#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ft8 s SER 4 N 0.00 -0.08 -0.07 0.00 1.04 -1.26 -1.61 113.70 111.72 2ft8 s SER 4 Ca 0.00 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.51 2ft8 s SER 4 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.67 2ft8 s SER 4 CO 0.00 -1.02 0.27 0.54 0.98 0.00 0.00 173.24 174.01 2ft8 s VAL 5 N -3.97 0.03 -0.20 5.02 0.11 -0.45 -4.95 120.40 115.99 2ft8 s VAL 5 Ca 0.18 -0.23 -0.10 0.00 -2.93 0.00 0.00 61.98 58.90 2ft8 s VAL 5 Cb 0.01 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 2ft8 s VAL 5 CO 0.03 -0.13 0.12 -1.81 -3.33 0.00 0.00 175.10 169.99 2ft8 s ASP 6 N -0.48 6.13 -0.02 3.54 1.01 -1.26 -1.09 116.67 124.50 2ft8 s ASP 6 Ca -0.06 0.20 0.04 0.00 0.71 0.00 0.00 52.55 53.45 2ft8 s ASP 6 Cb -0.04 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 2ft8 s ASP 6 CO 0.02 0.17 -0.15 -0.63 0.21 0.00 0.00 175.17 174.79 2ft8 s ILE 7 N 0.40 1.21 0.03 0.77 -1.09 -0.03 -4.96 121.20 117.53 2ft8 s ILE 7 Ca 0.07 -0.64 0.09 0.00 -2.23 0.00 0.00 60.65 57.95 2ft8 s ILE 7 Cb -0.11 -1.02 -0.03 0.00 -1.58 0.00 0.00 42.46 39.72 2ft8 s ILE 7 CO -0.01 0.34 -0.26 -1.10 -1.23 0.00 0.00 174.94 172.68 2ft8 s GLN 8 N -0.23 1.88 -0.07 2.79 -0.21 -1.26 -1.14 119.66 121.42 2ft8 s GLN 8 Ca 0.03 -1.07 0.05 0.00 0.02 0.00 0.00 55.36 54.39 2ft8 s GLN 8 Cb -0.07 -2.00 -0.00 0.00 1.00 0.00 0.00 33.01 31.94 2ft8 s GLN 8 CO -0.00 0.52 -0.22 0.20 -2.12 0.00 0.00 175.29 173.67 2ft8 s GLY 9 N -1.10 1.18 0.22 3.09 0.00 -0.47 -1.21 107.32 109.03 2ft8 s GLY 9 Ca 0.11 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.96 2ft8 s GLY 9 CO 0.01 -0.42 0.12 1.16 0.00 0.00 0.00 173.10 173.97 2ft8 n ASN 10 N 3.23 1.93 0.06 1.64 0.23 -0.85 -3.67 115.26 117.83 2ft8 n ASN 10 Ca -0.19 -1.81 0.11 0.00 -0.53 0.00 0.00 54.58 52.17 2ft8 n ASN 10 Cb 0.52 0.03 0.44 0.00 -2.08 0.00 0.00 39.78 38.69 2ft8 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2ft8 n ASP 11 N -1.73 0.36 -1.81 0.53 8.00 -1.25 -2.68 116.55 117.97 2ft8 n ASP 11 Ca -0.03 0.57 0.07 0.00 0.71 0.00 0.00 54.79 56.11 2ft8 n ASP 11 Cb 0.26 -0.65 0.39 0.00 -0.02 0.00 0.00 41.12 41.09 2ft8 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ft8 n GLN 12 N -1.88 4.62 -3.56 -1.24 3.00 -1.26 -4.95 117.38 112.12 2ft8 n GLN 12 Ca 0.04 -3.02 -0.21 0.00 -0.01 0.00 0.00 57.00 53.80 2ft8 n GLN 12 Cb 0.26 -2.19 0.08 0.00 0.00 0.00 0.00 30.24 28.38 2ft8 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2ft8 n MET 13 N 0.69 -6.83 -4.88 -1.09 2.81 -1.09 -5.00 117.12 101.72 2ft8 n MET 13 Ca 0.27 0.80 -0.28 0.00 -1.81 0.00 0.00 57.70 56.68 2ft8 n MET 13 Cb 1.13 -5.77 -0.17 0.00 -0.71 0.00 0.00 33.22 27.70 2ft8 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2ft8 s GLN 14 N -5.86 2.19 0.46 0.03 -0.21 -1.26 -4.73 119.66 110.29 2ft8 s GLN 14 Ca 0.25 -0.63 -0.18 0.00 0.02 0.00 0.00 55.36 54.82 2ft8 s GLN 14 Cb -0.12 -1.76 -0.09 0.00 1.00 0.00 0.00 33.01 32.04 2ft8 s GLN 14 CO 0.75 0.14 0.95 -0.06 -2.12 0.00 0.00 175.29 174.94 2ft8 s PHE 15 N 0.38 3.38 -2.19 0.91 0.08 -1.26 -2.00 117.98 117.27 2ft8 s PHE 15 Ca -0.13 1.51 0.19 0.00 0.12 0.00 0.00 56.93 58.62 2ft8 s PHE 15 Cb -0.15 -2.79 0.75 0.00 -0.57 0.00 0.00 43.02 40.25 2ft8 s PHE 15 CO 0.05 -0.20 1.54 0.27 -0.10 0.00 0.00 175.22 176.77 2ft8 n ASN 16 N -1.03 1.36 -3.90 1.36 6.94 -0.35 -4.80 115.26 114.85 2ft8 n ASN 16 Ca 0.06 -1.69 -0.10 0.00 -0.02 0.00 0.00 54.58 52.84 2ft8 n ASN 16 Cb 0.54 -0.10 -0.09 0.00 -2.36 0.00 0.00 39.78 37.78 2ft8 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2ft8 s THR 17 N -1.81 0.13 -0.97 5.53 -1.32 -1.26 -4.98 115.64 110.96 2ft8 s THR 17 Ca 0.30 -1.05 0.14 0.00 -1.21 0.00 0.00 61.69 59.86 2ft8 s THR 17 Cb 0.16 -0.96 -0.07 0.00 -1.51 0.00 0.00 72.50 70.11 2ft8 s THR 17 CO 0.24 -0.58 0.68 -0.46 -2.21 0.00 0.00 174.62 172.28 2ft8 n ASN 18 N 0.64 1.07 -3.67 8.08 6.94 -1.26 -4.87 115.26 122.19 2ft8 n ASN 18 Ca -0.18 -1.04 -0.08 0.00 -0.02 0.00 0.00 54.58 53.26 2ft8 n ASN 18 Cb 0.59 0.73 -0.09 0.00 -2.36 0.00 0.00 39.78 38.65 2ft8 n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ft8 s ALA 19 N -1.98 -1.42 -0.09 -2.53 0.00 -1.26 -1.50 121.76 112.98 2ft8 s ALA 19 Ca 0.08 1.89 0.02 0.00 0.00 0.00 0.00 51.96 53.95 2ft8 s ALA 19 Cb 0.11 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2ft8 s ALA 19 CO 0.45 -0.44 -0.15 0.42 0.00 0.00 0.00 175.76 176.04 2ft8 s ILE 20 N 1.81 2.92 -0.01 0.00 1.01 0.12 -4.97 121.20 122.08 2ft8 s ILE 20 Ca -0.08 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2ft8 s ILE 20 Cb -0.08 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 2ft8 s ILE 20 CO -0.16 0.55 -0.23 0.42 0.00 0.00 0.00 174.94 175.53 2ft8 s THR 21 N -0.09 2.32 -0.20 2.92 -4.23 -1.26 -1.30 115.64 113.79 2ft8 s THR 21 Ca -0.03 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2ft8 s THR 21 Cb -0.14 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 71.86 2ft8 s THR 21 CO 0.04 0.53 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.83 2ft8 s VAL 22 N -0.69 2.63 0.23 2.29 1.01 -0.19 -4.90 120.40 120.78 2ft8 s VAL 22 Ca 0.11 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 2ft8 s VAL 22 Cb -0.10 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 2ft8 s VAL 22 CO 0.00 0.44 1.53 -0.62 0.00 0.00 0.00 175.10 176.45 2ft8 s ASP 23 N 1.36 6.56 0.36 3.32 -1.08 -1.26 -0.28 116.67 125.65 2ft8 s ASP 23 Ca 0.04 2.72 0.26 0.00 -0.52 0.00 0.00 52.55 55.05 2ft8 s ASP 23 Cb -0.14 -2.61 1.23 0.00 -1.46 0.00 0.00 42.92 39.93 2ft8 s ASP 23 CO -0.08 -0.80 1.80 0.07 0.52 0.00 0.00 175.17 176.68 2ft8 h LYS 24 N 5.67 0.00 0.00 4.34 5.09 -1.96 -0.34 116.57 129.37 2ft8 h LYS 24 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.29 2ft8 h LYS 24 Cb 1.21 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.54 2ft8 h LYS 24 CO 0.83 0.00 0.00 0.66 -2.09 0.00 0.00 179.45 178.85 2ft8 h SER 25 N 0.00 0.00 -3.16 7.07 4.64 -1.97 -3.43 113.55 116.69 2ft8 h SER 25 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2ft8 h SER 25 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2ft8 h SER 25 CO 0.00 0.00 0.59 0.00 -0.87 0.00 0.00 176.83 176.55 2ft8 h LYS 27 N 6.97 0.30 -5.48 0.00 1.79 -1.88 -3.43 116.57 114.85 2ft8 h LYS 27 Ca -0.40 -0.52 -0.44 0.00 -2.18 0.00 0.00 60.65 57.12 2ft8 h LYS 27 Cb 1.20 0.19 -0.14 0.00 -1.58 0.00 0.00 32.23 31.90 2ft8 h LYS 27 CO 0.83 1.18 -0.72 1.14 -1.08 0.00 0.00 179.45 180.80 2ft8 s GLN 28 N -2.61 1.32 -0.01 3.15 -2.07 -1.26 -1.77 119.66 116.42 2ft8 s GLN 28 Ca -0.11 -1.60 0.01 0.00 -1.82 0.00 0.00 55.36 51.84 2ft8 s GLN 28 Cb 0.06 -1.05 0.00 0.00 -1.09 0.00 0.00 33.01 30.94 2ft8 s GLN 28 CO 0.86 0.14 -0.03 0.12 -1.32 0.00 0.00 175.29 175.07 2ft8 s PHE 29 N -3.04 0.30 -0.10 9.60 5.36 -0.17 -4.85 117.98 125.07 2ft8 s PHE 29 Ca 0.23 -0.05 0.04 0.00 -0.96 0.00 0.00 56.93 56.19 2ft8 s PHE 29 Cb 0.00 -0.23 -0.00 0.00 -0.34 0.00 0.00 43.02 42.45 2ft8 s PHE 29 CO 0.07 -0.03 -0.23 0.99 -1.46 0.00 0.00 175.22 174.56 2ft8 s THR 30 N 0.13 2.18 -0.18 0.12 2.01 -0.64 -1.01 115.64 118.25 2ft8 s THR 30 Ca -0.01 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 60.96 2ft8 s THR 30 Cb -0.04 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 2ft8 s THR 30 CO -0.00 0.56 0.02 -0.69 -0.69 0.00 0.00 174.62 173.81 2ft8 s VAL 31 N 0.33 4.25 -0.40 3.82 1.01 0.22 -1.34 120.40 128.29 2ft8 s VAL 31 Ca -0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2ft8 s VAL 31 Cb -0.18 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.37 2ft8 s VAL 31 CO 0.08 0.45 0.22 0.20 0.00 0.00 0.00 175.10 176.05 2ft8 s ASN 32 N 0.65 5.50 -0.08 3.32 0.01 -0.25 -1.26 114.94 122.83 2ft8 s ASN 32 Ca 0.01 -1.52 -0.17 0.00 -0.71 0.00 0.00 52.86 50.47 2ft8 s ASN 32 Cb -0.14 -1.93 -0.05 0.00 0.41 0.00 0.00 41.25 39.54 2ft8 s ASN 32 CO 0.02 -0.50 0.44 -0.22 -1.51 0.00 0.00 177.10 175.33 2ft8 s LEU 33 N 1.37 4.34 0.38 0.60 2.96 0.04 -0.85 118.68 127.53 2ft8 s LEU 33 Ca 0.03 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 54.84 2ft8 s LEU 33 Cb -0.22 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 2ft8 s LEU 33 CO 0.01 0.12 0.22 -0.94 -1.32 0.00 0.00 176.35 174.44 2ft8 s SER 34 N 0.02 2.28 -0.46 3.68 1.04 -0.29 -1.82 113.70 118.16 2ft8 s SER 34 Ca 0.24 -1.75 0.06 