#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u6g n LYS 20 N 0.00 0.00 -4.39 1.64 5.02 -1.26 -5.10 118.16 114.07 1u6g n LYS 20 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1u6g n LYS 20 Cb 0.00 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.26 1u6g n LYS 20 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1u6g s ARG 21 N -2.85 1.26 -0.10 1.97 3.00 -1.26 -5.13 118.95 115.84 1u6g s ARG 21 Ca 0.00 -0.27 0.03 0.00 -1.00 0.00 0.00 55.73 54.49 1u6g s ARG 21 Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 34.95 33.83 1u6g s ARG 21 CO 0.00 -0.02 -0.19 -0.06 0.00 0.00 0.00 175.30 175.03 1u6g s PHE 22 N 0.75 2.66 -0.11 5.12 2.99 -1.26 -5.12 117.98 123.01 1u6g s PHE 22 Ca -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 56.93 56.00 1u6g s PHE 22 Cb -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 43.02 41.10 1u6g s PHE 22 CO 0.02 -0.28 -0.13 -1.21 -0.00 0.00 0.00 175.22 173.62 1u6g s GLU 23 N 0.23 3.13 -0.29 0.44 2.02 -1.26 -5.09 118.70 117.88 1u6g s GLU 23 Ca -0.13 -0.68 -0.26 0.00 0.02 0.00 0.00 54.97 53.92 1u6g s GLU 23 Cb -0.16 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.50 1u6g s GLU 23 CO 0.07 0.34 0.93 0.08 0.02 0.00 0.00 175.26 176.70 1u6g s VAL 24 N 0.01 4.69 -0.18 2.63 1.01 -1.26 -4.92 120.40 122.39 1u6g s VAL 24 Ca -0.04 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.51 1u6g s VAL 24 Cb -0.14 -4.25 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 1u6g s VAL 24 CO 0.04 -0.28 0.12 1.17 0.00 0.00 0.00 175.10 176.15 1u6g n LYS 25 N 6.40 0.70 -4.01 2.72 3.00 -1.26 -5.02 118.16 120.69 1u6g n LYS 25 Ca 0.08 0.19 -0.08 0.00 -0.00 0.00 0.00 58.31 58.50 1u6g n LYS 25 Cb 0.47 -1.62 -0.09 0.00 0.00 0.00 0.00 35.03 33.80 1u6g n LYS 25 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1u6g s LYS 26 N -2.54 0.83 -0.28 1.64 1.02 -1.26 -5.15 119.74 114.00 1u6g s LYS 26 Ca -0.24 -1.17 -0.02 0.00 0.02 0.00 0.00 55.97 54.55 1u6g s LYS 26 Cb 0.08 0.28 0.16 0.00 -0.52 0.00 0.00 37.83 37.84 1u6g s LYS 26 CO 0.71 -0.24 0.51 -0.46 -0.92 0.00 0.00 175.35 174.96 1u6g s TRP 27 N -3.93 -1.29 -0.59 3.18 -0.00 -1.26 -5.10 118.94 109.95 1u6g s TRP 27 Ca 0.11 1.40 -0.14 0.00 -0.00 0.00 0.00 56.10 57.47 1u6g s TRP 27 Cb 0.06 0.36 0.15 0.00 -0.00 0.00 0.00 33.47 34.04 1u6g s TRP 27 CO -0.07 -0.81 0.53 -0.80 -0.00 0.00 0.00 176.95 175.81 1u6g s ASN 28 N 2.74 6.20 0.58 5.86 0.02 -1.26 -5.06 114.94 124.02 1u6g s ASN 28 Ca 0.17 -2.04 0.02 0.00 -1.02 0.00 0.00 52.86 49.99 1u6g s ASN 28 Cb -0.15 -2.17 0.05 0.00 0.02 0.00 0.00 41.25 39.01 1u6g s ASN 28 CO -0.19 -0.76 0.81 0.00 0.02 0.00 0.00 177.10 176.99 1u6g s ALA 29 N 1.20 3.93 -0.17 0.60 0.00 -1.26 -5.12 121.76 120.94 1u6g s ALA 29 Ca 0.07 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.44 