#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iub s ALA 2 N 0.00 3.28 0.26 -5.12 0.00 -1.26 -4.98 121.76 113.94 3iub s ALA 2 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 3iub s ALA 2 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3iub s ALA 2 CO 0.00 -0.82 1.21 0.42 0.00 0.00 0.00 175.76 176.57 3iub s ILE 3 N -1.25 3.25 0.73 0.00 1.01 -1.26 -4.99 121.20 118.68 3iub s ILE 3 Ca 0.56 1.17 -0.16 0.00 0.00 0.00 0.00 60.65 62.22 3iub s ILE 3 Cb -0.38 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3iub s ILE 3 CO 0.49 0.25 0.81 -2.65 0.00 0.00 0.00 174.94 173.84 3iub n PRO 4 N 1.56 0.41 -1.69 2.79 -0.02 -1.26 -4.87 135.00 131.91 3iub n PRO 4 Ca 0.01 0.19 -0.44 0.00 -2.02 0.00 0.00 63.50 61.25 3iub n PRO 4 Cb 0.44 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3iub n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iub n ALA 5 N -2.50 1.51 -3.74 3.55 0.00 -1.26 -4.90 120.51 113.18 3iub n ALA 5 Ca 0.12 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.80 3iub n ALA 5 Cb 0.50 -2.33 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 3iub n ALA 5 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3iub s PHE 6 N -0.09 -0.04 -0.34 0.00 5.36 -1.26 -5.04 117.98 116.57 3iub s PHE 6 Ca 0.66 0.30 -0.04 0.00 -0.96 0.00 0.00 56.93 56.90 3iub s PHE 6 Cb -0.60 -0.24 0.06 0.00 -0.34 0.00 0.00 43.02 41.90 3iub s PHE 6 CO 0.50 -0.15 0.08 -1.01 -1.46 0.00 0.00 175.22 173.18 3iub s HIS 7 N 1.41 3.34 0.44 10.12 3.76 -1.26 -5.09 115.29 128.00 3iub s HIS 7 Ca -0.06 -1.86 -0.25 0.00 -0.15 0.00 0.00 55.06 52.74 3iub s HIS 7 Cb -0.12 -2.44 -0.09 0.00 1.11 0.00 0.00 32.58 31.04 3iub s HIS 7 CO -0.04 -0.82 1.35 -2.30 -0.85 0.00 0.00 174.74 172.07 3iub n PRO 8 N 4.68 2.08 -0.97 8.40 -0.02 -1.26 -2.39 135.00 145.52 3iub n PRO 8 Ca -0.10 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3iub n PRO 8 Cb 0.43 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3iub n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iub n GLY 9 N 0.70 0.75 3.55 -1.23 0.00 -1.26 -5.01 105.19 102.69 3iub n GLY 9 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3iub n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iub s GLU 10 N -0.11 1.86 -0.46 1.61 2.02 -1.00 -5.04 118.70 117.58 3iub s GLU 10 Ca 0.00 -1.82 -0.27 0.00 0.02 0.00 0.00 54.97 52.90 3iub s GLU 10 Cb 0.00 -1.80 0.03 0.00 0.10 0.00 0.00 34.13 32.46 3iub s GLU 10 CO 0.00 0.21 1.02 -1.17 0.02 0.00 0.00 175.26 175.34 3iub s LEU 11 N -3.61 3.85 -0.25 1.80 2.96 -1.26 -4.28 118.68 117.90 3iub s LEU 11 Ca 0.32 0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 54.43 3iub s LEU 11 Cb -0.01 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 3iub s LEU 11 CO 0.17 -1.12 0.23 0.20 -1.32 0.00 0.00 176.35 174.51 3iub s ASN 12 N 2.30 6.15 -0.19 3.68 0.01 0.40 -4.96 114.94 122.33 3iub s ASN 12 Ca 0.42 0.15 -0.05 0.00 -0.71 0.00 0.00 52.86 52.67 3iub s ASN 12 Cb -0.09 -2.14 -0.03 0.00 0.41 0.00 0.00 41.25 39.40 3iub s ASN 12 CO 0.28 -0.02 -0.00 -0.69 -1.51 0.00 0.00 177.10 175.15 3iub s VAL 13 N 1.45 4.03 -0.06 1.60 1.01 -1.26 -1.03 120.40 126.15 3iub s VAL 13 Ca 0.10 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3iub s VAL 13 Cb -0.15 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.43 3iub s VAL 13 CO 0.08 0.45 -0.13 -0.31 0.00 0.00 0.00 175.10 175.18 3iub s TYR 14 N 0.75 1.49 -0.03 5.22 2.02 -0.42 -4.99 117.35 121.40 3iub s TYR 14 Ca 0.00 -0.52 0.20 0.00 -0.37 0.00 0.00 57.07 56.39 3iub s TYR 14 Cb -0.14 -1.07 -0.31 0.00 -0.40 0.00 0.00 41.96 40.04 3iub s TYR 14 CO 0.02 -0.24 0.44 0.43 -1.57 0.00 0.00 175.55 174.62 3iub n SER 15 N 3.63 0.38 -4.66 2.29 7.64 -1.26 -0.72 113.62 120.91 3iub n SER 15 Ca -0.21 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.27 3iub n SER 15 Cb 0.52 1.91 -0.06 0.00 -1.01 0.00 0.00 64.21 65.57 3iub n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iub s ALA 16 N -3.39 3.55 0.32 -0.43 0.00 -1.26 -3.88 121.76 116.67 3iub s ALA 16 Ca -0.07 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 51.67 3iub s ALA 16 Cb 0.13 -2.97 0.72 0.00 0.00 0.00 0.00 23.12 21.00 3iub s ALA 16 CO 0.84 -0.57 1.83 -1.35 0.00 0.00 0.00 175.76 176.51 3iub h PRO 17 N 7.50 0.78 -0.65 0.00 0.11 -1.92 -1.39 132.00 136.43 3iub h PRO 17 Ca -0.31 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 3iub h PRO 17 Cb 1.14 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 3iub h PRO 17 CO 0.77 0.51 0.28 0.78 -0.21 0.00 0.00 178.00 180.13 3iub h GLY 18 N 0.80 1.02 0.84 -0.55 0.00 -1.97 -1.22 103.07 101.99 3iub h GLY 18 Ca 0.50 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3iub h GLY 18 CO -0.27 0.49 0.01 -0.55 0.00 0.00 0.00 176.54 176.21 3iub h ASP 19 N 0.94 0.39 0.29 0.19 3.32 -1.67 -1.60 116.42 118.28 3iub h ASP 19 Ca 0.22 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 3iub h ASP 19 Cb 0.15 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3iub h ASP 19 CO -0.02 0.60 -0.53 1.62 -1.72 0.00 0.00 179.24 179.19 3iub h VAL 20 N 0.17 1.35 -0.49 -1.35 3.04 -1.34 -1.03 116.25 116.61 3iub h VAL 20 Ca 0.07 -1.80 0.01 0.00 -1.01 0.00 0.00 66.70 63.97 3iub h VAL 20 Cb 0.39 1.86 -0.03 0.00 -2.01 0.00 0.00 31.29 31.51 3iub h VAL 20 CO 0.01 0.54 0.32 0.00 -1.01 0.00 0.00 177.57 177.42 3iub h ALA 21 N 1.24 0.62 -0.32 3.17 0.00 -1.15 0.95 119.26 123.78 3iub h ALA 21 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3iub h ALA 21 Cb 1.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3iub h ALA 21 CO 0.08 0.05 -0.25 -0.44 0.00 0.00 0.00 179.25 178.70 3iub h ASP 22 N 0.65 0.77 -0.38 0.00 3.32 -1.02 -1.35 116.42 118.40 3iub h ASP 22 Ca 0.18 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 3iub h ASP 22 Cb -0.06 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3iub h ASP 22 CO -0.05 1.05 0.04 0.58 -1.72 0.00 0.00 179.24 179.14 3iub h VAL 23 N 0.49 1.25 -0.49 -1.35 2.07 -1.07 -1.32 116.25 115.83 3iub h VAL 23 Ca 0.06 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3iub h VAL 23 Cb 0.81 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3iub h VAL 23 CO 0.07 0.31 0.29 -1.28 0.02 0.00 0.00 177.57 176.97 3iub h SER 24 N 0.49 0.47 -0.41 0.57 0.87 -0.79 0.04 113.55 114.78 3iub h SER 24 Ca 0.11 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3iub h SER 24 Cb 0.41 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3iub h SER 24 CO 0.01 0.33 0.24 -0.09 -0.53 0.00 0.00 176.83 176.79 3iub h ARG 25 N 0.58 0.56 -0.56 2.24 2.43 -1.10 -1.01 114.38 117.52 3iub h ARG 25 Ca 0.20 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3iub h ARG 25 Cb 0.02 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3iub h ARG 25 CO -0.09 0.44 0.36 0.00 -1.51 0.00 0.00 179.97 179.16 3iub h ALA 26 N 1.09 0.72 -0.65 2.80 0.00 -0.99 -2.09 119.26 120.14 3iub h ALA 26 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3iub h ALA 26 Cb 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3iub h ALA 26 CO -0.03 0.11 0.24 -0.07 0.00 0.00 0.00 179.25 179.50 3iub h LEU 27 N 0.72 0.91 -0.77 0.00 3.38 -0.64 -2.13 115.31 116.77 3iub h LEU 27 Ca 0.22 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3iub h LEU 27 Cb -0.03 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3iub h LEU 27 CO -0.07 0.84 0.48 -0.09 0.09 0.00 0.00 178.44 179.69 3iub h ARG 28 N 0.92 0.87 0.00 1.13 9.65 -0.96 -1.68 114.38 124.31 3iub h ARG 28 Ca 0.21 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 3iub h ARG 28 Cb 0.23 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 3iub h ARG 28 CO -0.01 0.58 0.00 1.28 2.80 0.00 0.00 179.97 184.61 3iub n LEU 29 N -4.65 0.65 -0.59 3.80 4.77 -0.81 -1.01 117.00 119.16 3iub n LEU 29 Ca 0.10 0.64 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 3iub n LEU 29 Cb 0.13 -0.53 0.41 0.00 -2.33 0.00 0.00 43.42 41.11 3iub n LEU 29 CO 0.32 -0.47 0.80 0.35 -1.33 0.00 0.00 177.39 177.06 3iub n THR 30 N -2.20 0.12 0.00 -5.08 -2.24 -0.67 -4.95 114.28 99.26 3iub n THR 30 Ca 0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3iub n THR 30 Cb 0.26 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3iub n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iub n GLY 31 N 1.19 3.04 3.66 3.38 0.00 -0.18 -5.07 105.19 111.22 3iub n GLY 31 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3iub n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iub n ARG 32 N -1.87 0.63 -3.59 1.61 5.12 -1.00 -4.96 116.66 112.59 3iub n ARG 32 Ca 0.00 0.27 -0.41 0.00 -1.93 0.00 0.00 57.85 55.79 3iub n ARG 32 Cb 0.00 -2.35 -0.11 0.00 -1.16 0.00 0.00 32.46 28.85 3iub n ARG 32 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3iub s ARG 33 N -3.47 2.76 -0.15 5.56 0.52 0.13 -4.29 118.95 120.01 3iub s ARG 33 Ca 0.76 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.48 3iub s ARG 33 Cb -0.35 -3.76 -0.01 0.00 0.52 0.00 0.00 34.95 31.35 3iub s ARG 33 CO 0.47 -0.78 1.18 0.08 0.02 0.00 0.00 175.30 176.27 3iub s VAL 34 N 1.52 4.39 -0.10 3.52 1.01 -1.26 -1.84 120.40 127.64 3iub s VAL 34 Ca 0.02 1.69 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 3iub s VAL 34 Cb -0.20 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 3iub s VAL 34 CO 0.05 -0.10 -0.04 -0.04 0.00 0.00 0.00 175.10 174.97 3iub s MET 35 N 3.03 3.05 -0.11 2.72 1.00 0.14 -0.03 119.30 129.09 3iub s MET 35 Ca 0.52 -0.51 0.02 0.00 0.00 0.00 0.00 55.69 55.72 3iub s MET 35 Cb -0.21 -2.72 -0.01 0.00 0.00 0.00 0.00 34.83 31.89 3iub s MET 35 CO 0.15 0.56 -0.18 -1.17 0.00 0.00 0.00 175.02 174.38 3iub s LEU 36 N -0.51 2.42 -0.36 -0.03 2.96 -0.30 -0.42 