#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfr s GLU 9 N 0.00 2.61 -0.35 5.55 2.02 0.39 -4.92 118.70 124.00 1sfr s GLU 9 Ca 0.00 -1.09 0.15 0.00 0.02 0.00 0.00 54.97 54.04 1sfr s GLU 9 Cb 0.00 -2.62 0.45 0.00 0.10 0.00 0.00 34.13 32.06 1sfr s GLU 9 CO 0.00 -0.56 1.00 0.98 0.02 0.00 0.00 175.26 176.70 1sfr n TYR 10 N -2.13 1.76 -1.57 1.61 9.36 -1.26 -1.76 117.16 123.17 1sfr n TYR 10 Ca 0.09 -2.85 -0.35 0.00 3.32 0.00 0.00 57.90 58.11 1sfr n TYR 10 Cb 0.60 -0.30 0.08 0.00 -0.63 0.00 0.00 39.34 39.09 1sfr n TYR 10 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 1sfr s LEU 11 N -3.25 3.39 -0.23 2.98 0.05 -1.12 -4.72 118.68 115.79 1sfr s LEU 11 Ca 0.33 2.35 -0.06 0.00 0.05 0.00 0.00 54.13 56.79 1sfr s LEU 11 Cb 0.44 -4.59 -0.03 0.00 -2.05 0.00 0.00 46.19 39.97 1sfr s LEU 11 CO -0.02 -2.09 0.04 -1.10 -0.55 0.00 0.00 176.35 172.62 1sfr s GLN 12 N -3.81 3.64 -0.22 1.48 -0.21 -1.26 -1.86 119.66 117.42 1sfr s GLN 12 Ca 0.75 -0.50 -0.07 0.00 0.02 0.00 0.00 55.36 55.56 1sfr s GLN 12 Cb -0.29 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.47 1sfr s GLN 12 CO 0.43 -0.11 0.06 0.08 -2.12 0.00 0.00 175.29 173.63 1sfr s VAL 13 N 1.36 4.43 0.10 1.09 1.01 -0.12 -4.87 120.40 123.39 1sfr s VAL 13 Ca 0.05 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 1sfr s VAL 13 Cb -0.15 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 1sfr s VAL 13 CO 0.02 0.39 1.37 -2.16 0.00 0.00 0.00 175.10 174.73 1sfr s PRO 14 N 1.06 4.33 -0.55 2.72 0.04 -1.26 0.21 135.00 141.54 1sfr s PRO 14 Ca 0.04 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.15 1sfr s PRO 14 Cb -0.14 -3.28 0.14 0.00 0.04 0.00 0.00 34.50 31.26 1sfr s PRO 14 CO 0.03 -0.43 0.31 0.45 0.04 0.00 0.00 177.00 177.40 1sfr s SER 15 N 1.15 4.44 0.33 6.66 0.15 -0.93 -4.84 113.70 120.66 1sfr s SER 15 Ca 0.64 -3.14 0.08 0.00 0.70 0.00 0.00 55.95 54.23 1sfr s SER 15 Cb -0.36 -1.65 0.80 0.00 -1.71 0.00 0.00 66.02 63.10 1sfr s SER 15 CO 0.30 -0.21 1.81 -0.65 1.20 0.00 0.00 173.24 175.68 1sfr h PRO 16 N 6.34 0.69 -0.75 5.44 0.11 -1.95 0.18 132.00 142.07 1sfr h PRO 16 Ca -0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1sfr h PRO 16 Cb 0.87 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.79 1sfr h PRO 16 CO 0.70 0.46 0.43 0.66 -0.21 0.00 0.00 178.00 180.03 1sfr h SER 17 N 0.71 0.92 -0.11 -2.05 4.64 -1.94 -2.70 113.55 113.02 1sfr h SER 17 Ca 0.54 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1sfr h SER 17 Cb 0.90 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1sfr h SER 17 CO -0.31 0.73 0.00 0.23 -0.87 0.00 0.00 176.83 176.62 1sfr n MET 18 N -4.48 2.01 -3.81 4.77 2.81 -0.36 -4.87 117.12 113.19 1sfr n MET 18 Ca 0.07 -1.48 -0.29 0.00 -1.81 0.00 0.00 57.70 54.18 1sfr n MET 18 Cb 0.08 -1.46 0.03 0.00 -0.71 0.00 0.00 33.22 31.15 1sfr n MET 18 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sfr n GLY 19 N 1.27 -0.50 3.58 3.03 0.00 0.51 -4.64 105.19 108.44 1sfr n GLY 19 Ca 0.17 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.33 1sfr n GLY 19 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sfr s ARG 20 N -6.52 0.57 0.32 1.61 1.70 -1.19 -5.05 118.95 110.40 1sfr s ARG 20 Ca 0.63 -0.24 -0.19 0.00 -0.47 0.00 0.00 55.73 55.45 1sfr s ARG 20 Cb -0.31 0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 34.22 1sfr s ARG 20 CO 0.77 -0.25 0.81 -0.51 -1.08 0.00 0.00 175.30 175.04 1sfr s ASP 21 N -2.46 6.98 -0.13 -2.89 1.11 -1.26 -2.19 116.67 115.82 1sfr s ASP 21 Ca 0.09 1.49 -0.01 0.00 0.18 0.00 0.00 52.55 54.30 1sfr s ASP 21 Cb -0.00 -2.45 -0.02 0.00 1.07 0.00 0.00 42.92 41.51 1sfr s ASP 21 CO -0.05 -0.15 -0.09 -0.63 1.18 0.00 0.00 175.17 175.43 1sfr s ILE 22 N -1.83 3.45 0.22 0.77 -1.09 0.13 -4.90 121.20 117.95 1sfr s ILE 22 Ca 0.52 -0.53 -0.30 0.00 -2.23 0.00 0.00 60.65 58.11 1sfr s ILE 22 Cb -0.13 -2.46 -0.09 0.00 -1.58 0.00 0.00 42.46 38.20 1sfr s ILE 22 CO 0.18 0.53 1.24 -0.54 -1.23 0.00 0.00 174.94 175.12 1sfr s LYS 23 N 0.15 4.45 -0.20 2.79 -0.14 -1.26 -0.95 119.74 124.58 1sfr s LYS 23 Ca -0.04 1.98 -0.04 0.00 -1.36 0.00 0.00 55.97 56.51 1sfr s LYS 23 Cb -0.14 -3.19 0.10 0.00 -1.68 0.00 0.00 37.83 32.91 1sfr s LYS 23 CO 0.04 -0.12 0.28 0.08 -0.76 0.00 0.00 175.35 174.86 1sfr s VAL 24 N -0.29 -0.42 -0.15 3.17 1.01 -0.78 -1.12 120.40 121.82 1sfr s VAL 24 Ca 0.53 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1sfr s VAL 24 Cb -0.35 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1sfr s VAL 24 CO 0.40 -0.12 1.16 -1.10 0.00 0.00 0.00 175.10 175.44 1sfr s GLN 25 N 2.41 4.29 0.25 2.72 -0.21 -0.36 -2.77 119.66 125.98 1sfr s GLN 25 Ca 0.07 1.55 0.11 0.00 0.02 0.00 0.00 55.36 57.12 1sfr s GLN 25 Cb -0.15 -3.66 -0.05 0.00 1.00 0.00 0.00 33.01 30.15 1sfr s GLN 25 CO -0.13 -0.59 -0.18 0.12 -2.12 0.00 0.00 175.29 172.39 1sfr s PHE 26 N 2.99 2.36 -0.49 0.91 5.36 -0.72 -1.12 117.98 127.27 1sfr s PHE 26 Ca 0.51 -0.32 0.07 0.00 -0.96 0.00 0.00 56.93 56.23 1sfr s PHE 26 Cb -0.20 -1.07 0.19 0.00 -0.34 0.00 0.00 43.02 41.60 1sfr s PHE 26 CO 0.14 0.64 0.67 -1.14 -1.46 0.00 0.00 175.22 174.07 1sfr s GLN 27 N -3.27 1.00 0.58 10.12 0.74 -0.86 -0.46 119.66 127.51 1sfr s GLN 27 Ca 0.28 -1.02 -0.18 0.00 0.05 0.00 0.00 55.36 54.49 1sfr s GLN 27 Cb -0.06 -0.17 -0.14 0.00 1.10 0.00 0.00 33.01 33.74 1sfr s GLN 27 CO 0.14 -1.31 -0.14 0.45 -0.55 0.00 0.00 175.29 173.89 1sfr n SER 28 N 3.23 -3.69 0.00 6.67 2.88 -1.26 -2.35 113.62 119.11 1sfr n SER 28 Ca 0.18 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 1sfr n SER 28 Cb 0.55 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1sfr n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sfr n GLY 29 N 2.55 1.05 0.00 0.46 0.00 -1.26 -4.72 105.19 103.27 1sfr n GLY 29 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1sfr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 30 N -0.29 0.79 3.75 -0.02 0.00 -1.26 -4.21 105.19 103.94 1sfr n GLY 30 Ca 0.00 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 1sfr n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfr s ALA 31 N -1.26 3.44 -1.50 4.61 0.00 -1.26 -4.08 121.76 121.70 1sfr s ALA 31 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1sfr s ALA 31 Cb 0.00 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.33 1sfr s ALA 31 CO 0.00 0.10 0.41 0.09 0.00 0.00 0.00 175.76 176.36 1sfr n ASN 32 N 2.92 -0.68 -4.85 0.00 3.02 0.12 -4.96 115.26 110.84 1sfr n ASN 32 Ca -0.05 -1.07 -0.32 0.00 -0.03 0.00 0.00 54.58 53.11 1sfr n ASN 32 Cb 0.51 -2.68 -0.06 0.00 -0.61 0.00 0.00 39.78 36.94 1sfr n ASN 32 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1sfr s SER 33 N -4.14 6.00 0.42 6.41 1.04 -1.26 -4.63 113.70 117.55 1sfr s SER 33 Ca 0.16 0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.55 1sfr s SER 33 Cb -0.09 -1.78 -0.10 0.00 0.10 0.00 0.00 66.02 64.15 1sfr s SER 33 CO 0.92 0.23 1.17 -0.81 0.98 0.00 0.00 173.24 175.73 1sfr n PRO 34 N 0.80 1.68 -3.61 4.02 -0.04 -1.26 -2.21 135.00 134.39 1sfr n PRO 34 Ca -0.10 0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 63.61 1sfr n PRO 34 Cb 0.52 -2.25 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 1sfr n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sfr s ALA 35 N -1.23 3.75 -0.33 0.55 0.00 -1.26 -1.94 121.76 121.30 1sfr s ALA 35 Ca 0.62 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1sfr s ALA 35 Cb -0.53 -2.24 0.10 0.00 0.00 0.00 0.00 23.12 20.45 1sfr s ALA 35 CO 0.57 0.57 0.04 -1.17 0.00 0.00 0.00 175.76 175.77 1sfr s LEU 36 N -1.70 4.25 -0.15 0.00 2.96 0.07 -1.28 118.68 122.84 1sfr s LEU 36 Ca 0.30 -2.01 -0.24 0.00 -0.22 0.00 0.00 54.13 51.96 1sfr s LEU 36 Cb -0.14 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1sfr s LEU 36 CO 0.16 -0.37 0.78 -0.31 -1.32 0.00 0.00 176.35 175.29 1sfr s TYR 37 N 1.03 3.45 -0.22 5.38 1.51 0.18 -0.92 117.35 127.76 1sfr s TYR 37 Ca 0.09 1.22 -0.03 0.00 -1.01 0.00 0.00 57.07 57.33 1sfr s TYR 37 Cb -0.19 -2.94 -0.00 0.00 -0.11 0.00 0.00 41.96 38.72 1sfr s TYR 37 CO -0.10 -0.15 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.62 1sfr s LEU 38 N 1.79 2.88 -0.05 -1.29 1.43 -0.20 -1.27 118.68 121.98 1sfr s LEU 38 Ca 0.37 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1sfr s LEU 38 Cb -0.17 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1sfr s LEU 38 CO 0.14 -0.04 0.26 -0.76 0.23 0.00 0.00 176.35 176.19 1sfr s LEU 39 N 1.45 4.41 0.76 1.79 1.43 -0.25 -3.98 118.68 124.29 1sfr s LEU 39 Ca 0.05 0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 1sfr s LEU 39 Cb -0.14 -2.40 0.05 0.00 0.03 0.00 0.00 46.19 43.72 1sfr s LEU 39 CO -0.04 0.34 1.11 -0.62 0.23 0.00 0.00 176.35 177.37 1sfr s ASP 40 N -1.22 4.93 0.88 2.29 -1.08 -1.26 -3.96 116.67 117.25 1sfr s ASP 40 Ca 0.21 1.14 -0.05 0.00 -0.52 0.00 0.00 52.55 53.34 1sfr s ASP 40 Cb -0.14 -1.88 0.08 0.00 -1.46 0.00 0.00 42.92 39.53 1sfr s ASP 40 CO 0.10 -1.67 0.51 0.61 0.52 0.00 0.00 175.17 175.24 1sfr n GLY 41 N -2.69 -0.77 0.34 2.66 0.00 -1.26 -3.89 105.19 99.57 1sfr n GLY 41 Ca 0.07 -1.76 0.07 0.00 0.00 0.00 0.00 46.02 44.40 1sfr n GLY 41 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sfr h LEU 42 N 0.00 -0.78 -7.73 0.99 5.85 -1.92 -3.16 115.31 108.55 1sfr h LEU 42 Ca -0.17 0.28 -0.78 0.00 0.84 0.00 0.00 57.88 58.06 1sfr h LEU 42 Cb 0.49 0.56 -0.28 0.00 0.37 0.00 0.00 40.66 41.80 1sfr h LEU 42 CO 0.13 -0.32 0.10 -0.13 -0.34 0.00 0.00 178.44 177.87 1sfr s ARG 43 N -6.20 3.58 -0.23 1.25 0.52 -1.26 -1.79 118.95 114.82 1sfr s ARG 43 Ca -0.14 -2.64 -0.13 0.00 -0.52 0.00 0.00 55.73 52.30 1sfr s ARG 43 Cb 0.27 -4.35 -0.05 0.00 0.52 0.00 0.00 34.95 31.34 1sfr s ARG 43 CO 0.78 -1.27 0.25 0.00 0.02 0.00 0.00 175.30 175.08 1sfr s ALA 44 N -0.18 3.58 0.39 2.13 0.00 -1.20 -4.99 121.76 121.51 1sfr s ALA 44 Ca 0.20 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1sfr s ALA 44 Cb -0.11 -2.47 -0.10 0.00 0.00 0.00 0.00 23.12 20.44 1sfr s ALA 44 CO -0.08 -0.29 0.92 -0.65 0.00 0.00 0.00 175.76 175.65 1sfr s GLN 45 N 1.28 4.27 0.00 0.00 -0.21 -1.26 -3.81 119.66 119.93 1sfr s GLN 45 Ca 0.12 1.11 0.28 0.00 0.02 0.00 0.00 55.36 56.89 1sfr s GLN 45 Cb -0.14 -2.34 1.55 0.00 1.00 0.00 0.00 33.01 33.07 1sfr s GLN 45 CO 0.07 0.06 2.01 -0.25 -2.12 0.00 0.00 175.29 175.06 1sfr n ASP 46 N -0.35 0.38 0.00 5.90 8.00 -1.26 -1.66 116.55 127.57 1sfr n ASP 46 Ca 0.05 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1sfr n ASP 46 Cb 0.53 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1sfr n ASP 46 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1sfr n ASP 47 N -0.67 0.00 -4.18 -2.24 2.03 -1.26 -4.74 116.55 105.49 1sfr n ASP 47 Ca 0.21 0.03 -0.11 0.00 0.52 0.00 0.00 54.79 55.43 1sfr n ASP 47 Cb 0.16 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.46 1sfr n ASP 47 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1sfr s PHE 48 N -0.05 0.96 0.20 -0.67 0.08 -1.26 -4.97 117.98 112.27 1sfr s PHE 48 Ca 0.00 -0.93 -0.30 0.00 0.12 0.00 0.00 56.93 55.82 1sfr s PHE 48 Cb 0.00 -0.55 -0.08 0.00 -0.57 0.00 0.00 43.02 41.82 1sfr s PHE 48 CO 0.00 -0.16 1.12 0.45 -0.10 0.00 0.00 175.22 176.54 1sfr s SER 49 N -3.07 7.22 0.13 1.36 0.15 -1.26 -4.35 113.70 113.89 1sfr s SER 49 Ca 0.14 2.16 0.11 0.00 0.70 0.00 0.00 55.95 59.06 1sfr s SER 49 Cb 0.05 -2.61 0.55 0.00 -1.71 0.00 0.00 66.02 62.31 1sfr s SER 49 CO -0.03 -0.24 1.34 0.61 1.20 0.00 0.00 173.24 176.11 1sfr n GLY 50 N 1.92 -0.74 0.07 9.45 0.00 -1.26 -0.74 105.19 113.89 1sfr n GLY 50 Ca 0.02 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1sfr n GLY 50 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1sfr n TRP 51 N -1.83 0.59 -0.07 1.61 7.02 -1.26 -2.04 117.44 121.46 1sfr n TRP 51 Ca 0.00 0.17 -0.10 0.00 -1.02 0.00 0.00 57.50 56.55 1sfr n TRP 51 Cb 0.05 -0.77 -0.07 0.00 -2.42 0.00 0.00 31.31 28.10 1sfr n TRP 51 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1sfr n ASP 52 N -1.98 2.75 0.30 -0.99 2.03 0.08 -3.37 116.55 115.38 1sfr n ASP 52 Ca 0.06 -0.07 0.19 0.00 0.52 0.00 0.00 54.79 55.48 1sfr n ASP 52 Cb 0.40 -0.12 0.91 0.00 -0.72 0.00 0.00 41.12 41.59 1sfr n ASP 52 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1sfr h ILE 53 N 0.00 0.12 0.00 5.18 2.04 -1.17 -3.28 117.51 120.40 1sfr h ILE 53 Ca -0.33 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1sfr h ILE 53 Cb 1.54 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1sfr h ILE 53 CO -0.04 0.03 -0.11 0.59 0.00 0.00 0.00 178.15 178.61 1sfr n ASN 54 N -3.20 0.55 -4.02 1.72 3.02 -0.86 -5.04 115.26 107.42 1sfr n ASN 54 Ca -0.01 -0.27 -0.08 0.00 -0.03 0.00 0.00 54.58 54.19 1sfr n ASN 54 Cb 0.20 0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 39.91 1sfr n ASN 54 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sfr s THR 55 N -0.75 0.17 -0.19 3.41 -4.23 -1.22 -4.93 115.64 107.90 1sfr s THR 55 Ca 0.00 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1sfr s THR 55 Cb 0.00 -1.12 0.09 0.00 1.34 0.00 0.00 72.50 72.81 1sfr s THR 55 CO 0.00 -0.80 2.22 -0.81 -0.54 0.00 0.00 174.62 174.69 1sfr n PRO 56 N 0.54 1.60 -0.00 3.99 -0.04 -1.26 -4.26 135.00 135.57 1sfr n PRO 56 Ca -0.17 -1.05 -0.04 0.00 -0.04 0.00 0.00 63.50 62.20 1sfr n PRO 56 Cb 0.59 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 1sfr n PRO 56 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sfr h ALA 57 N 1.58 -0.54 -1.08 0.55 0.00 -1.92 -0.28 119.26 117.56 1sfr h ALA 57 Ca 0.19 -0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.42 1sfr h ALA 57 Cb 0.97 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 19.33 1sfr h ALA 57 CO 0.47 -0.60 0.66 0.74 0.00 0.00 0.00 179.25 180.52 1sfr h PHE 58 N -0.15 0.78 0.30 0.00 0.04 -1.86 -0.83 116.94 115.22 1sfr h PHE 58 Ca 0.01 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1sfr h PHE 58 Cb 0.18 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1sfr h PHE 58 CO -0.49 -0.11 -0.14 1.49 -0.60 0.00 0.00 178.31 178.46 1sfr h GLU 59 N 0.30 -0.39 -0.89 1.51 4.81 -1.72 -2.87 114.58 115.33 1sfr h GLU 59 Ca 0.71 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 60.15 1sfr h GLU 59 Cb 1.81 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 31.18 1sfr h GLU 59 CO -0.48 -0.05 0.46 -1.49 -0.73 0.00 0.00 179.01 176.72 1sfr h TRP 60 N -0.82 0.80 -0.83 0.92 6.55 0.28 -0.74 115.95 122.11 1sfr h TRP 60 Ca -0.04 0.04 -0.46 0.00 0.95 0.00 0.00 58.89 59.37 1sfr h TRP 60 Cb 0.52 -0.22 -0.25 0.00 -0.86 0.00 0.00 29.16 28.34 1sfr h TRP 60 CO 0.03 0.14 0.59 0.66 -1.05 0.00 0.00 178.44 178.81 1sfr n TYR 61 N -4.89 2.58 -2.69 0.49 4.02 -0.63 -4.86 117.16 111.18 1sfr n TYR 61 Ca 0.20 -1.86 -0.43 0.00 -0.01 0.00 0.00 57.90 55.80 1sfr n TYR 61 Cb 0.52 -0.93 -0.02 0.00 -0.02 0.00 0.00 39.34 38.88 1sfr n TYR 61 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1sfr s ASP 62 N -0.96 7.20 -1.30 7.72 2.15 -0.29 -3.30 116.67 127.89 1sfr s ASP 62 Ca 0.49 1.48 -0.01 0.00 0.43 0.00 0.00 52.55 54.93 1sfr s ASP 62 Cb 0.40 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.48 1sfr s ASP 62 CO 0.07 -0.51 0.10 1.67 -0.17 0.00 0.00 175.17 176.34 1sfr n GLN 63 N 5.37 -2.45 0.00 4.34 7.27 -1.26 -4.82 117.38 125.83 1sfr n GLN 63 Ca 0.09 0.71 0.14 0.00 0.07 0.00 0.00 57.00 58.01 1sfr n GLN 63 Cb 0.48 -5.36 0.59 0.00 2.41 0.00 0.00 30.24 28.36 1sfr n GLN 63 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1sfr n SER 64 N -1.97 0.20 0.00 1.69 3.41 -1.21 -4.89 113.62 110.85 1sfr n SER 64 Ca -0.15 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1sfr n SER 64 Cb 0.62 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1sfr n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfr n GLY 65 N 1.40 0.52 3.36 5.00 0.00 -1.24 -4.70 105.19 109.52 1sfr n GLY 65 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1sfr n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sfr s LEU 66 N 0.00 2.42 -0.44 0.99 1.02 -1.26 -4.21 118.68 117.20 1sfr s LEU 66 Ca 0.00 -0.37 -0.24 0.00 0.02 0.00 0.00 54.13 53.54 1sfr s LEU 66 Cb 0.00 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.75 1sfr s LEU 66 CO 0.00 0.26 0.86 -0.44 0.02 0.00 0.00 176.35 177.05 1sfr s SER 67 N -0.24 6.48 0.00 2.29 0.01 -0.82 -4.04 113.70 117.38 1sfr s SER 67 Ca -0.00 0.07 -0.30 0.00 1.31 0.00 0.00 55.95 57.03 1sfr s SER 67 Cb -0.13 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1sfr s SER 67 CO 0.03 -0.96 1.02 -0.69 0.41 0.00 0.00 173.24 173.04 1sfr s VAL 68 N 3.50 4.74 -0.18 3.43 1.01 -0.99 -0.75 120.40 131.17 1sfr s VAL 68 Ca 0.34 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.29 1sfr s VAL 68 Cb -0.11 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.03 1sfr s VAL 68 CO 0.24 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 1sfr s VAL 69 N 1.09 1.99 -0.32 2.92 1.01 -0.10 -2.02 120.40 124.97 1sfr s VAL 69 Ca 0.53 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1sfr s VAL 69 Cb -0.22 -1.81 0.09 0.00 0.00 0.00 0.00 36.38 34.45 1sfr s VAL 69 CO 0.28 0.53 0.04 -0.04 0.00 0.00 0.00 175.10 175.90 1sfr s MET 70 N 1.31 1.43 0.51 2.72 -1.94 -0.27 -1.03 119.30 122.02 1sfr s MET 70 Ca 0.05 -1.67 -0.21 0.00 -1.71 0.00 0.00 55.69 52.15 1sfr s MET 70 Cb -0.13 -2.96 -0.06 0.00 2.01 0.00 0.00 34.83 33.69 1sfr s MET 70 CO -0.13 -0.90 1.17 -2.14 -0.01 0.00 0.00 175.02 173.01 1sfr s PRO 71 N 1.05 3.50 -0.11 2.03 0.02 -1.26 -1.22 135.00 139.02 1sfr s PRO 71 Ca 0.08 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1sfr s PRO 71 Cb -0.19 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 1sfr s PRO 71 CO -0.10 -0.76 -0.11 0.08 -0.33 0.00 0.00 177.00 175.78 1sfr s VAL 72 N -1.62 3.23 0.00 3.83 1.01 -0.27 -4.65 120.40 121.93 1sfr s VAL 72 Ca 0.69 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1sfr s VAL 72 Cb -0.28 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1sfr s VAL 72 CO 0.32 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.58 1sfr n GLY 73 N 3.11 -2.41 0.54 4.51 0.00 -0.66 -4.44 105.19 105.83 1sfr n GLY 73 Ca -0.18 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1sfr n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 74 N -0.30 0.54 3.77 -0.02 0.00 -1.26 -4.88 105.19 103.04 1sfr n GLY 74 Ca 0.00 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1sfr n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sfr s GLN 75 N -1.66 4.18 -1.41 1.61 0.74 -1.25 -2.24 119.66 119.63 1sfr s GLN 75 Ca 0.00 2.38 0.00 0.00 0.05 0.00 0.00 55.36 57.79 1sfr s GLN 75 Cb 0.00 -2.98 0.00 0.00 1.10 0.00 0.00 33.01 31.13 1sfr s GLN 75 CO 0.00 -0.40 0.00 0.43 -0.55 0.00 0.00 175.29 174.77 1sfr n SER 76 N 0.54 -4.05 0.08 6.67 7.64 -0.74 -4.82 113.62 118.95 1sfr n SER 76 Ca 0.01 0.27 0.05 0.00 1.01 0.00 0.00 58.87 60.20 1sfr n SER 76 Cb 0.41 -3.60 -0.02 0.00 -1.01 0.00 0.00 64.21 59.99 1sfr n SER 76 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1sfr h SER 77 N 0.00 0.00 -1.08 6.43 4.64 -1.75 -3.47 113.55 118.32 1sfr h SER 77 Ca -0.32 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.65 1sfr h SER 77 Cb 1.07 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.02 1sfr h SER 77 CO 0.42 0.36 -0.32 0.49 -0.87 0.00 0.00 176.83 176.91 1sfr n PHE 78 N -2.90 -0.13 -4.00 4.77 3.01 -1.26 -2.31 117.46 114.64 1sfr n PHE 78 Ca -0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.12 1sfr n PHE 78 Cb 0.72 -3.08 -0.00 0.00 -0.01 0.00 0.00 39.48 37.10 1sfr n PHE 78 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1sfr n TYR 79 N -2.17 -1.92 -4.43 1.38 4.01 -1.26 -4.73 117.16 108.04 1sfr n TYR 79 Ca -0.17 0.83 -0.21 0.00 -0.16 0.00 0.00 57.90 58.18 1sfr n TYR 79 Cb 0.59 -3.63 -0.10 0.00 -0.31 0.00 0.00 39.34 35.89 1sfr n TYR 79 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1sfr s SER 80 N -3.68 2.13 -0.26 7.72 1.04 -0.98 -3.51 113.70 116.16 1sfr s SER 80 Ca 0.46 -1.47 -0.25 0.00 0.48 0.00 0.00 55.95 55.16 1sfr s SER 80 Cb -0.24 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1sfr s SER 80 CO 0.88 -0.75 0.87 -1.81 0.98 0.00 0.00 173.24 173.41 1sfr s ASP 81 N -3.47 6.84 0.38 7.02 1.11 -1.26 -3.11 116.67 124.18 1sfr s ASP 81 Ca 0.33 1.00 -0.18 0.00 0.18 0.00 0.00 52.55 53.88 1sfr s ASP 81 Cb 0.07 -2.45 -0.10 0.00 1.07 0.00 0.00 42.92 41.51 1sfr s ASP 81 CO 0.15 -0.59 0.85 0.26 1.18 0.00 0.00 175.17 177.02 1sfr s TRP 82 N 2.99 3.35 -0.04 4.23 0.52 0.03 -4.93 118.94 125.09 1sfr s TRP 82 Ca 0.36 1.40 -0.23 0.00 0.02 0.00 0.00 56.10 57.66 1sfr s TRP 82 Cb -0.15 -2.69 -0.17 0.00 -1.15 0.00 0.00 33.47 29.32 1sfr s TRP 82 CO 0.09 -0.03 1.00 1.88 0.02 0.00 0.00 176.95 179.91 1sfr h TYR 83 N 2.00 -0.22 -1.09 -1.98 0.05 -1.16 -3.47 116.97 111.12 1sfr h TYR 83 Ca -0.48 -0.01 -0.50 0.00 0.05 0.00 0.00 58.73 57.79 1sfr h TYR 83 Cb 1.18 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 1sfr h TYR 83 CO 0.62 0.21 -0.27 -0.65 -1.05 0.00 0.00 178.16 177.02 1sfr s GLN 84 N -3.78 2.45 0.37 4.88 -1.52 -0.46 -5.07 119.66 116.53 1sfr s GLN 84 Ca -0.13 -1.64 -0.27 0.00 -1.95 0.00 0.00 55.36 51.37 1sfr s GLN 84 Cb 0.01 -2.44 -0.09 0.00 -0.22 0.00 0.00 33.01 30.27 1sfr s GLN 84 CO 0.52 -0.48 1.18 -2.14 -0.25 0.00 0.00 175.29 174.12 1sfr s PRO 85 N -4.34 4.20 -1.04 2.91 0.02 -1.26 -4.75 135.00 130.75 1sfr s PRO 85 Ca 0.49 1.90 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 1sfr s PRO 85 Cb -0.05 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.65 1sfr s PRO 85 CO 0.30 -0.21 1.69 0.00 -0.33 0.00 0.00 177.00 178.45 1sfr s ALA 86 N -1.32 2.37 0.08 -1.55 0.00 0.11 -4.82 121.76 116.61 1sfr s ALA 86 Ca 0.54 -2.10 -0.13 0.00 0.00 0.00 0.00 51.96 50.27 1sfr s ALA 86 Cb -0.33 -4.57 -0.06 0.00 0.00 0.00 0.00 23.12 18.16 1sfr s ALA 86 CO 0.42 -4.12 0.46 0.00 0.00 0.00 0.00 175.76 172.52 1sfr n GLY 88 N 1.18 2.93 0.29 0.00 0.00 0.15 -4.21 105.19 105.52 1sfr n GLY 88 Ca -0.09 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.73 1sfr n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sfr h LYS 89 N 0.00 -0.41 0.00 1.61 6.56 -1.44 -1.13 116.57 121.76 1sfr h LYS 89 Ca 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1sfr h LYS 89 Cb 0.00 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1sfr h LYS 89 CO 0.00 -0.27 0.05 0.00 -2.06 0.00 0.00 179.45 177.16 1sfr h ALA 90 N 0.36 1.05 0.00 3.86 0.00 -1.97 -3.48 119.26 119.08 1sfr h ALA 90 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sfr h ALA 90 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sfr h ALA 90 CO -0.19 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.42 1sfr n GLY 91 N -1.10 0.73 3.71 0.00 0.00 -0.43 -5.10 105.19 103.00 1sfr n GLY 91 Ca -0.03 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 1sfr n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfr s GLN 93 N -3.77 0.58 -0.03 0.00 -2.07 -1.00 -4.95 119.66 108.41 1sfr s GLN 93 Ca 0.34 0.07 -0.26 0.00 -1.82 0.00 0.00 55.36 53.69 1sfr s GLN 93 Cb -0.05 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1sfr s GLN 93 CO 0.22 -0.20 0.80 0.95 -1.32 0.00 0.00 175.29 175.74 1sfr s THR 94 N -1.43 4.96 -0.32 3.63 -4.23 -1.26 0.05 115.64 117.03 1sfr s THR 94 Ca 0.00 1.66 -0.06 0.00 -1.18 0.00 0.00 61.69 62.11 1sfr s THR 94 Cb -0.01 -4.14 0.03 0.00 1.34 0.00 0.00 72.50 69.73 1sfr s THR 94 CO -0.01 0.23 0.09 -0.31 -0.54 0.00 0.00 174.62 174.08 1sfr s TYR 95 N 0.79 3.22 -0.31 3.99 2.02 -1.26 -4.79 117.35 121.00 1sfr s TYR 95 Ca 0.42 -1.35 0.17 0.00 -0.37 0.00 0.00 57.07 55.95 1sfr s TYR 95 Cb -0.19 -2.25 0.47 0.00 -0.40 0.00 0.00 41.96 39.59 1sfr s TYR 95 CO 0.22 -0.70 1.04 1.63 -1.57 0.00 0.00 175.55 176.17 1sfr n LYS 96 N 4.81 1.83 -0.22 -0.62 4.76 -1.26 -0.79 118.16 126.66 1sfr n LYS 96 Ca -0.13 -3.57 0.06 0.00 -2.87 0.00 0.00 58.31 51.80 1sfr n LYS 96 Cb 0.45 -1.57 0.33 0.00 -1.84 0.00 0.00 35.03 32.40 1sfr n LYS 96 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 1sfr h TRP 97 N 2.75 0.84 -0.46 2.13 4.06 -1.83 -0.82 115.95 122.62 1sfr h TRP 97 Ca -0.02 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.86 1sfr h TRP 97 Cb 1.21 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 1sfr h TRP 97 CO 0.57 0.43 -0.04 1.49 -3.56 0.00 0.00 178.44 177.33 1sfr h GLU 98 N 0.82 0.84 -0.57 0.49 4.81 -1.73 0.29 114.58 119.52 1sfr h GLU 98 Ca 0.35 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1sfr h GLU 98 Cb 0.30 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1sfr h GLU 98 CO -0.13 0.91 0.35 1.15 -0.73 0.00 0.00 179.01 180.57 1sfr h THR 99 N 0.68 1.16 0.30 0.32 2.02 -1.76 -0.34 112.91 115.30 1sfr h THR 99 Ca 0.13 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1sfr h THR 99 Cb 0.56 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1sfr h THR 99 CO 0.03 0.16 -0.15 0.15 0.37 0.00 0.00 175.52 176.09 1sfr h PHE 100 N 0.77 -0.38 0.00 3.16 3.57 -0.87 -1.26 116.94 121.92 1sfr h PHE 100 Ca 0.21 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1sfr h PHE 100 Cb -0.04 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1sfr h PHE 100 CO -0.03 -0.11 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.75 1sfr h LEU 101 N -0.61 0.00 -1.91 0.59 3.38 -0.30 0.24 115.31 116.71 1sfr h LEU 101 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1sfr h LEU 101 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sfr h LEU 101 CO 0.07 0.12 0.00 0.35 0.09 0.00 0.00 178.44 179.07 1sfr n THR 102 N -3.75 0.35 0.02 0.22 -2.24 -0.15 -4.43 114.28 104.31 1sfr n THR 102 Ca -0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1sfr n THR 102 Cb 0.23 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1sfr n THR 102 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1sfr n SER 103 N 0.46 0.01 0.32 3.42 2.88 -0.48 -4.91 113.62 115.31 1sfr n SER 103 Ca 0.07 0.07 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1sfr n SER 103 Cb 0.29 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.73 1sfr n SER 103 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1sfr h GLU 104 N 0.00 -0.80 -0.19 -1.46 5.08 -1.40 -2.42 114.58 113.39 1sfr h GLU 104 Ca 0.00 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1sfr h GLU 104 Cb 0.00 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 1sfr h GLU 104 CO 0.00 -0.53 -0.37 1.25 -1.00 0.00 0.00 179.01 178.36 1sfr h LEU 105 N -0.97 -1.15 -1.20 1.33 6.46 -0.83 -0.30 115.31 118.66 1sfr h LEU 105 Ca -0.08 0.17 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1sfr h LEU 105 Cb 0.63 0.49 -0.04 0.00 -0.73 0.00 0.00 40.66 41.02 1sfr h LEU 105 CO 0.14 -0.38 0.52 1.55 -0.62 0.00 0.00 178.44 179.65 1sfr h PRO 106 N -0.41 1.06 -0.09 5.25 0.13 -1.76 0.96 132.00 137.15 1sfr h PRO 106 Ca 0.10 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 65.06 1sfr h PRO 106 Cb 0.58 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1sfr h PRO 106 CO -0.41 0.71 -0.40 0.78 -0.23 0.00 0.00 178.00 178.45 1sfr h GLY 107 N 1.09 0.20 0.24 1.56 0.00 -0.94 -2.72 103.07 102.50 1sfr h GLY 107 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1sfr h GLY 107 CO -0.06 0.17 -0.05 -0.25 0.00 0.00 0.00 176.54 176.34 1sfr h TRP 108 N 0.16 -0.14 0.00 5.60 7.01 -0.30 -2.88 115.95 125.40 1sfr h TRP 108 Ca 0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1sfr h TRP 108 Cb 0.78 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.89 1sfr h TRP 108 CO 0.01 0.34 0.05 1.28 -2.79 0.00 0.00 178.44 177.33 1sfr n LEU 109 N -4.85 0.00 -0.11 0.65 4.77 0.26 -0.68 117.00 117.04 1sfr n LEU 109 Ca -0.07 0.40 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 1sfr n LEU 109 Cb 0.26 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1sfr n LEU 109 CO 0.23 -0.40 -0.87 1.67 -1.33 0.00 0.00 177.39 176.69 1sfr n GLN 110 N -1.39 0.55 0.25 3.23 7.27 -1.03 -0.03 117.38 126.22 1sfr n GLN 110 Ca 0.00 0.39 0.13 0.00 0.07 0.00 0.00 57.00 57.59 1sfr n GLN 110 Cb 0.05 -1.59 0.56 0.00 2.41 0.00 0.00 30.24 31.67 1sfr n GLN 110 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sfr h ALA 111 N -0.85 1.03 0.00 1.69 0.00 -1.23 -0.39 119.26 119.51 1sfr h ALA 111 Ca -0.37 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sfr h ALA 111 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sfr h ALA 111 CO -0.23 0.16 -1.39 0.09 0.00 0.00 0.00 179.25 177.88 1sfr n ASN 112 N -3.28 2.29 -0.11 0.00 4.13 0.14 -4.70 115.26 113.73 1sfr n ASN 112 Ca 0.00 -0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1sfr n ASN 112 Cb 0.37 1.45 0.00 0.00 -1.54 0.00 0.00 39.78 40.06 1sfr n ASN 112 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1sfr n ARG 113 N -1.81 0.31 -4.03 3.52 5.12 -1.12 -5.02 116.66 113.63 1sfr n ARG 113 Ca -0.02 -0.76 -0.27 0.00 -1.93 0.00 0.00 57.85 54.88 1sfr n ARG 113 Cb 0.27 -0.57 -0.04 0.00 -1.16 0.00 0.00 32.46 30.96 1sfr n ARG 113 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1sfr