -3.50 119.66 115.53 1e7n s GLN 8 Ca -0.04 -1.58 -0.12 0.00 0.02 0.00 0.00 55.36 53.64 1e7n s GLN 8 Cb 0.09 0.27 0.14 0.00 1.00 0.00 0.00 33.01 34.51 1e7n s GLN 8 CO 0.29 -0.37 1.10 -1.83 -2.12 0.00 0.00 175.29 172.36 1e7n s GLU 9 N -4.13 1.07 -1.98 2.91 -1.05 -1.20 -2.44 118.70 111.87 1e7n s GLU 9 Ca 0.36 0.63 0.00 0.00 -0.15 0.00 0.00 54.97 55.81 1e7n s GLU 9 Cb 0.07 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.96 1e7n s GLU 9 CO 0.10 -2.32 0.00 0.09 0.95 0.00 0.00 175.26 174.08 1e7n n ASN 10 N -3.91 -5.74 -3.58 0.83 3.02 0.56 -2.68 115.26 103.76 1e7n n ASN 10 Ca 0.06 0.22 -0.22 0.00 -0.03 0.00 0.00 54.58 54.61 1e7n n ASN 10 Cb 0.56 -4.90 0.08 0.00 -0.61 0.00 0.00 39.78 34.91 1e7n n ASN 10 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1e7n n PHE 11 N -3.28 -2.64 -4.14 3.10 3.72 -1.24 -5.01 117.46 107.97 1e7n n PHE 11 Ca -0.23 0.99 -0.22 0.00 -0.05 0.00 0.00 57.45 57.93 1e7n n PHE 11 Cb 0.69 -4.97 -0.05 0.00 -0.94 0.00 0.00 39.48 34.20 1e7n n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1e7n s GLN 12 N -6.07 2.66 0.86 -1.08 -1.52 -1.09 -5.03 119.66 108.40 1e7n s GLN 12 Ca 0.42 -1.24 0.00 0.00 -1.95 0.00 0.00 55.36 52.59 1e7n s GLN 12 Cb -0.19 -2.40 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 1e7n s GLN 12 CO 0.74 0.33 0.00 0.41 -0.25 0.00 0.00 175.29 176.52 1e7n n GLY 13 N -1.11 -2.13 3.75 3.09 0.00 -1.26 -2.08 105.19 105.45 1e7n n GLY 13 Ca -0.06 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1e7n n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1e7n s HIS 14 N -0.13 2.29 0.28 1.61 3.76 -1.26 -4.60 115.29 117.24 1e7n s HIS 14 Ca 0.00 1.43 0.11 0.00 -0.15 0.00 0.00 55.06 56.46 1e7n s HIS 14 Cb 0.00 -3.69 -0.05 0.00 1.11 0.00 0.00 32.58 29.95 1e7n s HIS 14 CO 0.00 -2.70 -0.14 -1.54 -0.85 0.00 0.00 174.74 169.52 1e7n s SER 15 N -1.19 3.90 -0.18 1.40 1.04 -1.26 0.22 113.70 117.63 1e7n s SER 15 Ca 0.75 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 56.23 1e7n s SER 15 Cb -0.37 -0.47 0.08 0.00 0.10 0.00 0.00 66.02 65.36 1e7n s SER 15 CO 0.42 0.02 0.23 -1.00 0.98 0.00 0.00 173.24 173.90 1e7n s HIS 16 N -2.45 -0.32 -0.06 5.02 3.76 0.06 -4.95 115.29 116.35 1e7n s HIS 16 Ca 0.30 0.44 -0.14 0.00 -0.15 0.00 0.00 55.06 55.51 1e7n s HIS 16 Cb -0.05 -0.27 -0.05 0.00 1.11 0.00 0.00 32.58 33.32 1e7n s HIS 16 CO 0.17 -0.52 0.37 -2.00 -0.85 0.00 0.00 174.74 171.91 1e7n s GLU 17 N 2.35 4.00 0.10 1.40 2.12 -1.26 -1.10 118.70 126.31 1e7n s GLU 17 Ca 0.06 0.31 0.06 0.00 0.36 0.00 0.00 54.97 55.76 1e7n s GLU 17 Cb -0.15 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 1e7n s GLU 17 CO -0.11 0.54 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.49 1e7n s LEU 18 N -0.55 2.35 0.00 2.70 1.43 -0.01 -4.99 118.68 119.60 1e7n s LEU 18 Ca 0.22 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1e7n s LEU 18 Cb -0.15 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1e7n s LEU 18 CO 0.10 -0.10 0.34 -1.54 0.23 0.00 