118.68 122.44 3iub s LEU 36 Ca 0.08 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3iub s LEU 36 Cb -0.12 -1.52 0.10 0.00 0.50 0.00 0.00 46.19 45.16 3iub s LEU 36 CO 0.02 0.17 0.07 -0.69 -1.32 0.00 0.00 176.35 174.60 3iub s VAL 37 N 0.32 2.29 0.13 1.68 1.01 0.19 -1.18 120.40 124.84 3iub s VAL 37 Ca -0.14 -2.44 -0.30 0.00 0.00 0.00 0.00 61.98 59.10 3iub s VAL 37 Cb -0.17 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 3iub s VAL 37 CO 0.07 -0.62 1.00 -2.84 0.00 0.00 0.00 175.10 172.71 3iub s PRO 38 N 0.79 4.67 0.14 2.72 0.02 -1.26 -1.77 135.00 140.30 3iub s PRO 38 Ca 0.12 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.65 3iub s PRO 38 Cb -0.20 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 3iub s PRO 38 CO -0.07 0.17 0.07 0.95 -0.33 0.00 0.00 177.00 177.78 3iub s THR 39 N -0.04 0.09 -0.34 0.99 -4.23 -0.03 -4.92 115.64 107.16 3iub s THR 39 Ca 0.48 -1.92 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 3iub s THR 39 Cb -0.25 -2.10 0.58 0.00 1.34 0.00 0.00 72.50 72.07 3iub s THR 39 CO 0.31 -0.41 1.64 0.23 -0.54 0.00 0.00 174.62 175.85 3iub n MET 40 N -0.12 2.12 0.00 3.99 2.81 -1.26 -2.20 117.12 122.46 3iub n MET 40 Ca -0.05 -3.11 0.00 0.00 -1.81 0.00 0.00 57.70 52.73 3iub n MET 40 Cb 0.64 -1.97 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 3iub n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iub n GLY 41 N -1.06 -0.44 3.67 3.03 0.00 -1.26 -4.64 105.19 104.48 3iub n GLY 41 Ca 0.42 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 3iub n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iub n ALA 42 N 1.24 -2.62 -1.77 4.61 0.00 -1.26 -4.84 120.51 115.87 3iub n ALA 42 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 53.44 52.79 3iub n ALA 42 Cb 0.00 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 16.71 3iub n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iub s LEU 43 N -5.87 4.31 0.00 0.00 1.43 -1.26 -4.93 118.68 112.36 3iub s LEU 43 Ca 0.29 2.30 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 3iub s LEU 43 Cb -0.12 -3.90 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 3iub s LEU 43 CO 0.87 -0.48 0.17 0.00 0.23 0.00 0.00 176.35 177.14 3iub n HIS 44 N 0.43 -0.33 0.27 0.29 1.44 -1.26 -5.02 115.22 111.04 3iub n HIS 44 Ca 0.02 -2.00 0.10 0.00 -2.01 0.00 0.00 57.72 53.84 3iub n HIS 44 Cb 0.46 0.13 0.70 0.00 0.12 0.00 0.00 29.99 31.41 3iub n HIS 44 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3iub h GLU 45 N 0.00 0.00 0.11 -1.40 4.39 -1.99 -0.92 114.58 114.78 3iub h GLU 45 Ca -0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 3iub h GLU 45 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 3iub h GLU 45 CO 0.29 0.01 -0.05 0.78 -1.16 0.00 0.00 179.01 178.87 3iub h GLY 46 N 0.02 -0.16 1.01 -3.84 0.00 -1.93 -1.12 103.07 97.06 3iub h GLY 46 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3iub h GLY 46 CO 0.00 -0.06 0.57 0.45 0.00 0.00 0.00 176.54 177.50 3iub h HIS 47 N -0.16 1.17 -0.39 5.60 3.86 -1.60 -2.59 115.15 121.03 3iub h HIS 47 Ca -0.02 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3iub h HIS 47 Cb 0.12 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3iub h HIS 47 CO -0.07 0.76 0.01 -0.07 0.86 0.00 0.00 177.93 179.42 3iub h LEU 48 N 1.23 0.57 -1.04 2.43 3.38 -1.04 -1.52 115.31 119.32 3iub h LEU 48 Ca 0.33 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3iub h LEU 48 Cb -0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3iub h LEU 48 CO -0.07 0.63 0.63 0.00 0.09 0.00 0.00 178.44 179.72 3iub h ALA 49 N 1.44 1.30 -0.25 1.53 0.00 -0.84 1.00 119.26 123.43 3iub h ALA 49 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iub h ALA 49 Cb 0.35 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iub h ALA 49 CO 0.01 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 179.98 3iub h LEU 50 N 1.31 0.31 -0.45 0.00 3.38 -1.01 -1.44 115.31 117.42 3iub h LEU 50 Ca 0.35 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.27 3iub h LEU 50 Cb -0.14 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3iub h LEU 50 CO -0.07 0.30 0.24 0.58 0.09 0.00 0.00 178.44 179.58 3iub h VAL 51 N 0.30 0.99 -0.36 1.22 2.07 -0.93 -1.05 116.25 118.48 3iub h VAL 51 Ca 0.09 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3iub h VAL 51 Cb 0.06 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3iub h VAL 51 CO -0.01 0.09 -0.12 0.03 0.02 0.00 0.00 177.57 177.57 3iub h ARG 52 N 0.47 0.64 -0.52 1.57 3.08 -0.65 -0.08 114.38 118.90 3iub h ARG 52 Ca 0.19 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3iub h ARG 52 Cb 0.07 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3iub h ARG 52 CO -0.12 0.74 0.14 0.00 -1.07 0.00 0.00 179.97 179.67 3iub h ALA 53 N 1.29 0.68 -0.71 0.04 0.00 -0.95 -2.60 119.26 117.01 3iub h ALA 53 Ca 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3iub h ALA 53 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3iub h ALA 53 CO 0.03 0.35 0.28 0.00 0.00 0.00 0.00 179.25 179.92 3iub h ALA 54 N 1.01 1.17 0.00 0.00 0.00 -0.54 -2.89 119.26 118.01 3iub h ALA 54 Ca 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3iub h ALA 54 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iub h ALA 54 CO -0.00 0.60 -0.27 0.87 0.00 0.00 0.00 179.25 180.45 3iub h LYS 55 N 1.02 0.00 0.00 0.00 1.57 -0.73 -2.89 116.57 115.54 3iub h LYS 55 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3iub h LYS 55 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3iub h LYS 55 CO -0.02 0.27 -0.10 0.00 -0.57 0.00 0.00 179.45 179.03 3iub h ARG 56 N 0.00 0.00 -6.31 3.15 3.08 -1.25 -3.43 114.38 109.62 3iub h ARG 56 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 3iub h ARG 56 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3iub h ARG 56 CO 0.04 0.10 0.97 0.08 -1.07 0.00 0.00 179.97 180.08 3iub s VAL 57 N -4.01 3.63 0.32 2.04 1.01 -1.10 -4.94 120.40 117.35 3iub s VAL 57 Ca -0.02 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 3iub s VAL 57 Cb 0.12 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.80 3iub s VAL 57 CO 0.56 -0.04 1.53 -2.65 0.00 0.00 0.00 175.10 174.50 3iub n PRO 58 N 6.25 2.63 -0.99 2.72 -0.02 -1.26 -1.59 135.00 142.74 3iub n PRO 58 Ca 0.15 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3iub n PRO 58 Cb 0.43 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3iub n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iub n GLY 59 N 1.48 0.47 3.77 -1.23 0.00 -1.26 -4.77 105.19 103.65 3iub n GLY 59 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3iub n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iub s SER 60 N -2.11 6.49 -0.09 1.61 1.04 -0.62 -0.70 113.70 119.32 3iub s SER 60 Ca 0.00 2.71 0.04 0.00 0.48 0.00 0.00 55.95 59.18 3iub s SER 60 Cb 0.00 -2.65 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 3iub s SER 60 CO 0.00 -0.73 -0.23 0.54 0.98 0.00 0.00 173.24 173.80 3iub s VAL 61 N -1.20 2.19 -0.22 5.02 0.11 -0.77 -4.81 120.40 120.72 3iub s VAL 61 Ca 0.53 -0.98 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 3iub s VAL 61 Cb -0.40 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 3iub s VAL 61 CO 0.52 0.56 0.12 -0.69 -3.33 0.00 0.00 175.10 172.28 3iub s VAL 62 N 0.23 5.03 -0.24 2.04 1.01 -1.26 -0.69 120.40 126.52 3iub s VAL 62 Ca -0.15 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 3iub s VAL 62 Cb -0.17 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3iub s VAL 62 CO 0.08 0.38 0.05 -0.69 0.00 0.00 0.00 175.10 174.91 3iub s VAL 63 N 0.92 4.14 -0.22 2.92 1.01 0.44 -2.08 120.40 127.53 3iub s VAL 63 Ca 0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.74 3iub s VAL 63 Cb -0.13 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3iub s VAL 63 CO 0.03 0.36 0.04 -0.69 0.00 0.00 0.00 175.10 174.83 3iub s VAL 64 N 1.57 4.17 -0.01 2.92 1.01 -0.14 -0.63 120.40 129.29 3iub s VAL 64 Ca 0.06 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 3iub s VAL 64 Cb -0.15 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 3iub s VAL 64 CO 0.02 0.39 0.34 -0.94 0.00 0.00 0.00 175.10 174.92 3iub s SER 65 N 1.22 6.67 -0.25 3.32 1.04 -0.73 -0.66 113.70 124.31 3iub s SER 65 Ca 0.04 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.28 3iub s SER 65 Cb -0.14 -2.19 0.07 0.00 0.10 0.00 0.00 66.02 63.85 3iub s SER 65 CO 0.02 0.31 -0.02 -0.63 0.98 0.00 0.00 173.24 173.90 3iub s ILE 66 N -1.15 1.41 -0.22 -1.02 1.01 0.13 -0.85 121.20 120.51 3iub s ILE 66 Ca 0.24 -1.26 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 3iub s ILE 66 Cb -0.15 -1.77 0.10 0.00 0.01 0.00 0.00 42.46 40.65 3iub s ILE 66 CO 0.13 -0.22 0.48 0.12 0.00 0.00 0.00 174.94 175.45 3iub s PHE 67 N 1.43 -0.93 -0.52 3.97 5.36 -0.94 -4.10 117.98 122.25 3iub s PHE 67 Ca -0.02 1.72 -0.23 0.00 -0.96 0.00 0.00 56.93 57.44 3iub s PHE 67 Cb -0.18 0.43 0.04 0.00 -0.34 0.00 0.00 43.02 42.97 3iub s PHE 67 CO -0.09 -0.52 0.87 0.08 -1.46 0.00 0.00 175.22 174.10 3iub s VAL 68 N 2.61 4.50 -0.34 3.12 1.01 -1.26 -4.40 120.40 125.65 3iub s VAL 68 Ca -0.03 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3iub s VAL 68 Cb -0.12 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.80 3iub s VAL 68 CO -0.14 -1.00 1.31 0.21 0.00 0.00 0.00 175.10 175.48 3iub s ASN 69 N 2.68 6.61 0.53 3.32 2.47 -1.26 -4.88 114.94 124.40 3iub s ASN 69 Ca 0.28 1.07 0.30 0.00 0.42 0.00 0.00 52.86 54.94 3iub s ASN 69 Cb -0.13 -2.54 1.43 0.00 -1.45 0.00 0.00 41.25 38.55 3iub s ASN 69 CO 0.19 -1.16 2.03 1.55 -3.72 0.00 0.00 177.10 175.99 3iub h PRO 70 N 9.55 0.00 0.00 0.43 0.13 -1.99 -3.07 