#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfm s ALA 2 N 0.00 2.46 -0.14 2.24 0.00 -1.26 -5.12 121.76 119.94 1jfm s ALA 2 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1jfm s ALA 2 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1jfm s ALA 2 CO 0.00 0.56 -0.19 -1.01 0.00 0.00 0.00 175.76 175.12 1jfm s HIS 3 N -0.92 2.71 0.48 0.00 3.76 -1.26 -5.09 115.29 114.97 1jfm s HIS 3 Ca 0.14 -1.11 0.05 0.00 -0.15 0.00 0.00 55.06 53.98 1jfm s HIS 3 Cb -0.10 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 1jfm s HIS 3 CO 0.05 -0.49 0.14 -1.54 -0.85 0.00 0.00 174.74 172.05 1jfm s SER 4 N 0.70 4.29 -0.14 1.40 1.04 -1.26 -4.76 113.70 114.97 1jfm s SER 4 Ca -0.09 -1.37 -0.21 0.00 0.48 0.00 0.00 55.95 54.77 1jfm s SER 4 Cb -0.16 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1jfm s SER 4 CO 0.01 -0.77 0.61 -0.22 0.98 0.00 0.00 173.24 173.85 1jfm s LEU 5 N -3.95 4.23 0.05 2.42 0.20 0.27 -4.33 118.68 117.56 1jfm s LEU 5 Ca 0.26 0.92 0.07 0.00 0.69 0.00 0.00 54.13 56.07 1jfm s LEU 5 Cb 0.03 -2.89 -0.03 0.00 -0.43 0.00 0.00 46.19 42.87 1jfm s LEU 5 CO 0.14 -0.15 -0.21 -0.13 -0.29 0.00 0.00 176.35 175.71 1jfm s ARG 6 N 1.24 1.36 -0.08 1.98 0.52 -0.82 0.97 118.95 124.12 1jfm s ARG 6 Ca 0.30 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1jfm s ARG 6 Cb -0.16 -1.50 0.02 0.00 0.52 0.00 0.00 34.95 33.83 1jfm s ARG 6 CO 0.12 0.38 -0.10 0.00 0.02 0.00 0.00 175.30 175.72 1jfm s ASN 8 N 1.05 5.12 -0.17 0.00 0.02 0.90 -1.81 114.94 120.06 1jfm s ASN 8 Ca -0.07 -0.19 -0.03 0.00 -1.02 0.00 0.00 52.86 51.54 1jfm s ASN 8 Cb -0.15 -1.91 -0.02 0.00 0.02 0.00 0.00 41.25 39.19 1jfm s ASN 8 CO -0.01 -0.01 -0.05 -0.76 0.02 0.00 0.00 177.10 176.29 1jfm s LEU 9 N 1.48 3.07 -0.01 0.60 1.02 -0.15 -1.76 118.68 122.93 1jfm s LEU 9 Ca 0.06 -0.23 0.05 0.00 0.02 0.00 0.00 54.13 54.02 1jfm s LEU 9 Cb -0.15 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 1jfm s LEU 9 CO 0.03 0.12 -0.15 -0.89 0.02 0.00 0.00 176.35 175.49 1jfm s THR 10 N 0.65 3.04 -0.31 5.49 2.01 0.18 0.18 115.64 126.88 1jfm s THR 10 Ca -0.03 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 1jfm s THR 10 Cb -0.15 -2.24 0.11 0.00 0.01 0.00 0.00 72.50 70.23 1jfm s THR 10 CO 0.02 0.47 0.14 -0.63 -0.69 0.00 0.00 174.62 173.94 1jfm s ILE 11 N -0.84 0.15 0.35 1.82 1.01 0.45 -1.41 121.20 122.72 1jfm s ILE 11 Ca 0.13 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1jfm s ILE 11 Cb -0.11 -1.14 0.07 0.00 0.01 0.00 0.00 42.46 41.29 1jfm s ILE 11 CO 0.03 -0.77 0.48 0.29 0.00 0.00 0.00 174.94 174.97 1jfm n LYS 12 N 4.93 0.46 -3.87 2.79 5.02 -1.12 -1.05 118.16 125.32 1jfm n LYS 12 Ca -0.02 -1.50 -0.36 0.00 -2.02 0.00 0.00 58.31 54.41 1jfm n LYS 12 Cb 0.41 -0.26 -0.13 0.00 -0.02 0.00 0.00 35.03 35.03 1jfm n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jfm s ASP 13 N -3.02 4.86 -0.29 4.39 -1.08 -1.26 -4.66 116.67 115.61 1jfm s ASP 13 Ca 0.33 -0.25 -0.41 0.00 -0.52 0.00 0.00 52.55 51.70 1jfm s ASP 13 Cb -0.02 -1.86 -0.17 0.00 -1.46 0.00 0.00 42.92 39.41 1jfm s ASP 13 CO 0.22 -0.01 1.65 -2.65 0.52 0.00 0.00 175.17 174.90 1jfm n PRO 14 N 4.72 0.84 -4.51 4.34 -0.02 -1.26 -4.90 135.00 134.21 1jfm n PRO 14 Ca -0.17 0.31 -0.27 0.00 -2.02 0.00 0.00 63.50 61.35 1jfm n PRO 14 Cb 0.51 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.92 1jfm n PRO 14 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jfm s THR 15 N 3.02 1.93 0.40 3.45 -4.23 -1.21 -4.88 115.64 114.12 1jfm s THR 15 Ca 0.98 -1.50 0.12 0.00 -1.18 0.00 0.00 61.69 60.12 1jfm s THR 15 Cb -1.17 -1.71 0.33 0.00 1.34 0.00 0.00 72.50 71.30 1jfm s THR 15 CO 0.67 0.12 1.92 -0.65 -0.54 0.00 0.00 174.62 176.15 1jfm h PRO 16 N 4.34 0.53 -0.40 3.99 0.11 -1.98 0.60 132.00 139.18 1jfm h PRO 16 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jfm h PRO 16 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jfm h PRO 16 CO 0.41 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 1jfm n ALA 17 N -2.49 2.57 0.00 -0.75 0.00 -1.26 -4.37 120.51 114.22 1jfm n ALA 17 Ca 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1jfm n ALA 17 Cb 0.44 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1jfm n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jfm n ASP 18 N 0.32 0.00 -0.49 0.00 10.43 -0.04 -5.02 116.55 121.75 1jfm n ASP 18 Ca 0.10 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.46 1jfm n ASP 18 Cb 0.32 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.28 1jfm n ASP 18 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1jfm n PRO 19 N 0.00 0.17 -2.48 -0.24 -0.04 0.19 -3.30 135.00 129.30 1jfm n PRO 19 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1jfm n PRO 19 Cb 0.00 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 1jfm n PRO 19 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jfm s LEU 20 N -0.03 3.31 0.00 1.53 0.20 -1.26 -4.75 118.68 117.68 1jfm s LEU 20 Ca 0.00 -0.81 0.30 0.00 0.69 0.00 0.00 54.13 54.30 1jfm s LEU 20 Cb 0.00 -2.56 1.56 0.00 -0.43 0.00 0.00 46.19 44.76 1jfm s LEU 20 CO 0.00 -1.81 2.06 -2.67 -0.29 0.00 0.00 176.35 173.63 1jfm n TRP 21 N 9.77 0.00 -3.57 5.38 4.27 -1.26 -4.38 117.44 127.65 1jfm n TRP 21 Ca 0.19 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.67 1jfm n TRP 21 Cb 0.50 -0.23 -0.06 0.00 -1.36 0.00 0.00 31.31 30.16 1jfm n TRP 21 CO 0.00 0.00 0.00 1.52 -2.29 0.00 0.00 177.69 176.92 1jfm s TYR 22 N -2.45 -0.51 -0.01 -2.67 -0.85 -1.26 -2.81 117.35 106.79 1jfm s TYR 22 Ca 0.32 0.99 -0.15 0.00 -0.52 0.00 0.00 57.07 57.70 1jfm s TYR 22 Cb 0.20 0.41 0.02 0.00 0.38 0.00 0.00 41.96 42.97 1jfm s TYR 22 CO 0.43 -0.41 0.32 -2.00 -1.52 0.00 0.00 175.55 172.37 1jfm s GLU 23 N -0.79 0.70 -0.11 -3.49 2.12 -0.50 -3.80 118.70 112.83 1jfm s GLU 23 Ca -0.04 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.00 1jfm s GLU 23 Cb -0.01 0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.73 1jfm s GLU 23 CO 0.03 -0.20 0.26 0.00 -0.54 0.00 0.00 175.26 174.81 1jfm