0.00 0.48 0.00 0.00 55.95 54.98 2ft8 s SER 34 Cb -0.16 0.58 0.19 0.00 0.10 0.00 0.00 66.02 66.73 2ft8 s SER 34 CO 0.11 -1.03 0.54 1.57 0.98 0.00 0.00 173.24 175.41 2ft8 n HIS 35 N -0.79 -2.23 -1.29 5.02 -0.00 -1.24 -1.37 115.22 113.32 2ft8 n HIS 35 Ca 0.01 -2.44 -0.36 0.00 0.46 0.00 0.00 57.72 55.40 2ft8 n HIS 35 Cb 0.63 0.80 0.09 0.00 -0.12 0.00 0.00 29.99 31.39 2ft8 n HIS 35 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2ft8 n PRO 36 N 2.71 0.40 0.00 1.57 -0.02 -1.24 -1.24 135.00 137.17 2ft8 n PRO 36 Ca 0.23 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2ft8 n PRO 36 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2ft8 n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ft8 n GLY 37 N 1.23 0.41 0.00 -1.23 0.00 -1.26 -3.77 105.19 100.57 2ft8 n GLY 37 Ca 0.12 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2ft8 n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ft8 n ASN 38 N 0.34 0.44 -4.84 1.61 0.23 -1.26 -4.62 115.26 107.15 2ft8 n ASN 38 Ca 0.00 -0.76 -0.37 0.00 -0.53 0.00 0.00 54.58 52.92 2ft8 n ASN 38 Cb 0.00 0.25 -0.06 0.00 -2.08 0.00 0.00 39.78 37.89 2ft8 n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2ft8 s LEU 39 N -0.50 4.44 0.79 -4.53 1.43 -1.26 -4.87 118.68 114.18 2ft8 s LEU 39 Ca 0.00 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 2ft8 s LEU 39 Cb 0.00 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.48 2ft8 s LEU 39 CO 0.00 0.25 1.15 -2.16 0.23 0.00 0.00 176.35 175.82 2ft8 s PRO 40 N -1.38 1.90 0.23 1.29 0.04 -1.26 -0.99 135.00 134.84 2ft8 s PRO 40 Ca 0.29 -0.05 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 2ft8 s PRO 40 Cb -0.16 -2.00 0.21 0.00 0.04 0.00 0.00 34.50 32.58 2ft8 s PRO 40 CO 0.16 -1.57 1.88 -0.22 0.04 0.00 0.00 177.00 177.29 2ft8 h LYS 41 N -0.98 1.23 0.00 4.56 3.64 -1.85 -0.13 116.57 123.04 2ft8 h LYS 41 Ca -0.45 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2ft8 h LYS 41 Cb 1.32 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2ft8 h LYS 41 CO 0.62 0.87 0.00 -2.95 -2.27 0.00 0.00 179.45 175.71 2ft8 h ASN 42 N 1.25 0.00 0.00 4.20 -1.07 -1.95 -2.51 115.58 115.49 2ft8 h ASN 42 Ca 0.33 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.66 2ft8 h ASN 42 Cb -0.05 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.20 2ft8 h ASN 42 CO -0.06 0.00 -1.24 0.55 0.07 0.00 0.00 177.43 176.75 2ft8 n VAL 43 N -2.37 0.14 -2.71 6.14 3.14 -0.96 -4.84 118.33 116.88 2ft8 n VAL 43 Ca 0.02 -0.13 -0.06 0.00 -2.96 0.00 0.00 64.34 61.20 2ft8 n VAL 43 Cb 0.25 -0.26 0.06 0.00 -1.06 0.00 0.00 33.84 32.84 2ft8 n VAL 43 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2ft8 n MET 44 N -1.90 1.29 -2.46 1.45 0.00 -0.10 -4.99 117.12 110.41 2ft8 n MET 44 Ca -0.04 -2.81 -0.40 0.00 -0.00 0.00 0.00 57.70 54.45 2ft8 n MET 44 Cb 0.38 -0.91 -0.04 0.00 0.00 0.00 0.00 33.22 32.65 2ft8 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2ft8 s GLY 45 N -2.67 3.03 0.07 -5.12 0.00 -0.95 -4.73 107.32 96.95 2ft8 s GLY 45 Ca 0.24 0.90 0.09 0.00 0.00 0.00 0.00 44.72 45.95 2ft8 s GLY 45 CO -0.02 1.48 -0.25 0.30 0.00 0.00 0.00 173.10 174.62 2ft8 s HIS 46 N -1.22 2.15 0.36 1.90 3.76 -0.50 -4.87 115.29 116.86 2ft8 s HIS 46 Ca 0.46 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 55.03 2ft8 s HIS 46 Cb -0.31 -1.25 -0.07 0.00 1.11 0.00 0.00 32.58 32.06 2ft8 s HIS 46 CO 0.40 0.16 0.03 0.54 -0.85 0.00 0.00 174.74 175.02 2ft8 s ASN 47 N -1.43 3.06 -0.12 1.40 2.20 -1.26 -0.62 114.94 118.16 2ft8 s ASN 47 Ca 0.11 -1.36 0.00 0.00 -0.94 0.00 0.00 52.86 50.67 2ft8 s ASN 47 Cb -0.10 -0.23 0.02 0.00 -2.00 0.00 0.00 41.25 38.95 2ft8 s ASN 47 CO 0.03 -0.52 -0.12 0.86 -2.94 0.00 0.00 177.10 174.41 2ft8 s TRP 48 N -3.02 1.82 -0.02 1.54 -0.00 -1.26 -3.85 118.94 114.15 2ft8 s TRP 48 Ca 0.35 -0.93 0.02 0.00 -0.00 0.00 0.00 56.10 55.55 2ft8 s TRP 48 Cb 0.09 -1.39 0.00 0.00 -0.00 0.00 0.00 33.47 32.17 2ft8 s TRP 48 CO 0.16 -0.55 -0.08 0.08 -0.00 0.00 0.00 176.95 176.57 2ft8 s VAL 49 N 1.42 0.67 -0.12 5.86 1.01 -0.01 -0.98 120.40 128.25 2ft8 s VAL 49 Ca 0.01 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2ft8 s