#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 1.11 -0.03 2.12 1.02 -0.87 -4.98 119.74 118.10 3a6v s LYS 2 Ca 0.00 -1.52 0.01 0.00 0.02 0.00 0.00 55.97 54.48 3a6v s LYS 2 Cb 0.00 -0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 3a6v s LYS 2 CO 0.00 -0.06 -0.02 0.15 -0.92 0.00 0.00 175.35 174.50 3a6v s LYS 3 N -3.85 2.78 -0.16 1.68 1.02 -1.26 -1.13 119.74 118.82 3a6v s LYS 3 Ca 0.21 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.61 3a6v s LYS 3 Cb 0.05 -2.65 0.05 0.00 -0.52 0.00 0.00 37.83 34.76 3a6v s LYS 3 CO 0.03 0.64 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.93 3a6v s LEU 4 N -1.25 1.24 -0.02 3.17 2.96 -0.36 -4.95 118.68 119.46 3a6v s LEU 4 Ca 0.16 -0.61 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 3a6v s LEU 4 Cb -0.11 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 3a6v s LEU 4 CO 0.06 -0.24 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.57 3a6v s GLN 5 N 1.79 2.29 -0.05 1.98 -0.21 -1.26 -1.72 119.66 122.48 3a6v s GLN 5 Ca 0.01 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.61 3a6v s GLN 5 Cb -0.15 -2.23 -0.00 0.00 1.00 0.00 0.00 33.01 31.63 3a6v s GLN 5 CO -0.07 0.59 -0.19 0.42 -2.12 0.00 0.00 175.29 173.92 3a6v s ILE 6 N -0.72 1.58 -0.19 1.08 1.01 -0.04 -0.91 121.20 123.01 3a6v s ILE 6 Ca 0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.89 3a6v s ILE 6 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3a6v s ILE 6 CO 0.01 0.45 0.09 0.00 0.00 0.00 0.00 174.94 175.48 3a6v s ALA 7 N 0.07 3.50 -0.04 9.38 0.00 0.52 -0.62 121.76 134.57 3a6v s ALA 7 Ca -0.06 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.23 3a6v s ALA 7 Cb -0.13 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 3a6v s ALA 7 CO 0.03 0.15 -0.24 0.08 0.00 0.00 0.00 175.76 175.78 3a6v s VAL 8 N 0.40 1.97 -0.24 0.00 1.01 0.14 -1.30 120.40 122.38 3a6v s VAL 8 Ca 0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 3a6v s VAL 8 Cb -0.12 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3a6v s VAL 8 CO -0.00 0.55 -0.04 -0.83 0.00 0.00 0.00 175.10 174.78 3a6v s GLY 9 N -0.37 1.63 -0.48 4.51 0.00 -0.32 -0.47 107.32 111.82 3a6v s GLY 9 Ca 0.03 -1.31 -0.16 0.00 0.00 0.00 0.00 44.72 43.28 3a6v s GLY 9 CO 0.01 0.49 0.41 -0.42 0.00 0.00 0.00 173.10 173.59 3a6v s ILE 10 N 1.42 5.22 -0.42 0.90 1.01 0.73 -3.94 121.20 126.12 3a6v s ILE 10 Ca 0.03 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.43 3a6v s ILE 10 Cb -0.15 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.18 3a6v s ILE 10 CO -0.03 -0.61 0.51 -0.63 0.00 0.00 0.00 174.94 174.18 3a6v s ILE 11 N 1.68 4.99 -0.14 2.92 1.01 -1.26 -0.03 121.20 130.37 3a6v s ILE 11 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3a6v s ILE 11 Cb -0.24 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 3a6v s ILE 11 CO 0.07 -0.45 -0.17 -0.60 0.00 0.00 0.00 174.94 173.79 3a6v s ARG 12 N 2.39 3.18 0.00 2.79 3.52 -0.82 -1.45 118.95 128.56 3a6v s ARG 12 Ca 0.16 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 3a6v s ARG 12 Cb -0.16 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 3a6v s ARG 12 CO 0.15 0.05 0.00 0.27 -0.81 0.00 0.00 175.30 174.96 3a6v n ASN 13 N 3.94 0.00 0.20 -2.12 0.23 -0.52 -4.51 115.26 112.48 3a6v n ASN 13 Ca -0.19 -0.87 0.07 0.00 -0.53 0.00 0.00 54.58 53.05 3a6v n ASN 13 Cb 0.52 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.63 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 -0.55 -3.83 3.07 -1.93 -2.91 114.58 108.43 3a6v h GLU 14 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3a6v h GLU 14 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3a6v h GLU 14 CO 0.00 0.32 0.00 0.09 -1.40 0.00 0.00 179.01 178.02 3a6v n ASN 15 N -3.62 2.35 -2.65 1.42 5.03 -1.26 -4.88 115.26 111.66 3a6v n ASN 15 Ca -0.01 -2.19 -0.19 0.00 0.87 0.00 0.00 54.58 53.06 3a6v n ASN 15 Cb 0.44 -0.38 0.03 0.00 -1.02 0.00 0.00 39.78 38.85 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 0.37 -5.55 -4.73 6.41 5.15 -1.10 -4.92 115.26 110.89 3a6v n ASN 16 Ca 0.11 -0.25 -0.30 0.00 -0.60 0.00 0.00 54.58 53.54 3a6v n