#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lb5 s ALA 4 N 0.00 3.30 0.41 2.61 0.00 -1.26 -5.02 121.76 121.80 3lb5 s ALA 4 Ca 0.00 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.21 3lb5 s ALA 4 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 3lb5 s ALA 4 CO 0.00 0.21 1.39 -0.47 0.00 0.00 0.00 175.76 176.89 3lb5 s TYR 5 N -1.40 2.64 -0.49 0.00 5.04 -1.26 -4.97 117.35 116.90 3lb5 s TYR 5 Ca 0.45 1.30 -0.14 0.00 -2.44 0.00 0.00 57.07 56.24 3lb5 s TYR 5 Cb -0.22 -3.84 0.10 0.00 0.35 0.00 0.00 41.96 38.35 3lb5 s TYR 5 CO 0.27 -2.60 0.41 0.34 -1.34 0.00 0.00 175.55 172.63 3lb5 s ASP 6 N -0.51 6.04 0.09 4.32 2.15 -1.26 -4.94 116.67 122.56 3lb5 s ASP 6 Ca 0.57 -1.58 0.13 0.00 0.43 0.00 0.00 52.55 52.10 3lb5 s ASP 6 Cb -0.42 -2.15 0.59 0.00 -0.30 0.00 0.00 42.92 40.64 3lb5 s ASP 6 CO 0.55 -0.71 1.41 0.59 -0.17 0.00 0.00 175.17 176.83 3lb5 n ASN 7 N 5.15 0.20 -0.80 -0.34 3.02 -1.26 -1.91 115.26 119.31 3lb5 n ASN 7 Ca -0.12 0.56 0.11 0.00 -0.03 0.00 0.00 54.58 55.11 3lb5 n ASN 7 Cb 0.42 -0.60 0.30 0.00 -0.61 0.00 0.00 39.78 39.29 3lb5 n ASN 7 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lb5 n ASN 8 N -1.74 2.40 -4.75 6.41 4.13 -1.26 -4.49 115.26 115.97 3lb5 n ASN 8 Ca 0.02 -1.83 -0.37 0.00 1.68 0.00 0.00 54.58 54.08 3lb5 n ASN 8 Cb 0.12 -0.15 0.05 0.00 -1.54 0.00 0.00 39.78 38.26 3lb5 n ASN 8 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3lb5 s ASN 9 N -1.58 5.06 0.48 6.41 2.20 -0.81 -4.76 114.94 121.94 3lb5 s ASN 9 Ca 0.34 2.58 0.15 0.00 -0.94 0.00 0.00 52.86 54.99 3lb5 s ASN 9 Cb 0.20 -2.62 1.13 0.00 -2.00 0.00 0.00 41.25 37.95 3lb5 s ASN 9 CO 0.29 -1.70 2.07 0.16 -2.94 0.00 0.00 177.10 174.98 3lb5 h ILE 10 N 0.99 1.07 -0.12 0.54 3.07 -1.93 -1.66 117.51 119.47 3lb5 h ILE 10 Ca -0.51 -0.30 -0.22 0.00 1.55 0.00 0.00 64.86 65.38 3lb5 h ILE 10 Cb 1.31 1.14 0.01 0.00 -0.27 0.00 0.00 36.82 39.01 3lb5 h ILE 10 CO 0.55 0.09 -0.81 -0.26 -1.05 0.00 0.00 178.15 176.67 3lb5 h PHE 11 N 0.02 0.97 -0.98 0.16 0.04 -1.97 -0.84 116.94 114.35 3lb5 h PHE 11 Ca 0.01 -0.45 0.05 0.00 2.80 0.00 0.00 57.97 60.38 3lb5 h PHE 11 Cb 0.15 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.10 3lb5 h PHE 11 CO 0.00 1.27 0.64 0.00 -0.60 0.00 0.00 178.31 179.62 3lb5 h ALA 12 N 0.61 1.39 -0.60 2.45 0.00 -1.71 -1.29 119.26 120.10 3lb5 h ALA 12 Ca -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3lb5 h ALA 12 Cb 1.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3lb5 h ALA 12 CO 0.16 0.49 0.11 0.87 0.00 0.00 0.00 179.25 180.88 3lb5 h LYS 13 N 1.20 0.99 -0.11 0.00 1.57 -1.21 -1.96 116.57 117.05 3lb5 h LYS 13 Ca 0.40 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3lb5 h LYS 13 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3lb5 h LYS 13 CO -0.14 0.92 -0.03 1.25 -0.57 0.00 0.00 179.45 180.89 3lb5 h LEU 14 N 0.89 -0.10 -0.69 2.94 6.46 -0.84 -0.14 115.31 123.83 3lb5 h LEU 14 Ca 0.18 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.05 3lb5 h LEU 14 Cb 0.41 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 3lb5 h LEU 14 CO 0.01 -0.03 0.37 0.40 -0.62 0.00 0.00 178.44 178.57 3lb5 h ILE 15 N 0.00 0.92 0.00 4.05 2.04 -1.10 -0.63 117.51 122.79 3lb5 h ILE 15 Ca 0.05 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3lb5 h ILE 15 Cb 0.08 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3lb5 h ILE 15 CO -0.11 0.12 0.00 0.54 0.00 0.00 0.00 178.15 178.70 3lb5 n ARG 16 N -4.81 0.96 -2.27 2.37 1.74 -0.75 -4.90 116.66 109.00 3lb5 n ARG 16 Ca 0.10 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 3lb5 n ARG 16 Cb 0.22 -1.20 -0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.70 -3.79 0.03 0.55 3.02 -0.24 -4.91 115.26 109.21 3lb5 n ASN 17 Ca 0.09 -0.03 0.11 0.00 -0.03 0.00 0.00 54.58 54.73 3lb5 n ASN 17 Cb 0.04 -2.98 -0.08 0.00 -0.61 0.00 0.00 39.78 36.15 3lb5 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3lb5 n GLU 18 N -2.17 0.49 -4.19 3.52 1.02 -0.11 -4.92 120.64 114.29 3lb5 n GLU 18 Ca -0.13 -0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 56.80 3lb5 n GLU 18 Cb 0.60 -1.