#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6v s LYS 2 N 0.00 2.14 -0.02 2.12 1.02 -0.91 -4.98 119.74 119.10 3a6v s LYS 2 Ca 0.00 -1.57 0.01 0.00 0.02 0.00 0.00 55.97 54.43 3a6v s LYS 2 Cb 0.00 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 3a6v s LYS 2 CO 0.00 0.28 -0.01 0.15 -0.92 0.00 0.00 175.35 174.86 3a6v s LYS 3 N -3.67 2.82 -0.10 1.68 1.02 -1.26 -1.02 119.74 119.22 3a6v s LYS 3 Ca 0.32 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.74 3a6v s LYS 3 Cb -0.04 -2.69 0.03 0.00 -0.52 0.00 0.00 37.83 34.61 3a6v s LYS 3 CO 0.19 0.64 -0.01 -1.17 -0.92 0.00 0.00 175.35 174.08 3a6v s LEU 4 N -1.36 0.80 0.03 3.17 2.96 -0.31 -4.95 118.68 119.03 3a6v s LEU 4 Ca 0.18 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.95 3a6v s LEU 4 Cb -0.11 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 3a6v s LEU 4 CO 0.08 -0.19 -0.25 -1.10 -1.32 0.00 0.00 176.35 173.57 3a6v s GLN 5 N 1.90 1.75 -0.04 1.98 -0.21 -1.26 -1.72 119.66 122.05 3a6v s GLN 5 Ca 0.04 -1.03 0.04 0.00 0.02 0.00 0.00 55.36 54.42 3a6v s GLN 5 Cb -0.13 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.01 3a6v s GLN 5 CO -0.06 0.49 -0.14 0.42 -2.12 0.00 0.00 175.29 173.87 3a6v s ILE 6 N -0.76 1.23 -0.18 1.08 1.01 -0.16 -0.89 121.20 122.53 3a6v s ILE 6 Ca 0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3a6v s ILE 6 Cb -0.10 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 3a6v s ILE 6 CO 0.01 0.36 0.08 0.00 0.00 0.00 0.00 174.94 175.40 3a6v s ALA 7 N 0.17 3.51 -0.07 9.38 0.00 0.36 -0.21 121.76 134.91 3a6v s ALA 7 Ca -0.05 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.23 3a6v s ALA 7 Cb -0.11 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 3a6v s ALA 7 CO 0.02 0.21 -0.21 0.08 0.00 0.00 0.00 175.76 175.87 3a6v s VAL 8 N 0.24 1.76 -0.24 0.00 1.01 0.19 -1.29 120.40 122.07 3a6v s VAL 8 Ca 0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3a6v s VAL 8 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3a6v s VAL 8 CO -0.00 0.49 0.06 -0.83 0.00 0.00 0.00 175.10 174.82 3a6v s GLY 9 N 0.15 1.77 -0.47 4.51 0.00 -0.64 -0.29 107.32 112.35 3a6v s GLY 9 Ca -0.10 -1.09 -0.14 0.00 0.00 0.00 0.00 44.72 43.40 3a6v s GLY 9 CO 0.05 0.48 0.37 -0.42 0.00 0.00 0.00 173.10 173.58 3a6v s ILE 10 N 1.48 4.92 -0.36 0.90 1.01 0.79 -3.96 121.20 125.98 3a6v s ILE 10 Ca 0.06 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.29 3a6v s ILE 10 Cb -0.15 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3a6v s ILE 10 CO 0.03 -0.61 0.50 -0.63 0.00 0.00 0.00 174.94 174.23 3a6v s ILE 11 N 1.57 5.03 -0.13 2.92 1.01 -1.26 0.45 121.20 130.79 3a6v s ILE 11 Ca 0.04 0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.91 3a6v s ILE 11 Cb -0.25 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3a6v s ILE 11 CO 0.05 -0.26 -0.21 -0.60 0.00 0.00 0.00 174.94 173.92 3a6v s ARG 12 N 2.35 3.09 0.26 2.79 3.52 -0.71 -1.41 118.95 128.84 3a6v s ARG 12 Ca 0.17 -0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 54.94 3a6v s ARG 12 Cb -0.16 -2.44 0.05 0.00 -1.56 0.00 0.00 34.95 30.84 3a6v s ARG 12 CO 0.14 0.06 0.36 0.27 -0.81 0.00 0.00 175.30 175.32 3a6v n ASN 13 N 3.87 0.47 0.19 -2.12 0.23 -0.56 -4.56 115.26 112.78 3a6v n ASN 13 Ca -0.19 -1.40 0.14 0.00 -0.53 0.00 0.00 54.58 52.60 3a6v n ASN 13 Cb 0.52 -0.23 0.59 0.00 -2.08 0.00 0.00 39.78 38.58 3a6v n ASN 13 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3a6v h GLU 14 N 0.00 0.00 -0.64 -3.83 3.07 -1.92 -2.77 114.58 108.49 3a6v h GLU 14 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3a6v h GLU 14 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3a6v h GLU 14 CO 0.13 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.83 3a6v n ASN 15 N -2.58 4.06 -2.53 1.42 5.03 -1.26 -4.92 115.26 114.48 3a6v n ASN 15 Ca 0.01 -2.31 -0.18 0.00 0.87 0.00 0.00 54.58 52.98 3a6v n ASN 15 Cb 0.24 -0.52 0.04 0.00 -1.02 0.00 0.00 39.78 38.53 3a6v n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3a6v n ASN 16 N 1.05 -5.17 -4.58 6.41 5.15 -1.04 -4.92 115.26 112.15 3a6v n ASN 16 Ca 0.22 -0.29 -0.31 0.00 -0.60 0.00 0.00 54.58 53.60 3a6v n ASN 16 Cb 0.74 -3.93 -0.10 0.00 -0.53 0.00 0.00 39.78 35.96 3a6v n ASN 16 