n HIS 114 N -0.09 -1.56 -3.77 -1.55 8.25 -0.16 -4.79 115.22 111.55 1sfr n HIS 114 Ca 0.00 0.71 -0.37 0.00 -0.26 0.00 0.00 57.72 57.80 1sfr n HIS 114 Cb 0.53 -3.52 -0.06 0.00 1.12 0.00 0.00 29.99 28.05 1sfr n HIS 114 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sfr s VAL 115 N -4.05 5.40 -0.38 1.59 1.01 0.95 0.11 120.40 125.04 1sfr s VAL 115 Ca 0.01 0.34 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1sfr s VAL 115 Cb -0.00 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1sfr s VAL 115 CO 0.91 0.58 2.27 0.29 0.00 0.00 0.00 175.10 179.16 1sfr n LYS 116 N 2.22 1.26 0.21 2.72 4.76 -0.94 -4.17 118.16 124.22 1sfr n LYS 116 Ca -0.18 0.29 0.15 0.00 -2.87 0.00 0.00 58.31 55.70 1sfr n LYS 116 Cb 0.54 -2.80 0.69 0.00 -1.84 0.00 0.00 35.03 31.62 1sfr n LYS 116 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1sfr h PRO 117 N 14.43 0.00 -5.14 1.97 0.13 -1.90 -3.37 132.00 138.11 1sfr h PRO 117 Ca -0.29 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 1sfr h PRO 117 Cb 1.29 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 1sfr h PRO 117 CO 1.05 0.00 -0.56 0.95 -0.23 0.00 0.00 178.00 179.21 1sfr s THR 118 N -3.60 0.93 -1.40 1.56 -4.23 -1.26 -4.75 115.64 102.89 1sfr s THR 118 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1sfr s THR 118 Cb 0.09 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1sfr s THR 118 CO 0.38 0.00 0.42 0.61 -0.54 0.00 0.00 174.62 175.49 1sfr n GLY 119 N -0.85 -0.36 2.28 3.99 0.00 -1.08 -4.70 105.19 104.46 1sfr n GLY 119 Ca -0.06 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1sfr n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sfr n SER 120 N -1.85 0.69 -3.94 1.61 7.64 0.74 -4.52 113.62 114.00 1sfr n SER 120 Ca -0.12 -1.62 -0.10 0.00 1.01 0.00 0.00 58.87 58.04 1sfr n SER 120 Cb 0.62 -0.41 -0.12 0.00 -1.01 0.00 0.00 64.21 63.29 1sfr n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfr s ALA 121 N -3.14 0.08 -0.08 -0.43 0.00 -0.41 -1.87 121.76 115.92 1sfr s ALA 121 Ca 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1sfr s ALA 121 Cb -0.02 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1sfr s ALA 121 CO 0.27 -0.09 -0.05 0.08 0.00 0.00 0.00 175.76 175.96 1sfr s VAL 122 N -0.87 0.73 -0.04 0.00 1.01 -0.40 -0.65 120.40 120.18 1sfr s VAL 122 Ca -0.09 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1sfr s VAL 122 Cb -0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1sfr s VAL 122 CO -0.01 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.48 1sfr s VAL 123 N 1.42 1.80 0.04 2.92 1.01 -0.40 0.95 120.40 128.14 1sfr s VAL 123 Ca -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1sfr s VAL 123 Cb -0.13 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1sfr s VAL 123 CO -0.03 0.51 0.04 -0.83 0.00 0.00 0.00 175.10 174.78 1sfr s GLY 124 N -0.21 0.28 0.18 4.51 0.00 -0.44 -1.09 107.32 110.56 1sfr s GLY 124 Ca -0.00 -0.80 0.08 0.00 0.00 0.00 0.00 44.72 44.00 1sfr s GLY 124 CO 0.02 -0.92 -0.16 0.48 0.00 0.00 0.00 173.10 172.51 1sfr s LEU 125 N -2.39 2.49 0.00 0.66 -0.00 -1.25 -0.53 118.68 117.65 1sfr s LEU 125 Ca -0.01 -0.92 0.00 0.00 -0.00 0.00 0.00 54.13 53.19 1sfr s LEU 125 Cb 0.02 -0.75 0.00 0.00 -0.00 0.00 0.00 46.19 45.45 1sfr s LEU 125 CO -0.07 -0.10 0.00 -0.24 -0.00 0.00 0.00 176.35 175.95 1sfr n SER 126 N 0.02 0.00 -0.34 1.48 2.88 0.43 -1.28 113.62 116.80 1sfr n SER 126 Ca -0.11 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.48 1sfr n SER 126 Cb 0.58 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.17 1sfr n SER 126 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1sfr h MET 127 N 0.00 -0.00 0.00 -1.46 1.85 -1.87 0.37 114.93 113.83 1sfr h MET 127 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1sfr h MET 127 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1sfr h MET 127 CO 0.00 -0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 1sfr n ALA 128 N -3.56 2.29 0.34 0.39 0.00 -0.40 -3.96 120.51 115.60 1sfr n ALA 128 Ca 0.15 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1sfr n ALA 128 Cb 0.48 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 1sfr n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfr h ALA 129 N 3.25 -0.83 -0.05 0.00 0.00 -0.14 -1.27 119.26 120.22 1sfr h ALA 129 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1sfr h ALA 129 Cb 0.19 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sfr h ALA 129 CO 0.00 -0.97 -0.39 0.66 0.00 0.00 0.00 179.25 178.55 1sfr h SER 130 N -0.83 0.10 -0.93 0.00 4.64 -1.73 -2.93 113.55 111.88 1sfr h SER 130 Ca -0.08 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1sfr h SER 130 Cb 0.64 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.65 1sfr h SER 130 CO 0.13 0.49 0.61 0.28 -0.87 0.00 0.00 176.83 177.48 1sfr h SER 131 N 0.09 1.04 -0.01 4.97 0.02 -1.64 0.13 113.55 118.13 1sfr h SER 131 Ca 0.01 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1sfr h SER 131 Cb 0.74 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1sfr h SER 131 CO 0.06 0.73 0.01 0.00 -1.14 0.00 0.00 176.83 176.48 1sfr h ALA 132 N 1.36 0.02 -0.08 3.77 0.00 -1.04 0.08 119.26 123.36 1sfr h ALA 132 Ca 0.36 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1sfr h ALA 132 Cb -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1sfr h ALA 132 CO -0.10 -0.41 -0.08 -0.07 0.00 0.00 0.00 179.25 178.59 1sfr h LEU 133 N -0.13 -0.26 -0.81 0.00 3.38 -1.42 -1.76 115.31 114.31 1sfr h LEU 133 Ca 0.00 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.16 1sfr h LEU 133 Cb 0.15 0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1sfr h LEU 133 CO -0.00 -0.12 0.40 0.74 0.09 0.00 0.00 178.44 179.55 1sfr h THR 134 N -0.11 0.75 -0.77 0.22 2.02 -0.53 -0.49 112.91 113.99 1sfr h THR 134 Ca 0.06 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1sfr h THR 134 Cb 0.19 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.67 1sfr h THR 134 CO -0.15 0.11 0.41 -0.07 0.37 0.00 0.00 175.52 176.19 1sfr h LEU 135 N 0.60 0.97 -0.68 2.58 3.38 -0.14 -1.99 115.31 120.02 1sfr h LEU 135 Ca 0.43 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 1sfr h LEU 135 Cb 0.57 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1sfr h LEU 135 CO -0.34 0.79 -0.61 0.00 0.09 0.00 0.00 178.44 178.36 1sfr h ALA 136 N 1.36 0.88 -0.63 1.53 0.00 -0.58 -1.06 119.26 120.77 1sfr h ALA 136 Ca 0.27 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1sfr h ALA 136 Cb 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1sfr h ALA 136 CO -0.04 0.74 0.14 0.82 0.00 0.00 0.00 179.25 180.91 1sfr h ILE 137 N 0.12 1.26 -0.01 0.00 2.04 -0.43 -2.62 117.51 117.86 1sfr h ILE 137 Ca -0.01 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1sfr h ILE 137 Cb 1.11 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1sfr h ILE 137 CO 0.09 0.36 -0.56 -1.22 0.00 0.00 0.00 178.15 176.82 1sfr n TYR 138 N -4.31 0.00 -3.09 1.37 4.01 -0.86 -4.54 117.16 109.75 1sfr n TYR 138 Ca 0.04 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.61 1sfr n TYR 138 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 1sfr n TYR 138 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1sfr n HIS 139 N -0.40 0.53 0.23 -0.72 8.25 -0.40 -4.96 115.22 117.75 1sfr n HIS 139 Ca 0.07 -3.66 0.07 0.00 -0.26 0.00 0.00 57.72 53.94 1sfr n HIS 139 Cb 0.40 -0.41 0.57 0.00 1.12 0.00 0.00 29.99 31.67 1sfr n HIS 139 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1sfr h PRO 140 N 3.00 0.03 0.05 -0.41 0.13 -1.66 -0.02 132.00 133.12 1sfr h PRO 140 Ca 0.07 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1sfr h PRO 140 Cb 0.98 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1sfr h PRO 140 CO 0.52 0.09 -0.02 1.96 -0.23 0.00 0.00 178.00 180.32 1sfr h GLN 141 N 0.03 -0.06 -0.10 0.86 7.50 -1.93 -3.30 115.11 118.12 1sfr h GLN 141 Ca 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.14 1sfr h GLN 141 Cb 0.13 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.67 1sfr h GLN 141 CO 0.01 0.26 -0.01 0.37 -1.50 0.00 0.00 178.83 177.95 1sfr h GLN 142 N -0.38 0.18 -4.70 1.46 4.15 -1.80 -2.97 115.11 111.05 1sfr h GLN 142 Ca -0.01 -0.06 -0.69 0.00 0.77 0.00 0.00 58.65 58.66 1sfr h GLN 142 Cb 0.35 -0.01 -0.30 0.00 0.21 0.00 0.00 27.48 27.72 1sfr h GLN 142 CO 0.01 0.47 -0.64 -0.06 -1.93 0.00 0.00 178.83 176.69 1sfr s PHE 143 N -4.83 3.27 -0.78 3.99 0.08 -0.04 -0.19 117.98 119.48 1sfr s PHE 143 Ca -0.14 -1.61 0.22 0.00 0.12 0.00 0.00 56.93 55.52 1sfr s PHE 143 Cb 0.05 -2.26 -0.17 0.00 -0.57 0.00 0.00 43.02 40.07 1sfr s PHE 143 CO 0.70 -0.76 0.87 0.28 -0.10 0.00 0.00 175.22 176.21 1sfr n VAL 144 N 4.74 0.02 -4.54 -0.44 0.31 -0.78 -4.33 118.33 113.30 1sfr n VAL 144 Ca -0.12 -0.12 -0.21 0.00 -0.01 0.00 0.00 64.34 63.87 1sfr n VAL 144 Cb 0.44 0.68 -0.15 0.00 -0.91 0.00 0.00 33.84 33.90 1sfr n VAL 144 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1sfr s TYR 145 N -3.12 1.14 -0.03 3.52 6.14 -1.15 -0.67 117.35 123.17 1sfr s TYR 145 Ca 0.05 -0.25 -0.01 0.00 0.64 0.00 0.00 57.07 57.50 1sfr s TYR 145 Cb 0.16 -0.76 0.03 0.00 0.42 0.00 0.00 41.96 41.81 1sfr s TYR 145 CO 0.86 -0.06 0.03 0.00 0.64 0.00 0.00 175.55 177.02 1sfr s ALA 146 N -0.11 0.21 -0.07 3.97 0.00 0.66 -1.27 121.76 125.14 1sfr s ALA 146 Ca 0.02 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1sfr s ALA 146 Cb -0.07 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1sfr s ALA 146 CO 0.00 -0.24 -0.11 0.20 0.00 0.00 0.00 175.76 175.61 1sfr s GLY 147 N 1.46 1.60 -0.09 0.00 0.00 0.27 -0.83 107.32 109.73 1sfr s GLY 147 