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.31 3lb5 n GLU 18 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3lb5 s ILE 19 N -3.36 1.00 0.63 -3.67 -4.36 -1.23 -4.98 121.20 105.24 3lb5 s ILE 19 Ca -0.02 -1.69 -0.11 0.00 -0.26 0.00 0.00 60.65 58.57 3lb5 s ILE 19 Cb 0.13 -1.43 -0.03 0.00 1.25 0.00 0.00 42.46 42.39 3lb5 s ILE 19 CO 0.85 -0.56 1.04 -2.16 0.24 0.00 0.00 174.94 174.35 3lb5 s PRO 20 N -2.87 3.48 0.15 0.37 0.04 -1.26 -4.62 135.00 130.28 3lb5 s PRO 20 Ca 0.07 0.70 -0.06 0.00 0.04 0.00 0.00 61.00 61.75 3lb5 s PRO 20 Cb -0.02 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 3lb5 s PRO 20 CO 0.00 -0.64 0.20 -1.54 0.04 0.00 0.00 177.00 175.06 3lb5 s SER 21 N -4.21 0.14 -0.56 6.66 1.04 -1.26 -5.00 113.70 110.52 3lb5 s SER 21 Ca 0.55 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 55.95 3lb5 s SER 21 Cb -0.11 0.38 0.15 0.00 0.10 0.00 0.00 66.02 66.53 3lb5 s SER 21 CO 0.54 -0.82 0.40 -0.69 0.98 0.00 0.00 173.24 173.64 3lb5 s VAL 22 N -3.99 3.94 0.04 5.02 1.01 -1.26 -5.05 120.40 120.12 3lb5 s VAL 22 Ca 0.19 -2.41 -0.20 0.00 0.00 0.00 0.00 61.98 59.55 3lb5 s VAL 22 Cb 0.05 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3lb5 s VAL 22 CO -0.00 -0.83 0.60 -0.13 0.00 0.00 0.00 175.10 174.74 3lb5 s ARG 23 N 0.59 4.29 -0.10 2.72 0.52 -1.26 -0.99 118.95 124.72 3lb5 s ARG 23 Ca 0.12 0.78 0.15 0.00 -0.52 0.00 0.00 55.73 56.26 3lb5 s ARG 23 Cb -0.21 -3.29 -0.22 0.00 0.52 0.00 0.00 34.95 31.74 3lb5 s ARG 23 CO -0.03 0.50 0.19 1.33 0.02 0.00 0.00 175.30 177.31 3lb5 n VAL 24 N 2.21 0.60 -3.53 3.52 0.24 0.52 -4.95 118.33 116.93 3lb5 n VAL 24 Ca -0.08 -0.54 -0.18 0.00 -2.04 0.00 0.00 64.34 61.50 3lb5 n VAL 24 Cb 0.51 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 32.54 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 -2.72 -0.66 -0.26 6.34 5.04 -1.13 -4.68 117.35 119.28 3lb5 s TYR 25 Ca -0.07 1.15 -0.22 0.00 -2.44 0.00 0.00 57.07 55.48 3lb5 s TYR 25 Cb 0.07 0.40 0.07 0.00 0.35 0.00 0.00 41.96 42.85 3lb5 s TYR 25 CO 0.66 -0.60 0.69 -2.00 -1.34 0.00 0.00 175.55 172.96 3lb5 s GLU 26 N -1.14 0.78 0.00 4.97 2.12 -1.26 -0.63 118.70 123.55 3lb5 s GLU 26 Ca -0.11 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.23 3lb5 s GLU 26 Cb -0.00 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.73 3lb5 s GLU 26 CO 0.10 -0.11 0.00 -0.40 -0.54 0.00 0.00 175.26 174.31 3lb5 n ASP 27 N 3.01 0.63 0.32 -1.70 5.68 -0.94 -5.00 116.55 118.55 3lb5 n ASP 27 Ca -0.15 -0.49 0.20 0.00 -0.50 0.00 0.00 54.79 53.85 3lb5 n ASP 27 Cb 0.56 0.00 1.07 0.00 -1.14 0.00 0.00 41.12 41.61 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 3.32 -2.03 -3.26 116.42 113.33 3lb5 h ASP 28 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3lb5 h ASP 28 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3lb5 h ASP 28 CO 0.00 0.01 -1.05 0.47 -1.72 0.00 0.00 179.24 176.95 3lb5 n ASP 29 N -3.27 3.46 -3.97 6.45 8.00 -1.26 -4.88 116.55 121.08 3lb5 n ASP 29 Ca -0.02 -0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.30 3lb5 n ASP 29 Cb 0.11 1.17 -0.08 0.00 -0.02 0.00 0.00 41.12 42.30 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 -2.16 0.14 -0.03 2.53 -7.23 -1.23 -0.74 120.40 111.67 3lb5 s VAL 30 Ca -0.01 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 3lb5 s VAL 30 Cb 0.03 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.39 3lb5 s VAL 30 CO 0.18 -0.63 -0.09 -0.63 -0.31 0.00 0.00 175.10 173.62 3lb5 s ILE 31 N -3.92 0.79 -0.09 -0.62 1.01 -0.52 -2.22 121.20 115.62 3lb5 s ILE 31 Ca 0.11 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.43 3lb5 s ILE 31 Cb 0.06 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 3lb5 s ILE 31 CO -0.07 0.25 -0.17 0.00 0.00 0.00 0.00 174.94 174.96 3lb5 s ALA 32 N 0.30 2.49 0.09 9.38 0.00 0.20 -1.15 121.76 133.07 3lb5 s ALA 32 Ca -0.05 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 3lb5 s ALA 32 Cb -0.10 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.06 3lb5 s ALA 32 CO 0.01 0.36 0.42 -0.59 0.00 0.00 0.00 175.76 175.96 3lb5 s PHE 33 N -0.01 -0.26 0.16 0.00 -0.12 -0.43 -0.35 117.98 116.97 3lb5 s PHE 33 Ca -0.05 0.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.59 3lb5 s PHE 33 Cb -0.14 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.43 3lb5 s PHE 33 CO 0.04 -0.66 1.25 -1.64 -0.05 0.00 0.00 175.22 174.16 3lb5 s MET 34 N -3.26 4.44 0.08 1.99 -1.94 -0.16 -0.43 119.30 120.02 3lb5 s MET 34 Ca -0.00 1.93 -0.31 0.00 -1.71 0.00 0.00 55.69 55.60 3lb5 s MET 34 Cb 0.01 -3.24 -0.07 0.00 2.01 0.00 0.00 34.83 33.53 3lb5 s MET 34 CO -0.08 -0.19 1.39 0.34 -0.01 0.00 0.00 175.02 176.47 3lb5 s ASP 35 N 0.41 6.84 0.01 3.03 -1.08 -0.84 -4.74 116.67 120.30 3lb5 s ASP 35 Ca 0.56 2.26 0.29 0.00 -0.52 0.00 0.00 52.55 55.14 3lb5 s ASP 35 Cb -0.34 -2.58 1.21 0.00 -1.46 0.00 0.00 42.92 39.76 3lb5 s ASP 35 CO 0.35 -0.66 1.92 2.30 0.52 0.00 0.00 175.17 179.60 3lb5 n ILE 36 N 4.14 0.02 -3.33 4.11 -5.35 -1.26 -3.75 119.36 113.95 3lb5 n ILE 36 Ca 0.12 -0.01 -0.26 0.00 -0.27 0.00 0.00 62.75 62.33 3lb5 n ILE 36 Cb 0.43 -0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 37.76 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 -1.53 2.02 -2.36 6.28 2.81 -1.26 -0.38 117.12 122.70 3lb5 n MET 37 Ca 0.07 -4.25 -0.36 0.00 -1.81 0.00 0.00 57.70 51.35 3lb5 n MET 37 Cb 0.34 -1.95 -0.02 0.00 -0.71 0.00 0.00 33.22 30.89 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 -2.16 3.78 0.12 0.03 0.04 -1.25 -4.60 135.00 130.95 3lb5 s PRO 38 Ca 0.39 1.63 0.26 0.00 0.04 0.00 0.00 61.00 63.32 3lb5 s PRO 38 Cb 0.17 -2.32 0.74 0.00 0.04 0.00 0.00 34.50 33.12 3lb5 s PRO 38 CO -0.05 -0.50 1.64 1.04 0.04 0.00 0.00 177.00 179.17 3lb5 n GLN 39 N -0.61 0.18 -3.49 4.56 6.02 -1.26 -4.87 117.38 117.91 3lb5 n GLN 39 Ca 0.08 0.11 -0.15 0.00 -0.01 0.00 0.00 57.00 57.02 3lb5 n GLN 39 Cb 0.50 -1.67 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 3lb5 n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3lb5 s ALA 40 N -3.09 -1.65 0.24 -1.58 0.00 -1.26 -5.09 121.76 109.33 3lb5 s ALA 40 Ca 0.10 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 3lb5 s ALA 40 Cb 0.15 0.37 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 3lb5 s ALA 40 CO 0.63 -0.53 1.46 -2.14 0.00 0.00 0.00 175.76 175.18 3lb5 s PRO 41 N -2.26 4.25 0.00 0.00 0.02 -1.26 -2.01 135.00 133.74 3lb5 s PRO 41 Ca -0.06 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3lb5 s PRO 41 Cb -0.00 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3lb5 s PRO 41 CO 0.00 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 3lb5 n GLY 42 N 2.34 0.75 3.65 0.52 0.00 -1.26 -4.75 105.19 106.44 3lb5 n GLY 42 Ca 0.07 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 2.19 -4.66 1.61 -0.00 -0.85 -4.80 115.22 106.70 3lb5 n HIS 43 Ca 0.00 0.07 -0.30 0.00 -0.00 0.00 0.00 57.72 57.50 3lb5 n HIS 43 Cb 0.00 -2.63 -0.14 0.00 -0.00 0.00 0.00 29.99 27.22 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 4.73 2.21 -0.03 3.57 2.01 -0.51 -1.98 115.64 125.64 3lb5 s THR 44 Ca 0.96 -1.56 0.02 0.00 0.31 0.00 0.00 61.69 61.42 3lb5 s THR 44 Cb -0.73 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3lb5 s THR 44 CO 0.52 0.24 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.86 3lb5 s LEU 45 N -1.63 3.16 -0.13 4.42 1.43 0.43 -0.04 118.68 126.33 3lb5 s LEU 45 Ca 0.13 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 3lb5 s LEU 45 Cb -0.10 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3lb5 s LEU 45 CO 0.04 0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 176.04 3lb5 s VAL 46 N -0.91 1.98 0.09 -1.59 1.01 -0.30 -1.31 120.40 119.36 3lb5 s VAL 46 Ca 0.15 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.26 3lb5 s VAL 46 Cb -0.11 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3lb5 s VAL 46 CO 0.05 0.54 -0.20 0.27 0.00 0.00 0.00 175.10 175.75 3lb5 s ILE 47 N 0.72 1.61 0.57 2.22 -4.36 -0.30 -1.16 121.20 120.50 3lb5 s ILE 47 Ca -0.10 -1.43 -0.18 0.00 -0.26 0.00 0.00 60.65 58.68 3lb5 s ILE 47 Cb -0.16 -1.46 -0.05 0.00 1.25 0.00 0.00 42.46 42.05 3lb5 s ILE 47 CO 0.01 -0.03 1.09 -2.16 0.24 0.00 0.00 174.94 174.09 3lb5 s PRO 48 N -1.73 3.30 0.23 0.37 0.04 -1.26 -1.44 135.00 134.50 3lb5 s PRO 48 Ca 0.05 1.44 0.12 0.00 0.04 0.00 0.00 61.00 62.66 3lb5 s PRO 48 Cb -0.10 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3lb5 s PRO 48 CO 0.03 -0.85 1.39 0.87 0.04 0.00 0.00 177.00 178.48 3lb5 h LYS 49 N 0.86 0.00 -6.25 4.56 1.57 -1.28 -3.44 116.57 112.60 3lb5 h LYS 49 Ca -0.49 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.74 3lb5 h LYS 49 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 3lb5 h LYS 49 CO 0.57 0.66 0.48 0.21 -0.57 0.00 0.00 179.45 180.80 3lb5 s LYS 50 N -2.88 4.44 0.14 3.15 2.20 -1.26 -5.00 119.74 120.53 3lb5 s LYS 50 Ca 0.03 1.33 -0.31 0.00 -0.36 0.00 0.00 55.97 56.66 3lb5 s LYS 50 Cb 0.08 -3.52 -0.08 0.00 -1.51 0.00 0.00 37.83 32.80 3lb5 s LYS 50 CO 0.77 -0.24 1.36 0.20 -0.36 0.00 0.00 175.35 177.07 3lb5 s GLY 51 N 1.07 2.14 0.05 5.54 0.00 -1.26 -4.96 107.32 109.89 3lb5 s GLY 51 Ca 0.47 1.10 -0.14 0.00 0.00 0.00 0.00 44.72 46.16 3lb5 s GLY 51 CO 0.19 2.25 0.31 -1.35 0.00 0.00 0.00 173.10 174.50 3lb5 s SER 52 N 0.88 -0.12 0.25 1.64 1.04 -1.26 -4.95 113.70 111.18 3lb5 s SER 52 Ca 0.62 -0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 3lb5 s SER 52 Cb -0.36 0.37 0.28 0.00 0.10 0.00 0.00 66.02 66.41 3lb5 s SER 52 CO 0.32 -0.64 1.83 0.03 0.98 0.00 0.00 173.24 175.76 3lb5 h ARG 53 N 3.11 1.07 0.00 4.02 3.08 -1.90 -1.61 114.38 122.15 3lb5 h ARG 53 Ca -0.32 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3lb5 h ARG 53 Cb 1.20 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3lb5 h ARG 53 CO 0.47 0.86 0.00 0.27 -1.07 0.00 0.00 179.97 180.50 3lb5 n ASN 54 N -4.30 