#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfr s PHE 1 N 0.00 3.77 0.25 0.00 0.08 -1.26 -0.40 117.98 120.42 1sfr s PHE 1 Ca 0.00 1.82 0.06 0.00 0.12 0.00 0.00 56.93 58.93 1sfr s PHE 1 Cb 0.00 -2.96 0.30 0.00 -0.57 0.00 0.00 43.02 39.78 1sfr s PHE 1 CO 0.00 0.23 1.59 0.77 -0.10 0.00 0.00 175.22 177.71 1sfr h SER 2 N 3.48 0.22 -5.00 1.36 0.02 -1.68 -3.46 113.55 108.48 1sfr h SER 2 Ca -0.46 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 60.27 1sfr h SER 2 Cb 1.20 -0.06 -0.19 0.00 0.14 0.00 0.00 62.40 63.48 1sfr h SER 2 CO 0.66 0.75 -0.09 -0.13 -1.14 0.00 0.00 176.83 176.88 1sfr s ARG 3 N -3.79 0.84 0.30 3.45 1.81 -1.26 -5.13 118.95 115.17 1sfr s ARG 3 Ca -0.04 -0.06 -0.29 0.00 -1.72 0.00 0.00 55.73 53.63 1sfr s ARG 3 Cb 0.12 0.38 -0.10 0.00 -0.45 0.00 0.00 34.95 34.91 1sfr s ARG 3 CO 0.79 -0.25 1.23 -1.25 -0.68 0.00 0.00 175.30 175.14 1sfr s PRO 4 N -1.42 4.46 0.00 3.54 0.04 -1.26 -3.07 135.00 137.29 1sfr s PRO 4 Ca -0.12 2.05 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1sfr s PRO 4 Cb -0.03 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1sfr s PRO 4 CO 0.05 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1sfr n GLY 5 N 1.09 1.47 3.31 0.56 0.00 -1.26 -5.03 105.19 105.32 1sfr n GLY 5 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1sfr n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sfr s LEU 6 N 0.00 2.09 0.00 0.99 1.43 -1.17 -5.05 118.68 116.97 1sfr s LEU 6 Ca 0.00 -0.50 0.22 0.00 -1.03 0.00 0.00 54.13 52.82 1sfr s LEU 6 Cb 0.00 -1.27 0.99 0.00 0.03 0.00 0.00 46.19 45.94 1sfr s LEU 6 CO 0.00 0.28 1.70 -0.81 0.23 0.00 0.00 176.35 177.75 1sfr n PRO 7 N 2.22 0.10 -2.25 1.29 -0.04 -1.26 -4.68 135.00 130.37 1sfr n PRO 7 Ca -0.16 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1sfr n PRO 7 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1sfr n PRO 7 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sfr s VAL 8 N -2.86 3.45 0.23 0.52 1.01 -1.26 -4.46 120.40 117.03 1sfr s VAL 8 Ca 0.14 1.09 0.11 0.00 0.00 0.00 0.00 61.98 63.32 1sfr s VAL 8 Cb 0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1sfr s VAL 8 CO 0.38 0.12 -0.20 -1.61 0.00 0.00 0.00 175.10 173.79 1sfr s GLU 9 N 0.63 1.52 -0.10 2.72 2.02 0.25 -1.87 118.70 123.87 1sfr s GLU 9 Ca 0.60 -1.63 0.04 0.00 0.02 0.00 0.00 54.97 54.00 1sfr s GLU 9 Cb -0.35 -1.60 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 1sfr s GLU 9 CO 0.33 0.31 -0.24 1.52 0.02 0.00 0.00 175.26 177.20 1sfr s TYR 10 N -2.34 2.54 0.23 1.61 -0.85 0.47 -0.12 117.35 118.88 1sfr s TYR 10 Ca 0.24 -1.03 0.10 0.00 -0.52 0.00 0.00 57.07 55.87 1sfr s TYR 10 Cb -0.05 -1.69 -0.05 0.00 0.38 0.00 0.00 41.96 40.55 1sfr s TYR 10 CO 0.11 -0.41 -0.18 -0.51 -1.52 0.00 0.00 175.55 173.05 1sfr s LEU 11 N 0.32 2.54 -0.48 -3.49 1.43 0.95 -2.09 118.68 117.87 1sfr s LEU 11 Ca -0.18 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 51.96 1sfr s LEU 11 Cb -0.18 -0.89 0.12 0.00 0.03 0.00 0.00 46.19 45.27 1sfr s LEU 11 CO 0.09 -0.05 0.21 -1.10 0.23 0.00 0.00 176.35 175.73 1sfr s GLN 12 N -3.40 1.88 -0.27 1.70 -1.52 -1.26 -0.68 119.66 116.12 1sfr s GLN 12 Ca 0.24 -2.41 -0.17 0.00 -1.95 0.00 0.00 55.36 51.07 1sfr s GLN 12 Cb -0.04 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.40 1sfr s GLN 12 CO 0.10 -1.07 0.48 0.08 -0.25 0.00 0.00 175.29 174.63 1sfr s VAL 13 N 0.06 5.10 0.33 1.09 1.01 -0.07 -4.83 120.40 123.09 1sfr s VAL 13 Ca 0.15 0.77 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 1sfr s VAL 13 Cb -0.24 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 1sfr s VAL 13 CO -0.02 0.09 1.35 -2.16 0.00 0.00 0.00 175.10 174.35 1sfr s PRO 14 N 2.25 4.31 -0.35 2.72 0.04 -1.26 0.55 135.00 143.25 1sfr s PRO 14 Ca 0.19 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.54 1sfr s PRO 14 Cb -0.16 -3.06 0.11 0.00 0.04 0.00 0.00 34.50 31.43 1sfr s PRO 14 CO 0.10 -0.26 0.10 0.45 0.04 0.00 0.00 177.00 177.42 1sfr s SER 15 N -0.35 4.35 0.20 6.66 0.15 0.13 -4.84 113.70 120.00 1sfr s SER 15 Ca 0.50 -2.07 -0.10 0.00 0.70 0.00 0.00 55.95 54.98 1sfr s SER 15 Cb -0.41 -1.28 0.19 0.00 -1.71 0.00 0.00 66.02 62.80 1sfr s SER 15 CO 0.54 -0.37 1.83 -0.65 1.20 0.00 0.00 173.24 175.79 1sfr h PRO 16 N 7.62 0.76 -0.06 5.44 0.11 -1.95 0.20 132.00 144.13 1sfr h PRO 16 Ca -0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1sfr h PRO 16 Cb 1.00 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1sfr h PRO 16 CO 0.51 0.50 -0.00 0.66 -0.21 0.00 0.00 178.00 179.46 1sfr h SER 17 N 0.78 0.08 -0.14 -2.05 4.64 -1.94 -2.30 113.55 112.61 1sfr h SER 17 Ca 0.27 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1sfr h SER 17 Cb 0.05 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1sfr h SER 17 CO -0.12 0.10 0.00 0.23 -0.87 0.00 0.00 176.83 176.17 1sfr n MET 18 N -4.48 1.71 -3.58 4.77 2.81 -0.93 -4.81 117.12 112.62 1sfr n MET 18 Ca -0.02 -1.71 -0.26 0.00 -1.81 0.00 0.00 57.70 53.89 1sfr n MET 18 Cb 0.12 -1.35 0.03 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.99 -0.51 3.82 3.03 0.00 0.67 -4.62 105.19 108.57 1sfr n GLY 19 Ca 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -6.27 1.42 -0.14 1.61 1.70 -0.97 -5.01 118.95 111.29 1sfr s ARG 20 Ca 0.53 -0.87 -0.15 0.00 -0.47 0.00 0.00 55.73 54.78 1sfr s ARG 20 Cb -0.26 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 1sfr s ARG 20 CO 0.66 -0.66 0.35 -0.51 -1.08 0.00 0.00 175.30 174.06 1sfr s ASP 21 N -3.17 6.52 -0.20 -2.89 1.11 -1.26 0.18 116.67 116.96 1sfr s ASP 21 Ca 0.17 0.62 -0.12 0.00 0.18 0.00 0.00 52.55 53.40 1sfr s ASP 21 Cb -0.03 -2.21 -0.05 0.00 1.07 0.00 0.00 42.92 41.70 1sfr s ASP 21 CO 0.05 0.09 0.21 -0.63 1.18 0.00 0.00 175.17 176.07 1sfr s ILE 22 N 0.40 5.34 0.42 0.77 -1.09 0.19 -4.85 121.20 122.38 1sfr s ILE 22 Ca 0.19 0.34 -0.24 0.00 -2.23 0.00 0.00 60.65 58.71 1sfr s ILE 22 Cb -0.14 -3.55 -0.08 0.00 -1.58 0.00 0.00 42.46 37.11 1sfr s ILE 22 CO 0.06 0.38 1.13 -0.75 -1.23 0.00 0.00 174.94 174.53 1sfr s LYS 23 N 0.71 4.01 -0.15 2.79 2.20 -1.26 -0.89 119.74 127.15 1sfr s LYS 23 Ca 0.11 1.72 -0.05 0.00 -0.36 0.00 0.00 55.97 57.40 1sfr s LYS 23 Cb -0.13 -2.56 0.07 0.00 -1.51 0.00 0.00 37.83 33.70 1sfr s LYS 23 CO 0.03 -0.33 0.27 0.08 -0.36 0.00 0.00 175.35 175.04 1sfr s VAL 24 N -1.52 -0.43 0.22 4.02 1.01 0.15 -1.51 120.40 122.34 1sfr s VAL 24 Ca 0.59 0.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 1sfr s VAL 24 Cb -0.28 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1sfr s VAL 24 CO 0.34 0.05 0.94 -1.10 0.00 0.00 0.00 175.10 175.33 1sfr s GLN 25 N 2.42 4.83 0.03 2.72 -0.21 -0.34 -0.03 119.66 129.08 1sfr s GLN 25 Ca 0.03 1.48 -0.08 0.00 0.02 0.00 0.00 55.36 56.80 1sfr s GLN 25 Cb -0.13 -3.29 -0.00 0.00 1.00 0.00 0.00 33.01 30.59 1sfr s GLN 25 CO -0.10 0.48 0.16 0.12 -2.12 0.00 0.00 175.29 173.83 1sfr s PHE 26 N -1.02 0.08 -0.24 0.91 5.36 0.83 -0.89 117.98 123.01 1sfr s PHE 26 Ca 0.42 -0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 56.07 1sfr s PHE 26 Cb -0.26 -0.06 0.13 0.00 -0.34 0.00 0.00 43.02 42.49 1sfr s PHE 26 CO 0.32 -0.37 0.37 -1.14 -1.46 0.00 0.00 175.22 172.93 1sfr s GLN 27 N -2.22 0.33 0.30 10.12 0.74 -0.78 0.86 119.66 129.01 1sfr s GLN 27 Ca -0.08 0.52 -0.29 0.00 0.05 0.00 0.00 55.36 55.56 1sfr s GLN 27 Cb -0.03 -0.51 -0.10 0.00 1.10 0.00 0.00 33.01 33.47 1sfr s GLN 27 CO -0.02 -0.63 1.32 0.45 -0.55 0.00 0.00 175.29 175.85 1sfr s SER 28 N 2.53 6.80 -0.23 6.67 0.15 -1.26 -1.10 113.70 127.25 1sfr s SER 28 Ca 0.12 2.63 0.14 0.00 0.70 0.00 0.00 55.95 59.54 1sfr s SER 28 Cb -0.15 -2.64 0.68 0.00 -1.71 0.00 0.00 66.02 62.19 1sfr s SER 28 CO -0.15 -0.54 1.61 0.61 1.20 0.00 0.00 173.24 175.97 1sfr n GLY 29 N 1.22 3.65 0.00 9.45 0.00 -1.24 -4.83 105.19 113.44 1sfr n GLY 29 Ca 0.02 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.07 1.72 3.71 -0.02 0.00 -1.26 -4.35 105.19 104.92 1sfr n GLY 30 Ca 0.28 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.04 3.77 -1.88 4.61 0.00 -1.26 -2.52 121.76 122.44 1sfr s ALA 31 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1sfr s ALA 31 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1sfr s ALA 31 CO 0.00 -0.93 0.00 -1.71 0.00 0.00 0.00 175.76 173.12 1sfr n ASN 32 N 4.60 -5.70 -4.84 0.00 2.85 0.12 -4.98 115.26 107.31 1sfr n ASN 32 Ca 0.15 0.15 -0.32 0.00 -0.11 0.00 0.00 54.58 54.45 1sfr n ASN 32 Cb 0.39 -4.83 -0.03 0.00 1.24 0.00 0.00 39.78 36.55 1sfr n ASN 32 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1sfr s SER 33 N -2.25 6.48 0.73 1.20 1.04 -1.05 -4.40 113.70 115.44 1sfr s SER 33 Ca 0.00 1.60 -0.14 0.00 0.48 0.00 0.00 55.95 57.89 1sfr s SER 33 Cb 0.00 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.65 1sfr s SER 33 CO 0.00 -0.69 1.13 -2.84 0.98 0.00 0.00 173.24 171.82 1sfr s PRO 34 N -4.13 2.35 -0.01 4.02 0.02 -1.26 -2.13 135.00 133.86 1sfr s PRO 34 Ca 0.59 1.44 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 1sfr s PRO 34 Cb -0.11 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.48 1sfr s PRO 34 CO 0.33 -1.61 0.08 0.00 -0.33 0.00 0.00 177.00 175.47 1sfr s ALA 35 N -2.41 3.57 -0.28 -1.55 0.00 -1.26 -0.76 121.76 119.07 1sfr s ALA 35 Ca 0.67 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1sfr s ALA 35 Cb -0.22 -1.58 0.07 0.00 0.00 0.00 0.00 23.12 21.38 1sfr s ALA 35 CO 0.47 0.68 -0.07 -1.17 0.00 0.00 0.00 175.76 175.67 1sfr s LEU 36 N -1.67 3.71 -0.24 0.00 2.96 0.29 -0.53 118.68 123.22 1sfr s LEU 36 Ca 0.22 -1.50 -0.19 0.00 -0.22 0.00 0.00 54.13 52.44 1sfr s LEU 36 Cb -0.12 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1sfr s LEU 36 CO 0.13 -0.23 0.54 -0.31 -1.32 0.00 0.00 176.35 175.16 1sfr s TYR 37 N 1.09 3.31 -0.32 5.38 1.51 0.11 -0.72 117.35 127.70 1sfr s TYR 37 Ca -0.05 0.73 -0.10 0.00 -1.01 0.00 0.00 57.07 56.64 1sfr s TYR 37 Cb -0.20 -2.73 -0.00 0.00 -0.11 0.00 0.00 41.96 38.92 1sfr s TYR 37 CO -0.05 -0.23 0.15 -0.51 -1.11 0.00 0.00 175.55 173.81 1sfr s LEU 38 N 2.12 4.15 -0.01 -1.29 1.43 -0.23 -0.21 118.68 124.63 1sfr s LEU 38 Ca 0.23 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 1sfr s LEU 38 Cb -0.16 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 1sfr s LEU 38 CO 0.09 -0.21 0.38 -0.76 0.23 0.00 0.00 176.35 176.08 1sfr s LEU 39 N 1.60 4.47 0.80 1.79 1.43 0.65 -4.18 118.68 125.24 1sfr s LEU 39 Ca 0.04 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 1sfr s LEU 39 Cb -0.17 -2.54 0.08 0.00 0.03 0.00 0.00 46.19 43.58 1sfr s LEU 39 CO 0.06 0.33 1.16 -0.62 0.23 0.00 0.00 176.35 177.51 1sfr s ASP 40 N -1.08 4.57 0.89 2.29 -1.08 -1.26 -3.87 116.67 117.13 1sfr s ASP 40 Ca 0.23 0.77 -0.08 0.00 -0.52 0.00 0.00 52.55 52.95 1sfr s ASP 40 Cb -0.16 -1.29 0.13 0.00 -1.46 0.00 0.00 42.92 40.14 1sfr s ASP 40 CO 0.13 -1.86 0.80 0.61 0.52 0.00 0.00 175.17 175.37 1sfr n GLY 41 N -3.27 -0.76 0.35 2.66 0.00 -1.26 -3.89 105.19 99.01 1sfr n GLY 41 Ca 0.08 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.43 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 0.75 -4.09 0.99 5.85 -1.94 -2.57 115.31 114.29 1sfr h LEU 42 Ca -0.26 0.10 -0.62 0.00 0.84 0.00 0.00 57.88 57.94 1sfr h LEU 42 Cb 0.78 -0.03 -0.25 0.00 0.37 0.00 0.00 40.66 41.52 1sfr h LEU 42 CO 0.21 0.27 0.80 0.54 -0.34 0.00 0.00 178.44 179.91 1sfr n ARG 43 N -4.78 2.53 -1.68 1.25 1.74 -1.26 -1.19 116.66 113.27 1sfr n ARG 43 Ca 0.23 -2.97 -0.46 0.00 -0.77 0.00 0.00 57.85 53.88 1sfr n ARG 43 Cb 0.56 -2.16 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 1sfr n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sfr n ALA 44 N -0.54 1.39 -2.14 7.54 0.00 -0.97 -4.97 120.51 120.82 1sfr n ALA 44 Ca 0.55 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 54.14 1sfr n ALA 44 Cb 0.57 -2.41 0.03 0.00 0.00 0.00 0.00 19.45 17.63 1sfr n ALA 44 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sfr s GLN 45 N 1.80 2.89 0.00 0.00 -0.21 -1.26 -3.94 119.66 118.94 1sfr s GLN 45 Ca 0.82 -0.25 0.27 0.00 0.02 0.00 0.00 55.36 56.22 1sfr s GLN 45 Cb -0.66 -2.38 0.77 0.00 1.00 0.00 0.00 33.01 31.75 1sfr s GLN 45 CO 0.41 -0.60 1.59 -0.25 -2.12 0.00 0.00 175.29 174.32 1sfr n ASP 46 N -2.42 1.98 -0.11 5.90 8.00 -1.26 -2.30 116.55 126.34 1sfr n ASP 46 Ca 0.04 -1.66 -0.19 0.00 0.71 0.00 0.00 54.79 53.69 1sfr n ASP 46 Cb 0.58 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.60 1sfr n ASP 46 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1sfr n ASP 47 N 0.55 1.90 -4.10 -2.24 5.75 -1.26 -4.81 116.55 112.34 1sfr n ASP 47 Ca 0.17 0.42 -0.08 0.00 -0.01 0.00 0.00 54.79 55.30 1sfr n ASP 47 Cb 0.43 -0.86 -0.10 0.00 -1.03 0.00 0.00 41.12 39.57 1sfr n ASP 47 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1sfr s PHE 48 N -2.49 0.58 0.37 2.11 0.40 -1.26 -5.04 117.98 112.64 1sfr s PHE 48 Ca -0.29 -1.07 -0.25 0.00 -0.60 0.00 0.00 56.93 54.72 1sfr s PHE 48 Cb 0.08 -0.41 -0.10 0.00 0.51 0.00 0.00 43.02 43.10 1sfr s PHE 48 CO 0.46 -0.37 0.99 0.45 0.70 0.00 0.00 175.22 177.45 1sfr s SER 49 N -2.94 7.03 0.53 1.36 0.15 -1.26 -4.29 113.70 114.27 1sfr s SER 49 Ca 0.09 1.91 0.23 0.00 0.70 0.00 0.00 55.95 58.88 1sfr s SER 49 Cb 0.08 -2.58 1.37 0.00 -1.71 0.00 0.00 66.02 63.18 1sfr s SER 49 CO -0.09 -0.29 2.04 1.23 1.20 0.00 0.00 173.24 177.33 1sfr h GLY 50 N 2.73 0.00 1.02 9.45 0.00 -1.93 -1.21 103.07 113.13 1sfr h GLY 50 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1sfr h GLY 50 CO 0.63 0.00 0.34 1.49 0.00 0.00 0.00 176.54 179.01 1sfr h TRP 51 N 0.00 1.08 0.08 5.60 4.06 -1.93 0.57 115.95 125.41 1sfr h TRP 51 Ca 0.18 -0.06 -0.26 0.00 2.06 0.00 0.00 58.89 60.81 1sfr h TRP 51 Cb 0.74 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1sfr h TRP 51 CO 0.00 0.80 -1.25 0.22 -3.56 0.00 0.00 178.44 174.65 1sfr h ASP 52 N 1.04 0.28 -0.59 -3.49 3.58 -1.50 -1.27 116.42 114.47 1sfr h ASP 52 Ca 0.25 -0.32 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 1sfr h ASP 52 Cb 0.14 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1sfr h ASP 52 CO -0.03 1.26 0.11 0.40 -2.88 0.00 0.00 179.24 178.10 1sfr h ILE 53 N 0.05 1.25 -0.02 2.25 2.04 -1.12 -3.32 117.51 118.65 1sfr h ILE 53 Ca -0.13 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1sfr h ILE 53 Cb 1.93 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.75 1sfr h ILE 53 CO 0.17 0.35 -0.01 0.59 0.00 0.00 0.00 178.15 179.25 1sfr n ASN 54 N -4.33 2.17 -3.81 1.72 3.02 0.18 -5.05 115.26 109.16 1sfr n ASN 54 Ca 0.03 -1.59 -0.10 0.00 -0.03 0.00 0.00 54.58 52.90 1sfr n ASN 54 Cb 0.26 0.02 -0.07 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.22 0.12 -0.50 3.41 -4.23 -0.48 -4.86 115.64 107.88 1sfr s THR 55 Ca 0.17 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1sfr s THR 55 Cb 0.12 -1.18 0.04 0.00 1.34 0.00 0.00 72.50 72.82 1sfr s THR 55 CO 0.19 -0.53 0.80 -2.65 -0.54 0.00 0.00 174.62 171.89 1sfr n PRO 56 N 0.14 1.12 -0.20 3.99 -0.02 -1.26 -4.47 135.00 134.30 1sfr n PRO 56 Ca -0.16 -0.14 -0.06 0.00 -2.02 0.00 0.00 63.50 61.12 1sfr n PRO 56 Cb 0.62 -1.30 -0.05 0.00 -0.02 0.00 0.00 33.50 32.75 1sfr n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sfr h ALA 57 N 2.02 -0.29 -0.52 3.55 0.00 -1.93 0.52 119.26 122.63 1sfr h ALA 57 Ca 0.01 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1sfr h ALA 57 Cb 0.83 1.18 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 1sfr h ALA 57 CO 0.04 -0.49 0.03 0.74 0.00 0.00 0.00 179.25 179.57 1sfr h PHE 58 N -0.01 0.03 -0.82 0.00 0.04 -1.90 0.60 116.94 114.88 1sfr h PHE 58 Ca 0.08 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1sfr h PHE 58 Cb 0.21 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 1sfr h PHE 58 CO -0.97 -0.09 0.46 1.49 -0.60 0.00 0.00 178.31 178.60 1sfr h GLU 59 N 0.15 1.13 -0.49 1.51 4.81 -1.61 -0.55 114.58 119.54 1sfr h GLU 59 Ca 0.26 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1sfr h GLU 59 Cb 0.39 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1sfr h GLU 59 CO -0.40 0.82 0.00 -1.49 -0.73 0.00 0.00 179.01 177.21 1sfr h TRP 60 N 1.13 0.86 -0.26 0.92 6.55 0.14 -3.05 115.95 122.24 1sfr h TRP 60 Ca 0.29 -0.12 0.00 0.00 0.95 0.00 0.00 58.89 60.01 1sfr h TRP 60 Cb 0.01 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.08 1sfr h TRP 60 CO 0.00 0.79 0.00 0.66 -1.05 0.00 0.00 178.44 178.84 1sfr n TYR 61 N -4.21 0.33 -1.98 0.49 4.02 0.07 -4.81 117.16 111.07 1sfr n TYR 61 Ca 0.03 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.90 57.33 1sfr n TYR 61 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 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 -1.54 6.64 -0.39 7.72 3.68 -0.26 -1.82 116.67 130.70 1sfr s ASP 62 Ca 0.35 2.49 0.00 0.00 2.13 0.00 0.00 52.55 57.52 1sfr s ASP 62 Cb 0.20 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 39.09 1sfr s ASP 62 CO 0.29 -0.83 0.00 0.00 0.13 0.00 0.00 175.17 174.76 1sfr n GLN 63 N 4.84 -0.66 0.12 4.34 6.02 -1.26 -4.89 117.38 125.89 1sfr n GLN 63 Ca 0.14 0.46 0.13 0.00 -0.01 0.00 0.00 57.00 57.73 1sfr n GLN 63 Cb 0.40 -4.16 0.34 0.00 1.02 0.00 0.00 30.24 27.85 1sfr n GLN 63 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1sfr h SER 64 N 0.00 0.00 0.00 1.08 4.64 -1.67 0.60 113.55 118.20 1sfr h SER 64 Ca -0.08 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1sfr h SER 64 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1sfr h SER 64 CO 0.11 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 1sfr n GLY 65 N 1.27 0.76 3.37 -0.77 0.00 -1.25 -3.91 105.19 104.66 1sfr n GLY 65 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 2.37 -0.33 0.99 1.43 -1.26 -4.11 118.68 117.77 1sfr s LEU 66 Ca 0.00 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.52 1sfr s LEU 66 Cb 0.00 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 1sfr s LEU 66 CO 0.00 0.30 0.66 -0.44 0.23 0.00 0.00 176.35 177.10 1sfr s SER 67 N -0.45 6.50 -0.18 2.29 0.01 0.06 -3.68 113.70 118.25 1sfr s SER 67 Ca 0.05 0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.42 1sfr s SER 67 Cb -0.12 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 1sfr s SER 67 CO 0.01 -0.55 0.82 -0.69 0.41 0.00 0.00 173.24 173.24 1sfr s VAL 68 N 2.73 4.88 -0.22 3.43 1.01 -0.26 -0.55 120.40 131.43 1sfr s VAL 68 Ca 0.26 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.86 1sfr s VAL 68 Cb -0.15 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.14 1sfr s VAL 68 CO 0.13 0.02 -0.14 -0.69 0.00 0.00 0.00 175.10 174.43 1sfr s VAL 69 N 2.18 2.32 -0.47 2.92 1.01 0.10 -1.87 120.40 126.59 1sfr s VAL 69 Ca 0.38 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1sfr s VAL 69 Cb -0.16 -2.12 0.12 0.00 0.00 0.00 0.00 36.38 34.22 1sfr s VAL 69 CO 0.12 0.32 0.22 -0.04 0.00 0.00 0.00 175.10 175.72 1sfr s MET 70 N 1.26 1.94 0.74 2.72 -1.94 -0.07 -1.07 119.30 122.88 1sfr s MET 70 Ca 0.00 -2.29 -0.14 0.00 -1.71 0.00 0.00 55.69 51.55 1sfr s MET 70 Cb -0.16 -3.39 0.04 0.00 2.01 0.00 0.00 34.83 33.33 1sfr s MET 70 CO -0.09 -1.07 1.16 -1.25 -0.01 0.00 0.00 175.02 173.77 1sfr s PRO 71 N 0.27 2.17 -0.08 2.03 0.04 -1.26 -1.19 135.00 136.97 1sfr s PRO 71 Ca 0.14 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.82 1sfr s PRO 71 Cb -0.23 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1sfr s PRO 71 CO -0.03 -1.78 -0.24 0.08 0.04 0.00 0.00 177.00 