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3a6v s GLU 17 N -5.62 2.44 0.05 1.20 2.02 -1.26 -1.97 118.70 115.55 3a6v s GLU 17 Ca 0.31 -0.80 0.06 0.00 0.02 0.00 0.00 54.97 54.56 3a6v s GLU 17 Cb -0.14 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 3a6v s GLU 17 CO 0.38 0.58 -0.14 0.42 0.02 0.00 0.00 175.26 176.51 3a6v s ILE 18 N -1.04 3.06 -0.33 -1.63 1.01 0.70 -1.50 121.20 121.46 3a6v s ILE 18 Ca 0.18 -1.13 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 3a6v s ILE 18 Cb -0.11 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.04 3a6v s ILE 18 CO 0.09 0.30 0.86 0.12 0.00 0.00 0.00 174.94 176.31 3a6v s PHE 19 N -1.00 3.15 -0.05 3.97 5.36 -0.50 -1.26 117.98 127.65 3a6v s PHE 19 Ca 0.16 0.81 0.03 0.00 -0.96 0.00 0.00 56.93 56.98 3a6v s PHE 19 Cb -0.11 -3.43 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 3a6v s PHE 19 CO 0.07 -0.69 -0.13 0.42 -1.46 0.00 0.00 175.22 173.43 3a6v s ILE 20 N 3.21 3.18 0.33 3.12 -1.09 -0.30 -4.62 121.20 125.03 3a6v s ILE 20 Ca 0.35 -0.69 0.09 0.00 -2.23 0.00 0.00 60.65 58.18 3a6v s ILE 20 Cb -0.13 -2.26 -0.05 0.00 -1.58 0.00 0.00 42.46 38.44 3a6v s ILE 20 CO 0.15 0.59 0.07 0.42 -1.23 0.00 0.00 174.94 174.94 3a6v s THR 21 N -0.75 2.88 0.38 2.92 -4.23 -0.44 -1.13 115.64 115.27 3a6v s THR 21 Ca 0.12 -1.85 0.08 0.00 -1.18 0.00 0.00 61.69 58.86 3a6v s THR 21 Cb -0.11 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 3a6v s THR 21 CO 0.01 -0.21 0.06 -0.13 -0.54 0.00 0.00 174.62 173.80 3a6v s ARG 22 N -3.77 2.09 -0.13 3.99 0.52 -0.48 -1.19 118.95 119.99 3a6v s ARG 22 Ca 0.36 -1.86 -0.11 0.00 -0.52 0.00 0.00 55.73 53.59 3a6v s ARG 22 Cb -0.02 -1.87 -0.10 0.00 0.52 0.00 0.00 34.95 33.48 3a6v s ARG 22 CO 0.21 0.02 0.22 0.00 0.02 0.00 0.00 175.30 175.77 3a6v h ARG 23 N 1.70 0.00 0.00 3.54 2.47 -1.94 -3.40 114.38 116.75 3a6v h ARG 23 Ca -0.43 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.29 3a6v h ARG 23 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 3a6v h ARG 23 CO 0.71 0.37 0.00 -1.71 0.56 0.00 0.00 179.97 179.90 3a6v n ASN 31 N -4.68 0.00 -4.76 7.04 5.15 -1.26 -4.98 115.26 111.77 3a6v n ASN 31 Ca -0.06 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.57 3a6v n ASN 31 Cb 0.23 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.52 3a6v n ASN 31 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3a6v s LYS 32 N 0.00 2.90 0.29 1.20 1.02 -1.26 -5.02 119.74 118.87 3a6v s LYS 32 Ca 0.00 1.59 -0.08 0.00 0.02 0.00 0.00 55.97 57.50 3a6v s LYS 32 Cb 0.00 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.30 3a6v s LYS 32 CO 0.00 -1.21 0.61 -0.51 -0.92 0.00 0.00 175.35 173.32 3a6v s LEU 33 N -4.45 4.05 0.23 3.17 1.02 -0.29 -4.57 118.68 117.84 3a6v s LEU 33 Ca 0.72 0.91 -0.22 0.00 0.02 0.00 0.00 54.13 55.55 3a6v s LEU 33 Cb -0.25 -3.72 0.04 0.00 0.02 0.00 0.00 46.19 42.28 3a6v s LEU 33 CO 0.36 -0.19 0.75 -1.83 0.02 0.00 0.00 176.35 175.46 3a6v s GLU 34 N -3.31 1.60 0.23 1.70 -1.05 -0.33 -4.05 118.70 113.49 3a6v s GLU 34 Ca 0.47 -0.85 -0.07 0.00 -0.15 0.00 0.00 54.97 54.37 3a6v s GLU 34 Cb -0.11 0.57 -0.06 0.00 -0.44 0.00 0.00 34.13 34.09 3a6v s GLU 34 CO 0.26 -0.73 0.52 -0.06 0.95 0.00 0.00 175.26 176.21 3a6v s PHE 35 N -3.76 3.45 0.70 4.83 0.08 -1.26 -1.32 117.98 120.69 3a6v s PHE 35 Ca 0.10 0.75 -0.15 0.00 0.12 0.00 0.00 56.93 57.74 3a6v s PHE 35 Cb -0.04 -2.17 0.02 0.00 -0.57 0.00 0.00 43.02 40.26 3a6v s PHE 35 CO 0.03 0.27 1.19 -2.14 -0.10 0.00 0.00 175.22 174.46 3a6v s PRO 36 N -3.02 2.34 0.00 0.24 0.02 -1.25 -4.86 135.00 128.47 3a6v s PRO 36 Ca 0.45 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3a6v s PRO 36 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3a6v s PRO 36 CO 0.25 -1.66 0.00 0.41 -0.33 0.00 0.00 177.00 175.66 3a6v n GLY 37 N 0.21 2.41 1.03 0.52 0.00 -1.26 -1.62 105.19 106.48 3a6v n GLY 37 Ca 0.13 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.84 3a6v n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6v n GLY 38 N -1.34 0.57 3.77 -0.02 0.00 -0.41 -4.98 105.19 102.78 3a6v n GLY 38 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 3a6v n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a6v s LYS 39 N -2.00 4.27 -0.31 1.61 2.20 -1.26 -0.49 