0.00 0.04 7.04 0.23 -1.26 -2.77 115.26 114.25 3lb5 n ASN 54 Ca 0.07 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.04 3lb5 n ASN 54 Cb 0.17 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 37.96 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 0.46 -1.01 -4.53 5.85 -1.93 -3.14 115.31 111.01 3lb5 h LEU 55 Ca 0.00 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.41 3lb5 h LEU 55 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3lb5 h LEU 55 CO 0.00 0.93 0.08 -0.07 -0.34 0.00 0.00 178.44 179.04 3lb5 h LEU 56 N 0.31 0.74 -1.95 2.25 3.38 -1.99 -3.09 115.31 114.97 3lb5 h LEU 56 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3lb5 h LEU 56 Cb 1.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3lb5 h LEU 56 CO 0.10 0.76 0.00 -0.90 0.09 0.00 0.00 178.44 178.49 3lb5 n ASP 57 N -4.26 2.82 -4.77 -0.43 5.75 -1.25 -4.99 116.55 109.43 3lb5 n ASP 57 Ca 0.03 -1.85 -0.36 0.00 -0.01 0.00 0.00 54.79 52.60 3lb5 n ASP 57 Cb 0.25 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.52 2.82 0.32 2.12 0.00 -1.17 -4.87 121.76 119.47 3lb5 s ALA 58 Ca 0.26 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 3lb5 s ALA 58 Cb 0.17 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 3lb5 s ALA 58 CO 0.25 -0.79 1.52 -0.51 0.00 0.00 0.00 175.76 176.23 3lb5 s ASP 59 N -1.51 6.42 0.31 0.00 1.01 -1.26 -4.93 116.67 116.70 3lb5 s ASP 59 Ca 0.69 2.94 -0.01 0.00 0.71 0.00 0.00 52.55 56.88 3lb5 s ASP 59 Cb -0.28 -2.65 0.49 0.00 1.01 0.00 0.00 42.92 41.49 3lb5 s ASP 59 CO 0.32 -0.85 1.96 0.74 0.21 0.00 0.00 175.17 177.55 3lb5 h THR 60 N 3.22 1.17 -0.21 -1.27 2.02 -1.95 -2.33 112.91 113.56 3lb5 h THR 60 Ca -0.48 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.33 3lb5 h THR 60 Cb 1.23 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3lb5 h THR 60 CO 0.72 0.20 0.13 -0.33 0.37 0.00 0.00 175.52 176.61 3lb5 h GLU 61 N 1.07 0.28 -0.47 6.66 4.39 -2.04 -1.95 114.58 122.53 3lb5 h GLU 61 Ca 0.32 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 3lb5 h GLU 61 Cb -0.04 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 3lb5 h GLU 61 CO -0.08 0.20 0.07 1.15 -1.16 0.00 0.00 179.01 179.19 3lb5 h THR 62 N 0.29 1.22 0.00 1.13 2.02 -1.80 -2.94 112.91 112.83 3lb5 h THR 62 Ca 0.08 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3lb5 h THR 62 Cb -0.01 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3lb5 h THR 62 CO -0.01 0.30 -0.01 -0.07 0.37 0.00 0.00 175.52 176.09 3lb5 h LEU 63 N 0.69 0.00 0.52 2.58 3.38 -1.35 -2.89 115.31 118.25 3lb5 h LEU 63 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3lb5 h LEU 63 Cb 0.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.08 3lb5 h LEU 63 CO 0.01 0.01 -0.25 -0.26 0.09 0.00 0.00 178.44 178.03 3lb5 h PHE 64 N 0.00 -0.65 0.00 1.13 0.04 -1.62 -0.37 116.94 115.47 3lb5 h PHE 64 Ca -0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3lb5 h PHE 64 Cb 0.03 0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 3lb5 h PHE 64 CO 0.00 -0.34 -0.09 -1.00 -0.60 0.00 0.00 178.31 176.28 3lb5 h PRO 65 N -1.09 0.00 0.11 1.51 0.13 -1.73 -1.75 132.00 129.18 3lb5 h PRO 65 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3lb5 h PRO 65 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3lb5 h PRO 65 CO 0.12 0.09 -0.05 0.28 -0.23 0.00 0.00 178.00 178.21 3lb5 h VAL 66 N 0.00 1.01 -0.26 1.56 2.07 -1.39 -2.42 116.25 116.81 3lb5 h VAL 66 Ca -0.00 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 3lb5 h VAL 66 Cb 0.18 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3lb5 h VAL 66 CO 0.01 0.11 -0.34 -0.29 0.02 0.00 0.00 177.57 177.09 3lb5 h ILE 67 N -0.35 1.29 -0.57 4.57 6.09 -0.77 0.97 117.51 128.74 3lb5 h ILE 67 Ca -0.02 -1.45 0.06 0.00 -1.37 0.00 0.00 64.86 62.08 3lb5 h ILE 67 Cb 0.29 1.45 -0.05 0.00 0.47 0.00 0.00 36.82 38.98 3lb5 h ILE 67 CO 0.02 0.46 0.28 0.50 -3.07 0.00 0.00 178.15 176.35 3lb5 h LYS 68 N 0.48 0.51 -0.20 2.19 3.64 -1.35 -0.66 116.57 121.19 3lb5 h LYS 68 Ca 0.05 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 3lb5 h LYS 68 Cb 0.81 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3lb5 h LYS 68 CO 0.07 0.34 -0.58 0.00 -2.27 0.00 0.00 179.45 177.00 3lb5 h ALA 69 N 1.32 0.61 -0.79 5.00 0.00 -0.89 -0.86 119.26 123.66 3lb5 h ALA 69 Ca 0.26 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3lb5 h ALA 69 Cb 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3lb5 h ALA 69 CO -0.20 0.69 0.48 0.28 0.00 0.00 0.00 179.25 180.50 3lb5 h VAL 70 N 0.47 1.02 -0.28 0.00 2.07 -0.49 0.18 116.25 119.23 3lb5 h VAL 70 Ca 0.00 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3lb5 