132.00 137.05 3iub h PRO 70 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3iub h PRO 70 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3iub h PRO 70 CO 1.05 0.10 -0.15 1.98 -0.23 0.00 0.00 178.00 180.76 3iub h MET 71 N 0.00 0.00 0.00 0.86 4.05 -1.92 -3.53 114.93 114.39 3iub h MET 71 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3iub h MET 71 Cb 0.43 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 3iub h MET 71 CO 0.01 0.15 -0.41 0.00 0.23 0.00 0.00 176.91 176.89 3iub n GLN 72 N -3.24 0.22 -0.83 0.39 10.64 -1.16 -4.22 117.38 119.18 3iub n GLN 72 Ca 0.01 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 3iub n GLN 72 Cb 0.44 -0.85 0.00 0.00 -0.86 0.00 0.00 30.24 28.98 3iub n GLN 72 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 3iub n PRO 83 N -3.36 0.00 -3.55 2.61 -0.02 -1.26 -4.79 135.00 124.62 3iub n PRO 83 Ca -0.06 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.16 3iub n PRO 83 Cb 0.21 -0.99 -0.15 0.00 -0.02 0.00 0.00 33.50 32.55 3iub n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3iub s ARG 84 N -1.17 0.15 -0.70 -0.52 0.52 -1.26 -4.35 118.95 111.63 3iub s ARG 84 Ca 0.00 -0.31 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 3iub s ARG 84 Cb 0.00 -1.36 0.17 0.00 0.52 0.00 0.00 34.95 34.28 3iub s ARG 84 CO 0.00 -0.88 0.49 -0.08 0.02 0.00 0.00 175.30 174.84 3iub s THR 85 N 2.14 3.00 0.08 0.02 -1.32 -1.26 -5.01 115.64 113.29 3iub s THR 85 Ca 0.07 -4.10 -0.26 0.00 -1.21 0.00 0.00 61.69 56.18 3iub s THR 85 Cb -0.16 -2.97 -0.16 0.00 -1.51 0.00 0.00 72.50 67.70 3iub s THR 85 CO -0.26 -0.98 1.69 1.55 -2.21 0.00 0.00 174.62 174.41 3iub h PRO 86 N 5.62 -0.26 -0.25 7.08 0.13 -2.00 -2.54 132.00 139.78 3iub h PRO 86 Ca 0.11 0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 65.09 3iub h PRO 86 Cb 0.78 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3iub h PRO 86 CO 0.73 -0.17 -0.52 -0.44 -0.23 0.00 0.00 178.00 177.37 3iub h ASP 87 N -0.28 0.80 -0.48 1.44 3.32 -2.00 -2.45 116.42 116.76 3iub h ASP 87 Ca -0.03 -0.41 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 3iub h ASP 87 Cb 0.22 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3iub h ASP 87 CO 0.05 1.17 0.03 -0.78 -1.72 0.00 0.00 179.24 177.98 3iub h ASP 88 N 0.56 0.81 -0.36 6.45 3.58 -2.00 -2.08 116.42 123.39 3iub h ASP 88 Ca 0.02 -0.29 0.08 0.00 0.42 0.00 0.00 57.03 57.26 3iub h ASP 88 Cb 1.09 -0.22 -0.08 0.00 1.72 0.00 0.00 39.33 41.84 3iub h ASP 88 CO 0.11 0.90 -0.21 0.44 -2.88 0.00 0.00 179.24 177.61 3iub h ASP 89 N 0.70 -0.69 -0.59 2.28 3.32 -1.28 -0.71 116.42 119.44 3iub h ASP 89 Ca 0.14 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 3iub h ASP 89 Cb 0.47 0.36 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 3iub h ASP 89 CO 0.02 -0.24 0.08 -0.07 -1.72 0.00 0.00 179.24 177.31 3iub h LEU 90 N -0.15 0.98 -0.61 1.55 3.38 -1.36 -1.98 115.31 117.12 3iub h LEU 90 Ca 0.18 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3iub h LEU 90 Cb 0.43 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3iub h LEU 90 CO -0.45 0.99 0.38 0.00 0.09 0.00 0.00 178.44 179.45 3iub h ALA 91 N 1.12 0.79 -0.69 1.53 0.00 -0.94 0.00 119.26 121.08 3iub h ALA 91 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3iub h ALA 91 Cb 0.44 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3iub h ALA 91 CO 0.01 0.12 0.45 1.96 0.00 0.00 0.00 179.25 181.80 3iub h GLN 92 N 0.75 0.88 -0.49 0.00 4.20 -0.64 -0.82 115.11 118.98 3iub h GLN 92 Ca 0.24 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.81 3iub h GLN 92 Cb 0.01 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3iub h GLN 92 CO -0.10 0.58 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.52 3iub h LEU 93 N 0.90 0.89 -0.54 1.46 3.38 -0.95 -1.66 115.31 118.79 3iub h LEU 93 Ca 0.26 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3iub h LEU 93 Cb -0.06 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 3iub h LEU 93 CO -0.08 1.01 0.26 -0.09 0.09 0.00 0.00 178.44 179.64 3iub h ARG 94 N 0.75 0.49 0.00 1.13 2.43 -0.78 -1.53 114.38 116.87 3iub h ARG 94 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3iub h ARG 94 Cb 0.59 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3iub h ARG 94 CO 0.04 0.32 -0.06 0.00 -1.51 0.00 0.00 179.97 178.76 3iub h ALA 95 N 1.30 1.42 -0.01 2.80 0.00 -0.73 -1.67 119.26 122.38 3iub h ALA 95 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iub h ALA 95 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iub h ALA 95 CO -0.18 0.07 -0.28 0.39 0.00 0.00 0.00 179.25 179.25 3iub n GLU 96 N -3.77 0.87 -1.33 0.00 -0.58 -0.66 -4.95 120.64 110.22 3iub n GLU 96 Ca -0.02 -0.54 -0.01 0.00 -0.42 0.00 0.00 57.16 56.16 3iub n GLU 96 Cb 0.15 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.53 3iub n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iub n GLY 97 N 1.35 0.41 3.72 0.62 0.00 -0.63 -5.01 105.19 105.66 3iub n GLY 97 Ca 0.12 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3iub n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iub s VAL 98 N -2.03 3.66 -0.37 1.61 1.01 -0.66 -4.91 120.40 118.70 3iub s VAL 98 Ca 0.00 1.26 0.22 0.00 0.00 0.00 0.00 61.98 63.47 3iub s VAL 98 Cb 0.00 -3.81 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 3iub s VAL 98 CO 0.00 0.14 0.86 -0.62 0.00 0.00 0.00 175.10 175.48 3iub n GLU 99 N 3.38 0.46 -3.84 2.72 1.02 -1.20 -3.99 120.64 119.18 3iub n GLU 99 Ca 0.08 -0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 57.01 3iub n GLU 99 Cb 0.45 -1.62 -0.17 0.00 -0.02 0.00 0.00 31.44 30.08 3iub n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3iub s ILE 100 N -3.32 0.11 -0.10 -3.67 1.01 -0.88 -0.45 121.20 113.90 3iub s ILE 100 Ca -0.01 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.83 3iub s ILE 100 Cb 0.13 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.34 3iub s ILE 100 CO 0.84 0.15 -0.16 0.00 0.00 0.00 0.00 174.94 175.77 3iub s ALA 101 N 1.33 2.54 -0.26 9.38 0.00 -0.19 -0.96 121.76 133.59 3iub s ALA 101 Ca -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 3iub s ALA 101 Cb -0.13 -1.05 0.03 0.00 0.00 0.00 0.00 23.12 21.96 3iub s ALA 101 CO -0.03 0.35 -0.03 0.12 0.00 0.00 0.00 175.76 176.17 3iub s PHE 102 N 0.03 3.11 -0.54 0.00 5.36 0.16 -1.30 117.98 124.80 3iub s PHE 102 Ca -0.06 -1.53 0.07 0.00 -0.96 0.00 0.00 56.93 54.45 3iub s PHE 102 Cb -0.15 -2.09 0.28 0.00 -0.34 0.00 0.00 43.02 40.72 3iub s PHE 102 CO 0.05 -0.72 0.74 0.25 -1.46 0.00 0.00 175.22 174.08 3iub n THR 103 N 4.69 1.58 -1.84 0.12 -2.24 0.10 -0.69 114.28 116.00 3iub n THR 103 Ca -0.16 -4.97 -0.31 0.00 -2.27 0.00 0.00 64.05 56.34 3iub n THR 103 Cb 0.46 -1.71 0.02 0.00 -2.10 0.00 0.00 70.33 67.00 3iub n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3iub s PRO 104 N -2.42 3.39 0.67 -0.78 0.04 -1.25 -4.46 135.00 130.19 3iub s PRO 104 Ca 0.41 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 3iub s PRO 104 Cb 0.21 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3iub s PRO 104 CO -0.07 -0.74 1.05 0.95 0.04 0.00 0.00 177.00 178.23 3iub s THR 105 N -3.01 3.79 0.22 1.26 -4.23 -1.26 -4.87 115.64 107.53 3iub s THR 105 Ca 0.57 0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 61.50 3iub s THR 105 Cb -0.12 -3.56 0.16 0.00 1.34 0.00 0.00 72.50 70.31 3iub s THR 105 CO 0.50 -0.72 1.81 0.74 -0.54 0.00 0.00 174.62 176.41 3iub h THR 106 N -0.51 0.95 -0.26 3.99 2.02 -1.97 -1.82 112.91 115.31 3iub h THR 106 Ca -0.45 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3iub h THR 106 Cb 1.24 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3iub h THR 106 CO 0.63 0.13 0.03 0.00 0.37 0.00 0.00 175.52 176.68 3iub h ALA 107 N 1.37 1.57 -0.27 6.16 0.00 -1.94 0.59 119.26 126.75 3iub h ALA 107 Ca 0.32 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3iub h ALA 107 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3iub h ALA 107 CO -0.20 0.32 -0.47 0.00 0.00 0.00 0.00 179.25 178.90 3iub h ALA 108 N 1.67 0.67 0.02 0.00 0.00 -1.73 -1.79 119.26 118.10 3iub h ALA 108 Ca 0.09 -0.48 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3iub h ALA 108 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iub h ALA 108 CO 0.00 0.67 -0.96 0.52 0.00 0.00 0.00 179.25 179.49 3iub h MET 109 N 0.56 0.25 -2.21 0.00 2.86 -1.04 -3.37 114.93 111.98 3iub h MET 109 Ca 0.03 -0.30 -0.57 0.00 -2.06 0.00 0.00 59.70 56.80 3iub h MET 109 Cb 1.02 0.09 -0.42 0.00 0.06 0.00 0.00 31.60 32.36 3iub h MET 109 CO 0.10 1.04 -0.75 0.66 1.06 0.00 0.00 176.91 179.01 3iub n TYR 110 N -3.65 3.12 0.26 -0.22 4.01 0.17 -4.91 117.16 115.94 3iub n TYR 110 Ca -0.05 -3.97 0.12 0.00 -0.16 0.00 0.00 57.90 53.84 3iub n TYR 110 Cb 0.86 -0.48 0.70 0.00 -0.31 0.00 0.00 39.34 40.11 3iub n TYR 110 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3iub h PRO 111 N 3.22 0.00 -0.44 -0.72 0.13 -1.50 -1.31 132.00 131.39 3iub h PRO 111 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3iub h PRO 111 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3iub h PRO 111 CO 0.75 0.13 0.00 -0.25 -0.23 0.00 0.00 178.00 178.40 3iub n ASP 112 N -3.68 4.69 -0.49 1.44 8.00 -1.26 -5.08 116.55 120.17 3iub n ASP 112 Ca -0.02 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.62 3iub n ASP 112 Cb 0.24 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 3iub n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iub n GLY 113 N 0.19 -1.06 3.65 0.44 0.00 -0.49 -4.65 105.19 103.26 3iub n GLY 113 Ca 0.24 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 3iub n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iub