1u6g s ALA 29 Cb -0.25 -2.01 0.05 0.00 0.00 0.00 0.00 23.12 20.91 1u6g s ALA 29 CO -0.00 -0.88 0.44 0.14 0.00 0.00 0.00 175.76 175.45 1u6g s VAL 30 N -2.82 -0.01 0.05 0.00 -7.23 -1.26 -5.17 120.40 103.96 1u6g s VAL 30 Ca 0.59 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1u6g s VAL 30 Cb -0.09 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 1u6g s VAL 30 CO 0.39 0.02 -0.04 0.00 -0.31 0.00 0.00 175.10 175.16 1u6g s ALA 31 N 0.91 0.51 0.09 1.32 0.00 -1.26 -5.16 121.76 118.18 1u6g s ALA 31 Ca -0.05 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.88 1u6g s ALA 31 Cb -0.06 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1u6g s ALA 31 CO -0.07 -0.26 0.18 -0.51 0.00 0.00 0.00 175.76 175.10 1u6g s LEU 32 N -2.45 4.16 0.04 0.00 1.43 -1.26 -5.11 118.68 115.49 1u6g s LEU 32 Ca 0.01 0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1u6g s LEU 32 Cb 0.01 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1u6g s LEU 32 CO -0.06 0.14 -0.23 -1.66 0.23 0.00 0.00 176.35 174.78 1u6g s TRP 33 N -1.53 2.42 0.08 0.29 1.48 -1.26 -5.13 118.94 115.29 1u6g s TRP 33 Ca 0.33 -0.35 0.02 0.00 -1.06 0.00 0.00 56.10 55.04 1u6g s TRP 33 Cb -0.12 -1.43 -0.04 0.00 -1.16 0.00 0.00 33.47 30.72 1u6g s TRP 33 CO 0.26 0.17 -0.07 0.00 -4.06 0.00 0.00 176.95 173.25 1u6g s ALA 34 N -0.84 0.84 0.25 2.67 0.00 -1.26 -5.11 121.76 118.30 1u6g s ALA 34 Ca 0.13 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 1u6g s ALA 34 Cb -0.10 0.12 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 1u6g s ALA 34 CO 0.03 -0.17 1.40 -1.58 0.00 0.00 0.00 175.76 175.45 1u6g s TRP 35 N -2.92 3.06 -0.46 0.00 0.52 -1.26 -4.88 118.94 113.00 1u6g s TRP 35 Ca 0.05 1.09 0.09 0.00 0.02 0.00 0.00 56.10 57.35 1u6g s TRP 35 Cb 0.00 -3.77 0.57 0.00 -1.15 0.00 0.00 33.47 29.12 1u6g s TRP 35 CO -0.03 -2.46 1.39 -0.40 0.02 0.00 0.00 176.95 175.47 1u6g n ASP 36 N 2.26 4.26 0.00 2.95 3.85 -1.26 -4.34 116.55 124.28 1u6g n ASP 36 Ca 0.06 -2.68 0.05 0.00 -0.71 0.00 0.00 54.79 51.51 1u6g n ASP 36 Cb 0.41 -0.64 0.28 0.00 -1.35 0.00 0.00 41.12 39.82 1u6g n ASP 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u6g n ILE 37 N 0.37 0.59 -2.66 2.12 3.06 -1.26 -4.73 119.36 116.84 1u6g n ILE 37 Ca 0.21 0.15 0.00 0.00 -2.50 0.00 0.00 62.75 60.61 1u6g n ILE 37 Cb 0.94 -0.98 0.00 0.00 0.54 0.00 0.00 39.64 40.15 1u6g n ILE 37 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 1u6g n VAL 38 N -1.23 0.00 -3.44 9.51 0.24 -1.26 -5.15 118.33 117.00 1u6g n VAL 38 Ca 0.06 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.16 1u6g n VAL 38 Cb 0.07 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.33 1u6g n VAL 38 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1u6g s VAL 39 N -2.36 -0.33 -1.20 3.34 1.01 -1.26 -4.88 120.40 114.71 1u6g s VAL 39 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1u6g s VAL 39 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1u6g s VAL 39 CO 0.00 -0.49 0.05 0.47 0.00 0.00 0.00 175.10 175.14 1u6g n ASP 40 N 5.30 0.35 -4.08 3.32 9.92 -1.26 -4.88 116.55 125.23 1u6g n ASP 40 Ca -0.03 -1.02 -0.18 0.00 -0.53 0.00 0.00 54.79 53.02 1u6g n ASP 40 Cb 0.46 -1.26 -0.14 0.00 -0.64 0.00 0.00 41.12 39.54 1u6g n ASP 40 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1u6g s ASN 41 N -4.08 1.28 -0.23 -2.24 3.84 -1.26 -3.55 114.94 108.70 1u6g s ASN 41 Ca 0.04 -0.34 -0.20 0.00 0.21 0.00 0.00 52.86 52.58 1u6g s ASN 41 Cb -0.02 -0.09 -0.02 0.00 -0.55 0.00 0.00 41.25 40.56 1u6g s ASN 41 CO 0.79 0.04 0.59 0.00 -2.79 0.00 0.00 177.10 175.73 1u6g n ALA 43 N 5.34 2.85 -0.10 0.00 0.00 -1.26 -3.67 120.51 123.66 1u6g n ALA 43 Ca -0.02 -0.60 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 1u6g n ALA 43 Cb 0.49 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 1u6g n ALA 43 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1u6g n ILE 44 N 0.22 1.51 -3.69 0.00 5.41 -1.26 -4.82 119.36 116.73 1u6g n ILE 44 Ca 0.09 -0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.46 1u6g n ILE 44 Cb 0.48 -2.21 -0.07 0.00 -0.71 0.00 0.00 39.64 37.14 1u6g n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u6g n ARG 46 N 2.88 2.29 0.00 0.00 1.74 -1.25 -4.45 116.66 117.87 1u6g n ARG 46 Ca -0.16 -2.29 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 1u6g n ARG 46 Cb 0.53 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1u6g n ARG 46 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1u6g n ASN 47 N 0.53 0.00 -3.54 0.55 4.13 -1.24 -4.83 115.26 110.86 1u6g n ASN 47 Ca 0.45 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.56 1u6g n ASN 47 Cb 0.54 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.66 1u6g n ASN 47 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1u6g s HIS 48 N 1.59 -0.40 0.58 3.10 2.46 -1.26 -3.81 115.29 117.55 1u6g s HIS 48 Ca 0.00 0.57 0.26 0.00 0.47 0.00 0.00 55.06 56.36 1u6g s HIS 48 Cb 0.00 -0.20 0.90 0.00 -0.13 0.00 0.00 32.58 33.15 1u6g s HIS 48 CO 0.00 -0.52 1.24 0.44 -2.47 0.00 0.00 174.74 173.43 1u6g n ILE 49 N 5.34 0.00 0.96 0.89 -6.64 -1.23 0.16 119.36 118.83 1u6g n ILE 49 Ca -0.05 1.21 0.12 0.00 -1.77 0.00 0.00 62.75 62.25 1u6g n ILE 49 Cb 0.50 -2.16 0.25 0.00 -1.44 0.00 0.00 39.64 36.79 1u6g n ILE 49 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 1u6g n MET 50 N -3.17 0.03 -4.19 6.28 2.81 -1.26 -4.56 117.12 113.05 1u6g n MET 50 Ca 0.23 0.01 -0.22 0.00 -1.81 0.00 0.00 57.70 55.90 1u6g n MET 50 Cb 1.48 -1.52 -0.06 0.00 -0.71 0.00 0.00 33.22 32.42 1u6g n MET 50 