s ALA 24 N -1.52 -0.60 -0.02 6.30 0.00 -0.56 -0.64 121.76 124.72 1jfm s ALA 24 Ca -0.12 1.00 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1jfm s ALA 24 Cb -0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1jfm s ALA 24 CO 0.03 -0.19 -0.11 0.15 0.00 0.00 0.00 175.76 175.64 1jfm s LYS 25 N 1.12 0.99 -0.00 0.00 1.02 -0.72 -0.72 119.74 121.42 1jfm s LYS 25 Ca -0.08 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 55.56 1jfm s LYS 25 Cb -0.09 -0.94 -0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1jfm s LYS 25 CO -0.08 0.19 -0.09 0.00 -0.92 0.00 0.00 175.35 174.46 1jfm s PHE 27 N -0.25 0.77 -0.11 0.00 -0.00 -0.55 0.63 117.98 118.45 1jfm s PHE 27 Ca 0.03 -1.07 0.00 0.00 -0.00 0.00 0.00 56.93 55.90 1jfm s PHE 27 Cb -0.04 0.01 0.02 0.00 -0.00 0.00 0.00 43.02 43.01 1jfm s PHE 27 CO -0.00 -1.05 -0.10 0.08 -0.00 0.00 0.00 175.22 174.15 1jfm s VAL 28 N -3.51 1.16 0.00 -2.49 1.01 -0.22 -1.95 120.40 114.40 1jfm s VAL 28 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1jfm s VAL 28 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1jfm s VAL 28 CO 0.15 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1jfm n GLY 29 N 4.69 4.17 0.00 4.51 0.00 -1.26 -0.76 105.19 116.54 1jfm n GLY 29 Ca -0.15 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1jfm n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jfm n GLU 30 N 13.94 1.66 -1.62 1.61 4.71 -1.26 -4.94 120.64 134.74 1jfm n GLU 30 Ca 0.00 -0.05 -0.43 0.00 -0.01 0.00 0.00 57.16 56.66 1jfm n GLU 30 Cb 0.00 -1.22 -0.03 0.00 -1.01 0.00 0.00 31.44 29.18 1jfm n GLU 30 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1jfm n ILE 31 N -1.60 0.51 -1.79 -3.67 5.41 0.06 -4.95 119.36 113.33 1jfm n ILE 31 Ca 0.00 -0.32 -0.31 0.00 1.00 0.00 0.00 62.75 63.12 1jfm n ILE 31 Cb 0.27 -2.40 0.03 0.00 -0.71 0.00 0.00 39.64 36.83 1jfm n ILE 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1jfm s LEU 32 N 6.64 3.27 0.00 1.39 0.20 -1.26 -1.06 118.68 127.86 1jfm s LEU 32 Ca 0.96 1.63 0.00 0.00 0.69 0.00 0.00 54.13 57.41 1jfm s LEU 32 Cb -0.41 -4.50 0.00 0.00 -0.43 0.00 0.00 46.19 40.85 1jfm s LEU 32 CO 0.39 -1.22 0.00 -0.38 -0.29 0.00 0.00 176.35 174.85 1jfm n ILE 33 N -2.71 0.00 -3.78 6.68 5.41 0.20 -4.86 119.36 120.32 1jfm n ILE 33 Ca 0.07 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.70 1jfm n ILE 33 Cb 0.53 -0.96 -0.13 0.00 -0.71 0.00 0.00 39.64 38.38 1jfm n ILE 33 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1jfm s LEU 34 N -5.38 0.97 -0.22 1.39 0.20 -1.03 -4.87 118.68 109.73 1jfm s LEU 34 Ca 0.00 0.35 -0.01 0.00 0.69 0.00 0.00 54.13 55.17 1jfm s LEU 34 Cb 0.00 0.52 0.06 0.00 -0.43 0.00 0.00 46.19 46.35 1jfm s LEU 34 CO 0.00 -0.11 -0.01 -2.28 -0.29 0.00 0.00 176.35 173.66 1jfm s HIS 35 N 0.67 1.75 0.36 5.38 2.46 -1.26 -1.14 115.29 123.52 1jfm s HIS 35 Ca -0.05 -1.34 0.09 0.00 0.47 0.00 0.00 55.06 54.23 1jfm s HIS 35 Cb -0.06 -1.33 -0.07 0.00 -0.13 0.00 0.00 32.58 30.99 1jfm s HIS 35 CO -0.03 -0.70 -0.06 -0.51 -2.47 0.00 0.00 174.74 170.96 1jfm s LEU 36 N 1.61 2.76 0.00 8.88 1.43 0.10 -3.60 118.68 129.87 1jfm s LEU 36 Ca -0.03 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.82 1jfm s LEU 36 Cb -0.18 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1jfm s LEU 36 CO -0.07 -0.28 0.00 -1.54 0.23 0.00 0.00 176.35 174.68 1jfm n SER 37 N -0.84 0.00 -4.71 2.29 3.41 -1.12 -1.49 113.62 111.16 1jfm n SER 37 Ca -0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.14 1jfm n SER 37 Cb 0.65 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.57 1jfm n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jfm s ASN 38 N 0.00 6.97 0.00 4.04 4.22 -1.25 -2.70 114.94 126.23 1jfm s ASN 38 Ca 0.00 2.12 0.00 0.00 -2.14 0.00 0.00 52.86 52.84 1jfm s ASN 38 Cb 0.00 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.95 1jfm s ASN 38 CO 0.00 -0.55 0.00 -0.38 -2.04 0.00 0.00 177.10 174.13 1jfm n ILE 39 N 4.01 0.00 -4.15 0.54 5.41 -1.26 -4.87 119.36 119.03 1jfm n ILE 39 Ca 0.10 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.69 1jfm n ILE 39 Cb 0.45 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.25 1jfm n ILE 39 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1jfm s ASN 40 N -0.10 1.12 -0.28 4.38 -0.87 -1.10 -5.13 114.94 112.97 1jfm s ASN 40 Ca 0.00 -0.47 -0.11 0.00 -1.57 0.00 0.00 52.86 50.71 1jfm s ASN 40 Cb 0.00 -0.02 0.11 0.00 -0.02 0.00 0.00 41.25 41.32 1jfm s ASN 40 CO 0.00 -0.09 0.63 -1.59 -2.57 0.00 0.00 177.10 173.48 1jfm s LYS 41 N -1.29 0.58 0.35 -0.60 0.00 -1.26 -2.79 119.74 114.72 1jfm s LYS 41 Ca -0.04 1.35 0.03 0.00 0.00 0.00 0.00 55.97 57.30 1jfm s LYS 41 Cb -0.08 0.64 -0.01 0.00 0.00 0.00 0.00 37.83 38.37 1jfm s LYS 41 CO 0.01 -0.19 0.40 0.95 0.00 0.00 0.00 175.35 176.51 1jfm s THR 42 N 2.54 0.00 0.00 3.79 -4.23 -1.24 -5.11 115.64 111.40 1jfm s THR 42 Ca -0.07 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1jfm s THR 42 Cb -0.10 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1jfm s THR 42 CO -0.18 0.00 0.00 0.23 -0.54 0.00 0.00 174.62 174.13 1jfm n MET 43 N -0.62 0.00 -3.52 3.99 2.81 -1.26 -4.40 117.12 114.12 1jfm n MET 43 Ca 0.04 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.79 1jfm n MET 43 Cb 0.62 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 33.01 1jfm n MET 43 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1jfm s THR 44 N -2.00 -0.42 0.39 2.03 -4.23 -1.26 -5.16 115.64 104.99 1jfm s THR 44 Ca 0.00 0.02 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1jfm s THR 44 Cb 0.00 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 1jfm s THR 44 CO 0.00 -0.08 0.11 -0.55 -0.54 0.00 0.00 174.62 173.56 1jfm s SER 45 N 2.41 2.69 0.00 3.99 0.15 -1.26 -4.97 113.70 116.72 1jfm s SER 45 Ca 0.06 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1jfm s SER 45 Cb -0.14 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1jfm s SER 45 CO -0.12 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.08 