ASN 16 Cb 0.45 -4.38 -0.07 0.00 -0.53 0.00 0.00 39.78 35.25 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 -5.55 2.72 -0.03 1.20 2.02 -1.26 -2.09 118.70 115.71 3a6v s GLU 17 Ca 0.26 -0.75 0.07 0.00 0.02 0.00 0.00 54.97 54.57 3a6v s GLU 17 Cb -0.12 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 3a6v s GLU 17 CO 0.33 0.56 -0.22 0.42 0.02 0.00 0.00 175.26 176.37 3a6v s ILE 18 N -1.34 2.41 -0.34 -1.63 1.01 0.48 -1.44 121.20 120.35 3a6v s ILE 18 Ca 0.27 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 3a6v s ILE 18 Cb -0.12 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.48 3a6v s ILE 18 CO 0.20 0.57 0.93 0.12 0.00 0.00 0.00 174.94 176.77 3a6v s PHE 19 N -0.66 3.13 -0.04 3.97 5.36 -0.53 -0.96 117.98 128.25 3a6v s PHE 19 Ca 0.11 0.90 0.04 0.00 -0.96 0.00 0.00 56.93 57.01 3a6v s PHE 19 Cb -0.10 -3.56 -0.03 0.00 -0.34 0.00 0.00 43.02 38.99 3a6v s PHE 19 CO -0.00 -0.75 -0.14 0.42 -1.46 0.00 0.00 175.22 173.29 3a6v s ILE 20 N 3.40 3.07 0.32 3.12 -1.09 -0.39 -4.61 121.20 125.02 3a6v s ILE 20 Ca 0.39 -0.78 0.09 0.00 -2.23 0.00 0.00 60.65 58.12 3a6v s ILE 20 Cb -0.12 -2.22 -0.04 0.00 -1.58 0.00 0.00 42.46 38.49 3a6v s ILE 20 CO 0.16 0.55 0.08 0.42 -1.23 0.00 0.00 174.94 174.92 3a6v s THR 21 N -0.77 3.12 0.27 2.92 -4.23 -0.70 -1.06 115.64 115.19 3a6v s THR 21 Ca 0.12 -1.80 0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3a6v s THR 21 Cb -0.11 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 3a6v s THR 21 CO 0.02 -0.25 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.59 3a6v s ARG 22 N -3.77 1.91 -0.14 3.99 0.52 -0.30 -1.38 118.95 119.78 3a6v s ARG 22 Ca 0.35 -1.62 -0.13 0.00 -0.52 0.00 0.00 55.73 53.81 3a6v s ARG 22 Cb -0.03 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 3a6v s ARG 22 CO 0.21 0.35 -0.26 0.54 0.02 0.00 0.00 175.30 176.17 3a6v n ARG 23 N -0.68 0.43 -0.55 3.54 1.74 -1.26 -4.37 116.66 115.51 3a6v n ARG 23 Ca -0.06 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3a6v n ARG 23 Cb 0.59 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3a6v n ARG 23 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3a6v n LYS 32 N -4.19 0.00 -3.55 5.56 5.02 -1.26 -5.02 118.16 114.71 3a6v n LYS 32 Ca -0.10 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.92 3a6v n LYS 32 Cb 0.38 -0.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.97 3a6v n LYS 32 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3a6v s LEU 33 N -3.59 4.14 0.20 -0.35 1.43 0.09 -5.01 118.68 115.58 3a6v s LEU 33 Ca 0.00 0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 53.33 3a6v s LEU 33 Cb 0.00 -3.27 0.05 0.00 0.03 0.00 0.00 46.19 43.00 3a6v s LEU 33 CO 0.00 -0.14 0.81 -1.83 0.23 0.00 0.00 176.35 175.41 3a6v s GLU 34 N -3.68 1.44 0.21 1.70 -1.05 -0.48 -4.06 118.70 112.79 3a6v s GLU 34 Ca 0.40 -0.76 -0.07 0.00 -0.15 0.00 0.00 54.97 54.39 3a6v s GLU 34 Cb -0.10 0.52 -0.06 0.00 -0.44 0.00 0.00 34.13 34.04 3a6v s GLU 34 CO 0.31 -0.66 0.48 -0.06 0.95 0.00 0.00 175.26 176.29 3a6v s PHE 35 N -3.61 3.45 0.62 4.83 0.08 -1.26 -1.71 117.98 120.38 3a6v s PHE 35 Ca 0.10 0.71 -0.17 0.00 0.12 0.00 0.00 56.93 57.69 3a6v s PHE 35 Cb -0.03 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 3a6v s PHE 35 CO 0.02 0.31 1.17 -2.14 -0.10 0.00 0.00 175.22 174.48 3a6v s PRO 36 N -2.89 2.87 0.00 0.24 0.02 -1.25 -4.85 135.00 129.13 3a6v s PRO 36 Ca 0.44 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.13 3a6v s PRO 36 Cb -0.11 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.47 3a6v s PRO 36 CO 0.24 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.07 3a6v n GLY 37 N 0.18 2.65 0.00 0.52 0.00 -1.26 -1.17 105.19 106.11 3a6v n GLY 37 Ca 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.39 0.95 3.77 -0.02 0.00 -0.42 -4.97 105.19 103.11 3a6v n GLY 38 Ca 0.00 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.81 4.11 -0.35 1.61 2.20 -1.26 -0.35 119.74 123.88 3a6v s LYS 39 Ca 0.00 2.33 -0.22 0.00 -0.36 0.00 0.00 55.97 57.73 3a6v s LYS 39 Cb 0.00 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 3a6v s