#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfs s SER 3 N 0.00 3.44 -0.18 0.00 1.04 -0.47 -4.83 113.70 112.70 2jfs s SER 3 Ca 0.00 -1.32 -0.28 0.00 0.48 0.00 0.00 55.95 54.83 2jfs s SER 3 Cb 0.00 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 2jfs s SER 3 CO 0.00 -0.42 0.96 -0.69 0.98 0.00 0.00 173.24 174.07 2jfs s VAL 4 N -2.84 4.77 -0.14 5.02 1.01 -1.26 -0.23 120.40 126.73 2jfs s VAL 4 Ca 0.34 1.90 -0.16 0.00 0.00 0.00 0.00 61.98 64.06 2jfs s VAL 4 Cb 0.08 -4.25 -0.24 0.00 0.00 0.00 0.00 36.38 31.96 2jfs s VAL 4 CO 0.17 -0.07 0.41 0.25 0.00 0.00 0.00 175.10 175.85 2jfs h LEU 5 N 8.76 0.25 -7.07 3.92 5.85 -0.97 -3.46 115.31 122.59 2jfs h LEU 5 Ca -0.25 -0.77 -0.04 0.00 0.84 0.00 0.00 57.88 57.66 2jfs h LEU 5 Cb 1.10 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.90 2jfs h LEU 5 CO 0.90 1.61 0.15 -0.44 -0.34 0.00 0.00 178.44 180.32 2jfs s SER 6 N -6.94 -0.55 0.09 1.25 0.01 -1.18 -5.01 113.70 101.37 2jfs s SER 6 Ca -0.23 0.23 -0.14 0.00 1.31 0.00 0.00 55.95 57.11 2jfs s SER 6 Cb 0.05 0.55 0.02 0.00 0.21 0.00 0.00 66.02 66.86 2jfs s SER 6 CO 0.71 -0.80 0.34 0.00 0.41 0.00 0.00 173.24 173.89 2jfs s ALA 7 N -2.73 -0.75 0.10 1.44 0.00 -1.26 -0.78 121.76 117.80 2jfs s ALA 7 Ca -0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.68 2jfs s ALA 7 Cb -0.01 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2jfs s ALA 7 CO -0.04 -0.54 0.34 0.00 0.00 0.00 0.00 175.76 175.52 2jfs s ALA 8 N -3.39 -0.73 0.05 0.00 0.00 -0.26 -4.85 121.76 112.58 2jfs s ALA 8 Ca 0.01 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2jfs s ALA 8 Cb 0.02 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2jfs s ALA 8 CO -0.09 -0.58 -0.05 0.95 0.00 0.00 0.00 175.76 175.99 2jfs s THR 9 N -3.64 0.35 -0.04 0.00 -4.23 -1.26 -0.76 115.64 106.07 2jfs s THR 9 Ca 0.02 -1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 2jfs s THR 9 Cb 0.02 -0.88 0.02 0.00 1.34 0.00 0.00 72.50 73.01 2jfs s THR 9 CO -0.11 -0.64 0.28 0.00 -0.54 0.00 0.00 174.62 173.61 2jfs s ALA 10 N -2.35 -0.69 0.01 3.99 0.00 -0.41 -4.95 121.76 117.36 2jfs s ALA 10 Ca -0.05 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.34 2jfs s ALA 10 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2jfs s ALA 10 CO -0.03 -0.21 -0.05 -0.08 0.00 0.00 0.00 175.76 175.38 2jfs s THR 11 N -0.87 0.41 -0.08 0.00 -1.32 -1.26 -0.82 115.64 111.69 2jfs s THR 11 Ca -0.10 -0.43 -0.05 0.00 -1.21 0.00 0.00 61.69 59.91 2jfs s THR 11 Cb -0.05 -0.38 0.03 0.00 -1.51 0.00 0.00 72.50 70.59 2jfs s THR 11 CO 0.03 -0.02 0.19 -0.62 -2.21 0.00 0.00 174.62 171.98 2jfs s ASP 12 N -0.49 -0.19 0.32 8.08 2.15 0.34 -4.99 116.67 121.89 2jfs s ASP 12 Ca -0.01 0.40 0.06 0.00 0.43 0.00 0.00 52.55 53.43 2jfs s ASP 12 Cb -0.04 0.33 0.54 0.00 -0.30 0.00 0.00 42.92 43.45 2jfs s ASP 12 CO -0.00 -0.12 1.77 -0.61 -0.17 0.00 0.00 175.17 176.04 2jfs h GLN 13 N 6.74 0.30 -0.18 4.34 4.15 -1.91 -0.40 115.11 128.15 2jfs h GLN 13 Ca -0.36 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 58.97 2jfs h GLN 13 Cb 1.17 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2jfs h GLN 13 CO 0.40 0.57 -0.06 0.41 -1.93 0.00 0.00 178.83 178.21 2jfs n GLY 14 N -0.45 -2.30 0.02 2.39 0.00 -1.26 -3.47 105.19 100.12 2jfs n GLY 14 Ca -0.01 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.68 2jfs n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jfs n PRO 15 N -2.38 0.03 -0.11 1.61 -0.04 -1.25 -4.36 135.00 128.50 2jfs n PRO 15 Ca -0.00 0.07 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 2jfs n PRO 15 Cb 0.04 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.88 2jfs n PRO 15 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jfs n VAL 16 N -1.61 1.41 -2.21 0.52 0.31 -1.24 -5.01 118.33 110.50 2jfs n VAL 16 Ca 0.06 -0.21 -0.38 0.00 -0.01 0.00 0.00 64.34 63.80 2jfs n VAL 16 Cb 0.32 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 2jfs n VAL 16 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2jfs s ARG 17 N -2.56 3.81 0.51 5.55 1.81 -1.26 -4.94 118.95 121.87 2jfs s ARG 17 Ca -0.33 1.87 0.30 0.00 -1.72 0.00 0.00 55.73 55.85 2jfs s ARG 17 Cb 0.11 -2.50 0.99 0.00 -0.45 0.00 0.00 34.95 33.10 2jfs s ARG 17 CO 0.43 -0.53 1.85 0.93 -0.68 0.00 0.00 175.30 177.30 2jfs h GLU 18 N 2.23 0.00 -3.87 3.54 3.07 -1.93 -3.46 114.58 114.15 2jfs h GLU 18 Ca -0.49 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.18 2jfs h GLU 18 Cb 1.25 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.08 2jfs h GLU 18 CO 0.61 0.00 -0.12 0.54 -1.40 0.00 0.00 179.01 178.63 2jfs s ASN 19 N -5.88 0.52 -0.32 1.42 2.20 -1.26 -5.13 114.94 106.49 2jfs s ASN 19 Ca 0.03 -1.30 -0.06 0.00 -0.94 0.00 0.00 52.86 50.59 2jfs s ASN 19 Cb 0.07 0.66 0.03 0.00 -2.00 0.00 0.00 41.25 40.01 2jfs s ASN 19 CO 0.59 -1.30 0.08 0.21 -2.94 0.00 0.00 177.10 173.75 2jfs s ASN 20 N -3.16 5.19 0.00 3.54 3.84 -1.26 -4.88 114.94 118.21 2jfs s ASN 20 Ca 0.27 -0.98 0.19 0.00 0.21 0.00 0.00 52.86 52.55 2jfs s ASN 20 Cb -0.01 -1.86 0.36 0.00 -0.55 0.00 0.00 41.25 39.20 2jfs s ASN 20 CO 0.16 -0.27 1.30 0.00 -2.79 0.00 0.00 177.10 175.50 2jfs n GLN 21 N 4.82 2.30 -2.33 0.43 6.02 -1.26 -4.77 117.38 122.58 2jfs n GLN 21 Ca -0.13 -2.11 -0.31 0.00 -0.01 0.00 0.00 57.00 54.44 2jfs n GLN 21 Cb 0.46 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.27 2jfs n GLN 21 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jfs s ASP 22 N -1.30 6.44 0.04 1.08 1.01 -1.26 -0.89 116.67 121.79 2jfs s ASP 22 Ca 0.33 1.38 -0.05 0.00 0.71 0.00 0.00 52.55 54.92 2jfs s ASP 22 Cb 0.19 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 2jfs s ASP 22 CO 0.27 -0.64 0.08 0.00 0.21 0.00 0.00 175.17 175.08 2jfs s ALA 23 N -2.77 -0.02 0.14 5.23 0.00 0.31 -4.92 121.76 119.73 2jfs s ALA 23 Ca 0.55 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 2jfs s ALA 23 Cb -0.10 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2jfs s ALA 23 CO 0.40 -0.32 0.13 0.00 0.00 0.00 0.00 175.76 175.97 2jfs s LEU 25 N -3.02 1.16 -0.35 0.00 2.96 -0.08 -4.97 118.68 114.38 2jfs s LEU 25 Ca 0.22 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2jfs s LEU 25 Cb 0.06 0.37 0.16 0.00 0.50 0.00 0.00 46.19 47.28 2jfs s LEU 25 CO 0.01 -0.09 0.44 0.00 -1.32 0.00 0.00 176.35 175.39 2jfs s ALA 26 N 0.59 -1.09 -0.19 5.97 0.00 -1.26 -0.94 121.76 124.85 2jfs s ALA 26 Ca -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 2jfs s ALA 26 Cb -0.06 -2.21 0.08 0.00 0.00 0.00 0.00 23.12 20.93 2jfs s ALA 26 CO -0.03 -2.03 0.15 0.16 0.00 0.00 0.00 175.76 174.01 2jfs s ASP 27 N 1.87 1.99 1.44 0.00 -4.77 -0.21 -5.03 116.67 111.96 2jfs s ASP 27 Ca 0.14 -0.49 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 2jfs s ASP 27 Cb -0.12 0.02 0.00 0.00 -1.09 0.00 0.00 42.92 41.73 2jfs s ASP 27 CO -0.13 -0.35 0.00 0.61 0.70 0.00 0.00 175.17 176.01 2jfs n GLY 28 N 5.30 1.64 0.72 2.12 0.00 -1.26 -1.90 105.19 111.80 2jfs n GLY 28 Ca -0.06 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.05 2jfs n GLY 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jfs n ILE 29 N 0.00 0.06 -4.00 -0.61 -5.35 -1.26 -4.97 119.36 103.23 2jfs n ILE 29 Ca 0.00 -0.53 -0.35 0.00 -0.27 0.00 0.00 62.75 61.60 2jfs n ILE 29 Cb 0.00 1.32 -0.11 0.00 -1.74 0.00 0.00 39.64 39.10 2jfs n ILE 29 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2jfs s LEU 30 N -1.44 3.56 -0.01 7.28 2.96 -0.80 -0.28 118.68 129.96 2jfs s LEU 30 Ca 0.21 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2jfs s LEU 30 Cb 0.15 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2jfs s LEU 30 CO 0.22 0.10 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.95 2jfs s TYR 31 N 0.82 0.79 0.03 5.38 2.02 -0.24 -1.05 117.35 125.11 2jfs s TYR 31 Ca 0.03 -0.15 -0.26 0.00 -0.37 0.00 0.00 57.07 56.32 2jfs s TYR 31 Cb -0.14 -0.51 0.06 0.00 -0.40 0.00 0.00 41.96 40.97 2jfs s TYR 31 CO 0.02 -0.01 0.59 0.00 -1.57 0.00 0.00 175.55 174.58 2jfs s ALA 32 N -0.20 -1.54 0.01 3.71 0.00 -0.11 -0.24 121.76 123.39 2jfs s ALA 32 Ca 0.03 0.84 0.06 0.00 0.00 0.00 0.00 51.96 