0.00 176.35 175.39 1e7n n SER 19 N 0.86 0.15 -3.23 2.29 3.41 -1.26 -1.53 113.62 114.32 1e7n n SER 19 Ca -0.18 -1.06 -0.07 0.00 -0.26 0.00 0.00 58.87 57.30 1e7n n SER 19 Cb 0.56 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1e7n n SER 19 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1e7n s GLY 20 N -0.06 0.20 0.42 5.00 0.00 -1.26 -4.55 107.32 107.08 1e7n s GLY 20 Ca 0.00 -0.54 -0.24 0.00 0.00 0.00 0.00 44.72 43.94 1e7n s GLY 20 CO 0.00 0.18 0.87 -1.05 0.00 0.00 0.00 173.10 173.10 1e7n n PRO 21 N -0.54 1.08 -3.52 2.90 -0.02 -1.26 -4.77 135.00 128.87 1e7n n PRO 21 Ca -0.07 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.58 1e7n n PRO 21 Cb 0.60 -1.88 -0.14 0.00 -0.02 0.00 0.00 33.50 32.06 1e7n n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1e7n h PRO 23 N 8.36 0.00 -1.97 0.00 0.13 -1.89 -2.44 132.00 134.19 1e7n h PRO 23 Ca -0.17 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.73 1e7n h PRO 23 Cb 1.10 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.92 1e7n h PRO 23 CO 0.33 0.00 -0.56 1.21 -0.23 0.00 0.00 178.00 178.75 1e7n s ASN 24 N -5.63 0.86 0.57 1.44 3.84 -1.25 0.27 114.94 115.03 1e7n s ASN 24 Ca 0.01 -0.33 0.26 0.00 0.21 0.00 0.00 52.86 53.01 1e7n s ASN 24 Cb 0.09 0.85 1.57 0.00 -0.55 0.00 0.00 41.25 43.21 1e7n s ASN 24 CO 0.53 -0.35 2.10 -0.07 -2.79 0.00 0.00 177.10 176.53 1e7n h LEU 25 N 8.21 0.00 -2.54 3.21 4.07 -1.04 -0.91 115.31 126.32 1e7n h LEU 25 Ca -0.14 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1e7n h LEU 25 Cb 1.12 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 1e7n h LEU 25 CO 0.29 0.00 -0.01 0.07 -1.08 0.00 0.00 178.44 177.71 1e7n h LYS 26 N 0.00 0.00 0.00 1.13 2.10 -1.83 -0.29 116.57 117.68 1e7n h LYS 26 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 1e7n h LYS 26 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1e7n h LYS 26 CO -0.00 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 177.85 1e7n n GLU 27 N -3.15 0.06 0.00 0.07 -0.58 -0.35 -1.23 120.64 115.47 1e7n n GLU 27 Ca -0.02 0.18 0.12 0.00 -0.42 0.00 0.00 57.16 57.02 1e7n n GLU 27 Cb 0.14 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.59 1e7n n GLU 27 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1e7n n THR 28 N -1.45 0.00 -0.60 2.62 -2.24 -0.12 -4.93 114.28 107.56 1e7n n THR 28 Ca 0.05 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1e7n n THR 28 Cb 0.19 1.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1e7n n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e7n n GLY 28 N 1.37 0.76 3.68 3.38 0.00 -0.36 -4.98 105.19 109.04 1e7n n GLY 28 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1e7n n GLY 28 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1e7n s MET 29 N -0.40 4.25 -0.07 1.61 -2.45 -1.22 -4.88 119.30 116.14 1e7n s MET 29 Ca 0.00 2.05 -0.02 0.00 -1.25 0.00 0.00 55.69 56.47 1e7n s MET 29 Cb 0.00 -3.65 -0.26 0.00 1.25 0.00 0.00 34.83 32.17 1e7n s MET 29 CO 0.00 -0.65 0.57 0.93 1.05 0.00 0.00 175.02 176.92 1e7n h GLU 30 N 8.20 0.21 -2.03 4.11 4.39 -1.93 -3.38 114.58 124.15 1e7n h GLU 30 Ca -0.38 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 58.89 1e7n h GLU 30 Cb 1.18 0.14 -0.19 0.00 -0.10 0.00 0.00 28.75 29.77 1e7n h GLU 30 CO 0.92 1.04 0.17 -1.59 -1.16 0.00 0.00 179.01 178.39 1e7n s LYS 31 N -2.58 1.04 -0.83 2.33 -2.85 -1.26 -5.08 119.74 110.50 1e7n s LYS 31 Ca -0.15 0.27 -0.18 0.00 -1.00 0.00 0.00 55.97 54.91 1e7n s LYS 31 Cb 0.07 0.49 0.14 0.00 -2.06 0.00 0.00 37.83 36.47 1e7n s LYS 31 CO 0.81 -0.32 0.98 0.00 0.10 0.00 0.00 175.35 176.92 1e7n s ALA 32 N -1.15 3.50 0.08 0.59 0.00 -1.26 -4.13 121.76 119.39 1e7n s ALA 32 Ca -0.11 -2.72 -0.14 0.00 0.00 0.00 0.00 51.96 49.00 1e7n s ALA 32 Cb -0.00 -3.85 -0.23 0.00 0.00 0.00 0.00 23.12 19.04 1e7n s ALA 32 CO 0.10 -2.73 1.19 0.78 0.00 0.00 0.00 175.76 175.10 1e7n h GLY 33 N 9.90 0.78 -2.91 0.00 0.00 -0.55 -3.45 103.07 106.83 1e7n h GLY 33 Ca 0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 47.33 45.97 1e7n h GLY 33 CO 1.04 1.21 0.09 -1.35 0.00 0.00 0.00 176.54 177.53 1e7n s SER 34 N -7.29 -0.39 -0.01 0.19 1.04 -0.96 -3.28 113.70 103.00 1e7n s SER 34 Ca -0.10 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.15 1e7n s SER 34 Cb 0.07 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 1e7n s SER 34 CO 0.92 -0.96 -0.09 -0.69 0.98 0.00 0.00 173.24 173.40 1e7n s VAL 35 N -3.80 0.75 -0.14 5.02 1.01 -0.20 -0.60 120.40 122.44 1e7n s VAL 35 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1e7n s VAL 35 Cb -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.76 1e7n s VAL 35 CO -0.10 0.22 -0.14 -0.22 0.00 0.00 0.00 175.10 174.86 1e7n s LEU 36 N -0.05 1.64 -0.36 3.92 2.96 -0.16 -0.07 118.68 126.55 1e7n s LEU 36 Ca 0.01 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.37 1e7n s LEU 36 Cb -0.06 -1.13 0.03 0.00 0.50 0.00 0.00 46.19 45.54 1e7n s LEU 36 CO -0.00 -0.05 0.17 -0.69 -1.32 0.00 0.00 176.35 174.46 1e7n s VAL 37 N 1.42 4.32 -0.01 1.68 1.01 -0.47 -0.45 120.40 127.90 1e7n s VAL 37 Ca 0.03 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 1e7n s VAL 37 Cb -0.13 -3.42 -0.34 0.00 0.00 0.00 0.00 36.38 32.49 1e7n s VAL 37 CO -0.09 -0.22 0.91 1.56 0.00 0.00 0.00 175.10 177.27 1e7n h GLN 38 N 8.37 0.44 -2.37 2.72 1.08 -1.34 -2.34 115.11 121.67 1e7n h GLN 38 Ca -0.25 -0.76 -0.21 0.00 -1.45 0.00 0.00 58.65 55.99 1e7n h GLN 38 Cb 1.10 0.28 -0.32 0.00 -0.05 0.00 0.00 27.48 28.49 1e7n h GLN 38 CO 0.65 1.36 -0.52 0.00 -0.95 0.00 0.00 178.83 179.37 1e7n s ALA 39 N -2.54 -0.73 0.00 3.87 0.00 -0.84 -4.90 121.76 116.62 1e7n s ALA 39 Ca -0.12 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1e7n s ALA 39 Cb 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.77 1e7n s ALA 39 CO 0.90 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1e7n n GLY 40 N 5.35 5.72 3.91 0.00 0.00 -1.26 -0.86 105.19 118.05 1e7n n GLY 40 Ca -0.05 