1jfm n GLY 46 N -0.86 -0.50 4.01 9.45 0.00 -1.26 -5.13 105.19 110.90 1jfm n GLY 46 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1jfm n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jfm s ASP 47 N 0.00 4.55 0.00 1.61 1.01 -1.26 -5.08 116.67 117.50 1jfm s ASP 47 Ca 0.00 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.72 1jfm s ASP 47 Cb 0.00 0.13 0.00 0.00 1.01 0.00 0.00 42.92 44.06 1jfm s ASP 47 CO 0.00 -1.73 0.00 -2.65 0.21 0.00 0.00 175.17 171.00 1jfm n PRO 48 N -2.66 0.25 0.00 8.23 -0.02 -1.26 -4.30 135.00 135.23 1jfm n PRO 48 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1jfm n PRO 48 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 1jfm n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jfm n GLY 49 N 0.70 1.26 0.00 -1.23 0.00 -1.26 -3.48 105.19 101.18 1jfm n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jfm n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jfm n GLU 50 N 0.38 0.00 0.00 1.61 1.02 -1.26 -4.62 120.64 117.77 1jfm n GLU 50 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1jfm n GLU 50 Cb 0.27 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.82 1jfm n GLU 50 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jfm n THR 51 N 0.00 0.00 0.06 2.62 -2.24 -1.26 -1.47 114.28 111.99 1jfm n THR 51 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1jfm n THR 51 Cb 0.00 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.31 1jfm n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jfm h ALA 52 N 2.13 0.10 0.00 6.98 0.00 -1.74 -1.43 119.26 125.30 1jfm h ALA 52 Ca 0.00 -0.73 -0.26 0.00 0.00 0.00 0.00 54.91 53.92 1jfm h ALA 52 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1jfm h ALA 52 CO 0.00 0.70 -1.50 -0.91 0.00 0.00 0.00 179.25 177.54 1jfm h ASN 53 N 0.34 0.00 -0.13 0.00 4.21 -1.51 -2.98 115.58 115.51 1jfm h ASN 53 Ca -0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1jfm h ASN 53 Cb 1.77 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.96 1jfm h ASN 53 CO 0.21 0.96 0.08 0.00 -1.29 0.00 0.00 177.43 177.40 1jfm h ALA 54 N 1.04 1.92 0.07 -0.83 0.00 -1.39 0.21 119.26 120.29 1jfm h ALA 54 Ca -0.21 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.45 1jfm h ALA 54 Cb 1.92 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.68 1jfm h ALA 54 CO 0.09 0.07 -0.99 1.15 0.00 0.00 0.00 179.25 179.57 1jfm h THR 55 N 0.16 1.35 -0.00 0.00 2.02 -1.25 0.13 112.91 115.31 1jfm h THR 55 Ca 0.05 -2.33 -0.13 0.00 0.77 0.00 0.00 66.41 64.77 1jfm h THR 55 Cb -0.00 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 1jfm h THR 55 CO -0.01 0.70 -0.60 -0.08 0.37 0.00 0.00 175.52 175.90 1jfm h GLU 56 N 0.12 0.01 0.02 6.66 4.81 -1.18 -1.66 114.58 123.36 1jfm h GLU 56 Ca -0.14 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 58.93 1jfm h GLU 56 Cb 1.69 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.08 1jfm h GLU 56 CO 0.19 0.61 -0.61 0.28 -0.73 0.00 0.00 179.01 178.76 1jfm h VAL 57 N 0.01 1.45 -0.01 0.32 2.07 -0.68 -2.42 116.25 116.99 1jfm h VAL 57 Ca -0.01 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1jfm h VAL 57 Cb 1.07 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1jfm h VAL 57 CO 0.08 0.62 0.02 0.50 0.02 0.00 0.00 177.57 178.80 1jfm h LYS 58 N -0.18 0.00 0.00 1.57 3.64 -0.66 -0.23 116.57 120.71 1jfm h LYS 58 Ca -0.08 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.06 1jfm h LYS 58 Cb 1.34 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.13 1jfm h LYS 58 CO 0.12 0.00 -1.22 0.87 -2.27 0.00 0.00 179.45 176.94 1jfm h LYS 59 N 0.00 0.00 0.00 1.90 1.57 -1.12 -2.86 116.57 116.06 1jfm h LYS 59 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1jfm h LYS 59 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1jfm h LYS 59 CO -0.00 0.83 -0.59 0.00 -0.57 0.00 0.00 179.45 179.12 1jfm n LEU 61 N -3.69 2.33 -0.10 0.00 4.77 -0.95 -4.49 117.00 114.86 1jfm n LEU 61 Ca -0.01 0.21 -0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1jfm n LEU 61 Cb 0.62 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1jfm n LEU 61 CO 0.41 0.66 0.13 0.41 -1.33 0.00 0.00 177.39 177.68 1jfm n THR 62 N -3.89 -0.15 0.03 -5.08 -1.04 -1.08 -0.91 114.28 102.16 1jfm n THR 62 Ca -0.44 0.59 -0.06 0.00 -2.04 0.00 0.00 64.05 62.10 1jfm n THR 62 Cb 0.90 -0.76 -0.04 0.00 -1.82 0.00 0.00 70.33 68.61 1jfm n THR 62 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1jfm h GLN 63 N 0.00 -0.18 -1.31 -2.82 1.08 -1.83 -1.26 115.11 108.79 1jfm h GLN 63 Ca 0.07 0.01 0.38 0.00 -1.45 0.00 0.00 58.65 57.66 1jfm h GLN 63 Cb 0.13 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.51 1jfm h GLN 63 CO -0.24 0.08 0.90 -1.35 -0.95 0.00 0.00 178.83 177.27 1jfm h PRO 64 N -1.01 0.12 0.00 1.46 0.11 -1.54 0.57 132.00 131.71 1jfm h PRO 64 Ca -0.02 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1jfm h PRO 64 Cb 0.34 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1jfm h PRO 64 CO 0.03 0.08 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.75 1jfm h LEU 65 N 0.12 0.06 -1.16 2.35 3.38 -1.09 -2.25 115.31 116.72 1jfm h LEU 65 Ca 0.70 -0.80 0.21 0.00 0.09 0.00 0.00 57.88 58.07 1jfm h LEU 65 Cb 2.40 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 43.03 1jfm h LEU 65 CO -0.19 0.86 0.62 0.11 0.09 0.00 0.00 178.44 179.93 1jfm h LYS 66 N -0.72 0.60 -0.12 1.13 1.57 0.12 0.17 116.57 119.32 1jfm h LYS 66 Ca -0.01 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1jfm h LYS 66 Cb 0.87 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1jfm h LYS 66 CO 0.01 0.40 -0.61 -0.91 -0.57 0.00 0.00 179.45 177.78 1jfm h ASN 67 N 0.62 0.47 0.42 0.86 2.35 -0.50 -2.33 115.58 117.47 1jfm h ASN 67 Ca 0.57 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 56.03 1jfm h ASN 67 Cb 1.08 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1jfm h ASN 67 CO -0.33 0.96 -0.20 0.25 -1.65 0.00 0.00 177.43 176.46 1jfm h LEU 68 N 0.31 -0.47 -1.72 1.61 6.46 -0.11 -1.39 115.31 119.99 