s LEU 114 N 0.00 4.16 0.00 0.99 2.96 -1.26 -4.86 118.68 120.67 3iub s LEU 114 Ca 0.00 1.78 0.00 0.00 -0.22 0.00 0.00 54.13 55.69 3iub s LEU 114 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3iub s LEU 114 CO 0.00 -0.89 0.00 -1.14 -1.32 0.00 0.00 176.35 173.00 3iub n ARG 115 N 6.93 0.00 -2.42 1.98 0.63 -1.26 -5.07 116.66 117.44 3iub n ARG 115 Ca 0.15 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.67 3iub n ARG 115 Cb 0.44 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 3iub n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3iub s THR 116 N 0.80 3.86 0.26 5.15 2.01 -1.26 -5.03 115.64 121.43 3iub s THR 116 Ca 0.00 1.44 0.02 0.00 0.31 0.00 0.00 61.69 63.45 3iub s THR 116 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3iub s THR 116 CO 0.00 0.17 0.14 0.42 -0.69 0.00 0.00 174.62 174.66 3iub s THR 117 N 0.50 0.26 -0.16 -0.82 -4.23 -1.26 -5.12 115.64 104.81 3iub s THR 117 Ca 0.55 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 3iub s THR 117 Cb -0.30 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 3iub s THR 117 CO 0.32 0.00 0.32 -0.69 -0.54 0.00 0.00 174.62 174.03 3iub s VAL 118 N -3.82 5.29 -0.43 2.29 1.01 -1.26 -5.05 120.40 118.43 3iub s VAL 118 Ca 0.38 0.60 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 3iub s VAL 118 Cb 0.06 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.84 3iub s VAL 118 CO 0.15 0.38 0.31 -1.58 0.00 0.00 0.00 175.10 174.36 3iub s GLN 119 N 0.52 2.87 0.97 2.72 2.00 -1.26 -4.62 119.66 122.87 3iub s GLN 119 Ca 0.18 -1.25 -0.12 0.00 -2.00 0.00 0.00 55.36 52.17 3iub s GLN 119 Cb -0.13 -3.95 0.18 0.00 0.80 0.00 0.00 33.01 29.90 3iub s GLN 119 CO 0.05 -0.89 1.09 -2.14 -0.50 0.00 0.00 175.29 172.89 3iub s PRO 120 N 1.59 0.60 1.21 1.67 0.02 -1.26 -5.04 135.00 133.78 3iub s PRO 120 Ca 0.04 0.96 -0.20 0.00 0.02 0.00 0.00 61.00 61.82 3iub s PRO 120 Cb -0.22 -1.72 0.30 0.00 0.02 0.00 0.00 34.50 32.88 3iub s PRO 120 CO 0.06 -2.73 1.13 0.41 -0.33 0.00 0.00 177.00 175.54 3iub n GLY 121 N -0.35 -2.62 0.32 0.52 0.00 -1.26 -4.88 105.19 96.93 3iub n GLY 121 Ca 0.07 -1.52 0.17 0.00 0.00 0.00 0.00 46.02 44.74 3iub n GLY 121 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iub h PRO 122 N 0.00 0.00 -0.39 1.61 0.13 -2.03 -1.60 132.00 129.72 3iub h PRO 122 Ca -0.42 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.81 3iub h PRO 122 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3iub h PRO 122 CO 0.28 0.00 0.28 1.25 -0.23 0.00 0.00 178.00 179.57 3iub h LEU 123 N 0.00 0.08 -1.07 1.56 5.85 -1.97 -1.12 115.31 118.64 3iub h LEU 123 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3iub h LEU 123 Cb 0.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3iub h LEU 123 CO -0.00 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 3iub h ALA 124 N 1.80 1.00 0.00 1.25 0.00 -1.62 -1.89 119.26 119.80 3iub h ALA 124 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iub h ALA 124 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iub h ALA 124 CO -0.02 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.73 3iub n ALA 125 N -1.83 3.54 -2.29 0.00 0.00 -0.42 -3.92 120.51 115.58 3iub n ALA 125 Ca 0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 3iub n ALA 125 Cb 0.19 -1.12 0.01 0.00 0.00 0.00 0.00 19.45 18.54 3iub n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3iub s GLU 126 N -3.00 3.06 4.88 0.00 2.02 -0.71 -3.15 118.70 121.79 3iub s GLU 126 Ca 0.11 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.69 3iub s GLU 126 Cb 0.17 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.89 3iub s GLU 126 CO 0.70 -0.33 0.00 1.28 0.02 0.00 0.00 175.26 176.93 3iub n LEU 127 N -2.15 0.00 0.27 1.80 4.77 -1.26 -0.09 117.00 120.33 3iub n LEU 127 Ca 0.02 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.13 3iub n LEU 127 Cb 0.58 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.45 3iub n LEU 127 CO 0.48 0.00 1.01 -0.33 -1.33 0.00 0.00 177.39 177.22 3iub h GLU 128 N 0.00 0.00 0.00 3.23 4.39 -1.91 -2.12 114.58 118.17 3iub h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3iub h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3iub h GLU 128 CO 0.00 0.09 0.00 0.41 -1.16 0.00 0.00 179.01 178.35 3iub n GLY 129 N -0.79 -1.18 0.13 -3.84 0.00 0.86 -2.89 105.19 97.49 3iub n GLY 129 Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 3iub n GLY 129 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iub h GLY 130 N 4.34 -0.35 2.00 -0.02 0.00 -1.33 -2.67 103.07 105.04 3iub h GLY 130 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3iub h GLY 130 CO 0.00 -0.13 -0.04 -2.55 0.00 0.00 0.00 176.54 173.82 3iub h PRO 131 N -0.36 0.00 -2.23 4.80 0.11 -1.77 -3.38 132.00 129.17 3iub h PRO 131 Ca -0.03 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.50 3iub h PRO 131 Cb 0.26 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 30.97 3iub h PRO 131 CO 0.06 0.04 -0.96 0.54 -0.21 0.00 0.00 178.00 177.46 3iub n ARG 132 N -3.18 0.82 0.24 1.05 1.74 -1.14 -4.99 116.66 111.20 3iub n ARG 132 Ca -0.00 -3.47 0.17 0.00 -0.77 0.00 0.00 57.85 53.78 3iub n ARG 132 Cb 0.28 -1.57 0.86 0.00 -1.02 0.00 0.00 32.46 31.01 3iub n ARG 132 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3iub h PRO 133 N 4.70 0.00 -0.03 5.56 0.13 -1.66 -2.19 132.00 138.51 3iub h PRO 133 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3iub h PRO 133 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3iub h PRO 133 CO 0.49 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.51 3iub n THR 134 N -2.68 0.03 0.07 1.56 -2.24 -1.26 -4.72 114.28 105.04 3iub n THR 134 Ca -0.02 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.13 3iub n THR 134 Cb 0.09 1.24 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 3iub n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3iub h HIS 135 N 2.53 -0.39 -0.02 4.78 6.17 -1.70 -2.78 115.15 123.75 3iub h HIS 135 Ca 0.00 0.01 -0.12 0.00 0.71 0.00 0.00 60.37 60.97 3iub h HIS 135 Cb 0.55 0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.63 3iub h HIS 135 CO 0.01 -0.22 -0.56 0.74 0.71 0.00 0.00 177.93 178.61 3iub h PHE 136 N -0.27 0.08 -0.62 5.26 0.04 -1.85 -2.01 116.94 117.57 3iub h PHE 136 Ca 0.04 -0.03 0.12 0.00 2.80 0.00 0.00 57.97 60.90 3iub h PHE 136 Cb 0.31 -0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.36 3iub h PHE 136 CO -0.19 0.61 0.16 0.00 -0.60 0.00 0.00 178.31 178.30 3iub h ALA 137 N 1.38 0.77 -0.16 2.45 0.00 -1.78 0.12 119.26 122.04 3iub h ALA 137 Ca -0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iub h ALA 137 Cb 1.01 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3iub h ALA 137 CO 0.08 -0.28 0.08 0.78 0.00 0.00 0.00 179.25 179.90 3iub h GLY 138 N 0.30 0.24 0.97 0.00 0.00 -1.12 -1.11 103.07 102.34 3iub h GLY 138 Ca 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3iub h GLY 138 CO -0.40 0.11 0.18 -2.08 0.00 0.00 0.00 176.54 174.35 3iub h VAL 139 N 0.14 1.11 -0.09 4.60 2.07 -1.03 -1.91 116.25 121.13 3iub h VAL 139 Ca 0.05 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 3iub h VAL 139 Cb 0.10 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3iub h VAL 139 CO -0.01 0.11 -0.52 -0.07 0.02 0.00 0.00 177.57 177.10 3iub h LEU 140 N 0.37 0.28 -0.00 2.57 3.38 -0.70 0.02 115.31 121.23 3iub h LEU 140 Ca 0.11 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3iub h LEU 140 Cb 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3iub h LEU 140 CO -0.02 0.76 0.00 0.74 0.09 0.00 0.00 178.44 180.01 3iub h THR 141 N 0.20 1.13 -0.72 0.22 2.02 -1.03 0.06 112.91 114.79 3iub h THR 141 Ca 0.01 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3iub h THR 141 Cb 0.99 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 3iub h THR 141 CO 0.08 0.10 0.31 0.58 0.37 0.00 0.00 175.52 176.97 3iub h VAL 142 N -0.16 1.24 -0.53 3.16 2.07 -1.17 -2.03 116.25 118.84 3iub h VAL 142 Ca 0.00 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 3iub h VAL 142 Cb 0.17 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3iub h VAL 142 CO -0.00 0.30 0.12 0.58 0.02 0.00 0.00 177.57 178.59 3iub h VAL 143 N 1.02 1.25 -0.29 2.57 2.07 -0.90 0.11 116.25 122.08 3iub h VAL 143 Ca 0.24 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3iub h VAL 143 Cb 0.17 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3iub h VAL 143 CO -0.02 0.32 0.07 0.25 0.02 0.00 0.00 177.57 178.20 3iub h LEU 144 N 0.75 0.04 -0.39 2.57 5.85 -0.82 -0.36 115.31 122.94 3iub h LEU 144 Ca 0.16 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3iub h LEU 144 Cb 0.35 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3iub h LEU 144 CO 0.00 0.06 0.25 0.11 -0.34 0.00 0.00 178.44 178.52 3iub h LYS 145 N 0.18 0.50 -0.88 1.25 1.57 -1.02 -1.25 116.57 116.90 3iub h LYS 145 Ca 0.13 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3iub h LYS 145 Cb 0.13 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3iub h LYS 145 CO -0.16 0.33 0.47 -0.07 -0.57 0.00 0.00 179.45 179.45 3iub h LEU 146 N 0.51 1.12 -1.17 2.94 3.38 -0.65 -0.14 115.31 121.30 3iub h LEU 146 Ca 0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3iub h LEU 146 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3iub h LEU 146 CO -0.04 0.90 0.26 -0.07 0.09 0.00 0.00 178.44 179.58 3iub h LEU 147 N 1.24 0.76 -0.11 1.67 3.38 -0.68 -0.41 115.31 121.16 3iub h LEU 147 Ca 0.31 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.96 3iub h LEU 147 Cb 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3iub h LEU 147 CO -0.05 0.66 -1.01 1.56 0.09 0.00 0.00 178.44 179.70 3iub h GLN 148 N 0.83 0.41 -0.06 1.13 1.08 -0.50 0.53 115.11 118.53 3iub h GLN 148 Ca 0.20 -0.48 -0.22 0.00 -1.45 0.00 0.00 58.65 56.71 3iub h GLN 148 Cb 0.12 0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3iub h GLN 148 CO -0.02 1.14 -0.83 -0.84 -0.95 0.00 0.00 178.83 177.33 3iub h ILE 149 N 0.21 1.31 0.03 2.54 3.07 -0.79 -3.34 117.51 120.54 3iub h ILE 149 Ca -0.10 -2.08 -0.27 0.00 1.55 0.00 0.00 64.86 63.96 3iub h ILE 149 Cb 1.66 2.27 -0.03 0.00 -0.27 0.00 0.00 36.82 40.44 3iub h ILE 149 CO 0.17 0.64 -1.48 0.58 -1.05 0.00 0.00 178.15 177.02 3iub h VAL 150 N 0.33 1.15 -6.36 0.16 2.07 -1.17 -3.33 116.25 109.10 3iub h VAL 150 Ca -0.09 -2.91 -0.46 0.00 0.82 0.00 0.00 66.70 64.06 3iub h VAL 150 Cb 1.48 2.62 0.06 0.00 -1.52 0.00 0.00 31.29 33.93 3iub h VAL 150 CO 0.17 0.72 -0.95 0.54 0.02 0.00 0.00 177.57 178.06 3iub n ARG 151 N -3.24 -1.25 -1.87 1.57 1.74 0.18 -4.78 116.66 109.00 3iub n ARG 151 Ca -0.13 0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 57.03 3iub n ARG 151 Cb 1.02 -3.91 0.02 0.00 -1.02 0.00 0.00 32.46 28.56 3iub n ARG 151 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iub s PRO 152 N -6.25 3.36 0.14 5.56 0.04 -1.26 -4.89 135.00 131.69 3iub s PRO 152 Ca 0.44 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 3iub s PRO 152 Cb -0.17 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3iub s PRO 152 CO 0.88 -0.76 1.33 -0.44 0.04 0.00 0.00 177.00 178.05 3iub h ASP 153 N -0.15 0.50 -4.81 6.66 3.32 -0.80 -3.43 116.42 117.71 3iub h ASP 153 Ca -0.45 -0.39 -0.17 0.00 0.02 0.00 0.00 57.03 56.04 3iub h ASP 153 Cb 1.20 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 3iub h ASP 153 CO 0.59 1.18 -0.67 -0.13 -1.72 0.00 0.00 179.24 178.50 3iub s ARG 154 N -3.31 0.30 -0.02 3.56 0.52 -1.21 -1.79 118.95 116.99 3iub s ARG 154 Ca -0.05 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 3iub s ARG 154 Cb 0.09 0.11 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 3iub s ARG 154 CO 0.86 -0.05 -0.16 0.54 0.02 0.00 0.00 175.30 176.50 3iub s VAL 155 N -1.25 1.31 -0.12 3.52 0.11 -0.25 -1.15 120.40 122.56 3iub s VAL 155 Ca -0.14 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 3iub s VAL 155 Cb -0.08 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 3iub s VAL 155 CO -0.00 0.37 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.64 3iub s PHE 156 N -0.26 2.78 0.06 1.54 0.40 -0.33 -0.77 117.98 121.41 3iub s PHE 156 Ca 0.04 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.76 3iub s PHE 156 Cb -0.08 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 3iub s PHE 156 CO 0.00 -0.20 -0.11 -0.06 0.70 0.00 0.00 175.22 175.55 3iub s PHE 157 N 0.28 0.97 0.52 0.36 0.08 -0.27 -4.25 117.98 115.67 3iub s PHE 157 Ca -0.10 -0.49 -0.17 0.00 0.12 0.00 0.00 56.93 56.28 3iub s PHE 157 Cb -0.16 -0.56 -0.07 0.00 -0.57 0.00 0.00 43.02 41.66 3iub s PHE 157 CO 0.06 -0.01 1.00 0.20 -0.10 0.00 0.00 175.22 176.37 3iub s GLY 158 N -1.73 2.17 0.03 4.36 0.00 -1.26 -0.66 107.32 110.23 3iub s GLY 158 Ca -0.05 0.31 0.24 0.00 0.00 0.00 0.00 44.72 45.23 3iub s GLY 158 CO 0.01 0.60 1.78 1.18 0.00 0.00 0.00 173.10 176.67 3iub n GLU 159 N -1.50 0.03 -0.16 2.90 1.02 -0.10 -3.79 120.64 119.05 3iub n GLU 159 Ca 0.07 0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 57.24 3iub n GLU 159 Cb 0.54 -1.54 0.01 0.00 -0.02 0.00 0.00 31.44 30.43 3iub n GLU 159 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3iub h LYS 160 N 0.00 0.63 -4.06 3.49 3.64 -1.92 -2.89 116.57 115.46 3iub h LYS 160 Ca 0.00 -0.05 -0.76 0.00 -1.27 0.00 0.00 60.65 58.57 3iub h LYS 160 Cb 0.44 -0.13 -0.18 0.00 -0.41 0.00 0.00 32.23 31.95 3iub h LYS 160 CO 0.00 0.46 1.49 -0.25 -2.27 0.00 0.00 179.45 178.88 3iub n ASP 161 N -4.72 5.29 -0.10 4.20 8.00 -1.25 -4.72 116.55 123.25 3iub n ASP 161 Ca 0.02 -3.06 -0.12 0.00 0.71 0.00 0.00 54.79 52.33 3iub n ASP 161 Cb 0.05 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 39.61 3iub n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3iub h TYR 162 N 6.45 0.74 -0.65 1.24 3.20 -1.77 -1.35 116.97 124.83 3iub h TYR 162 Ca 0.33 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3iub h TYR 162 Cb 0.76 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 3iub h TYR 162 CO 1.12 0.87 0.42 0.37 -1.64 0.00 0.00 178.16 179.30 3iub h GLN 163 N 0.39 0.86 -0.43 1.82 4.15 -1.89 -0.21 115.11 119.80 3iub h GLN 163 Ca 0.07 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.51 3iub h GLN 163 Cb 0.68 -0.19 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 3iub h GLN 163 CO 0.05 0.58 -0.10 0.37 -1.93 0.00 0.00 178.83 177.80 3iub h GLN 164 N 0.87 0.01 -0.68 1.69 4.15 -1.91 -0.47 115.11 118.78 3iub h GLN 164 Ca 0.24 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.67 3iub h GLN 164 Cb -0.08 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 3iub h GLN 164 CO -0.05 0.01 0.44 1.25 -1.93 0.00 0.00 178.83 178.55 3iub h LEU 165 N 0.01 0.75 -0.56 -2.39 5.85 -0.36 0.15 115.31 118.76 3iub h LEU 165 Ca 0.21 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3iub h LEU 165 Cb 0.32 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3iub h LEU 165 CO -0.44 0.54 0.06 0.58 -0.34 0.00 0.00 178.44 178.84 3iub h VAL 166 N 0.89 1.26 -0.48 1.05 2.07 -0.69 -0.85 116.25 119.49 3iub h VAL 166 Ca 0.26 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3iub h VAL 166 Cb -0.06 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3iub h VAL 166 CO -0.07 0.37 0.04 -0.07 0.02 0.00 0.00 177.57 177.86 3iub h LEU 167 N 0.84 0.73 -0.94 2.57 3.38 -0.60 -0.16 115.31 121.14 3iub h LEU 167 Ca 0.17 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3iub h LEU 167 Cb 0.46 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3iub h LEU 167 CO 0.02 0.77 -0.39 0.40 0.09 0.00 0.00 178.44 179.32 3iub h ILE 168 N 0.73 1.30 -0.40 1.22 2.04 -0.57 0.99 117.51 122.82 3iub h ILE 168 Ca 0.15 -1.49 -0.10 0.00 1.00 0.00 0.00 64.86 64.42 3iub h ILE 168 Cb 0.38 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3iub h ILE 168 CO 0.01 0.45 -0.16 0.03 0.00 0.00 0.00 178.15 178.48 3iub h ARG 169 N 0.23 0.74 -0.41 2.37 3.08 -0.63 -1.43 114.38 118.33 3iub h ARG 169 Ca 0.02 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 3iub h ARG 169 Cb 0.80 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 3iub h ARG 169 CO 0.06 0.86 0.11 1.96 -1.07 0.00 0.00 179.97 181.90 3iub h GLN 170 N 0.66 0.66 -0.37 0.04 4.20 -0.43 -1.40 115.11 118.46 3iub h GLN 170 Ca 0.10 -0.15 0.08 0.00 0.06 0.00 0.00 58.65 58.74 3iub h GLN 170 Cb 0.65 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.26 3iub h GLN 170 CO 0.05 0.66 -0.13 1.25 -0.67 0.00 0.00 178.83 179.99 3iub h LEU 171 N 0.53 -0.45 -0.48 1.46 5.85 -0.68 0.16 115.31 121.70 3iub h LEU 171 Ca 0.13 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3iub h LEU 171 Cb 0.29 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3iub h LEU 171 CO -0.00 -0.16 0.18 0.58 -0.34 0.00 0.00 178.44 178.70 3iub h VAL 172 N -0.05 1.22 -0.21 1.05 2.07 -1.14 -1.19 116.25 118.00 3iub h VAL 172 Ca 0.18 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3iub h VAL 172 Cb 0.33 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3iub h VAL 172 CO -0.41 0.26 -0.02 0.00 0.02 0.00 0.00 177.57 177.42 3iub h ALA 173 N 1.03 0.28 -0.05 1.67 0.00 -1.01 -0.65 119.26 120.53 3iub h ALA 173 Ca 0.16 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3iub h ALA 173 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3iub h ALA 173 CO -0.01 0.03 -0.56 -0.44 0.00 0.00 0.00 179.25 178.27 3iub h ASP 174 N 0.13 0.16 -0.58 0.00 3.32 -0.53 -2.85 116.42 116.06 3iub h ASP 174 Ca 0.06 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3iub h ASP 174 Cb 0.44 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3iub h ASP 174 CO 0.01 0.69 0.00 0.49 -1.72 0.00 0.00 179.24 178.71 3iub n PHE 175 N -3.89 0.78 -3.29 4.55 3.72 -0.46 -4.97 117.46 113.89 3iub n PHE 175 Ca -0.02 -0.50 -0.23 0.00 -0.05 0.00 0.00 57.45 56.64 3iub n PHE 175 Cb 0.58 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.15 3iub n PHE 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3iub n ASN 176 N 1.20 -6.05 -4.77 4.37 4.13 -0.82 -4.95 115.26 108.37 3iub n ASN 176 Ca 0.19 -0.41 -0.38 0.00 1.68 0.00 0.00 54.58 55.66 3iub n ASN 176 Cb 0.55 -4.84 -0.03 0.00 -1.54 0.00 0.00 39.78 33.92 3iub n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3iub s LEU 177 N -6.94 4.25 0.39 3.41 1.43 -0.32 -4.95 118.68 115.96 3iub s LEU 177 Ca 0.43 2.33 0.27 0.00 -1.03 0.00 0.00 54.13 56.12 3iub s LEU 177 Cb -0.19 -3.96 0.84 0.00 0.03 0.00 0.00 46.19 42.91 3iub s LEU 177 CO 0.53 -0.58 1.77 -0.78 0.23 0.00 0.00 176.35 177.52 3iub h ASP 178 N 2.83 0.00 -4.05 2.29 1.82 -1.92 -3.46 116.42 113.92 3iub h ASP 178 Ca -0.48 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 55.67 3iub h ASP 178 Cb 1.23 0.00 0.05 0.00 0.68 0.00 0.00 39.33 41.29 3iub h ASP 178 CO 0.63 0.00 0.42 0.54 -1.61 0.00 0.00 179.24 179.22 3iub s VAL 179 N -3.33 3.46 -0.16 2.25 0.11 -1.26 -5.02 120.40 116.44 3iub s VAL 179 Ca 0.06 0.96 -0.18 0.00 -2.93 0.00 0.00 61.98 59.89 3iub s VAL 179 Cb 0.08 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 3iub s VAL 179 CO 0.57 -0.15 0.46 0.00 -3.33 0.00 0.00 175.10 172.65 3iub s ALA 180 N -1.80 3.52 -0.21 1.54 0.00 -0.74 -4.99 121.76 119.08 3iub s ALA 180 Ca 0.68 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 3iub s ALA 180 Cb -0.21 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3iub