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.01 1e7n n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1e7n s PRO 41 N 1.70 3.15 0.28 1.61 0.04 -1.26 -4.91 135.00 135.61 1e7n s PRO 41 Ca 0.00 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.24 1e7n s PRO 41 Cb 0.00 -2.28 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1e7n s PRO 41 CO 0.00 -0.56 -0.07 -1.58 0.04 0.00 0.00 177.00 174.83 1e7n s TRP 42 N -2.95 1.99 -0.07 0.56 0.52 0.12 -1.05 118.94 118.07 1e7n s TRP 42 Ca 0.52 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.98 1e7n s TRP 42 Cb -0.11 -1.12 0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1e7n s TRP 42 CO 0.46 0.32 -0.05 0.54 0.02 0.00 0.00 176.95 178.24 1e7n s VAL 43 N -2.96 0.69 0.08 4.03 0.11 -0.42 -0.45 120.40 121.48 1e7n s VAL 43 Ca 0.29 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1e7n s VAL 43 Cb 0.03 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1e7n s VAL 43 CO 0.12 0.28 0.08 -0.83 -3.33 0.00 0.00 175.10 171.43 1e7n s GLY 44 N 1.27 2.01 0.12 6.54 0.00 0.65 -1.92 107.32 115.99 1e7n s GLY 44 Ca -0.05 -1.02 0.10 0.00 0.00 0.00 0.00 44.72 43.75 1e7n s GLY 44 CO -0.02 -1.00 -0.24 -0.19 0.00 0.00 0.00 173.10 171.64 1e7n s TYR 45 N -1.41 2.08 0.24 1.90 1.51 0.69 -0.57 117.35 121.79 1e7n s TYR 45 Ca 0.29 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1e7n s TYR 45 Cb -0.12 -1.13 0.28 0.00 -0.11 0.00 0.00 41.96 40.88 1e7n s TYR 45 CO 0.22 0.27 1.69 1.49 -1.11 0.00 0.00 175.55 178.12 1e7n h GLU 46 N 3.99 0.72 -6.19 -0.62 4.81 -1.21 -0.58 114.58 115.51 1e7n h GLU 46 Ca -0.49 -0.25 -0.50 0.00 -0.13 0.00 0.00 59.36 57.99 1e7n h GLU 46 Cb 1.17 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1e7n h GLU 46 CO 0.39 0.83 -0.45 -0.65 -0.73 0.00 0.00 179.01 178.41 1e7n s GLN 47 N -4.72 2.67 1.00 1.92 -0.21 -0.63 -3.48 119.66 116.21 1e7n s GLN 47 Ca -0.09 -1.34 -0.12 0.00 0.02 0.00 0.00 55.36 53.83 1e7n s GLN 47 Cb 0.14 -2.44 0.19 0.00 1.00 0.00 0.00 33.01 31.89 1e7n s GLN 47 CO 0.82 0.06 1.08 0.00 -2.12 0.00 0.00 175.29 175.13 1e7n s ALA 48 N -2.33 0.84 -1.47 6.09 0.00 -1.26 -3.51 121.76 120.11 1e7n s ALA 48 Ca 0.41 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1e7n s ALA 48 Cb -0.05 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.90 1e7n s ALA 48 CO 0.26 -2.93 0.92 0.09 0.00 0.00 0.00 175.76 174.11 1e7n n ASN 49 N -4.28 -5.28 -3.92 0.00 4.13 0.14 -2.65 115.26 103.41 1e7n n ASN 49 Ca 0.06 -0.61 -0.27 0.00 1.68 0.00 0.00 54.58 55.44 1e7n n ASN 49 Cb 0.55 -4.21 0.00 0.00 -1.54 0.00 0.00 39.78 34.58 1e7n n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1e7n s LYS 51 N -6.47 1.59 0.63 0.00 -0.14 -1.08 -5.02 119.74 109.25 1e7n s LYS 51 Ca 0.25 -1.64 0.00 0.00 -1.36 0.00 0.00 55.97 53.22 1e7n s LYS 51 Cb -0.13 -1.79 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 1e7n s LYS 51 CO 0.86 0.36 0.00 0.41 -0.76 0.00 0.00 175.35 176.22 1e7n n GLY 52 N -0.16 -1.81 3.74 -3.33 0.00 -1.26 -1.60 105.19 