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1u6g s ASP 51 N -3.11 4.95 0.65 7.83 1.01 0.42 -5.09 116.67 123.33 1u6g s ASP 51 Ca 0.11 -0.50 -0.18 0.00 0.71 0.00 0.00 52.55 52.68 1u6g s ASP 51 Cb 0.17 -1.05 -0.01 0.00 1.01 0.00 0.00 42.92 43.04 1u6g s ASP 51 CO 0.70 -0.05 1.27 -0.76 0.21 0.00 0.00 175.17 176.54 1u6g s LEU 52 N -3.77 3.55 0.79 1.23 1.02 -1.26 -4.55 118.68 115.70 1u6g s LEU 52 Ca 0.33 2.56 -0.15 0.00 0.02 0.00 0.00 54.13 56.89 1u6g s LEU 52 Cb -0.07 -4.61 0.02 0.00 0.02 0.00 0.00 46.19 41.55 1u6g s LEU 52 CO 0.22 -1.98 0.75 0.00 0.02 0.00 0.00 176.35 175.36 1u6g h ILE 54 N -0.75 0.46 0.10 0.00 6.09 -1.94 -2.36 117.51 119.12 1u6g h ILE 54 Ca -0.46 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1u6g h ILE 54 Cb 1.32 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.31 1u6g h ILE 54 CO 0.42 0.00 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.12 1u6g h GLU 55 N 0.00 -0.13 -0.78 2.19 4.39 -2.00 -2.80 114.58 115.45 1u6g h GLU 55 Ca 0.19 0.01 0.23 0.00 0.34 0.00 0.00 59.36 60.13 1u6g h GLU 55 Cb 0.97 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 1u6g h GLU 55 CO -0.00 -0.09 0.76 0.00 -1.16 0.00 0.00 179.01 178.52 1u6g h GLN 57 N 0.00 0.94 0.13 0.00 4.15 -1.36 -3.28 115.11 115.69 1u6g h GLN 57 Ca 0.37 -0.33 -0.32 0.00 0.77 0.00 0.00 58.65 59.14 1u6g h GLN 57 Cb 1.89 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.50 1u6g h GLN 57 CO -0.00 0.99 -1.70 0.00 -1.93 0.00 0.00 178.83 176.18 1u6g h ALA 58 N 1.04 0.28 -2.41 3.38 0.00 0.06 -3.48 119.26 118.12 1u6g h ALA 58 Ca 0.14 -1.23 -0.52 0.00 0.00 0.00 0.00 54.91 53.30 1u6g h ALA 58 Cb 0.63 0.59 0.16 0.00 0.00 0.00 0.00 17.79 19.16 1u6g h ALA 58 CO 0.04 1.05 0.31 -0.80 0.00 0.00 0.00 179.25 179.85 1u6g s ASN 59 N -7.08 3.94 0.52 0.00 0.01 -0.20 -4.99 114.94 107.14 1u6g s ASN 59 Ca -0.21 2.11 -0.21 0.00 -0.71 0.00 0.00 52.86 53.84 1u6g s ASN 59 Cb 0.06 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 39.10 1u6g s ASN 59 CO 0.77 -2.42 1.19 -1.58 -1.51 0.00 0.00 177.10 173.55 1u6g s GLN 60 N -4.46 3.41 0.26 -0.60 2.00 -1.26 -4.89 119.66 114.12 1u6g s GLN 60 Ca 0.67 1.81 -0.30 0.00 -2.00 0.00 0.00 55.36 55.54 1u6g s GLN 60 Cb -0.23 -2.19 -0.13 0.00 0.80 0.00 0.00 33.01 31.26 1u6g s GLN 60 CO 0.52 -0.85 1.33 0.00 -0.50 0.00 0.00 175.29 175.80 1u6g n ALA 61 N -0.98 0.89 -3.39 1.58 0.00 -1.26 -4.83 120.51 112.51 1u6g n ALA 61 Ca 0.10 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.94 1u6g n ALA 61 Cb 0.49 -2.23 0.01 0.00 0.00 0.00 0.00 19.45 17.72 1u6g n ALA 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u6g n SER 62 N 1.80 -1.08 -0.28 0.00 3.41 -1.26 -4.98 113.62 111.22 1u6g n SER 62 Ca 0.10 -1.79 0.14 0.00 -0.26 0.00 0.00 58.87 57.07 1u6g n SER 62 Cb 0.32 1.82 0.41 0.00 -0.26 