#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lb5 s TYR 5 N 0.00 2.76 -0.46 0.00 5.04 -1.26 -4.97 117.35 118.45 3lb5 s TYR 5 Ca 0.00 1.07 -0.16 0.00 -2.44 0.00 0.00 57.07 55.54 3lb5 s TYR 5 Cb 0.00 -3.96 0.06 0.00 0.35 0.00 0.00 41.96 38.41 3lb5 s TYR 5 CO 0.00 -2.97 0.42 0.34 -1.34 0.00 0.00 175.55 172.00 3lb5 s ASP 6 N 0.06 6.16 0.00 4.32 2.15 -1.26 -4.94 116.67 123.16 3lb5 s ASP 6 Ca 0.56 -1.14 0.17 0.00 0.43 0.00 0.00 52.55 52.57 3lb5 s ASP 6 Cb -0.45 -2.20 0.80 0.00 -0.30 0.00 0.00 42.92 40.76 3lb5 s ASP 6 CO 0.55 -0.65 1.53 0.59 -0.17 0.00 0.00 175.17 177.02 3lb5 n ASN 7 N 5.38 0.00 -1.50 -0.34 3.02 -1.26 -1.75 115.26 118.81 3lb5 n ASN 7 Ca -0.11 0.28 0.10 0.00 -0.03 0.00 0.00 54.58 54.82 3lb5 n ASN 7 Cb 0.45 -0.40 0.34 0.00 -0.61 0.00 0.00 39.78 39.56 3lb5 n ASN 7 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3lb5 n ASN 8 N -1.40 4.51 -4.73 6.41 5.15 -1.26 -4.50 115.26 119.43 3lb5 n ASN 8 Ca 0.06 -2.32 -0.34 0.00 -0.60 0.00 0.00 54.58 51.37 3lb5 n ASN 8 Cb 0.17 -0.55 0.08 0.00 -0.53 0.00 0.00 39.78 38.95 3lb5 n ASN 8 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3lb5 s ASN 9 N -0.95 4.48 0.39 1.20 2.20 -0.71 -4.76 114.94 116.77 3lb5 s ASN 9 Ca 0.50 2.31 0.07 0.00 -0.94 0.00 0.00 52.86 54.80 3lb5 s ASN 9 Cb 0.31 -2.58 0.78 0.00 -2.00 0.00 0.00 41.25 37.75 3lb5 s ASN 9 CO 0.27 -2.07 1.97 0.16 -2.94 0.00 0.00 177.10 174.49 3lb5 h ILE 10 N -0.08 1.14 0.00 0.54 3.07 -1.94 -1.08 117.51 119.17 3lb5 h ILE 10 Ca -0.48 -0.49 -0.18 0.00 1.55 0.00 0.00 64.86 65.26 3lb5 h ILE 10 Cb 1.29 0.81 -0.02 0.00 -0.27 0.00 0.00 36.82 38.62 3lb5 h ILE 10 CO 0.51 0.18 -0.87 -0.26 -1.05 0.00 0.00 178.15 176.66 3lb5 h PHE 11 N 0.45 0.02 -0.58 0.16 0.04 -1.97 -1.56 116.94 113.51 3lb5 h PHE 11 Ca 0.11 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.78 3lb5 h PHE 11 Cb 0.15 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3lb5 h PHE 11 CO 0.01 0.87 0.02 0.00 -0.60 0.00 0.00 178.31 178.61 3lb5 h ALA 12 N 1.12 0.94 -0.68 2.45 0.00 -1.61 -1.59 119.26 119.89 3lb5 h ALA 12 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3lb5 h ALA 12 Cb 1.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3lb5 h ALA 12 CO 0.11 0.64 0.28 0.87 0.00 0.00 0.00 179.25 181.15 3lb5 h LYS 13 N 0.91 1.02 -0.29 0.00 1.57 -1.12 -2.16 116.57 116.49 3lb5 h LYS 13 Ca 0.17 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3lb5 h LYS 13 Cb 0.50 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3lb5 h LYS 13 CO 0.02 0.84 0.18 1.25 -0.57 0.00 0.00 179.45 181.18 3lb5 h LEU 14 N 0.97 0.31 -0.91 2.94 6.46 -1.12 0.21 115.31 124.17 3lb5 h LEU 14 Ca 0.23 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 58.04 3lb5 h LEU 14 Cb 0.20 -0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 3lb5 h LEU 14 CO -0.02 0.22 0.58 0.40 -0.62 0.00 0.00 178.44 179.00 3lb5 h ILE 15 N 0.38 1.10 0.00 4.05 2.04 -1.11 -0.81 117.51 123.15 3lb5 h ILE 15 Ca 0.11 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3lb5 h ILE 15 Cb -0.03 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 35.97 3lb5 h ILE 15 CO -0.04 0.20 0.00 0.54 0.00 0.00 0.00 178.15 178.85 3lb5 n ARG 16 N -4.55 0.99 -1.73 2.37 1.74 -0.83 -4.90 116.66 109.74 3lb5 n ARG 16 Ca 0.13 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.10 3lb5 n ARG 16 Cb 0.14 -1.43 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3lb5 n ARG 16 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3lb5 n ASN 17 N -0.93 -3.83 0.12 0.55 3.02 -0.31 -4.91 115.26 108.96 3lb5 n ASN 17 Ca 0.21 0.13 0.01 0.00 -0.03 0.00 0.00 54.58 54.89 3lb5 n ASN 17 Cb 0.09 -2.65 -0.01 0.00 -0.61 0.00 0.00 39.78 36.61 3lb5 n ASN 17 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3lb5 h GLU 18 N 0.00 0.00 -4.37 3.52 5.08 -1.18 -3.46 114.58 114.17 3lb5 h GLU 18 Ca -0.23 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.86 3lb5 h GLU 18 Cb 0.92 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.93 3lb5 h GLU 18 CO 0.30 0.55 -0.74 0.96 -1.00 0.00 0.00 179.01 179.08 3lb5 s ILE 19 N -2.92 0.42 0.68 3.13 -4.36 -1.23 -5.00 121.20 111.92 3lb5 s ILE 19 Ca 0.03 -0.71 -0.15 0.00 -0.26 0.00 0.00 60.65 59.56 3lb5 s ILE 19 Cb 0.08 -0.45 0.01 0.00 1.25 0.00 0.00 42.46 43.35 3lb5 s ILE 19 CO 0.76 -0.20 1.12 -2.16 0.24 0.00 0.00 174.94 174.70 3lb5 s PRO 20 N -0.99 2.64 0.02 0.37 0.04 -1.26 -4.52 135.00 131.30 3lb5 s PRO 20 Ca -0.06 1.