175.07 1sfr s VAL 72 N -2.24 2.05 0.00 -0.36 1.01 -0.57 -4.68 120.40 115.61 1sfr s VAL 72 Ca 0.70 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1sfr s VAL 72 Cb -0.25 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1sfr s VAL 72 CO 0.47 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.74 1sfr n GLY 73 N 3.28 -3.01 0.81 4.51 0.00 -0.97 -4.37 105.19 105.42 1sfr n GLY 73 Ca -0.18 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.02 0.82 3.67 -0.02 0.00 -1.26 -4.88 105.19 103.50 1sfr n GLY 74 Ca 0.00 -0.37 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 1sfr n GLY 74 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sfr n GLN 75 N -0.39 2.05 -1.26 1.61 7.27 -1.25 -0.82 117.38 124.58 1sfr n GLN 75 Ca 0.00 0.73 -0.11 0.00 0.07 0.00 0.00 57.00 57.69 1sfr n GLN 75 Cb 0.30 -2.40 -0.05 0.00 2.41 0.00 0.00 30.24 30.50 1sfr n GLN 75 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1sfr n SER 76 N 2.33 -5.06 0.14 1.69 7.64 -0.33 -4.85 113.62 115.18 1sfr n SER 76 Ca 0.12 0.27 -0.00 0.00 1.01 0.00 0.00 58.87 60.27 1sfr n SER 76 Cb 0.31 -3.85 0.16 0.00 -1.01 0.00 0.00 64.21 59.82 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 -1.44 6.43 4.64 -1.27 -3.47 113.55 118.44 1sfr h SER 77 Ca -0.22 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.68 1sfr h SER 77 Cb 1.07 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 1sfr h SER 77 CO 0.32 0.60 -0.42 0.49 -0.87 0.00 0.00 176.83 176.96 1sfr n PHE 78 N -3.64 -0.22 -4.29 4.77 3.01 -1.26 -2.41 117.46 113.42 1sfr n PHE 78 Ca -0.01 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.14 1sfr n PHE 78 Cb 0.64 -3.57 -0.09 0.00 -0.01 0.00 0.00 39.48 36.45 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 -2.72 -1.31 -4.60 1.38 4.01 -1.26 -4.73 117.16 107.92 1sfr n TYR 79 Ca -0.22 0.64 -0.28 0.00 -0.16 0.00 0.00 57.90 57.89 1sfr n TYR 79 Cb 0.68 -2.86 -0.11 0.00 -0.31 0.00 0.00 39.34 36.75 1sfr n TYR 79 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sfr s SER 80 N -4.29 3.83 -0.43 7.72 0.15 -1.01 -3.65 113.70 116.02 1sfr s SER 80 Ca 0.07 -1.34 -0.18 0.00 0.70 0.00 0.00 55.95 55.21 1sfr s SER 80 Cb -0.04 -0.39 0.03 0.00 -1.71 0.00 0.00 66.02 63.91 1sfr s SER 80 CO 0.99 -0.40 0.47 -1.81 1.20 0.00 0.00 173.24 173.68 1sfr s ASP 81 N -3.69 6.21 0.47 5.45 1.01 -1.26 -2.02 116.67 122.84 1sfr s ASP 81 Ca 0.35 -0.70 -0.21 0.00 0.71 0.00 0.00 52.55 52.70 1sfr s ASP 81 Cb 0.09 -2.24 -0.09 0.00 1.01 0.00 0.00 42.92 41.69 1sfr s ASP 81 CO 0.18 -0.63 1.02 0.26 0.21 0.00 0.00 175.17 176.20 1sfr s TRP 82 N 2.22 3.08 -0.06 4.23 0.52 -0.56 -4.95 118.94 123.41 1sfr s TRP 82 Ca 0.13 1.59 -0.27 0.00 0.02 0.00 0.00 56.10 57.57 1sfr s TRP 82 Cb -0.17 -3.02 -0.22 0.00 -1.15 0.00 0.00 33.47 28.91 1sfr s TRP 82 CO 0.14 -0.66 1.11 1.88 0.02 0.00 0.00 176.95 179.44 1sfr h TYR 83 N 1.68 0.03 -1.67 -1.98 0.05 -1.21 -3.47 116.97 110.41 1sfr h TYR 83 Ca -0.49 -0.01 -0.51 0.00 0.05 0.00 0.00 58.73 57.77 1sfr h TYR 83 Cb 1.21 -0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.90 1sfr h TYR 83 CO 0.58 0.67 -0.43 -0.65 -1.05 0.00 0.00 178.16 177.28 1sfr s GLN 84 N -3.59 2.53 0.61 4.88 1.11 -0.05 -5.06 119.66 120.08 1sfr s GLN 84 Ca -0.17 -1.51 -0.19 0.00 0.01 0.00 0.00 55.36 53.51 1sfr s GLN 84 Cb 0.00 -2.33 -0.03 0.00 -1.01 0.00 0.00 33.01 29.65 1sfr s GLN 84 CO 0.69 -0.06 1.24 -2.14 0.01 0.00 0.00 175.29 175.03 1sfr s PRO 85 N -4.02 2.84 -0.82 2.91 0.02 -1.26 -4.76 135.00 129.90 1sfr s PRO 85 Ca 0.44 1.92 -0.24 0.00 0.02 0.00 0.00 61.00 63.14 1sfr s PRO 85 Cb -0.03 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 32.64 1sfr s PRO 85 CO 0.26 -1.34 1.23 0.00 -0.33 0.00 0.00 177.00 176.82 1sfr s ALA 86 N -1.51 2.91 -0.28 -1.55 0.00 0.68 -4.88 121.76 117.12 1sfr s ALA 86 Ca 0.79 -1.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 1sfr s ALA 86 Cb -0.33 -4.21 -0.02 0.00 0.00 0.00 0.00 23.12 18.56 1sfr s ALA 86 CO 0.36 -3.21 0.12 0.00 0.00 0.00 0.00 175.76 173.03 1sfr n GLY 88 N 4.97 6.50 0.25 0.00 0.00 -0.49 -4.30 105.19 112.11 1sfr n GLY 88 Ca -0.15 -2.03 0.04 0.00 0.00 0.00 0.00 46.02 43.89 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 0.17 -1.09 1.61 1.79 -1.15 -2.95 116.57 114.95 1sfr h LYS 89 Ca 0.00 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.87 1sfr h LYS 89 Cb 0.00 -0.03 -0.26 0.00 -1.58 0.00 0.00 32.23 30.36 1sfr h LYS 89 CO 0.00 0.25 0.74 0.00 -1.08 0.00 0.00 179.45 179.36 1sfr n ALA 90 N -2.50 5.91 0.00 3.86 0.00 -1.26 -5.04 120.51 121.47 1sfr n ALA 90 Ca -0.01 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1sfr n ALA 90 Cb 0.20 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1sfr n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfr n GLY 91 N -0.72 -2.65 3.72 0.00 0.00 -1.12 -5.01 105.19 99.42 1sfr n GLY 91 Ca 0.55 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.76 1.28 -0.18 0.00 -0.21 -0.43 -4.96 119.66 111.40 1sfr s GLN 93 Ca 0.33 -0.96 -0.15 0.00 0.02 0.00 0.00 55.36 54.59 1sfr s GLN 93 Cb -0.07 0.47 -0.04 0.00 1.00 0.00 0.00 33.01 34.37 1sfr s GLN 93 CO 0.22 -0.52 0.36 0.99 -2.12 0.00 0.00 175.29 174.22 1sfr s THR 94 N -3.90 5.24 -0.36 -0.19 2.01 -1.26 -0.23 115.64 116.94 1sfr s THR 94 Ca 0.11 0.65 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 1sfr s THR 94 Cb 0.01 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.89 1sfr s THR 94 CO -0.02 0.30 0.13 -0.31 -0.69 0.00 0.00 174.62 174.03 1sfr s TYR 95 N 0.99 3.38 -0.38 4.92 1.51 -1.26 -4.79 117.35 121.72 1sfr s TYR 95 Ca 0.18 -1.90 0.13 0.00 -1.01 0.00 0.00 57.07 54.47 1sfr s TYR 95 Cb -0.14 -2.65 0.38 0.00 -0.11 0.00 0.00 41.96 39.43 1sfr s TYR 95 CO 0.07 -0.85 0.81 1.63 -1.11 0.00 0.00 175.55 176.10 1sfr n LYS 96 N 4.70 1.28 0.16 -0.62 4.76 -1.25 -1.50 118.16 125.68 1sfr n LYS 96 Ca -0.09 -3.51 0.01 0.00 -2.87 0.00 0.00 58.31 51.85 1sfr n LYS 96 Cb 0.43 -1.67 0.30 0.00 -1.84 0.00 0.00 35.03 32.25 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 2.99 0.06 -0.40 2.13 4.06 -1.69 -1.43 115.95 121.67 1sfr h TRP 97 Ca 0.06 -0.01 -0.13 0.00 2.06 0.00 0.00 58.89 60.87 1sfr h TRP 97 Cb 0.98 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.11 1sfr h TRP 97 CO 0.51 0.46 -0.27 1.49 -3.56 0.00 0.00 178.44 177.08 1sfr h GLU 98 N 0.04 0.83 -0.02 0.49 4.81 -1.69 0.40 114.58 119.44 1sfr h GLU 98 Ca 0.00 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1sfr h GLU 98 Cb 0.76 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1sfr h GLU 98 CO 0.06 1.00 0.00 1.15 -0.73 0.00 0.00 179.01 180.49 1sfr h THR 99 N 0.71 1.24 -0.54 0.32 2.02 -1.86 0.28 112.91 115.08 1sfr h THR 99 Ca 0.09 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1sfr h THR 99 Cb 0.81 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.86 1sfr h THR 99 CO 0.07 0.19 0.26 0.15 0.37 0.00 0.00 175.52 176.56 1sfr h PHE 100 N -0.26 0.48 0.00 3.16 3.57 -1.14 -2.18 116.94 120.58 1sfr h PHE 100 Ca 0.01 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 1sfr h PHE 100 Cb 0.31 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1sfr h PHE 100 CO 0.03 0.22 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.80 1sfr h LEU 101 N 0.51 0.00 -2.24 0.59 3.38 -0.83 0.14 115.31 116.86 1sfr h LEU 101 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1sfr h LEU 101 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1sfr h LEU 101 CO -0.19 0.45 0.00 0.35 0.09 0.00 0.00 178.44 179.15 1sfr n THR 102 N -3.48 0.44 0.17 0.22 -2.24 0.08 -4.47 114.28 105.02 1sfr n THR 102 Ca 0.00 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1sfr n THR 102 Cb 0.59 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1sfr n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1sfr n SER 103 N 1.28 -2.53 0.37 3.42 3.41 -0.85 -4.90 113.62 113.82 1sfr n SER 103 Ca 0.16 0.65 -0.18 0.00 -0.26 0.00 0.00 58.87 59.24 1sfr n SER 103 Cb 0.55 2.47 -0.09 0.00 -0.26 0.00 0.00 64.21 66.88 1sfr n SER 103 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1sfr h GLU 104 N 0.00 -0.98 0.28 4.33 5.08 -1.52 -1.21 114.58 120.55 1sfr h GLU 104 Ca 0.00 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1sfr h GLU 104 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1sfr h GLU 104 CO 0.00 -0.65 -0.13 1.25 -1.00 0.00 0.00 179.01 178.47 1sfr h LEU 105 N -1.02 -0.31 -0.06 1.33 6.46 -1.00 -0.17 115.31 120.54 1sfr h LEU 105 Ca -0.08 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1sfr h LEU 105 Cb 0.82 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.78 1sfr h LEU 105 CO 0.08 -0.20 -0.34 -0.65 -0.62 0.00 0.00 178.44 176.71 1sfr h PRO 106 N -0.40 -0.44 -0.25 5.25 0.11 -1.76 0.11 132.00 134.61 1sfr h PRO 106 Ca -0.04 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.16 1sfr h PRO 106 Cb 0.31 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.46 1sfr h PRO 106 CO 0.06 -0.30 -0.14 0.78 -0.21 0.00 0.00 178.00 178.20 1sfr h GLY 107 N -0.46 0.06 1.10 -0.55 0.00 -1.17 0.29 103.07 102.34 1sfr h GLY 107 Ca 0.07 0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1sfr h GLY 107 CO -0.31 -0.15 0.57 -0.25 0.00 0.00 0.00 176.54 176.40 1sfr h TRP 108 N -0.11 1.07 -0.01 5.60 7.01 -0.45 -1.48 115.95 127.57 1sfr h TRP 108 Ca 0.14 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.02 1sfr h TRP 108 Cb 0.31 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1sfr h TRP 108 CO -0.31 0.65 -0.66 -0.07 -2.79 0.00 0.00 178.44 175.25 1sfr h LEU 109 N 1.13 0.08 -0.16 0.65 3.38 0.05 -0.95 115.31 119.49 1sfr h LEU 109 Ca 0.33 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1sfr h LEU 109 Cb -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1sfr h LEU 109 CO -0.08 0.72 -0.28 -0.61 0.09 0.00 0.00 178.44 178.28 1sfr h GLN 110 N 0.04 0.47 -0.10 1.13 4.15 -0.48 0.11 115.11 120.44 1sfr h GLN 110 Ca -0.01 -0.29 -0.17 0.00 0.77 0.00 0.00 58.65 58.95 1sfr h GLN 110 Cb 1.18 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 1sfr h GLN 110 CO 0.09 0.89 -0.67 0.00 -1.93 0.00 0.00 178.83 177.22 1sfr h ALA 111 N 0.58 0.66 0.00 3.38 0.00 -1.26 -2.77 119.26 119.84 1sfr h ALA 111 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1sfr h ALA 111 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1sfr h ALA 111 CO 0.06 0.74 -1.35 0.09 0.00 0.00 0.00 179.25 178.80 1sfr n ASN 112 N -3.87 1.27 0.00 0.00 4.13 -0.37 -4.67 115.26 111.75 1sfr n ASN 112 Ca -0.04 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.94 1sfr n ASN 112 Cb 0.67 1.45 0.00 0.00 -1.54 0.00 0.00 39.78 40.36 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 -1.79 0.66 -3.70 3.52 5.12 -0.11 -5.03 116.66 115.33 1sfr n ARG 113 Ca -0.01 -0.66 -0.23 0.00 -1.93 0.00 0.00 57.85 55.02 1sfr n ARG 113 Cb 0.33 -0.68 0.03 0.00 -1.16 0.00 0.00 32.46 30.99 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 -0.13 -1.92 -3.93 -1.55 8.25 -0.41 -4.79 115.22 110.74 1sfr n HIS 114 Ca 0.00 0.76 -0.35 0.00 -0.26 0.00 0.00 57.72 57.87 1sfr n HIS 114 Cb 0.34 -4.13 -0.09 0.00 1.12 0.00 0.00 29.99 27.23 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 -3.65 4.99 0.11 1.59 1.01 -0.84 0.12 120.40 123.72 1sfr s VAL 115 Ca 0.12 0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 1sfr s VAL 115 Cb -0.03 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1sfr s VAL 115 CO 0.82 0.47 1.74 -0.75 0.00 0.00 0.00 175.10 177.38 1sfr s LYS 116 N 0.23 4.16 0.35 2.72 2.20 -0.91 -3.77 119.74 124.72 1sfr s LYS 116 Ca 0.05 2.48 0.27 0.00 -0.36 0.00 0.00 55.97 58.41 1sfr s LYS 116 Cb -0.12 -3.54 0.92 0.00 -1.51 0.00 0.00 37.83 33.58 1sfr s LYS 116 CO -0.00 -0.78 1.78 -1.00 -0.36 0.00 0.00 175.35 174.98 1sfr h PRO 117 N 8.29 0.00 -5.50 4.03 0.13 -1.90 -3.38 132.00 133.67 1sfr h PRO 117 Ca -0.44 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.06 1sfr h PRO 117 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1sfr h PRO 117 CO 0.94 0.00 -0.58 0.95 -0.23 0.00 0.00 178.00 179.08 1sfr s THR 118 N -3.33 1.70 -0.96 1.56 -4.23 -1.26 -4.74 115.64 104.38 1sfr s THR 118 Ca 0.06 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 1sfr s THR 118 Cb 0.09 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 71.17 1sfr s THR 118 CO 0.53 0.00 0.83 0.61 -0.54 0.00 0.00 174.62 176.05 1sfr n GLY 119 N -1.01 -0.14 3.92 3.99 0.00 -1.00 -4.75 105.19 106.21 1sfr n GLY 119 Ca -0.08 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1sfr n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sfr s SER 120 N -3.41 5.37 0.09 1.61 0.01 0.12 -4.41 113.70 113.08 1sfr s SER 120 Ca 0.33 -0.54 0.09 0.00 1.31 0.00 0.00 55.95 57.13 1sfr s SER 120 Cb -0.14 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1sfr s SER 120 CO 0.53 -0.60 -0.21 0.00 0.41 0.00 0.00 173.24 173.38 1sfr s ALA 121 N -2.37 2.56 -0.12 1.44 0.00 0.31 -1.15 121.76 122.43 1sfr s ALA 121 Ca 0.48 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 1sfr s ALA 121 Cb -0.06 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.49 1sfr s ALA 121 CO 0.29 0.57 0.03 0.54 0.00 0.00 0.00 175.76 177.19 1sfr s VAL 122 N -1.03 0.31 -0.13 0.00 0.11 -0.06 0.04 120.40 119.64 1sfr s VAL 122 Ca 0.16 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1sfr s VAL 122 Cb -0.10 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1sfr s VAL 122 CO 0.07 0.05 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.04 1sfr s VAL 123 N 1.98 2.70 0.12 2.04 1.01 0.70 -0.79 120.40 128.16 1sfr s VAL 123 Ca 0.03 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1sfr s VAL 123 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1sfr s VAL 123 CO -0.06 0.53 -0.07 -0.83 0.00 0.00 0.00 175.10 174.66 1sfr s GLY 124 N 0.46 0.93 0.11 4.51 0.00 0.07 -0.25 107.32 113.16 1sfr s GLY 124 Ca -0.12 -1.43 0.06 0.00 0.00 0.00 0.00 44.72 43.23 1sfr s GLY 124 CO 0.05 -1.52 -0.14 0.48 0.00 0.00 0.00 173.10 171.97 1sfr s LEU 125 N -3.11 2.38 0.00 0.66 2.34 -1.25 -1.11 118.68 118.59 1sfr s LEU 125 Ca 0.15 -0.78 0.00 0.00 0.06 0.00 0.00 54.13 53.56 1sfr s LEU 125 Cb 0.04 -0.55 0.00 0.00 -0.56 0.00 0.00 46.19 45.12 1sfr s LEU 125 CO -0.02 -0.13 0.00 -0.24 -1.06 0.00 0.00 176.35 174.90 1sfr n SER 126 N 0.66 0.00 0.01 1.48 2.88 0.53 -1.39 113.62 117.79 1sfr n SER 126 Ca -0.16 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.28 1sfr n SER 126 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.20 0.00 -1.46 1.85 -1.86 -1.84 114.93 111.42 1sfr h MET 127 Ca 0.00 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1sfr h MET 127 Cb 0.00 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.08 1sfr h MET 127 CO 0.00 -0.13 0.00 0.00 -0.40 0.00 0.00 176.91 176.38 1sfr n ALA 128 N -2.55 1.31 0.19 0.39 0.00 -0.49 -3.26 120.51 116.10 1sfr n ALA 128 Ca -0.03 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1sfr n ALA 128 Cb 0.22 -1.25 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 2.16 -0.50 0.00 0.00 0.00 -1.28 -0.11 119.26 119.52 1sfr h ALA 129 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1sfr h ALA 129 Cb 0.15 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1sfr h ALA 129 CO 0.00 -0.80 -0.37 0.66 0.00 0.00 0.00 179.25 178.74 1sfr h SER 130 N -0.52 0.00 -0.59 0.00 4.64 -1.71 -2.99 113.55 112.38 1sfr h SER 130 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1sfr h SER 130 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1sfr h SER 130 CO -0.01 0.37 0.38 0.28 -0.87 0.00 0.00 176.83 176.99 1sfr h SER 131 N 0.00 0.68 -0.45 4.97 0.02 -1.51 0.25 113.55 117.52 1sfr h SER 131 Ca -0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sfr h SER 131 Cb 0.86 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1sfr h SER 131 CO 0.05 0.51 0.28 0.00 -1.14 0.00 0.00 176.83 176.52 1sfr h ALA 132 N 1.21 0.57 -0.45 3.77 0.00 -0.89 0.32 119.26 123.79 1sfr h ALA 132 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1sfr h ALA 132 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1sfr h ALA 132 CO -0.04 0.05 0.09 -0.07 0.00 0.00 0.00 179.25 179.28 1sfr h LEU 133 N 0.60 0.70 -0.37 0.00 3.38 -1.41 -2.38 115.31 115.83 1sfr h LEU 133 Ca 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1sfr h LEU 133 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1sfr h LEU 133 CO -0.03 0.76 0.19 0.74 0.09 0.00 0.00 178.44 180.20 1sfr h THR 134 N 0.60 1.15 -0.85 0.22 2.02 -0.60 -1.43 112.91 114.02 1sfr h THR 134 Ca 0.14 -0.41 0.05 0.00 0.77 0.00 0.00 66.41 66.96 1sfr h THR 134 Cb 0.35 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1sfr h THR 134 CO 0.01 0.16 0.54 -0.07 0.37 0.00 0.00 175.52 176.52 1sfr h LEU 135 N 0.47 0.86 -1.00 2.58 3.38 -0.23 -1.96 115.31 119.40 1sfr h LEU 135 Ca 0.13 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1sfr h LEU 135 Cb 0.08 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1sfr h LEU 135 CO -0.02 0.57 -0.29 0.00 0.09 0.00 0.00 178.44 178.79 1sfr h ALA 136 N 1.38 1.16 -0.47 1.53 0.00 -1.02 -1.38 119.26 120.47 1sfr h ALA 136 Ca 0.36 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1sfr h ALA 136 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sfr h ALA 136 CO -0.15 0.54 -0.05 0.82 0.00 0.00 0.00 179.25 180.41 1sfr h ILE 137 N 0.32 1.25 -0.02 0.00 2.04 -0.53 -2.46 117.51 118.11 1sfr h ILE 137 Ca 0.04 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1sfr h ILE 137 Cb 0.68 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1sfr h ILE 137 CO 0.05 0.38 -0.32 -1.22 0.00 0.00 0.00 178.15 177.04 1sfr n TYR 138 N -4.19 0.00 -2.91 1.37 4.01 -0.93 -4.52 117.16 109.99 1sfr n TYR 138 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1sfr n TYR 138 Cb 0.34 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.31 -0.05 -0.06 -0.72 8.25 -0.53 -4.98 115.22 117.44 1sfr n HIS 139 Ca 0.10 -3.11 0.06 0.00 -0.26 0.00 0.00 57.72 54.52 1sfr n HIS 139 Cb 0.47 -0.00 0.43 0.00 1.12 0.00 0.00 29.99 32.01 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 2.91 0.55 -0.41 -0.41 0.13 -1.63 -0.18 132.00 132.96 1sfr h PRO 140 Ca -0.03 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.99 1sfr h PRO 140 Cb 1.09 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1sfr h PRO 140 CO 0.41 0.36 -0.10 1.96 -0.23 0.00 0.00 178.00 180.41 1sfr h GLN 141 N 0.57 0.71 0.00 0.86 4.20 -1.94 -3.21 115.11 116.30 1sfr h GLN 141 Ca 0.22 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sfr h GLN 141 Cb 0.15 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1sfr h GLN 141 CO -0.06 0.79 -0.00 0.37 -0.67 0.00 0.00 178.83 179.26 1sfr h GLN 142 N 0.65 -0.00 -4.55 1.46 4.15 -1.71 -2.64 115.11 112.47 1sfr h GLN 142 Ca 0.12 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.83 1sfr h GLN 142 Cb 0.55 0.00 -0.31 0.00 0.21 0.00 0.00 27.48 27.93 1sfr h GLN 142 CO 0.03 0.85 -0.55 -0.06 -1.93 0.00 0.00 178.83 177.17 1sfr s PHE 143 N -2.78 3.38 -2.41 3.99 0.40 -0.13 0.15 117.98 120.57 1sfr s PHE 143 Ca -0.18 -1.81 0.22 0.00 -0.60 0.00 0.00 56.93 54.56 1sfr s PHE 143 Cb -0.02 -2.79 0.49 0.00 0.51 0.00 0.00 43.02 41.21 1sfr s PHE 143 CO 0.68 -0.86 1.43 1.33 0.70 0.00 0.00 175.22 178.50 1sfr n VAL 144 N 4.76 0.47 -3.69 -0.44 0.24 -0.30 -4.34 118.33 115.04 1sfr n VAL 144 Ca -0.09 -0.68 -0.10 0.00 -2.04 0.00 0.00 64.34 61.43 1sfr n VAL 