100.76 1e7n n GLY 52 Ca -0.09 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1e7n n GLY 52 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1e7n n GLU 53 N 0.00 2.57 -3.87 1.61 2.13 -1.26 -4.64 120.64 117.18 1e7n n GLU 53 Ca 0.00 0.91 -0.29 0.00 0.66 0.00 0.00 57.16 58.45 1e7n n GLU 53 Cb 0.00 -2.65 -0.04 0.00 0.27 0.00 0.00 31.44 29.02 1e7n n GLU 53 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1e7n s GLN 54 N -1.00 3.47 -0.06 5.31 -0.21 -1.26 -1.11 119.66 124.80 1e7n s GLN 54 Ca 0.61 -0.46 -0.02 0.00 0.02 0.00 0.00 55.36 55.51 1e7n s GLN 54 Cb -0.51 -2.96 0.04 0.00 1.00 0.00 0.00 33.01 30.57 1e7n s GLN 54 CO 0.54 0.53 0.10 -0.06 -2.12 0.00 0.00 175.29 174.28 1e7n s PHE 55 N -1.67 -0.05 -0.10 0.91 0.08 0.26 -4.96 117.98 112.45 1e7n s PHE 55 Ca 0.36 0.40 -0.22 0.00 0.12 0.00 0.00 56.93 57.59 1e7n s PHE 55 Cb -0.12 -0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1e7n s PHE 55 CO 0.28 -0.21 0.63 0.08 -0.10 0.00 0.00 175.22 175.90 1e7n s VAL 56 N 2.06 5.08 -0.20 -0.44 1.01 -1.26 -0.25 120.40 126.40 1e7n s VAL 56 Ca 0.02 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.27 1e7n s VAL 56 Cb -0.12 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1e7n s VAL 56 CO -0.04 0.24 -0.13 -0.36 0.00 0.00 0.00 175.10 174.81 1e7n s PHE 57 N 0.96 2.88 0.34 5.22 0.08 0.41 -4.96 117.98 122.90 1e7n s PHE 57 Ca 0.33 -1.44 0.08 0.00 0.12 0.00 0.00 56.93 56.02 1e7n s PHE 57 Cb -0.17 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1e7n s PHE 57 CO 0.15 -0.72 0.23 -1.21 -0.10 0.00 0.00 175.22 173.56 1e7n s GLU 58 N 1.35 2.56 -0.07 0.44 2.02 -1.26 0.16 118.70 123.89 1e7n s GLU 58 Ca 0.04 -1.41 -0.37 0.00 0.02 0.00 0.00 54.97 53.25 1e7n s GLU 58 Cb -0.14 -2.34 -0.15 0.00 0.10 0.00 0.00 34.13 31.60 1e7n s GLU 58 CO -0.09 0.10 1.61 1.17 0.02 0.00 0.00 175.26 178.07 1e7n n LYS 59 N -1.27 1.43 -1.13 1.61 4.81 -1.26 -4.61 118.16 117.73 1e7n n LYS 59 Ca -0.02 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1e7n n LYS 59 Cb 0.60 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.43 1e7n n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1e7n n GLY 60 N 3.57 0.47 3.43 3.14 0.00 -0.88 -4.98 105.19 109.93 1e7n n GLY 60 Ca 0.22 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 1e7n n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1e7n s GLU 61 N -2.00 2.14 -0.57 1.61 2.02 -1.26 -1.37 118.70 119.26 1e7n s GLU 61 Ca 0.00 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.11 1e7n s GLU 61 Cb 0.00 -2.19 0.17 0.00 0.10 0.00 0.00 34.13 32.22 1e7n s GLU 61 CO 0.00 0.56 0.43 0.66 0.02 0.00 0.00 175.26 176.93 1e7n n TYR 62 N 1.84 1.38 0.20 1.61 4.02 0.90 -5.00 117.16 122.11 1e7n n TYR 62 Ca -0.16 -3.86 0.18 0.00 -0.01 0.00 0.00 57.90 54.05 1e7n n TYR 62 Cb 0.52 -0.23 0.83 0.00 -0.02 0.00 0.00 39.34 40.44 1e7n n TYR 62 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1e7n h PRO 63 N 5.46 0.00 -3.47 -0.72 0.13 -1.93 -0.50 132.00 