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.28 3lb5 s PRO 20 Cb -0.07 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3lb5 s PRO 20 CO 0.00 -1.39 0.30 -1.54 0.04 0.00 0.00 177.00 174.41 3lb5 s SER 21 N -2.55 -0.13 -0.67 6.66 1.04 -1.26 -5.01 113.70 111.77 3lb5 s SER 21 Ca 0.68 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.82 3lb5 s SER 21 Cb -0.22 0.34 0.13 0.00 0.10 0.00 0.00 66.02 66.37 3lb5 s SER 21 CO 0.43 -0.56 0.74 -0.69 0.98 0.00 0.00 173.24 174.15 3lb5 s VAL 22 N -2.15 5.00 0.07 5.02 1.01 -1.26 -5.04 120.40 123.05 3lb5 s VAL 22 Ca -0.08 -1.39 -0.18 0.00 0.00 0.00 0.00 61.98 60.32 3lb5 s VAL 22 Cb -0.02 -4.51 -0.07 0.00 0.00 0.00 0.00 36.38 31.79 3lb5 s VAL 22 CO -0.01 -1.13 0.55 -0.13 0.00 0.00 0.00 175.10 174.38 3lb5 s ARG 23 N 2.10 4.15 -0.02 2.72 0.52 -1.26 -1.14 118.95 126.02 3lb5 s ARG 23 Ca 0.14 0.68 0.13 0.00 -0.52 0.00 0.00 55.73 56.16 3lb5 s ARG 23 Cb -0.20 -3.21 -0.20 0.00 0.52 0.00 0.00 34.95 31.86 3lb5 s ARG 23 CO 0.01 0.63 0.31 1.33 0.02 0.00 0.00 175.30 177.60 3lb5 n VAL 24 N 1.64 0.00 -3.59 3.52 0.24 0.60 -4.94 118.33 115.80 3lb5 n VAL 24 Ca -0.10 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.79 3lb5 n VAL 24 Cb 0.51 0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.07 3lb5 n VAL 24 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3lb5 s TYR 25 N -2.87 -0.46 -0.27 6.34 5.04 -1.17 -4.60 117.35 119.35 3lb5 s TYR 25 Ca -0.04 0.92 -0.20 0.00 -2.44 0.00 0.00 57.07 55.31 3lb5 s TYR 25 Cb 0.09 0.41 0.08 0.00 0.35 0.00 0.00 41.96 42.88 3lb5 s TYR 25 CO 0.55 -0.34 0.70 -2.00 -1.34 0.00 0.00 175.55 173.12 3lb5 s GLU 26 N -0.63 0.76 0.00 4.97 2.12 -1.26 -0.74 118.70 123.92 3lb5 s GLU 26 Ca -0.01 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.44 3lb5 s GLU 26 Cb -0.02 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3lb5 s GLU 26 CO 0.00 -0.13 0.00 -0.40 -0.54 0.00 0.00 175.26 174.19 3lb5 n ASP 27 N 3.60 0.75 0.13 -1.70 5.68 -0.81 -4.99 116.55 119.21 3lb5 n ASP 27 Ca -0.17 -0.74 0.17 0.00 -0.50 0.00 0.00 54.79 53.55 3lb5 n ASP 27 Cb 0.57 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.28 3lb5 n ASP 27 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3lb5 h ASP 28 N 0.00 0.00 0.00 -1.12 5.19 -2.03 -3.24 116.42 115.22 3lb5 h ASP 28 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3lb5 h ASP 28 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3lb5 h ASP 28 CO 0.00 0.00 -1.15 0.47 -3.12 0.00 0.00 179.24 175.44 3lb5 n ASP 29 N -4.21 3.23 -4.10 6.45 8.00 -1.26 -4.90 116.55 119.76 3lb5 n ASP 29 Ca 0.04 -0.08 -0.09 0.00 0.71 0.00 0.00 54.79 55.38 3lb5 n ASP 29 Cb 0.40 1.24 -0.10 0.00 -0.02 0.00 0.00 41.12 42.64 3lb5 n ASP 29 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3lb5 s VAL 30 N -2.30 0.36 -0.03 2.53 -7.23 -1.22 -0.39 120.40 112.11 3lb5 s VAL 30 Ca -0.02 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 3lb5 s VAL 30 Cb 0.04 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.63 3lb5 s VAL 30 CO 0.25 -0.86 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.46 3lb5 s ILE 31 N -3.36 0.77 -0.05 -0.62 1.01 -0.83 -1.92 121.20 116.21 3lb5 s ILE 31 Ca 0.04 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.40 3lb5 s ILE 31 Cb 0.04 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 3lb5 s ILE 31 CO -0.07 0.25 -0.21 0.00 0.00 0.00 0.00 174.94 174.91 3lb5 s ALA 32 N 0.25 2.38 0.15 9.38 0.00 0.08 -1.23 121.76 132.77 3lb5 s ALA 32 Ca -0.04 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 3lb5 s ALA 32 Cb -0.09 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.30 3lb5 s ALA 32 CO 0.01 0.50 0.48 -0.59 0.00 0.00 0.00 175.76 176.15 3lb5 s PHE 33 N -0.51 -0.25 0.13 0.00 -0.12 -0.30 -0.29 117.98 116.63 3lb5 s PHE 33 Ca 0.07 -0.05 -0.30 0.00 -0.05 0.00 0.00 56.93 56.59 3lb5 s PHE 33 Cb -0.11 0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 42.56 3lb5 s PHE 33 CO 0.01 -0.79 1.24 -1.64 -0.05 0.00 0.00 175.22 173.99 3lb5 s MET 34 N -3.81 4.43 0.08 1.99 -1.94 -0.29 -0.38 119.30 119.38 3lb5 s MET 34 Ca 0.04 1.88 -0.31 0.00 -1.71 0.00 0.00 55.69 55.60 3lb5 s MET 34 Cb 0.01 -3.28 -0.07 0.00 2.01 0.00 0.00 34.83 33.50 3lb5 s MET 34 CO -0.10 -0.22 1.36 0.34 -0.01 0.00 0.00 175.02 176.38 3lb5 s ASP 35 N 0.66 6.88 0.00 3.03 -1.08 -0.70 -4.77 116.67 120.69 3lb5 s ASP 35 Ca 0.57 2.21 0.29 0.00 -0.52 0.00 0.00 52.55 55.11 3lb5 s ASP 35 Cb -0.32 -2.58 1.35 0.00 -1.46 0.00 0.00 42.92 39.91 3lb5 s ASP 35 CO 0.33 -0.63 1.95 2.30 0.52 0.00 0.00 175.17 179.63 3lb5 n ILE 36 N 4.12 0.00 -3.21 4.11 -5.35 -1.26 -3.50 119.36 114.27 3lb5 n ILE 36 Ca 0.11 -0.03 -0.26 0.00 -0.27 0.00 0.00 62.75 62.31 3lb5 n ILE 36 Cb 0.43 -0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 37.97 3lb5 n ILE 36 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3lb5 n MET 37 N -1.16 2.36 -1.90 6.28 2.81 -1.26 -1.83 117.12 122.41 3lb5 n MET 37 Ca 0.14 -4.41 -0.40 0.00 -1.81 0.00 0.00 57.70 51.22 3lb5 n MET 37 Cb 0.26 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 30.72 3lb5 n MET 37 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3lb5 s PRO 38 N -2.62 3.99 0.27 0.03 0.04 -1.23 -4.90 135.00 130.58 3lb5 s PRO 38 Ca 0.42 2.39 0.25 0.00 0.04 0.00 0.00 61.00 64.10 3lb5 s PRO 38 Cb 0.21 -2.85 0.56 0.00 0.04 0.00 0.00 34.50 32.47 3lb5 s PRO 38 CO -0.07 -0.56 1.63 1.96 0.04 0.00 0.00 177.00 180.00 3lb5 h GLN 39 N 2.78 0.00 -2.73 4.56 4.20 -1.93 -3.46 115.11 118.53 3lb5 h GLN 39 Ca -0.50 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 3lb5 h GLN 39 Cb 1.25 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.87 3lb5 h GLN 39 CO 0.63 0.00 0.11 0.00 -0.67 0.00 0.00 178.83 178.90 3lb5 s ALA 40 N -3.16 -1.47 0.23 3.87 0.00 -1.26 -5.08 121.76 114.89 3lb5 s ALA 40 Ca 0.08 0.67 -0.32 0.00 0.00 0.00 0.00 51.96 52.40 3lb5 s ALA 40 Cb 0.10 0.48 -0.12 0.00 0.00 0.00 0.00 23.12 23.58 3lb5 s ALA 40 CO 0.64 -0.57 1.68 -2.30 0.00 0.00 0.00 175.76 175.22 3lb5 n PRO 41 N 0.23 2.72 -0.43 0.00 -0.02 -1.26 -1.41 135.00 134.83 3lb5 n PRO 41 Ca -0.18 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3lb5 n PRO 41 Cb 0.61 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 3lb5 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3lb5 n GLY 42 N 3.41 0.72 3.60 -1.23 0.00 -1.26 -4.73 105.19 105.70 3lb5 n GLY 42 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.63 3lb5 n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3lb5 n HIS 43 N -2.01 1.95 -4.78 1.61 -0.00 -0.50 -4.80 115.22 106.69 3lb5 n HIS 43 Ca 0.00 0.33 -0.29 0.00 -0.00 0.00 0.00 57.72 57.77 3lb5 n HIS 43 Cb 0.00 -2.53 -0.14 0.00 -0.00 0.00 0.00 29.99 27.32 3lb5 n HIS 43 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3lb5 s THR 44 N 5.03 1.99 -0.05 3.57 2.01 -0.62 -1.73 115.64 125.85 3lb5 s THR 44 Ca 1.02 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 61.68 3lb5 s THR 44 Cb -0.92 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3lb5 s THR 44 CO 0.57 0.29 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.95 3lb5 s LEU 45 N -1.29 3.09 -0.11 4.42 1.43 0.49 -0.92 118.68 125.79 3lb5 s LEU 45 Ca 0.10 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3lb5 s LEU 45 Cb -0.10 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3lb5 s LEU 45 CO 0.02 0.34 -0.23 -0.69 0.23 0.00 0.00 176.35 176.02 3lb5 s VAL 46 N -0.84 2.05 0.07 -1.59 1.01 -0.73 -1.16 120.40 119.22 3lb5 s VAL 46 Ca 0.13 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3lb5 s VAL 46 Cb -0.11 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3lb5 s VAL 46 CO 0.03 0.55 -0.18 0.27 0.00 0.00 0.00 175.10 175.77 3lb5 s ILE 47 N 0.50 1.49 0.51 2.22 -4.36 -0.37 -1.33 121.20 119.86 3lb5 s ILE 47 Ca -0.15 -1.34 -0.19 0.00 -0.26 0.00 0.00 60.65 58.71 3lb5 s ILE 47 Cb -0.17 -1.35 -0.07 0.00 1.25 0.00 0.00 42.46 42.11 3lb5 s ILE 47 CO 0.05 -0.03 1.04 -2.16 0.24 0.00 0.00 174.94 174.08 3lb5 s PRO 48 N -1.61 3.70 0.19 0.37 0.04 -1.26 -1.96 135.00 134.48 3lb5 s PRO 48 Ca 0.04 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.44 3lb5 s PRO 48 Cb -0.09 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.45 3lb5 s PRO 48 CO 0.03 -0.51 1.44 0.87 0.04 0.00 0.00 177.00 178.87 3lb5 h LYS 49 N 1.29 0.13 -6.22 4.56 1.57 -1.06 -3.43 116.57 113.42 3lb5 h LYS 49 Ca -0.49 -0.13 -0.56 0.00 -1.87 0.00 0.00 60.65 57.60 3lb5 h LYS 49 Cb 1.22 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 3lb5 h LYS 49 CO 0.59 0.86 0.71 0.21 -0.57 0.00 0.00 179.45 181.24 3lb5 s LYS 50 N -3.31 4.34 0.23 3.15 2.20 -1.26 -5.00 119.74 120.09 3lb5 s LYS 50 Ca -0.02 1.