s ALA 180 CO 0.25 -0.20 0.39 0.08 0.00 0.00 0.00 175.76 176.29 3iub s VAL 181 N 1.08 5.20 -0.22 0.00 1.01 -1.26 -1.09 120.40 125.11 3iub s VAL 181 Ca 0.23 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 3iub s VAL 181 Cb -0.15 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3iub s VAL 181 CO 0.09 0.25 -0.09 -0.69 0.00 0.00 0.00 175.10 174.66 3iub s VAL 182 N 1.36 2.87 -0.10 2.92 1.01 0.05 -4.96 120.40 123.54 3iub s VAL 182 Ca 0.19 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 3iub s VAL 182 Cb -0.15 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 3iub s VAL 182 CO 0.08 0.37 0.41 -0.83 0.00 0.00 0.00 175.10 175.13 3iub s GLY 183 N 1.38 2.37 -0.15 4.51 0.00 -1.26 -1.11 107.32 113.06 3iub s GLY 183 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 3iub s GLY 183 CO -0.06 0.51 -0.09 0.14 0.00 0.00 0.00 173.10 173.60 3iub s VAL 184 N 0.11 3.40 0.30 1.40 1.01 0.17 -4.90 120.40 121.88 3iub s VAL 184 Ca 0.23 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 3iub s VAL 184 Cb -0.15 -2.46 -0.14 0.00 0.00 0.00 0.00 36.38 33.63 3iub s VAL 184 CO 0.09 0.51 1.10 -2.65 0.00 0.00 0.00 175.10 174.15 3iub n PRO 185 N 3.62 1.57 -1.76 2.72 -0.02 -1.26 -0.92 135.00 138.94 3iub n PRO 185 Ca -0.18 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 3iub n PRO 185 Cb 0.52 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 3iub n PRO 185 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iub s THR 186 N -1.01 2.57 0.26 3.45 2.01 -1.26 -4.76 115.64 116.89 3iub s THR 186 Ca 0.58 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 3iub s THR 186 Cb -0.67 -3.08 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3iub s THR 186 CO 0.60 0.00 1.20 -0.69 -0.69 0.00 0.00 174.62 175.04 3iub s VAL 187 N 2.52 3.30 0.09 3.82 1.01 -1.26 -4.98 120.40 124.90 3iub s VAL 187 Ca 0.79 1.22 0.06 0.00 0.00 0.00 0.00 61.98 64.04 3iub s VAL 187 Cb -0.45 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3iub s VAL 187 CO 0.35 0.25 -0.16 -0.13 0.00 0.00 0.00 175.10 175.42 3iub s ARG 188 N -1.06 0.92 1.04 2.72 0.52 -1.26 -1.26 118.95 120.57 3iub s ARG 188 Ca 0.49 -1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 54.52 3iub s ARG 188 Cb -0.34 -0.96 0.21 0.00 0.52 0.00 0.00 34.95 34.37 3iub s ARG 188 CO 0.42 0.21 1.08 -1.21 0.02 0.00 0.00 175.30 175.83 3iub s GLU 189 N -1.96 0.13 0.43 3.54 2.02 0.25 -4.86 118.70 118.25 3iub s GLU 189 Ca 0.02 0.54 0.18 0.00 0.02 0.00 0.00 54.97 55.73 3iub s GLU 189 Cb -0.09 -1.70 1.11 0.00 0.10 0.00 0.00 34.13 33.55 3iub s GLU 189 CO 0.03 -2.94 1.87 0.00 0.02 0.00 0.00 175.26 174.24 3iub h ALA 190 N -2.05 2.23 -0.11 5.21 0.00 -2.01 -0.03 119.26 122.50 3iub h ALA 190 Ca -0.56 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3iub h ALA 190 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3iub h ALA 190 CO 0.57 -0.50 0.00 -0.40 0.00 0.00 0.00 179.25 178.92 3iub n ASP 191 N -4.49 1.75 0.00 0.00 5.68 -1.26 -4.93 116.55 113.29 3iub n ASP 191 Ca 0.18 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 3iub n ASP 191 Cb 0.68 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 3iub n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iub n GLY 192 N 1.18 1.10 3.69 6.12 0.00 -0.03 -4.87 105.19 112.38 3iub n GLY 192 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3iub n GLY 192 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iub n LEU 193 N 0.00 4.03 -4.76 0.99 7.94 -1.26 -4.60 117.00 119.35 3iub n LEU 193 Ca 0.00 0.98 -0.41 0.00 -1.11 0.00 0.00 56.01 55.47 3iub n LEU 193 Cb 0.00 -1.54 -0.01 0.00 0.53 0.00 0.00 43.42 42.40 3iub n LEU 193 CO 0.00 0.17 1.17 0.00 -1.11 0.00 0.00 177.39 177.62 3iub s ALA 194 N 2.87 3.66 0.35 1.96 0.00 -1.26 -0.58 121.76 128.76 3iub s ALA 194 Ca 0.83 1.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.99 3iub s ALA 194 Cb -0.49 -3.61 -0.11 0.00 0.00 0.00 0.00 23.12 18.92 3iub s ALA 194 CO 0.38 -0.92 1.53 -1.64 0.00 0.00 0.00 175.76 175.11 3iub s MET 195 N -0.90 4.11 -0.28 0.00 -1.94 -0.39 -4.83 119.30 115.06 3iub s MET 195 Ca 0.59 2.58 -0.25 0.00 -1.71 0.00 0.00 55.69 56.90 3iub s MET 195 Cb -0.46 -2.98 0.12 0.00 2.01 0.00 0.00 34.83 33.52 3iub s MET 195 CO 0.50 -0.57 1.02 0.45 -0.01 0.00 0.00 175.02 176.41 3iub s SER 196 N 0.08 -0.46 0.37 3.03 0.15 -1.26 -4.97 113.70 110.64 3iub s SER 196 Ca 0.56 0.89 0.26 0.00 0.70 0.00 0.00 55.95 58.37 3iub s SER 196 Cb -0.47 0.91 1.31 0.00 -1.71 0.00 0.00 66.02 66.05 3iub s SER 196 CO 0.58 -0.15 1.80 0.77 1.20 0.00 0.00 173.24 177.44 3iub h SER 197 N 4.24 0.00 1.49 5.45 4.64 -1.94 -2.25 113.55 125.17 3iub h SER 197 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3iub h SER 197 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3iub h SER 197 CO 0.10 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.09 3iub h ARG 198 N 0.00 0.00 -0.54 4.77 3.08 -1.96 -3.34 114.38 116.39 3iub h ARG 198 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3iub h ARG 198 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3iub h ARG 198 CO 0.00 0.00 0.22 -0.91 -1.07 0.00 0.00 179.97 178.21 3iub h ASN 199 N 0.00 0.71 0.45 7.04 2.35 -1.78 -1.64 115.58 122.71 3iub h ASN 199 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3iub h ASN 199 Cb 0.74 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3iub h ASN 199 CO 0.00 0.64 0.00 -2.11 -1.65 0.00 0.00 177.43 174.31 3iub n ARG 200 N -4.34 0.17 0.14 0.81 1.85 -1.25 -2.22 116.66 111.82 3iub n ARG 200 Ca 0.04 0.50 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 3iub n ARG 200 Cb 0.16 -1.90 0.34 0.00 -1.05 0.00 0.00 32.46 30.01 3iub n ARG 200 CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 3iub h TYR 201 N 0.00 0.00 -3.41 2.89 0.05 -1.54 -3.45 116.97 111.50 3iub h TYR 201 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.26 3iub h TYR 201 Cb 0.22 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.97 3iub h TYR 201 CO 0.00 0.00 0.51 -0.51 -1.05 0.00 0.00 178.16 177.11 3iub s LEU 202 N -5.04 4.44 0.98 3.88 1.43 -0.94 -5.04 118.68 118.38 3iub s LEU 202 Ca 0.09 2.07 -0.13 0.00 -1.03 0.00 0.00 54.13 55.13 3iub s LEU 202 Cb 0.10 -3.59 0.18 0.00 0.03 0.00 0.00 46.19 42.90 3iub s LEU 202 CO 0.62 -0.33 1.11 1.51 0.23 0.00 0.00 176.35 179.49 3iub s ASP 203 N 0.39 2.83 0.31 2.29 1.47 -1.26 -4.60 116.67 118.09 3iub s ASP 203 Ca 0.53 1.04 0.03 0.00 1.18 0.00 0.00 52.55 55.33 3iub s ASP 203 Cb -0.30 -1.64 0.60 0.00 -0.34 0.00 0.00 42.92 41.24 3iub s ASP 203 CO 0.33 -2.99 1.89 -0.65 0.68 0.00 0.00 175.17 174.43 3iub h PRO 204 N -1.79 0.92 -0.41 2.11 0.11 -1.98 0.33 132.00 131.29 3iub h PRO 204 Ca -0.53 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.46 3iub h PRO 204 Cb 1.33 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3iub h PRO 204 CO 0.58 0.61 0.01 0.00 -0.21 0.00 0.00 178.00 178.99 3iub h ALA 205 N 1.54 0.56 -0.54 -0.75 0.00 -1.99 -1.18 119.26 116.88 3iub h ALA 205 Ca 0.42 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3iub h ALA 205 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3iub h ALA 205 CO -0.18 0.33 0.07 1.96 0.00 0.00 0.00 179.25 181.43 3iub h GLN 206 N 0.56 0.91 -0.52 0.00 4.20 -1.72 -1.24 115.11 117.30 3iub h GLN 206 Ca 0.12 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 3iub h GLN 206 Cb 0.47 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3iub h GLN 206 CO 0.02 0.89 0.02 -0.09 -0.67 0.00 0.00 178.83 179.00 3iub h ARG 207 N 0.80 0.87 -0.30 1.46 9.65 -0.23 0.99 114.38 127.61 3iub h ARG 207 Ca 0.16 -0.24 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 3iub h ARG 207 Cb 0.43 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3iub h ARG 207 CO 0.01 0.86 0.04 0.00 2.80 0.00 0.00 179.97 183.68 3iub h ALA 208 N 1.20 0.40 -0.14 2.80 0.00 -1.06 -3.09 119.26 119.38 3iub h ALA 208 Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3iub h ALA 208 Cb 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3iub h ALA 208 CO 0.02 0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.24 3iub h ALA 209 N 0.87 1.52 0.00 0.00 0.00 -0.82 -2.98 119.26 117.85 3iub h ALA 209 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3iub h ALA 209 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3iub h ALA 209 CO 0.01 0.34 -0.03 0.00 0.00 0.00 0.00 179.25 179.57 3iub h ALA 210 N 1.66 1.34 -0.00 0.00 0.00 -0.72 -1.08 119.26 120.46 3iub h ALA 210 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iub h ALA 210 Cb 0.37 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iub h ALA 210 CO 0.02 0.03 0.01 0.28 0.00 0.00 0.00 179.25 179.60 3iub h VAL 211 N 0.00 0.25 -0.01 0.00 2.07 -1.61 -2.74 116.25 114.21 3iub h VAL 211 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3iub h VAL 211 Cb 0.09 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3iub h VAL 211 CO 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.50 3iub h ALA 212 N 1.98 1.83 0.36 1.67 0.00 -1.40 -1.63 119.26 122.08 3iub h ALA 212 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3iub h ALA 212 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iub h ALA 212 CO -0.00 0.13 -0.17 -0.07 0.00 0.00 0.00 179.25 179.13 3iub h LEU 213 N 0.02 -0.41 -0.62 0.00 4.07 -1.71 -0.14 115.31 116.52 3iub h LEU 213 Ca 0.00 -0.07 -0.13 0.00 0.08 0.00 0.00 57.88 57.76 3iub h LEU 213 Cb 0.17 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 3iub h LEU 213 CO 0.01 -0.18 -0.29 0.77 -1.08 0.00 0.00 178.44 177.67 3iub h SER 214 N -0.63 0.80 -0.77 -0.43 4.64 -1.74 -1.98 113.55 113.44 3iub h SER 214 Ca -0.05 