119.74 123.76 3a6v s LYS 39 Ca 0.08 2.33 -0.23 0.00 -0.36 0.00 0.00 55.97 57.79 3a6v s LYS 39 Cb -0.00 -3.06 -0.00 0.00 -1.51 0.00 0.00 37.83 33.26 3a6v s LYS 39 CO -0.00 -0.34 0.74 0.42 -0.36 0.00 0.00 175.35 175.81 3a6v s ILE 40 N -0.82 4.83 0.64 5.43 1.01 -0.07 -4.84 121.20 127.38 3a6v s ILE 40 Ca 0.53 1.09 -0.08 0.00 0.00 0.00 0.00 60.65 62.19 3a6v s ILE 40 Cb -0.42 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 37.96 3a6v s ILE 40 CO 0.53 -0.22 0.98 -1.61 0.00 0.00 0.00 174.94 174.62 3a6v s GLU 41 N 2.86 2.88 0.19 2.79 0.41 -1.26 -4.69 118.70 121.87 3a6v s GLU 41 Ca 0.30 0.18 -0.33 0.00 -0.41 0.00 0.00 54.97 54.71 3a6v s GLU 41 Cb -0.14 -2.17 -0.14 0.00 -1.78 0.00 0.00 34.13 29.89 3a6v s GLU 41 CO 0.12 -0.84 1.40 -1.33 -0.49 0.00 0.00 175.26 174.12 3a6v n MET 42 N -2.76 1.80 -0.90 1.61 2.81 -1.26 -1.89 117.12 116.53 3a6v n MET 42 Ca 0.05 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.59 3a6v n MET 42 Cb 0.57 -2.30 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 3a6v n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a6v n GLY 43 N 2.53 0.93 3.85 3.03 0.00 -1.26 -5.04 105.19 109.24 3a6v n GLY 43 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3a6v n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a6v s GLU 44 N -0.10 3.18 0.47 1.61 2.02 -0.79 -5.12 118.70 119.97 3a6v s GLU 44 Ca 0.00 -0.58 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 3a6v s GLU 44 Cb 0.00 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3a6v s GLU 44 CO 0.00 0.58 0.71 0.95 0.02 0.00 0.00 175.26 177.51 3a6v s THR 45 N -1.49 3.87 0.33 3.63 -4.23 -1.26 -4.85 115.64 111.65 3a6v s THR 45 Ca 0.32 -0.44 0.05 0.00 -1.18 0.00 0.00 61.69 60.44 3a6v s THR 45 Cb -0.12 -3.44 0.30 0.00 1.34 0.00 0.00 72.50 70.57 3a6v s THR 45 CO 0.25 -0.33 1.91 -0.65 -0.54 0.00 0.00 174.62 175.26 3a6v h PRO 46 N 0.31 0.82 -0.41 3.99 0.11 -1.99 -2.03 132.00 132.80 3a6v h PRO 46 Ca -0.46 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3a6v h PRO 46 Cb 1.26 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3a6v h PRO 46 CO 0.57 0.54 -0.04 0.93 -0.21 0.00 0.00 178.00 179.80 3a6v h GLU 47 N 0.85 0.74 -0.54 1.05 3.07 -2.00 -2.37 114.58 115.38 3a6v h GLU 47 Ca 0.39 -0.26 -0.07 0.00 -0.50 0.00 0.00 59.36 58.93 3a6v h GLU 47 Cb 0.39 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3a6v h GLU 47 CO -0.16 0.85 0.07 1.96 -1.40 0.00 0.00 179.01 180.33 3a6v h GLN 48 N 0.57 0.87 -0.45 2.33 4.20 -1.80 -2.54 115.11 118.28 3a6v h GLN 48 Ca 0.11 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.50 3a6v h GLN 48 Cb 0.54 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3a6v h GLN 48 CO 0.03 0.82 -0.12 0.00 -0.67 0.00 0.00 178.83 178.89 3a6v h ALA 49 N 1.25 0.62 -0.28 3.87 0.00 -1.29 -0.73 119.26 122.70 3a6v h ALA 49 Ca 0.17 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3a6v h ALA 49 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3a6v h ALA 49 CO 0.01 0.53 -0.23 -0.24 0.00 0.00 0.00 179.25 179.32 3a6v h VAL 50 N 0.71 1.26 -0.17 0.00 3.04 -1.33 -0.09 116.25 119.68 3a6v h VAL 50 Ca 0.11 -1.24 -0.03 0.00 -1.01 0.00 0.00 66.70 64.53 3a6v h VAL 50 Cb 0.67 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 3a6v h VAL 50 CO 0.05 0.40 -0.02 0.58 -1.01 0.00 0.00 177.57 177.57 3a6v h VAL 51 N 0.46 1.27 -0.04 1.51 2.07 -1.26 -2.23 116.25 118.04 3a6v h VAL 51 Ca 0.07 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3a6v h VAL 51 Cb 0.65 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3a6v h VAL 51 CO 0.05 0.27 0.02 -0.09 0.02 0.00 0.00 177.57 177.84 3a6v h ARG 52 N 0.05 0.05 -0.63 1.57 2.43 -0.91 -1.63 114.38 115.32 3a6v h ARG 52 Ca 0.05 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3a6v h ARG 52 Cb 0.42 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3a6v h ARG 52 CO 0.01 0.15 0.29 0.93 -1.51 0.00 0.00 179.97 179.84 3a6v h GLU 53 N -0.06 0.90 -0.11 0.20 4.39 -1.06 -1.08 114.58 117.76 3a6v h GLU 53 Ca 0.01 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 3a6v h GLU 53 Cb 0.12 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3a6v h GLU 53 CO -0.00 0.71 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.91 3a6v h LEU 54 N 