1jfm h LEU 68 Ca -0.01 -0.09 0.26 0.00 -0.12 0.00 0.00 57.88 57.92 1jfm h LEU 68 Cb 1.14 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 41.13 1jfm h LEU 68 CO 0.10 -0.17 0.67 0.00 -0.62 0.00 0.00 178.44 178.43 1jfm h GLN 70 N 0.20 -0.79 -0.42 0.00 5.75 -0.97 -2.00 115.11 116.88 1jfm h GLN 70 Ca 0.50 0.05 0.08 0.00 -0.15 0.00 0.00 58.65 59.13 1jfm h GLN 70 Cb 1.61 0.18 -0.07 0.00 1.07 0.00 0.00 27.48 30.27 1jfm h GLN 70 CO -0.12 -0.47 -0.02 -0.22 -2.65 0.00 0.00 178.83 175.35 1jfm h LYS 71 N -1.03 0.08 0.00 1.69 3.11 0.37 -0.93 116.57 119.85 1jfm h LYS 71 Ca -0.08 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1jfm h LYS 71 Cb 0.68 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.89 1jfm h LYS 71 CO 0.14 0.05 -0.00 -0.07 -2.81 0.00 0.00 179.45 176.76 1jfm h LEU 72 N 0.08 0.00 0.05 5.20 3.38 0.06 -1.64 115.31 122.44 1jfm h LEU 72 Ca 0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 1jfm h LEU 72 Cb 0.30 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.07 1jfm h LEU 72 CO -0.36 0.00 -0.76 -0.09 0.09 0.00 0.00 178.44 177.32 1jfm h ARG 73 N 0.00 0.42 -0.34 1.13 2.43 -0.38 -2.53 114.38 115.11 1jfm h ARG 73 Ca -0.00 -0.52 -0.13 0.00 -0.81 0.00 0.00 59.98 58.52 1jfm h ARG 73 Cb 0.06 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1jfm h ARG 73 CO 0.00 1.18 -0.28 -0.91 -1.51 0.00 0.00 179.97 178.46 1jfm h ASN 74 N -0.10 0.83 -0.93 -3.80 2.35 -1.50 -2.63 115.58 109.80 1jfm h ASN 74 Ca -0.11 -0.45 0.18 0.00 -0.55 0.00 0.00 56.30 55.37 1jfm h ASN 74 Cb 1.49 -0.23 -0.11 0.00 0.05 0.00 0.00 38.32 39.52 1jfm h ASN 74 CO 0.15 1.11 0.51 0.50 -1.65 0.00 0.00 177.43 178.05 1jfm h LYS 75 N 0.56 0.63 0.00 0.81 1.63 -1.34 0.13 116.57 118.99 1jfm h LYS 75 Ca 0.06 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.63 1jfm h LYS 75 Cb 0.85 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 1jfm h LYS 75 CO 0.07 0.42 -1.16 -0.39 -3.45 0.00 0.00 179.45 174.94 1jfm h VAL 76 N 0.65 0.97 0.00 2.00 -1.51 -1.38 -3.17 116.25 113.81 1jfm h VAL 76 Ca 0.54 -2.57 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 1jfm h VAL 76 Cb 0.85 2.42 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 1jfm h VAL 76 CO -0.40 0.55 -0.08 -1.20 -1.23 0.00 0.00 177.57 175.21 1jfm n SER 77 N -3.12 0.16 -1.02 4.19 7.64 -0.80 -3.01 113.62 117.65 1jfm n SER 77 Ca -0.06 0.40 0.08 0.00 1.01 0.00 0.00 58.87 60.30 1jfm n SER 77 Cb 0.89 -0.42 0.25 0.00 -1.01 0.00 0.00 64.21 63.92 1jfm n SER 77 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jfm n ASN 78 N -1.59 3.70 -4.77 6.43 3.02 0.39 -4.99 115.26 117.46 1jfm n ASN 78 Ca 0.07 -2.29 -0.36 0.00 -0.03 0.00 0.00 54.58 51.97 1jfm n ASN 78 Cb 0.35 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 39.03 1jfm n ASN 78 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jfm s THR 79 N -1.53 5.00 -0.36 3.41 2.01 -1.17 -4.99 115.64 118.01 1jfm s THR 79 Ca 0.37 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.34 1jfm s THR 79 Cb 0.23 -3.17 -0.15 0.00 0.01 0.00 0.00 72.50 69.42 1jfm s THR 79 CO 0.19 0.58 2.61 0.29 -0.69 0.00 0.00 174.62 177.61 1jfm n LYS 80 N 2.37 1.80 -2.02 4.92 5.02 -1.26 -4.90 118.16 124.08 1jfm n LYS 80 Ca -0.19 -1.02 -0.41 0.00 -2.02 0.00 0.00 58.31 54.67 1jfm n LYS 80 Cb 0.54 -2.08 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 1jfm n LYS 80 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jfm s VAL 81 N 2.03 2.70 0.44 -0.18 -7.23 -1.26 -4.99 120.40 111.91 1jfm s VAL 81 Ca 0.48 0.58 0.04 0.00 -1.81 0.00 0.00 61.98 61.27 1jfm s VAL 81 Cb 0.20 -3.37 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1jfm s VAL 81 CO -0.01 0.09 0.03 -1.81 -0.31 0.00 0.00 175.10 173.09 1jfm s ASP 82 N 0.43 3.59 -0.50 4.85 1.01 -1.26 -4.81 116.67 119.98 1jfm s ASP 82 Ca 0.60 -1.53 -0.00 0.00 0.71 0.00 0.00 52.55 52.33 1jfm s ASP 82 Cb -0.42 0.15 -0.00 0.00 1.01 0.00 0.00 42.92 43.66 1jfm s ASP 82 CO 0.42 -0.71 0.47 0.41 0.21 0.00 0.00 175.17 175.97 1jfm n THR 83 N -1.04 -7.07 -2.57 -1.27 -1.04 -1.26 -4.97 114.28 95.06 1jfm n THR 83 Ca -0.10 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 1jfm n THR 83 Cb 0.67 -5.76 -0.03 0.00 -1.82 0.00 0.00 70.33 63.38 1jfm n THR 83 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1jfm s HIS 84 N -3.01 3.42 -0.68 -1.42 3.76 -1.26 -4.83 115.29 111.26 1jfm s HIS 84 Ca 0.02 1.44 0.16 0.00 -0.15 0.00 0.00 55.06 56.53 1jfm s HIS 84 Cb -0.00 -3.29 0.76 0.00 1.11 0.00 0.00 32.58 31.16 1jfm s HIS 84 CO 0.50 -0.72 1.68 1.17 -0.85 0.00 0.00 174.74 176.51 1jfm n LYS 85 N 4.68 4.25 -3.69 1.40 3.00 -1.26 -4.91 118.16 121.62 1jfm n LYS 85 Ca 0.09 -3.02 -0.24 0.00 -0.00 0.00 0.00 58.31 55.14 1jfm n LYS 85 Cb 0.48 -2.06 0.06 0.00 0.00 0.00 0.00 35.03 33.50 1jfm n LYS 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1jfm n THR 86 N 0.82 -3.51 0.24 3.15 -2.24 -1.26 -4.92 114.28 106.55 1jfm n THR 86 Ca 0.27 -0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 1jfm n THR 86 Cb 1.03 -3.78 0.29 0.00 -2.10 0.00 0.00 70.33 65.77 1jfm n THR 86 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1jfm h ASN 87 N -2.22 0.00 0.00 3.42 2.35 -1.97 -3.45 115.58 113.71 1jfm h ASN 87 Ca -0.58 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1jfm h ASN 87 Cb 1.