52.90 2jfs s ALA 32 Cb -0.03 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 2jfs s ALA 32 CO -0.00 -0.50 -0.19 0.08 0.00 0.00 0.00 175.76 175.14 2jfs s VAL 33 N -2.21 1.52 -0.07 0.00 1.01 -0.41 -0.90 120.40 119.34 2jfs s VAL 33 Ca -0.06 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2jfs s VAL 33 Cb -0.01 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.10 2jfs s VAL 33 CO 0.01 0.29 -0.05 0.00 0.00 0.00 0.00 175.10 175.35 2jfs s ALA 34 N -0.62 0.93 -0.45 5.51 0.00 -0.20 -1.13 121.76 125.80 2jfs s ALA 34 Ca 0.07 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 2jfs s ALA 34 Cb -0.08 -0.66 0.11 0.00 0.00 0.00 0.00 23.12 22.49 2jfs s ALA 34 CO 0.00 -0.22 0.31 0.34 0.00 0.00 0.00 175.76 176.19 2jfs s ASP 35 N 1.38 5.65 0.57 0.00 -1.08 -1.21 -0.53 116.67 121.44 2jfs s ASP 35 Ca -0.03 -1.78 -0.16 0.00 -0.52 0.00 0.00 52.55 50.06 2jfs s ASP 35 Cb -0.13 -1.99 -0.05 0.00 -1.46 0.00 0.00 42.92 39.29 2jfs s ASP 35 CO -0.03 -0.63 1.04 -0.83 0.52 0.00 0.00 175.17 175.24 2jfs s GLY 36 N 2.44 2.11 0.06 2.66 0.00 -0.07 -1.34 107.32 113.18 2jfs s GLY 36 Ca 0.05 0.33 -0.05 0.00 0.00 0.00 0.00 44.72 45.05 2jfs s GLY 36 CO -0.00 0.64 0.09 -0.11 0.00 0.00 0.00 173.10 173.72 2jfs s PHE 37 N -2.50 0.30 0.00 1.90 -0.12 -0.13 -4.76 117.98 112.67 2jfs s PHE 37 Ca 0.62 -0.75 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 2jfs s PHE 37 Cb -0.14 -0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.04 2jfs s PHE 37 CO 0.35 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.49 2jfs n GLY 38 N 0.17 -0.16 0.27 1.99 0.00 -1.26 -1.85 105.19 104.35 2jfs n GLY 38 Ca -0.15 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.13 2jfs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfs h ALA 39 N 0.00 1.67 -0.15 4.61 0.00 -1.93 -1.74 119.26 121.73 2jfs h ALA 39 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2jfs h ALA 39 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 2jfs h ALA 39 CO 0.00 0.06 -0.52 0.54 0.00 0.00 0.00 179.25 179.34 2jfs n ARG 40 N -4.12 1.94 -0.01 0.00 1.74 -1.26 -4.79 116.66 110.15 2jfs n ARG 40 Ca -0.03 -3.44 0.15 0.00 -0.77 0.00 0.00 57.85 53.76 2jfs n ARG 40 Cb 0.13 -1.74 0.59 0.00 -1.02 0.00 0.00 32.46 30.42 2jfs n ARG 40 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2jfs h GLY 41 N 1.20 0.30 1.28 -0.13 0.00 -1.28 -1.27 103.07 103.17 2jfs h GLY 41 Ca 0.08 -0.08 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2jfs h GLY 41 CO 0.16 0.05 -0.37 1.12 0.00 0.00 0.00 176.54 177.49 2jfs h HIS 42 N 0.21 0.94 -0.40 5.60 -0.00 -1.84 -1.12 115.15 118.54 2jfs h HIS 42 Ca 0.24 -0.27 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 2jfs h HIS 42 Cb 0.67 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 2jfs h HIS 42 CO -0.00 1.04 -0.05 0.45 -0.00 0.00 0.00 177.93 179.38 2jfs h HIS 43 N 0.65 0.71 0.01 6.12 -0.00 -1.63 -2.27 115.15 118.74 2jfs h HIS 43 Ca 0.06 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2jfs h HIS 43 Cb 0.93 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 2jfs h HIS 43 CO 0.05 0.70 -0.00 0.00 -0.00 0.00 0.00 177.93 178.68 2jfs h ALA 44 N 1.33 -0.01 -0.71 2.45 0.00 -1.02 -1.70 119.26 119.60 2jfs h ALA 44 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2jfs h ALA 44 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2jfs h ALA 44 CO 0.02 -0.32 0.17 0.66 0.00 0.00 0.00 179.25 179.78 2jfs h SER 45 N -0.38 1.09 -0.36 0.00 4.64 -1.22 -0.80 113.55 116.52 2jfs h SER 45 Ca -0.00 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 2jfs h SER 45 Cb 0.38 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2jfs h SER 45 CO 0.00 1.04 -0.01 0.00 -0.87 0.00 0.00 176.83 176.99 2jfs h ALA 46 N 1.09 0.48 -0.61 5.18 0.00 -1.45 -2.36 119.26 121.58 2jfs h ALA 46 Ca 0.22 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2jfs h ALA 46 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jfs h ALA 46 CO 0.00 0.25 0.10 1.15 0.00 0.00 0.00 179.25 180.76 2jfs h THR 47 N 0.44 1.26 -0.43 0.00 2.02 -1.16 -1.28 112.91 113.77 2jfs h THR 47 Ca 0.10 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.29 2jfs h THR 47 Cb 0.47 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2jfs h THR 47 CO 0.02 0.37 0.27 0.00 0.37 0.00 0.00 175.52 176.55 2jfs h ALA 48 N 1.02 0.54 -0.06 6.16 0.00 -0.98 -1.60 119.26 124.35 2jfs h ALA 48 Ca 0.19 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 2jfs h ALA 48 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jfs h ALA 48 CO 0.01 -0.04 -0.78 -0.07 0.00 0.00 0.00 179.25 178.37 2jfs h LEU 49 N 0.54 0.46 -0.57 0.00 3.38 -1.21 0.01 115.31 117.92 2jfs h LEU 49 Ca 0.17 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2jfs h LEU 49 Cb -0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2jfs h LEU 49 CO -0.06 1.07 0.29 0.50 0.09 0.00 0.00 178.44 180.33 2jfs h LYS 50 N 0.24 0.80 -0.40 1.13 3.64 -1.16 -0.49 116.57 120.33 2jfs h LYS 50 Ca -0.04 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.11 2jfs h LYS 50 Cb 1.36 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2jfs h LYS 50 CO 0.13 0.64 -0.26 1.15 -2.27 0.00 0.00 179.45 178.84 2jfs h THR 51 N 0.77 1.28 -0.05 1.00 2.02 -1.13 -2.10 112.91 114.70 2jfs h THR 51 Ca 0.20 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2jfs h THR 51 Cb 0.08 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2jfs h THR 51 CO -0.03 0.47 0.03 0.25 0.37 0.00 0.00 175.52 176.62 2jfs h LEU 52 N 0.70 0.06 -0.48 2.58 5.85 -0.81 -1.55 115.31 121.66 2jfs h LEU 52 Ca 0.08 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2jfs h LEU 52 Cb 0.83 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2jfs h LEU 52 CO 0.07 0.05 0.29 -1.28 -0.34 0.00 0.00 178.44 177.23 2jfs h SER 53 N 0.06 0.58 -0.50 1.25 0.87 -1.05 0.15 113.55 114.92 2jfs h SER 53 Ca 0.02 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 2jfs h SER 53 Cb -0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2jfs h SER 53 CO -0.00 0.47 0.02 0.00 -0.53 0.00 0.00 176.83 176.78 2jfs h ALA 54 N 1.14 0.67 -0.37 6.23 0.00 -1.34 -1.01 119.26 124.58 2jfs h ALA 54 Ca 0.17 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2jfs h ALA 54 Cb -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2jfs h ALA 54 CO -0.03 0.47 -0.05 0.78 0.00 0.00 0.00 179.25 180.41 2jfs h GLY 55 N 0.74 0.74 1.02 0.00 0.00 -1.04 -2.43 103.07 102.10 2jfs h GLY 55 Ca 0.14 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2jfs h GLY 55 CO 0.02 0.54 0.02 -2.75 0.00 0.00 0.00 176.54 174.37 2jfs h PHE 56 N 0.49 0.98 -0.05 5.60 3.57 -0.97 -2.54 116.94 124.02 2jfs h PHE 56 Ca 0.10 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 2jfs h PHE 56 Cb 0.54 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2jfs h PHE 56 CO 0.04 0.90 0.02 0.00 -2.23 0.00 0.00 178.31 177.05 2jfs h ALA 57 N 0.95 1.95 0.00 2.41 0.00 -1.07 -1.48 119.26 122.02 2jfs h ALA 57 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jfs h ALA 57 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jfs h ALA 57 CO 0.02 0.04 -0.64 0.00 0.00 0.00 0.00 179.25 178.67 2jfs n ALA 58 N -2.53 3.05 -2.96 0.00 0.00 -0.92 -4.57 120.51 112.57 2jfs n ALA 58 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 2jfs n ALA 58 Cb 0.09 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 2jfs n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jfs n ALA 59 N -1.78 -0.34 -2.18 0.00 0.00 -0.64 -5.08 120.51 110.48 2jfs n ALA 59 Ca 0.03 -1.73 -0.42 0.00 0.00 0.00 0.00 53.44 51.33 2jfs n ALA 59 Cb 0.42 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2jfs n ALA 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jfs n PRO 60 N 2.78 3.83 -4.17 0.00 -0.04 -0.71 -3.96 135.00 132.74 2jfs n PRO 60 Ca 0.21 -3.42 -0.17 0.00 -0.04 0.00 0.00 63.50 60.08 2jfs n PRO 60 Cb 0.54 -2.