VAL 49 Cb -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.66 2ft8 s VAL 49 CO -0.07 0.21 -0.21 -0.22 0.00 0.00 0.00 175.10 174.81 2ft8 s LEU 50 N 0.07 2.23 0.29 3.92 2.96 -0.28 -0.74 118.68 127.13 2ft8 s LEU 50 Ca -0.01 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 2ft8 s LEU 50 Cb -0.06 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.16 2ft8 s LEU 50 CO 0.00 0.12 0.52 -0.94 -1.32 0.00 0.00 176.35 174.73 2ft8 s SER 51 N 0.56 0.19 0.77 3.68 1.04 -0.94 -0.65 113.70 118.35 2ft8 s SER 51 Ca -0.12 -1.10 -0.13 0.00 0.48 0.00 0.00 55.95 55.07 2ft8 s SER 51 Cb -0.17 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.65 2ft8 s SER 51 CO 0.04 -1.25 1.16 0.42 0.98 0.00 0.00 173.24 174.59 2ft8 s THR 52 N -3.55 2.56 0.32 2.02 -4.23 -1.26 -1.20 115.64 110.29 2ft8 s THR 52 Ca 0.24 0.24 0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2ft8 s THR 52 Cb -0.01 -2.66 0.29 0.00 1.34 0.00 0.00 72.50 71.46 2ft8 s THR 52 CO 0.12 -0.18 1.89 0.00 -0.54 0.00 0.00 174.62 175.91 2ft8 h ALA 53 N -0.71 1.61 -0.04 3.99 0.00 -1.21 -2.22 119.26 120.67 2ft8 h ALA 53 Ca -0.46 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2ft8 h ALA 53 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ft8 h ALA 53 CO 0.49 0.21 -0.45 0.00 0.00 0.00 0.00 179.25 179.50 2ft8 h ALA 54 N 1.55 1.17 0.00 0.00 0.00 -1.91 -2.87 119.26 117.19 2ft8 h ALA 54 Ca 0.42 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ft8 h ALA 54 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ft8 h ALA 54 CO -0.18 0.59 -0.34 -0.44 0.00 0.00 0.00 179.25 178.89 2ft8 h ASP 55 N 0.09 0.00 -0.37 0.00 3.32 -1.77 -3.40 116.42 114.28 2ft8 h ASP 55 Ca 0.00 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.02 2ft8 h ASP 55 Cb 0.83 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.33 2ft8 h ASP 55 CO 0.06 0.05 0.02 -0.03 -1.72 0.00 0.00 179.24 177.62 2ft8 h MET 56 N 0.00 0.13 -0.52 3.56 4.05 -1.25 -1.97 114.93 118.93 2ft8 h MET 56 Ca 0.00 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.43 2ft8 h MET 56 Cb 0.78 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.52 2ft8 h MET 56 CO 0.00 0.08 0.32 0.37 0.23 0.00 0.00 176.91 177.91 2ft8 h GLN 57 N 0.13 0.62 -0.40 0.39 4.15 -1.79 -0.17 115.11 118.05 2ft8 h GLN 57 Ca 0.18 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 2ft8 h GLN 57 Cb 0.24 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2ft8 h GLN 57 CO -0.28 0.41 -0.16 0.78 -1.93 0.00 0.00 178.83 177.64 2ft8 h GLY 58 N 0.64 0.81 0.99 2.39 0.00 -1.79 0.05 103.07 106.17 2ft8 h GLY 58 Ca 0.20 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2ft8 h GLY 58 CO -0.08 0.59 0.14 -2.08 0.00 0.00 0.00 176.54 175.12 2ft8 h VAL 59 N 0.67 1.07 0.01 4.60 2.07 -0.69 -0.57 116.25 123.40 2ft8 h VAL 59 Ca 0.10 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2ft8 h VAL 59 Cb 0.65 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2ft8 h VAL 59 CO 0.05 0.07 -0.00 0.58 0.02 0.00 0.00 177.57 178.28 2ft8 h VAL 60 N 0.29 1.05 -0.09 2.57 2.07 -0.83 -0.11 116.25 121.20 2ft8 h VAL 60 Ca 0.08 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2ft8 h VAL 60 Cb -0.01 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2ft8 h VAL 60 CO -0.02 0.04 0.05 0.74 0.02 0.00 0.00 177.57 178.41 2ft8 h THR 61 N -0.08 1.07 -0.18 2.57 2.02 -0.90 -0.54 112.91 116.86 2ft8 h THR 61 Ca -0.00 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 2ft8 h THR 61 Cb 0.08 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2ft8 h THR 61 CO 0.00 0.06 -0.30 0.44 0.37 0.00 0.00 175.52 176.09 2ft8 h ASP 62 N 0.07 0.36 -0.37 4.18 3.32 -1.13 -2.32 116.42 120.54 2ft8 h ASP 62 Ca 0.03 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2ft8 h ASP 62 Cb 0.05 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2ft8 h ASP 62 CO -0.01 0.65 0.07 1.23 -1.72 0.00 0.00 179.24 179.47 2ft8 h GLY 63 N 1.06 0.65 1.05 2.75 0.00 -0.51 -2.10 103.07 105.97 2ft8 h GLY 63 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ft8 h GLY 63 CO 0.05 0.40 0.62 -0.33 0.00 0.00 0.00 176.54 177.28 2ft8 h MET 64 N 0.45 1.27 0.00 4.80 2.86 -0.95 -0.90 114.93 122.47 2ft8 h MET 64 Ca 0.11 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2ft8 h MET 64 Cb 0.35 -0.28 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 2ft8 h MET 64 CO 0.01 0.86 -0.06 0.00 1.06 0.00 0.00 176.91 178.77 2ft8 h ALA 65 N 1.38 1.55 0.00 6.32 0.00 -1.20 -2.59 119.26 124.72 2ft8 h ALA 65 Ca 0.35 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 2ft8 h ALA 65 Cb -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2ft8 h ALA 65 CO -0.07 0.08 -1.17 0.77 0.00 0.00 0.00 179.25 178.86 2ft8 h SER 66 N 0.00 0.00 -4.18 0.00 0.02 -0.49 -3.50 113.55 105.40 2ft8 h SER 66 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ft8 h SER 66 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2ft8 h SER 66 CO 0.01 0.83 0.00 0.61 -1.14 0.00 0.00 176.83 177.14 2ft8 n GLY 67 N 1.39 -1.01 0.21 -3.77 0.00 -0.79 -4.46 105.19 96.76 2ft8 n GLY 67 Ca -0.06 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 2ft8 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ft8 h LEU 68 N 0.00 0.19 0.00 0.99 5.85 -1.89 -0.88 115.31 119.58 2ft8 h LEU 68 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ft8 h LEU 68 Cb 0.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2ft8 h LEU 68 CO 0.00 0.13 0.00 -0.90 -0.34 0.00 0.00 178.44 177.33 2ft8 n ASP 69 N -5.00 0.00 -1.00 1.25 5.75 -1.26 -0.84 116.55 115.45 2ft8 n ASP 69 Ca 0.06 0.41 0.04 0.00 -0.01 0.00 0.00 54.79 55.30 2ft8 n ASP 69 Cb 0.21 -0.46 0.24 0.00 -1.03 0.00 0.00 41.12 40.08 2ft8 n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ft8 n LYS 70 N -1.46 2.64 -2.12 0.11 4.01 -0.67 -4.96 118.16 115.70 2ft8 n LYS 70 Ca 0.05 -2.93 -0.20 0.00 -0.51 0.00 0.00 58.31 54.72 2ft8 n LYS 70 Cb 0.21 -1.85 -0.04 0.00 -0.51 0.00 0.00 35.03 32.84 2ft8 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2ft8 n ASP 71 N -0.68 -5.65 -3.88 4.39 8.00 -0.02 -2.08 116.55 116.63 2ft8 n ASP 71 Ca 0.25 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.64 2ft8 n ASP 71 Cb 0.95 -4.80 0.03 0.00 -0.02 0.00 0.00 41.12 37.28 2ft8 n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ft8 n TYR 72 N -3.41 -2.27 -4.02 1.24 4.01 -0.42 -4.66 117.16 107.63 2ft8 n TYR 72 Ca -0.23 0.90 -0.15 0.00 -0.16 0.00 0.00 57.90 58.26 2ft8 n TYR 72 Cb 0.68 -4.07 -0.15 0.00 -0.31 0.00 0.00 39.34 35.49 2ft8 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2ft8 s LEU 73 N -7.20 1.84 0.04 7.72 1.43 -0.88 -4.13 118.68 117.49 2ft8 s LEU 73 Ca 0.56 -0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 2ft8 s LEU 73 Cb -0.28 -0.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.70 2ft8 s LEU 73 CO 0.83 0.01 1.50 -0.75 0.23 0.00 0.00 176.35 178.16 2ft8 s LYS 74 N 0.15 4.25 0.26 1.70 2.20 -1.26 -4.82 119.74 122.23 2ft8 s LYS 74 Ca -0.01 2.12 -0.30 0.00 -0.36 0.00 0.00 55.97 57.42 2ft8 s LYS 74 Cb -0.04 -3.55 -0.14 0.00 -1.51 0.00 0.00 37.83 32.60 2ft8 s LYS 74 CO -0.00 -0.63 1.26 -2.30 -0.36 0.00 0.00 175.35 173.32 2ft8 n PRO 75 N 5.32 1.78 -1.86 4.03 -0.02 -1.26 -2.40 135.00 140.59 2ft8 n PRO 75 Ca 0.14 0.63 -0.18 0.00 -2.02 0.00 0.00 63.50 62.07 2ft8 n PRO 75 Cb 0.42 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 2ft8 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2ft8 n ASP 76 N 1.61 -5.21 -4.62 2.55 8.00 -1.26 -4.90 116.55 112.73 2ft8 n ASP 76 Ca 0.10 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.43 2ft8 n ASP 76 Cb 0.32 -4.29 -0.03 0.00 -0.02 0.00 0.00 41.12 37.10 2ft8 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2ft8 s ASP 77 N -2.55 5.84 0.00 -2.24 -1.08 -1.01 -4.84 116.67 110.79 2ft8 s ASP 77 Ca 0.00 1.91 0.21 0.00 -0.52 0.00 0.00 52.55 54.15 2ft8 s ASP 77 Cb 0.00 -2.52 1.03 0.00 -1.46 0.00 0.00 42.92 39.97 2ft8 s ASP 77 CO 0.00 -1.65 1.67 -1.54 0.52 0.00 0.00 175.17 174.17 2ft8 n SER 78 N 10.22 0.00 0.21 -0.34 3.41 -1.26 -2.24 113.62 123.63 2ft8 n SER 78 Ca 0.25 0.08 0.11 0.00 -0.26 0.00 0.00 58.87 59.05 2ft8 n SER 78 Cb 0.45 -0.32 0.18 0.00 -0.26 0.00 0.00 64.21 64.25 2ft8 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2ft8 h ARG 79 N 0.00 0.00 -6.18 4.33 3.08 -1.97 -3.43 114.38 