Ca -0.04 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.73 1sfr s GLY 147 CO -0.03 -0.63 0.03 0.00 0.00 0.00 0.00 173.10 172.48 1sfr s ALA 148 N -0.58 0.57 -0.22 3.20 0.00 0.11 -1.33 121.76 123.51 1sfr s ALA 148 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 1sfr s ALA 148 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1sfr s ALA 148 CO 0.02 -0.66 -0.06 -1.64 0.00 0.00 0.00 175.76 173.41 1sfr s MET 149 N 2.03 3.19 -1.41 0.00 -1.94 0.31 -1.24 119.30 120.24 1sfr s MET 149 Ca 0.04 -0.74 -0.01 0.00 -1.71 0.00 0.00 55.69 53.26 1sfr s MET 149 Cb -0.13 -2.96 0.01 0.00 2.01 0.00 0.00 34.83 33.76 1sfr s MET 149 CO -0.05 -0.26 0.49 0.43 -0.01 0.00 0.00 175.02 175.61 1sfr n SER 150 N 4.75 -0.64 -4.83 3.03 7.64 0.73 -0.43 113.62 123.87 1sfr n SER 150 Ca -0.18 -0.97 -0.23 0.00 1.01 0.00 0.00 58.87 58.49 1sfr n SER 150 Cb 0.50 -3.21 -0.04 0.00 -1.01 0.00 0.00 64.21 60.44 1sfr n SER 150 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sfr s GLY 151 N -4.31 2.27 -0.57 0.23 0.00 -1.26 -3.77 107.32 99.91 1sfr s GLY 151 Ca 0.05 -1.84 -0.22 0.00 0.00 0.00 0.00 44.72 42.70 1sfr s GLY 151 CO 0.88 -1.83 0.85 -2.27 0.00 0.00 0.00 173.10 170.73 1sfr s LEU 152 N -4.07 4.49 0.00 0.66 0.20 -1.26 -4.64 118.68 114.06 1sfr s LEU 152 Ca 0.42 -0.75 0.29 0.00 0.69 0.00 0.00 54.13 54.79 1sfr s LEU 152 Cb -0.00 -2.58 1.31 0.00 -0.43 0.00 0.00 46.19 44.49 1sfr s LEU 152 CO 0.24 -1.19 1.91 0.18 -0.29 0.00 0.00 176.35 177.20 1sfr n LEU 153 N 7.12 0.38 -2.80 -0.68 4.77 -1.26 -3.93 117.00 120.61 1sfr n LEU 153 Ca -0.03 0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.81 1sfr n LEU 153 Cb 0.46 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1sfr n LEU 153 CO 0.61 0.07 -0.03 -0.90 -1.33 0.00 0.00 177.39 175.81 1sfr n ASP 154 N -0.99 2.54 -0.21 -1.43 5.68 -1.26 -1.26 116.55 119.62 1sfr n ASP 154 Ca 0.15 -3.18 0.31 0.00 -0.50 0.00 0.00 54.79 51.57 1sfr n ASP 154 Cb 0.26 -0.54 0.72 0.00 -1.14 0.00 0.00 41.12 40.42 1sfr n ASP 154 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1sfr h PRO 155 N 2.90 0.00 -0.01 0.11 0.13 -1.88 0.15 132.00 133.41 1sfr h PRO 155 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1sfr h PRO 155 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1sfr h PRO 155 CO 0.63 0.00 -0.17 -1.13 -0.23 0.00 0.00 178.00 177.11 1sfr n SER 156 N -4.00 1.21 -4.79 1.44 3.41 -1.26 -1.71 113.62 107.91 1sfr n SER 156 Ca 0.21 -1.11 -0.26 0.00 -0.26 0.00 0.00 58.87 57.45 1sfr n SER 156 Cb 1.12 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 65.10 1sfr n SER 156 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1sfr s GLN 157 N -2.32 2.88 2.80 4.33 -1.52 0.04 -4.73 119.66 121.13 1sfr s GLN 157 Ca 0.29 -0.89 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 1sfr s GLN 157 Cb 0.20 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 1sfr s GLN 157 CO 0.45 0.48 0.00 0.00 -0.25 0.00 0.00 175.29 175.97 1sfr n ALA 158 N -0.37 0.00 1.07 6.09 0.00 -1.26 -0.18 120.51 125.87 1sfr n ALA 158 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1sfr n ALA 158 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.02 1sfr n ALA 158 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1sfr n MET 159 N 14.00 1.18 0.30 0.00 1.56 -1.26 -4.30 117.12 128.61 1sfr n MET 159 Ca 0.00 -0.16 -0.12 0.00 -0.27 0.00 0.00 57.70 57.15 1sfr n MET 159 Cb 0.00 -1.45 -0.06 0.00 2.15 0.00 0.00 33.22 33.86 1sfr n MET 159 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 1sfr h GLY 160 N 5.12 -0.82 1.97 -5.12 0.00 -0.78 -2.08 103.07 101.36 1sfr h GLY 160 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1sfr h GLY 160 CO 0.02 -0.30 0.01 -0.56 0.00 0.00 0.00 176.54 175.72 1sfr h PRO 161 N -1.02 0.00 -0.10 4.80 0.13 -1.52 -0.81 132.00 133.48 1sfr h PRO 161 Ca -0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1sfr h PRO 161 Cb 0.60 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1sfr h PRO 161 CO 0.13 0.00 -0.13 1.15 -0.23 0.00 0.00 178.00 178.92 1sfr h THR 162 N 0.00 1.38 -0.03 1.56 2.02 -1.81 -2.41 112.91 113.62 1sfr h THR 162 Ca 0.00 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.83 1sfr h THR 162 Cb 0.03 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1sfr h THR 162 CO -0.00 0.38 0.01 -0.07 0.37 0.00 0.00 175.52 176.21 1sfr h LEU 163 N -0.16 0.04 -1.10 2.58 3.38 -0.47 -1.86 115.31 117.72 1sfr h LEU 163 Ca 0.01 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 57.96 1sfr h LEU 163 Cb 0.68 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1sfr h LEU 163 CO 0.03 0.20 0.61 0.40 0.09 0.00 0.00 178.44 179.77 1sfr h ILE 164 N -0.13 0.82 -0.11 1.22 1.08 -1.31 0.11 117.51 119.20 1sfr h ILE 164 Ca 0.01 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1sfr h ILE 164 Cb 0.17 -0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 33.84 1sfr h ILE 164 CO -0.00 0.15 0.03 1.23 -0.69 0.00 0.00 178.15 178.87 1sfr h GLY 165 N 0.83 0.18 1.00 5.37 0.00 -1.13 -1.21 103.07 108.12 1sfr h GLY 165 Ca 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1sfr h GLY 165 CO -0.28 0.10 -0.22 1.41 0.00 0.00 0.00 176.54 177.55 1sfr h LEU 166 N -0.01 -0.53 -0.47 3.11 3.38 -0.37 -1.74 115.31 118.68 1sfr h LEU 166 Ca 0.03 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1sfr h LEU 166 Cb 0.22 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1sfr h LEU 166 CO -0.00 -0.37 0.03 0.00 0.09 0.00 0.00 178.44 178.18 1sfr h ALA 167 N -0.09 0.46 -0.37 1.53 0.00 -0.85 -1.04 119.26 118.91 1sfr h ALA 167 Ca -0.06 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sfr h ALA 167 Cb 0.48 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1sfr h ALA 167 CO 0.11 -0.37 0.10 0.52 0.00 0.00 0.00 179.25 179.60 1sfr h MET 168 N 0.14 0.54 -0.13 0.00 2.86 -1.10 -0.40 114.93 116.85 1sfr h MET 168 Ca 0.23 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.61 1sfr h MET 168 Cb 0.34 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1sfr h MET 168 CO -0.36 0.49 -0.67 0.78 1.06 0.00 0.00 176.91 178.21 1sfr h GLY 169 N 0.75 0.56 0.12 8.32 0.00 -0.38 0.11 103.07 112.55 1sfr h GLY 169 Ca 0.13 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1sfr h GLY 169 CO -0.00 0.66 -0.09 1.34 0.00 0.00 0.00 176.54 178.45 1sfr n ASP 170 N -3.89 1.03 -3.21 0.19 -0.08 -0.48 -1.28 116.55 108.83 1sfr n ASP 170 Ca -0.04 -1.12 -0.26 0.00 -1.51 0.00 0.00 54.79 51.85 1sfr n ASP 170 Cb 0.68 0.02 -0.06 0.00 2.34 0.00 0.00 41.12 44.10 1sfr n ASP 170 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sfr n ALA 171 N -0.37 4.03 0.00 -1.67 0.00 -0.19 -4.73 120.51 117.59 1sfr n ALA 171 Ca 0.17 -4.55 0.00 0.00 0.00 0.00 0.00 53.44 49.06 1sfr n ALA 171 Cb 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1sfr n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfr n GLY 172 N 0.44 0.76 2.68 0.00 0.00 -1.26 -4.44 105.19 103.37 1sfr n GLY 172 Ca 0.29 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.16 1sfr n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 173 N -0.98 -0.06 3.88 -0.02 0.00 -0.41 -1.45 105.19 106.14 1sfr n GLY 173 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1sfr n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sfr s TYR 174 N -3.05 3.43 -0.32 1.61 1.51 0.36 -4.30 117.35 116.59 1sfr s TYR 174 Ca 0.27 0.91 -0.12 0.00 -1.01 0.00 0.00 57.07 57.11 1sfr s TYR 174 Cb -0.12 -2.30 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 1sfr s TYR 174 CO 0.33 0.18 0.24 0.21 -1.11 0.00 0.00 175.55 175.40 1sfr s LYS 175 N -3.10 3.69 0.39 -0.62 2.20 -1.26 -2.74 119.74 118.30 1sfr s LYS 175 Ca 0.48 -0.48 0.13 0.00 -0.36 0.00 0.00 55.97 55.74 1sfr s LYS 175 Cb -0.11 -3.75 0.94 0.00 -1.51 0.00 0.00 37.83 33.40 1sfr s LYS 175 CO 0.23 -0.35 1.87 0.00 -0.36 0.00 0.00 175.35 176.75 1sfr h ALA 176 N 8.43 1.99 0.00 3.13 0.00 -1.88 -0.86 119.26 130.07 1sfr h ALA 176 Ca -0.33 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sfr h ALA 176 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1sfr h ALA 176 CO 0.61 -0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.49 1sfr n SER 177 N -4.54 0.65 0.13 0.00 3.41 -1.26 -1.65 113.62 110.36 1sfr n SER 177 Ca 0.18 0.72 0.05 0.00 -0.26 0.00 0.00 58.87 59.55 1sfr n SER 177 Cb 0.55 -0.83 0.03 0.00 -0.26 0.00 0.00 64.21 63.70 1sfr n SER 177 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sfr h ASP 178 N 0.00 0.00 0.00 4.04 3.32 -1.46 -2.45 116.42 119.87 1sfr h ASP 178 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sfr h ASP 178 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1sfr h ASP 178 CO 0.00 0.37 0.00 0.80 -1.72 0.00 0.00 179.24 178.69 1sfr n MET 179 N -3.08 0.00 -0.50 3.56 1.56 -0.66 -1.35 117.12 116.65 1sfr n MET 179 Ca -0.00 0.46 0.05 0.00 -0.27 0.00 0.00 57.70 57.94 1sfr n MET 179 Cb 0.70 -0.96 0.23 0.00 2.15 0.00 0.00 33.22 35.34 1sfr n MET 179 CO 0.00 0.00 0.00 0.91 -0.73 0.00 0.00 175.97 176.15 1sfr n TRP 180 N -2.04 0.89 -4.72 1.12 8.01 -1.12 -2.55 117.44 117.04 1sfr n TRP 180 Ca 0.00 -1.09 0.00 0.00 -1.31 0.00 0.00 57.50 55.10 1sfr n TRP 180 Cb 0.00 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 28.95 1sfr n TRP 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sfr n GLY 181 N -0.79 -0.77 3.63 6.99 0.00 -0.92 -4.36 105.19 108.98 1sfr n GLY 181 Ca 0.24 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1sfr n GLY 181 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sfr n PRO 182 N -0.97 0.44 -0.35 1.61 -0.02 -1.26 -4.36 135.00 130.08 1sfr n PRO 182 Ca 0.00 0.21 0.29 0.00 -2.02 0.00 0.00 