LYS 39 CO 0.00 -0.44 0.70 0.42 -0.36 0.00 0.00 175.35 175.67 3a6v s ILE 40 N -1.17 4.83 0.70 5.43 1.01 -0.09 -4.83 121.20 127.09 3a6v s ILE 40 Ca 0.53 0.74 -0.11 0.00 0.00 0.00 0.00 60.65 61.82 3a6v s ILE 40 Cb -0.42 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 37.94 3a6v s ILE 40 CO 0.55 -0.34 1.07 -1.61 0.00 0.00 0.00 174.94 174.61 3a6v s GLU 41 N 2.86 2.88 0.24 2.79 0.41 -1.26 -4.71 118.70 121.91 3a6v s GLU 41 Ca 0.27 0.76 -0.31 0.00 -0.41 0.00 0.00 54.97 55.28 3a6v s GLU 41 Cb -0.14 -2.00 -0.12 0.00 -1.78 0.00 0.00 34.13 30.09 3a6v s GLU 41 CO 0.15 -1.09 1.63 -0.12 -0.49 0.00 0.00 175.26 175.35 3a6v n MET 42 N -3.09 2.61 0.00 1.61 1.56 -1.26 -1.77 117.12 116.77 3a6v n MET 42 Ca 0.07 0.93 0.00 0.00 -0.27 0.00 0.00 57.70 58.43 3a6v n MET 42 Cb 0.55 -2.73 0.00 0.00 2.15 0.00 0.00 33.22 33.19 3a6v n MET 42 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3a6v n GLY 43 N 3.04 1.55 3.87 -5.12 0.00 -1.26 -5.05 105.19 102.22 3a6v n GLY 43 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.62 3.81 0.52 1.61 2.02 -0.73 -5.09 118.70 120.22 3a6v s GLU 44 Ca 0.00 0.26 -0.02 0.00 0.02 0.00 0.00 54.97 55.22 3a6v s GLU 44 Cb 0.00 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.44 3a6v s GLU 44 CO 0.00 0.41 0.78 0.95 0.02 0.00 0.00 175.26 177.43 3a6v s THR 45 N -1.65 3.73 0.26 3.63 -4.23 -1.26 -4.87 115.64 111.26 3a6v s THR 45 Ca 0.42 -0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 3a6v s THR 45 Cb -0.13 -3.43 0.26 0.00 1.34 0.00 0.00 72.50 70.55 3a6v s THR 45 CO 0.21 -0.36 1.88 -0.65 -0.54 0.00 0.00 174.62 175.15 3a6v h PRO 46 N 0.11 1.12 -0.61 3.99 0.11 -1.98 -2.20 132.00 132.54 3a6v h PRO 46 Ca -0.45 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3a6v h PRO 46 Cb 1.26 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3a6v h PRO 46 CO 0.58 0.74 0.18 0.93 -0.21 0.00 0.00 178.00 180.23 3a6v h GLU 47 N 1.16 0.95 -0.83 1.05 3.07 -2.00 -2.42 114.58 115.56 3a6v h GLU 47 Ca 0.42 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 59.03 3a6v h GLU 47 Cb 0.15 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 3a6v h GLU 47 CO -0.17 0.85 0.37 1.96 -1.40 0.00 0.00 179.01 180.62 3a6v h GLN 48 N 0.88 1.21 -0.47 2.33 4.20 -1.80 -2.73 115.11 118.74 3a6v h GLN 48 Ca 0.20 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3a6v h GLN 48 Cb 0.30 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3a6v h GLN 48 CO -0.00 0.95 -0.04 0.00 -0.67 0.00 0.00 178.83 179.07 3a6v h ALA 49 N 1.20 0.63 -0.19 3.87 0.00 -1.22 -1.63 119.26 121.93 3a6v h ALA 49 Ca 0.28 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3a6v h ALA 49 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3a6v h ALA 49 CO -0.03 0.47 -0.26 -0.24 0.00 0.00 0.00 179.25 179.19 3a6v h VAL 50 N 0.70 1.26 -0.09 0.00 3.04 -1.35 0.17 116.25 119.98 3a6v h VAL 50 Ca 0.13 -1.22 -0.02 0.00 -1.01 0.00 0.00 66.70 64.58 3a6v h VAL 50 Cb 0.57 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.25 3a6v h VAL 50 CO 0.03 0.38 -0.02 0.58 -1.01 0.00 0.00 177.57 177.53 3a6v h VAL 51 N 0.31 1.29 -0.00 1.51 2.07 -1.34 -2.31 116.25 117.77 3a6v h VAL 51 Ca 0.05 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3a6v h VAL 51 Cb 0.63 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 3a6v h VAL 51 CO 0.05 0.26 0.00 -0.09 0.02 0.00 0.00 177.57 177.81 3a6v h ARG 52 N -0.16 0.01 -0.71 1.57 2.43 -1.05 -1.07 114.38 115.39 3a6v h ARG 52 Ca 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3a6v h ARG 52 Cb 0.42 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3a6v h ARG 52 CO 0.01 0.18 0.45 0.93 -1.51 0.00 0.00 179.97 180.02 3a6v h GLU 53 N -0.17 0.94 -0.08 0.20 4.39 -1.04 0.09 114.58 118.92 3a6v h GLU 53 Ca 0.00 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 3a6v h GLU 53 Cb 0.17 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3a6v h GLU 53 CO -0.00 0.64 -0.64 -0.07 -1.16 0.00 0.00 179.01 177.78 3a6v h LEU 54 N 0.96 0.34 -0.60 1.33 4.07 -1.29 0.12 115.31 120.25 3a6v h LEU 54 Ca 0.26 -0.21 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 3a6v