h VAL 70 Cb 1.15 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3lb5 h VAL 70 CO 0.11 0.16 -0.05 -0.61 0.02 0.00 0.00 177.57 177.20 3lb5 h GLN 71 N 0.87 0.53 -0.62 1.57 4.15 -0.88 -0.48 115.11 120.26 3lb5 h GLN 71 Ca 0.35 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3lb5 h GLN 71 Cb 0.17 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 3lb5 h GLN 71 CO -0.17 0.73 0.40 -0.22 -1.93 0.00 0.00 178.83 177.64 3lb5 h LYS 72 N 0.30 0.83 -0.34 1.69 3.64 -0.82 -2.26 116.57 119.61 3lb5 h LYS 72 Ca 0.07 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 3lb5 h LYS 72 Cb 0.52 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3lb5 h LYS 72 CO 0.03 0.56 -0.38 0.82 -2.27 0.00 0.00 179.45 178.20 3lb5 h ILE 73 N 0.84 1.28 -0.38 2.00 1.08 -0.62 -2.15 117.51 119.56 3lb5 h ILE 73 Ca 0.23 -1.56 0.04 0.00 -0.39 0.00 0.00 64.86 63.18 3lb5 h ILE 73 Cb -0.08 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 3lb5 h ILE 73 CO -0.05 0.51 0.16 0.00 -0.69 0.00 0.00 178.15 178.08 3lb5 h ALA 74 N 0.90 0.46 -0.43 1.87 0.00 -0.79 0.44 119.26 121.71 3lb5 h ALA 74 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3lb5 h ALA 74 Cb 0.95 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3lb5 h ALA 74 CO 0.09 -0.22 0.10 0.87 0.00 0.00 0.00 179.25 180.09 3lb5 h LYS 75 N 0.34 0.69 -0.41 0.00 1.57 -1.40 -2.10 116.57 115.25 3lb5 h LYS 75 Ca 0.17 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3lb5 h LYS 75 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3lb5 h LYS 75 CO -0.15 0.70 -0.02 0.00 -0.57 0.00 0.00 179.45 179.40 3lb5 h ALA 76 N 0.96 0.56 -0.57 3.86 0.00 -1.09 -2.28 119.26 120.71 3lb5 h ALA 76 Ca 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3lb5 h ALA 76 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3lb5 h ALA 76 CO 0.00 0.36 0.28 0.28 0.00 0.00 0.00 179.25 180.18 3lb5 h VAL 77 N 0.57 1.20 -0.63 0.00 2.07 -0.92 0.20 116.25 118.74 3lb5 h VAL 77 Ca 0.11 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 3lb5 h VAL 77 Cb 0.52 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3lb5 h VAL 77 CO 0.03 0.22 0.21 0.50 0.02 0.00 0.00 177.57 178.55 3lb5 h LYS 78 N 0.77 0.98 -0.03 1.57 3.64 -1.34 -2.03 116.57 120.13 3lb5 h LYS 78 Ca 0.20 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3lb5 h LYS 78 Cb 0.10 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3lb5 h LYS 78 CO -0.03 0.85 -0.03 0.87 -2.27 0.00 0.00 179.45 178.85 3lb5 h LYS 79 N 0.91 0.07 -0.16 1.90 1.57 -1.25 0.20 116.57 119.79 3lb5 h LYS 79 Ca 0.21 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 3lb5 h LYS 79 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3lb5 h LYS 79 CO -0.01 0.54 0.12 0.00 -0.57 0.00 0.00 179.45 179.53 3lb5 h ALA 80 N 0.52 2.11 -0.21 3.86 0.00 -0.51 -2.43 119.26 122.60 3lb5 h ALA 80 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lb5 h ALA 80 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3lb5 h ALA 80 CO 0.01 -0.21 0.00 1.19 0.00 0.00 0.00 179.25 180.24 3lb5 n PHE 81 N -4.41 0.27 -4.17 0.00 3.72 -0.77 -4.89 117.46 107.21 3lb5 n PHE 81 Ca 0.01 -0.45 -0.29 0.00 -0.05 0.00 0.00 57.45 56.67 3lb5 n PHE 81 Cb 0.25 -0.03 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.19 -1.94 -2.45 -1.08 3.00 -0.59 -4.89 117.38 109.62 3lb5 n GLN 82 Ca 0.07 0.23 -0.38 0.00 -0.01 0.00 0.00 57.00 56.90 3lb5 n GLN 82 Cb 0.35 -4.02 -0.04 0.00 0.00 0.00 0.00 30.24 26.53 3lb5 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3lb5 s ALA 83 N -4.17 3.24 0.22 -1.58 0.00 -0.04 -4.96 121.76 114.46 3lb5 s ALA 83 Ca 0.03 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.86 3lb5 s ALA 83 Cb -0.02 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 19.97 3lb5 s ALA 83 CO 0.95 -0.27 1.53 -0.44 0.00 0.00 0.00 175.76 177.53 3lb5 h ASP 84 N 3.07 0.41 -5.33 0.00 3.32 -1.45 -3.47 116.42 112.97 3lb5 h ASP 84 Ca -0.48 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.23 3lb5 h ASP 84 Cb 1.22 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 3lb5 h ASP 84 CO 0.64 0.91 -0.21 -0.83 -1.72 0.00 0.00 179.24 178.03 3lb5 s GLY 85 N -4.26 0.81 -0.08 2.75 0.00 -0.80 -4.98 107.32 100.77 3lb5 s GLY 85 Ca -0.05 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3lb5 s GLY 85 CO 0.82 -0.80 -0.05 -0.42 0.00 0.00 0.00 173.10 172.64 3lb5 s ILE 86 N -3.89 0.71 -0.22 0.90 -1.09 -1.26 0.28 121.20 116.63 3lb5 s ILE 86 Ca 0.26 -0.14 -0.09 0.00 -2.23 0.00 0.00 60.65 58.45 3lb5 s ILE 86 Cb 0.01 -0.76 -0.04 0.00 -1.58 0.00 0.00 42.46 40.08 3lb5 s ILE 86 CO 0.11 0.30 0.11 -0.89 -1.23 0.00 0.00 174.94 173.34 3lb5 s THR 87 N 1.44 5.00 -0.17 