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1jfm h ASN 87 CO 0.58 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.97 1jfm n GLY 88 N -1.31 2.02 2.94 2.83 0.00 -1.26 -4.70 105.19 105.72 1jfm n GLY 88 Ca -0.01 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1jfm n GLY 88 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfm s TYR 89 N 0.00 -0.22 0.81 1.61 -0.85 -1.26 -5.01 117.35 112.42 1jfm s TYR 89 Ca 0.00 0.61 -0.14 0.00 -0.52 0.00 0.00 57.07 57.02 1jfm s TYR 89 Cb 0.00 -0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.27 1jfm s TYR 89 CO 0.00 -0.22 0.69 -0.35 -1.52 0.00 0.00 175.55 174.15 1jfm n PRO 90 N 4.53 0.11 -2.74 -3.49 -0.04 -1.26 -4.62 135.00 127.48 1jfm n PRO 90 Ca -0.20 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 1jfm n PRO 90 Cb 0.51 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1jfm n PRO 90 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1jfm s HIS 91 N -2.10 3.17 -0.09 0.54 5.65 -1.26 -4.81 115.29 116.38 1jfm s HIS 91 Ca 0.65 1.06 -0.04 0.00 0.25 0.00 0.00 55.06 56.98 1jfm s HIS 91 Cb -0.29 -3.54 -0.04 0.00 -1.18 0.00 0.00 32.58 27.53 1jfm s HIS 91 CO 0.58 -0.70 0.07 -1.17 -0.65 0.00 0.00 174.74 172.87 1jfm s LEU 92 N 3.42 3.96 -0.16 8.88 2.96 -0.21 0.62 118.68 138.15 1jfm s LEU 92 Ca 0.41 0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 54.58 1jfm s LEU 92 Cb -0.13 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.64 1jfm s LEU 92 CO 0.14 0.38 0.03 -1.58 -1.32 0.00 0.00 176.35 174.00 1jfm s GLN 93 N -1.04 0.65 0.17 1.98 2.00 -0.93 -0.41 119.66 122.08 1jfm s GLN 93 Ca 0.15 -0.27 0.06 0.00 -2.00 0.00 0.00 55.36 53.31 1jfm s GLN 93 Cb -0.12 -1.79 -0.04 0.00 0.80 0.00 0.00 33.01 31.86 1jfm s GLN 93 CO 0.04 -0.54 0.05 0.08 -0.50 0.00 0.00 175.29 174.42 1jfm s VAL 94 N 1.89 4.00 -0.04 1.34 1.01 0.13 -1.73 120.40 126.99 1jfm s VAL 94 Ca 0.01 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 1jfm s VAL 94 Cb -0.16 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1jfm s VAL 94 CO -0.07 -0.10 0.07 -0.89 0.00 0.00 0.00 175.10 174.11 1jfm s THR 95 N -1.72 -0.11 -0.14 3.92 2.01 -0.03 -0.98 115.64 118.59 1jfm s THR 95 Ca 0.29 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.58 1jfm s THR 95 Cb -0.10 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 1jfm s THR 95 CO 0.20 0.13 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.86 1jfm s MET 96 N 1.70 3.53 -0.22 4.92 1.75 -0.75 0.29 119.30 130.52 1jfm s MET 96 Ca -0.02 -0.60 0.02 0.00 -1.25 0.00 0.00 55.69 53.84 1jfm s MET 96 Cb -0.12 -2.78 0.05 0.00 2.84 0.00 0.00 34.83 34.81 1jfm s MET 96 CO -0.04 0.23 -0.11 0.42 -0.65 0.00 0.00 175.02 174.87 1jfm s ILE 97 N 0.36 1.85 -0.21 10.11 1.01 -0.05 -1.57 121.20 132.71 1jfm s ILE 97 Ca -0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.31 1jfm s ILE 97 Cb -0.15 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1jfm s ILE 97 CO 0.04 0.10 -0.13 -0.47 0.00 0.00 0.00 174.94 174.48 1jfm s TYR 98 N 1.28 2.92 -0.12 3.97 5.04 0.27 -2.46 117.35 128.25 1jfm s TYR 98 Ca -0.04 -1.51 -0.09 0.00 -2.44 0.00 0.00 57.07 52.99 1jfm s TYR 98 Cb -0.18 -1.99 -0.04 0.00 0.35 0.00 0.00 41.96 40.10 1jfm s TYR 98 CO -0.07 -0.74 0.19 -1.25 -1.34 0.00 0.00 175.55 172.34 1jfm s PRO 99 N 1.33 3.70 -0.26 4.97 0.05 -1.26 0.94 135.00 144.47 1jfm s PRO 99 Ca 0.03 -0.04 -0.40 0.00 0.05 0.00 0.00 61.00 60.64 1jfm s PRO 99 Cb -0.15 -3.25 -0.15 0.00 0.05 0.00 0.00 34.50 31.00 1jfm s PRO 99 CO -0.08 0.64 1.76 0.94 0.05 0.00 0.00 177.00 180.31 1jfm n GLN 100 N 2.34 1.25 0.32 4.56 7.27 -1.26 -4.78 117.38 127.08 1jfm n GLN 100 Ca -0.18 0.46 0.22 0.00 0.07 0.00 0.00 57.00 57.57 1jfm n GLN 100 Cb 0.54 -2.16 1.14 0.00 2.41 0.00 0.00 30.24 32.17 1jfm n GLN 100 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1jfm h SER 101 N 7.40 0.00 -5.63 1.69 4.64 -1.93 -3.46 113.55 116.26 1jfm h SER 101 Ca -0.47 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.47 1jfm h SER 101 Cb 1.31 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.17 1jfm h SER 101 CO 0.96 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 176.36 1jfm n GLN 102 N -3.00 -0.93 0.00 4.77 6.02 -1.26 0.82 117.38 123.80 1jfm n GLN 102 Ca -0.03 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1jfm n GLN 102 Cb 0.08 -3.13 0.00 0.00 1.02 0.00 0.00 30.24 28.22 1jfm n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jfm n GLY 103 N -0.83 1.78 3.78 1.08 0.00 -1.26 -5.08 105.19 104.66 1jfm n GLY 103 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1jfm n GLY 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfm s ARG 104 N -0.00 0.46 -0.13 1.61 3.00 0.24 -4.96 118.95 119.17 1jfm s ARG 104 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 55.73 55.46 1jfm s ARG 104 Cb 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 34.95 33.15 1jfm s ARG 104 CO 0.00 -2.61 1.17 0.99 0.00 0.00 0.00 175.30 174.85 1jfm s THR 105 N -3.37 4.41 -0.06 0.02 2.01 -1.26 -4.82 115.64 112.56 1jfm s THR 105 Ca 0.68 1.71 -0.38 0.00 0.31 0.00 0.00 61.69 64.01 1jfm s THR 105 Cb -0.11 -4.10 -0.16 0.00 0.01 0.00 0.00 72.50 68.14 1jfm s THR 105 CO 0.54 -0.07 1.54 -2.65 -0.69 0.00 0.00 174.62 173.29 1jfm n PRO 106 N 5.81 1.26 -3.74 4.92 -0.02 -1.26 -4.94 135.00 137.03 1jfm n PRO 106 Ca 0.12 0.46 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1jfm n PRO 106 Cb 0.46 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 1jfm n PRO 106 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jfm s SER 107 N 1.91 -0.19 0.34 2.55 1.04 -1.26 -4.82 113.70 113.28 1jfm s SER 107 Ca 0.90 -0.00 0.06 0.00 0.48 0.00 0.00 55.95 57.39 1jfm s SER 107 Cb -0.97 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 1jfm s SER 107 CO 0.54 -0.53 0.23 0.00 0.98 0.00 0.00 173.24 174.46 1jfm n ALA 108 N 0.95 0.65 -3.70 5.32 0.00 -1.26 -4.41 120.51 118.05 1jfm n ALA 108 Ca -0.20 -1.91 -0.16 0.00 0.00 0.00 0.00 53.44 51.17 1jfm n ALA 108 Cb 0.58 1.46 -0.16 0.00 0.00 0.00 0.00 19.45 21.32 1jfm n ALA 108 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jfm s THR 109 N -3.21 0.07 -0.15 0.00 -4.23 -1.03 -1.57 115.64 105.51 1jfm s THR 109 Ca 0.32 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1jfm s THR 109 Cb 0.02 -0.18 -0.03 0.00 1.34 0.00 0.00 72.50 73.65 1jfm s THR 109 CO 0.23 0.11 -0.03 0.26 -0.54 0.00 0.00 174.62 174.65 1jfm s TRP 110 N 0.99 3.04 -0.15 3.99 0.52 0.01 -0.87 118.94 126.47 1jfm s TRP 110 Ca -0.09 -0.26 0.01 0.00 0.02 0.00 0.00 56.10 55.79 1jfm s TRP 110 Cb -0.13 -1.95 0.02 0.00 -1.15 0.00 0.00 33.47 30.26 1jfm s TRP 110 CO -0.02 0.00 -0.19 -1.21 0.02 0.00 0.00 176.95 175.55 1jfm s GLU 111 N 0.29 2.80 -0.12 4.98 2.02 