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.08 2jfs n PRO 60 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jfs s ASP 61 N 0.88 1.33 0.13 3.54 1.47 -1.26 -5.02 116.67 117.74 2jfs s ASP 61 Ca 0.45 -1.64 -0.19 0.00 1.18 0.00 0.00 52.55 52.34 2jfs s ASP 61 Cb 0.12 0.64 -0.02 0.00 -0.34 0.00 0.00 42.92 43.33 2jfs s ASP 61 CO -0.03 -1.24 1.72 -0.09 0.68 0.00 0.00 175.17 176.21 2jfs h ARG 62 N 2.08 0.08 -0.81 2.11 2.43 -1.88 0.81 114.38 119.19 2jfs h ARG 62 Ca -0.27 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2jfs h ARG 62 Cb 1.24 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 2jfs h ARG 62 CO 0.37 0.05 0.40 -0.44 -1.51 0.00 0.00 179.97 178.85 2jfs h ASP 63 N 0.08 1.04 -0.59 -3.80 3.32 -1.98 -1.90 116.42 112.60 2jfs h ASP 63 Ca 0.10 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2jfs h ASP 63 Cb 0.13 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2jfs h ASP 63 CO -0.17 0.87 0.10 1.23 -1.72 0.00 0.00 179.24 179.56 2jfs h GLY 64 N 1.17 1.08 0.76 2.75 0.00 -1.46 -1.12 103.07 106.26 2jfs h GLY 64 Ca 0.28 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2jfs h GLY 64 CO -0.04 0.64 0.00 -2.00 0.00 0.00 0.00 176.54 175.14 2jfs h LEU 65 N 0.94 0.01 -0.74 3.11 5.85 -0.59 -0.47 115.31 123.43 2jfs h LEU 65 Ca 0.19 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2jfs h LEU 65 Cb 0.40 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2jfs h LEU 65 CO 0.01 0.25 0.40 -0.07 -0.34 0.00 0.00 178.44 178.69 2jfs h LEU 66 N -0.23 0.93 -0.59 2.25 3.38 -1.27 -1.34 115.31 118.44 2jfs h LEU 66 Ca 0.00 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2jfs h LEU 66 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2jfs h LEU 66 CO 0.00 0.76 0.12 -0.08 0.09 0.00 0.00 178.44 179.33 2jfs h GLU 67 N 1.02 0.96 -0.82 1.13 4.57 -1.19 -2.28 114.58 117.97 2jfs h GLU 67 Ca 0.26 -0.24 0.05 0.00 -1.18 0.00 0.00 59.36 58.25 2jfs h GLU 67 Cb 0.05 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.47 2jfs h GLU 67 CO -0.04 0.90 0.54 0.00 -1.18 0.00 0.00 179.01 179.22 2jfs h ALA 68 N 1.02 1.55 -0.49 2.92 0.00 -0.64 0.84 119.26 124.46 2jfs h ALA 68 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jfs h ALA 68 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jfs h ALA 68 CO 0.01 0.34 0.19 0.28 0.00 0.00 0.00 179.25 180.06 2jfs h VAL 69 N 0.95 1.22 -0.73 0.00 2.07 -1.05 0.74 116.25 119.44 2jfs h VAL 69 Ca 0.34 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2jfs h VAL 69 Cb 0.14 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2jfs h VAL 69 CO -0.11 0.26 0.42 1.56 0.02 0.00 0.00 177.57 179.71 2jfs h GLN 70 N 0.66 1.01 -0.38 1.57 1.08 -0.76 -1.85 115.11 116.44 2jfs h GLN 70 Ca 0.16 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 2jfs h GLN 70 Cb 0.22 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 2jfs h GLN 70 CO -0.01 0.74 -0.14 1.96 -0.95 0.00 0.00 178.83 180.43 2jfs h GLN 71 N 1.00 0.69 -0.56 1.46 1.08 -0.58 -1.96 115.11 116.23 2jfs h GLN 71 Ca 0.26 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2jfs h GLN 71 Cb 0.01 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2jfs h GLN 71 CO -0.04 0.80 0.29 0.00 -0.95 0.00 0.00 178.83 178.92 2jfs h ALA 72 N 1.23 0.72 -0.40 3.87 0.00 -0.52 0.37 119.26 124.54 2jfs h ALA 72 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jfs h ALA 72 Cb 0.59 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2jfs h ALA 72 CO 0.04 0.26 0.17 -0.97 0.00 0.00 0.00 179.25 178.75 2jfs h ASN 73 N 0.76 0.22 -0.29 0.00 -1.24 -1.06 -1.75 115.58 112.21 2jfs h ASN 73 Ca 0.20 0.03 -0.10 0.00 0.71 0.00 0.00 56.30 57.13 2jfs h ASN 73 Cb 0.09 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 2jfs h ASN 73 CO -0.03 0.17 -0.17 -0.07 -1.29 0.00 0.00 177.43 176.04 2jfs h LEU 74 N 0.35 0.74 0.14 0.34 3.38 -0.84 -1.80 115.31 117.62 2jfs h LEU 74 Ca 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2jfs h LEU 74 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jfs h LEU 74 CO -0.15 0.91 -0.07 -0.09 0.09 0.00 0.00 178.44 179.14 2jfs h ARG 75 N 0.66 -0.18 -0.79 1.13 9.65 -0.74 -0.79 114.38 123.33 2jfs h ARG 75 Ca 0.10 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2jfs h ARG 75 Cb 0.65 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.24 2jfs h ARG 75 CO 0.05 0.03 0.35 0.28 2.80 0.00 0.00 179.97 183.48 2jfs h VAL 76 N -0.37 1.25 -0.64 0.20 2.07 -1.26 -2.11 116.25 115.41 2jfs h VAL 76 Ca -0.02 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 2jfs h VAL 76 Cb 0.29 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2jfs h VAL 76 CO 0.03 0.32 0.05 0.15 0.02 0.00 0.00 177.57 178.13 2jfs h PHE 77 N 1.14 1.17 -0.29 1.57 3.57 -1.23 0.62 116.94 123.49 2jfs h PHE 77 Ca 0.27 -0.19 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2jfs h PHE 77 Cb 0.16 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2jfs h PHE 77 CO 0.02 1.01 -0.34 0.93 -2.23 0.00 0.00 178.31 177.70 2jfs h GLU 78 N 1.00 0.63 -0.15 1.11 5.08 -0.97 0.21 114.58 121.49 2jfs h GLU 78 Ca 0.19 -0.30 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2jfs h GLU 78 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2jfs h GLU 78 CO 0.02 0.89 -0.50 1.25 -1.00 0.00 0.00 179.01 179.67 2jfs h LEU 79 N 0.54 0.69 0.00 1.33 5.85 -1.17 -3.39 115.31 119.16 2jfs h LEU 79 Ca 0.06 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2jfs h LEU 79 Cb 0.84 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2jfs h LEU 79 CO 0.07 1.18 -0.84 0.18 -0.34 0.00 0.00 178.44 178.69 2jfs n LEU 80 N -4.20 0.37 0.30 2.25 4.77 0.19 -4.72 117.00 115.96 2jfs n LEU 80 Ca -0.07 -0.35 0.18 0.00 -0.03 0.00 0.00 56.01 55.74 2jfs n LEU 80 Cb 0.59 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.62 2jfs n LEU 80 CO 0.47 0.09 1.08 1.23 -1.33 0.00 0.00 177.39 178.93 2jfs h GLY 81 N 2.49 0.00 -1.81 -0.72 0.00 -0.74 -2.02 103.07 100.27 2jfs h GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jfs h GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2jfs n ASP 82 N -3.30 2.87 -4.77 0.19 8.00 -1.26 -4.97 116.55 113.31 2jfs n ASP 82 Ca -0.02 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.25 2jfs n ASP 82 Cb 0.17 -0.17 0.05 0.00 -0.02 0.00 0.00 41.12 41.16 2jfs n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jfs s GLU 83 N -1.66 2.76 0.48 -1.24 0.41 -0.76 -4.94 118.70 113.74 2jfs s GLU 83 Ca 0.36 1.35 0.15 0.00 -0.41 0.00 0.00 54.97 56.42 2jfs s GLU 83 Cb 0.21 -1.95 1.16 0.00 -1.78 0.00 0.00 34.13 31.78 2jfs s GLU 83 CO 0.30 -1.28 2.07 -1.35 -0.49 0.00 0.00 175.26 174.51 2jfs h PRO 84 N -0.10 0.19 -5.58 0.39 0.11 -1.93 -3.43 132.00 121.65 2jfs h PRO 84 Ca -0.46 -0.01 -0.48 0.00 0.11 0.00 0.00 66.00 65.15 2jfs h PRO 84 Cb 1.24 -0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.17 2jfs h PRO 84 CO 0.54 0.12 -0.70 0.95 -0.21 0.00 0.00 178.00 178.70 2jfs s THR 85 N -5.21 1.74 -0.14 -1.15 -4.23 -1.26 -5.13 115.64 100.27 2jfs s THR 85 Ca -0.06 -2.18 -0.25 0.00 -1.18 0.00 0.00 61.69 58.02 2jfs s THR 85 Cb 0.18 -2.28 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 2jfs s THR 85 CO 0.71 -0.42 0.82 -0.69 -0.54 0.00 0.00 174.62 174.50 2jfs s VAL 86 N -2.96 4.91 0.11 2.29 1.01 -1.26 -4.95 120.40 119.54 2jfs s VAL 86 Ca 0.27 1.64 0.09 0.00 0.00 0.00 0.00 61.98 63.98 2jfs s VAL 86 Cb 0.01 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2jfs s VAL 86 CO 0.10 0.08 -0.24 -0.44 0.00 0.00 0.00 175.10 174.60 2jfs s SER 87 N 1.08 2.92 0.00 3.32 0.01 -1.26 -4.39 113.70 115.38 2jfs s SER 87 Ca 0.39 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2jfs s SER 87 Cb -0.17 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2jfs s SER 87 CO 0.15 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2jfs n GLY 88 N 1.12 2.33 3.41 3.44 0.00 -0.77 -4.65 105.19 110.06 2jfs n GLY 88 Ca -0.18 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 2jfs n GLY 88 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jfs s THR 89 N -2.71 0.02 0.81 2.61 -1.32 -0.54 -0.96 115.64 113.56 2jfs s THR 89 Ca 0.00 -0.19 -0.12 0.00 -1.21 0.00 0.00 61.69 60.18 2jfs s THR 89 Cb 0.00 -0.98 0.10 0.00 -1.51 0.00 0.00 72.50 70.10 2jfs s THR 89 CO 0.00 -0.10 1.17 0.42 -2.21 0.00 0.00 174.62 173.90 2jfs s THR 