2.92 2.01 0.55 -4.94 115.64 122.46 3lb5 s THR 87 Ca -0.02 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.98 3lb5 s THR 87 Cb -0.13 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3lb5 s THR 87 CO -0.04 0.38 0.00 -0.69 -0.69 0.00 0.00 174.62 173.59 3lb5 s VAL 88 N 0.94 4.23 0.06 3.82 1.01 -1.26 -0.77 120.40 128.43 3lb5 s VAL 88 Ca 0.06 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3lb5 s VAL 88 Cb -0.13 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3lb5 s VAL 88 CO 0.03 0.47 -0.12 -0.04 0.00 0.00 0.00 175.10 175.44 3lb5 s MET 89 N 0.46 0.73 -0.09 2.72 -1.94 -0.69 -4.97 119.30 115.51 3lb5 s MET 89 Ca -0.01 -0.87 -0.04 0.00 -1.71 0.00 0.00 55.69 53.06 3lb5 s MET 89 Cb -0.14 -0.66 0.05 0.00 2.01 0.00 0.00 34.83 36.10 3lb5 s MET 89 CO 0.02 0.14 0.19 -1.14 -0.01 0.00 0.00 175.02 174.22 3lb5 s GLN 90 N -1.64 0.09 -0.16 2.03 -0.44 -1.26 -0.53 119.66 117.75 3lb5 s GLN 90 Ca -0.04 0.57 -0.04 0.00 -2.50 0.00 0.00 55.36 53.34 3lb5 s GLN 90 Cb -0.10 -0.18 -0.03 0.00 -1.64 0.00 0.00 33.01 31.07 3lb5 s GLN 90 CO 0.02 -0.26 -0.03 -0.06 0.50 0.00 0.00 175.29 175.46 3lb5 s PHE 91 N 1.98 3.02 -0.30 1.67 0.08 -1.26 -5.09 117.98 118.09 3lb5 s PHE 91 Ca -0.01 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.70 3lb5 s PHE 91 Cb -0.12 -1.98 0.06 0.00 -0.57 0.00 0.00 43.02 40.41 3lb5 s PHE 91 CO -0.07 -0.08 -0.02 -0.80 -0.10 0.00 0.00 175.22 174.15 3lb5 s ASN 92 N 0.48 4.75 0.00 1.36 0.01 -1.26 -4.67 114.94 115.61 3lb5 s ASN 92 Ca -0.03 -1.43 0.00 0.00 -0.71 0.00 0.00 52.86 50.69 3lb5 s ASN 92 Cb -0.14 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 39.86 3lb5 s ASN 92 CO 0.03 -0.26 0.00 -0.62 -1.51 0.00 0.00 177.10 174.73 3lb5 n GLU 93 N 4.53 0.00 -0.26 -0.60 -0.58 -1.26 -4.07 120.64 118.40 3lb5 n GLU 93 Ca -0.12 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.69 3lb5 n GLU 93 Cb 0.43 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.49 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 0.95 0.00 0.62 0.00 -1.95 -0.90 119.26 117.98 3lb5 h ALA 94 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3lb5 h ALA 94 Cb 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3lb5 h ALA 94 CO 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 178.84 3lb5 h ALA 95 N 1.68 1.03 -0.51 0.00 0.00 -1.93 0.18 119.26 119.71 3lb5 h ALA 95 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3lb5 h ALA 95 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3lb5 h ALA 95 CO -0.59 0.02 0.00 0.45 0.00 0.00 0.00 179.25 179.13 3lb5 n SER 96 N -3.16 3.74 -2.12 0.00 2.88 -0.41 -4.95 113.62 109.61 3lb5 n SER 96 Ca -0.01 -2.32 -0.20 0.00 -1.33 0.00 0.00 58.87 55.01 3lb5 n SER 96 Cb 0.21 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.15 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 0.86 -1.57 -1.95 -1.46 3.00 0.63 -4.64 117.38 112.25 3lb5 n GLN 97 Ca 0.20 1.05 -0.42 0.00 -0.01 0.00 0.00 57.00 57.82 3lb5 n GLN 97 Cb 0.70 -5.61 -0.03 0.00 0.00 0.00 0.00 30.24 25.30 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 -4.68 4.22 -0.13 -1.09 0.74 -0.81 -4.90 119.66 113.00 3lb5 s GLN 98 Ca 0.00 2.33 0.14 0.00 0.05 0.00 0.00 55.36 57.87 3lb5 s GLN 98 Cb 0.00 -3.35 -0.19 0.00 1.10 0.00 0.00 33.01 30.57 3lb5 s GLN 98 CO 0.00 -0.65 0.08 0.25 -0.55 0.00 0.00 175.29 174.42 3lb5 n THR 99 N 4.29 0.91 -4.79 -0.34 -2.24 -1.26 -4.45 114.28 106.40 3lb5 n THR 99 Ca 0.15 -0.60 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 3lb5 n THR 99 Cb 0.40 -0.53 -0.17 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.44 1.86 -0.49 2.28 1.01 -1.26 -5.03 120.40 116.33 3lb5 s VAL 100 Ca -0.07 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3lb5 s VAL 100 Cb 0.05 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3lb5 s VAL 100 CO 0.61 0.51 2.97 -1.22 0.00 0.00 0.00 175.10 177.98 3lb5 n TYR 101 N 3.90 1.32 -4.54 5.22 4.01 -1.26 -4.76 117.16 121.06 3lb5 n TYR 101 Ca -0.20 -1.98 -0.21 0.00 -0.16 0.00 0.00 57.90 55.36 3lb5 n TYR 101 Cb 0.52 -1.54 -0.15 0.00 -0.31 0.00 0.00 39.34 37.86 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 -0.75 1.18 -0.12 -0.72 2.46 -1.11 -4.21 115.29 112.02 3lb5 s HIS 102 Ca 0.61 -0.25 -0.35 0.00 0.47 0.00 0.00 55.06 55.54 3lb5 s HIS 102 Cb 0.33 -0.75 -0.12 0.00 -0.13 0.00 0.00 32.58 31.92 3lb5 s HIS 102 CO -0.14 -0.01 1.87 -0.11 -2.47 0.00 0.00 174.74 173.88 3lb5 n LEU 103 N 2.56 3.28 -3.83 8.88 7.94 -0.61 -4.76 117.00 130.47 3lb5 n LEU 103 Ca -0.15 0.99 -0.12 0.00 -1.11 0.00 0.00 56.01 55.61 3lb5 n LEU 103 Cb 0.55 -1.33 -0.13 0.00 0.53 0.00 0.00 43.42 43.04 3lb5 n LEU 103 CO 0.24 -0.11 -0.22 -1.38 -1.11 0.00 0.00 177.39 174.81 3lb5 s HIS 104 N 4.05 -0.13 -0.17 1.96 -3.43 -1.26 -4.14 115.29 112.17 3lb5 s HIS 104 Ca 0.94 0.33 -0.10 0.00 -0.80 0.00 0.00 55.06 55.43 3lb5 s HIS 104 Cb -0.75 0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 30.39 3lb5 s HIS 104 CO 0.54 -0.07 0.16 -0.06 -2.00 0.00 0.00 174.74 173.31 3lb5 s PHE 105 N 0.05 3.48 -0.04 0.38 0.08 -0.30 -4.42 117.98 117.21 3lb5 s PHE 105 Ca -0.00 0.44 -0.25 0.00 0.12 0.00 0.00 56.93 57.24 3lb5 s PHE 105 Cb -0.01 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3lb5 s PHE 105 CO 0.00 0.44 0.77 -1.01 -0.10 0.00 0.00 175.22 175.32 3lb5 s HIS 106 N -0.11 3.62 -0.30 0.36 3.76 0.31 -1.15 115.29 121.78 3lb5 s HIS 106 Ca 0.11 1.38 0.01 0.00 -0.15 0.00 0.00 55.06 56.41 3lb5 s HIS 106 Cb -0.12 -2.87 0.07 0.00 1.11 0.00 0.00 32.58 30.77 3lb5 s HIS 106 CO 0.01 0.10 -0.03 0.42 -0.85 0.00 0.00 174.74 174.39 3lb5 s ILE 107 N 0.71 2.54 -0.21 0.60 1.09 0.95 -1.71 121.20 125.16 3lb5 s ILE 107 Ca 0.41 -1.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.26 3lb5 s ILE 107 Cb -0.19 -2.56 0.03 0.00 -1.06 0.00 0.00 42.46 38.68 3lb5 s ILE 107 CO 0.21 -0.20 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.07 3lb5 s ILE 108 N 1.12 2.29 0.33 2.92 1.01 0.05 -1.42 121.20 127.50 3lb5 s ILE 108 Ca -0.03 -1.06 -0.28 0.00 0.00 0.00 0.00 60.65 59.28 3lb5 s ILE 108 Cb -0.20 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 3lb5 s ILE 108 CO -0.04 0.37 1.22 -2.16 0.00 0.00 0.00 174.94 174.33 3lb5 s PRO 109 N 1.27 4.38 0.10 2.79 0.04 -1.26 -0.33 135.00 142.00 3lb5 s PRO 109 Ca 0.02 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.18 3lb5 s PRO 109 Cb -0.15 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 3lb5 s PRO 109 CO -0.10 -0.09 -0.21 1.03 0.04 0.00 0.00 177.00 177.67 3lb5 s ARG 110 N -1.78 1.73 0.03 4.56 1.81 0.14 -4.82 118.95 120.62 3lb5 s ARG 110 Ca 0.49 -1.19 0.08 0.00 -1.72 0.00 0.00 55.73 53.39 3lb5 s ARG 110 Cb -0.36 -2.06 -0.02 0.00 -0.45 0.00 0.00 34.95 32.06 3lb5 s ARG 110 CO 0.47 0.48 -0.23 -1.64 -0.68 0.00 0.00 175.30 173.71 3lb5 s MET 111 N -1.96 1.62 0.05 3.54 -1.94 -1.26 -1.08 119.30 118.26 3lb5 s MET 111 Ca 0.16 -0.94 -0.35 0.00 -1.71 0.00 0.00 55.69 52.84 3lb5 s MET 111 Cb -0.10 -1.70 -0.14 0.00 2.01 0.00 0.00 34.83 34.90 3lb5 s MET 111 CO 0.08 0.45 1.61 -0.85 -0.01 0.00 0.00 175.02 176.29 3lb5 n GLU 112 N 2.02 1.86 -1.22 2.03 0.00 -1.26 -1.87 120.64 122.20 3lb5 n GLU 112 Ca -0.17 0.67 -0.08 0.00 0.00 0.00 0.00 57.16 57.59 3lb5 n GLU 112 Cb 0.53 -2.43 -0.03 0.00 0.00 0.00 0.00 31.44 29.51 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 3.51 0.93 3.17 -1.84 0.00 -1.26 -4.99 105.19 104.71 3lb5 n GLY 113 Ca 0.19 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3lb5 n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lb5 s ILE 114 N -2.15 3.08 0.00 -0.61 -1.09 -0.78 -5.30 121.20 114.35 3lb5 s ILE 114 Ca 0.00 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 3lb5 s ILE 114 Cb 0.00 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 3lb5 s ILE 114 CO 0.00 -0.23 0.00 -1.84 -1.23 0.00 0.00 174.94 171.64 3lb5 n GLU 115 N 4.62 0.00 0.00 2.79 0.28 -1.26 -4.56 120.64 122.51 3lb5 n GLU 115 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3lb5 n GLU 115 Cb 0.43 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.30 3lb5 n GLU 115 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3lb5 n ASN 120 N 0.00 0.00 -0.57 -1.84 4.13 -1.26 -5.07 115.26 110.65 3lb5 n ASN 120 Ca 0.00 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.34 3lb5 n ASN 120 Cb 0.00 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.45 3lb5 n ASN 120 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 3lb5 n ASN 121 N 0.00 3.13 -4.57 6.41 6.94 -1.26 -4.91 115.26 121.00 3lb5 n ASN 121 Ca 0.00 -3.11 -0.43 0.00 -0.02 0.00 0.00 54.58 51.02 3lb5 n ASN 121 Cb 0.00 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 36.86 3lb5 n ASN 121 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3lb5 s ILE 122 N -2.89 4.70 0.16 1.53 1.01 -1.26 -5.04 121.20 119.41 3lb5 s ILE 122 Ca 0.38 0.68 -0.30 0.00 0.00 0.00 0.00 60.65 61.41 3lb5 s ILE 122 Cb 0.32 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 3lb5 s ILE 122 CO 0.06 -0.55 1.06 -0.51 0.00 0.00 0.00 174.94 174.99 3lb5 s ILE 123 N 3.18 4.04 -0.05 2.92 2.07 -1.26 -4.42 121.20 127.68 3lb5 s ILE 123 Ca 0.31 1.74 -0.25 0.00 -1.41 0.00 0.00 60.65 61.04 3lb5 s ILE 123 Cb -0.13 -4.11 -0.03 0.00 0.13 0.00 0.00 42.46 38.32 3lb5 s ILE 123 CO 0.19 0.29 0.77 -0.89 -1.91 0.00 0.00 174.94 173.40 3lb5 s THR 124 N -0.18 5.00 0.36 