0.00 0.00 64.21 66.50 1u6g n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u6g h ALA 63 N 1.98 1.93 0.20 7.33 0.00 -1.92 -2.55 119.26 126.22 1u6g h ALA 63 Ca -0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1u6g h ALA 63 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1u6g h ALA 63 CO 0.20 -0.21 -0.09 1.15 0.00 0.00 0.00 179.25 180.31 1u6g h THR 64 N 0.61 0.00 -0.48 0.00 2.02 -1.95 -3.28 112.91 109.83 1u6g h THR 64 Ca 0.48 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 67.47 1u6g h THR 64 Cb 0.90 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 1u6g h THR 64 CO -0.23 0.00 -0.04 -0.24 0.37 0.00 0.00 175.52 175.38 1u6g n SER 65 N -3.55 -0.10 -3.72 4.18 2.88 -1.05 -0.13 113.62 112.12 1u6g n SER 65 Ca -0.03 0.81 -0.42 0.00 -1.33 0.00 0.00 58.87 57.90 1u6g n SER 65 Cb 0.10 -0.28 -0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1u6g n SER 65 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u6g n GLU 66 N -4.62 3.49 0.00 -1.46 1.02 -0.99 -3.16 120.64 114.92 1u6g n GLU 66 Ca 0.10 -3.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 1u6g n GLU 66 Cb 0.32 -3.00 0.00 0.00 -0.02 0.00 0.00 31.44 28.74 1u6g n GLU 66 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1u6g n GLU 67 N 4.33 0.00 -1.58 3.49 2.13 0.81 -4.95 120.64 124.86 1u6g n GLU 67 Ca 0.50 0.00 -0.54 0.00 0.66 0.00 0.00 57.16 57.79 1u6g n GLU 67 Cb 0.34 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.99 1u6g n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1u6g n THR 69 N 2.45 0.00 -3.17 0.00 -2.24 -1.26 -5.00 114.28 105.05 1u6g n THR 69 Ca 0.19 -0.02 -0.27 0.00 -2.27 0.00 0.00 64.05 61.69 1u6g n THR 69 Cb 0.17 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 1u6g n THR 69 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1u6g s VAL 70 N -2.77 5.01 -0.07 2.28 1.01 -1.26 0.18 120.40 124.79 1u6g s VAL 70 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 1u6g s VAL 70 Cb -0.00 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1u6g s VAL 70 CO 0.00 -0.51 0.18 0.00 0.00 0.00 0.00 175.10 174.77 1u6g s ALA 71 N -2.31 -0.44 0.14 5.51 0.00 -0.16 -4.50 121.76 120.01 1u6g s ALA 71 Ca 0.44 0.51 0.09 0.00 0.00 0.00 0.00 51.96 53.00 1u6g s ALA 71 Cb -0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1u6g s ALA 71 CO 0.35 -0.09 -0.14 -1.58 0.00 0.00 0.00 175.76 174.30 1u6g s TRP 72 N 0.13 2.59 0.22 0.00 0.52 -0.79 -1.97 118.94 119.63 1u6g s TRP 72 Ca -0.00 -0.24 0.06 0.00 0.02 0.00 0.00 56.10 55.94 1u6g s TRP 72 Cb -0.02 -1.33 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1u6g s TRP 72 CO 0.00 0.44 0.19 0.20 0.02 0.00 0.00 176.95 177.81 1u6g s GLY 73 N -2.40 1.51 0.15 0.98 0.00 -0.92 -0.90 107.32 105.73 1u6g s GLY 73 Ca 0.21 -1.31 0.09 0.00 