63.50 61.98 1sfr n PRO 182 Cb 0.00 -2.27 0.54 0.00 -0.02 0.00 0.00 33.50 31.75 1sfr n PRO 182 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1sfr h LYS 183 N -0.40 0.19 -0.65 -0.52 3.64 -1.99 0.96 116.57 117.80 1sfr h LYS 183 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1sfr h LYS 183 Cb 1.32 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1sfr h LYS 183 CO 0.47 0.12 0.00 -0.85 -2.27 0.00 0.00 179.45 176.92 1sfr n GLU 184 N -5.01 3.48 -2.90 1.90 0.00 -1.26 -4.85 120.64 112.00 1sfr n GLU 184 Ca 0.34 -2.25 -0.39 0.00 0.00 0.00 0.00 57.16 54.86 1sfr n GLU 184 Cb 1.15 -1.90 -0.06 0.00 0.00 0.00 0.00 31.44 30.63 1sfr n GLU 184 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1sfr s ASP 185 N -0.69 7.46 0.52 -1.84 -1.08 0.33 -4.95 116.67 116.42 1sfr s ASP 185 Ca 0.40 1.75 0.31 0.00 -0.52 0.00 0.00 52.55 54.48 1sfr s ASP 185 Cb 0.28 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 40.64 1sfr s ASP 185 CO 0.15 0.17 1.87 1.55 0.52 0.00 0.00 175.17 179.43 1sfr h PRO 186 N 4.14 0.05 -0.46 4.34 0.13 -1.88 -1.88 132.00 136.45 1sfr h PRO 186 Ca -0.46 -0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1sfr h PRO 186 Cb 1.20 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1sfr h PRO 186 CO 0.67 0.03 0.38 0.00 -0.23 0.00 0.00 178.00 178.85 1sfr h ALA 187 N 1.54 2.30 0.19 -0.56 0.00 -1.93 -2.10 119.26 118.71 1sfr h ALA 187 Ca 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1sfr h ALA 187 Cb 1.74 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1sfr h ALA 187 CO -0.03 -0.62 -0.09 -1.49 0.00 0.00 0.00 179.25 177.01 1sfr h TRP 188 N 0.00 -0.24 0.00 0.00 4.06 -1.53 -2.67 115.95 115.57 1sfr h TRP 188 Ca 0.22 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.13 1sfr h TRP 188 Cb 0.98 0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 29.22 1sfr h TRP 188 CO 0.00 0.09 -0.15 1.96 -3.56 0.00 0.00 178.44 176.79 1sfr h GLN 189 N -0.60 0.00 -0.51 0.49 4.20 -1.67 -2.53 115.11 114.49 1sfr h GLN 189 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1sfr h GLN 189 Cb 0.44 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1sfr h GLN 189 CO 0.04 0.15 0.27 -0.09 -0.67 0.00 0.00 178.83 178.53 1sfr h ARG 190 N 0.00 0.71 -0.88 1.46 1.12 -1.30 -2.70 114.38 112.80 1sfr h ARG 190 Ca -0.00 -0.09 -0.28 0.00 -1.11 0.00 0.00 59.98 58.50 1sfr h ARG 190 Cb 0.63 -0.14 -0.17 0.00 -0.01 0.00 0.00 29.97 30.28 1sfr h ARG 190 CO 0.02 0.57 0.36 0.09 -3.11 0.00 0.00 179.97 177.89 1sfr n ASN 191 N -4.63 4.08 -4.23 -3.80 3.02 -0.97 -4.81 115.26 103.91 1sfr n ASN 191 Ca 0.02 -3.14 -0.41 0.00 -0.03 0.00 0.00 54.58 51.02 1sfr n ASN 191 Cb 0.09 -0.74 -0.09 0.00 -0.61 0.00 0.00 39.78 38.44 1sfr n ASN 191 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sfr s ASP 192 N -0.81 5.72 0.26 6.41 -1.08 -1.02 -4.81 116.67 121.35 1sfr s ASP 192 Ca 0.46 -1.80 -0.01 0.00 -0.52 0.00 0.00 52.55 50.68 1sfr s ASP 192 Cb 0.38 -2.02 0.53 0.00 -1.46 0.00 0.00 42.92 40.35 1sfr s ASP 192 CO 0.10 -0.67 1.74 -0.65 0.52 0.00 0.00 175.17 176.22 1sfr h PRO 193 N 8.47 0.51 -0.52 4.34 0.11 -1.86 -1.66 132.00 141.39 1sfr h PRO 193 Ca -0.22 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.93 1sfr h PRO 193 Cb 1.08 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.01 1sfr h PRO 193 CO 0.85 0.34 0.18 1.25 -0.21 0.00 0.00 178.00 180.41 1sfr h LEU 194 N 0.52 0.18 0.00 2.35 6.46 -1.56 0.13 115.31 123.40 1sfr h LEU 194 Ca 0.46 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.28 1sfr h LEU 194 Cb 0.70 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.68 1sfr h LEU 194 CO -0.40 0.13 0.00 0.18 -0.62 0.00 0.00 178.44 177.72 1sfr n LEU 195 N -5.01 0.00 0.00 2.25 4.77 -0.65 -2.93 117.00 115.43 1sfr n LEU 195 Ca 0.06 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1sfr n LEU 195 Cb 0.22 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sfr n LEU 195 CO 0.24 -0.06 0.42 0.59 -1.33 0.00 0.00 177.39 177.25 1sfr n ASN 196 N -1.22 1.57 -0.06 -1.43 3.02 -0.01 -4.76 115.26 112.37 1sfr n ASN 196 Ca 0.12 -1.71 0.24 0.00 -0.03 0.00 0.00 54.58 53.20 1sfr n ASN 196 Cb 0.15 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.04 1sfr n ASN 196 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1sfr h VAL 197 N 0.39 0.49 -0.30 2.41 3.04 -0.72 0.45 116.25 122.02 1sfr h VAL 197 Ca 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 1sfr h VAL 197 Cb 0.49 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1sfr h VAL 197 CO 0.00 0.00 0.21 1.23 -1.01 0.00 0.00 177.57 178.00 1sfr h GLY 198 N 0.00 0.05 1.22 3.17 0.00 -1.85 -1.25 103.07 104.41 1sfr h GLY 198 Ca 0.32 -0.02 -0.27 0.00 0.00 0.00 0.00 47.33 47.37 1sfr h GLY 198 CO -0.00 0.01 -1.04 0.50 0.00 0.00 0.00 176.54 176.01 1sfr h LYS 199 N 0.04 0.70 -0.87 4.80 1.57 -1.29 -0.84 116.57 120.68 1sfr h LYS 199 Ca 0.14 -0.75 -0.03 0.00 -1.87 0.00 0.00 60.65 58.14 1sfr h LYS 199 Cb 0.51 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1sfr h LYS 199 CO -0.01 1.32 0.43 -0.07 -0.57 0.00 0.00 179.45 180.56 1sfr h LEU 200 N 0.40 1.12 -0.28 2.94 3.38 -1.34 0.14 115.31 121.67 1sfr h LEU 200 Ca -0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1sfr h LEU 200 Cb 1.69 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1sfr h LEU 200 CO 0.20 0.93 -0.07 0.40 0.09 0.00 0.00 178.44 179.99 1sfr h ILE 201 N 1.23 1.28 -0.65 1.22 2.04 -1.25 -1.56 117.51 119.83 1sfr h ILE 201 Ca 0.30 -1.10 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 1sfr h ILE 201 Cb 0.10 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1sfr h ILE 201 CO -0.04 0.35 0.07 0.00 0.00 0.00 0.00 178.15 178.53 1sfr h ALA 202 N 0.77 0.90 -0.11 1.87 0.00 -0.69 -2.38 119.26 119.62 1sfr h ALA 202 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1sfr h ALA 202 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sfr h ALA 202 CO 0.03 0.67 0.00 0.09 0.00 0.00 0.00 179.25 180.04 1sfr n ASN 203 N -4.20 0.95 -4.20 0.00 3.02 0.46 -4.90 115.26 106.39 1sfr n ASN 203 Ca 0.04 -1.66 -0.33 0.00 -0.03 0.00 0.00 54.58 52.61 1sfr n ASN 203 Cb 0.31 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 1sfr n ASN 203 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sfr n ASN 204 N -0.13 -1.33 -4.75 6.41 5.15 -0.85 -4.89 115.26 114.88 1sfr n ASN 204 Ca 0.14 -1.09 -0.41 0.00 -0.60 0.00 0.00 54.58 52.62 1sfr n ASN 204 Cb 0.20 -2.48 -0.03 0.00 -0.53 0.00 0.00 39.78 36.94 1sfr n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1sfr s THR 205 N -3.72 3.32 -0.14 -0.44 2.01 -0.65 -4.97 115.64 111.06 1sfr s THR 205 Ca 0.37 1.25 -0.29 0.00 0.31 0.00 0.00 61.69 63.33 1sfr s THR 205 Cb -0.21 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1sfr s THR 205 CO 0.94 0.27 1.10 -0.60 -0.69 0.00 0.00 174.62 175.64 1sfr s ARG 206 N -1.14 4.33 -0.07 4.92 3.00 0.15 -4.78 118.95 125.36 1sfr s ARG 206 Ca 0.48 1.50 0.05 0.00 -1.00 0.00 0.00 55.73 56.76 1sfr s ARG 206 Cb -0.34 -3.61 -0.01 0.00 0.00 0.00 0.00 34.95 30.99 1sfr s ARG 206 CO 0.42 -0.49 -0.24 0.08 0.00 0.00 0.00 175.30 175.07 1sfr s VAL 207 N 2.62 2.08 -0.19 7.11 1.01 -0.99 -0.24 120.40 131.80 1sfr s VAL 207 Ca 0.50 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1sfr s VAL 207 Cb -0.19 -1.77 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1sfr s VAL 207 CO 0.15 0.57 -0.09 0.86 0.00 0.00 0.00 175.10 176.59 1sfr s TRP 208 N 0.03 2.22 -0.11 5.22 -0.11 -0.01 0.79 118.94 126.97 1sfr s TRP 208 Ca -0.09 -1.45 0.02 0.00 1.22 0.00 0.00 56.10 55.80 1sfr s TRP 208 Cb -0.15 -1.55 0.01 0.00 -1.50 0.00 0.00 33.47 30.28 1sfr s TRP 208 CO 0.06 -0.71 -0.18 0.08 -4.62 0.00 0.00 176.95 171.58 1sfr s VAL 209 N 1.46 1.69 0.07 5.86 1.01 0.31 -0.72 120.40 130.09 1sfr s VAL 209 Ca -0.01 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1sfr s VAL 209 Cb -0.16 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1sfr s VAL 209 CO -0.08 0.48 -0.17 -0.47 0.00 0.00 0.00 175.10 174.86 1sfr s TYR 210 N 0.80 1.49 -0.29 5.22 5.04 -0.37 -0.55 117.35 128.70 1sfr s TYR 210 Ca -0.10 -0.40 -0.17 0.00 -2.44 0.00 0.00 57.07 53.96 1sfr s TYR 210 Cb -0.16 -0.85 0.13 0.00 0.35 0.00 0.00 41.96 41.43 1sfr s TYR 210 CO 0.01 0.10 0.92 0.00 -1.34 0.00 0.00 175.55 175.24 1sfr n GLY 212 N 3.65 -1.60 0.71 0.00 0.00 -1.26 -4.06 105.19 102.62 1sfr n GLY 212 Ca -0.18 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.22 1sfr n GLY 212 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sfr n ASN 213 N -3.85 3.10 0.00 1.61 6.94 -1.14 -4.65 115.26 117.26 1sfr n ASN 213 Ca 0.15 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 1sfr n ASN 213 Cb 0.51 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 1sfr n ASN 213 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sfr n GLY 214 N 0.48 3.06 3.58 4.83 0.00 -0.36 -4.46 105.19 112.33 1sfr n GLY 214 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1sfr n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfr s LYS 215 N -0.31 3.69 0.95 1.61 1.02 -1.23 -4.30 119.74 121.16 1sfr s LYS 215 Ca 0.00 0.23 -0.11 0.00 0.02 0.00 0.00 55.97 56.11 1sfr s LYS 215 Cb 0.00 -3.83 0.16 0.00 -0.52 0.00 0.00 37.83 33.64 1sfr s LYS 215 CO 0.00 -0.91 1.10 -1.25 -0.92 0.00 0.00 175.35 173.37 1sfr s PRO 216 N 3.15 0.79 0.00 -1.68 0.04 -1.26 -1.32 135.00 134.72 1sfr s PRO 216 Ca 0.31 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1sfr s PRO 216 Cb -0.13 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1sfr s PRO 216 CO 0.18 -2.67 0.00 -1.13 0.04 0.00 0.00 177.00 173.42 1sfr n SER 217 N -4.22 0.00 -0.04 6.66 3.41 -1.26 -4.75 