110.20 2ft8 h ARG 79 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2ft8 h ARG 79 Cb 0.23 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.17 2ft8 h ARG 79 CO 0.00 0.06 0.61 0.08 -1.07 0.00 0.00 179.97 179.64 2ft8 s VAL 80 N -3.21 4.47 0.14 2.04 1.01 -0.95 -4.50 120.40 119.39 2ft8 s VAL 80 Ca 0.06 0.82 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 2ft8 s VAL 80 Cb 0.05 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2ft8 s VAL 80 CO 0.67 -0.82 1.41 0.40 0.00 0.00 0.00 175.10 176.77 2ft8 h ILE 81 N 6.06 1.28 -2.21 2.22 2.04 -1.18 -3.47 117.51 122.27 2ft8 h ILE 81 Ca -0.24 -1.79 -0.07 0.00 1.00 0.00 0.00 64.86 63.76 2ft8 h ILE 81 Cb 1.07 1.72 -0.20 0.00 -0.74 0.00 0.00 36.82 38.68 2ft8 h ILE 81 CO 1.03 0.58 0.09 0.00 0.00 0.00 0.00 178.15 179.84 2ft8 s ALA 82 N -4.03 -1.57 0.02 1.87 0.00 -1.23 -4.96 121.76 111.87 2ft8 s ALA 82 Ca -0.10 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.88 2ft8 s ALA 82 Cb 0.10 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.11 2ft8 s ALA 82 CO 0.88 -0.34 0.47 -3.38 0.00 0.00 0.00 175.76 173.40 2ft8 s HIS 83 N -0.97 -0.36 0.61 0.00 -3.43 -1.26 -1.13 115.29 108.75 2ft8 s HIS 83 Ca -0.10 0.44 -0.01 0.00 -0.80 0.00 0.00 55.06 54.59 2ft8 s HIS 83 Cb -0.02 0.27 0.06 0.00 -1.43 0.00 0.00 32.58 31.46 2ft8 s HIS 83 CO 0.08 -0.58 0.86 0.95 -2.00 0.00 0.00 174.74 174.05 2ft8 s THR 84 N -2.14 2.49 0.89 -5.38 -4.23 -0.15 -4.79 115.64 102.33 2ft8 s THR 84 Ca -0.07 -0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 59.74 2ft8 s THR 84 Cb -0.01 -2.92 0.16 0.00 1.34 0.00 0.00 72.50 71.07 2ft8 s THR 84 CO 0.00 0.00 1.25 -0.54 -0.54 0.00 0.00 174.62 174.79 2ft8 s LYS 85 N -4.93 1.12 0.19 3.99 1.02 -1.26 -4.55 119.74 115.31 2ft8 s LYS 85 Ca 0.60 -0.34 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 2ft8 s LYS 85 Cb -0.09 -1.93 -0.08 0.00 -0.52 0.00 0.00 37.83 35.21 2ft8 s LYS 85 CO 0.41 -2.08 0.94 -1.17 -0.92 0.00 0.00 175.35 172.52 2ft8 s LEU 86 N -5.72 4.59 0.04 3.17 2.96 -1.26 -4.44 118.68 118.03 2ft8 s LEU 86 Ca 0.70 1.87 0.06 0.00 -0.22 0.00 0.00 54.13 56.54 2ft8 s LEU 86 Cb -0.06 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2ft8 s LEU 86 CO 0.51 0.08 -0.18 0.27 -1.32 0.00 0.00 176.35 175.71 2ft8 s ILE 87 N -0.74 1.42 0.50 6.68 -4.36 0.21 -4.90 121.20 120.00 2ft8 s ILE 87 Ca 0.43 -1.12 0.08 0.00 -0.26 0.00 0.00 60.65 59.77 2ft8 s ILE 87 Cb -0.25 -1.25 0.08 0.00 1.25 0.00 0.00 42.46 42.29 2ft8 s ILE 87 CO 0.31 0.10 0.69 0.61 0.24 0.00 0.00 174.94 176.89 2ft8 n GLY 88 N 1.84 1.87 3.75 6.27 0.00 -1.26 -1.41 105.19 116.25 2ft8 n GLY 88 Ca -0.18 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 2ft8 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ft8 n SER 89 N -2.47 3.33 0.00 1.61 3.41 -0.16 -1.62 113.62 117.73 2ft8 n SER 89 Ca 0.14 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.91 2ft8 n SER 89 Cb 0.51 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 2ft8 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ft8 n GLY 90 N 0.58 3.05 3.90 5.00 0.00 -0.37 -4.94 105.19 112.40 2ft8 n GLY 90 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2ft8 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ft8 s GLU 91 N -0.17 2.67 0.01 1.61 2.02 -0.64 -4.92 118.70 119.28 2ft8 s GLU 91 Ca 0.00 0.27 -0.04 0.00 0.02 0.00 0.00 54.97 55.22 2ft8 s GLU 91 Cb 0.00 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 2ft8 s GLU 91 CO 0.00 -1.09 0.06 0.15 0.02 0.00 0.00 175.26 174.40 2ft8 s LYS 92 N -5.33 0.40 -0.15 1.61 1.02 -1.26 -3.60 119.74 112.43 2ft8 s LYS 92 Ca 0.58 -0.49 -0.17 0.00 0.02 0.00 0.00 55.97 55.92 2ft8 s LYS 92 Cb -0.11 0.16 0.04 0.00 -0.52 0.00 0.00 37.83 37.40 2ft8 s LYS 92 CO 0.50 -0.08 0.45 0.34 -0.92 0.00 0.00 175.35 175.64 2ft8 s ASP 93 N -1.39 -0.45 0.13 2.83 2.15 -0.76 -5.03 116.67 114.15 2ft8 s ASP 93 Ca -0.15 0.82 0.08 0.00 0.43 0.00 0.00 52.55 53.73 2ft8 s ASP 93 Cb -0.09 0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 43.34 2ft8 s ASP 93 CO 0.00 -0.21 -0.10 -0.44 -0.17 0.00 0.00 175.17 174.25 2ft8 s SER 94 N -0.00 4.34 -0.01 -0.34 0.01 -1.26 -0.78 