h LEU 54 Cb -0.08 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 3a6v h LEU 54 CO -0.05 0.89 -0.08 1.56 -1.08 0.00 0.00 178.44 179.68 3a6v h GLN 55 N 0.22 1.03 -0.12 1.13 4.20 -0.38 -1.54 115.11 119.64 3a6v h GLN 55 Ca -0.01 -0.36 -0.08 0.00 0.06 0.00 0.00 58.65 58.25 3a6v h GLN 55 Cb 1.17 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3a6v h GLN 55 CO 0.10 1.05 -0.25 0.93 -0.67 0.00 0.00 178.83 180.00 3a6v h GLU 56 N 0.92 0.39 0.23 1.46 5.08 -0.81 -2.81 114.58 119.03 3a6v h GLU 56 Ca 0.15 -0.25 -0.34 0.00 -1.00 0.00 0.00 59.36 57.92 3a6v h GLU 56 Cb 0.64 0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.95 3a6v h GLU 56 CO 0.04 0.85 -1.56 0.93 -1.00 0.00 0.00 179.01 178.27 3a6v h GLU 57 N -0.03 0.48 0.00 2.33 5.08 -0.78 -3.38 114.58 118.29 3a6v h GLU 57 Ca 0.00 -0.82 0.00 0.00 -1.00 0.00 0.00 59.36 57.54 3a6v h GLU 57 Cb 0.84 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3a6v h GLU 57 CO 0.06 1.39 0.00 1.33 -1.00 0.00 0.00 179.01 180.79 3a6v n VAL 58 N -3.66 0.45 -2.24 3.13 0.24 -0.63 -2.45 118.33 113.16 3a6v n VAL 58 Ca -0.19 -0.53 -0.12 0.00 -2.04 0.00 0.00 64.34 61.46 3a6v n VAL 58 Cb 1.09 0.88 -0.00 0.00 -1.47 0.00 0.00 33.84 34.34 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 -0.22 -0.11 3.36 7.63 0.00 -0.89 -1.91 105.19 113.05 3a6v n GLY 59 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.60 1.85 -0.31 -0.61 -4.36 -1.20 -4.31 121.20 109.66 3a6v s ILE 60 Ca 0.01 -2.24 -0.01 0.00 -0.26 0.00 0.00 60.65 58.15 3a6v s ILE 60 Cb -0.00 -2.08 0.06 0.00 1.25 0.00 0.00 42.46 41.69 3a6v s ILE 60 CO 0.01 -0.56 0.01 -0.89 0.24 0.00 0.00 174.94 173.74 3a6v s THR 61 N -2.89 2.82 0.29 8.37 2.01 -0.66 -2.69 115.64 122.89 3a6v s THR 61 Ca 0.23 -1.60 -0.30 0.00 0.31 0.00 0.00 61.69 60.34 3a6v s THR 61 Cb -0.01 -2.70 -0.11 0.00 0.01 0.00 0.00 72.50 69.68 3a6v s THR 61 CO 0.08 -0.21 1.62 -2.84 -0.69 0.00 0.00 174.62 172.58 3a6v s PRO 62 N 1.18 4.11 -0.09 4.92 0.02 -1.26 -1.40 135.00 142.48 3a6v s PRO 62 Ca -0.03 2.60 -0.03 0.00 0.02 0.00 0.00 61.00 63.56 3a6v s PRO 62 Cb -0.20 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 3a6v s PRO 62 CO -0.03 -0.66 -0.11 1.04 -0.33 0.00 0.00 177.00 176.92 3a6v n GLN 63 N 2.33 0.21 -4.07 5.54 6.02 0.12 -4.90 117.38 122.63 3a6v n GLN 63 Ca 0.09 0.07 -0.32 0.00 -0.01 0.00 0.00 57.00 56.83 3a6v n GLN 63 Cb 0.37 -0.97 -0.15 0.00 1.02 0.00 0.00 30.24 30.51 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 -2.18 2.97 0.01 1.08 2.46 0.11 -4.99 115.29 114.76 3a6v s HIS 64 Ca -0.13 -1.99 -0.16 0.00 0.47 0.00 0.00 55.06 53.25 3a6v s HIS 64 Cb 0.04 -1.87 0.03 0.00 -0.13 0.00 0.00 32.58 30.64 3a6v s HIS 64 CO 0.18 -0.84 0.34 -0.59 -2.47 0.00 0.00 174.74 171.36 3a6v s PHE 65 N 1.21 -0.19 0.11 3.88 -0.71 -1.26 -1.70 117.98 119.32 3a6v s PHE 65 Ca -0.03 0.20 0.02 0.00 -1.04 0.00 0.00 56.93 56.08 3a6v s PHE 65 Cb -0.17 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 3a6v s PHE 65 CO -0.08 -0.46 -0.07 -1.54 -1.34 0.00 0.00 175.22 171.74 3a6v s SER 66 N -1.63 1.23 -0.20 1.98 1.04 -0.97 -4.95 113.70 110.20 3a6v s SER 66 Ca -0.10 -1.01 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 3a6v s SER 66 Cb -0.03 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 3a6v s SER 66 CO 0.01 -0.45 1.24 -0.22 0.98 0.00 0.00 173.24 174.81 3a6v s LEU 67 N -3.07 4.12 -0.13 2.42 2.96 -1.26 -0.86 118.68 122.85 3a6v s LEU 67 Ca 0.13 1.57 -0.05 0.00 -0.22 0.00 0.00 54.13 55.56 3a6v s LEU 67 Cb 0.05 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.95 3a6v s LEU 67 CO -0.04 -0.81 0.30 0.33 -1.32 0.00 0.00 176.35 174.82 3a6v n PHE 68 N 6.76 1.11 -3.53 5.38 7.35 0.68 -4.89 117.46 130.31 3a6v n PHE 68 Ca 0.14 0.24 -0.13 0.00 -0.76 0.00 0.00 57.45 56.94 3a6v n PHE 68 Cb 0.45 -1.15 -0.05 0.00 0.35 0.00 0.00 39.48 39.09 3a6v n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3a6v s GLU 69 N -2.55 0.84 -0.10 -4.13 2.56 -1.03 -5.02 118.70 109.28 3a6v s GLU 69 Ca -0.23 0.05 -0.01 0.00 0.00 0.00 0.00 54.97 54.78 3a6v s GLU 69 Cb 0.07 0.40 0.03 0.00 2.00 0.00 0.00 34.13 36.62 3a6v