113.62 113.41 1sfr n SER 217 Ca 0.08 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.61 1sfr n SER 217 Cb 0.53 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.57 1sfr n SER 217 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sfr h ASP 218 N 0.00 0.70 -0.63 4.04 5.19 -2.03 -3.05 116.42 120.64 1sfr h ASP 218 Ca 0.00 -0.29 0.18 0.00 -0.62 0.00 0.00 57.03 56.30 1sfr h ASP 218 Cb 0.00 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.29 1sfr h ASP 218 CO 0.00 0.98 0.50 -0.07 -3.12 0.00 0.00 179.24 177.53 1sfr h LEU 219 N 0.57 0.00 0.00 1.55 3.38 -2.00 -3.48 115.31 115.33 1sfr h LEU 219 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sfr h LEU 219 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1sfr h LEU 219 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1sfr n GLY 220 N -1.63 -0.08 3.07 0.83 0.00 -1.15 -4.89 105.19 101.34 1sfr n GLY 220 Ca 0.12 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 1sfr n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 221 N 0.00 -0.76 3.19 -0.02 0.00 -1.26 -4.31 105.19 102.03 1sfr n GLY 221 Ca 0.00 0.38 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 1sfr n GLY 221 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sfr s ASN 222 N -3.55 6.16 0.04 1.61 2.47 -1.26 -4.71 114.94 115.70 1sfr s ASN 222 Ca 0.31 -3.26 -0.09 0.00 0.42 0.00 0.00 52.86 50.24 1sfr s ASN 222 Cb -0.04 -2.00 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 1sfr s ASN 222 CO 0.65 -0.33 0.18 0.54 -3.72 0.00 0.00 177.10 174.43 1sfr s ASN 223 N 0.79 0.05 0.14 -4.21 2.20 -1.26 -5.06 114.94 107.58 1sfr s ASN 223 Ca 0.23 -0.37 -0.24 0.00 -0.94 0.00 0.00 52.86 51.53 1sfr s ASN 223 Cb -0.12 0.28 0.00 0.00 -2.00 0.00 0.00 41.25 39.41 1sfr s ASN 223 CO -0.08 -0.55 1.62 0.25 -2.94 0.00 0.00 177.10 175.40 1sfr h LEU 224 N 3.50 -0.90 -0.47 3.54 5.85 -1.98 -0.87 115.31 123.98 1sfr h LEU 224 Ca -0.32 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.64 1sfr h LEU 224 Cb 1.19 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 42.52 1sfr h LEU 224 CO 0.48 -0.32 -0.24 -0.65 -0.34 0.00 0.00 178.44 177.36 1sfr h PRO 225 N -0.33 -0.14 -0.56 5.25 0.11 -1.99 0.25 132.00 134.59 1sfr h PRO 225 Ca 0.11 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1sfr h PRO 225 Cb 0.51 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1sfr h PRO 225 CO -0.37 -0.09 0.11 0.00 -0.21 0.00 0.00 178.00 177.44 1sfr h ALA 226 N 1.12 0.75 0.31 -0.75 0.00 -1.78 -1.89 119.26 117.01 1sfr h ALA 226 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sfr h ALA 226 Cb 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1sfr h ALA 226 CO -0.55 0.47 -0.15 0.87 0.00 0.00 0.00 179.25 179.89 1sfr h LYS 227 N 0.82 -0.39 0.06 0.00 1.57 -0.42 -1.12 116.57 117.08 1sfr h LYS 227 Ca 0.17 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1sfr h LYS 227 Cb 0.38 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1sfr h LYS 227 CO 0.01 -0.14 -0.03 0.35 -0.57 0.00 0.00 179.45 179.07 1sfr h PHE 228 N -0.60 -0.07 -0.94 -1.35 3.57 -0.54 -2.28 116.94 114.72 1sfr h PHE 228 Ca -0.04 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.64 1sfr h PHE 228 Cb 0.44 0.02 -0.17 0.00 2.79 0.00 0.00 35.95 39.03 1sfr h PHE 228 CO -0.01 -0.04 -0.26 -0.11 -2.23 0.00 0.00 178.31 175.66 1sfr n LEU 229 N -2.23 -0.38 0.20 0.59 7.94 -0.71 -0.24 117.00 122.16 1sfr n LEU 229 Ca -0.01 1.62 -0.15 0.00 -1.11 0.00 0.00 56.01 56.36 1sfr n LEU 229 Cb 0.03 -0.47 -0.08 0.00 0.53 0.00 0.00 43.42 43.44 1sfr n LEU 229 CO 0.02 -1.53 0.74 -0.08 -1.11 0.00 0.00 177.39 175.43 1sfr h GLU 230 N 0.00 -0.47 0.00 1.96 4.57 -1.51 -1.19 114.58 117.95 1sfr h GLU 230 Ca 0.43 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.64 1sfr h GLU 230 Cb 0.66 0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1sfr h GLU 230 CO -0.96 -0.31 -0.01 0.78 -1.18 0.00 0.00 179.01 177.33 1sfr h GLY 231 N -0.49 0.00 0.47 1.92 0.00 -0.11 -1.93 103.07 102.94 1sfr h GLY 231 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1sfr h GLY 231 CO 0.04 0.00 -0.18 -2.75 0.00 0.00 0.00 176.54 173.66 1sfr h PHE 232 N 0.00 -0.46 0.00 5.60 3.57 -0.09 -3.27 116.94 122.29 1sfr h PHE 232 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sfr h PHE 232 Cb 0.02 0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1sfr h PHE 232 CO 0.00 -0.17 0.00 1.55 -2.23 0.00 0.00 178.31 177.46 1sfr n VAL 233 N -5.12 1.20 -0.23 1.41 3.14 -0.50 -3.00 118.33 115.24 1sfr n VAL 233 Ca -0.08 0.30 -0.08 0.00 -2.96 0.00 0.00 64.34 61.52 1sfr n VAL 233 Cb 0.25 -1.16 0.05 0.00 -1.06 0.00 0.00 33.84 31.93 1sfr n VAL 233 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1sfr h ARG 234 N 0.00 1.09 -0.34 1.45 2.43 -1.40 -3.15 114.38 114.45 1sfr h ARG 234 Ca 0.00 -0.29 0.08 0.00 -0.81 0.00 0.00 59.98 58.95 1sfr h ARG 234 Cb 0.12 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 1sfr h ARG 234 CO 0.00 1.00 -0.22 1.15 -1.51 0.00 0.00 179.97 180.40 1sfr h THR 235 N 1.02 0.41 -0.39 0.20 2.02 -1.73 -0.66 112.91 113.77 1sfr h THR 235 Ca 0.20 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1sfr h THR 235 Cb 0.45 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1sfr h THR 235 CO 0.01 0.00 0.17 0.77 0.37 0.00 0.00 175.52 176.85 1sfr h SER 236 N -0.17 0.49 -0.56 4.18 4.64 -1.78 -1.46 113.55 118.89 1sfr h SER 236 Ca 0.17 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 1sfr h SER 236 Cb 0.44 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1sfr h SER 236 CO -0.45 0.44 0.12 0.78 -0.87 0.00 0.00 176.83 176.85 1sfr h ASN 237 N 0.55 0.90 -0.33 4.97 2.35 -1.12 -0.38 115.58 122.53 1sfr h ASN 237 Ca 0.14 -0.19 -0.18 0.00 -0.55 0.00 0.00 56.30 55.53 1sfr h ASN 237 Cb 0.09 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1sfr h ASN 237 CO -0.02 0.89 -0.48 0.40 -1.65 0.00 0.00 177.43 176.57 1sfr h ILE 238 N 0.91 1.27 -0.91 2.81 2.04 -0.70 -2.05 117.51 120.88 1sfr h ILE 238 Ca 0.19 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1sfr h ILE 238 Cb 0.36 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1sfr h ILE 238 CO 0.00 0.55 0.58 0.11 0.00 0.00 0.00 178.15 179.39 1sfr h LYS 239 N 0.71 1.22 -0.61 2.37 1.57 -0.88 -0.78 116.57 120.18 1sfr h LYS 239 Ca 0.03 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1sfr h LYS 239 Cb 1.09 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1sfr h LYS 239 CO 0.11 0.84 0.27 0.35 -0.57 0.00 0.00 179.45 180.45 1sfr h PHE 240 N 1.25 0.89 0.18 -1.35 3.04 -0.92 -0.45 116.94 119.58 1sfr h PHE 240 Ca 0.33 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 1sfr h PHE 240 Cb -0.10 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.14 1sfr h PHE 240 CO -0.00 0.69 -0.09 0.37 -2.02 0.00 0.00 178.31 177.26 1sfr h GLN 241 N 0.83 -0.23 -0.54 1.11 4.15 -0.61 0.17 115.11 119.99 1sfr h GLN 241 Ca 0.21 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.68 1sfr h GLN 241 Cb 0.15 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.85 1sfr h GLN 241 CO -0.02 -0.12 0.31 -0.44 -1.93 0.00 0.00 178.83 176.62 1sfr h ASP 242 N -0.28 0.48 -0.83 -0.69 3.32 -1.04 0.56 116.42 117.94 1sfr h ASP 242 Ca -0.02 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1sfr h ASP 242 Cb 0.22 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1sfr h ASP 242 CO 0.04 0.33 0.54 0.00 -1.72 0.00 0.00 179.24 178.43 1sfr h ALA 243 N 1.26 1.05 -0.27 3.45 0.00 -0.82 0.38 119.26 124.32 1sfr h ALA 243 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sfr h ALA 243 Cb 0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1sfr h ALA 243 CO -0.13 0.48 0.09 -0.92 0.00 0.00 0.00 179.25 178.77 1sfr h TYR 244 N 1.13 0.43 -0.19 0.00 3.20 0.17 -1.22 116.97 120.48 1sfr h TYR 244 Ca 0.30 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1sfr h TYR 244 Cb -0.11 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1sfr h TYR 244 CO -0.01 0.46 -0.06 -0.91 -1.64 0.00 0.00 178.16 176.00 1sfr h ASN 245 N 0.28 0.39 -0.16 -2.11 2.35 -0.55 0.71 115.58 116.48 1sfr h ASN 245 Ca 0.09 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1sfr h ASN 245 Cb 0.23 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1sfr h ASN 245 CO -0.00 0.68 0.10 0.00 -1.65 0.00 0.00 177.43 176.56 1sfr h ALA 246 N 0.72 1.87 -0.15 -0.83 0.00 -0.22 -0.92 119.26 119.73 1sfr h ALA 246 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sfr h ALA 246 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sfr h ALA 246 CO 0.02 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1sfr n GLY 247 N -1.49 1.90 2.37 0.00 0.00 -0.47 -4.84 105.19 102.65 1sfr n GLY 247 Ca -0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 1sfr n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 248 N 0.17 0.96 3.68 -0.02 0.00 -0.35 -4.95 105.19 104.68 1sfr n GLY 248 Ca 0.07 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1sfr n GLY 248 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfr s GLY 249 N -2.70 1.88 0.31 -0.02 0.00 0.23 -5.01 107.32 102.00 1sfr s GLY 249 Ca 0.00 0.62 0.11 0.00 0.00 0.00 0.00 44.72 45.45 1sfr s GLY 249 CO 0.00 2.40 -0.15 -2.38 0.00 0.00 0.00 173.10 172.96 1sfr s HIS 250 N 2.76 2.34 0.00 1.90 -3.43 -1.26 -4.56 115.29 113.04 1sfr s HIS 250 Ca 0.58 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 1sfr s HIS 250 Cb -0.25 -1.18 0.00 0.00 -1.43 0.00 0.00 32.58 29.72 1sfr s HIS 250 CO 0.20 0.66 0.00 -1.71 -2.00 0.00 0.00 174.74 171.89 1sfr n ASN 251 N -0.70 -1.74 -3.86 7.38 5.15 -1.26 -4.88 115.26 115.35 1sfr n ASN 251 Ca -0.05 