0.89 0.40 -0.83 1.33 3.38 -1.28 0.10 115.31 119.30 3a6v h LEU 54 Ca 0.22 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3a6v h LEU 54 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3a6v h LEU 54 CO -0.03 0.89 -0.12 1.56 0.09 0.00 0.00 178.44 180.84 3a6v h GLN 55 N 0.27 0.75 -0.06 1.13 4.20 -0.76 -0.91 115.11 119.72 3a6v h GLN 55 Ca -0.00 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 3a6v h GLN 55 Cb 1.09 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.81 3a6v h GLN 55 CO 0.10 0.83 -0.31 0.93 -0.67 0.00 0.00 178.83 179.71 3a6v h GLU 56 N 0.68 0.32 0.20 1.46 5.08 -0.96 -2.95 114.58 118.41 3a6v h GLU 56 Ca 0.11 -0.26 -0.31 0.00 -1.00 0.00 0.00 59.36 57.91 3a6v h GLU 56 Cb 0.58 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.91 3a6v h GLU 56 CO 0.04 0.91 -1.44 0.93 -1.00 0.00 0.00 179.01 178.45 3a6v h GLU 57 N -0.20 0.43 0.00 2.33 5.08 -0.80 -3.38 114.58 118.04 3a6v h GLU 57 Ca -0.02 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 3a6v h GLU 57 Cb 0.97 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3a6v h GLU 57 CO 0.06 1.35 0.00 1.33 -1.00 0.00 0.00 179.01 180.75 3a6v n VAL 58 N -3.78 0.40 -2.25 3.13 0.24 -0.40 -2.38 118.33 113.29 3a6v n VAL 58 Ca -0.20 -0.59 -0.11 0.00 -2.04 0.00 0.00 64.34 61.41 3a6v n VAL 58 Cb 1.03 0.90 -0.00 0.00 -1.47 0.00 0.00 33.84 34.30 3a6v n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a6v n GLY 59 N -0.20 -0.05 3.32 7.63 0.00 -0.85 -1.60 105.19 113.45 3a6v n GLY 59 Ca 0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 3a6v n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a6v s ILE 60 N -2.56 1.63 -0.31 -0.61 -4.36 -1.21 -4.28 121.20 109.50 3a6v s ILE 60 Ca 0.02 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.26 3a6v s ILE 60 Cb -0.01 -1.98 0.07 0.00 1.25 0.00 0.00 42.46 41.80 3a6v s ILE 60 CO 0.02 -0.60 0.01 -0.89 0.24 0.00 0.00 174.94 173.72 3a6v s THR 61 N -2.94 2.71 0.37 8.37 2.01 -0.73 -2.77 115.64 122.65 3a6v s THR 61 Ca 0.20 -1.70 -0.28 0.00 0.31 0.00 0.00 61.69 60.22 3a6v s THR 61 Cb -0.01 -2.68 -0.11 0.00 0.01 0.00 0.00 72.50 69.71 3a6v s THR 61 CO 0.06 -0.25 1.43 -2.65 -0.69 0.00 0.00 174.62 172.52 3a6v n PRO 62 N 4.51 2.51 -0.00 4.92 -0.02 -1.26 -1.87 135.00 143.79 3a6v n PRO 62 Ca -0.09 0.88 -0.01 0.00 -2.02 0.00 0.00 63.50 62.26 3a6v n PRO 62 Cb 0.42 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3a6v n PRO 62 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a6v n GLN 63 N 0.46 0.02 -3.98 -0.52 6.02 -0.30 -4.90 117.38 114.18 3a6v n GLN 63 Ca 0.02 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.72 3a6v n GLN 63 Cb 0.38 -0.91 -0.16 0.00 1.02 0.00 0.00 30.24 30.56 3a6v n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3a6v s HIS 64 N -2.02 2.14 -0.02 1.08 5.04 -0.95 -5.02 115.29 115.55 3a6v s HIS 64 Ca -0.01 -1.32 -0.22 0.00 -1.54 0.00 0.00 55.06 51.97 3a6v s HIS 64 Cb 0.00 -1.54 0.05 0.00 0.04 0.00 0.00 32.58 31.13 3a6v s HIS 64 CO 0.02 -0.68 0.49 -0.59 -2.34 0.00 0.00 174.74 171.63 3a6v s PHE 65 N 1.49 -0.41 0.15 3.88 -0.71 -1.26 -1.93 117.98 119.19 3a6v s PHE 65 Ca 0.02 0.66 0.04 0.00 -1.04 0.00 0.00 56.93 56.60 3a6v s PHE 65 Cb -0.15 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 3a6v s PHE 65 CO -0.09 -0.51 -0.08 -1.54 -1.34 0.00 0.00 175.22 171.66 3a6v s SER 66 N -1.33 1.66 -0.22 1.98 1.04 -1.00 -4.95 113.70 110.88 3a6v s SER 66 Ca -0.12 -1.04 -0.29 0.00 0.48 0.00 0.00 55.95 54.98 3a6v s SER 66 Cb -0.02 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3a6v s SER 66 CO 0.06 -0.38 1.28 -0.22 0.98 0.00 0.00 173.24 174.96 3a6v s LEU 67 N -3.16 4.06 -0.12 2.42 2.96 -1.26 -0.94 118.68 122.63 3a6v s LEU 67 Ca 0.17 1.50 -0.12 0.00 -0.22 0.00 0.00 54.13 55.47 3a6v s LEU 67 Cb 0.03 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.93 3a6v s LEU 67 CO 0.01 -0.89 0.42 0.15 -1.32 0.00 0.00 176.35 174.72 3a6v h PHE 68 N 8.66 0.43 -2.01 5.38 3.57 -0.72 -3.47 116.94 128.78 3a6v h PHE 68 Ca -0.26 -0.31 -0.05 0.00 3.53 0.00 0.00 57.97 60.88 3a6v h PHE 68 Cb 1.10 -0.02 -0.19 0.00 2.79 0.00 0.00 35.95 39.63 3a6v h PHE 68 CO 0.83 1.68 0.22 -2.00 -2.23 0.00 0.00 178.31 176.81 3a6v s GLU 69 N -2.51 1.03 -0.12 1.11 2.56 -1.03 -5.02 118.70 114.71 3a6v s GLU 69 Ca -0.22 0.22 -0.01 0.00 0.00 0.00 0.00 54.97 54.96 3a6v s GLU 69 Cb 0.06 0.49 0.04 0.00 2.00 0.00 0.00 34.13 36.71 3a6v s GLU 69 CO 0.75 -0.33 -0.02 0.21 -0.56 0.00 0.00 175.26 175.31 3a6v s LYS 70 N -1.30 0.98 -0.04 4.30 2.20 -1.26 -0.68 119.74 123.94 3a6v s LYS 70 Ca -0.10 -0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.33 3a6v s LYS 70 Cb -0.00 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.76 3a6v s LYS 70 CO 0.08 -0.39 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.11 3a6v s LEU 71 N 1.83 3.20 0.04 5.43 1.43 -0.48 -4.96 118.68 125.16 3a6v s LEU 71 Ca 0.03 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 3a6v s LEU 71 Cb -0.14 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3a6v s LEU 71 CO -0.07 0.33 -0.24 -1.61 0.23 0.00 0.00 176.35 174.99 3a6v s GLU 72 N -1.07 1.70 -0.08 1.70 0.41 -1.26 -0.30 118.70 119.79 3a6v s GLU 72 Ca 0.14 -1.02 -0.01 0.00 -0.41 0.00 0.00 54.97 53.67 3a6v s GLU 72 Cb -0.11 -1.82 0.03 0.00 -1.78 0.00 0.00 34.13 30.44 3a6v s GLU 72 CO 0.04 0.47 -0.03 0.71 -0.49 0.00 0.00 175.26 175.96 3a6v s TYR 73 N -0.77 0.97 -0.38 1.61 2.02 0.33 -5.01 117.35 116.12 3a6v s TYR 73 Ca 0.10 -0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.34 3a6v s TYR 73 Cb -0.10 -0.94 0.05 0.00 -0.40 0.00 0.00 41.96 40.57 3a6v s TYR 73 CO 0.02 -0.38 0.20 -1.21 -1.57 0.00 0.00 175.55 172.60 3a6v s GLU 74 N 1.78 2.68 0.32 -0.62 2.02 -1.26 -0.80 118.70 122.82 3a6v s GLU 74 Ca 0.03 -1.24 0.09 0.00 0.02 0.00 0.00 54.97 53.87 3a6v s GLU 74 Cb -0.13 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.38 3a6v s GLU 74 CO -0.06 -0.78 0.04 -0.06 0.02 0.00 0.00 175.26 174.42 3a6v s PHE 75 N 1.47 2.62 0.07 1.61 0.08 0.08 -5.04 117.98 118.87 3a6v s PHE 75 Ca 0.01 -0.37 -0.33 0.00 0.12 0.00 0.00 56.93 56.37 3a6v s PHE 75 Cb -0.21 -1.44 -0.12 0.00 -0.57 0.00 0.00 43.02 40.68 3a6v s PHE 75 CO 0.04 0.48 1.78 -2.30 -0.10 0.00 0.00 175.22 175.12 3a6v n PRO 76 N -0.98 2.42 -0.72 0.24 -0.02 -1.26 -1.50 135.00 133.18 3a6v n PRO 76 Ca -0.04 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3a6v n PRO 76 Cb 0.61 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3a6v n PRO 76 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a6v n ASP 77 N 5.34 -0.60 -3.75 2.55 9.92 -1.26 -4.96 116.55 123.80 3a6v n ASP 77 Ca 0.19 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.31 3a6v n ASP 77 Cb 0.33 -1.67 -0.15 0.00 -0.64 0.00 0.00 41.12 38.99 3a6v n ASP 77 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3a6v s ARG 78 N -0.71 0.07 -0.23 -1.24 1.81 -0.56 -2.15 118.95 115.94 3a6v s ARG 78 Ca 0.00 0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 54.32 3a6v s ARG 78 Cb 0.00 -0.20 -0.00 0.00 -0.45 0.00 0.00 34.95 34.30 3a6v s ARG 78 CO 0.00 -0.17 -0.03 -1.58 -0.68 0.00 0.00 175.30 172.83 3a6v s HIS 79 N 1.22 2.99 -0.11 -0.53 5.65 -0.19 -0.74 115.29 123.58 3a6v s HIS 79 Ca -0.09 -1.01 0.00 0.00 0.25 0.00 0.00 55.06 54.22 3a6v s HIS 79 Cb -0.12 -2.11 -0.02 0.00 -1.18 0.00 0.00 32.58 29.15 3a6v s HIS 79 CO -0.05 -0.57 -0.11 0.42 -0.65 0.00 0.00 174.74 173.78 3a6v s ILE 80 N 1.46 3.28 -0.08 0.89 1.01 0.02 -1.16 121.20 126.62 3a6v s ILE 80 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.13 3a6v s ILE 80 Cb -0.15 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.97 3a6v s ILE 80 CO -0.03 0.54 -0.17 -0.89 0.00 0.00 0.00 174.94 174.40 3a6v s THR 81 N -0.03 1.50 -0.22 2.92 2.01 -0.70 -0.51 115.64 120.62 3a6v s THR 81 Ca -0.02 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 3a6v s THR 81 Cb -0.14 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 3a6v s THR 81 CO 0.04 0.44 0.01 -0.76 -0.69 0.00 0.00 174.62 173.66 3a6v s LEU 82 N 0.58 3.26 -0.34 4.42 1.02 0.59 -0.98 118.68 127.22 3a6v s LEU 82 Ca -0.15 -0.23 -0.09 0.00 0.02 0.00 0.00 54.13 53.68 3a6v s LEU 82 Cb -0.17 -1.84 0.02 0.00 0.02 0.00 0.00 46.19 44.22 3a6v s LEU 82 CO 0.05 0.03 0.15 0.26 0.02 0.00 0.00 176.35 176.86 3a6v s TRP 83 N 1.22 3.21 -0.31 0.29 0.52 0.71 -1.38 118.94 123.20 3a6v s TRP 83 Ca 0.04 -0.92 -0.13 0.00 0.02 0.00 0.00 56.10 55.10 3a6v s TRP 83 Cb -0.15 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.79 