0.00 0.00 0.00 44.72 43.70 1u6g s GLY 73 CO 0.12 -1.34 1.21 3.33 0.00 0.00 0.00 173.10 176.42 1u6g n VAL 74 N -0.88 1.32 1.03 1.40 0.24 -0.66 0.10 118.33 120.89 1u6g n VAL 74 Ca -0.08 0.61 0.12 0.00 -2.04 0.00 0.00 64.34 62.96 1u6g n VAL 74 Cb 0.57 -1.61 0.30 0.00 -1.47 0.00 0.00 33.84 31.63 1u6g n VAL 74 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u6g n ASN 76 N -1.41 -1.66 -4.73 0.00 4.05 0.28 -5.02 115.26 106.76 1u6g n ASN 76 Ca 0.06 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.74 1u6g n ASN 76 Cb 0.34 -0.89 -0.09 0.00 1.23 0.00 0.00 39.78 40.37 1u6g n ASN 76 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1u6g s HIS 77 N -2.09 3.28 0.07 1.20 3.76 -1.26 -4.38 115.29 115.87 1u6g s HIS 77 Ca 0.00 0.28 0.08 0.00 -0.15 0.00 0.00 55.06 55.26 1u6g s HIS 77 Cb 0.00 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 1u6g s HIS 77 CO 0.00 0.53 -0.17 0.00 -0.85 0.00 0.00 174.74 174.25 1u6g s ALA 78 N -0.89 2.68 0.27 -1.40 0.00 -1.26 -2.17 121.76 118.99 1u6g s ALA 78 Ca 0.13 -1.25 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 1u6g s ALA 78 Cb -0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1u6g s ALA 78 CO 0.03 0.59 0.44 -0.06 0.00 0.00 0.00 175.76 176.75 1u6g s PHE 79 N -1.04 0.68 0.35 0.00 0.40 -0.83 -4.57 117.98 112.96 1u6g s PHE 79 Ca 0.17 -0.99 -0.27 0.00 -0.60 0.00 0.00 56.93 55.24 1u6g s PHE 79 Cb -0.11 0.02 -0.09 0.00 0.51 0.00 0.00 43.02 43.36 1u6g s PHE 79 CO 0.08 -1.00 1.12 -1.01 0.70 0.00 0.00 175.22 175.11 1u6g s HIS 80 N -3.70 3.32 0.45 0.36 3.76 -1.26 -0.98 115.29 117.24 1u6g s HIS 80 Ca 0.27 1.62 0.20 0.00 -0.15 0.00 0.00 55.06 57.00 1u6g s HIS 80 Cb 0.00 -3.30 1.17 0.00 1.11 0.00 0.00 32.58 31.56 1u6g s HIS 80 CO 0.13 -0.88 1.90 0.35 -0.85 0.00 0.00 174.74 175.39 1u6g h PHE 81 N 3.11 0.37 0.22 1.40 -0.00 0.17 -2.26 116.94 119.95 1u6g h PHE 81 Ca -0.48 0.01 -0.34 0.00 -0.00 0.00 0.00 57.97 57.16 1u6g h PHE 81 Cb 1.22 -0.11 0.02 0.00 -0.00 0.00 0.00 35.95 37.08 1u6g h PHE 81 CO 0.57 0.12 -1.60 0.45 -0.00 0.00 0.00 178.31 177.85 1u6g h HIS 82 N 0.29 0.85 -0.32 0.41 3.86 -1.90 -1.86 115.15 116.49 1u6g h HIS 82 Ca 0.40 -0.62 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1u6g h HIS 82 Cb 1.11 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 1u6g h HIS 82 CO -0.00 1.60 0.14 0.00 0.86 0.00 0.00 177.93 180.53 1u6g h ILE 84 N 0.37 1.33 -0.90 0.00 6.09 -1.55 -2.06 117.51 120.79 1u6g h ILE 84 Ca 0.11 -1.86 0.09 0.00 -1.37 0.00 0.00 64.86 61.83 1u6g h ILE 84 Cb 0.14 2.10 -0.06 0.00 0.47 0.00 0.00 36.82 39.46 1u6g h ILE 84 CO -0.01 0.57 0.58 -1.28 -3.07 0.00 0.00 178.15 174.94 1u6g h SER 85 N 0.28 0.83 -0.05 2.19 0.87 -1.33 0.00 113.55 116.33 1u6g h SER 85 Ca -0.04 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1u6g