144 Cb 0.43 0.83 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 1sfr n VAL 144 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1sfr s TYR 145 N -1.53 -0.63 -0.06 6.34 6.14 -1.15 -1.28 117.35 125.19 1sfr s TYR 145 Ca 0.38 1.31 0.02 0.00 0.64 0.00 0.00 57.07 59.42 1sfr s TYR 145 Cb 0.22 0.25 0.01 0.00 0.42 0.00 0.00 41.96 42.86 1sfr s TYR 145 CO 0.30 -0.37 -0.12 0.00 0.64 0.00 0.00 175.55 176.00 1sfr s ALA 146 N 1.72 1.21 -0.14 3.97 0.00 0.41 -0.88 121.76 128.05 1sfr s ALA 146 Ca -0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1sfr s ALA 146 Cb -0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1sfr s ALA 146 CO -0.12 0.12 -0.11 0.20 0.00 0.00 0.00 175.76 175.85 1sfr s GLY 147 N 0.61 1.58 -0.24 0.00 0.00 0.03 -1.37 107.32 107.93 1sfr s GLY 147 Ca -0.13 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1sfr s GLY 147 CO 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 173.10 172.93 1sfr s ALA 148 N 0.39 2.02 -0.23 3.20 0.00 0.53 -0.75 121.76 126.93 1sfr s ALA 148 Ca -0.09 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 1sfr s ALA 148 Cb -0.15 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 1sfr s ALA 148 CO 0.05 -1.20 0.03 -1.64 0.00 0.00 0.00 175.76 173.00 1sfr s MET 149 N 1.36 3.60 -1.46 0.00 -1.94 -0.27 -0.06 119.30 120.54 1sfr s MET 149 Ca -0.06 -0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 53.36 1sfr s MET 149 Cb -0.19 -3.19 0.04 0.00 2.01 0.00 0.00 34.83 33.49 1sfr s MET 149 CO -0.06 -0.12 0.55 0.43 -0.01 0.00 0.00 175.02 175.81 1sfr n SER 150 N 4.67 -1.28 -4.92 3.03 7.64 0.42 -0.35 113.62 122.83 1sfr n SER 150 Ca -0.17 -0.97 -0.20 0.00 1.01 0.00 0.00 58.87 58.54 1sfr n SER 150 Cb 0.51 -3.15 -0.02 0.00 -1.01 0.00 0.00 64.21 60.54 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 -4.09 1.82 -0.72 0.23 0.00 -1.26 -3.63 107.32 99.67 1sfr s GLY 151 Ca 0.19 -1.65 -0.20 0.00 0.00 0.00 0.00 44.72 43.07 1sfr s GLY 151 CO 0.88 -1.53 0.90 -2.27 0.00 0.00 0.00 173.10 171.09 1sfr s LEU 152 N -4.13 5.08 0.00 0.66 0.20 -1.26 -4.65 118.68 114.59 1sfr s LEU 152 Ca 0.46 -1.54 0.27 0.00 0.69 0.00 0.00 54.13 54.01 1sfr s LEU 152 Cb -0.07 -2.36 1.39 0.00 -0.43 0.00 0.00 46.19 44.72 1sfr s LEU 152 CO 0.29 -1.17 1.94 0.18 -0.29 0.00 0.00 176.35 177.30 1sfr n LEU 153 N 6.66 0.00 -2.88 -0.68 4.77 -1.26 -3.80 117.00 119.81 1sfr n LEU 153 Ca 0.02 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 56.07 1sfr n LEU 153 Cb 0.45 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1sfr n LEU 153 CO 0.56 -0.03 -0.00 -0.90 -1.33 0.00 0.00 177.39 175.69 1sfr n ASP 154 N -1.27 2.89 0.22 -1.43 5.75 -1.26 -1.42 116.55 120.02 1sfr n ASP 154 Ca 0.13 -3.32 0.17 0.00 -0.01 0.00 0.00 54.79 51.77 1sfr n ASP 154 Cb 0.21 -0.55 0.74 0.00 -1.03 0.00 0.00 41.12 40.49 1sfr n ASP 154 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1sfr h PRO 155 N 2.91 0.00 -0.02 0.11 0.13 -1.87 -0.47 132.00 132.79 1sfr h PRO 155 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1sfr h PRO 155 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1sfr h PRO 155 CO 0.67 0.00 -0.12 -1.13 -0.23 0.00 0.00 178.00 177.20 1sfr n SER 156 N -3.23 1.82 -4.91 1.44 3.41 -1.26 -2.74 113.62 108.15 1sfr n SER 156 Ca 0.03 -1.49 -0.21 0.00 -0.26 0.00 0.00 58.87 56.94 1sfr n SER 156 Cb 0.54 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.17 3.17 2.55 4.33 -1.52 -0.19 -4.83 119.66 121.00 1sfr s GLN 157 Ca 0.30 -0.93 0.00 0.00 -1.95 0.00 0.00 55.36 52.78 1sfr s GLN 157 Cb 0.20 -2.74 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 1sfr s GLN 157 CO 0.40 0.35 0.00 0.00 -0.25 0.00 0.00 175.29 175.79 1sfr n ALA 158 N -1.35 0.00 -0.56 6.09 0.00 -1.26 -0.57 120.51 122.86 1sfr n ALA 158 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1sfr n ALA 158 Cb 0.58 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.32 1sfr n ALA 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sfr n MET 159 N 13.70 3.32 -0.24 0.00 2.81 -1.26 -4.67 117.12 130.78 1sfr n MET 159 Ca 0.00 -2.66 0.04 0.00 -1.81 0.00 0.00 57.70 53.27 1sfr n MET 159 Cb 0.00 -1.71 0.16 0.00 -0.71 0.00 0.00 33.22 30.96 1sfr n MET 159 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1sfr h GLY 160 N 3.22 0.96 0.72 3.03 0.00 -1.04 0.44 103.07 110.40 1sfr h GLY 160 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.33 1sfr h GLY 160 CO 0.16 -0.17 0.14 -2.55 0.00 0.00 0.00 176.54 174.12 1sfr h PRO 161 N 0.27 0.30 -0.45 4.80 0.11 -1.73 0.36 132.00 135.67 1sfr h PRO 161 Ca 0.39 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 1sfr h PRO 161 Cb 0.64 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 1sfr h PRO 161 CO -0.48 0.20 0.16 1.15 -0.21 0.00 0.00 178.00 178.82 1sfr h THR 162 N 0.31 1.21 -0.69 -1.15 2.02 -1.71 -0.96 112.91 111.94 1sfr h THR 162 Ca 0.16 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.58 1sfr h THR 162 Cb 0.12 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1sfr h THR 162 CO -0.15 0.25 0.13 -0.07 0.37 0.00 0.00 175.52 176.04 1sfr h LEU 163 N 0.58 1.08 -0.82 2.58 3.38 -0.51 -0.43 115.31 121.17 1sfr h LEU 163 Ca 0.15 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1sfr h LEU 163 Cb 0.23 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1sfr h LEU 163 CO -0.01 1.06 -0.02 0.40 0.09 0.00 0.00 178.44 179.96 1sfr h ILE 164 N 1.06 1.25 -0.71 1.22 2.04 -0.14 -1.26 117.51 120.97 1sfr h ILE 164 Ca 0.21 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1sfr h ILE 164 Cb 0.43 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1sfr h ILE 164 CO 0.01 0.38 0.25 1.23 0.00 0.00 0.00 178.15 180.02 1sfr h GLY 165 N 0.98 1.16 1.27 5.37 0.00 -0.64 0.16 103.07 111.37 1sfr h GLY 165 Ca 0.15 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1sfr h GLY 165 CO 0.03 0.62 0.19 1.41 0.00 0.00 0.00 176.54 178.78 1sfr h LEU 166 N 1.03 0.86 -0.11 3.11 3.38 -0.71 0.11 115.31 122.97 1sfr h LEU 166 Ca 0.23 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1sfr h LEU 166 Cb 0.26 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sfr h LEU 166 CO -0.01 0.81 -0.08 0.00 0.09 0.00 0.00 178.44 179.25 1sfr h ALA 167 N 1.31 0.16 -0.44 1.53 0.00 -0.68 -2.35 119.26 118.79 1sfr h ALA 167 Ca 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1sfr h ALA 167 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1sfr h ALA 167 CO -0.01 -0.03 0.15 0.52 0.00 0.00 0.00 179.25 179.89 1sfr h MET 168 N -0.13 0.64 -0.19 0.00 2.86 -0.48 -0.93 114.93 116.71 1sfr h MET 168 Ca 0.02 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1sfr h MET 168 Cb 0.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1sfr h MET 168 CO 0.02 0.54 -0.45 0.78 1.06 0.00 0.00 176.91 178.87 1sfr h GLY 169 N 0.80 0.50 1.80 8.32 0.00 -0.92 -1.51 103.07 112.06 1sfr h GLY 169 Ca 0.15 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1sfr h GLY 169 CO -0.01 0.47 -0.17 -1.80 0.00 0.00 0.00 176.54 175.03 1sfr h ASP 170 N 0.37 0.00 -2.98 0.19 1.82 -0.82 -1.64 116.42 113.36 1sfr h ASP 170 Ca 0.03 -0.03 -0.70 0.00 -0.39 0.00 0.00 57.03 55.94 1sfr h ASP 170 Cb 0.93 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.59 1sfr h ASP 170 CO 0.08 0.02 -0.06 0.00 -1.61 0.00 0.00 179.24 177.67 1sfr n ALA 171 N -1.93 4.11 0.00 -0.78 0.00 -0.42 -4.59 120.51 116.90 1sfr n ALA 171 Ca 0.04 -4.68 0.00 0.00 0.00 0.00 0.00 53.44 48.81 1sfr n ALA 171 Cb 0.47 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.77 0.28 2.62 0.00 0.00 -1.26 -4.45 105.19 104.17 1sfr n GLY 172 Ca 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.83 -0.06 3.93 -0.02 0.00 -0.62 -0.81 105.19 105.78 1sfr n GLY 173 Ca 0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.01 2.82 -0.17 1.61 1.51 -0.58 -4.24 117.35 115.29 1sfr s TYR 174 Ca 0.24 0.42 0.01 0.00 -1.01 0.00 0.00 57.07 56.73 1sfr s TYR 174 Cb -0.11 -3.23 0.01 0.00 -0.11 0.00 0.00 41.96 38.52 1sfr s TYR 174 CO 0.30 -1.48 -0.19 0.21 -1.11 0.00 0.00 175.55 173.28 1sfr s LYS 175 N -5.28 3.05 0.33 -0.62 2.20 -1.26 -3.22 119.74 114.94 1sfr s LYS 175 Ca 0.61 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 55.46 1sfr s LYS 175 Cb -0.10 -2.56 0.72 0.00 -1.51 0.00 0.00 37.83 34.38 1sfr s LYS 175 CO 0.45 -0.11 1.86 0.00 -0.36 0.00 0.00 175.35 177.19 1sfr h ALA 176 N 7.65 1.71 0.00 3.13 0.00 -1.91 -1.37 119.26 128.48 1sfr h ALA 176 Ca -0.39 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1sfr h ALA 176 Cb 1.