113.70 115.66 2ft8 s SER 94 Ca -0.02 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.82 2ft8 s SER 94 Cb -0.03 -0.79 -0.00 0.00 0.21 0.00 0.00 66.02 65.40 2ft8 s SER 94 CO 0.01 0.16 -0.07 0.54 0.41 0.00 0.00 173.24 174.29 2ft8 s VAL 95 N -1.34 0.61 -0.01 3.43 0.11 -0.39 -4.91 120.40 117.90 2ft8 s VAL 95 Ca 0.22 -0.31 0.07 0.00 -2.93 0.00 0.00 61.98 59.03 2ft8 s VAL 95 Cb -0.10 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2ft8 s VAL 95 CO 0.14 0.18 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.98 2ft8 s THR 96 N -0.09 2.43 0.05 5.04 2.01 -1.26 -0.61 115.64 123.22 2ft8 s THR 96 Ca 0.02 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 2ft8 s THR 96 Cb -0.04 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2ft8 s THR 96 CO -0.00 0.53 -0.03 0.72 -0.69 0.00 0.00 174.62 175.14 2ft8 s PHE 97 N -0.70 0.52 -0.31 4.92 -0.71 -0.18 -4.96 117.98 116.56 2ft8 s PHE 97 Ca 0.11 -0.96 -0.29 0.00 -1.04 0.00 0.00 56.93 54.75 2ft8 s PHE 97 Cb -0.10 -0.37 0.01 0.00 -1.21 0.00 0.00 43.02 41.35 2ft8 s PHE 97 CO 0.00 -0.32 1.14 0.34 -1.34 0.00 0.00 175.22 175.04 2ft8 s ASP 98 N -2.69 6.87 0.52 1.98 -1.08 -1.26 -1.00 116.67 120.00 2ft8 s ASP 98 Ca 0.04 1.11 0.27 0.00 -0.52 0.00 0.00 52.55 53.45 2ft8 s ASP 98 Cb 0.05 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.41 2ft8 s ASP 98 CO -0.08 -0.93 2.07 0.58 0.52 0.00 0.00 175.17 177.33 2ft8 h VAL 99 N 5.78 0.55 0.00 1.11 2.07 -1.62 -1.17 116.25 122.98 2ft8 h VAL 99 Ca -0.22 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2ft8 h VAL 99 Cb 1.07 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2ft8 h VAL 99 CO 1.03 0.11 0.00 -1.54 0.02 0.00 0.00 177.57 177.20 2ft8 n SER 100 N -3.63 0.39 0.17 0.57 3.41 -1.26 -1.70 113.62 111.56 2ft8 n SER 100 Ca -0.02 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 2ft8 n SER 100 Cb 0.24 -0.70 0.57 0.00 -0.26 0.00 0.00 64.21 64.06 2ft8 n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2ft8 h LYS 101 N 0.00 0.00 -5.55 4.33 6.56 -1.60 -3.42 116.57 116.89 2ft8 h LYS 101 Ca 0.00 0.00 -0.62 0.00 -1.06 0.00 0.00 60.65 58.97 2ft8 h LYS 101 Cb 0.20 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 31.74 2ft8 h LYS 101 CO 0.00 0.00 0.19 -0.51 -2.06 0.00 0.00 179.45 177.07 2ft8 s LEU 102 N -4.80 4.16 -0.02 2.94 1.43 -0.69 -5.04 118.68 116.66 2ft8 s LEU 102 Ca 0.02 0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 2ft8 s LEU 102 Cb 0.09 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 2ft8 s LEU 102 CO 0.38 -0.54 0.28 -0.54 0.23 0.00 0.00 176.35 176.17 2ft8 s LYS 103 N 2.70 3.65 0.08 1.70 -0.14 -1.26 -5.05 119.74 121.43 2ft8 s LYS 103 Ca 0.26 0.07 -0.37 0.00 -1.36 0.00 0.00 55.97 54.58 2ft8 s LYS 103 Cb -0.15 -3.14 -0.17 0.00 -1.68 0.00 0.00 37.83 32.69 2ft8 s LYS 103 CO 0.13 0.69 1.30 0.39 -0.76 0.00 0.00 175.35 177.10 2ft8 n GLU 104 N 1.54 1.02 -0.29 1.68 -0.58 -1.26 -2.38 120.64 120.37 2ft8 n GLU 104 Ca -0.14 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 2ft8 n GLU 104 Cb 0.53 -1.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 2ft8 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ft8 n GLY 105 N 2.39 1.67 3.88 0.62 0.00 -1.26 -5.03 105.19 107.46 2ft8 n GLY 105 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2ft8 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ft8 s GLU 106 N -0.27 3.75 -0.29 1.61 2.56 -1.00 -5.07 118.70 120.00 2ft8 s GLU 106 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 54.97 55.24 2ft8 s GLU 106 Cb 0.00 -2.47 -0.01 0.00 2.00 0.00 0.00 34.13 33.65 2ft8 s GLU 106 CO 0.00 0.05 0.11 -1.14 -0.56 0.00 0.00 175.26 173.72 2ft8 s GLN 107 N -3.70 3.40 -0.09 4.30 0.74 -1.26 -4.97 119.66 118.08 2ft8 s GLN 107 Ca 0.49 -0.66 -0.02 0.00 0.05 0.00 0.00 55.36 55.22 2ft8 s GLN 107 Cb -0.10 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.51 2ft8 s GLN 107 CO 0.30 -0.35 0.00 0.71 -0.55 0.00 0.00 175.29 175.40 2ft8 s TYR 108 N 1.60 3.16 0.06 1.67 2.02 -1.26 -0.66 117.35 123.94 2ft8 s TYR 108 Ca 0.05 0.16 0.08 0.00 -0.37 0.00 0.00 57.07 56.98 2ft8 s TYR 108 Cb -0.16 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2ft8 