90 N -2.49 2.05 -0.22 5.08 -4.23 -0.45 -0.60 115.64 114.77 2jfs s THR 90 Ca -0.05 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.31 2jfs s THR 90 Cb -0.01 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.93 2jfs s THR 90 CO -0.02 0.00 0.50 -0.22 -0.54 0.00 0.00 174.62 174.34 2jfs s LEU 91 N -5.57 -0.62 -0.10 4.79 2.96 -0.44 -3.34 118.68 116.35 2jfs s LEU 91 Ca 0.64 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.71 2jfs s LEU 91 Cb -0.10 1.69 0.02 0.00 0.50 0.00 0.00 46.19 48.31 2jfs s LEU 91 CO 0.49 -0.22 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.30 2jfs s THR 92 N 2.14 1.22 0.00 3.68 2.01 -0.29 -0.51 115.64 123.90 2jfs s THR 92 Ca -0.06 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.54 2jfs s THR 92 Cb -0.10 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 2jfs s THR 92 CO -0.15 0.39 -0.16 0.00 -0.69 0.00 0.00 174.62 174.01 2jfs s ALA 93 N 1.25 1.32 -0.07 7.40 0.00 0.13 -1.28 121.76 130.50 2jfs s ALA 93 Ca -0.03 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2jfs s ALA 93 Cb -0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 2jfs s ALA 93 CO -0.04 0.31 -0.21 0.14 0.00 0.00 0.00 175.76 175.95 2jfs s VAL 94 N -0.48 1.80 -0.23 0.00 -7.23 0.67 -1.08 120.40 113.84 2jfs s VAL 94 Ca 0.05 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 2jfs s VAL 94 Cb -0.07 -1.55 -0.00 0.00 0.56 0.00 0.00 36.38 35.33 2jfs s VAL 94 CO -0.00 0.50 -0.03 0.00 -0.31 0.00 0.00 175.10 175.26 2jfs s ALA 95 N 0.12 2.82 -1.30 1.32 0.00 -0.28 -1.08 121.76 123.37 2jfs s ALA 95 Ca -0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 2jfs s ALA 95 Cb -0.15 -1.75 0.15 0.00 0.00 0.00 0.00 23.12 21.37 2jfs s ALA 95 CO 0.05 -0.54 1.90 0.28 0.00 0.00 0.00 175.76 177.45 2jfs n VAL 96 N 4.79 4.21 -2.08 0.00 0.31 0.62 -1.27 118.33 124.91 2jfs n VAL 96 Ca -0.18 -4.21 -0.37 0.00 -0.01 0.00 0.00 64.34 59.57 2jfs n VAL 96 Cb 0.50 -2.40 0.01 0.00 -0.91 0.00 0.00 33.84 31.04 2jfs n VAL 96 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2jfs s PHE 97 N 0.88 2.60 0.92 3.52 2.99 -1.26 -4.85 117.98 122.79 2jfs s PHE 97 Ca 0.41 1.49 -0.11 0.00 0.00 0.00 0.00 56.93 58.72 2jfs s PHE 97 Cb 0.10 -3.51 0.15 0.00 0.00 0.00 0.00 43.02 39.75 2jfs s PHE 97 CO -0.01 -2.03 1.10 -1.21 -0.00 0.00 0.00 175.22 173.07 2jfs s GLU 98 N -2.92 0.99 0.26 0.44 2.02 -1.26 -3.48 118.70 114.76 2jfs s GLU 98 Ca 0.69 1.21 -0.03 0.00 0.02 0.00 0.00 54.97 56.86 2jfs s GLU 98 Cb -0.32 -1.75 0.37 0.00 0.10 0.00 0.00 34.13 32.54 2jfs s GLU 98 CO 0.37 -2.54 1.90 -1.35 0.02 0.00 0.00 175.26 173.66 2jfs h PRO 99 N -1.79 1.19 0.00 0.39 0.11 -1.92 -0.45 132.00 129.53 2jfs h PRO 99 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2jfs h PRO 99 Cb 1.27 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2jfs h PRO 99 CO 0.48 0.79 0.04 0.78 -0.21 0.00 0.00 178.00 179.88 2jfs h GLY 100 N 1.23 0.00 -1.12 -0.55 0.00 -2.00 0.84 103.07 101.46 2jfs h GLY 100 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2jfs h GLY 100 CO -0.14 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.34 2jfs n GLN 101 N -2.28 2.86 0.00 4.80 6.02 -0.26 -4.97 117.38 123.55 2jfs n GLN 101 Ca -0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 2jfs n GLN 101 Cb 0.08 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.10 2jfs n GLN 101 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jfs n GLY 102 N 0.40 0.57 0.17 1.08 0.00 0.29 -4.68 105.19 103.02 2jfs n GLY 102 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 2jfs n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfs n GLY 103 N -1.76 -1.54 3.64 -0.02 0.00 -0.74 -4.92 105.19 99.86 2jfs n GLY 103 Ca 0.00 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 44.09 2jfs n GLY 103 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jfs n PRO 104 N -1.77 1.76 -4.41 1.61 -0.02 -1.23 -4.14 135.00 126.81 2jfs n PRO 104 Ca -0.00 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 61.90 2jfs n PRO 104 Cb 0.08 -2.19 -0.16 0.00 -0.02 0.00 0.00 33.50 31.22 2jfs n PRO 104 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jfs s LEU 105 N 0.07 1.78 -0.09 2.45 2.96 -0.39 -1.37 118.68 124.08 2jfs s LEU 105 Ca 0.65 -0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.36 2jfs s LEU 105 Cb -0.68 -0.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 2jfs s LEU 105 CO 0.54 0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.89 2jfs s VAL 106 N 0.21 3.79 -0.11 1.68 1.01 -0.01 -1.13 120.40 125.84 2jfs s VAL 106 Ca -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2jfs s VAL 106 Cb -0.09 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2jfs s VAL 106 CO 0.01 0.57 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 2jfs s VAL 107 N -0.52 1.40 0.01 2.92 1.01 -0.24 -1.23 120.40 123.75 2jfs s VAL 107 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2jfs s VAL 107 Cb -0.12 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2jfs s VAL 107 CO 0.02 0.42 -0.01 0.54 0.00 0.00 0.00 175.10 176.07 2jfs s ASN 108 N 1.16 0.12 -0.05 3.32 4.22 -0.05 -0.70 114.94 122.96 2jfs s ASN 108 Ca -0.03 -0.17 -0.02 0.00 -2.14 0.00 0.00 52.86 50.50 2jfs s ASN 108 Cb -0.14 0.03 0.03 0.00 1.28 0.00 0.00 41.25 42.45 2jfs s ASN 108 CO -0.04 -0.09 0.08 -0.63 -2.04 0.00 0.00 177.10 174.38 2jfs s ILE 109 N -0.47 -0.14 0.00 0.54 1.01 0.34 -1.09 121.20 121.39 2jfs s ILE 109 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2jfs s ILE 109 Cb -0.03 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.26 2jfs s ILE 109 CO -0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 2jfs n GLY 110 N 5.30 0.45 1.58 6.18 0.00 -1.25 -1.33 105.19 116.13 2jfs n GLY 110 Ca -0.03 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 2jfs n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jfs n ASP 111 N 0.00 2.16 -4.31 1.61 5.75 -1.26 -0.93 116.55 119.56 2jfs n ASP 111 Ca 0.00 -2.97 -0.43 0.00 -0.01 0.00 0.00 54.79 51.37 2jfs n ASP 111 Cb 0.00 -0.42 -0.08 0.00 -1.03 0.00 0.00 41.12 39.60 2jfs n ASP 111 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jfs s SER 112 N -3.07 5.96 0.52 -1.12 0.01 -1.26 -4.12 113.70 110.61 2jfs s SER 112 Ca 0.37 -1.58 -0.18 0.00 1.31 0.00 0.00 55.95 55.88 2jfs s SER 112 Cb 0.37 -2.11 -0.07 0.00 0.21 0.00 0.00 66.02 64.42 2jfs s SER 112 CO -0.07 -0.68 1.00 -2.84 0.41 0.00 0.00 173.24 171.07 2jfs s PRO 113 N 1.53 3.82 -0.15 12.44 0.02 -0.94 -4.67 135.00 147.04 2jfs s PRO 113 Ca 0.04 1.10 -0.06 0.00 0.02 0.00 0.00 61.00 62.10 2jfs s PRO 113 Cb -0.26 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.11 2jfs s PRO 113 CO 0.03 -0.38 0.04 -1.17 -0.33 0.00 0.00 177.00 175.19 2jfs s LEU 114 N -3.95 3.74 0.08 -5.54 2.96 -1.26 -1.24 118.68 113.47 2jfs s LEU 114 Ca 0.62 0.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.72 2jfs s LEU 114 Cb -0.12 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2jfs s LEU 114 CO 0.28 0.24 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.99 2jfs s TYR 115 N -0.01 2.11 -0.14 5.38 2.02 0.50 -0.60 117.35 126.60 2jfs s TYR 115 Ca 0.05 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.30 2jfs s TYR 115 Cb -0.12 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2jfs s TYR 115 CO 0.01 0.20 0.04 0.50 -1.57 0.00 0.00 175.55 174.73 2jfs s ARG 116 N -1.60 3.60 -0.23 -0.62 3.52 0.04 -0.91 118.95 122.75 2jfs s ARG 116 Ca 0.10 -0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.32 2jfs s ARG 116 Cb -0.10 -3.05 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 2jfs s ARG 116 CO 0.04 0.44 -0.07 0.42 -0.81 0.00 0.00 175.30 175.32 2jfs s ILE 117 N -0.13 2.99 -0.04 4.11 1.01 0.73 -0.66 121.20 129.21 2jfs s ILE 117 Ca 0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2jfs s ILE 117 Cb -0.12 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.96 2jfs s ILE 117 CO 0.02 0.33 0.06 -0.60 0.00 0.00 0.00 174.94 174.75 2jfs s ARG 118 N 1.39 -0.04 -1.49 2.79 3.52 -0.61 -1.63 118.95 122.87 2jfs s ARG 118 Ca 0.03 0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 