4.00 2.01 0.49 -5.01 115.64 122.31 3lb5 s THR 124 Ca 0.49 1.60 -0.27 0.00 0.31 0.00 0.00 61.69 63.82 3lb5 s THR 124 Cb -0.28 -4.11 -0.12 0.00 0.01 0.00 0.00 72.50 68.00 3lb5 s THR 124 CO 0.33 0.22 1.12 -2.65 -0.69 0.00 0.00 174.62 172.95 3lb5 n PRO 125 N 3.84 1.64 -0.26 4.92 -0.02 -1.26 -4.77 135.00 139.09 3lb5 n PRO 125 Ca 0.01 0.58 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 3lb5 n PRO 125 Cb 0.51 -2.09 0.14 0.00 -0.02 0.00 0.00 33.50 32.04 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 2.03 0.90 -0.98 3.45 2.02 -1.99 -1.29 112.91 117.05 3lb5 h THR 126 Ca -0.44 -0.24 0.14 0.00 0.77 0.00 0.00 66.41 66.64 3lb5 h THR 126 Cb 1.32 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.78 3lb5 h THR 126 CO 0.60 0.13 0.60 -0.33 0.37 0.00 0.00 175.52 176.89 3lb5 h GLU 127 N 0.70 0.87 -0.48 6.66 3.07 -2.00 -1.76 114.58 121.63 3lb5 h GLU 127 Ca 0.36 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 59.06 3lb5 h GLU 127 Cb 0.33 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3lb5 h GLU 127 CO -0.24 0.57 -0.13 0.82 -1.40 0.00 0.00 179.01 178.63 3lb5 h ILE 128 N 0.89 1.27 -0.84 3.13 2.04 -1.59 -2.69 117.51 119.73 3lb5 h ILE 128 Ca 0.51 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3lb5 h ILE 128 Cb 0.61 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 3lb5 h ILE 128 CO -0.30 0.44 0.55 -0.07 0.00 0.00 0.00 178.15 178.77 3lb5 h LEU 129 N 0.78 0.88 -0.30 1.44 3.38 -1.07 -2.37 115.31 118.05 3lb5 h LEU 129 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3lb5 h LEU 129 Cb 0.69 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3lb5 h LEU 129 CO 0.05 0.60 0.11 -0.33 0.09 0.00 0.00 178.44 178.96 3lb5 h GLU 130 N 1.02 0.46 -0.87 1.13 4.39 -1.19 0.22 114.58 119.74 3lb5 h GLU 130 Ca 0.34 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.99 3lb5 h GLU 130 Cb 0.07 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 3lb5 h GLU 130 CO -0.11 0.49 0.57 1.49 -1.16 0.00 0.00 179.01 180.30 3lb5 h GLU 131 N 0.33 1.05 -0.27 2.33 4.81 -1.23 -0.34 114.58 121.27 3lb5 h GLU 131 Ca 0.10 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.10 3lb5 h GLU 131 Cb 0.21 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3lb5 h GLU 131 CO -0.01 0.70 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.55 3lb5 h ASN 132 N 1.08 0.83 -0.67 1.04 2.35 -1.16 -3.15 115.58 115.91 3lb5 h ASN 132 Ca 0.35 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3lb5 h ASN 132 Cb 0.03 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3lb5 h ASN 132 CO -0.11 1.19 0.44 0.00 -1.65 0.00 0.00 177.43 177.30 3lb5 h ALA 133 N 0.83 0.85 -0.71 -0.83 0.00 0.05 -2.71 119.26 116.74 3lb5 h ALA 133 Ca 0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3lb5 h ALA 133 Cb 1.09 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3lb5 h ALA 133 CO 0.11 0.26 0.44 1.57 0.00 0.00 0.00 179.25 181.64 3lb5 h LYS 134 N 0.90 0.84 -0.46 0.00 2.10 -1.06 0.28 116.57 119.18 3lb5 h LYS 134 Ca 0.25 -0.05 0.03 0.00 -2.00 0.00 0.00 60.65 58.87 3lb5 h LYS 134 Cb -0.10 -0.19 -0.04 0.00 -0.90 0.00 0.00 32.23 31.01 3lb5 h LYS 134 CO -0.06 0.56 0.25 0.87 -2.00 0.00 0.00 179.45 179.07 3lb5 h LYS 135 N 0.87 0.49 -0.34 0.07 1.57 -1.49 -0.28 116.57 117.46 3lb5 h LYS 135 Ca 0.28 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3lb5 h LYS 135 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3lb5 h LYS 135 CO -0.11 0.32 0.05 0.82 -0.57 0.00 0.00 179.45 179.96 3lb5 h ILE 136 N 0.50 1.24 -0.75 1.86 2.04 -1.10 -2.13 117.51 119.17 3lb5 h ILE 136 Ca 0.19 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3lb5 h ILE 136 Cb 0.06 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3lb5 h ILE 136 CO -0.11 0.28 0.50 0.03 0.00 0.00 0.00 178.15 178.85 3lb5 h ARG 137 N 0.39 0.98 0.00 2.37 3.08 -0.08 -1.58 114.38 119.54 3lb5 h ARG 137 Ca 0.10 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3lb5 h ARG 137 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3lb5 h ARG 137 CO 0.01 0.65 -0.40 0.00 -1.07 0.00 0.00 179.97 179.15 3lb5 h ALA 138 N 1.53 0.89 0.00 0.04 0.00 -0.96 -3.23 119.26 117.54 3lb5 h ALA 138 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3lb5 h ALA 138 Cb -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3lb5 h ALA 138 CO -0.06 0.50 -0.29 0.00 0.00 0.00 0.00 179.25 179.39 3lb5 n ALA 139 N -2.26 2.85 1.07 0.00 0.00 -0.65 -5.10 120.51 116.42 3lb5 n ALA 139 Ca 0.01 -0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.33 3lb5 n ALA 139 Cb 0.57 -1.29 0.51 0.00 0.00 0.00 0.00 19.45 19.24 3lb5 n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78