0.15 -0.36 118.70 128.46 1jfm s GLU 111 Ca -0.03 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.14 1jfm s GLU 111 Cb -0.14 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1jfm s GLU 111 CO 0.03 -0.14 0.11 -0.06 0.02 0.00 0.00 175.26 175.22 1jfm s PHE 112 N 1.15 3.49 -0.38 1.61 0.40 -0.41 -0.85 117.98 122.99 1jfm s PHE 112 Ca 0.00 0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.78 1jfm s PHE 112 Cb -0.14 -1.92 0.14 0.00 0.51 0.00 0.00 43.02 41.61 1jfm s PHE 112 CO -0.08 0.65 0.22 1.21 0.70 0.00 0.00 175.22 177.93 1jfm s ASN 113 N -0.91 3.07 -0.22 1.36 3.84 -0.71 -2.65 114.94 118.73 1jfm s ASN 113 Ca 0.14 -2.34 -0.27 0.00 0.21 0.00 0.00 52.86 50.60 1jfm s ASN 113 Cb -0.12 -0.56 -0.00 0.00 -0.55 0.00 0.00 41.25 40.02 1jfm s ASN 113 CO 0.03 -0.29 0.93 -0.63 -2.79 0.00 0.00 177.10 174.35 1jfm s ILE 114 N 0.84 4.78 -0.32 -5.21 1.01 -0.58 -2.18 121.20 119.53 1jfm s ILE 114 Ca 0.19 1.80 -0.02 0.00 0.00 0.00 0.00 60.65 62.62 1jfm s ILE 114 Cb -0.22 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.05 1jfm s ILE 114 CO -0.00 -0.10 0.05 -1.20 0.00 0.00 0.00 174.94 173.69 1jfm n SER 115 N 5.94 -1.62 0.00 3.58 7.64 0.20 -0.86 113.62 128.50 1jfm n SER 115 Ca 0.08 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1jfm n SER 115 Cb 0.47 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1jfm n SER 115 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jfm n ASP 116 N -1.63 -2.31 -0.13 6.43 9.92 -1.26 -4.74 116.55 122.83 1jfm n ASP 116 Ca -0.02 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.96 1jfm n ASP 116 Cb 0.52 -2.84 -0.10 0.00 -0.64 0.00 0.00 41.12 38.06 1jfm n ASP 116 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jfm n SER 117 N -0.38 1.95 -4.85 -2.24 7.64 -0.04 -4.98 113.62 110.71 1jfm n SER 117 Ca 0.00 0.35 -0.31 0.00 1.01 0.00 0.00 58.87 59.92 1jfm n SER 117 Cb 0.19 -0.83 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 1jfm n SER 117 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1jfm s TYR 118 N -2.52 3.38 -0.17 1.43 1.51 -0.93 -4.97 117.35 115.09 1jfm s TYR 118 Ca -0.37 0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 55.81 1jfm s TYR 118 Cb 0.13 -1.72 0.07 0.00 -0.11 0.00 0.00 41.96 40.33 1jfm s TYR 118 CO 0.50 0.57 0.38 -0.06 -1.11 0.00 0.00 175.55 175.82 1jfm s PHE 119 N -1.41 -0.60 0.15 2.71 0.08 -1.26 -1.53 117.98 116.11 1jfm s PHE 119 Ca 0.31 1.26 -0.05 0.00 0.12 0.00 0.00 56.93 58.57 1jfm s PHE 119 Cb -0.13 0.22 -0.02 0.00 -0.57 0.00 0.00 43.02 42.52 1jfm s PHE 119 CO 0.23 -0.36 0.16 -0.59 -0.10 0.00 0.00 175.22 174.56 1jfm s PHE 120 N 1.75 0.63 0.03 0.36 -0.71 -1.08 -2.43 117.98 116.53 1jfm s PHE 120 Ca -0.07 -1.01 0.02 0.00 -1.04 0.00 0.00 56.93 54.83 1jfm s PHE 120 Cb -0.10 -0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 1jfm s PHE 120 CO -0.12 -0.61 -0.07 0.99 -1.34 0.00 0.00 175.22 174.07 1jfm s THR 121 N -4.01 0.47 -0.07 -4.49 2.01 0.45 -1.28 115.64 108.73 1jfm s THR 121 Ca 0.21 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1jfm s THR 121 Cb 0.05 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1jfm s THR 121 CO 0.01 -0.32 -0.20 0.12 -0.69 0.00 0.00 174.62 173.54 1jfm s PHE 122 N -1.20 2.58 -0.32 4.92 5.99 0.51 -1.38 117.98 129.08 1jfm s PHE 122 Ca -0.09 -0.52 0.01 0.00 0.00 0.00 0.00 56.93 56.34 1jfm s PHE 122 Cb -0.09 -1.65 0.08 0.00 0.00 0.00 0.00 43.02 41.36 1jfm s PHE 122 CO 0.00 -0.08 0.03 0.71 -0.00 0.00 0.00 175.22 175.88 1jfm s TYR 123 N -0.27 3.51 0.49 10.12 1.51 -0.50 -0.81 117.35 131.40 1jfm s TYR 123 Ca 0.00 -2.50 0.16 0.00 -1.01 0.00 0.00 57.07 53.73 1jfm s TYR 123 Cb -0.13 -2.56 1.19 0.00 -0.11 0.00 0.00 41.96 40.35 1jfm s TYR 123 CO 0.03 -0.91 2.07 1.79 -1.11 0.00 0.00 175.55 177.42 1jfm h THR 124 N 6.58 0.94 0.00 -0.71 1.35 -1.61 0.47 112.91 119.93 1jfm h THR 124 Ca -0.13 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1jfm h THR 124 Cb 1.04 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1jfm h THR 124 CO 0.54 0.03 0.00 1.21 -0.25 0.00 0.00 175.52 177.05 1jfm n GLU 125 N -4.48 0.00 -0.17 4.72 2.13 -1.26 -2.69 120.64 118.88 1jfm n GLU 125 Ca 0.03 0.50 0.08 0.00 0.66 0.00 0.00 57.16 58.42 1jfm n GLU 125 Cb 0.25 -1.27 0.23 0.00 0.27 0.00 0.00 31.44 30.92 1jfm n GLU 125 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1jfm n ASN 126 N -1.65 2.07 -3.88 4.31 6.94 -1.22 -4.93 115.26 116.89 1jfm n ASN 126 Ca 0.00 -1.93 -0.31 0.00 -0.02 0.00 0.00 54.58 52.32 1jfm n ASN 126 Cb 0.00 -0.23 0.01 0.00 -2.36 0.00 0.00 39.78 37.20 1jfm n ASN 126 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1jfm n MET 127 N 0.61 -1.93 -4.17 -3.83 2.81 0.16 -4.96 117.12 105.82 1jfm n MET 127 Ca 0.14 0.36 -0.29 0.00 -1.81 0.00 0.00 57.70 56.10 1jfm n MET 127 Cb 0.34 -4.04 -0.08 0.00 -0.71 0.00 0.00 33.22 28.73 1jfm n MET 127 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jfm s SER 128 N -3.90 4.82 -0.01 7.83 1.04 -0.97 -4.91 113.70 117.59 1jfm s SER 128 Ca 0.26 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.47 1jfm s SER 128 Cb -0.11 -1.07 -0.03 0.00 0.10 0.00 0.00 66.02 64.91 1jfm s SER 128 CO 0.90 0.16 -0.15 0.26 0.98 0.00 0.00 173.24 175.39 1jfm s TRP 129 N -1.36 2.66 -0.06 5.02 0.52 -1.26 -1.41 118.94 123.05 1jfm s TRP 129 Ca 0.25 -0.19 -0.00 0.00 0.02 0.00 0.00 56.10 56.18 1jfm s TRP 129 Cb -0.11 -1.56 0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1jfm s TRP 129 CO 0.17 0.23 -0.02 0.50 0.02 0.00 0.00 176.95 177.85 1jfm s ARG 130 N -1.07 0.73 0.23 4.98 3.52 -0.48 -4.96 118.95 121.90 1jfm s ARG 130 Ca 0.13 -0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.79 1jfm s ARG 130 Cb -0.11 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.35 1jfm s ARG 130 CO 0.03 -0.19 0.14 -1.54 -0.81 0.00 0.00 175.30 172.93 1jfm s SER 131 N 1.40 5.32 -0.18 -2.12 1.04 -1.26 -0.41 113.70 117.50 1jfm s SER 131 Ca -0.04 -0.29 -0.24 0.00 0.48 0.00 0.00 55.95 55.87 1jfm s SER 131 Cb -0.13 -1.30 -0.22 0.00 0.10 0.00 0.00 