55.82 2jfs s ARG 118 Cb -0.15 -0.36 0.08 0.00 -1.56 0.00 0.00 34.95 32.96 2jfs s ARG 118 CO -0.05 -0.25 0.82 -0.25 -0.81 0.00 0.00 175.30 174.76 2jfs n ASP 119 N 4.75 -4.55 0.00 -2.12 8.00 -1.26 -1.23 116.55 120.15 2jfs n ASP 119 Ca -0.15 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.68 2jfs n ASP 119 Cb 0.50 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 2jfs n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jfs n GLY 120 N -1.52 1.03 3.49 0.44 0.00 -1.26 -5.03 105.19 102.34 2jfs n GLY 120 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2jfs n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jfs s HIS 121 N -3.50 2.98 -0.21 1.61 3.76 -0.36 -5.02 115.29 114.54 2jfs s HIS 121 Ca 0.00 -0.30 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 2jfs s HIS 121 Cb 0.00 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.75 2jfs s HIS 121 CO 0.00 -0.00 0.07 1.41 -0.85 0.00 0.00 174.74 175.37 2jfs s MET 122 N 0.17 3.86 -0.09 1.40 1.75 -1.26 -1.57 119.30 123.56 2jfs s MET 122 Ca -0.03 -0.39 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 2jfs s MET 122 Cb -0.14 -3.28 0.01 0.00 2.84 0.00 0.00 34.83 34.27 2jfs s MET 122 CO 0.03 0.08 -0.14 -2.00 -0.65 0.00 0.00 175.02 172.34 2jfs s GLU 123 N 0.89 2.03 0.02 4.11 2.12 0.17 -4.98 118.70 123.06 2jfs s GLU 123 Ca 0.04 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.55 2jfs s GLU 123 Cb -0.14 -1.68 -0.05 0.00 0.26 0.00 0.00 34.13 32.52 2jfs s GLU 123 CO 0.03 0.00 1.23 -1.14 -0.54 0.00 0.00 175.26 174.84 2jfs s GLN 124 N 0.78 4.39 -0.09 4.30 0.74 -1.26 -0.78 119.66 127.73 2jfs s GLN 124 Ca -0.12 1.77 0.18 0.00 0.05 0.00 0.00 55.36 57.24 2jfs s GLN 124 Cb -0.16 -3.44 -0.24 0.00 1.10 0.00 0.00 33.01 30.28 2jfs s GLN 124 CO 0.02 -0.36 0.38 1.28 -0.55 0.00 0.00 175.29 176.06 2jfs n LEU 125 N 4.50 0.30 -4.91 3.68 4.77 0.23 -4.95 117.00 120.63 2jfs n LEU 125 Ca 0.10 0.14 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 2jfs n LEU 125 Cb 0.46 0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.80 2jfs n LEU 125 CO 0.56 0.32 0.16 0.42 -1.33 0.00 0.00 177.39 177.52 2jfs s THR 126 N -2.78 5.07 0.19 -5.08 -4.23 -1.23 -5.03 115.64 102.55 2jfs s THR 126 Ca -0.07 -0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.18 2jfs s THR 126 Cb 0.08 -3.74 -0.08 0.00 1.34 0.00 0.00 72.50 70.11 2jfs s THR 126 CO 0.84 -0.29 0.69 -1.81 -0.54 0.00 0.00 174.62 173.51 2jfs s ASP 127 N -3.19 7.07 -0.17 3.99 1.01 -1.26 -4.90 116.67 119.22 2jfs s ASP 127 Ca 0.42 1.39 -0.20 0.00 0.71 0.00 0.00 52.55 54.87 2jfs s ASP 127 Cb -0.11 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2jfs s ASP 127 CO 0.30 0.08 0.60 -1.81 0.21 0.00 0.00 175.17 174.55 2jfs s ASP 128 N -1.55 6.70 -1.23 0.27 1.01 -1.26 -4.85 116.67 115.75 2jfs s ASP 128 Ca 0.40 0.85 -0.09 0.00 0.71 0.00 0.00 52.55 54.42 2jfs s ASP 128 Cb -0.17 -2.34 0.20 0.00 1.01 0.00 0.00 42.92 41.62 2jfs s ASP 128 CO 0.21 -0.20 1.74 1.41 0.21 0.00 0.00 175.17 178.54 2jfs n HIS 129 N 4.64 3.11 -4.32 4.23 8.25 -0.11 -3.55 115.22 127.48 2jfs n HIS 129 Ca -0.03 -2.85 -0.16 0.00 -0.26 0.00 0.00 57.72 54.42 2jfs n HIS 129 Cb 0.50 -1.84 -0.10 0.00 1.12 0.00 0.00 29.99 29.67 2jfs n HIS 129 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2jfs s SER 130 N 0.62 1.34 0.13 0.41 1.04 -1.26 -0.66 113.70 115.32 2jfs s SER 130 Ca 0.38 -1.34 -0.19 0.00 0.48 0.00 0.00 55.95 55.28 2jfs s SER 130 Cb 0.07 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2jfs s SER 130 CO 0.02 -0.68 1.75 0.58 0.98 0.00 0.00 173.24 175.89 2jfs h VAL 131 N 2.42 0.96 -0.79 5.02 2.07 -1.17 0.15 116.25 124.90 2jfs h VAL 131 Ca -0.38 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2jfs h VAL 131 Cb 1.24 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 2jfs h VAL 131 CO 0.62 0.03 0.34 0.00 0.02 0.00 0.00 177.57 178.58 2jfs h ALA 132 N 1.13 1.03 -0.58 1.67 0.00 -1.81 -2.49 119.26 118.20 2jfs h ALA 132 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jfs h ALA 132 Cb 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2jfs h ALA 132 CO -0.09 0.64 0.35 0.78 0.00 0.00 0.00 179.25 180.93 2jfs h GLY 133 N 1.14 0.83 1.38 0.00 0.00 -1.47 -1.19 103.07 103.77 2jfs h GLY 133 Ca 0.27 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 2jfs h GLY 133 CO -0.03 0.33 -0.48 0.83 0.00 0.00 0.00 176.54 177.19 2jfs h GLU 134 N 0.79 0.66 -0.76 4.80 4.39 -0.38 -0.12 114.58 123.96 2jfs h GLU 134 Ca 0.21 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2jfs h GLU 134 Cb -0.03 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 2jfs h GLU 134 CO -0.04 1.00 0.37 -0.07 -1.16 0.00 0.00 179.01 179.11 2jfs h LEU 135 N 0.52 0.97 -0.13 1.33 3.38 -0.98 -0.13 115.31 120.27 2jfs h LEU 135 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jfs h LEU 135 Cb 1.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2jfs h LEU 135 CO 0.10 0.81 0.04 0.58 0.09 0.00 0.00 178.44 180.06 2jfs h VAL 136 N 1.07 1.17 -0.94 1.22 2.07 -0.99 -0.56 116.25 119.29 2jfs h VAL 136 Ca 0.26 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2jfs h VAL 136 Cb 0.09 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2jfs h VAL 136 CO -0.04 0.16 0.61 -0.09 0.02 0.00 0.00 177.57 178.23 2jfs h ARG 137 N 0.04 1.02 0.00 1.57 9.65 -0.63 -0.65 114.38 125.38 2jfs h ARG 137 Ca 0.04 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2jfs h ARG 137 Cb 0.20 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 2jfs h ARG 137 CO -0.00 0.67 0.00 -1.33 2.80 0.00 0.00 179.97 182.11 2jfs n MET 138 N -4.50 0.02 -0.77 0.20 2.81 -0.09 -4.89 117.12 109.89 2jfs n MET 138 Ca 0.15 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2jfs n MET 138 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2jfs n MET 138 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jfs n GLY 139 N 1.35 0.57 0.11 3.03 0.00 -0.25 -4.95 105.19 105.05 2jfs n GLY 139 Ca 0.07 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 2jfs n GLY 139 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jfs h GLU 140 N 0.79 0.29 -4.27 1.61 4.39 -1.31 -3.46 114.58 112.62 2jfs h GLU 140 Ca 0.00 -0.48 -0.18 0.00 0.34 0.00 0.00 59.36 59.04 2jfs h GLU 140 Cb 0.00 0.18 -0.18 0.00 -0.10 0.00 0.00 28.75 28.64 2jfs h GLU 140 CO 0.00 1.22 -0.70 0.96 -1.16 0.00 0.00 179.01 179.33 2jfs s ILE 141 N -2.70 0.31 0.69 3.13 -4.36 -1.17 -5.02 121.20 112.08 2jfs s ILE 141 Ca -0.04 -1.35 -0.10 0.00 -0.26 0.00 0.00 60.65 58.90 2jfs s ILE 141 Cb 0.07 -0.89 0.02 0.00 1.25 0.00 0.00 42.46 42.91 2jfs s ILE 141 CO 0.88 -0.67 1.05 0.42 0.24 0.00 0.00 174.94 176.87 2jfs s THR 142 N -2.45 3.27 0.24 8.37 -4.23 -1.26 -4.14 115.64 115.44 2jfs s THR 142 Ca -0.04 0.26 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 2jfs s THR 142 Cb -0.03 -3.38 0.22 0.00 1.34 0.00 0.00 72.50 70.65 2jfs s THR 142 CO -0.04 -0.48 1.71 0.03 -0.54 0.00 0.00 174.62 175.31 2jfs h ARG 143 N -0.58 0.37 0.05 3.99 2.47 -1.98 -0.36 114.38 118.34 2jfs h ARG 143 Ca -0.45 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.24 2jfs h ARG 143 Cb 1.27 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2jfs h ARG 143 CO 0.63 0.24 -0.03 1.25 0.56 0.00 0.00 179.97 182.63 2jfs h HIS 144 N 0.38 -0.07 -0.02 3.04 2.76 -2.01 -2.73 115.15 116.50 2jfs h HIS 144 Ca 0.41 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.57 2jfs h HIS 144 Cb 0.65 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.63 2jfs h HIS 144 CO -0.20 0.02 -0.03 0.93 -1.30 0.00 0.00 177.93 177.36 2jfs h GLU 145 N -0.14 0.03 0.00 5.26 5.08 -1.79 -2.57 114.58 120.45 2jfs h GLU 145 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jfs h GLU 145 Cb 0.