s GLU 69 CO 0.75 -0.29 -0.03 0.21 -0.56 0.00 0.00 175.26 175.34 3a6v s LYS 70 N -1.71 1.04 -0.06 4.30 2.20 -1.26 -0.46 119.74 123.80 3a6v s LYS 70 Ca -0.03 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 3a6v s LYS 70 Cb -0.00 -1.33 -0.03 0.00 -1.51 0.00 0.00 37.83 34.96 3a6v s LYS 70 CO 0.01 -0.31 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.12 3a6v s LEU 71 N 1.84 3.18 -0.02 5.43 1.43 -0.36 -4.96 118.68 125.23 3a6v s LEU 71 Ca 0.05 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3a6v s LEU 71 Cb -0.13 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3a6v s LEU 71 CO -0.07 0.35 -0.24 -1.61 0.23 0.00 0.00 176.35 175.01 3a6v s GLU 72 N -0.90 1.94 -0.10 1.70 0.41 -1.26 -0.38 118.70 120.11 3a6v s GLU 72 Ca 0.13 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 53.82 3a6v s GLU 72 Cb -0.11 -1.89 0.03 0.00 -1.78 0.00 0.00 34.13 30.38 3a6v s GLU 72 CO 0.02 0.52 -0.06 0.71 -0.49 0.00 0.00 175.26 175.96 3a6v s TYR 73 N -0.57 1.28 -0.36 1.61 2.02 0.50 -5.01 117.35 116.81 3a6v s TYR 73 Ca 0.09 -0.61 -0.10 0.00 -0.37 0.00 0.00 57.07 56.09 3a6v s TYR 73 Cb -0.09 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.37 3a6v s TYR 73 CO -0.01 -0.47 0.18 -1.21 -1.57 0.00 0.00 175.55 172.47 3a6v s GLU 74 N 1.78 2.78 0.32 -0.62 2.02 -1.26 -0.75 118.70 122.96 3a6v s GLU 74 Ca 0.05 -1.10 0.10 0.00 0.02 0.00 0.00 54.97 54.04 3a6v s GLU 74 Cb -0.13 -3.65 -0.06 0.00 0.10 0.00 0.00 34.13 30.40 3a6v s GLU 74 CO -0.07 -0.69 -0.07 -0.06 0.02 0.00 0.00 175.26 174.39 3a6v s PHE 75 N 1.51 2.45 -0.04 1.61 0.08 0.02 -5.04 117.98 118.57 3a6v s PHE 75 Ca 0.01 -0.42 -0.34 0.00 0.12 0.00 0.00 56.93 56.30 3a6v s PHE 75 Cb -0.19 -1.33 -0.12 0.00 -0.57 0.00 0.00 43.02 40.81 3a6v s PHE 75 CO 0.06 0.58 1.83 -2.30 -0.10 0.00 0.00 175.22 175.29 3a6v n PRO 76 N -0.82 2.20 -0.79 0.24 -0.02 -1.26 -1.52 135.00 133.04 3a6v n PRO 76 Ca -0.05 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3a6v n PRO 76 Cb 0.62 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 6.12 -1.04 -3.74 2.55 9.92 -1.26 -4.96 116.55 124.14 3a6v n ASP 77 Ca 0.22 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.34 3a6v n ASP 77 Cb 0.30 -1.53 -0.14 0.00 -0.64 0.00 0.00 41.12 39.11 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 -0.67 0.14 -0.22 -1.24 1.81 -0.57 -2.06 118.95 116.14 3a6v s ARG 78 Ca 0.00 0.44 -0.03 0.00 -1.72 0.00 0.00 55.73 54.41 3a6v s ARG 78 Cb 0.00 -0.16 -0.00 0.00 -0.45 0.00 0.00 34.95 34.34 3a6v s ARG 78 CO 0.00 -0.16 -0.06 -1.58 -0.68 0.00 0.00 175.30 172.82 3a6v s HIS 79 N 1.21 2.95 -0.10 -0.53 5.65 -0.28 -0.80 115.29 123.38 3a6v s HIS 79 Ca -0.09 -1.03 0.00 0.00 0.25 0.00 0.00 55.06 54.19 3a6v s HIS 79 Cb -0.11 -2.09 -0.02 0.00 -1.18 0.00 0.00 32.58 29.18 3a6v s HIS 79 CO -0.07 -0.58 -0.11 0.42 -0.65 0.00 0.00 174.74 173.75 3a6v s ILE 80 N 1.45 3.33 -0.07 0.89 1.09 0.07 -1.22 121.20 126.73 3a6v s ILE 80 Ca 0.05 -0.59 0.03 0.00 -1.10 0.00 0.00 60.65 59.05 3a6v s ILE 80 Cb -0.14 -2.38 0.00 0.00 -1.06 0.00 0.00 42.46 38.88 3a6v s ILE 80 CO -0.04 0.55 -0.18 -0.89 -0.10 0.00 0.00 174.94 174.28 3a6v s THR 81 N -0.13 1.53 -0.20 2.92 2.01 -0.70 -0.37 115.64 120.70 3a6v s THR 81 Ca -0.00 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 3a6v s THR 81 Cb -0.13 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 3a6v s THR 81 CO 0.03 0.44 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.61 3a6v s LEU 82 N 0.39 3.06 -0.30 4.42 1.43 0.49 -0.86 118.68 127.31 3a6v s LEU 82 Ca -0.13 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3a6v s LEU 82 Cb -0.15 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3a6v s LEU 82 CO 0.05 0.05 0.11 0.26 0.23 0.00 0.00 176.35 177.04 3a6v s TRP 83 N 1.08 3.15 -0.33 0.29 0.52 0.21 -1.22 118.94 122.65 3a6v s TRP 83 Ca 0.02 -0.79 -0.12 0.00 0.02 0.00 0.00 56.10 55.23 3a6v s TRP 83 Cb -0.15 -2.29 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 3a6v s TRP 83 CO 0.00 -0.52 0.22 -0.06 0.02 0.00 0.00 176.95 176.62 3a6v s PHE 84 N 1.55 3.22 -0.11 -1.98 0.08 0.40 0.25 117.98 121.38 3a6v s PHE 