h SER 85 Cb 1.23 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1u6g h SER 85 CO 0.12 0.49 0.01 -0.09 -0.53 0.00 0.00 176.83 176.83 1u6g h ARG 86 N 0.92 0.08 -0.46 2.24 2.43 -1.22 -3.08 114.38 115.29 1u6g h ARG 86 Ca 0.41 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.65 1u6g h ARG 86 Cb 0.37 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.84 1u6g h ARG 86 CO -0.18 0.33 -0.01 2.35 -1.51 0.00 0.00 179.97 180.95 1u6g h TRP 87 N -0.18 -0.05 0.00 2.20 2.91 -0.49 -0.46 115.95 119.88 1u6g h TRP 87 Ca 0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1u6g h TRP 87 Cb 0.29 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 1u6g h TRP 87 CO 0.02 -0.11 0.00 1.28 -1.03 0.00 0.00 178.44 178.60 1u6g n LEU 88 N -5.23 0.43 0.30 0.65 4.77 -0.13 -2.41 117.00 115.38 1u6g n LEU 88 Ca 0.04 0.66 0.16 0.00 -0.03 0.00 0.00 56.01 56.84 1u6g n LEU 88 Cb 0.25 -0.66 0.94 0.00 -2.33 0.00 0.00 43.42 41.62 1u6g n LEU 88 CO 0.17 -0.67 1.13 0.50 -1.33 0.00 0.00 177.39 177.18 1u6g h LYS 89 N 0.00 0.00 0.00 3.23 3.64 -0.99 -3.32 116.57 119.13 1u6g h LYS 89 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1u6g h LYS 89 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1u6g h LYS 89 CO 0.00 0.01 -1.32 0.25 -2.27 0.00 0.00 179.45 176.11 1u6g n THR 90 N -3.77 0.32 -3.32 1.00 -2.24 -1.01 -5.08 114.28 100.19 1u6g n THR 90 Ca -0.03 -0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1u6g n THR 90 Cb 0.09 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 1u6g n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u6g s ARG 91 N -2.11 2.57 -0.12 -0.78 3.03 -1.15 -5.08 118.95 115.32 1u6g s ARG 91 Ca -0.08 -1.50 0.19 0.00 2.03 0.00 0.00 55.73 56.37 1u6g s ARG 91 Cb 0.03 -2.53 0.43 0.00 -1.03 0.00 0.00 34.95 31.86 1u6g s ARG 91 CO 0.10 -0.37 1.19 1.04 -1.13 0.00 0.00 175.30 176.14 1u6g n GLN 92 N -1.78 0.98 -4.18 3.89 3.00 -1.26 -4.11 117.38 113.92 1u6g n GLN 92 Ca 0.07 -2.76 -0.13 0.00 -0.01 0.00 0.00 57.00 54.16 1u6g n GLN 92 Cb 0.61 -0.90 -0.11 0.00 0.00 0.00 0.00 30.24 29.84 1u6g n GLN 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1u6g s VAL 93 N -1.85 0.88 -0.15 5.09 -7.23 -1.26 -2.89 120.40 112.98 1u6g s VAL 93 Ca 0.36 -1.73 -0.32 0.00 -1.81 0.00 0.00 61.98 58.48 1u6g s VAL 93 Cb 0.38 -1.45 -0.10 0.00 0.56 0.00 0.00 36.38 35.77 1u6g s VAL 93 CO -0.11 -0.65 2.04 0.00 -0.31 0.00 0.00 175.10 176.07 1u6g n PRO 95 N 7.59 0.30 0.00 0.00 -0.04 -1.26 -1.82 135.00 139.77 1u6g n PRO 95 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1u6g n PRO 95 Cb 0.33 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1u6g n PRO 95 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1u6g n LEU 96 N -0.65 0.34 -2.72 1.53 7.94 -1.26 -4.94 117.00 117.24 1u6g