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2jfs h GLU 145 CO 0.01 0.06 -0.01 0.00 -1.00 0.00 0.00 179.01 178.07 2jfs n ALA 146 N -2.53 2.36 -0.22 3.43 0.00 -0.20 -4.36 120.51 118.99 2jfs n ALA 146 Ca -0.03 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.34 2jfs n ALA 146 Cb 0.12 -1.46 0.13 0.00 0.00 0.00 0.00 19.45 18.24 2jfs n ALA 146 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2jfs h ARG 147 N 0.00 0.27 -0.30 0.00 2.43 -1.18 -2.03 114.38 113.57 2jfs h ARG 147 Ca 0.00 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 2jfs h ARG 147 Cb 0.51 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.91 2jfs h ARG 147 CO 0.00 0.18 -0.13 0.91 -1.51 0.00 0.00 179.97 179.42 2jfs n TRP 148 N -5.12 0.94 -1.84 2.20 7.02 -1.26 -5.01 117.44 114.36 2jfs n TRP 148 Ca 0.11 -1.56 -0.42 0.00 -1.02 0.00 0.00 57.50 54.61 2jfs n TRP 148 Cb 0.36 -0.45 -0.02 0.00 -2.42 0.00 0.00 31.31 28.78 2jfs n TRP 148 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2jfs s HIS 149 N -3.23 2.90 0.14 -5.99 2.46 -0.77 -4.86 115.29 105.94 2jfs s HIS 149 Ca 0.44 0.70 0.33 0.00 0.47 0.00 0.00 55.06 57.00 2jfs s HIS 149 Cb 0.40 -4.01 1.64 0.00 -0.13 0.00 0.00 32.58 30.48 2jfs s HIS 149 CO -0.01 -3.54 2.01 -1.00 -2.47 0.00 0.00 174.74 169.73 2jfs h PRO 150 N 5.73 0.00 -0.45 2.88 0.13 -1.95 -1.33 132.00 137.00 2jfs h PRO 150 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2jfs h PRO 150 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2jfs h PRO 150 CO 0.85 0.00 0.07 1.04 -0.23 0.00 0.00 178.00 179.73 2jfs n GLN 151 N -2.77 3.28 -0.21 0.86 6.02 -1.26 -4.65 117.38 118.65 2jfs n GLN 151 Ca -0.01 -3.01 0.16 0.00 -0.01 0.00 0.00 57.00 54.13 2jfs n GLN 151 Cb 0.16 -2.01 0.48 0.00 1.02 0.00 0.00 30.24 29.88 2jfs n GLN 151 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2jfs h ARG 152 N 2.25 0.46 -0.04 -1.09 2.43 -1.58 -2.24 114.38 114.57 2jfs h ARG 152 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2jfs h ARG 152 Cb 1.81 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 2jfs h ARG 152 CO 0.43 0.31 0.00 0.72 -1.51 0.00 0.00 179.97 179.92 2jfs n HIS 153 N -4.51 0.02 -2.92 2.20 8.25 -1.26 -4.59 115.22 112.41 2jfs n HIS 153 Ca 0.16 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.19 2jfs n HIS 153 Cb 0.56 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.62 2jfs n HIS 153 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jfs s LEU 154 N -1.98 4.15 0.47 2.41 1.43 -0.84 -5.01 118.68 119.31 2jfs s LEU 154 Ca 0.31 0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 53.25 2jfs s LEU 154 Cb 0.20 -3.05 -0.07 0.00 0.03 0.00 0.00 46.19 43.30 2jfs s LEU 154 CO 0.31 -0.92 1.15 -0.76 0.23 0.00 0.00 176.35 176.36 2jfs s LEU 155 N 3.39 3.98 0.00 1.79 1.43 -1.26 -1.02 118.68 126.99 2jfs s LEU 155 Ca 0.32 2.27 0.11 0.00 -1.03 0.00 0.00 54.13 55.80 2jfs s LEU 155 Cb -0.12 -4.30 -0.12 0.00 0.03 0.00 0.00 46.19 41.68 2jfs s LEU 155 CO 0.22 -0.94 0.49 0.35 0.23 0.00 0.00 176.35 176.71 2jfs n THR 156 N -0.60 0.00 -3.83 5.49 -2.24 0.16 -4.81 114.28 108.45 2jfs n THR 156 Ca 0.08 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2jfs n THR 156 Cb 0.49 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 2jfs n THR 156 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jfs s ARG 157 N -2.08 0.36 -0.01 -0.78 0.52 -1.24 -5.01 118.95 110.71 2jfs s ARG 157 Ca 0.04 -0.05 -0.25 0.00 -0.52 0.00 0.00 55.73 54.96 2jfs s ARG 157 Cb 0.09 0.16 0.05 0.00 0.52 0.00 0.00 34.95 35.77 2jfs s ARG 157 CO 0.47 -0.07 0.55 0.00 0.02 0.00 0.00 175.30 176.27 2jfs s ALA 158 N -0.62 -1.43 0.01 2.13 0.00 -1.26 -3.78 121.76 116.82 2jfs s ALA 158 Ca -0.07 0.88 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 2jfs s ALA 158 Cb -0.04 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.16 2jfs s ALA 158 CO 0.01 -0.39 0.43 -1.17 0.00 0.00 0.00 175.76 174.64 2jfs s LEU 159 N -1.48 4.48 0.00 0.00 0.20 0.23 -4.41 118.68 117.71 2jfs s LEU 159 Ca -0.10 1.00 0.00 0.00 0.69 0.00 0.00 54.13 55.73 2jfs s LEU 159 Cb -0.01 -2.63 0.00 0.00 -0.43 0.00 0.00 46.19 43.12 2jfs s LEU 159 CO 0.05 0.32 0.00 0.61 -0.29 0.00 0.00 176.35 177.04 2jfs n GLY 160 N 1.81 0.75 0.05 7.98 0.00 -1.26 -1.46 105.19 113.05 2jfs n GLY 160 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 2jfs n GLY 160 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jfs n ILE 161 N -2.40 0.00 -3.84 -0.61 -5.35 -1.26 -3.43 119.36 102.46 2jfs n ILE 161 Ca 0.00 -0.27 -0.08 0.00 -0.27 0.00 0.00 62.75 62.13 2jfs n ILE 161 Cb 0.00 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 38.90 2jfs n ILE 161 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jfs s GLY 162 N -1.92 -0.03 0.47 3.28 0.00 -1.26 -5.04 107.32 102.82 2jfs s GLY 162 Ca 0.05 -0.34 0.30 0.00 0.00 0.00 0.00 44.72 44.73 2jfs s GLY 162 CO 0.41 -0.17 1.87 -0.56 0.00 0.00 0.00 173.10 174.66 2jfs h PRO 163 N 2.05 0.00 -5.04 2.90 0.13 -1.96 -3.43 132.00 126.66 2jfs h PRO 163 Ca -0.22 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.25 2jfs h PRO 163 Cb 1.26 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 2jfs h PRO 163 CO 0.27 0.00 -0.73 -1.58 -0.23 0.00 0.00 178.00 175.73 2jfs s HIS 164 N -3.51 2.94 -0.01 1.56 5.65 -1.26 -4.92 115.29 115.73 2jfs s HIS 164 Ca 0.03 -0.91 0.02 0.00 0.25 0.00 0.00 55.06 54.44 2jfs s HIS 164 Cb 0.09 -2.06 0.00 0.00 -1.18 0.00 0.00 32.58 29.42 2jfs s HIS 164 CO 0.53 -0.50 -0.06 0.96 -0.65 0.00 0.00 174.74 175.02 2jfs s ILE 165 N 1.31 0.49 -0.47 0.89 -4.36 -1.26 -5.02 121.20 112.78 2jfs s ILE 165 Ca 0.04 -0.22 0.03 0.00 -0.26 0.00 0.00 60.65 60.24 2jfs s ILE 165 Cb -0.14 -0.44 0.12 0.00 1.25 0.00 0.00 42.46 43.25 2jfs s ILE 165 CO -0.03 0.16 0.21 -0.83 0.24 0.00 0.00 174.94 174.69 2jfs s GLY 166 N 0.14 2.28 0.71 6.27 0.00 -1.26 -5.04 107.32 110.42 2jfs s GLY 166 Ca -0.01 -3.02 -0.11 0.00 0.00 0.00 0.00 44.72 41.57 2jfs s GLY 166 CO -0.00 1.00 1.07 2.56 0.00 0.00 0.00 173.10 177.73 2jfs s PRO 167 N 0.14 2.71 0.22 2.90 0.04 -1.26 -5.00 135.00 134.76 2jfs s PRO 167 Ca 0.15 1.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.98 2jfs s PRO 167 Cb -0.23 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 2jfs s PRO 167 CO -0.03 -1.28 0.87 -0.51 0.04 0.00 0.00 177.00 176.09 2jfs s ASP 168 N -3.54 7.48 -0.07 6.66 1.01 -0.25 -4.91 116.67 123.05 2jfs s ASP 168 Ca 0.60 1.79 -0.03 0.00 0.71 0.00 0.00 52.55 55.62 2jfs s ASP 168 Cb -0.15 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.26 2jfs s ASP 168 CO 0.54 0.14 0.09 -0.69 0.21 0.00 0.00 175.17 175.45 2jfs s VAL 169 N -1.25 -0.14 -0.04 -1.27 1.01 -1.26 -0.87 120.40 116.57 2jfs s VAL 169 Ca 0.41 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 2jfs s VAL 169 Cb -0.23 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 35.93 2jfs s VAL 169 CO 0.28 0.09 0.44 0.72 0.00 0.00 0.00 175.10 176.63 2jfs s PHE 170 N 2.19 -0.37 0.29 5.22 -0.12 -0.36 -5.01 117.98 119.82 2jfs s PHE 170 Ca 0.04 0.64 -0.29 0.00 -0.05 0.00 0.00 56.93 57.27 2jfs s PHE 170 Cb -0.13 0.20 -0.10 0.00 -0.63 0.00 0.00 43.02 42.37 2jfs s PHE 170 CO -0.05 -0.44 1.22 0.20 -0.05 0.00 0.00 175.22 176.10 2jfs s GLY 171 N -1.11 2.97 -0.18 1.99 0.00 -1.26 -0.83 107.32 108.89 2jfs s GLY 171 Ca -0.11 1.10 -0.19 0.00 0.00 0.00 0.00 44.72 45.52 2jfs s GLY 171 CO 0.06 1.77 0.53 -0.42 0.00 0.00 0.00 173.10 175.03 2jfs s ILE 172 N -1.00 5.11 -0.74 0.90 1.01 -0.47 -4.89 121.20 121.12 2jfs s ILE 172 Ca 0.48 0.98 -0.26 0.00 0.00 0.00 0.00 60.65 61.85 2jfs s ILE 172 Cb -0.36 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2jfs s ILE 172 CO 0.46 0.20 1.63 -0.62 0.00 0.00 0.00 174.94 176.61 2jfs s ASP 173 N 1.06 5.69 0.18 3.58 2.15 -1.26 -4.70 116.67 123.37 2jfs s ASP 173 Ca 0.25 -0.27 -0.23 0.00 0.43 0.00 0.00 52.55 52.74 2jfs s ASP 173 Cb -0.15 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 39.98 2jfs s ASP 173 CO 0.10 -2.15 0.63 0.00 -0.17 0.00 0.00 175.17 173.58 2jfs n GLY 175 N -0.39 1.61 3.65 0.00 0.00 -1.26 -4.79 105.19 104.02 2jfs n GLY 175 Ca -0.14 -1.09 -0.48 0.00 0.00 0.00 0.00 46.02 44.30 2jfs n GLY 175 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jfs n PRO 176 N -0.19 1.89 0.00 1.61 -0.02 -1.26 -1.96 135.00 135.06 2jfs n PRO 176 Ca -0.03 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2jfs n PRO 176 Cb 0.21 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2jfs n