3a6v s TRP 83 CO 0.01 -0.59 0.26 -0.06 0.02 0.00 0.00 176.95 176.60 3a6v s PHE 84 N 1.54 3.22 -0.11 -1.98 0.08 0.14 0.52 117.98 121.40 3a6v s PHE 84 Ca 0.02 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 3a6v s PHE 84 Cb -0.18 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.75 3a6v s PHE 84 CO 0.05 -0.27 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.29 3a6v s TRP 85 N 1.84 3.06 -0.38 0.36 0.52 0.60 0.04 118.94 124.99 3a6v s TRP 85 Ca 0.09 -0.01 -0.18 0.00 0.02 0.00 0.00 56.10 56.01 3a6v s TRP 85 Cb -0.16 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.33 3a6v s TRP 85 CO 0.11 0.26 0.50 -1.17 0.02 0.00 0.00 176.95 176.67 3a6v s LEU 86 N -0.43 4.48 -0.36 2.99 2.96 -0.12 -0.15 118.68 128.06 3a6v s LEU 86 Ca 0.07 -0.23 -0.14 0.00 -0.22 0.00 0.00 54.13 53.61 3a6v s LEU 86 Cb -0.12 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 3a6v s LEU 86 CO 0.02 -0.53 0.30 -0.69 -1.32 0.00 0.00 176.35 174.13 3a6v s VAL 87 N 2.37 5.24 -0.37 1.68 1.01 0.17 -2.39 120.40 128.11 3a6v s VAL 87 Ca 0.17 -0.22 0.12 0.00 0.00 0.00 0.00 61.98 62.05 3a6v s VAL 87 Cb -0.16 -3.80 -0.15 0.00 0.00 0.00 0.00 36.38 32.27 3a6v s VAL 87 CO 0.14 -0.11 0.43 -0.62 0.00 0.00 0.00 175.10 174.94 3a6v n GLU 88 N 5.23 2.11 -3.75 2.72 1.02 -0.81 -1.74 120.64 125.42 3a6v n GLU 88 Ca -0.11 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.86 3a6v n GLU 88 Cb 0.49 -1.14 -0.11 0.00 -0.02 0.00 0.00 31.44 30.66 3a6v n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3a6v s ARG 89 N -2.38 0.37 0.26 3.49 1.70 -1.21 -4.91 118.95 116.28 3a6v s ARG 89 Ca 0.01 0.51 -0.17 0.00 -0.47 0.00 0.00 55.73 55.62 3a6v s ARG 89 Cb 0.09 0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3a6v s ARG 89 CO 0.50 -0.07 0.60 1.67 -1.08 0.00 0.00 175.30 176.92 3a6v s TRP 90 N 0.44 0.06 -0.13 5.89 -2.14 -1.26 -1.15 118.94 120.65 3a6v s TRP 90 Ca -0.02 -0.48 -0.05 0.00 2.66 0.00 0.00 56.10 58.21 3a6v s TRP 90 Cb -0.04 0.46 -0.04 0.00 -3.10 0.00 0.00 33.47 30.75 3a6v s TRP 90 CO -0.02 -1.12 0.05 -2.00 -2.66 0.00 0.00 176.95 171.21 3a6v s GLU 91 N -3.96 3.49 0.00 3.25 2.12 -0.78 -4.93 118.70 117.88 3a6v s GLU 91 Ca 0.16 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.16 3a6v s GLU 91 Cb -0.03 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.31 3a6v s GLU 91 CO 0.08 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 3a6v n GLY 92 N 2.69 -3.07 2.98 -1.50 0.00 -1.26 -1.78 105.19 103.25 3a6v n GLY 92 Ca -0.18 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.43 3a6v n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a6v s GLU 93 N -0.74 1.83 0.28 1.61 2.56 -1.26 -4.98 118.70 118.01 3a6v s GLU 93 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 54.97 54.27 3a6v s GLU 93 Cb 0.00 -1.68 -0.11 0.00 2.00 0.00 0.00 34.13 34.34 3a6v s GLU 93 CO 0.00 -0.15 1.56 -2.14 -0.56 0.00 0.00 175.26 173.98 3a6v s PRO 94 N 1.27 4.15 0.28 4.30 0.02 -1.26 -4.73 135.00 139.03 3a6v s PRO 94 Ca -0.02 2.52 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 3a6v s PRO 94 Cb -0.14 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.35 3a6v s PRO 94 CO -0.04 -0.59 0.56 1.67 -0.33 0.00 0.00 177.00 178.27 3a6v s TRP 95 N 0.00 0.32 -1.45 6.54 1.48 -0.63 -5.04 118.94 120.17 3a6v s TRP 95 Ca 0.62 -0.72 -0.13 0.00 -1.06 0.00 0.00 56.10 54.81 3a6v s TRP 95 Cb -0.47 0.33 0.04 0.00 -1.16 0.00 0.00 33.47 32.21 3a6v s TRP 95 CO 0.47 -1.13 2.24 0.41 -4.06 0.00 0.00 176.95 174.88 3a6v n GLY 96 N -0.44 4.45 0.33 3.67 0.00 -1.26 -4.17 105.19 107.76 3a6v n GLY 96 Ca -0.02 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.41 3a6v n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a6v h LYS 97 N 5.91 0.59 -0.70 1.61 3.64 -1.76 -0.74 116.57 125.13 3a6v h LYS 97 Ca 0.57 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 3a6v h LYS 97 Cb 0.62 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3a6v h LYS 97 CO 1.86 0.39 0.00 0.39 -2.27 0.00 0.00 179.45 179.82 3a6v n GLU 98 N -4.47 3.61 -1.01 1.90 1.02 -1.22 -4.88 120.64 115.60 3a6v n GLU 98 Ca 0.06 -2.16 -0.00 0.00 -0.02 0.00 0.00 57.16 55.03 3a6v n GLU 98 Cb 0.12 -1.99 -0.00 0.00 -0.02 0.00 0.00 31.44 29.55 3a6v