66.02 64.46 1jfm s SER 131 CO -0.03 0.00 0.43 0.00 0.98 0.00 0.00 173.24 174.63 1jfm h ALA 132 N 1.85 0.17 -3.94 5.32 0.00 -1.86 -3.48 119.26 117.31 1jfm h ALA 132 Ca -0.48 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.47 1jfm h ALA 132 Cb 1.23 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1jfm h ALA 132 CO 0.61 0.48 0.00 0.09 0.00 0.00 0.00 179.25 180.43 1jfm n ASN 133 N -4.44 0.93 -0.00 0.00 3.02 -1.26 -5.00 115.26 108.51 1jfm n ASN 133 Ca -0.24 -0.94 0.05 0.00 -0.03 0.00 0.00 54.58 53.42 1jfm n ASN 133 Cb 0.64 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.74 1jfm n ASN 133 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jfm n ASP 134 N -1.94 0.56 0.10 6.41 9.92 -1.26 -2.95 116.55 127.40 1jfm n ASP 134 Ca 0.00 -0.74 -0.01 0.00 -0.53 0.00 0.00 54.79 53.51 1jfm n ASP 134 Cb 0.00 1.01 -0.04 0.00 -0.64 0.00 0.00 41.12 41.46 1jfm n ASP 134 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1jfm h GLU 135 N 0.00 0.00 0.15 -1.24 4.39 -2.00 -2.92 114.58 112.96 1jfm h GLU 135 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1jfm h GLU 135 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1jfm h GLU 135 CO 0.00 0.62 -1.61 0.77 -1.16 0.00 0.00 179.01 177.63 1jfm h SER 136 N 0.00 0.49 -0.40 1.42 0.02 -1.90 -3.33 113.55 109.85 1jfm h SER 136 Ca -0.04 -0.90 0.12 0.00 -0.84 0.00 0.00 61.79 60.13 1jfm h SER 136 Cb 1.55 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.91 1jfm h SER 136 CO 0.08 1.72 0.42 1.23 -1.14 0.00 0.00 176.83 179.14 1jfm h GLY 137 N 0.41 0.00 0.61 -3.77 0.00 -1.54 -1.22 103.07 97.56 1jfm h GLY 137 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1jfm h GLY 137 CO 0.11 0.00 -0.19 -2.08 0.00 0.00 0.00 176.54 174.39 1jfm h VAL 138 N 0.00 0.49 0.26 4.60 2.07 -1.61 -1.55 116.25 120.50 1jfm h VAL 138 Ca 0.19 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1jfm h VAL 138 Cb 1.03 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1jfm h VAL 138 CO -0.00 0.09 -0.43 0.40 0.02 0.00 0.00 177.57 177.65 1jfm h ILE 139 N -0.91 0.14 -0.90 4.57 2.04 -1.55 -2.46 117.51 118.44 1jfm h ILE 139 Ca -0.05 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.06 1jfm h ILE 139 Cb 0.55 0.14 -0.14 0.00 -0.74 0.00 0.00 36.82 36.63 1jfm h ILE 139 CO 0.09 0.00 0.27 -0.03 0.00 0.00 0.00 178.15 178.48 1jfm h MET 140 N -0.76 0.20 0.00 2.37 4.05 -1.30 0.25 114.93 119.74 1jfm h MET 140 Ca -0.01 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1jfm h MET 140 Cb 0.72 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 1jfm h MET 140 CO -0.16 0.13 -0.22 -0.91 0.23 0.00 0.00 176.91 175.98 1jfm h ASN 141 N 0.21 0.00 0.04 1.39 2.35 -0.81 0.21 115.58 118.97 1jfm h ASN 141 Ca 0.58 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.33 1jfm h ASN 141 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1jfm h ASN 141 CO -0.66 0.22 -0.02 0.11 -1.65 0.00 0.00 177.43 175.43 1jfm h LYS 142 N 0.00 -0.05 -0.46 0.81 1.57 -0.34 -3.22 116.57 114.88 1jfm h LYS 142 Ca -0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1jfm h LYS 142 Cb 0.45 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1jfm h LYS 142 CO 0.03 0.55 0.10 -1.49 -0.57 0.00 0.00 179.45 178.06 1jfm h TRP 143 N -0.93 0.16 0.00 -1.35 4.06 -0.82 0.32 115.95 117.39 1jfm h TRP 143 Ca -0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1jfm h TRP 143 Cb 0.63 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.79 1jfm h TRP 143 CO 0.16 0.01 0.00 0.36 -3.56 0.00 0.00 178.44 175.41 1jfm n LYS 144 N -5.10 0.18 0.09 0.49 2.85 0.71 -1.50 118.16 115.88 1jfm n LYS 144 Ca 0.04 0.15 0.12 0.00 -1.05 0.00 0.00 58.31 57.57 1jfm n LYS 144 Cb 0.22 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.19 1jfm n LYS 144 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1jfm h ASP 145 N 0.00 0.00 -1.24 -5.58 3.58 -0.93 -3.42 116.42 108.83 1jfm h ASP 145 Ca 0.00 -0.10 -0.59 0.00 0.42 0.00 0.00 57.03 56.76 1jfm h ASP 145 Cb 0.07 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 41.02 1jfm h ASP 145 CO 0.00 0.05 1.44 -0.62 -2.88 0.00 0.00 179.24 177.24 1jfm s ASP 146 N -4.89 6.44 0.57 2.28 3.68 -0.57 -4.85 116.67 119.34 1jfm s ASP 146 Ca 0.03 -1.33 0.27 0.00 2.13 0.00 0.00 52.55 53.65 1jfm s ASP 146 Cb 0.11 -2.57 1.52 0.00 -1.45 0.00 0.00 42.92 40.53 1jfm s ASP 146 CO 0.75 -1.56 2.03 1.23 0.13 0.00 0.00 175.17 177.74 1jfm h GLY 147 N 12.90 0.00 1.55 2.66 0.00 -1.86 -0.16 103.07 118.15 1jfm h GLY 147 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.31 1jfm h GLY 147 CO 1.41 0.00 -0.62 0.83 0.00 0.00 0.00 176.54 178.16 1jfm h GLU 148 N 0.00 0.46 -0.01 4.80 4.39 -1.97 -2.48 114.58 119.78 1jfm h GLU 148 Ca 0.16 -0.32 -0.15 0.00 0.34 0.00 0.00 59.36 59.39 1jfm h GLU 148 Cb 0.77 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1jfm h GLU 148 CO -0.00 0.94 -0.69 0.35 -1.16 0.00 0.00 179.01 178.44 1jfm h PHE 149 N 0.34 0.06 0.04 4.33 3.04 -1.40 -3.10 116.94 120.25 1jfm h PHE 149 Ca -0.01 -0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.69 1jfm h PHE 149 Cb 1.17 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.65 1jfm h PHE 149 CO 0.04 0.72 -1.05 0.28 -2.02 0.00 0.00 178.31 176.28 1jfm h VAL 150 N 0.03 1.63 -0.44 1.41 2.07 -1.34 -3.15 116.25 116.47 1jfm h VAL 150 Ca -0.01 -3.21 -0.10 0.00 0.82 0.00 0.00 66.70 64.20 1jfm h VAL 150 Cb 1.23 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.81 1jfm h VAL 150 CO 0.09 0.93 -0.12 0.11 0.02 0.00 0.00 177.57 178.60 1jfm h LYS 151 N 0.03 0.80 -0.37 1.57 1.57 -1.47 -2.61 116.57 116.09 1jfm h LYS 151 Ca -0.05 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1jfm h LYS 151 Cb 1.79 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.99 1jfm h LYS 151 CO 0.15 0.88 0.11 1.96 -0.57 0.00 0.00 179.45 181.99 1jfm h GLN 152 N 0.72 0.25 -0.49 3.15 4.20 -1.55 0.27 115.11 121.66 1jfm h GLN 152 Ca 0.12 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1jfm h GLN 152 Cb 0.61 