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3iub h SER 214 Cb 0.46 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 3iub h SER 214 CO 0.08 1.04 0.36 0.00 -0.87 0.00 0.00 176.83 177.44 3iub h ALA 215 N 1.01 0.99 -0.52 5.18 0.00 -1.29 -0.64 119.26 124.00 3iub h ALA 215 Ca 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3iub h ALA 215 Cb 0.82 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3iub h ALA 215 CO 0.07 0.56 0.19 0.00 0.00 0.00 0.00 179.25 180.08 3iub h ALA 216 N 1.18 0.67 -0.21 0.00 0.00 -0.83 -0.62 119.26 119.46 3iub h ALA 216 Ca 0.26 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3iub h ALA 216 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3iub h ALA 216 CO -0.03 0.30 -0.41 -0.07 0.00 0.00 0.00 179.25 179.04 3iub h LEU 217 N 0.70 0.72 -0.77 0.00 3.38 -0.97 -1.06 115.31 117.30 3iub h LEU 217 Ca 0.17 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 3iub h LEU 217 Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3iub h LEU 217 CO -0.01 1.13 -0.18 0.00 0.09 0.00 0.00 178.44 179.47 3iub h THR 218 N 0.33 1.26 -0.36 0.22 1.03 -1.12 -0.40 112.91 113.88 3iub h THR 218 Ca 0.01 -1.26 0.00 0.00 -0.01 0.00 0.00 66.41 65.15 3iub h THR 218 Cb 1.01 1.16 -0.02 0.00 -1.07 0.00 0.00 68.15 69.24 3iub h THR 218 CO 0.09 0.42 0.24 0.00 -0.01 0.00 0.00 175.52 176.26 3iub h ALA 219 N 1.14 0.45 -0.79 0.00 0.00 -1.03 -2.56 119.26 116.48 3iub h ALA 219 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3iub h ALA 219 Cb 0.67 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3iub h ALA 219 CO 0.05 -0.09 0.51 0.00 0.00 0.00 0.00 179.25 179.72 3iub h ALA 220 N 1.13 1.03 -0.60 0.00 0.00 -0.77 0.72 119.26 120.76 3iub h ALA 220 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iub h ALA 220 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3iub h ALA 220 CO -0.03 0.33 0.39 0.00 0.00 0.00 0.00 179.25 179.94 3iub h ALA 221 N 1.32 1.56 0.03 0.00 0.00 -0.76 -1.16 119.26 120.25 3iub h ALA 221 Ca 0.31 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.91 3iub h ALA 221 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3iub h ALA 221 CO -0.11 0.40 -1.41 0.45 0.00 0.00 0.00 179.25 178.59 3iub h HIS 222 N 0.82 0.10 0.00 0.00 3.86 -1.07 -3.23 115.15 115.62 3iub h HIS 222 Ca 0.22 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3iub h HIS 222 Cb -0.09 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3iub h HIS 222 CO 0.00 1.09 -0.06 0.00 0.86 0.00 0.00 177.93 179.82 3iub h ALA 223 N 0.88 1.09 0.00 2.45 0.00 -0.42 -3.27 119.26 120.00 3iub h ALA 223 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3iub h ALA 223 Cb 1.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3iub h ALA 223 CO 0.11 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3iub h ALA 224 N 1.94 1.00 -0.13 0.00 0.00 -1.25 0.50 119.26 121.32 3iub h ALA 224 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3iub h ALA 224 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iub h ALA 224 CO 0.01 0.00 0.13 1.79 0.00 0.00 0.00 179.25 181.18 3iub h THR 225 N 0.00 0.60 -0.36 0.00 1.35 -1.78 0.11 112.91 112.82 3iub h THR 225 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3iub h THR 225 Cb 0.10 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3iub h THR 225 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3iub n ALA 226 N -2.39 2.45 0.00 6.62 0.00 0.17 -4.39 120.51 122.96 3iub n ALA 226 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3iub n ALA 226 Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3iub n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iub n GLY 227 N 1.29 1.46 0.28 0.00 0.00 -0.24 -4.49 105.19 103.48 3iub n GLY 227 Ca 0.17 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 3iub n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iub h ALA 228 N 0.00 0.81 -0.55 4.61 0.00 -1.92 -1.75 119.26 120.46 3iub h ALA 228 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3iub h ALA 228 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3iub h ALA 228 CO 0.00 0.42 -0.01 0.37 0.00 0.00 0.00 179.25 180.03 3iub h GLN 229 N 0.87 0.98 -0.91 0.00 5.75 -1.98 -1.04 115.11 118.78 3iub h GLN 229 Ca 0.21 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3iub h GLN 229 Cb 0.20 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 3iub h GLN 229 CO -0.02 0.99 0.55 0.00 -2.65 0.00 0.00 178.83 177.71 3iub h ALA 230 N 0.96 1.16 0.10 3.38 0.00 -1.71 0.94 119.26 124.08 3iub h ALA 230 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3iub h ALA 230 Cb 0.56 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3iub h ALA 230 CO 0.03 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.84 3iub h ALA 231 N 1.30 -0.13 -0.50 0.00 0.00 -1.00 -0.67 119.26 118.26 3iub h ALA 231 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3iub h ALA 231 Cb -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3iub h ALA 231 CO -0.06 -0.51 0.33 -0.07 0.00 0.00 0.00 179.25 178.93 3iub h LEU 232 N -0.26 0.57 -0.81 0.00 3.38 -0.96 -1.61 115.31 115.62 3iub h LEU 232 Ca -0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3iub h LEU 232 Cb 0.22 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3iub h LEU 232 CO 0.02 0.42 -0.11 0.44 0.09 0.00 0.00 178.44 179.30 3iub h ASP 233 N 0.67 0.76 -0.36 -0.43 3.32 -0.75 -0.00 116.42 119.64 3iub h ASP 233 Ca 0.18 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3iub h ASP 233 Cb -0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3iub h ASP 233 CO -0.04 0.90 0.16 0.00 -1.72 0.00 0.00 179.24 178.54 3iub h ALA 234 N 1.17 0.46 -0.37 3.45 0.00 -0.88 -0.25 119.26 122.84 3iub h ALA 234 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3iub h ALA 234 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3iub h ALA 234 CO 0.04 0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.47 3iub h ALA 235 N 1.01 0.49 -0.93 0.00 0.00 -0.96 -2.17 119.26 116.70 3iub h ALA 235 Ca 0.12 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3iub h ALA 235 Cb 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3iub h ALA 235 CO -0.01 0.10 0.61 -0.09 0.00 0.00 0.00 179.25 179.86 3iub h ARG 236 N 0.46 1.20 -0.79 0.00 9.65 -0.78 -1.59 114.38 122.52 3iub h ARG 236 Ca 0.12 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3iub h ARG 236 Cb 0.20 -0.27 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 3iub h ARG 236 CO -0.01 0.79 0.49 0.00 2.80 0.00 0.00 179.97 184.05 3iub h ALA 237 N 1.36 1.01 -0.26 2.80 0.00 -0.70 0.17 119.26 123.63 3iub h ALA 237 Ca 0.35 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3iub h ALA 237 Cb -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3iub h ALA 237 CO -0.09 0.46 -0.04 0.28 0.00 0.00 0.00 179.25 179.86 3iub h VAL 238 N 1.08 1.27 -0.50 0.00 2.07 -0.88 -2.52 116.25 116.77 3iub h VAL 238 Ca 0.29 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3iub h VAL 238 Cb -0.07 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3iub h VAL 238 CO -0.06 0.32 0.17 -0.07 0.02 0.00 0.00 177.57 177.95 3iub h LEU 239 N 0.25 0.67 -0.75 2.57 3.38 -1.02 -2.16 115.31 118.25 3iub h LEU 239 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iub h LEU 239 Cb 0.49 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3iub h LEU 239 CO 0.02 0.64 0.00 0.47 0.09 0.00 0.00 178.44 179.66 3iub n ASP 240 N -4.32 0.62 -0.17 -0.43 8.00 0.58 -1.95 116.55 118.88 3iub n ASP 240 Ca 0.04 0.67 0.13 0.00 0.71 0.00 0.00 54.79 56.34 3iub n ASP 240 Cb 0.18 -0.79 0.41 0.00 -0.02 0.00 0.00 41.12 40.90 3iub n ASP 240 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iub n ALA 241 N -1.76 3.06 -2.79 2.24 0.00 -0.81 -4.88 120.51 115.57 3iub n ALA 241 Ca 0.02 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.75 3iub n ALA 241 Cb 0.20 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 3iub n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iub s ALA 242 N -2.60 3.66 0.29 0.00 0.00 -0.83 -5.10 121.76 117.19 3iub s ALA 242 Ca 0.23 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.31 3iub s ALA 242 Cb 0.19 -2.02 -0.09 0.00 0.00 0.00 0.00 23.12 21.21 3iub s ALA 242 CO 0.54 0.32 0.76 -1.25 0.00 0.00 0.00 175.76 176.13 3iub s PRO 243 N -0.11 4.16 -1.46 0.00 0.04 -1.26 -4.22 135.00 132.14 3iub s PRO 243 Ca 0.09 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3iub s PRO 243 Cb -0.12 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3iub s PRO 243 CO 0.00 0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.70 3iub n GLY 244 N 0.11 0.14 3.11 0.56 0.00 -1.26 -4.87 105.19 102.98 3iub n GLY 244 Ca 0.01 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3iub n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iub s VAL 245 N -2.76 3.14 -0.53 1.61 1.01 -1.26 -4.33 120.40 117.28 3iub s VAL 245 Ca 0.00 -2.06 -0.21 0.00 0.00 0.00 0.00 61.98 59.71 3iub s VAL 245 Cb 0.00 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.28 3iub s VAL 245 CO 0.00 -0.65 0.77 0.00 0.00 0.00 0.00 175.10 175.21 3iub s ALA 246 N 1.11 3.29 -0.08 5.51 0.00 -0.42 -4.91 121.76 126.25 3iub s ALA 246 Ca 0.08 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 3iub s ALA 246 Cb -0.22 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 3iub s ALA 246 CO -0.05 -2.21 1.12 0.08 0.00 0.00 0.00 175.76 174.71 3iub s VAL 247 N 3.21 4.48 -0.08 0.00 1.01 -1.26 -0.79 120.40 126.97 3iub s VAL 247 Ca 0.21 1.78 -0.14 0.00 0.00 0.00 0.00 61.98 63.83 3iub s VAL 247 Cb -0.17 -4.14 -0.29 0.00 0.00 0.00 0.00 36.38 31.78 3iub s VAL 247 CO 0.14 -0.01 0.62 0.44 0.00 0.00 