s TYR 108 CO 0.05 0.42 -0.21 -1.64 -1.57 0.00 0.00 175.55 172.60 2ft8 s MET 109 N -0.74 1.31 0.15 -0.62 -1.94 -0.34 -2.06 119.30 115.05 2ft8 s MET 109 Ca 0.12 -1.01 0.08 0.00 -1.71 0.00 0.00 55.69 53.16 2ft8 s MET 109 Cb -0.12 -1.47 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 2ft8 s MET 109 CO 0.02 0.37 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.73 2ft8 s PHE 110 N -0.91 2.73 0.02 -0.03 -0.12 -0.05 -2.20 117.98 117.42 2ft8 s PHE 110 Ca 0.07 -0.17 -0.28 0.00 -0.05 0.00 0.00 56.93 56.50 2ft8 s PHE 110 Cb -0.09 -1.37 0.10 0.00 -0.63 0.00 0.00 43.02 41.02 2ft8 s PHE 110 CO 0.03 0.48 0.82 -0.59 -0.05 0.00 0.00 175.22 175.90 2ft8 s PHE 111 N -1.50 -0.40 -0.11 3.49 -0.71 0.08 -0.80 117.98 118.03 2ft8 s PHE 111 Ca 0.24 0.30 -0.16 0.00 -1.04 0.00 0.00 56.93 56.27 2ft8 s PHE 111 Cb -0.10 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 2ft8 s PHE 111 CO 0.15 -0.61 0.41 0.00 -1.34 0.00 0.00 175.22 173.83 2ft8 h THR 113 N 4.51 1.36 0.00 0.00 1.35 -1.87 -3.29 112.91 114.97 2ft8 h THR 113 Ca -0.43 -1.38 -0.02 0.00 -0.55 0.00 0.00 66.41 64.03 2ft8 h THR 113 Cb 1.18 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.54 2ft8 h THR 113 CO 0.73 0.41 -0.10 1.55 -0.25 0.00 0.00 175.52 177.86 2ft8 h PRO 114 N -0.03 0.00 -6.34 4.72 0.13 -1.89 -3.46 132.00 125.13 2ft8 h PRO 114 Ca 0.02 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.55 2ft8 h PRO 114 Cb 0.73 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.67 2ft8 h PRO 114 CO 0.04 0.10 -0.81 -1.01 -0.23 0.00 0.00 178.00 176.09 2ft8 s HIS 115 N -3.64 2.07 -1.10 1.56 3.76 -1.24 -5.04 115.29 111.66 2ft8 s HIS 115 Ca 0.01 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.33 2ft8 s HIS 115 Cb 0.09 -1.04 -0.06 0.00 1.11 0.00 0.00 32.58 32.67 2ft8 s HIS 115 CO 0.59 0.39 2.06 -0.35 -0.85 0.00 0.00 174.74 176.58 2ft8 n PRO 116 N 0.43 2.15 -4.07 8.40 -0.04 -1.26 -4.50 135.00 136.10 2ft8 n PRO 116 Ca -0.14 -2.22 -0.21 0.00 -0.04 0.00 0.00 63.50 60.89 2ft8 n PRO 116 Cb 0.56 -3.11 -0.17 0.00 -0.04 0.00 0.00 33.50 30.74 2ft8 n PRO 116 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2ft8 s MET 117 N 4.19 0.80 0.24 0.54 -1.94 -1.26 -4.99 119.30 116.88 2ft8 s MET 117 Ca 0.53 -0.07 -0.19 0.00 -1.71 0.00 0.00 55.69 54.25 2ft8 s MET 117 Cb 0.14 -0.89 0.02 0.00 2.01 0.00 0.00 34.83 36.12 2ft8 s MET 117 CO 0.02 -0.13 0.62 -1.59 -0.01 0.00 0.00 175.02 173.93 2ft8 s LYS 118 N 1.15 1.59 0.20 2.03 -2.85 -1.26 -2.16 119.74 118.44 2ft8 s LYS 118 Ca -0.07 -0.93 -0.21 0.00 -1.00 0.00 0.00 55.97 53.75 2ft8 s LYS 118 Cb -0.14 0.57 0.08 0.00 -2.06 0.00 0.00 37.83 36.27 2ft8 s LYS 118 CO -0.01 -0.70 1.03 0.20 0.10 0.00 0.00 175.35 175.96 2ft8 s GLY 119 N -2.90 0.16 0.01 0.59 0.00 0.02 -4.84 107.32 100.36 2ft8 s GLY 119 Ca 0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 2ft8 s GLY 119 CO 0.02 2.59 0.11 -0.51 0.00 0.00 0.00 173.10 175.31 2ft8 s THR 120 N -2.07 4.92 -0.09 0.90 -4.23 -0.56 -0.87 115.64 113.63 2ft8 s THR 120 Ca 0.23 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.38 2ft8 s THR 120 Cb -0.03 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.54 2ft8 s THR 120 CO 0.06 0.31 -0.18 -0.22 -0.54 0.00 0.00 174.62 174.05 2ft8 s LEU 121 N -1.90 1.84 0.02 4.79 0.20 -0.87 -0.70 118.68 122.05 2ft8 s LEU 121 Ca 0.25 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.68 2ft8 s LEU 121 Cb -0.12 -1.12 -0.02 0.00 -0.43 0.00 0.00 46.19 44.51 2ft8 s LEU 121 CO 0.17 0.08 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.29 2ft8 s THR 122 N 0.62 1.00 0.06 3.68 2.01 -0.42 -4.10 115.64 118.49 2ft8 s THR 122 Ca -0.14 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 2ft8 s THR 122 Cb -0.16 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 2ft8 s THR 122 CO 0.04 0.11 1.10 -0.76 -0.69 0.00 0.00 174.62 174.42 2ft8 s LEU 123 N -0.75 4.39 0.00 4.42 1.43 -1.26 -1.02 118.68 125.90 2ft8 s LEU 123 Ca 0.02 1.89 0.12 0.00 -1.03 0.00 0.00 54.13 55.14 2ft8 s LEU 123 Cb -0.06 -3.58 0.73 0.00 0.03 0.00 0.00 46.19 43.31 2ft8 s LEU 123 CO 0.00 -0.34 1.16 1.17 0.23 0.00 0.00 176.35 178.57