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1jfm h GLN 152 CO 0.04 0.16 0.09 -0.07 -0.67 0.00 0.00 178.83 178.38 1jfm h LEU 153 N 0.26 0.77 0.02 1.46 3.38 -1.48 -0.45 115.31 119.25 1jfm h LEU 153 Ca 0.17 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jfm h LEU 153 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jfm h LEU 153 CO -0.19 0.82 -0.01 0.11 0.09 0.00 0.00 178.44 179.27 1jfm h LYS 154 N 0.68 -0.02 -0.11 1.13 1.57 -1.23 -3.31 116.57 115.27 1jfm h LYS 154 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1jfm h LYS 154 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1jfm h LYS 154 CO 0.01 0.42 0.04 0.35 -0.57 0.00 0.00 179.45 179.69 1jfm h PHE 155 N -0.46 0.18 -0.99 -1.35 3.04 -0.47 -0.93 116.94 115.95 1jfm h PHE 155 Ca -0.00 -0.02 0.34 0.00 3.98 0.00 0.00 57.97 62.27 1jfm h PHE 155 Cb 0.45 -0.05 -0.18 0.00 2.56 0.00 0.00 35.95 38.72 1jfm h PHE 155 CO 0.08 0.31 0.26 -0.11 -2.02 0.00 0.00 178.31 176.83 1jfm n LEU 156 N -4.88 0.10 0.12 0.59 -0.00 -0.18 0.10 117.00 112.85 1jfm n LEU 156 Ca -0.06 1.66 -0.06 0.00 -0.00 0.00 0.00 56.01 57.56 1jfm n LEU 156 Cb 0.14 -0.70 -0.03 0.00 -0.00 0.00 0.00 43.42 42.83 1jfm n LEU 156 CO 0.34 -1.77 0.18 0.40 -0.00 0.00 0.00 177.39 176.55 1jfm h ILE 157 N 0.00 0.00 -0.94 1.96 1.08 -1.54 -2.39 117.51 115.68 1jfm h ILE 157 Ca 0.71 -0.52 0.28 0.00 -0.39 0.00 0.00 64.86 64.94 1jfm h ILE 157 Cb 1.70 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 35.28 1jfm h ILE 157 CO -0.85 0.00 0.23 -0.74 -0.69 0.00 0.00 178.15 176.09 1jfm h HIS 158 N -0.89 0.31 0.00 1.37 -0.00 0.18 0.53 115.15 116.66 1jfm h HIS 158 Ca -0.04 0.06 -0.14 0.00 -0.00 0.00 0.00 60.37 60.25 1jfm h HIS 158 Cb 0.29 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 1jfm h HIS 158 CO 0.02 -0.33 -0.66 1.49 -0.00 0.00 0.00 177.93 178.44 1jfm h GLU 159 N 0.11 0.00 -0.13 5.26 4.81 -0.42 -3.26 114.58 120.95 1jfm h GLU 159 Ca 0.63 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 1jfm h GLU 159 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1jfm h GLU 159 CO -0.77 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 178.17 1jfm h SER 161 N 2.14 -0.77 -0.13 0.00 0.87 -0.02 -0.53 113.55 115.11 1jfm h SER 161 Ca 0.00 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1jfm h SER 161 Cb 0.56 0.32 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1jfm h SER 161 CO 0.00 -0.15 -0.24 1.56 -0.53 0.00 0.00 176.83 177.47 1jfm h GLN 162 N -0.13 -0.20 -0.81 2.24 4.20 -1.84 -1.76 115.11 116.81 1jfm h GLN 162 Ca 0.04 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.96 1jfm h GLN 162 Cb 0.22 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1jfm h GLN 162 CO -0.26 -0.13 0.56 0.87 -0.67 0.00 0.00 178.83 179.19 1jfm h LYS 163 N -0.20 0.21 -0.26 1.46 1.57 -1.86 -0.46 116.57 117.03 1jfm h LYS 163 Ca 0.02 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1jfm h LYS 163 Cb 0.27 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1jfm h LYS 163 CO -0.23 0.14 -0.45 0.52 -0.57 0.00 0.00 179.45 178.87 1jfm h MET 164 N 0.22 0.76 0.36 3.15 2.86 -0.45 -2.35 114.93 119.49 1jfm h MET 164 Ca 0.40 -0.47 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1jfm h MET 164 Cb 1.24 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1jfm h MET 164 CO -0.09 1.10 -0.17 -0.44 1.06 0.00 0.00 176.91 178.37 1jfm h ASP 165 N 0.51 -0.41 -0.80 1.22 3.32 -0.29 -1.77 116.42 118.20 1jfm h ASP 165 Ca 0.02 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.16 1jfm h ASP 165 Cb 1.05 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 1jfm h ASP 165 CO 0.10 -0.28 -0.51 -0.33 -1.72 0.00 0.00 179.24 176.50 1jfm h GLU 166 N -0.50 -0.12 -0.02 3.56 5.08 -1.19 0.83 114.58 122.22 1jfm h GLU 166 Ca -0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1jfm h GLU 166 Cb 0.38 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1jfm h GLU 166 CO 0.08 -0.08 0.02 0.35 -1.00 0.00 0.00 179.01 178.38 1jfm h PHE 167 N -0.12 0.00 0.08 4.33 3.57 -1.28 -2.10 116.94 121.42 1jfm h PHE 167 Ca 0.18 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.43 1jfm h PHE 167 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1jfm h PHE 167 CO -0.87 0.00 -1.12 -0.07 -2.23 0.00 0.00 178.31 174.02 1jfm h LEU 168 N 0.00 0.42 -0.02 0.59 3.38 0.13 -2.48 115.31 117.33 1jfm h LEU 168 Ca 0.01 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1jfm h LEU 168 Cb 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1jfm h LEU 168 CO -0.00 1.27 -0.20 0.50 0.09 0.00 0.00 178.44 180.11 1jfm h LYS 169 N 0.11 -0.29 -0.62 1.13 3.64 0.51 -2.35 116.57 118.69 1jfm h LYS 169 Ca -0.11 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1jfm h LYS 169 Cb 1.81 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.69 1jfm h LYS 169 CO 0.18 -0.20 0.02 0.00 -2.27 0.00 0.00 179.45 177.19 1jfm n GLN 170 N -5.33 4.62 0.08 1.90 0.00 -1.20 -4.15 117.38 113.29 1jfm n GLN 170 Ca -0.05 -2.98 0.13 0.00 0.00 0.00 0.00 57.00 54.11 1jfm n GLN 170 Cb 0.24 -2.23 0.46 0.00 0.00 0.00 0.00 30.24 28.71 1jfm n GLN 170 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1jfm n SER 171 N 0.53 0.60 -0.00 2.61 2.88 -0.89 -3.31 113.62 116.05 1jfm n SER 171 Ca 0.27 0.57 0.04 0.00 -1.33 0.00 0.00 58.87 58.42 1jfm n SER 171 Cb 1.17 -0.72 -0.05 0.00 -0.75 0.00 0.00 64.21 63.85 1jfm n SER 171 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jfm n LYS 172 N -2.07 2.27 0.00 -1.46 4.76 -1.26 -4.54 118.16 115.86 1jfm n LYS 172 Ca 0.05 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1jfm n LYS 172 Cb 0.38 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.54 1jfm n LYS 172 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1jfm n GLU 173 N -1.49 0.73 0.00 1.97 1.02 -1.21 -5.21 120.64 116.45 1jfm n GLU 173 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jfm n GLU 173 Cb 0.16 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1jfm n GLU 173 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94