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.81 3lb5 s LYS 50 Cb 0.11 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 3lb5 s LYS 50 CO 0.81 -0.48 1.17 0.20 -0.36 0.00 0.00 175.35 176.68 3lb5 s GLY 51 N 1.38 2.86 0.15 5.54 0.00 -1.26 -4.98 107.32 111.01 3lb5 s GLY 51 Ca 0.51 0.96 -0.09 0.00 0.00 0.00 0.00 44.72 46.09 3lb5 s GLY 51 CO 0.16 1.72 0.28 -1.35 0.00 0.00 0.00 173.10 173.91 3lb5 s SER 52 N -0.32 0.04 0.20 1.64 1.04 -1.26 -4.96 113.70 110.08 3lb5 s SER 52 Ca 0.49 -0.80 -0.08 0.00 0.48 0.00 0.00 55.95 56.04 3lb5 s SER 52 Cb -0.33 0.42 0.13 0.00 0.10 0.00 0.00 66.02 66.35 3lb5 s SER 52 CO 0.40 -0.87 1.72 0.03 0.98 0.00 0.00 173.24 175.50 3lb5 h ARG 53 N 2.56 1.14 0.00 4.02 3.08 -1.91 -1.73 114.38 121.54 3lb5 h ARG 53 Ca -0.32 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.46 3lb5 h ARG 53 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3lb5 h ARG 53 CO 0.49 1.00 0.00 0.27 -1.07 0.00 0.00 179.97 180.66 3lb5 n ASN 54 N -4.23 0.00 0.09 7.04 0.23 -1.26 -2.51 115.26 114.62 3lb5 n ASN 54 Ca 0.05 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.07 3lb5 n ASN 54 Cb 0.26 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.91 3lb5 n ASN 54 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3lb5 h LEU 55 N 0.00 0.00 -1.41 -4.53 5.85 -1.93 -3.18 115.31 110.10 3lb5 h LEU 55 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3lb5 h LEU 55 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3lb5 h LEU 55 CO 0.00 0.81 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.73 3lb5 h LEU 56 N 0.00 0.23 -1.26 2.25 3.38 -1.98 -3.15 115.31 114.78 3lb5 h LEU 56 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3lb5 h LEU 56 Cb 1.60 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3lb5 h LEU 56 CO 0.11 0.38 -0.05 -0.90 0.09 0.00 0.00 178.44 178.06 3lb5 n ASP 57 N -4.28 1.73 -4.77 -0.43 5.75 -1.25 -5.02 116.55 108.27 3lb5 n ASP 57 Ca -0.01 -1.36 -0.38 0.00 -0.01 0.00 0.00 54.79 53.03 3lb5 n ASP 57 Cb 0.26 0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.45 3lb5 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lb5 s ALA 58 N -0.99 3.06 0.32 2.12 0.00 -1.19 -4.89 121.76 120.18 3lb5 s ALA 58 Ca 0.11 0.99 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 3lb5 s ALA 58 Cb 0.09 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3lb5 s ALA 58 CO 0.16 -0.66 1.40 -0.51 0.00 0.00 0.00 175.76 176.16 3lb5 s ASP 59 N -1.20 6.60 0.35 0.00 1.01 -1.26 -4.92 116.67 117.25 3lb5 s ASP 59 Ca 0.61 2.80 0.02 0.00 0.71 0.00 0.00 52.55 56.69 3lb5 s ASP 59 Cb -0.31 -2.65 0.63 0.00 1.01 0.00 0.00 42.92 41.60 3lb5 s ASP 59 CO 0.38 -0.69 2.00 0.74 0.21 0.00 0.00 175.17 177.81 3lb5 h THR 60 N 3.16 1.15 -0.08 -1.27 2.02 -1.97 -2.18 112.91 113.73 3lb5 h THR 60 Ca -0.49 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 3lb5 h THR 60 Cb 1.23 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3lb5 h THR 60 CO 0.69 0.16 -0.32 -0.33 0.37 0.00 0.00 175.52 176.09 3lb5 h GLU 61 N 0.88 0.16 0.00 6.66 4.39 -2.03 -1.43 114.58 123.21 3lb5 h GLU 61 Ca 0.25 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3lb5 h GLU 61 Cb -0.06 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3lb5 h GLU 61 CO -0.06 0.47 -0.08 1.15 -1.16 0.00 0.00 179.01 179.34 3lb5 h THR 62 N 0.14 0.91 0.00 1.13 2.02 -1.78 -3.01 112.91 112.33 3lb5 h THR 62 Ca 0.02 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3lb5 h THR 62 Cb 0.64 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 3lb5 h THR 62 CO 0.05 0.08 -0.07 -0.07 0.37 0.00 0.00 175.52 175.88 3lb5 h LEU 63 N 0.00 0.00 0.48 2.58 3.38 -1.27 -2.87 115.31 117.61 3lb5 h LEU 63 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3lb5 h LEU 63 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3lb5 h LEU 63 CO 0.01 0.07 -0.23 -0.26 0.09 0.00 0.00 178.44 178.11 3lb5 h PHE 64 N 0.00 -0.60 -0.70 1.13 0.04 -1.63 -0.27 116.94 114.92 3lb5 h PHE 64 Ca -0.00 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.85 3lb5 h PHE 64 Cb 0.61 0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 3lb5 h PHE 64 CO 0.00 -0.38 0.46 -1.00 -0.60 0.00 0.00 178.31 176.79 3lb5 h PRO 65 N -1.10 0.57 0.50 1.51 0.13 -1.73 -1.53 132.00 130.34 3lb5 h PRO 65 Ca -0.07 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 3lb5 h PRO 65 Cb 0.50 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 3lb5 h PRO 65 CO 0.11 0.38 -0.31 0.28 -0.23 0.00 0.00 178.00 178.22 3lb5 h VAL 66 N 0.58 0.35 -0.27 1.56 2.07 -1.47 -1.38 116.25 117.69 3lb5 h VAL 66 Ca 0.32 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 3lb5 h VAL 66 Cb 0.47 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3lb5 h VAL 66 CO -0.11 0.00 -0.07 -0.29 0.02 0.00 0.00 177.57 177.12 3lb5 h ILE 67 N -0.78 1.20 -0.61 4.57 6.09 -0.72 0.11 117.51 127.37 3lb5 h ILE 67 Ca -0.06 -0.85 -0.02 0.00 -1.37 0.00 0.00 64.86 62.56 3lb5 h ILE 67 Cb 0.64 1.08 -0.03 0.00 0.47 0.00 0.00 36.82 38.98 3lb5 h ILE 67 CO 0.05 0.28 0.32 0.50 -3.07 0.00 0.00 178.15 176.23 3lb5 h LYS 68 N 0.41 0.86 -0.51 2.19 3.64 -1.21 -1.67 116.57 120.28 3lb5 h LYS 68 Ca 0.08 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 3lb5 h LYS 68 Cb 0.39 