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1sfr h ALA 176 CO 0.60 0.05 -0.11 0.66 0.00 0.00 0.00 179.25 180.46 1sfr h SER 177 N 0.81 0.00 0.89 0.00 4.64 -1.94 -1.23 113.55 116.71 1sfr h SER 177 Ca 0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.72 1sfr h SER 177 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1sfr h SER 177 CO -0.22 0.11 -0.27 0.44 -0.87 0.00 0.00 176.83 176.02 1sfr h ASP 178 N 0.00 0.00 0.00 4.97 3.32 -1.55 0.34 116.42 123.51 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 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1sfr h ASP 178 CO 0.01 0.27 -0.15 -0.03 -1.72 0.00 0.00 179.24 177.63 1sfr h MET 179 N 0.00 0.00 -0.14 3.56 4.05 -1.29 -0.05 114.93 121.07 1sfr h MET 179 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1sfr h MET 179 Cb 0.78 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1sfr h MET 179 CO 0.03 0.00 0.00 0.91 0.23 0.00 0.00 176.91 178.08 1sfr n TRP 180 N -3.70 0.23 -4.33 1.39 8.01 -0.88 -2.52 117.44 115.65 1sfr n TRP 180 Ca -0.02 -0.59 0.00 0.00 -1.31 0.00 0.00 57.50 55.58 1sfr n TRP 180 Cb 0.08 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 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 -0.27 -1.17 3.74 6.99 0.00 0.12 -4.53 105.19 110.07 1sfr n GLY 181 Ca 0.07 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 1sfr n GLY 181 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sfr s PRO 182 N 0.00 2.38 0.46 1.61 0.04 -1.26 -4.11 135.00 134.11 1sfr s PRO 182 Ca 0.00 1.60 0.31 0.00 0.04 0.00 0.00 61.00 62.95 1sfr s PRO 182 Cb 0.00 -1.88 1.42 0.00 0.04 0.00 0.00 34.50 34.08 1sfr s PRO 182 CO 0.00 -1.62 1.67 1.57 0.04 0.00 0.00 177.00 178.66 1sfr h LYS 183 N -0.20 0.12 -0.01 4.56 2.10 -1.99 0.19 116.57 121.34 1sfr h LYS 183 Ca -0.47 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1sfr h LYS 183 Cb 1.27 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1sfr h LYS 183 CO 0.51 0.08 -0.03 -0.85 -2.00 0.00 0.00 179.45 177.16 1sfr n GLU 184 N -4.52 1.17 -2.12 0.07 0.00 -1.26 -4.81 120.64 109.18 1sfr n GLU 184 Ca 0.34 -0.43 -0.41 0.00 0.00 0.00 0.00 57.16 56.66 1sfr n GLU 184 Cb 1.38 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 31.31 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 -2.12 6.78 0.57 -1.84 -1.08 0.68 -4.89 116.67 114.76 1sfr s ASP 185 Ca 0.39 2.61 0.31 0.00 -0.52 0.00 0.00 52.55 55.35 1sfr s ASP 185 Cb 0.21 -2.63 1.45 0.00 -1.46 0.00 0.00 42.92 40.49 1sfr s ASP 185 CO 0.39 -0.57 1.82 -0.65 0.52 0.00 0.00 175.17 176.68 1sfr h PRO 186 N 4.24 0.00 -0.94 4.34 0.11 -1.88 -2.14 132.00 135.73 1sfr h PRO 186 Ca -0.47 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.78 1sfr h PRO 186 Cb 1.22 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1sfr h PRO 186 CO 0.71 0.00 0.60 0.00 -0.21 0.00 0.00 178.00 179.10 1sfr h ALA 187 N 1.39 1.72 0.28 -0.75 0.00 -1.90 -2.39 119.26 117.61 1sfr h ALA 187 Ca 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1sfr h ALA 187 Cb 1.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1sfr h ALA 187 CO -0.00 0.02 -0.18 -1.49 0.00 0.00 0.00 179.25 177.59 1sfr h TRP 188 N 0.79 -0.48 0.00 0.00 4.06 -1.62 -0.98 115.95 117.73 1sfr h TRP 188 Ca 0.47 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.42 1sfr h TRP 188 Cb 0.66 0.17 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 1sfr h TRP 188 CO -0.00 -0.29 0.00 1.04 -3.56 0.00 0.00 178.44 175.63 1sfr n GLN 189 N -5.31 0.04 0.10 0.49 6.02 -1.10 -2.57 117.38 115.05 1sfr n GLN 189 Ca -0.09 0.16 -0.17 0.00 -0.01 0.00 0.00 57.00 56.89 1sfr n GLN 189 Cb 0.22 -1.56 -0.14 0.00 1.02 0.00 0.00 30.24 29.78 1sfr n GLN 189 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1sfr h ARG 190 N 0.00 0.29 -0.72 -1.09 1.12 -0.96 -3.25 114.38 109.76 1sfr h ARG 190 Ca 0.00 -0.49 -0.11 0.00 -1.11 0.00 0.00 59.98 58.27 1sfr h ARG 190 Cb 0.41 0.18 -0.07 0.00 -0.01 0.00 0.00 29.97 30.48 1sfr h ARG 190 CO 0.00 1.21 0.15 0.09 -3.11 0.00 0.00 179.97 178.31 1sfr n ASN 191 N -3.53 4.86 -4.27 -3.80 3.02 -0.41 -4.80 115.26 106.32 1sfr n ASN 191 Ca -0.10 -2.98 -0.41 0.00 -0.03 0.00 0.00 54.58 51.05 1sfr n ASN 191 Cb 1.03 -0.70 -0.09 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.78 5.73 0.24 6.41 -1.08 -1.08 -4.80 116.67 121.31 1sfr s ASP 192 Ca 0.49 -1.62 -0.05 0.00 -0.52 0.00 0.00 52.55 50.85 1sfr s ASP 192 Cb 0.39 -2.02 0.37 0.00 -1.46 0.00 0.00 42.92 40.19 1sfr s ASP 192 CO 0.13 -0.61 1.81 -0.65 0.52 0.00 0.00 175.17 176.38 1sfr h PRO 193 N 8.47 0.76 -0.91 4.34 0.11 -1.86 -1.79 132.00 141.11 1sfr h PRO 193 Ca -0.23 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1sfr h PRO 193 Cb 1.08 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 1sfr h PRO 193 CO 0.81 0.50 0.60 1.25 -0.21 0.00 0.00 178.00 180.95 1sfr h LEU 194 N 0.78 1.04 -0.69 2.35 7.12 -1.62 -0.13 115.31 124.16 1sfr h LEU 194 Ca 0.38 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.37 1sfr h LEU 194 Cb 0.33 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1sfr h LEU 194 CO -0.23 0.74 0.00 -0.07 -0.13 0.00 0.00 178.44 178.75 1sfr h LEU 195 N 1.22 0.00 -3.14 2.25 3.38 -1.62 -3.23 115.31 114.17 1sfr h LEU 195 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1sfr h LEU 195 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1sfr h LEU 195 CO -0.08 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.04 1sfr n ASN 196 N -3.02 3.44 0.13 -0.43 3.02 -0.58 -4.69 115.26 113.13 1sfr n ASN 196 Ca 0.02 -2.76 0.17 0.00 -0.03 0.00 0.00 54.58 51.98 1sfr n ASN 196 Cb 0.41 -0.44 0.74 0.00 -0.61 0.00 0.00 39.78 39.88 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 1.59 0.64 -0.04 2.41 3.04 -1.09 -1.34 116.25 121.47 1sfr h VAL 197 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 1sfr h VAL 197 Cb 1.21 0.81 -0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1sfr h VAL 197 CO 0.14 0.00 0.03 1.23 -1.01 0.00 0.00 177.57 177.96 1sfr h GLY 198 N 0.00 0.00 1.42 3.17 0.00 -1.87 -1.46 103.07 104.32 1sfr h GLY 198 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.22 1sfr h GLY 198 CO -0.00 0.00 -1.02 0.50 0.00 0.00 0.00 176.54 176.02 1sfr h LYS 199 N 0.00 0.52 -0.83 4.80 1.57 -1.62 -0.42 116.57 120.58 1sfr h LYS 199 Ca 0.02 -0.58 -0.04 0.00 -1.87 0.00 0.00 60.65 58.18 1sfr h LYS 199 Cb 0.08 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1sfr h LYS 199 CO -0.00 1.21 0.38 -0.07 -0.57 0.00 0.00 179.45 180.40 1sfr h LEU 200 N 0.28 1.10 -0.13 2.94 3.38 -1.39 -0.01 115.31 121.49 1sfr h LEU 200 Ca -0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1sfr h LEU 200 Cb 1.67 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1sfr h LEU 200 CO 0.19 0.94 -0.04 0.40 0.09 0.00 0.00 178.44 180.02 1sfr h ILE 201 N 1.19 1.30 -0.54 1.22 2.04 -1.26 -0.80 117.51 120.66 1sfr h ILE 201 Ca 0.28 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1sfr h ILE 201 Cb 0.15 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1sfr h ILE 201 CO -0.03 0.29 0.36 0.00 0.00 0.00 0.00 178.15 178.77 1sfr h ALA 202 N 0.68 0.68 0.00 1.87 0.00 -0.84 -1.97 119.26 119.68 1sfr h ALA 202 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sfr h ALA 202 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sfr h ALA 202 CO 0.01 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.48 1sfr n ASN 203 N -4.71 0.00 -2.45 0.00 5.03 -0.04 -4.91 115.26 108.19 1sfr n ASN 203 Ca 0.03 0.23 -0.21 0.00 0.87 0.00 0.00 54.58 55.51 1sfr n ASN 203 Cb 0.02 -0.41 -0.01 0.00 -1.02 0.00 0.00 39.78 38.37 1sfr n ASN 203 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1sfr n ASN 204 N -1.41 -5.87 -4.73 6.41 5.15 -0.39 -4.93 115.26 109.49 1sfr n ASN 204 Ca 0.10 -0.03 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 1sfr n ASN 204 Cb 0.28 -4.88 -0.01 0.00 -0.53 0.00 0.00 39.78 34.64 1sfr n ASN 204 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1sfr n THR 205 N -4.02 1.23 -2.37 -0.44 -1.04 -0.70 -4.92 114.28 102.02 1sfr n THR 205 Ca -0.24 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.04 1sfr n THR 205 Cb 0.68 -1.86 -0.02 0.00 -1.82 0.00 0.00 70.33 67.31 1sfr n THR 205 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1sfr s ARG 206 N -0.83 4.17 -0.15 -2.82 3.00 -0.40 -4.76 118.95 117.14 1sfr s ARG 206 Ca 0.62 1.66 -0.01 0.00 -1.00 0.00 0.00 55.73 57.00 1sfr s ARG 206 Cb -0.52 -3.81 -0.01 0.00 0.00 0.00 0.00 34.95 30.60 1sfr s ARG 206 CO 0.52 -0.80 -0.11 0.08 0.00 0.00 0.00 175.30 174.99 1sfr s VAL 207 N 3.74 3.13 -0.27 7.11 1.01 -0.71 -0.45 120.40 133.97 1sfr s VAL 207 Ca 0.57 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1sfr s VAL 207 Cb -0.22 -2.34 0.08 0.00 0.00 0.00 0.00 36.38 33.89 1sfr s VAL 207 CO 0.18 0.50 0.01 0.86 0.00 0.00 0.00 175.10 176.65 1sfr s TRP 208 N 0.64 2.33 -0.13 5.22 -0.11 -0.47 0.38 118.94 126.81 1sfr s TRP 208 Ca -0.06 -1.88 -0.02 0.00 1.22 0.00 0.00 56.10 55.36 1sfr s TRP 208 Cb -0.15 -1.79 -0.03 0.00 -1.50 0.00 0.00 33.47 30.00 1sfr s TRP 208 CO 0.03 -0.82 -0.06 0.08 -4.62 0.00 0.00 176.95 171.56 1sfr s VAL 209 N 1.41 3.69 0.09 5.86 1.01 -0.33 -0.34 120.40 131.79 1sfr s VAL 209 Ca 0.01 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1sfr s VAL 209 Cb -0.18 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1sfr s VAL 209 CO -0.11 0.53 -0.16 -0.47 0.00 0.00 0.00 175.10 174.89 1sfr s TYR 210 N 0.05 1.39 -0.29 5.22 5.04 0.92 -1.58 117.35 128.10 1sfr s TYR 210 Ca -0.01 -0.47 -0.19 0.00 -2.44 0.00 0.00 57.07 53.95 1sfr s TYR 210 Cb -0.14 -0.76 0.15 0.00 0.35 0.00 0.00 41.96 41.57 1sfr s TYR 210 CO 0.03 0.11 1.08 0.00 -1.34 0.00 0.00 175.55 175.44 1sfr s GLY 212 N 0.89 1.67 0.00 0.00 0.00 -1.26 -3.97 107.32 104.65 1sfr s GLY 212 Ca -0.04 -0.89 0.22 0.00 0.00 0.00 0.00 44.72 44.01 1sfr s GLY 212 CO -0.12 -0.41 1.15 1.16 0.00 0.00 0.00 173.10 174.88 1sfr n ASN 213 N -3.13 2.60 0.00 1.64 6.94 -1.13 -4.52 115.26 117.66 1sfr n ASN 213 Ca 0.09 -1.80 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1sfr n ASN 213 Cb 0.61 0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.15 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 1.27 0.73 3.58 4.83 0.00 -0.49 -4.31 105.19 110.80 1sfr n GLY 214 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.80 3.85 0.74 1.61 1.02 -1.23 -4.59 119.74 120.34 1sfr s LYS 215 Ca 0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 55.97 55.64 1sfr s LYS 215 Cb 0.00 -3.70 0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1sfr s LYS 215 CO 0.00 -0.33 1.15 -1.25 -0.92 0.00 0.00 175.35 174.00 1sfr s PRO 216 N 1.96 2.21 0.00 -1.68 0.04 -1.26 -0.42 135.00 135.84 1sfr s PRO 216 Ca 0.11 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1sfr s PRO 216 Cb -0.16 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1sfr s PRO 