n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a6v n GLY 99 N 0.50 0.46 3.92 0.62 0.00 -0.28 -5.05 105.19 105.35 3a6v n GLY 99 Ca 0.19 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3a6v n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3a6v s GLN 100 N -1.18 3.52 0.39 1.61 0.00 -1.25 -5.06 119.66 117.69 3a6v s GLN 100 Ca 0.00 -0.34 -0.27 0.00 -0.00 0.00 0.00 55.36 54.75 3a6v s GLN 100 Cb 0.00 -2.89 -0.09 0.00 0.00 0.00 0.00 33.01 30.03 3a6v s GLN 100 CO 0.00 0.46 1.33 -2.14 0.00 0.00 0.00 175.29 174.94 3a6v s PRO 101 N -3.05 4.03 -0.03 9.60 0.02 -1.26 -4.29 135.00 140.01 3a6v s PRO 101 Ca 0.38 2.22 -0.15 0.00 0.02 0.00 0.00 61.00 63.46 3a6v s PRO 101 Cb -0.12 -2.83 0.03 0.00 0.02 0.00 0.00 34.50 31.61 3a6v s PRO 101 CO 0.28 -0.46 0.33 0.20 -0.33 0.00 0.00 177.00 177.02 3a6v s GLY 102 N -0.63 -0.19 -0.01 0.52 0.00 -1.26 -1.38 107.32 104.37 3a6v s GLY 102 Ca 0.55 0.45 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 3a6v s GLY 102 CO 0.51 0.24 0.91 -1.83 0.00 0.00 0.00 173.10 172.93 3a6v s GLU 103 N -1.15 0.80 -0.03 2.90 -1.05 -0.29 -4.93 118.70 114.95 3a6v s GLU 103 Ca -0.12 -0.30 -0.20 0.00 -0.15 0.00 0.00 54.97 54.20 3a6v s GLU 103 Cb -0.05 0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.96 3a6v s GLU 103 CO 0.04 -0.35 0.59 -1.58 0.95 0.00 0.00 175.26 174.91 3a6v s TRP 104 N -3.08 3.64 -0.03 4.83 0.52 -1.26 -1.15 118.94 122.40 3a6v s TRP 104 Ca 0.05 1.15 0.02 0.00 0.02 0.00 0.00 56.10 57.34 3a6v s TRP 104 Cb -0.01 -2.62 0.01 0.00 -1.15 0.00 0.00 33.47 29.70 3a6v s TRP 104 CO -0.09 0.29 -0.08 -1.64 0.02 0.00 0.00 176.95 175.45 3a6v s MET 105 N 0.07 0.96 0.49 4.98 -1.94 -0.39 -4.92 119.30 118.56 3a6v s MET 105 Ca 0.31 -0.27 -0.22 0.00 -1.71 0.00 0.00 55.69 53.80 3a6v s MET 105 Cb -0.18 -0.89 -0.07 0.00 2.01 0.00 0.00 34.83 35.70 3a6v s MET 105 CO 0.16 0.07 1.19 -1.54 -0.01 0.00 0.00 175.02 174.89 3a6v s SER 106 N 0.34 5.92 0.17 3.03 1.04 -1.26 -0.22 113.70 122.72 3a6v s SER 106 Ca -0.05 2.36 -0.15 0.00 0.48 0.00 0.00 55.95 58.59 3a6v s SER 106 Cb -0.10 -2.60 0.05 0.00 0.10 0.00 0.00 66.02 63.47 3a6v s SER 106 CO 0.01 -1.09 1.83 -0.07 0.98 0.00 0.00 173.24 174.89 3a6v h LEU 107 N 1.78 0.57 -0.99 2.42 3.38 -1.75 -2.77 115.31 117.96 3a6v h LEU 107 Ca -0.50 -0.02 0.17 0.00 0.09 0.00 0.00 57.88 57.63 3a6v h LEU 107 Cb 1.26 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 3a6v h LEU 107 CO 0.59 0.42 0.60 0.58 0.09 0.00 0.00 178.44 180.72 3a6v h VAL 108 N 0.67 0.75 -0.01 1.22 2.07 -1.92 -1.43 116.25 117.60 3a6v h VAL 108 Ca 0.18 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3a6v h VAL 108 Cb -0.07 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.58 3a6v h VAL 108 CO -0.04 0.14 -0.05 0.61 0.02 0.00 0.00 177.57 178.26 3a6v n GLY 109 N -1.33 -0.55 3.73 2.17 0.00 -1.05 -4.91 105.19 103.25 3a6v n GLY 109 Ca 0.22 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3a6v n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a6v s LEU 110 N -2.16 4.38 -0.18 0.99 1.43 -0.54 -5.00 118.68 117.59 3a6v s LEU 110 Ca 0.37 2.59 0.01 0.00 -1.03 0.00 0.00 54.13 56.07 3a6v s LEU 110 Cb 0.21 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.84 3a6v s LEU 110 CO 0.39 -0.74 -0.18 0.21 0.23 0.00 0.00 176.35 176.26 3a6v s ASN 111 N 0.79 3.28 0.56 2.29 2.47 -1.26 -5.00 114.94 118.06 3a6v s ASN 111 Ca 0.64 -0.61 0.25 0.00 0.42 0.00 0.00 52.86 53.57 3a6v s ASN 111 Cb -0.42 -1.51 1.53 0.00 -1.45 0.00 0.00 41.25 39.41 3a6v s ASN 111 CO 0.36 0.01 2.11 0.00 -3.72 0.00 0.00 177.10 175.87 3a6v h ALA 112 N 7.83 1.96 0.00 1.71 0.00 -1.94 -1.08 119.26 127.74 3a6v h ALA 112 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3a6v h ALA 112 Cb 1.