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3lb5 h LYS 68 CO 0.02 0.67 -0.05 0.00 -2.27 0.00 0.00 179.45 177.83 3lb5 h ALA 69 N 1.14 0.95 -0.82 5.00 0.00 -0.68 -1.73 119.26 123.12 3lb5 h ALA 69 Ca 0.21 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3lb5 h ALA 69 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3lb5 h ALA 69 CO -0.03 0.62 0.54 0.28 0.00 0.00 0.00 179.25 180.66 3lb5 h VAL 70 N 0.82 1.21 -0.07 0.00 2.07 -0.67 0.98 116.25 120.59 3lb5 h VAL 70 Ca 0.15 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3lb5 h VAL 70 Cb 0.55 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3lb5 h VAL 70 CO 0.03 0.20 0.02 -0.61 0.02 0.00 0.00 177.57 177.24 3lb5 h GLN 71 N 1.11 0.10 -0.49 1.57 4.15 -1.19 1.00 115.11 121.36 3lb5 h GLN 71 Ca 0.30 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.77 3lb5 h GLN 71 Cb -0.12 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.49 3lb5 h GLN 71 CO -0.06 0.26 0.13 -0.22 -1.93 0.00 0.00 178.83 177.00 3lb5 h LYS 72 N -0.08 0.27 -0.33 1.69 3.64 -1.04 -1.70 116.57 119.02 3lb5 h LYS 72 Ca 0.02 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3lb5 h LYS 72 Cb 0.20 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3lb5 h LYS 72 CO -0.00 0.18 -0.47 0.82 -2.27 0.00 0.00 179.45 177.71 3lb5 h ILE 73 N 0.28 1.28 -0.49 2.00 1.08 -0.75 -1.77 117.51 119.13 3lb5 h ILE 73 Ca 0.24 -1.65 0.10 0.00 -0.39 0.00 0.00 64.86 63.16 3lb5 h ILE 73 Cb 0.30 1.51 -0.09 0.00 -3.07 0.00 0.00 36.82 35.47 3lb5 h ILE 73 CO -0.29 0.54 -0.07 0.00 -0.69 0.00 0.00 178.15 177.65 3lb5 h ALA 74 N 0.77 0.39 -0.30 1.87 0.00 -0.51 0.11 119.26 121.59 3lb5 h ALA 74 Ca 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3lb5 h ALA 74 Cb 1.06 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3lb5 h ALA 74 CO 0.11 -0.42 -0.01 0.87 0.00 0.00 0.00 179.25 179.80 3lb5 h LYS 75 N 0.05 0.54 -0.38 0.00 1.57 -1.20 -1.72 116.57 115.42 3lb5 h LYS 75 Ca 0.24 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3lb5 h LYS 75 Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3lb5 h LYS 75 CO -0.47 0.69 0.15 0.00 -0.57 0.00 0.00 179.45 179.25 3lb5 h ALA 76 N 0.83 0.50 -0.34 3.86 0.00 -1.05 -1.19 119.26 121.87 3lb5 h ALA 76 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3lb5 h ALA 76 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3lb5 h ALA 76 CO 0.02 0.11 0.13 0.28 0.00 0.00 0.00 179.25 179.79 3lb5 h VAL 77 N 0.47 1.19 -0.58 0.00 2.07 -0.77 0.39 116.25 119.02 3lb5 h VAL 77 Ca 0.13 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 67.11 3lb5 h VAL 77 Cb 0.20 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3lb5 h VAL 77 CO -0.01 0.20 0.33 0.50 0.02 0.00 0.00 177.57 178.61 3lb5 h LYS 78 N 0.39 0.62 -0.14 1.57 3.64 -1.16 -2.12 116.57 119.38 3lb5 h LYS 78 Ca 0.11 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3lb5 h LYS 78 Cb 0.19 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3lb5 h LYS 78 CO -0.01 0.41 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.27 3lb5 h LYS 79 N 0.64 0.30 -0.89 1.90 3.64 -1.09 -0.71 116.57 120.35 3lb5 h LYS 79 Ca 0.25 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3lb5 h LYS 79 Cb 0.09 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 3lb5 h LYS 79 CO -0.13 0.67 0.57 0.00 -2.27 0.00 0.00 179.45 178.28 3lb5 h ALA 80 N 0.63 1.21 -0.39 5.00 0.00 -0.80 -2.65 119.26 122.27 3lb5 h ALA 80 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lb5 h ALA 80 Cb 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3lb5 h ALA 80 CO 0.03 0.37 0.00 1.19 0.00 0.00 0.00 179.25 180.83 3lb5 n PHE 81 N -4.56 0.50 -4.09 0.00 3.72 -0.81 -4.94 117.46 107.29 3lb5 n PHE 81 Ca 0.12 -0.30 -0.29 0.00 -0.05 0.00 0.00 57.45 56.93 3lb5 n PHE 81 Cb 0.14 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3lb5 n PHE 81 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3lb5 n GLN 82 N 1.25 -2.79 -2.36 -1.08 1.13 -0.41 -4.91 117.38 108.21 3lb5 n GLN 82 Ca 0.17 0.34 -0.35 0.00 -1.94 0.00 0.00 57.00 55.21 3lb5 n GLN 82 Cb 0.54 -4.47 -0.01 0.00 0.11 0.00 0.00 30.24 26.40 3lb5 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3lb5 s ALA 83 N -3.89 2.84 -0.18 -1.58 0.00 -0.42 -4.96 121.76 113.57 3lb5 s ALA 83 Ca 0.17 0.78 0.16 0.00 0.00 0.00 0.00 51.96 53.07 3lb5 s ALA 83 Cb -0.09 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 19.76 3lb5 s ALA 83 CO 0.92 -0.57 1.34 -0.44 0.00 0.00 0.00 175.76 177.02 3lb5 h ASP 84 N 1.61 0.00 -5.21 0.00 3.32 -1.58 -3.47 116.42 111.08 3lb5 h ASP 84 