216 CO 0.11 -1.73 0.00 -1.13 0.04 0.00 0.00 177.00 174.29 1sfr n SER 217 N -2.98 1.96 0.31 6.66 3.41 -1.26 -4.75 113.62 116.97 1sfr n SER 217 Ca 0.11 -0.59 0.20 0.00 -0.26 0.00 0.00 58.87 58.33 1sfr n SER 217 Cb 0.52 0.00 1.01 0.00 -0.26 0.00 0.00 64.21 65.48 1sfr n SER 217 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1sfr h ASP 218 N 0.00 0.00 0.25 4.04 2.03 -2.05 -2.00 116.42 118.69 1sfr h ASP 218 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 1sfr h ASP 218 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1sfr h ASP 218 CO 0.00 0.02 -0.11 -0.07 -1.03 0.00 0.00 179.24 178.05 1sfr h LEU 219 N 0.00 0.00 0.00 0.15 3.38 -1.98 -3.48 115.31 113.37 1sfr h LEU 219 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sfr h LEU 219 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1sfr h LEU 219 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1sfr n GLY 220 N -0.89 0.45 2.50 0.83 0.00 -0.75 -4.88 105.19 102.44 1sfr n GLY 220 Ca -0.02 -1.79 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.37 3.49 -0.02 0.00 -1.26 -4.23 105.19 102.81 1sfr n GLY 221 Ca 0.00 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.36 6.70 -0.06 1.61 2.47 -1.26 -4.64 114.94 117.40 1sfr s ASN 222 Ca 0.08 -2.11 -0.19 0.00 0.42 0.00 0.00 52.86 51.07 1sfr s ASN 222 Cb -0.04 -2.46 0.04 0.00 -1.45 0.00 0.00 41.25 37.34 1sfr s ASN 222 CO 0.10 -1.13 0.42 0.54 -3.72 0.00 0.00 177.10 173.31 1sfr s ASN 223 N 3.89 -0.36 0.19 -4.21 2.20 -1.26 -5.08 114.94 110.31 1sfr s ASN 223 Ca 0.40 0.41 -0.19 0.00 -0.94 0.00 0.00 52.86 52.54 1sfr s ASN 223 Cb -0.02 0.50 0.14 0.00 -2.00 0.00 0.00 41.25 39.87 1sfr s ASN 223 CO -0.06 -0.42 1.61 0.25 -2.94 0.00 0.00 177.10 175.54 1sfr h LEU 224 N 4.02 -0.87 -0.29 3.54 5.85 -1.99 -1.38 115.31 124.19 1sfr h LEU 224 Ca -0.28 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1sfr h LEU 224 Cb 1.17 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 1sfr h LEU 224 CO 0.36 -0.27 -0.03 -0.65 -0.34 0.00 0.00 178.44 177.51 1sfr h PRO 225 N -0.13 0.05 -0.40 5.25 0.11 -1.98 0.19 132.00 135.10 1sfr h PRO 225 Ca 0.24 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1sfr h PRO 225 Cb 0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1sfr h PRO 225 CO -0.60 0.03 0.17 0.00 -0.21 0.00 0.00 178.00 177.39 1sfr h ALA 226 N 1.27 1.55 -0.02 -0.75 0.00 -1.74 -1.44 119.26 118.12 1sfr h ALA 226 Ca 0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1sfr h ALA 226 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1sfr h ALA 226 CO -0.26 0.36 -0.14 0.87 0.00 0.00 0.00 179.25 180.08 1sfr h LYS 227 N 0.56 0.13 -0.51 0.00 1.57 -0.40 0.97 116.57 118.90 1sfr h LYS 227 Ca 0.14 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1sfr h LYS 227 Cb 0.10 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1sfr h LYS 227 CO -0.02 0.80 0.23 0.35 -0.57 0.00 0.00 179.45 180.24 1sfr h PHE 228 N -0.51 0.75 -0.18 -1.35 3.57 -0.50 -2.06 116.94 116.66 1sfr h PHE 228 Ca -0.01 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.46 1sfr h PHE 228 Cb 0.84 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1sfr h PHE 228 CO 0.16 0.61 0.05 -0.07 -2.23 0.00 0.00 178.31 176.83 1sfr h LEU 229 N 0.68 0.05 0.15 0.59 3.38 -1.38 0.16 115.31 118.95 1sfr h LEU 229 Ca 0.17 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1sfr h LEU 229 Cb 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1sfr h LEU 229 CO -0.02 0.06 -0.20 -0.08 0.09 0.00 0.00 178.44 178.29 1sfr h GLU 230 N 0.14 -0.39 -0.78 1.13 4.57 -1.42 0.03 114.58 117.86 1sfr h GLU 230 Ca 0.08 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.39 1sfr h GLU 230 Cb 0.05 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.66 1sfr h GLU 230 CO -0.09 -0.26 0.41 0.78 -1.18 0.00 0.00 179.01 178.67 1sfr h GLY 231 N -0.41 1.20 0.92 1.92 0.00 -1.11 -1.52 103.07 104.07 1sfr h GLY 231 Ca 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1sfr h GLY 231 CO -0.09 0.07 0.06 -2.75 0.00 0.00 0.00 176.54 173.83 1sfr h PHE 232 N 0.67 0.16 0.00 5.60 3.57 -0.00 -3.04 116.94 123.89 1sfr h PHE 232 Ca 0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1sfr h PHE 232 Cb 0.42 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1sfr h PHE 232 CO -0.09 0.20 0.00 1.33 -2.23 0.00 0.00 178.31 177.52 1sfr n VAL 233 N -4.95 0.52 -0.28 1.41 0.24 -0.07 -3.60 118.33 111.61 1sfr n VAL 233 Ca -0.05 -0.11 0.04 0.00 -2.04 0.00 0.00 64.34 62.18 1sfr n VAL 233 Cb 0.08 -0.68 0.26 0.00 -1.47 0.00 0.00 33.84 32.03 1sfr n VAL 233 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1sfr h ARG 234 N 0.00 0.95 -0.31 7.34 2.43 -1.16 -2.68 114.38 120.95 1sfr h ARG 234 Ca 0.00 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1sfr h ARG 234 Cb 0.60 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1sfr h ARG 234 CO 0.00 0.63 -0.02 1.15 -1.51 0.00 0.00 179.97 180.22 1sfr h THR 235 N 0.98 0.75 -0.24 0.20 2.02 -1.70 -0.44 112.91 114.48 1sfr h THR 235 Ca 0.37 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.50 1sfr h THR 235 Cb 0.19 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1sfr h THR 235 CO -0.13 0.01 0.04 0.77 0.37 0.00 0.00 175.52 176.58 1sfr h SER 236 N 0.07 0.31 -0.30 4.18 4.64 -1.72 -0.94 113.55 119.79 1sfr h SER 236 Ca 0.15 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1sfr h SER 236 Cb 0.21 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1sfr h SER 236 CO -0.27 0.34 -0.19 0.78 -0.87 0.00 0.00 176.83 176.62 1sfr h ASN 237 N 0.34 0.78 -0.20 4.97 2.35 -0.97 -0.58 115.58 122.27 1sfr h ASN 237 Ca 0.08 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.46 1sfr h ASN 237 Cb 0.17 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1sfr h ASN 237 CO -0.00 0.96 -0.30 0.40 -1.65 0.00 0.00 177.43 176.84 1sfr h ILE 238 N 0.68 1.33 -0.89 2.81 1.08 -0.50 -1.78 117.51 120.23 1sfr h ILE 238 Ca 0.10 -1.51 0.06 0.00 -0.39 0.00 0.00 64.86 63.12 1sfr h ILE 238 Cb 0.69 1.83 -0.06 0.00 -3.07 0.00 0.00 36.82 36.22 1sfr h ILE 238 CO 0.05 0.47 0.58 0.11 -0.69 0.00 0.00 178.15 178.67 1sfr h LYS 239 N 0.23 0.98 -0.12 2.37 1.57 -1.02 -0.10 116.57 120.48 1sfr h LYS 239 Ca 0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1sfr h LYS 239 Cb 0.88 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1sfr h LYS 239 CO 0.07 0.65 0.02 0.35 -0.57 0.00 0.00 179.45 179.97 1sfr h PHE 240 N 1.01 0.21 -0.32 -1.35 3.04 -0.91 -0.30 116.94 118.32 1sfr h PHE 240 Ca 0.38 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.35 1sfr h PHE 240 Cb 0.20 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.61 1sfr h PHE 240 CO -0.00 0.39 0.05 0.37 -2.02 0.00 0.00 178.31 177.10 1sfr h GLN 241 N -0.02 0.16 -0.62 1.11 4.15 -0.63 0.36 115.11 119.61 1sfr h GLN 241 Ca 0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1sfr h GLN 241 Cb 0.29 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1sfr h GLN 241 CO 0.00 0.10 0.36 -0.44 -1.93 0.00 0.00 178.83 176.93 1sfr h ASP 242 N 0.16 0.76 0.13 -0.69 3.32 -0.91 0.11 116.42 119.31 1sfr h ASP 242 Ca 0.15 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1sfr h ASP 242 Cb 0.18 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1sfr h ASP 242 CO -0.21 0.61 -0.06 0.00 -1.72 0.00 0.00 179.24 177.86 1sfr h ALA 243 N 1.18 -0.18 -0.41 3.45 0.00 -0.48 0.27 119.26 123.09 1sfr h ALA 243 Ca 0.22 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1sfr h ALA 243 Cb 0.01 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1sfr h ALA 243 CO -0.04 -0.52 -0.08 -0.92 0.00 0.00 0.00 179.25 177.69 1sfr h TYR 244 N -0.34 -0.18 0.08 0.00 3.20 -0.02 0.23 116.97 119.95 1sfr h TYR 244 Ca -0.02 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1sfr h TYR 244 Cb 0.27 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.68 1sfr h TYR 244 CO -0.02 -0.16 -0.04 -0.91 -1.64 0.00 0.00 178.16 175.39 1sfr h ASN 245 N 0.02 -0.10 -0.96 -2.11 2.35 -0.64 -0.61 115.58 113.54 1sfr h ASN 245 Ca 0.20 -0.19 0.12 0.00 -0.55 0.00 0.00 56.30 55.88 1sfr h ASN 245 Cb 0.30 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.62 1sfr h ASN 245 CO -0.40 0.14 0.61 0.00 -1.65 0.00 0.00 177.43 176.13 1sfr h ALA 246 N 0.56 1.61 0.00 -0.83 0.00 0.05 -1.03 119.26 119.63 1sfr h ALA 246 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sfr h ALA 246 Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sfr h ALA 246 CO 0.02 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1sfr n GLY 247 N -1.38 -0.81 0.41 0.00 0.00 0.76 -4.86 105.19 99.31 1sfr n GLY 247 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.46 0.74 3.70 -0.02 0.00 -0.39 -5.03 105.19 104.66 1sfr n GLY 248 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1sfr n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfr n GLY 249 N -2.08 0.62 1.31 -0.02 0.00 -0.25 -4.92 105.19 99.87 1sfr n GLY 249 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.31 1sfr n GLY 249 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1sfr n HIS 250 N 0.22 0.00 -2.66 1.61 1.44 -1.26 -4.70 115.22 109.86 1sfr n HIS 250 Ca 0.05 -0.48 0.01 0.00 -2.01 0.00 0.00 57.72 55.29 1sfr n HIS 250 Cb 0.37 0.05 0.04 0.00 0.12 0.00 0.00 29.99 30.57 1sfr n HIS 250 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1sfr n ASN 251 N 0.33 1.13 -4.54 4.39 4.05 -1.26 -5.11 115.26 114.25 1sfr n ASN 251 Ca -0.04 -2.02 -0.24 0.00 0.45 0.00 0.00 54.58 52.72 1sfr n ASN 251 Cb 1.00 -0.33 -0.09 0.00 1.23 0.00 0.00 39.78 41.58 1sfr n ASN 251 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1sfr s GLY 252 N -2.84 1.76 -0.08 8.20 0.00 -1.26 -1.73 107.32 111.37 