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.82 1sfr n ASN 251 Cb 0.62 -0.43 -0.11 0.00 -0.53 0.00 0.00 39.78 39.32 1sfr n ASN 251 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1sfr s GLY 252 N -2.83 0.01 -0.04 8.20 0.00 -1.26 -2.35 107.32 109.04 1sfr s GLY 252 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 44.72 44.80 1sfr s GLY 252 CO 0.00 -0.09 -0.24 0.14 0.00 0.00 0.00 173.10 172.91 1sfr s VAL 253 N -0.90 2.17 -0.09 1.40 1.01 0.24 -4.96 120.40 119.27 1sfr s VAL 253 Ca -0.10 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1sfr s VAL 253 Cb -0.06 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1sfr s VAL 253 CO 0.01 0.57 -0.09 -0.36 0.00 0.00 0.00 175.10 175.23 1sfr s PHE 254 N -0.38 1.43 -0.30 5.22 0.08 -1.26 -0.53 117.98 122.24 1sfr s PHE 254 Ca 0.03 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.47 1sfr s PHE 254 Cb -0.12 -1.14 0.08 0.00 -0.57 0.00 0.00 43.02 41.27 1sfr s PHE 254 CO 0.02 -0.41 -0.01 0.34 -0.10 0.00 0.00 175.22 175.05 1sfr s ASP 255 N 1.31 4.52 -0.58 1.36 3.68 0.29 -5.00 116.67 122.26 1sfr s ASP 255 Ca -0.03 -1.77 0.06 0.00 2.13 0.00 0.00 52.55 52.94 1sfr s ASP 255 Cb -0.14 -1.51 0.21 0.00 -1.45 0.00 0.00 42.92 40.04 1sfr s ASP 255 CO -0.04 -0.30 0.57 0.49 0.13 0.00 0.00 175.17 176.02 1sfr n PHE 256 N 4.39 2.08 -1.17 -5.34 3.72 -1.26 -2.06 117.46 117.82 1sfr n PHE 256 Ca -0.04 -3.96 -0.29 0.00 -0.05 0.00 0.00 57.45 53.11 1sfr n PHE 256 Cb 0.42 -0.41 0.18 0.00 -0.94 0.00 0.00 39.48 38.73 1sfr n PHE 256 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1sfr s PRO 257 N -1.54 0.34 -0.28 -1.08 0.04 -1.26 -4.93 135.00 126.28 1sfr s PRO 257 Ca 0.33 0.47 0.01 0.00 0.04 0.00 0.00 61.00 61.86 1sfr s PRO 257 Cb 0.08 -1.73 0.30 0.00 0.04 0.00 0.00 34.50 33.19 1sfr s PRO 257 CO -0.11 -2.78 1.72 -0.25 0.04 0.00 0.00 177.00 175.61 1sfr n ASP 258 N -4.20 4.79 -3.42 6.66 8.00 -1.26 -3.79 116.55 123.32 1sfr n ASP 258 Ca 0.05 -2.96 -0.08 0.00 0.71 0.00 0.00 54.79 52.50 1sfr n ASP 258 Cb 0.57 -0.84 -0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1sfr n ASP 258 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sfr s SER 259 N -0.10 -0.05 0.00 -2.24 1.04 -1.26 -4.78 113.70 106.31 1sfr s SER 259 Ca 0.31 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1sfr s SER 259 Cb 0.26 0.77 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1sfr s SER 259 CO 0.03 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.38 1sfr n GLY 260 N -0.49 2.38 3.00 7.32 0.00 -0.43 -2.89 105.19 114.07 1sfr n GLY 260 Ca -0.05 -1.53 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 1sfr n GLY 260 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sfr n THR 261 N 1.73 0.00 -1.46 2.61 -2.24 -1.26 -1.22 114.28 112.44 1sfr n THR 261 Ca 0.00 -2.12 -0.40 0.00 -2.27 0.00 0.00 64.05 59.26 1sfr n THR 261 Cb 0.00 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1sfr n THR 261 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1sfr n HIS 262 N -0.82 2.84 -4.04 4.78 -0.00 -0.46 -4.84 115.22 112.68 1sfr n HIS 262 Ca -0.05 -2.85 -0.12 0.00 0.46 0.00 0.00 57.72 55.16 1sfr n HIS 262 Cb 0.55 -2.40 -0.12 0.00 -0.12 0.00 0.00 29.99 27.90 1sfr n HIS 262 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1sfr s SER 263 N 3.01 0.59 0.57 0.26 0.15 -1.26 -4.71 113.70 112.31 1sfr s SER 263 Ca 0.56 -0.44 0.28 0.00 0.70 0.00 0.00 55.95 57.05 1sfr s SER 263 Cb 0.15 0.04 1.49 0.00 -1.71 0.00 0.00 66.02 65.99 1sfr s SER 263 CO -0.06 -0.18 1.94 -0.50 1.20 0.00 0.00 173.24 175.65 1sfr h TRP 264 N 4.85 0.00 -0.15 3.44 4.06 -1.98 -2.63 115.95 123.53 1sfr h TRP 264 Ca -0.33 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.66 1sfr h TRP 264 Cb 1.20 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.32 1sfr h TRP 264 CO 0.60 0.00 -0.10 0.93 -3.56 0.00 0.00 178.44 176.32 1sfr h GLU 265 N 0.00 -0.09 -0.60 0.49 3.07 -1.91 -1.30 114.58 114.24 1sfr h GLU 265 Ca 0.23 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.99 1sfr h GLU 265 Cb 1.10 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 1sfr h GLU 265 CO -0.00 -0.06 -0.01 1.88 -1.40 0.00 0.00 179.01 179.42 1sfr h TYR 266 N -0.09 1.15 -0.57 4.33 0.05 -1.79 -2.54 116.97 117.50 1sfr h TYR 266 Ca 0.09 -0.20 -0.07 0.00 0.05 0.00 0.00 58.73 58.61 1sfr h TYR 266 Cb 0.23 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 1sfr h TYR 266 CO -0.23 1.01 0.08 -1.49 -1.05 0.00 0.00 178.16 176.48 1sfr h TRP 267 N 0.96 0.97 -0.07 4.88 6.55 -1.52 -2.26 115.95 125.47 1sfr h TRP 267 Ca 0.17 -0.12 -0.01 0.00 0.95 0.00 0.00 58.89 59.88 1sfr h TRP 267 Cb 0.56 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1sfr h TRP 267 CO 0.04 0.83 0.01 0.78 -1.05 0.00 0.00 178.44 179.06 1sfr h GLY 268 N 1.01 0.12 0.11 1.49 0.00 -1.13 -2.04 103.07 102.62 1sfr h GLY 268 Ca 0.18 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.50 1sfr h GLY 268 CO 0.01 0.07 -0.24 0.00 0.00 0.00 0.00 176.54 176.38 1sfr h ALA 269 N 0.78 -0.09 -0.10 3.60 0.00 -1.31 -1.93 119.26 120.21 1sfr h ALA 269 Ca 0.02 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1sfr h ALA 269 Cb 0.27 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1sfr h ALA 269 CO 0.00 -0.65 -0.42 1.96 0.00 0.00 0.00 179.25 180.14 1sfr h GLN 270 N -0.22 -0.49 -0.98 0.00 1.08 -1.30 0.03 115.11 113.23 1sfr h GLN 270 Ca 0.15 0.03 0.24 0.00 -1.45 0.00 0.00 58.65 57.63 1sfr h GLN 270 Cb 0.46 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.93 1sfr h GLN 270 CO -0.41 -0.33 0.65 1.25 -0.95 0.00 0.00 178.83 179.04 1sfr h LEU 271 N -0.51 0.36 0.42 1.46 5.85 -0.88 0.63 115.31 122.63 1sfr h LEU 271 Ca 0.07 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1sfr h LEU 271 Cb 0.63 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1sfr h LEU 271 CO -0.38 0.11 -0.20 -1.13 -0.34 0.00 0.00 178.44 176.50 1sfr h ASN 272 N 0.34 -0.47 -0.44 1.25 -0.00 -0.33 -3.19 115.58 112.74 1sfr h ASN 272 Ca 0.52 -0.11 0.13 0.00 -0.00 0.00 0.00 56.30 56.84 1sfr h ASN 272 Cb 1.43 0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 39.85 1sfr h ASN 272 CO -0.20 -0.09 0.42 0.00 -0.00 0.00 0.00 177.43 177.56 1sfr h ALA 273 N -0.56 2.20 -0.57 1.57 0.00 0.84 -1.74 119.26 121.00 1sfr h ALA 273 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sfr h ALA 273 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sfr h ALA 273 CO 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.69 1sfr n MET 274 N -3.87 3.88 0.15 0.00 0.00 -0.52 -4.50 117.12 112.25 1sfr n MET 274 Ca 0.08 -2.71 -0.13 0.00 0.00 0.00 0.00 57.70 54.94 1sfr n MET 274 Cb 0.61 -1.97 -0.08 0.00 0.00 0.00 0.00 33.22 31.78 1sfr n MET 274 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1sfr h LYS 275 N 3.72 -0.37 -0.97 3.17 3.64 -1.36 -1.42 116.57 122.97 1sfr h LYS 275 Ca 0.00 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1sfr h LYS 275 Cb 1.53 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 33.37 1sfr h LYS 275 CO 0.30 -0.06 0.63 -1.00 -2.27 0.00 0.00 179.45 177.05 1sfr h PRO 276 N -0.70 1.13 -0.31 1.90 0.13 -1.82 -1.41 132.00 130.91 1sfr h PRO 276 Ca -0.04 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1sfr h PRO 276 Cb 0.48 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1sfr h PRO 276 CO 0.06 0.75 0.11 0.22 -0.23 0.00 0.00 178.00 178.91 1sfr h ASP 277 N 1.16 0.44 -0.87 1.44 3.58 -1.83 -0.87 116.42 119.48 1sfr h ASP 277 Ca 0.41 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 1sfr h ASP 277 Cb 0.12 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1sfr h ASP 277 CO -0.15 0.51 0.52 -0.07 -2.88 0.00 0.00 179.24 177.18 1sfr h LEU 278 N 0.35 1.05 -0.33 2.28 3.38 -0.74 -0.41 115.31 120.90 1sfr h LEU 278 Ca 0.10 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1sfr h LEU 278 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1sfr h LEU 278 CO -0.01 0.80 -0.05 1.56 0.09 0.00 0.00 178.44 180.83 1sfr h GLN 279 N 1.20 0.61 -0.33 1.13 4.20 -1.09 -0.53 115.11 120.30 1sfr h GLN 279 Ca 0.31 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 1sfr h GLN 279 Cb -0.05 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1sfr h GLN 279 CO -0.06 0.78 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.78 1sfr h ARG 280 N 0.40 0.51 0.00 1.46 2.43 -0.89 0.89 114.38 119.17 1sfr h ARG 280 Ca 0.09 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1sfr h ARG 280 Cb 0.54 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1sfr h ARG 280 CO 0.03 0.54 -0.58 0.00 -1.51 0.00 0.00 179.97 178.45 1sfr h ALA 281 N 1.51 0.68 0.00 2.80 0.00 -0.91 -3.41 119.26 119.93 1sfr h ALA 281 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1sfr h ALA 281 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1sfr h ALA 281 CO 0.01 0.63 -0.36 1.28 0.00 0.00 0.00 179.25 180.81 1sfr n LEU 282 N -3.19 0.89 0.00 0.00 4.77 -0.22 -5.05 117.00 114.21 1sfr n LEU 282 Ca 0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1sfr n LEU 282 Cb 0.74 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1sfr n LEU 282 CO 0.41 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1sfr n GLY 283 N 2.12 0.78 0.72 -0.72 0.00 0.31 -4.97 105.19 103.42 1sfr n GLY 283 Ca -0.05 -1.98 0.09 0.00 0.00 0.00 0.00 46.02 44.09 1sfr n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfr n ALA 284 N -1.00 -1.86 0.00 4.61 0.00 -1.26 -4.77 120.51 116.22 1sfr n ALA 284 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1sfr n ALA 284 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1sfr n ALA 284 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75