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 3lb5 h ASP 84 Cb 1.24 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.69 3lb5 h ASP 84 CO 0.59 0.45 -0.13 -0.83 -1.72 0.00 0.00 179.24 177.59 3lb5 s GLY 85 N -4.49 0.36 -0.07 2.75 0.00 -0.90 -4.95 107.32 100.02 3lb5 s GLY 85 Ca 0.03 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.04 3lb5 s GLY 85 CO 0.75 -0.59 -0.06 -0.42 0.00 0.00 0.00 173.10 172.78 3lb5 s ILE 86 N -3.97 0.75 -0.21 0.90 -1.09 -1.26 -0.51 121.20 115.81 3lb5 s ILE 86 Ca 0.18 -0.19 -0.11 0.00 -2.23 0.00 0.00 60.65 58.29 3lb5 s ILE 86 Cb 0.00 -0.77 -0.05 0.00 -1.58 0.00 0.00 42.46 40.07 3lb5 s ILE 86 CO 0.04 0.29 0.19 -0.89 -1.23 0.00 0.00 174.94 173.34 3lb5 s THR 87 N 1.23 5.35 -0.17 2.92 2.01 0.01 -4.96 115.64 122.03 3lb5 s THR 87 Ca -0.05 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 3lb5 s THR 87 Cb -0.14 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 3lb5 s THR 87 CO -0.02 0.37 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.50 3lb5 s VAL 88 N 0.81 3.25 0.05 3.82 1.01 -1.26 -0.70 120.40 127.39 3lb5 s VAL 88 Ca 0.10 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3lb5 s VAL 88 Cb -0.13 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3lb5 s VAL 88 CO 0.03 0.48 -0.16 -0.04 0.00 0.00 0.00 175.10 175.41 3lb5 s MET 89 N 0.79 1.05 -0.10 2.72 -1.94 -0.88 -4.97 119.30 115.97 3lb5 s MET 89 Ca -0.03 -0.87 -0.04 0.00 -1.71 0.00 0.00 55.69 53.04 3lb5 s MET 89 Cb -0.15 -1.11 0.05 0.00 2.01 0.00 0.00 34.83 35.63 3lb5 s MET 89 CO 0.01 0.27 0.22 -1.14 -0.01 0.00 0.00 175.02 174.37 3lb5 s GLN 90 N -1.30 0.16 -0.08 2.03 -0.44 -1.26 -0.45 119.66 118.32 3lb5 s GLN 90 Ca 0.03 0.51 0.03 0.00 -2.50 0.00 0.00 55.36 53.43 3lb5 s GLN 90 Cb -0.09 -0.14 -0.02 0.00 -1.64 0.00 0.00 33.01 31.13 3lb5 s GLN 90 CO 0.02 -0.18 -0.18 -0.06 0.50 0.00 0.00 175.29 175.39 3lb5 s PHE 91 N 1.41 2.65 -0.26 1.67 0.08 -1.26 -5.09 117.98 117.18 3lb5 s PHE 91 Ca -0.08 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.48 3lb5 s PHE 91 Cb -0.11 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.71 3lb5 s PHE 91 CO -0.08 -0.09 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.05 3lb5 s ASN 92 N -0.16 4.36 0.00 1.36 0.01 -1.26 -4.71 114.94 114.53 3lb5 s ASN 92 Ca -0.02 -1.36 0.00 0.00 -0.71 0.00 0.00 52.86 50.77 3lb5 s ASN 92 Cb -0.14 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.01 3lb5 s ASN 92 CO 0.04 -0.19 0.00 -0.62 -1.51 0.00 0.00 177.10 174.82 3lb5 n GLU 93 N 4.46 0.00 -0.31 -0.60 -0.58 -1.26 -4.12 120.64 118.23 3lb5 n GLU 93 Ca -0.14 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.68 3lb5 n GLU 93 Cb 0.42 0.00 0.30 0.00 -0.57 0.00 0.00 31.44 31.59 3lb5 n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lb5 h ALA 94 N 0.00 1.64 0.00 0.62 0.00 -1.95 -1.39 119.26 118.18 3lb5 h ALA 94 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3lb5 h ALA 94 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3lb5 h ALA 94 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.39 3lb5 h ALA 95 N 1.56 1.00 -0.62 0.00 0.00 -1.92 0.62 119.26 119.89 3lb5 h ALA 95 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3lb5 h ALA 95 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3lb5 h ALA 95 CO -0.21 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.49 3lb5 n SER 96 N -2.37 4.73 -3.26 0.00 2.88 -0.60 -4.96 113.62 110.04 3lb5 n SER 96 Ca 0.01 -2.48 -0.24 0.00 -1.33 0.00 0.00 58.87 54.84 3lb5 n SER 96 Cb 0.21 -0.57 0.04 0.00 -0.75 0.00 0.00 64.21 63.14 3lb5 n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lb5 n GLN 97 N 1.01 -5.35 -2.35 -1.46 3.00 0.21 -4.63 117.38 107.83 3lb5 n GLN 97 Ca 0.25 0.80 -0.43 0.00 -0.01 0.00 0.00 57.00 57.62 3lb5 n GLN 97 Cb 0.89 -5.69 -0.02 0.00 0.00 0.00 0.00 30.24 25.42 3lb5 n GLN 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3lb5 s GLN 98 N -5.95 4.26 -0.16 -1.09 0.74 -0.74 -4.89 119.66 111.84 3lb5 s GLN 98 Ca 0.41 1.78 0.15 0.00 0.05 0.00 0.00 55.36 57.75 3lb5 s GLN 98 Cb -0.19 -3.71 -0.21 0.00 1.10 0.00 0.00 33.01 30.00 3lb5 s GLN 98 CO 0.50 -0.64 0.08 0.25 -0.55 0.00 0.00 175.29 174.93 3lb5 n THR 99 N 5.07 1.09 -4.34 -0.34 -2.24 -1.26 -4.34 114.28 107.93 3lb5 n THR 99 Ca 0.13 -0.70 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 3lb5 n THR 99 Cb 0.45 -0.51 -0.16 0.00 -2.10 0.00 0.00 70.33 68.00 3lb5 n THR 99 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3lb5 s VAL 100 N -2.46 1.85 -0.85 2.28 1.01 -1.26 -5.04 120.40 115.92 3lb5 s VAL 100 Ca -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3lb5 