1sfr s GLY 252 Ca 0.28 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1sfr s GLY 252 CO -0.10 -1.76 -0.12 0.14 0.00 0.00 0.00 173.10 171.27 1sfr s VAL 253 N -2.20 1.14 -0.22 1.40 1.01 0.16 -4.95 120.40 116.74 1sfr s VAL 253 Ca 0.28 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1sfr s VAL 253 Cb -0.07 -1.06 0.05 0.00 0.00 0.00 0.00 36.38 35.31 1sfr s VAL 253 CO 0.16 0.36 -0.09 -0.36 0.00 0.00 0.00 175.10 175.17 1sfr s PHE 254 N 0.85 2.59 -0.49 5.22 0.08 -1.26 -1.18 117.98 123.79 1sfr s PHE 254 Ca -0.11 -1.80 -0.05 0.00 0.12 0.00 0.00 56.93 55.10 1sfr s PHE 254 Cb -0.15 -1.68 0.13 0.00 -0.57 0.00 0.00 43.02 40.74 1sfr s PHE 254 CO 0.01 -0.78 0.31 0.34 -0.10 0.00 0.00 175.22 175.00 1sfr s ASP 255 N 1.33 5.39 -0.66 1.36 3.68 -0.61 -4.98 116.67 122.18 1sfr s ASP 255 Ca -0.04 -2.23 0.06 0.00 2.13 0.00 0.00 52.55 52.47 1sfr s ASP 255 Cb -0.18 -1.88 0.21 0.00 -1.45 0.00 0.00 42.92 39.62 1sfr s ASP 255 CO -0.07 -0.53 0.61 0.49 0.13 0.00 0.00 175.17 175.80 1sfr n PHE 256 N 4.37 3.26 -0.99 -5.34 3.72 -1.26 -2.13 117.46 119.09 1sfr n PHE 256 Ca -0.01 -4.20 -0.30 0.00 -0.05 0.00 0.00 57.45 52.90 1sfr n PHE 256 Cb 0.40 -0.57 0.24 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.91 -1.31 -0.41 -1.08 0.04 -1.25 -4.91 135.00 124.16 1sfr s PRO 257 Ca 0.33 0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.39 1sfr s PRO 257 Cb 0.06 -1.58 0.41 0.00 0.04 0.00 0.00 34.50 33.43 1sfr s PRO 257 CO -0.09 -3.79 1.85 -3.47 0.04 0.00 0.00 177.00 171.54 1sfr n ASP 258 N -4.83 5.25 -3.15 6.66 2.03 -1.26 -4.05 116.55 117.20 1sfr n ASP 258 Ca 0.12 -3.30 -0.08 0.00 0.52 0.00 0.00 54.79 52.05 1sfr n ASP 258 Cb 0.59 -0.88 0.01 0.00 -0.72 0.00 0.00 41.12 40.13 1sfr n ASP 258 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1sfr s SER 259 N -0.75 -0.04 0.00 1.67 1.04 -1.26 -4.77 113.70 109.59 1sfr s SER 259 Ca 0.45 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1sfr s SER 259 Cb 0.36 0.82 0.00 0.00 0.10 0.00 0.00 66.02 67.30 1sfr s SER 259 CO 0.04 -1.61 0.00 0.61 0.98 0.00 0.00 173.24 173.26 1sfr n GLY 260 N -0.51 2.28 1.60 7.32 0.00 0.44 -2.86 105.19 113.46 1sfr n GLY 260 Ca -0.07 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 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 1.77 0.00 -1.89 2.61 -2.24 -1.26 -1.40 114.28 111.87 1sfr n THR 261 Ca 0.00 -1.09 -0.41 0.00 -2.27 0.00 0.00 64.05 60.28 1sfr n THR 261 Cb 0.00 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.51 2.93 -3.94 4.78 -0.00 0.33 -4.83 115.22 113.98 1sfr n HIS 262 Ca -0.07 -2.91 -0.09 0.00 0.46 0.00 0.00 57.72 55.12 1sfr n HIS 262 Cb 0.29 -2.21 -0.09 0.00 -0.12 0.00 0.00 29.99 27.86 1sfr n HIS 262 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1sfr s SER 263 N 1.69 0.23 0.54 0.26 1.04 -1.26 -4.77 113.70 111.43 1sfr s SER 263 Ca 0.51 -0.69 0.23 0.00 0.48 0.00 0.00 55.95 56.47 1sfr s SER 263 Cb 0.14 0.27 1.42 0.00 0.10 0.00 0.00 66.02 67.95 1sfr s SER 263 CO -0.05 -0.62 2.08 -0.50 0.98 0.00 0.00 173.24 175.12 1sfr h TRP 264 N 3.15 0.00 -1.00 5.02 4.06 -1.96 -2.79 115.95 122.44 1sfr h TRP 264 Ca -0.33 0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.67 1sfr h TRP 264 Cb 1.18 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.27 1sfr h TRP 264 CO 0.49 0.00 0.65 0.93 -3.56 0.00 0.00 178.44 176.95 1sfr h GLU 265 N 0.00 1.15 -0.11 0.49 3.07 -1.89 -0.63 114.58 116.67 1sfr h GLU 265 Ca 0.12 -0.07 -0.19 0.00 -0.50 0.00 0.00 59.36 58.73 1sfr h GLU 265 Cb 0.53 -0.26 0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1sfr h GLU 265 CO -0.00 0.76 -0.66 1.88 -1.40 0.00 0.00 179.01 179.59 1sfr h TYR 266 N 1.19 0.87 -0.42 4.33 0.05 -1.82 -2.70 116.97 118.48 1sfr h TYR 266 Ca 0.42 -0.40 -0.07 0.00 0.05 0.00 0.00 58.73 58.74 1sfr h TYR 266 Cb 0.13 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 1sfr h TYR 266 CO -0.00 1.21 -0.02 -1.49 -1.05 0.00 0.00 178.16 176.81 1sfr h TRP 267 N 0.29 0.73 0.30 4.88 6.55 -1.47 -1.31 115.95 125.92 1sfr h TRP 267 Ca -0.05 -0.10 -0.01 0.00 0.95 0.00 0.00 58.89 59.68 1sfr h TRP 267 Cb 1.31 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 29.41 1sfr h TRP 267 CO 0.10 0.70 -0.14 0.78 -1.05 0.00 0.00 178.44 178.83 1sfr h GLY 268 N 0.94 -0.42 0.17 1.49 0.00 -1.17 -0.49 103.07 103.59 1sfr h GLY 268 Ca 0.13 0.16 0.18 0.00 0.00 0.00 0.00 47.33 47.79 1sfr h GLY 268 CO 0.02 -0.15 0.58 0.00 0.00 0.00 0.00 176.54 176.99 1sfr h ALA 269 N -0.12 1.59 -0.48 3.60 0.00 -1.33 -0.21 119.26 122.32 1sfr h ALA 269 Ca -0.04 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1sfr h ALA 269 Cb 0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sfr h ALA 269 CO 0.07 -0.03 -0.02 0.37 0.00 0.00 0.00 179.25 179.64 1sfr h GLN 270 N 0.76 0.86 -0.32 0.00 5.75 -1.06 -0.54 115.11 120.56 1sfr h GLN 270 Ca 0.56 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1sfr h GLN 270 Cb 0.83 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1sfr h GLN 270 CO -0.37 0.91 0.00 1.25 -2.65 0.00 0.00 178.83 177.97 1sfr h LEU 271 N 0.71 0.46 -0.23 -2.39 5.85 0.60 -1.41 115.31 118.91 1sfr h LEU 271 Ca 0.13 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 1sfr h LEU 271 Cb 0.54 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1sfr h LEU 271 CO 0.03 0.53 -0.47 -1.13 -0.34 0.00 0.00 178.44 177.05 1sfr h ASN 272 N 0.48 0.81 -0.31 1.25 -0.00 -0.95 -3.09 115.58 113.77 1sfr h ASN 272 Ca 0.10 -0.55 0.03 0.00 -0.00 0.00 0.00 56.30 55.88 1sfr h ASN 272 Cb 0.31 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 1sfr h ASN 272 CO 0.01 1.21 0.21 0.00 -0.00 0.00 0.00 177.43 178.86 1sfr h ALA 273 N 0.62 1.90 -0.25 1.57 0.00 -0.45 -2.60 119.26 120.05 1sfr h ALA 273 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sfr h ALA 273 Cb 1.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sfr h ALA 273 CO 0.10 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1sfr n MET 274 N -4.49 1.96 0.26 0.00 0.00 -0.59 -4.49 117.12 109.76 1sfr n MET 274 Ca 0.03 -1.44 -0.17 0.00 0.00 0.00 0.00 57.70 56.11 1sfr n MET 274 Cb 0.15 -1.42 -0.09 0.00 0.00 0.00 0.00 33.22 31.86 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 2.82 -0.88 -0.63 3.17 3.64 -1.43 -0.66 116.57 122.60 1sfr h LYS 275 Ca 0.00 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1sfr h LYS 275 Cb 0.62 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 1sfr h LYS 275 CO 0.00 -0.58 0.42 -1.00 -2.27 0.00 0.00 179.45 176.01 1sfr h PRO 276 N -0.91 0.71 -0.54 1.90 0.13 -1.82 -0.94 132.00 130.53 1sfr h PRO 276 Ca -0.04 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1sfr h PRO 276 Cb 0.81 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1sfr h PRO 276 CO -0.09 0.47 0.16 0.22 -0.23 0.00 0.00 178.00 178.53 1sfr h ASP 277 N 0.73 0.80 -0.35 1.44 3.58 -1.77 -2.31 116.42 118.54 1sfr h ASP 277 Ca 0.26 -0.22 0.01 0.00 0.42 0.00 0.00 57.03 57.50 1sfr h ASP 277 Cb 0.11 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1sfr h ASP 277 CO -0.07 0.81 0.21 -0.07 -2.88 0.00 0.00 179.24 177.23 1sfr h LEU 278 N 0.75 0.35 -0.22 2.28 3.38 -0.04 -1.11 115.31 120.70 1sfr h LEU 278 Ca 0.17 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1sfr h LEU 278 Cb 0.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1sfr h LEU 278 CO -0.00 0.25 0.13 1.56 0.09 0.00 0.00 178.44 180.47 1sfr h GLN 279 N 0.43 0.26 0.05 1.13 4.20 -1.12 -0.74 115.11 119.31 1sfr h GLN 279 Ca 0.13 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1sfr h GLN 279 Cb -0.01 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1sfr h GLN 279 CO -0.05 0.17 -0.02 0.00 -0.67 0.00 0.00 178.83 178.26 1sfr h ARG 280 N 0.27 -0.06 -0.16 1.46 3.08 -1.22 0.24 114.38 117.99 1sfr h ARG 280 Ca 0.09 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1sfr h ARG 280 Cb -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1sfr h ARG 280 CO -0.04 -0.02 -0.25 0.00 -1.07 0.00 0.00 179.97 178.59 1sfr h ALA 281 N 0.87 1.28 -0.00 0.04 0.00 -1.11 -2.88 119.26 117.45 1sfr h ALA 281 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sfr h ALA 281 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sfr h ALA 281 CO 0.01 0.48 -0.48 1.28 0.00 0.00 0.00 179.25 180.55 1sfr n LEU 282 N -4.15 0.87 -1.02 0.00 4.77 -0.29 -4.96 117.00 112.22 1sfr n LEU 282 Ca -0.01 -0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 55.70 1sfr n LEU 282 Cb 0.37 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1sfr n LEU 282 CO 0.40 0.18 0.02 0.61 -1.33 0.00 0.00 177.39 177.27 1sfr n GLY 283 N 1.44 0.45 3.76 -0.72 0.00 -0.05 -4.80 105.19 105.26 1sfr n GLY 283 Ca 0.08 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1sfr n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfr s ALA 284 N -2.80 2.82 -0.32 4.61 0.00 0.64 -4.94 121.76 121.77 1sfr s ALA 284 Ca 0.09 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1sfr s ALA 284 Cb -0.04 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.74 1sfr s ALA 284 CO 0.12 -0.90 0.00 0.99 0.00 0.00 0.00 175.76 175.97 1sfr s THR 285 N -1.55 2.40 0.36 0.00 2.01 -1.26 -4.88 115.64 112.72 1sfr s THR 285 Ca 0.69 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 60.46 1sfr s THR 285 Cb -0.30 -2.60 -0.14 0.00 0.01 0.00 0.00 72.50 69.46 1sfr s THR 285 CO 0.35 -0.37 0.49 -2.65 -0.69 0.00 0.00 174.62 171.75 1sfr n PRO 286 N 4.38 0.41 -0.99 4.92 -0.02 -1.25 -3.97 135.00 138.48 1sfr n PRO 286 Ca -0.04 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1sfr n PRO 286 Cb 0.42 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1sfr n PRO 286 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57