84 Ca 0.04 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 56.84 3a6v s PHE 84 Cb -0.17 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 39.80 3a6v s PHE 84 CO 0.04 -0.34 0.02 -1.58 -0.10 0.00 0.00 175.22 173.26 3a6v s TRP 85 N 1.71 3.21 -0.41 0.36 0.52 0.38 -0.23 118.94 124.48 3a6v s TRP 85 Ca 0.06 0.16 -0.18 0.00 0.02 0.00 0.00 56.10 56.16 3a6v s TRP 85 Cb -0.17 -1.86 0.01 0.00 -1.15 0.00 0.00 33.47 30.30 3a6v s TRP 85 CO 0.10 0.40 0.48 -1.17 0.02 0.00 0.00 176.95 176.77 3a6v s LEU 86 N -0.59 4.68 -0.35 2.99 2.96 -0.04 -0.19 118.68 128.14 3a6v s LEU 86 Ca 0.10 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 3a6v s LEU 86 Cb -0.12 -2.47 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 3a6v s LEU 86 CO 0.02 -0.57 0.23 -0.69 -1.32 0.00 0.00 176.35 174.02 3a6v s VAL 87 N 2.28 5.11 -0.27 1.68 1.01 0.96 -2.28 120.40 128.89 3a6v s VAL 87 Ca 0.15 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3a6v s VAL 87 Cb -0.16 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 3a6v s VAL 87 CO 0.14 -0.07 0.32 -0.62 0.00 0.00 0.00 175.10 174.87 3a6v n GLU 88 N 5.09 2.51 -3.75 2.72 1.02 -0.69 -1.94 120.64 125.59 3a6v n GLU 88 Ca -0.12 -0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 56.83 3a6v n GLU 88 Cb 0.49 -1.05 -0.16 0.00 -0.02 0.00 0.00 31.44 30.70 3a6v n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3a6v s ARG 89 N -2.18 -0.00 0.24 3.49 3.52 -1.13 -4.91 118.95 117.97 3a6v s ARG 89 Ca 0.01 0.28 -0.13 0.00 -0.13 0.00 0.00 55.73 55.75 3a6v s ARG 89 Cb 0.07 -0.25 -0.00 0.00 -1.56 0.00 0.00 34.95 33.20 3a6v s ARG 89 CO 0.39 -0.19 0.48 1.67 -0.81 0.00 0.00 175.30 176.83 3a6v s TRP 90 N 1.26 0.31 -0.13 5.12 -2.14 -1.26 0.12 118.94 122.22 3a6v s TRP 90 Ca -0.07 -0.67 -0.03 0.00 2.66 0.00 0.00 56.10 57.98 3a6v s TRP 90 Cb -0.12 0.21 -0.03 0.00 -3.10 0.00 0.00 33.47 30.42 3a6v s TRP 90 CO -0.04 -0.98 -0.01 -2.00 -2.66 0.00 0.00 176.95 171.26 3a6v s GLU 91 N -4.00 3.40 0.00 3.25 2.12 -0.49 -4.88 118.70 118.10 3a6v s GLU 91 Ca 0.21 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3a6v s GLU 91 Cb -0.01 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.50 3a6v s GLU 91 CO 0.07 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 3a6v n GLY 92 N 2.95 -2.45 3.03 -1.50 0.00 -1.26 -1.65 105.19 104.31 3a6v n GLY 92 Ca -0.18 -2.17 -0.27 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.75 1.93 0.25 1.61 2.56 -1.26 -4.97 118.70 118.08 3a6v s GLU 93 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 54.97 54.20 3a6v s GLU 93 Cb 0.00 -1.64 -0.10 0.00 2.00 0.00 0.00 34.13 34.38 3a6v s GLU 93 CO 0.00 -0.03 1.49 -2.14 -0.56 0.00 0.00 175.26 174.01 3a6v s PRO 94 N 0.89 4.23 0.29 4.30 0.02 -1.26 -4.71 135.00 138.75 3a6v s PRO 94 Ca -0.10 2.38 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 3a6v s PRO 94 Cb -0.15 -3.09 0.01 0.00 0.02 0.00 0.00 34.50 31.29 3a6v s PRO 94 CO 0.01 -0.49 0.58 1.67 -0.33 0.00 0.00 177.00 178.44 3a6v s TRP 95 N 0.07 0.28 -1.47 6.54 1.48 -0.80 -5.05 118.94 119.99 3a6v s TRP 95 Ca 0.61 -0.69 -0.13 0.00 -1.06 0.00 0.00 56.10 54.82 3a6v s TRP 95 Cb -0.43 0.38 0.03 0.00 -1.16 0.00 0.00 33.47 32.28 3a6v s TRP 95 CO 0.44 -1.15 2.29 0.41 -4.06 0.00 0.00 176.95 174.87 3a6v n GLY 96 N -0.44 4.42 0.37 3.67 0.00 -1.26 -4.14 105.19 107.80 3a6v n GLY 96 Ca -0.03 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 5.88 0.83 -0.69 1.61 3.64 -1.77 -0.14 116.57 125.92 3a6v h LYS 97 Ca 0.59 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 3a6v h LYS 97 Cb 0.60 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3a6v h LYS 97 CO 1.87 0.55 0.00 0.39 -2.27 0.00 0.00 179.45 179.98 3a6v n GLU 98 N -4.55 3.25 -0.93 1.90 1.02 -1.22 -4.89 120.64 115.23 3a6v n GLU 98 Ca 0.16 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 3a6v n GLU 98 Cb 0.36 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 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 0.55 0.63 3.90 0.62 0.00 -0.07 -5.05 105.19 105.78 3a6v n GLY 99 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.07 3.64 0.34 