s VAL 100 Cb 0.05 -1.67 0.10 0.00 0.00 0.00 0.00 36.38 34.86 3lb5 s VAL 100 CO 0.70 0.51 2.57 -1.22 0.00 0.00 0.00 175.10 177.66 3lb5 n TYR 101 N 4.40 2.07 -4.03 5.22 4.01 -1.26 -4.73 117.16 122.83 3lb5 n TYR 101 Ca -0.19 -2.34 -0.17 0.00 -0.16 0.00 0.00 57.90 55.04 3lb5 n TYR 101 Cb 0.51 -1.57 -0.15 0.00 -0.31 0.00 0.00 39.34 37.81 3lb5 n TYR 101 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3lb5 s HIS 102 N -1.58 0.40 0.04 -0.72 2.46 -1.04 -4.15 115.29 110.69 3lb5 s HIS 102 Ca 0.56 -0.06 -0.36 0.00 0.47 0.00 0.00 55.06 55.67 3lb5 s HIS 102 Cb 0.29 -0.38 -0.15 0.00 -0.13 0.00 0.00 32.58 32.22 3lb5 s HIS 102 CO -0.17 -0.09 1.55 -0.11 -2.47 0.00 0.00 174.74 173.46 3lb5 n LEU 103 N 3.66 2.50 -3.75 8.88 7.94 -0.65 -4.78 117.00 130.80 3lb5 n LEU 103 Ca -0.21 1.08 -0.13 0.00 -1.11 0.00 0.00 56.01 55.63 3lb5 n LEU 103 Cb 0.54 -1.29 -0.09 0.00 0.53 0.00 0.00 43.42 43.10 3lb5 n LEU 103 CO 0.24 -0.56 0.03 -1.38 -1.11 0.00 0.00 177.39 174.61 3lb5 s HIS 104 N 1.56 -0.27 -0.14 1.96 -3.43 -1.26 -4.22 115.29 109.49 3lb5 s HIS 104 Ca 0.86 0.55 -0.04 0.00 -0.80 0.00 0.00 55.06 55.63 3lb5 s HIS 104 Cb -0.84 0.12 -0.03 0.00 -1.43 0.00 0.00 32.58 30.40 3lb5 s HIS 104 CO 0.47 -0.31 -0.00 -0.06 -2.00 0.00 0.00 174.74 172.83 3lb5 s PHE 105 N -0.73 3.12 0.08 0.38 0.08 -0.44 -4.44 117.98 116.02 3lb5 s PHE 105 Ca -0.08 -0.06 -0.23 0.00 0.12 0.00 0.00 56.93 56.68 3lb5 s PHE 105 Cb -0.04 -1.94 -0.06 0.00 -0.57 0.00 0.00 43.02 40.41 3lb5 s PHE 105 CO 0.03 0.16 0.68 -1.01 -0.10 0.00 0.00 175.22 174.98 3lb5 s HIS 106 N 0.01 3.79 -0.24 0.36 3.76 0.41 -1.77 115.29 121.60 3lb5 s HIS 106 Ca 0.03 1.41 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 3lb5 s HIS 106 Cb -0.13 -2.67 0.06 0.00 1.11 0.00 0.00 32.58 30.95 3lb5 s HIS 106 CO 0.02 0.44 -0.05 0.42 -0.85 0.00 0.00 174.74 174.72 3lb5 s ILE 107 N -0.67 1.60 -0.20 0.60 1.09 -0.10 -2.08 121.20 121.45 3lb5 s ILE 107 Ca 0.34 -1.31 0.01 0.00 -1.10 0.00 0.00 60.65 58.59 3lb5 s ILE 107 Cb -0.20 -1.87 0.04 0.00 -1.06 0.00 0.00 42.46 39.36 3lb5 s ILE 107 CO 0.22 -0.13 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.17 3lb5 s ILE 108 N 1.36 1.78 0.44 2.92 1.01 0.12 -1.59 121.20 127.23 3lb5 s ILE 108 Ca -0.05 -1.02 -0.24 0.00 0.00 0.00 0.00 60.65 59.35 3lb5 s ILE 108 Cb -0.19 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 3lb5 s ILE 108 CO -0.07 0.26 1.14 -2.16 0.00 0.00 0.00 174.94 174.12 3lb5 s PRO 109 N 1.35 3.90 0.18 2.79 0.04 -1.26 -0.81 135.00 141.19 3lb5 s PRO 109 Ca -0.00 1.74 0.08 0.00 0.04 0.00 0.00 61.00 62.86 3lb5 s PRO 109 Cb -0.16 -2.49 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 3lb5 s PRO 109 CO -0.09 -0.43 -0.17 1.03 0.04 0.00 0.00 177.00 177.38 3lb5 s ARG 110 N -2.57 1.30 -0.04 4.56 1.81 0.34 -4.85 118.95 119.50 3lb5 s ARG 110 Ca 0.61 -1.46 0.05 0.00 -1.72 0.00 0.00 55.73 53.21 3lb5 s ARG 110 Cb -0.28 -1.31 -0.01 0.00 -0.45 0.00 0.00 34.95 32.91 3lb5 s ARG 110 CO 0.34 0.25 -0.21 -1.64 -0.68 0.00 0.00 175.30 173.37 3lb5 s MET 111 N -3.01 2.02 0.06 3.54 -1.94 -1.26 -1.42 119.30 117.29 3lb5 s MET 111 Ca 0.18 -0.74 -0.34 0.00 -1.71 0.00 0.00 55.69 53.07 3lb5 s MET 111 Cb -0.05 -1.78 -0.13 0.00 2.01 0.00 0.00 34.83 34.88 3lb5 s MET 111 CO 0.07 0.34 1.68 -0.85 -0.01 0.00 0.00 175.02 176.25 3lb5 n GLU 112 N 2.93 2.10 0.00 2.03 0.00 -1.26 -1.03 120.64 125.41 3lb5 n GLU 112 Ca -0.17 0.76 0.00 0.00 0.00 0.00 0.00 57.16 57.75 3lb5 n GLU 112 Cb 0.53 -2.55 0.00 0.00 0.00 0.00 0.00 31.44 29.41 3lb5 n GLU 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3lb5 n GLY 113 N 3.75 2.99 0.00 -1.84 0.00 -1.26 -5.12 105.19 103.71 3lb5 n GLY 113 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3lb5 n GLY 113 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3lb5 n ILE 114 N -1.62 0.00 -2.03 -0.61 2.08 -0.20 -5.31 119.36 111.68 3lb5 n ILE 114 Ca 0.00 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.89 3lb5 n ILE 114 Cb 0.00 -0.59 -0.03 0.00 -0.75 0.00 0.00 39.64 38.27 3lb5 n ILE 114 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3lb5 s ILE 123 N 1.75 3.28 0.12 1.39 1.01 -1.26 -4.33 121.20 123.17 3lb5 s ILE 123 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 60.65 61.03 3lb5 s ILE 123 Cb 0.00 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 3lb5 s ILE 123 CO 0.00 -0.01 1.68 -0.89 0.00 0.00 0.00 174.94 175.73 3lb5 s THR 124 N 2.63 2.68 0.27 2.92 2.01 -0.76 -4.92 115.64 120.47 3lb5 s THR 124 Ca 0.71 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.72 3lb5 s THR 124 Cb -0.37 -3.20 -0.14 0.00 0.01 0.00 0.00 72.50 68.80 3lb5 s THR 124 CO 0.30 0.01 1.08 -2.65 -0.69 0.00 0.00 174.62 172.67 3lb5 n PRO 125 N 5.01 1.41 -0.05 4.92 -0.02 -1.26 -4.78 135.00 140.23 3lb5 n PRO 125 Ca 0.16 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.22 3lb5 n PRO 125 Cb 0.39 -1.92 0.46 0.00 -0.02 0.00 0.00 33.50 32.41 3lb5 n PRO 125 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3lb5 h THR 126 N 2.22 0.99 -0.14 3.45 2.02 -1.99 -1.69 112.91 117.77 3lb5 h THR 126 Ca -0.41 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 3lb5 h THR 126 Cb 1.33 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3lb5 h THR 126 CO 0.64 0.09 -0.15 1.05 0.37 0.00 0.00 175.52 177.52 3lb5 h GLU 127 N 0.49 0.22 -0.26 6.66 9.09 -1.99 0.23 114.58 129.02 3lb5 h GLU 127 Ca 0.23 -0.05 -0.09 0.00 0.05 0.00 0.00 59.36 59.49 3lb5 h GLU 127 Cb 0.27 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 3lb5 h GLU 127 CO -0.06 0.38 -0.20 0.82 0.05 0.00 0.00 179.01 180.00 3lb5 h ILE 128 N 0.21 1.31 -0.80 -1.06 2.04 -1.67 -1.94 117.51 115.60 3lb5 h ILE 128 Ca 0.04 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 3lb5 h ILE 128 Cb 0.40 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3lb5 h ILE 128 CO 0.02 0.42 0.41 -0.07 0.00 0.00 0.00 178.15 178.93 3lb5 h LEU 129 N 0.32 1.02 -0.34 1.44 3.38 -0.99 -2.07 115.31 118.07 3lb5 h LEU 129 Ca 0.05 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 3lb5 h LEU 129 Cb 0.74 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3lb5 h LEU 129 CO 0.05 0.84 -0.09 -0.08 0.09 0.00 0.00 178.44 179.25 3lb5 h GLU 130 N 1.13 0.66 -0.67 1.13 4.57 -0.54 0.10 114.58 120.96 3lb5 h GLU 130 Ca 0.28 -0.26 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 3lb5 h GLU 130 Cb 0.08 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 3lb5 h GLU 130 CO -0.04 0.83 0.19 1.49 -1.18 0.00 0.00 179.01 180.30 3lb5 h GLU 131 N 0.44 1.05 -0.66 1.92 4.81 -1.18 -1.11 114.58 119.86 3lb5 h GLU 131 Ca 0.08 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3lb5 h GLU 131 Cb 0.60 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3lb5 h GLU 131 CO 0.04 0.93 0.38 -0.91 -0.73 0.00 0.00 179.01 178.72 3lb5 h ASN 132 N 0.98 0.81 -0.98 1.04 2.35 -1.29 -2.83 115.58 115.66 3lb5 h ASN 132 Ca 0.21 -0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 3lb5 h ASN 132 Cb 0.33 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 3lb5 h ASN 132 CO -0.00 0.65 0.64 0.00 -1.65 0.00 0.00 177.43 177.07 3lb5 h ALA 133 N 1.19 1.40 -0.46 -0.83 0.00 -0.36 -2.44 119.26 117.76 3lb5 h ALA 133 Ca 0.23 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3lb5 h ALA 133 Cb 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3lb5 h ALA 133 CO -0.04 0.47 0.23 0.87 0.00 0.00 0.00 179.25 180.78 3lb5 h LYS 134 N 1.18 0.45 -0.47 0.00 1.57 -0.98 0.77 116.57 119.09 3lb5 h LYS 134 Ca 0.41 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 59.20 3lb5 h LYS 134 Cb 0.11 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3lb5 h LYS 134 CO -0.15 0.30 0.25 0.87 -0.57 0.00 0.00 179.45 180.15 3lb5 h LYS 135 N 0.46 0.48 -0.30 3.15 1.57 -1.26 -0.06 116.57 120.61 3lb5 h LYS 135 Ca 0.20 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3lb5 h LYS 135 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3lb5 h LYS 135 CO -0.14 0.32 -0.02 0.82 -0.57 0.00 0.00 179.45 179.86 3lb5 h ILE 136 N 0.49 1.26 -0.95 1.86 2.04 -0.98 -2.20 117.51 119.04 3lb5 h ILE 136 Ca 0.20 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.13 3lb5 h ILE 136 Cb 0.09 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3lb5 h ILE 136 CO -0.13 0.32 0.62 0.03 0.00 0.00 0.00 178.15 178.99 3lb5 h ARG 137 N 0.33 1.10 0.00 2.37 3.08 -0.56 -1.46 114.38 119.24 3lb5 h ARG 137 Ca 0.08 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3lb5 h ARG 137 Cb 0.46 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3lb5 h ARG 137 CO 0.02 0.73 -0.27 0.00 -1.07 0.00 0.00 179.97 179.38 3lb5 h ALA 138 N 1.47 1.21 0.00 0.04 0.00 -0.65 -2.83 119.26 118.50 3lb5 h ALA 138 Ca 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3lb5 h ALA 138 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3lb5 h ALA 138 CO -0.14 0.34 -0.27 0.00 0.00 0.00 0.00 179.25 179.18 3lb5 n ALA 139 N -2.33 2.86 0.76 0.00 0.00 -0.58 -5.10 120.51 116.12 3lb5 n ALA 139 Ca -0.01 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.28 3lb5 n ALA 139 Cb 0.38 -1.30 0.36 0.00 0.00 0.00 0.00 19.45 18.89 3lb5 n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78