130.97 1e7n h PRO 63 Ca 0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.27 1e7n h PRO 63 Cb 0.82 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.82 1e7n h PRO 63 CO 0.56 0.00 -0.13 0.50 -0.23 0.00 0.00 178.00 178.70 1e7n s ARG 64 N -4.54 1.02 0.00 0.86 3.52 -1.26 -0.32 118.95 118.22 1e7n s ARG 64 Ca -0.04 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1e7n s ARG 64 Cb 0.14 0.44 0.00 0.00 -1.56 0.00 0.00 34.95 33.98 1e7n s ARG 64 CO 0.51 -0.38 0.53 -2.67 -0.81 0.00 0.00 175.30 172.47 1e7n n TRP 65 N -0.18 0.00 -1.12 5.12 4.27 -1.25 -0.77 117.44 123.52 1e7n n TRP 65 Ca -0.16 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.51 1e7n n TRP 65 Cb 0.63 -0.11 0.22 0.00 -1.36 0.00 0.00 31.31 30.69 1e7n n TRP 65 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 1e7n n ASP 66 N -1.03 3.21 -0.01 -0.67 5.75 -1.26 -4.19 116.55 118.35 1e7n n ASP 66 Ca 0.00 -3.21 0.09 0.00 -0.01 0.00 0.00 54.79 51.66 1e7n n ASP 66 Cb 0.04 -0.54 -0.14 0.00 -1.03 0.00 0.00 41.12 39.46 1e7n n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1e7n n SER 67 N -0.86 0.92 -0.01 -1.12 7.64 0.06 -4.62 113.62 115.63 1e7n n SER 67 Ca 0.22 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1e7n n SER 67 Cb 0.86 1.77 -0.02 0.00 -1.01 0.00 0.00 64.21 65.81 1e7n n SER 67 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1e7n n TRP 68 N -2.08 0.00 -4.23 1.43 2.14 -1.26 -5.03 117.44 108.41 1e7n n TRP 68 Ca -0.03 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.44 1e7n n TRP 68 Cb 0.45 -0.08 -0.02 0.00 -0.81 0.00 0.00 31.31 30.85 1e7n n TRP 68 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1e7n n THR 69 N -1.83 0.00 0.00 -1.67 5.66 -1.26 -4.67 114.28 110.51 1e7n n THR 69 Ca -0.02 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.16 1e7n n THR 69 Cb 0.31 0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1e7n n THR 69 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1e7n n SER 70 N -1.36 0.00 0.00 1.09 7.64 -1.26 -4.58 113.62 115.15 1e7n n SER 70 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1e7n n SER 70 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1e7n n SER 70 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1e7n n ARG 71 N 8.88 0.00 -3.66 1.43 1.74 -1.26 -5.00 116.66 118.80 1e7n n ARG 71 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1e7n n ARG 71 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1e7n n ARG 71 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1e7n s THR 72 N 0.00 0.00 -0.23 0.55 -1.32 -1.26 -5.04 115.64 108.34 1e7n s THR 72 Ca 0.00 -0.40 0.04 0.00 -1.21 0.00 0.00 61.69 60.13 1e7n s THR 72 Cb 0.00 -1.64 -0.05 0.00 -1.51 0.00 0.00 72.50 69.31 1e7n s THR 72 CO 0.00 0.00 0.21 -0.90 -2.21 0.00 0.00 174.62 171.72 1e7n n ASP 73 N -0.39 0.25 -4.76 8.08 5.75 -1.26 -5.02 116.55 119.20 1e7n n ASP 73 Ca -0.07 -0.62 -0.41 0.00 -0.01 0.00 0.00 54.79 53.67 1e7n n ASP 73 Cb 0.61 0.97 -0.01 0.00 -1.03 0.00 