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3a6v h ALA 112 CO 0.62 -0.26 0.00 -0.44 0.00 0.00 0.00 179.25 179.17 3a6v h ASP 113 N 0.00 0.00 0.81 0.00 3.32 -1.96 -2.38 116.42 116.20 3a6v h ASP 113 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3a6v h ASP 113 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3a6v h ASP 113 CO -0.00 0.00 -0.30 0.47 -1.72 0.00 0.00 179.24 177.68 3a6v n ASP 114 N -2.58 0.38 -4.70 6.45 10.43 -0.41 -4.87 116.55 121.26 3a6v n ASP 114 Ca 0.01 0.13 -0.23 0.00 2.57 0.00 0.00 54.79 57.28 3a6v n ASP 114 Cb 0.23 -0.11 -0.07 0.00 1.84 0.00 0.00 41.12 43.01 3a6v n ASP 114 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3a6v s PHE 115 N -3.03 2.74 0.46 1.24 0.40 -0.90 -1.14 117.98 117.74 3a6v s PHE 115 Ca 0.11 -0.28 -0.25 0.00 -0.60 0.00 0.00 56.93 55.91 3a6v s PHE 115 Cb 0.17 -1.40 -0.08 0.00 0.51 0.00 0.00 43.02 42.22 3a6v s PHE 115 CO 0.64 0.50 1.39 -2.14 0.70 0.00 0.00 175.22 176.30 3a6v s PRO 116 N -3.76 3.66 0.56 0.24 0.02 -1.26 -4.84 135.00 129.64 3a6v s PRO 116 Ca 0.34 2.33 0.38 0.00 0.02 0.00 0.00 61.00 64.07 3a6v s PRO 116 Cb -0.05 -2.61 1.50 0.00 0.02 0.00 0.00 34.50 33.36 3a6v s PRO 116 CO 0.21 -0.80 1.69 -1.00 -0.33 0.00 0.00 177.00 176.77 3a6v h PRO 117 N 2.26 0.00 0.00 5.54 0.13 -1.95 -1.31 132.00 136.67 3a6v h PRO 117 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 3a6v h PRO 117 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3a6v h PRO 117 CO 0.61 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.33 3a6v h ALA 118 N 1.20 1.90 -0.00 -0.56 0.00 -1.97 -2.30 119.26 117.53 3a6v h ALA 118 Ca 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3a6v h ALA 118 Cb 2.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.37 3a6v h ALA 118 CO -0.01 0.06 -0.05 0.09 0.00 0.00 0.00 179.25 179.34 3a6v n ASN 119 N -4.46 0.08 -0.27 0.00 4.13 -0.49 -4.45 115.26 109.81 3a6v n ASN 119 Ca -0.03 0.13 -0.08 0.00 1.68 0.00 0.00 54.58 56.29 3a6v n ASN 119 Cb 0.13 -0.33 -0.04 0.00 -1.54 0.00 0.00 39.78 38.00 3a6v n ASN 119 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3a6v h GLU 120 N 0.05 -0.15 -0.24 3.52 4.81 -1.57 -0.55 114.58 120.45 3a6v h GLU 120 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3a6v h GLU 120 Cb 0.42 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3a6v h GLU 120 CO 0.00 -0.10 0.11 -1.00 -0.73 0.00 0.00 179.01 177.29 3a6v h PRO 121 N -0.16 0.33 -0.23 0.92 0.13 -1.83 -1.37 132.00 129.79 3a6v h PRO 121 Ca 0.20 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 65.13 3a6v h PRO 121 Cb 0.55 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3a6v h PRO 121 CO -0.78 0.26 -0.54 0.28 -0.23 0.00 0.00 178.00 176.99 3a6v h VAL 122 N 0.33 1.30 -0.35 1.56 2.07 -1.52 -2.40 116.25 117.23 3a6v h VAL 122 Ca 0.09 -1.75 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 3a6v h VAL 122 Cb 0.05 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3a6v h VAL 122 CO -0.01 0.56 0.15 0.40 0.02 0.00 0.00 177.57 178.69 3a6v h ILE 123 N 0.50 1.18 -0.33 4.57 1.08 -0.73 0.31 117.51 124.09 3a6v h ILE 123 Ca -0.00 -0.54 0.04 0.00 -0.39 0.00 0.00 64.86 63.96 3a6v h ILE 123 Cb 1.16 0.89 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 3a6v h ILE 123 CO 0.12 0.19 0.10 0.00 -0.69 0.00 0.00 178.15 177.87 3a6v h ALA 124 N 1.00 0.36 -0.52 1.87 0.00 -1.27 1.04 119.26 121.74 3a6v h ALA 124 Ca 0.12 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3a6v h ALA 124 Cb 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3a6v h ALA 124 CO -0.01 -0.31 0.04 -0.22 0.00 0.00 0.00 179.25 178.76 3a6v h LYS 125 N 0.23 0.89 0.09 0.00 3.64 -1.21 -3.15 116.57 117.05 3a6v h LYS 125 Ca 0.15 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3a6v h LYS 125 Cb 0.14 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3a6v h LYS 125 CO -0.17 0.90 -0.04 1.25 -2.27 0.00 0.00 179.45 179.11 3a6v h LEU 126 N 0.77 -0.10 -5.78 5.20 5.85 0.13 -3.28 115.31 118.10 3a6v h LEU 126 Ca 0.15 -0.30 -0.62 0.00 0.84 0.00 0.00 57.88 57.95 3a6v h LEU 126 Cb 0.46 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.53 3a6v h LEU 126 CO 0.02 0.25 2.99 1.17 -0.34 0.00 0.00 178.44 182.54 3a6v n LYS 127 N -4.98 2.56 0.19 1.25 4.81 0.36 -3.45 118.16 118.89 3a6v n LYS 127 Ca -0.08 -2.10 0.00 0.00 -0.87 0.00 0.00 58.31 55.26 3a6v n LYS 127 Cb 0.21 -2.92 0.00 0.00 0.02 0.00 0.00 35.03 32.33 3a6v n LYS 127 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3a6v n ARG 128 N 5.38 0.00 0.00 1.64 0.63 -1.24 -4.82 116.66 118.26 3a6v n ARG 128 Ca 0.56 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.56 3a6v n ARG 128 Cb 0.31 0.00 0.06 0.00 0.45 0.00 0.00 32.46 33.28 3a6v n ARG 128 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01