PRO 176 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jfs n GLY 177 N 3.32 2.21 3.79 -1.23 0.00 -0.25 -4.94 105.19 108.08 2jfs n GLY 177 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2jfs n GLY 177 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jfs s ASP 178 N -1.49 5.49 -0.02 1.61 1.01 -0.83 -4.85 116.67 117.59 2jfs s ASP 178 Ca 0.00 1.89 0.07 0.00 0.71 0.00 0.00 52.55 55.22 2jfs s ASP 178 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 2jfs s ASP 178 CO 0.00 -1.37 -0.23 -0.60 0.21 0.00 0.00 175.17 173.18 2jfs s ARG 179 N -4.10 1.87 0.03 8.23 3.52 -0.65 -1.38 118.95 126.47 2jfs s ARG 179 Ca 0.65 -0.84 0.04 0.00 -0.13 0.00 0.00 55.73 55.45 2jfs s ARG 179 Cb -0.18 -1.82 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 2jfs s ARG 179 CO 0.39 0.50 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.80 2jfs s LEU 180 N -0.57 3.17 -0.11 -0.88 1.43 0.48 -0.19 118.68 122.02 2jfs s LEU 180 Ca 0.09 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2jfs s LEU 180 Cb -0.09 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.30 2jfs s LEU 180 CO -0.01 0.26 -0.10 -0.22 0.23 0.00 0.00 176.35 176.51 2jfs s LEU 181 N -1.62 1.36 -0.15 1.79 2.96 -0.09 -0.75 118.68 122.18 2jfs s LEU 181 Ca 0.18 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 2jfs s LEU 181 Cb -0.11 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.66 2jfs s LEU 181 CO 0.09 -0.07 0.05 -0.63 -1.32 0.00 0.00 176.35 174.47 2jfs s ILE 182 N 1.42 4.67 0.04 6.68 1.01 -0.15 -0.37 121.20 134.50 2jfs s ILE 182 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.57 2jfs s ILE 182 Cb -0.13 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 2jfs s ILE 182 CO -0.05 0.52 -0.06 -0.55 0.00 0.00 0.00 174.94 174.80 2jfs s SER 183 N -0.08 0.64 0.85 3.58 0.15 -0.37 -0.73 113.70 117.74 2jfs s SER 183 Ca 0.06 -0.64 -0.12 0.00 0.70 0.00 0.00 55.95 55.96 2jfs s SER 183 Cb -0.12 0.08 0.10 0.00 -1.71 0.00 0.00 66.02 64.37 2jfs s SER 183 CO 0.01 -0.31 1.11 -0.94 1.20 0.00 0.00 173.24 174.32 2jfs s SER 184 N -1.86 4.01 0.06 5.45 1.04 -0.25 -2.22 113.70 119.94 2jfs s SER 184 Ca -0.08 1.17 0.13 0.00 0.48 0.00 0.00 55.95 57.65 2jfs s SER 184 Cb -0.06 -1.83 0.57 0.00 0.10 0.00 0.00 66.02 64.79 2jfs s SER 184 CO -0.02 -2.26 1.41 -0.90 0.98 0.00 0.00 173.24 172.45 2jfs n ASP 185 N -3.60 0.15 0.24 7.02 5.75 -1.26 -2.84 116.55 122.01 2jfs n ASP 185 Ca 0.07 0.55 0.07 0.00 -0.01 0.00 0.00 54.79 55.46 2jfs n ASP 185 Cb 0.57 -0.57 0.58 0.00 -1.03 0.00 0.00 41.12 40.67 2jfs n ASP 185 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2jfs h GLY 186 N 1.70 0.00 1.11 6.12 0.00 -1.92 -2.53 103.07 107.55 2jfs h GLY 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jfs h GLY 186 CO 0.00 0.00 0.58 -2.00 0.00 0.00 0.00 176.54 175.12 2jfs h LEU 187 N 0.00 1.04 -2.57 3.11 5.85 -1.77 -2.83 115.31 118.14 2jfs h LEU 187 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2jfs h LEU 187 Cb 0.17 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2jfs h LEU 187 CO 0.01 0.77 0.00 0.49 -0.34 0.00 0.00 178.44 179.37 2jfs n PHE 188 N -4.39 1.06 -0.29 1.25 3.72 -0.96 -4.45 117.46 113.41 2jfs n PHE 188 Ca 0.10 -0.48 0.02 0.00 -0.05 0.00 0.00 57.45 57.04 2jfs n PHE 188 Cb 0.03 -0.09 0.15 0.00 -0.94 0.00 0.00 39.48 38.63 2jfs n PHE 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jfs h ALA 189 N 4.12 1.13 0.00 4.37 0.00 -1.41 -3.40 119.26 124.07 2jfs h ALA 189 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jfs h ALA 189 Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jfs h ALA 189 CO 0.08 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2jfs n ALA 190 N -2.37 0.00 -1.78 0.00 0.00 -1.26 -5.11 120.51 110.00 2jfs n ALA 190 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 2jfs n ALA 190 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.68 2jfs n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jfs s ALA 191 N 0.00 2.77 0.06 0.00 0.00 -1.26 -4.97 121.76 118.36 2jfs s ALA 191 Ca 0.00 0.82 -0.33 0.00 0.00 0.00 0.00 51.96 52.45 2jfs s ALA 191 Cb 0.00 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 2jfs s ALA 191 CO 0.00 -0.70 1.77 -3.47 0.00 0.00 0.00 175.76 173.36 2jfs n ASP 192 N -1.10 3.51 -0.25 0.00 -0.08 -1.26 -4.90 116.55 112.47 2jfs n ASP 192 Ca 0.11 1.01 0.07 0.00 -1.51 0.00 0.00 54.79 54.47 2jfs n ASP 192 Cb 0.51 -1.44 0.31 0.00 2.34 0.00 0.00 41.12 42.84 2jfs n ASP 192 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2jfs h GLU 193 N 7.96 0.82 -0.76 -0.67 4.81 -2.00 -0.55 114.58 124.19 2jfs h GLU 193 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2jfs h GLU 193 Cb 1.25 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2jfs h GLU 193 CO 0.93 0.55 0.48 0.00 -0.73 0.00 0.00 179.01 180.23 2jfs h ALA 194 N 1.57 1.41 -0.14 2.92 0.00 -2.00 -0.51 119.26 122.52 2jfs h ALA 194 Ca 0.38 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 2jfs h ALA 194 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jfs h ALA 194 CO -0.15 0.53 -0.59 -0.07 0.00 0.00 0.00 179.25 178.96 2jfs h LEU 195 N 1.04 0.50 -0.28 0.00 3.38 -1.51 -1.78 115.31 116.67 2jfs h LEU 195 Ca 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jfs h LEU 195 Cb -0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2jfs h LEU 195 CO -0.06 0.98 0.15 0.40 0.09 0.00 0.00 178.44 180.00 2jfs h ILE 196 N 0.33 1.13 -0.69 1.22 2.04 -0.84 -2.14 117.51 118.57 2jfs h ILE 196 Ca -0.00 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2jfs h ILE 196 Cb 1.13 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2jfs h ILE 196 CO 0.10 0.13 0.23 0.58 0.00 0.00 0.00 178.15 179.19 2jfs h VAL 197 N 0.33 1.25 -0.35 1.67 2.07 -1.00 0.18 116.25 120.40 2jfs h VAL 197 Ca 0.10 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.80 2jfs h VAL 197 Cb 0.08 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2jfs h VAL 197 CO -0.01 0.33 0.16 -0.78 0.02 0.00 0.00 177.57 177.28 2jfs h ASP 198 N 1.00 0.21 -0.58 0.57 3.58 -1.27 -1.54 116.42 118.39 2jfs h ASP 198 Ca 0.22 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 2jfs h ASP 198 Cb 0.28 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 2jfs h ASP 198 CO -0.01 0.16 0.12 0.00 -2.88 0.00 0.00 179.24 176.63 2jfs h ALA 199 N 1.20 0.76 0.00 -0.78 0.00 -1.06 -2.95 119.26 116.44 2jfs h ALA 199 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jfs h ALA 199 Cb 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jfs h ALA 199 CO -0.12 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2jfs h ALA 200 N 1.02 1.00 -0.37 0.00 0.00 -0.14 -2.40 119.26 118.36 2jfs h ALA 200 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jfs h ALA 200 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jfs h ALA 200 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 2jfs n THR 201 N -2.79 0.52 -1.67 0.00 -2.24 -0.63 -4.97 114.28 102.51 2jfs n THR 201 Ca -0.00 -0.76 -0.49 0.00 -2.27 0.00 0.00 64.05 60.53 2jfs n THR 201 Cb 0.19 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 2jfs n THR 201 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jfs n SER 202 N 1.37 3.03 -0.32 3.42 7.64 -0.90 -4.86 113.62 123.00 2jfs n SER 202 Ca 0.18 1.04 0.06 0.00 1.01 0.00 0.00 58.87 61.16 2jfs n SER 202 Cb 0.57 -1.35 0.22 0.00 -1.01 0.00 0.00 64.21 62.64 2jfs n SER 202 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2jfs h PRO 203 N 7.26 0.79 -5.95 1.43 0.11 -1.93 -3.37 132.00 130.33 2jfs h PRO 203 Ca -0.47 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.00 2jfs h PRO 203 Cb 1.28 -0.18 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 2jfs h PRO 203 CO 0.91 0.52 0.57 0.34 -0.21 0.00 0.00 178.00 180.13 2jfs s ASP 204 N -5.57 6.81 0.53 -2.05 -1.08 -1.26 -4.92 116.67 109.13 2jfs s ASP 204 Ca -0.12 0.91 0.24 0.00 -0.52 0.00 0.00 52.55 53.06 2jfs s ASP 204 Cb 0.21 -2.46 1.38 0.00 -1.46 0.00 0.00 42.92 40.59 2jfs s ASP 204 CO 0.79 -0.67 2.02 -0.65 0.52 0.00 0.00 175.17 177.18 2jfs h PRO 205 N 7.95 0.00 -0.22 4.34 0.11 -1.95 -0.11 132.00 142.12 2jfs h PRO 205 Ca -0.22 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.81 2jfs h PRO 205 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2jfs h PRO 205 CO 0.93 0.00 -0.20 0.37 -0.21 0.00 0.00 178.00 178.89 2jfs h GLN 206 N 0.00 0.40 -0.11 1.05 5.75 -1.91 -1.82 115.11 118.46 2jfs h GLN 206 Ca 0.21 -0.13 -0.14 0.00 -0.15 0.00 0.00 58.65 58.44 2jfs h GLN 206 Cb 0.86 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 29.38 2jfs h GLN 206 CO -0.00 0.59 -0.49 0.28 -2.65 0.00 0.00 178.83 176.55 2jfs h VAL 207 N 0.36 1.36 -0.36 2.39 2.07 -1.44 -3.17 116.25 117.46 2jfs h VAL 207 Ca 0.06 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 65.84 2jfs h VAL 207 Cb 0.56 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2jfs h VAL 207 CO 0.04 0.54 0.05 0.00 0.02 0.00 0.00 177.57 178.23 2jfs h ALA 208 N 0.49 0.37 -0.39 1.67 0.00 -0.87 0.14 119.26 120.67 2jfs h ALA 208 Ca -0.03 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2jfs h ALA 208 Cb 1.13 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2jfs h ALA 208 CO 0.10 -0.35 -0.08 -0.39 0.00 0.00 0.00 179.25 178.53 2jfs h VAL 209 N 0.17 1.24 -0.31 0.00 -1.51 -1.42 0.11 116.25 114.53 2jfs h VAL 209 Ca 0.17 -1.06 -0.06 0.00 -1.23 0.00 0.00 66.70 64.52 2jfs h VAL 209 Cb 0.21 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 2jfs h VAL 209 CO -0.25 0.36 -0.05 0.03 -1.23 0.00 0.00 177.57 176.43 2jfs h ARG 210 N 0.62 0.57 -0.37 5.19 3.08 -1.35 -2.49 114.38 119.64 2jfs h ARG 210 Ca 0.11 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2jfs h ARG 210 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2jfs h ARG 210 CO 0.03 0.75 -0.11 0.00 -1.07 0.00 0.00 179.97 179.57 2jfs h ARG 211 N 0.35 0.64 -0.46 0.04 3.08 -0.64 -1.09 114.38 116.30 2jfs h ARG 211 Ca 0.08 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2jfs h ARG 211 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 2jfs h ARG 211 CO 0.03 0.74 0.21 -0.07 -1.07 0.00 0.00 179.97 179.80 2jfs h LEU 212 N 0.59 0.62 -0.65 3.04 3.38 -0.85 0.51 115.31 121.94 2jfs h LEU 212 Ca 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2jfs h LEU 212 Cb 0.54 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jfs h LEU 212 CO 0.03 0.59 0.24 0.58 0.09 0.00 0.00 178.44 179.97 2jfs h VAL 213 N 0.60 1.24 -0.72 1.22 2.07 -1.24 -1.79 116.25 117.64 2jfs h VAL 213 Ca 0.16 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2jfs h VAL 213 Cb 0.15 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2jfs h VAL 213 CO -0.02 0.31 0.34 -0.33 0.02 0.00 0.00 177.57 177.89 2jfs h GLU 214 N 0.92 1.04 -0.32 1.57 5.08 -0.79 -0.54 114.58 121.54 2jfs h GLU 214 Ca 0.21 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2jfs h GLU 214 Cb 0.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2jfs h GLU 214 CO -0.01 0.82 0.16 0.28 -1.00 0.00 0.00 179.01 179.25 2jfs h VAL 215 N 1.01 1.16 -0.55 3.13 2.07 -0.63 0.10 116.25 122.54 2jfs h VAL 215 Ca 0.25 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2jfs h VAL 215 Cb 0.13 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2jfs h VAL 215 CO -0.03 0.16 0.31 0.00 0.02 0.00 0.00 177.57 178.03 2jfs h ALA 216 N 1.01 0.70 -0.41 1.67 0.00 -1.11 -1.92 119.26 119.20 2jfs h ALA 216 Ca 0.11 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2jfs h ALA 216 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jfs h ALA 216 CO -0.01 0.21 -0.28 -0.91 0.00 0.00 0.00 179.25 178.26 2jfs h ASN 217 N 0.74 0.96 0.46 0.00 2.35 -0.83 -1.73 115.58 117.52 2jfs h ASN 217 Ca 0.19 -0.43 -0.04 0.00 -0.55 0.00 0.00 56.30 55.47 2jfs h ASN 217 Cb 0.04 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2jfs h ASN 217 CO -0.03 1.18 -0.19 -0.78 -1.65 0.00 0.00 177.43 175.96 2jfs h ASP 218 N 0.74 0.00 0.62 5.81 3.58 -0.68 -1.34 116.42 125.16 2jfs h ASP 218 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2jfs h ASP 218 Cb 0.86 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2jfs h ASP 218 CO 0.08 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.63 2jfs n ALA 219 N -2.32 2.23 0.00 -0.78 0.00 -0.73 -4.84 120.51 114.07 2jfs n ALA 219 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2jfs n ALA 219 Cb 0.31 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2jfs n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jfs n GLY 220 N 0.95 1.22 3.09 0.00 0.00 -0.52 -4.75 105.19 105.18 2jfs n GLY 220 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2jfs n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jfs n GLY 221 N 0.00 -0.52 0.28 -0.02 0.00 -0.68 -4.80 105.19 99.45 2jfs n GLY 221 Ca 0.00 0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.30 2jfs n GLY 221 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jfs h SER 222 N -1.41 0.00 -3.54 1.61 4.64 -1.91 -3.30 113.55 109.64 2jfs h SER 222 Ca -0.52 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.37 2jfs h SER 222 Cb 1.36 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.31 2jfs h SER 222 CO 0.57 0.07 -0.65 -0.62 -0.87 0.00 0.00 176.83 175.32 2jfs s ASP 223 N -6.03 2.14 0.40 4.97 2.15 -1.26 -4.51 116.67 114.52 2jfs s ASP 223 Ca -0.03 -1.24 -0.27 0.00 0.43 0.00 0.00 52.55 51.44 2jfs s ASP 223 Cb 0.13 -0.05 -0.10 0.00 -0.30 0.00 0.00 42.92 42.60 2jfs s ASP 223 CO 0.55 -0.48 1.46 0.59 -0.17 0.00 0.00 175.17 177.12 2jfs n ASN 224 N -0.50 3.63 -4.10 -0.34 5.03 -1.23 -4.43 115.26 113.32 2jfs n ASN 224 Ca -0.05 1.20 -0.27 0.00 0.87 0.00 0.00 54.58 56.34 2jfs n ASN 224 Cb 0.64 -1.61 -0.16 0.00 -1.02 0.00 0.00 39.78 37.63 2jfs n ASN 224 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2jfs s THR 225 N -1.14 1.43 -0.02 3.41 2.01 -0.16 -3.70 115.64 117.47 2jfs s THR 225 Ca 0.55 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2jfs s THR 225 Cb -0.47 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 70.79 2jfs s THR 225 CO 0.62 0.42 -0.03 -0.89 -0.69 0.00 0.00 174.62 174.05 2jfs s THR 226 N 0.35 0.31 0.00 -0.82 2.01 -1.26 -0.50 115.64 115.73 2jfs s THR 226 Ca -0.11 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2jfs s THR 226 Cb -0.14 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 2jfs s THR 226 CO 0.04 0.13 0.00 0.68 -0.69 0.00 0.00 174.62 174.78 2jfs s VAL 227 N 0.39 0.04 -0.09 3.82 -7.23 -0.00 -1.09 120.40 116.24 2jfs s VAL 227 Ca -0.04 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2jfs s VAL 227 Cb -0.07 -0.12 0.02 0.00 0.56 0.00 0.00 36.38 36.77 2jfs s VAL 227 CO -0.01 -0.18 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.83 2jfs s VAL 228 N -0.54 0.97 -0.11 1.32 1.01 0.09 -1.28 120.40 121.86 2jfs s VAL 228 Ca -0.06 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2jfs s VAL 228 Cb -0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 2jfs s VAL 228 CO -0.00 0.34 -0.17 -0.69 0.00 0.00 0.00 175.10 174.59 2jfs s VAL 229 N 1.36 2.73 -0.13 2.92 1.01 0.06 -0.98 120.40 127.38 2jfs s VAL 229 Ca -0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2jfs s VAL 229 Cb -0.14 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2jfs s VAL 229 CO -0.04 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 2jfs s ILE 230 N 0.27 1.22 -0.15 2.22 1.01 0.07 -1.10 121.20 124.75 2jfs s ILE 230 Ca -0.12 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 2jfs s ILE 230 Cb -0.16 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 2jfs s ILE 230 CO 0.06 0.40 0.28 -1.81 0.00 0.00 0.00 174.94 173.87 2jfs s ASP 231 N 1.62 6.45 -0.02 3.58 1.01 0.04 -0.39 116.67 128.97 2jfs s ASP 231 Ca 0.05 0.53 -0.01 0.00 0.71 0.00 0.00 52.55 53.82 2jfs s ASP 231 Cb -0.13 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 2jfs s ASP 231 CO -0.09 0.15 0.10 -0.76 0.21 0.00 0.00 175.17 174.78 2jfs s LEU 232 N 0.20 4.01 0.00 1.23 1.43 -0.48 -0.31 118.68 124.76 2jfs s LEU 232 Ca 0.16 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2jfs s LEU 232 Cb -0.13 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.80 2jfs s LEU 232 CO 0.04 0.29 0.12 0.61 0.23 0.00 0.00 176.35 177.64