1.61 0.00 -1.26 -5.05 119.66 118.87 3a6v s GLN 100 Ca 0.00 0.14 -0.28 0.00 -0.00 0.00 0.00 55.36 55.22 3a6v s GLN 100 Cb 0.00 -2.52 -0.10 0.00 0.00 0.00 0.00 33.01 30.40 3a6v s GLN 100 CO 0.00 0.05 1.21 -2.14 0.00 0.00 0.00 175.29 174.41 3a6v s PRO 101 N -3.96 4.35 -0.13 9.60 0.02 -1.26 -4.35 135.00 139.28 3a6v s PRO 101 Ca 0.46 2.00 -0.17 0.00 0.02 0.00 0.00 61.00 63.31 3a6v s PRO 101 Cb -0.10 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.46 3a6v s PRO 101 CO 0.34 -0.11 0.45 0.20 -0.33 0.00 0.00 177.00 177.55 3a6v s GLY 102 N -0.77 -0.33 0.13 0.52 0.00 -1.26 -1.15 107.32 104.47 3a6v s GLY 102 Ca 0.50 1.09 -0.24 0.00 0.00 0.00 0.00 44.72 46.07 3a6v s GLY 102 CO 0.46 0.89 0.66 -1.83 0.00 0.00 0.00 173.10 173.28 3a6v s GLU 103 N -0.22 1.18 -0.03 2.90 -1.05 -0.22 -4.91 118.70 116.35 3a6v s GLU 103 Ca -0.04 -0.44 -0.25 0.00 -0.15 0.00 0.00 54.97 54.09 3a6v s GLU 103 Cb -0.03 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 3a6v s GLU 103 CO 0.02 -0.52 0.79 -1.58 0.95 0.00 0.00 175.26 174.92 3a6v s TRP 104 N -3.62 3.63 -0.04 4.83 0.52 -1.26 -1.26 118.94 121.74 3a6v s TRP 104 Ca 0.02 1.41 0.04 0.00 0.02 0.00 0.00 56.10 57.59 3a6v s TRP 104 Cb -0.01 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 3a6v s TRP 104 CO -0.12 0.10 -0.14 -1.64 0.02 0.00 0.00 176.95 175.17 3a6v s MET 105 N 0.68 1.55 0.21 4.98 -1.94 -0.14 -4.90 119.30 119.73 3a6v s MET 105 Ca 0.41 -0.51 -0.31 0.00 -1.71 0.00 0.00 55.69 53.57 3a6v s MET 105 Cb -0.19 -1.36 -0.11 0.00 2.01 0.00 0.00 34.83 35.18 3a6v s MET 105 CO 0.22 0.19 1.64 0.45 -0.01 0.00 0.00 175.02 177.51 3a6v s SER 106 N 0.14 6.45 0.17 3.03 0.15 -1.26 -0.38 113.70 121.99 3a6v s SER 106 Ca -0.05 2.80 -0.15 0.00 0.70 0.00 0.00 55.95 59.26 3a6v s SER 106 Cb -0.11 -2.60 0.08 0.00 -1.71 0.00 0.00 66.02 61.67 3a6v s SER 106 CO 0.02 -0.91 1.80 0.25 1.20 0.00 0.00 173.24 175.60 3a6v h LEU 107 N 6.39 0.39 -1.63 3.45 5.85 -1.77 -2.30 115.31 125.69 3a6v h LEU 107 Ca -0.44 0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.43 3a6v h LEU 107 Cb 1.21 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 3a6v h LEU 107 CO 0.91 0.28 0.46 0.58 -0.34 0.00 0.00 178.44 180.33 3a6v h VAL 108 N 0.51 0.82 -0.01 1.05 2.07 -1.90 -1.56 116.25 117.22 3a6v h VAL 108 Ca 0.19 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3a6v h VAL 108 Cb 0.05 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3a6v h VAL 108 CO -0.10 0.07 -0.24 0.61 0.02 0.00 0.00 177.57 177.93 3a6v n GLY 109 N -1.53 -0.57 3.76 2.17 0.00 -0.89 -4.94 105.19 103.20 3a6v n GLY 109 Ca 0.13 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 3a6v n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a6v n LEU 110 N -0.59 4.63 -4.05 0.99 4.77 -0.59 -4.99 117.00 117.17 3a6v n LEU 110 Ca 0.13 1.21 -0.31 0.00 -0.03 0.00 0.00 56.01 57.00 3a6v n LEU 110 Cb 0.35 -1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 39.67 3a6v n LEU 110 CO 0.25 0.13 -0.49 0.21 -1.33 0.00 0.00 177.39 176.16 3a6v s ASN 111 N 0.00 3.18 0.56 -1.43 2.47 -1.26 -5.01 114.94 113.46 3a6v s ASN 111 Ca 0.56 -0.73 0.29 0.00 0.42 0.00 0.00 52.86 53.40 3a6v s ASN 111 Cb -0.48 -1.32 1.47 0.00 -1.45 0.00 0.00 41.25 39.46 3a6v s ASN 111 CO 0.60 -0.08 1.90 0.00 -3.72 0.00 0.00 177.10 175.81 3a6v h ALA 112 N 7.97 2.44 0.00 1.71 0.00 -1.94 0.90 119.26 130.34 3a6v h ALA 112 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3a6v h ALA 112 Cb 1.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3a6v h ALA 112 CO 0.54 -0.84 0.00 -0.44 0.00 0.00 0.00 179.25 178.52 3a6v h ASP 113 N 0.00 0.00 0.92 0.00 3.32 -1.97 -2.64 116.42 116.04 3a6v h ASP 113 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3a6v h ASP 113 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3a6v h ASP 113 CO -0.00 0.00 -0.30 0.47 -1.72 0.00 0.00 179.24 177.69 3a6v n ASP 114 N -2.51 0.47 -4.71 6.45 10.43 0.31 -4.87 116.55 122.13 3a6v n ASP 114 Ca 0.01 0.21 -0.23 0.00 2.57 0.00 0.00 54.79 57.35 3a6v n ASP 114 Cb 0.24 -0.18 -0.06 0.00 1.84 0.00 0.00 41.12 42.95 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 -3.06 2.85 0.50 1.24 0.40 -1.00 -0.73 117.98 118.18 3a6v s PHE 115 Ca 0.11 -0.17 -0.23 0.00 -0.60 0.00 0.00 56.93 56.03 3a6v s PHE 115 Cb 0.16 -1.29 -0.06 0.00 0.51 0.00 0.00 43.02 42.34 3a6v s PHE 115 CO 0.64 0.58 1.33 -2.14 0.70 0.00 0.00 175.22 176.32 3a6v s PRO 116 N -3.62 3.45 0.47 0.24 0.02 -1.26 -4.85 135.00 129.45 3a6v s PRO 116 Ca 0.31 2.18 0.34 0.00 0.02 0.00 0.00 61.00 63.85 3a6v s PRO 116 Cb -0.07 -2.42 1.49 0.00 0.02 0.00 0.00 34.50 33.52 3a6v s PRO 116 CO 0.21 -0.93 1.63 -1.00 -0.33 0.00 0.00 177.00 176.58 3a6v h PRO 117 N 1.87 0.07 -0.36 5.54 0.13 -1.95 -1.81 132.00 135.48 3a6v h PRO 117 Ca -0.50 -0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 3a6v h PRO 117 Cb 1.28 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 3a6v h PRO 117 CO 0.59 0.04 0.25 0.00 -0.23 0.00 0.00 178.00 178.66 3a6v h ALA 118 N 1.48 2.24 0.00 -0.56 0.00 -1.98 -1.51 119.26 118.93 3a6v h ALA 118 Ca 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.72 3a6v h ALA 118 Cb 2.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.55 3a6v h ALA 118 CO -0.32 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 178.69 3a6v n ASN 119 N -4.45 0.00 -0.18 0.00 4.13 -0.68 -4.35 115.26 109.72 3a6v n ASN 119 Ca 0.05 0.18 -0.06 0.00 1.68 0.00 0.00 54.58 56.44 3a6v n ASN 119 Cb 0.38 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 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 0.00 -0.17 0.00 3.52 4.81 -1.44 -0.72 114.58 120.57 3a6v h GLU 120 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3a6v h GLU 120 Cb 0.39 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3a6v h GLU 120 CO 0.00 -0.12 -0.13 -1.00 -0.73 0.00 0.00 179.01 177.03 3a6v h PRO 121 N -0.18 0.00 0.11 0.92 0.13 -1.82 -1.73 132.00 129.42 3a6v h PRO 121 Ca 0.22 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.06 3a6v h PRO 121 Cb 0.55 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.70 3a6v h PRO 121 CO -0.65 0.13 -1.22 0.28 -0.23 0.00 0.00 178.00 176.32 3a6v h VAL 122 N 0.00 1.31 -0.15 1.56 2.07 -1.53 -2.76 116.25 116.76 3a6v h VAL 122 Ca -0.00 -2.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.00 3a6v h VAL 122 Cb 0.29 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 3a6v h VAL 122 CO 0.02 0.76 0.08 0.40 0.02 0.00 0.00 177.57 178.84 3a6v h ILE 123 N 0.26 1.12 -0.74 4.57 1.08 -0.81 -0.90 117.51 122.09 3a6v h ILE 123 Ca -0.17 -0.35 0.08 0.00 -0.39 0.00 0.00 64.86 64.03 3a6v h ILE 123 Cb 1.89 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 36.64 3a6v h ILE 123 CO 0.23 0.11 0.40 0.00 -0.69 0.00 0.00 178.15 178.20 3a6v h ALA 124 N 0.95 1.01 -0.58 1.87 0.00 -1.39 -1.67 119.26 119.45 3a6v h ALA 124 Ca 0.05 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3a6v h ALA 124 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a6v h ALA 124 CO -0.01 0.05 -0.05 -0.22 0.00 0.00 0.00 179.25 179.03 3a6v h LYS 125 N 0.71 1.06 -0.77 0.00 3.64 -1.23 -2.79 116.57 117.19 3a6v h LYS 125 Ca 0.35 -0.36 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3a6v h LYS 125 Cb 0.29 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3a6v h LYS 125 CO -0.22 1.06 0.51 -0.07 -2.27 0.00 0.00 179.45 178.46 3a6v h LEU 126 N 0.95 0.88 -0.28 5.20 3.38 -0.28 -2.93 115.31 122.22 3a6v h LEU 126 Ca 0.16 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 3a6v h LEU 126 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3a6v h LEU 126 CO 0.04 0.63 -0.59 0.11 0.09 0.00 0.00 178.44 178.72 3a6v h LYS 127 N 1.03 0.86 -0.51 1.13 1.57 -1.20 -3.29 116.57 116.16 3a6v h LYS 127 Ca 0.28 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3a6v h LYS 127 Cb -0.10 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3a6v h LYS 127 CO -0.06 1.20 0.28 0.00 -0.57 0.00 0.00 179.45 180.29 3a6v h ARG 128 N 0.65 0.71 0.00 3.15 3.08 -1.32 -3.50 114.38 117.14 3a6v h ARG 128 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3a6v h ARG 128 Cb 1.20 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3a6v h ARG 128 CO 0.13 0.55 0.00 -0.11 -1.07 0.00 0.00 179.97 179.47