0.00 41.12 41.66 1e7n n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1e7n s SER 74 N -1.40 6.36 -0.16 -1.12 0.15 -1.26 -4.71 113.70 111.56 1e7n s SER 74 Ca 0.02 2.98 -0.05 0.00 0.70 0.00 0.00 55.95 59.60 1e7n s SER 74 Cb 0.03 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.76 1e7n s SER 74 CO 0.18 -0.91 0.10 -0.22 1.20 0.00 0.00 173.24 173.60 1e7n s LEU 75 N -0.85 0.27 -0.04 3.45 2.96 -1.26 -4.49 118.68 118.71 1e7n s LEU 75 Ca 0.61 -0.51 0.10 0.00 -0.22 0.00 0.00 54.13 54.12 1e7n s LEU 75 Cb -0.48 -0.15 -0.16 0.00 0.50 0.00 0.00 46.19 45.90 1e7n s LEU 75 CO 0.51 -0.34 0.18 -1.20 -1.32 0.00 0.00 176.35 174.18 1e7n n SER 76 N 5.29 2.48 -3.82 3.68 7.64 -0.24 -4.83 113.62 123.83 1e7n n SER 76 Ca -0.07 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.71 1e7n n SER 76 Cb 0.49 1.27 -0.08 0.00 -1.01 0.00 0.00 64.21 64.88 1e7n n SER 76 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1e7n s SER 77 N -3.58 0.01 0.02 6.43 1.04 -1.16 -0.51 113.70 115.95 1e7n s SER 77 Ca -0.04 -0.36 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 1e7n s SER 77 Cb 0.06 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1e7n s SER 77 CO 0.45 -0.60 0.19 -0.76 0.98 0.00 0.00 173.24 173.50 1e7n s LEU 78 N -2.19 1.35 -0.00 2.42 1.43 -0.92 -0.22 118.68 120.54 1e7n s LEU 78 Ca -0.04 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 52.56 1e7n s LEU 78 Cb -0.00 0.91 0.06 0.00 0.03 0.00 0.00 46.19 47.19 1e7n s LEU 78 CO -0.05 -0.47 0.61 0.00 0.23 0.00 0.00 176.35 176.67 1e7n s ARG 79 N -1.92 1.06 0.46 1.70 1.70 -0.81 -1.18 118.95 119.95 1e7n s ARG 79 Ca -0.10 0.04 -0.23 0.00 -0.47 0.00 0.00 55.73 54.97 1e7n s ARG 79 Cb -0.04 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.75 1e7n s ARG 79 CO -0.00 -0.36 1.13 -2.14 -1.08 0.00 0.00 175.30 172.85 1e7n s PRO 80 N -1.77 3.80 0.11 3.89 0.02 -1.26 -1.30 135.00 138.50 1e7n s PRO 80 Ca -0.09 1.69 -0.23 0.00 0.02 0.00 0.00 61.00 62.40 1e7n s PRO 80 Cb -0.01 -2.38 -0.07 0.00 0.02 0.00 0.00 34.50 32.06 1e7n s PRO 80 CO 0.04 -0.49 0.69 0.42 -0.33 0.00 0.00 177.00 177.33 1e7n s ILE 81 N -1.61 4.57 0.02 2.83 1.01 -0.22 -4.81 121.20 123.00 1e7n s ILE 81 Ca 0.63 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 62.47 1e7n s ILE 81 Cb -0.26 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 1e7n s ILE 81 CO 0.32 0.51 1.43 -0.54 0.00 0.00 0.00 174.94 176.66 1e7n s LYS 82 N -0.97 4.28 0.41 2.79 1.02 -1.26 -4.76 119.74 121.25 1e7n s LYS 82 Ca 0.33 2.02 -0.04 0.00 0.02 0.00 0.00 55.97 58.30 1e7n s LYS 82 Cb -0.21 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 1e7n s LYS 82 CO 0.23 -0.57 0.68 0.08 -0.92 0.00 0.00 175.35 174.85 1e7n s VAL 83 N 2.23 4.97 0.00 3.17 1.01 -1.26 -5.13 120.40 125.39 1e7n s VAL 83 Ca 0.65 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1e7n s VAL 83 Cb -0.33 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1e7n s VAL 83 CO 0.28 -0.67 0.00 0.47 0.00 0.00 0.00 175.10 175.18