n LEU 96 Ca 0.02 -0.34 -0.07 0.00 -1.11 0.00 0.00 56.01 54.51 1u6g n LEU 96 Cb 0.01 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.02 1u6g n LEU 96 CO 0.02 0.08 0.33 -0.90 -1.11 0.00 0.00 177.39 175.81 1u6g n ASP 97 N -0.02 -2.40 -2.35 1.96 5.68 -0.76 -5.08 116.55 113.58 1u6g n ASP 97 Ca 0.00 -2.82 -0.06 0.00 -0.50 0.00 0.00 54.79 51.41 1u6g n ASP 97 Cb 0.21 1.48 -0.06 0.00 -1.14 0.00 0.00 41.12 41.61 1u6g n ASP 97 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1u6g n ASN 98 N 1.62 -0.98 -3.68 -1.12 4.13 -1.20 -4.40 115.26 109.62 1u6g n ASN 98 Ca 0.07 -0.57 -0.13 0.00 1.68 0.00 0.00 54.58 55.63 1u6g n ASN 98 Cb 0.65 -0.32 -0.09 0.00 -1.54 0.00 0.00 39.78 38.49 1u6g n ASN 98 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1u6g s ARG 99 N 3.29 0.65 0.13 3.52 3.52 -1.26 -4.98 118.95 123.82 1u6g s ARG 99 Ca 0.33 0.83 -0.35 0.00 -0.13 0.00 0.00 55.73 56.41 1u6g s ARG 99 Cb -0.21 0.28 -0.15 0.00 -1.56 0.00 0.00 34.95 33.31 1u6g s ARG 99 CO 0.14 -0.09 1.52 -1.91 -0.81 0.00 0.00 175.30 174.15 1u6g n GLU 100 N 3.01 1.85 -2.14 5.12 2.13 -1.26 -1.53 120.64 127.82 1u6g n GLU 100 Ca -0.15 0.67 -0.37 0.00 0.66 0.00 0.00 57.16 57.97 1u6g n GLU 100 Cb 0.56 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1u6g n GLU 100 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 1u6g s TRP 101 N 0.89 2.72 -0.09 4.31 -0.11 -1.14 -4.72 118.94 120.79 1u6g s TRP 101 Ca 0.81 1.50 -0.05 0.00 1.22 0.00 0.00 56.10 59.58 1u6g s TRP 101 Cb -0.76 -3.48 0.04 0.00 -1.50 0.00 0.00 33.47 27.77 1u6g s TRP 101 CO 0.41 -1.86 0.21 -2.00 -4.62 0.00 0.00 176.95 169.09 1u6g s GLU 102 N -2.77 0.18 1.01 5.86 2.12 -1.26 -4.96 118.70 118.87 1u6g s GLU 102 Ca 0.66 0.47 -0.15 0.00 0.36 0.00 0.00 54.97 56.31 1u6g s GLU 102 Cb -0.31 -0.12 0.20 0.00 0.26 0.00 0.00 34.13 34.15 1u6g s GLU 102 CO 0.38 -0.15 1.17 -0.06 -0.54 0.00 0.00 175.26 176.05 1u6g s PHE 103 N 1.15 1.72 0.00 5.30 0.40 -1.26 -1.65 117.98 123.64 1u6g s PHE 103 Ca -0.09 0.64 0.00 0.00 -0.60 0.00 0.00 56.93 56.89 1u6g s PHE 103 Cb -0.10 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.87 1u6g s PHE 103 CO -0.07 -2.89 0.00 0.94 0.70 0.00 0.00 175.22 173.90 1u6g n GLN 104 N -4.07 0.00 -3.61 0.44 7.27 -0.08 -4.21 117.38 113.12 1u6g n GLN 104 Ca 0.10 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.03 1u6g n GLN 104 Cb 0.59 -0.02 -0.06 0.00 2.41 0.00 0.00 30.24 33.16 1u6g n GLN 104 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1u6g s LYS 105 N -1.00 0.97 0.00 3.69 2.20 -1.23 -5.00 119.74 119.37 1u6g s LYS 105 Ca 0.00 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 1u6g s LYS 105 Cb 0.00 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1u6g s LYS 105 CO 0.00 -0.33 0.49 0.66 -0.36 0.00 0.00 175.35 175.81