0.00 175.10 176.30 3iub h ASP 248 N 7.32 0.50 -5.03 3.32 3.32 -0.80 -3.49 116.42 121.57 3iub h ASP 248 Ca -0.32 -0.90 -0.06 0.00 0.02 0.00 0.00 57.03 55.77 3iub h ASP 248 Cb 1.15 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.39 3iub h ASP 248 CO 0.87 1.69 -0.01 -0.72 -1.72 0.00 0.00 179.24 179.36 3iub s TYR 249 N -2.52 -0.35 -0.22 4.55 -0.85 -1.17 -4.99 117.35 111.80 3iub s TYR 249 Ca -0.18 0.27 -0.04 0.00 -0.52 0.00 0.00 57.07 56.60 3iub s TYR 249 Cb 0.05 0.31 0.09 0.00 0.38 0.00 0.00 41.96 42.79 3iub s TYR 249 CO 0.81 -0.66 0.18 -1.17 -1.52 0.00 0.00 175.55 173.20 3iub s LEU 250 N -2.23 0.10 -0.04 -3.49 2.96 -1.26 -1.95 118.68 112.77 3iub s LEU 250 Ca -0.03 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3iub s LEU 250 Cb -0.00 0.11 0.02 0.00 0.50 0.00 0.00 46.19 46.82 3iub s LEU 250 CO -0.05 -0.36 -0.05 -1.61 -1.32 0.00 0.00 176.35 172.95 3iub s GLU 251 N 2.24 0.86 -0.27 1.98 0.41 -0.28 -4.98 118.70 118.65 3iub s GLU 251 Ca 0.06 -0.14 -0.10 0.00 -0.41 0.00 0.00 54.97 54.39 3iub s GLU 251 Cb -0.16 -0.84 -0.04 0.00 -1.78 0.00 0.00 34.13 31.31 3iub s GLU 251 CO -0.19 -0.05 0.15 -1.17 -0.49 0.00 0.00 175.26 173.51 3iub s LEU 252 N 0.79 3.83 0.29 1.80 2.96 -1.26 -1.18 118.68 125.91 3iub s LEU 252 Ca -0.11 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3iub s LEU 252 Cb -0.14 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 3iub s LEU 252 CO 0.00 -0.04 0.04 -0.13 -1.32 0.00 0.00 176.35 174.91 3iub s ARG 253 N 1.70 1.54 1.07 1.98 1.81 -0.08 -4.29 118.95 122.68 3iub s ARG 253 Ca 0.07 -1.83 -0.12 0.00 -1.72 0.00 0.00 55.73 52.13 3iub s ARG 253 Cb -0.16 -0.73 0.23 0.00 -0.45 0.00 0.00 34.95 33.84 3iub s ARG 253 CO 0.08 -0.17 1.07 0.34 -0.68 0.00 0.00 175.30 175.94 3iub s ASP 254 N -3.42 1.75 0.55 0.23 2.15 0.07 -0.35 116.67 117.65 3iub s ASP 254 Ca 0.35 1.67 0.28 0.00 0.43 0.00 0.00 52.55 55.28 3iub s ASP 254 Cb 0.08 -2.34 1.59 0.00 -0.30 0.00 0.00 42.92 41.94 3iub s ASP 254 CO 0.14 -3.75 2.14 0.16 -0.17 0.00 0.00 175.17 173.69 3iub h ILE 255 N -2.31 0.56 -0.43 4.11 3.07 -1.84 0.55 117.51 121.22 3iub h ILE 255 Ca -0.55 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 65.52 3iub h ILE 255 Cb 1.31 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 3iub h ILE 255 CO 0.49 0.07 0.00 0.61 -1.05 0.00 0.00 178.15 178.27 3iub n GLY 256 N -0.93 1.07 2.42 0.16 0.00 -1.26 -4.94 105.19 101.70 3iub n GLY 256 Ca -0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 3iub n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iub n LEU 257 N 0.81 0.08 0.00 0.99 4.77 0.18 -5.04 117.00 118.79 3iub n LEU 257 Ca 0.15 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 3iub n LEU 257 Cb 0.38 -1.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.02 3iub n LEU 257 CO 0.11 -0.49 0.24 0.61 -1.33 0.00 0.00 177.39 176.53 3iub n GLY 258 N -1.31 -1.58 3.73 -0.72 0.00 -1.26 -4.74 105.19 99.31 3iub n GLY 258 Ca -0.03 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3iub n GLY 258 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iub n PRO 259 N -2.02 2.56 -1.72 1.61 -0.02 -1.26 -0.75 135.00 133.41 3iub n PRO 259 Ca 0.05 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 3iub n PRO 259 Cb 0.17 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 30.97 3iub n PRO 259 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3iub s MET 260 N -0.71 4.13 0.82 -0.52 1.75 -1.26 -3.87 119.30 119.64 3iub s MET 260 Ca 0.63 2.60 -0.11 0.00 -1.25 0.00 0.00 55.69 57.56 3iub s MET 260 Cb -0.52 -3.43 0.08 0.00 2.84 0.00 0.00 34.83 33.80 3iub s MET 260 CO 0.51 -0.81 1.10 -1.25 -0.65 0.00 0.00 175.02 173.91 3iub s PRO 261 N 2.24 1.92 0.23 4.11 0.04 -1.26 -4.89 135.00 137.38 3iub s PRO 261 Ca 0.79 0.68 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 3iub s PRO 261 Cb -0.47 -1.90 0.36 0.00 0.04 0.00 0.00 34.50 32.53 3iub s PRO 261 CO 0.35 -1.74 1.74 -0.07 0.04 0.00 0.00 177.00 177.32 3iub h LEU 262 N -1.18 0.27 0.00 -3.56 3.38 -2.00 -3.43 115.31 108.79 3iub h LEU 262 Ca -0.47 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3iub h LEU 262 Cb 1.27 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 3iub h LEU 262 CO 0.58 0.14 -0.09 -0.46 0.09 0.00 0.00 178.44 178.70 3iub n ASN 263 N -4.98 0.48 0.00 -0.43 2.04 -1.26 -4.93 115.26 106.17 3iub n ASN 263 Ca 0.11 -1.44 0.00 0.00 -0.44 0.00 0.00 54.58 52.81 3iub n ASN 263 Cb 0.33 0.27 0.00 0.00 -2.53 0.00 0.00 39.78 37.85 3iub n ASN 263 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3iub n GLY 264 N 0.87 -1.74 3.86 4.83 0.00 -1.26 -4.92 105.19 106.83 3iub n GLY 264 Ca 0.00 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 3iub n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iub s SER 265 N -4.00 6.69 0.13 1.61 0.01 -1.26 -1.34 113.70 115.54 3iub s SER 265 Ca 0.00 0.87 -0.01 0.00 1.31 0.00 0.00 55.95 58.12 3iub s SER 265 Cb 0.00 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 64.03 3iub s SER 265 CO 0.00 0.15 0.20 0.61 0.41 0.00 0.00 173.24 174.61 3iub n GLY 266 N 0.87 2.63 2.86 3.44 0.00 0.97 -4.03 105.19 111.93 3iub n GLY 266 Ca -0.07 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 3iub n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iub s ARG 267 N -2.27 0.15 -0.20 1.61 6.06 0.53 -1.56 118.95 123.26 3iub s ARG 267 Ca 0.10 0.01 -0.06 0.00 -2.50 0.00 0.00 55.73 53.28 3iub s ARG 267 Cb -0.01 -0.23 -0.03 0.00 0.06 0.00 0.00 34.95 34.74 3iub s ARG 267 CO 0.07 -0.03 0.03 -1.17 -2.50 0.00 0.00 175.30 171.70 3iub s LEU 268 N 0.37 3.43 -0.00 -0.88 2.96 -0.39 -0.90 118.68 123.27 3iub s LEU 268 Ca -0.03 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 3iub s LEU 268 Cb -0.06 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3iub s LEU 268 CO -0.01 0.08 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.10 3iub s LEU 269 N 0.94 2.08 0.02 -0.68 1.02 -0.32 -0.94 118.68 120.79 3iub s LEU 269 Ca 0.02 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.72 3iub s LEU 269 Cb -0.14 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.84 3iub s LEU 269 CO 0.02 0.28 -0.05 0.54 0.02 0.00 0.00 176.35 177.16 3iub s VAL 270 N -0.62 0.37 0.00 -1.59 0.11 -0.17 -1.13 120.40 117.37 3iub s VAL 270 Ca 0.09 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 3iub s VAL 270 Cb -0.09 -0.41 -0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3iub s VAL 270 CO -0.00 -0.22 -0.02 0.00 -3.33 0.00 0.00 175.10 171.53 3iub s ALA 271 N -0.88 0.13 0.02 1.54 0.00 -0.82 -1.63 121.76 120.11 3iub s ALA 271 Ca -0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 3iub s ALA 271 Cb -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3iub s ALA 271 CO -0.00 0.01 0.30 0.00 0.00 0.00 0.00 175.76 176.06 3iub s ALA 272 N -0.22 -0.70 -0.18 0.00 0.00 -0.28 -0.01 121.76 120.37 3iub s ALA 272 Ca -0.02 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.00 3iub s ALA 272 Cb -0.02 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3iub s ALA 272 CO -0.00 -0.34 0.04 0.50 0.00 0.00 0.00 175.76 175.96 3iub s ARG 273 N -2.00 3.90 -0.26 0.00 3.52 0.03 -0.43 118.95 123.71 3iub s ARG 273 Ca -0.09 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 3iub s ARG 273 Cb -0.03 -3.15 0.07 0.00 -1.56 0.00 0.00 34.95 30.28 3iub s ARG 273 CO 0.00 0.26 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.17 3iub s LEU 274 N 0.39 3.31 0.00 -0.88 1.02 0.57 -1.30 118.68 121.80 3iub s LEU 274 Ca 0.01 -1.44 0.00 0.00 0.02 0.00 0.00 54.13 52.73 3iub s LEU 274 Cb -0.13 -1.42 0.00 0.00 0.02 0.00 0.00 46.19 44.66 3iub s LEU 274 CO 0.01 -0.24 0.00 0.61 0.02 0.00 0.00 176.35 176.75 3iub n GLY 275 N 4.49 3.97 0.99 -3.19 0.00 -1.26 -1.36 105.19 108.82 3iub n GLY 275 Ca -0.11 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3iub n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iub n THR 276 N 0.00 0.36 -3.64 2.61 -2.24 -1.26 -4.96 114.28 105.15 3iub n THR 276 Ca 0.00 -0.68 -0.36 0.00 -2.27 0.00 0.00 64.05 60.74 3iub n THR 276 Cb 0.00 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.25 3iub n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iub s THR 277 N -1.50 5.35 -0.22 4.28 2.01 -0.47 -5.07 115.64 120.03 3iub s THR 277 Ca 0.32 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.50 3iub s THR 277 Cb 0.20 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 3iub s THR 277 CO 0.28 0.37 0.17 -0.60 -0.69 0.00 0.00 174.62 174.15 3iub s ARG 278 N 0.77 4.13 0.06 4.92 3.52 -1.26 -0.31 118.95 130.78 3iub s ARG 278 Ca 0.10 -0.20 0.08 0.00 -0.13 0.00 0.00 55.73 55.57 3iub s ARG 278 Cb -0.13 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3iub s ARG 278 CO 0.03 0.15 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.97 3iub s LEU 279 N 0.79 2.63 0.11 -0.88 1.43 0.43 -4.99 118.68 118.20 3iub s LEU 279 Ca 0.09 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.80 3iub s LEU 279 Cb -0.13 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3iub s LEU 279 CO 0.02 0.23 -0.18 -0.76 0.23 0.00 0.00 176.35 175.90 3iub s LEU 280 N -1.62 2.33 0.15 1.79 1.43 -1.26 -1.12 118.68 120.38 3iub s LEU 280 Ca 0.15 -0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 52.36 3iub s LEU 280 Cb -0.10 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.40 3iub s LEU 280 CO 0.06 -0.01 0.47 -0.62 0.23 0.00 0.00 176.35 176.49 3iub s ASP 281 N -2.08 -0.30 0.16 2.29 -1.08 -0.65 -4.86 116.67 110.15 3iub s ASP 281 Ca 0.07 -0.31 -0.21 0.00 -0.52 0.00 0.00 52.55 51.58 3iub s ASP 281 Cb -0.09 0.53 0.06 0.00 -1.46 0.00 0.00 42.92 41.96 3iub s ASP 281 CO 0.04 -0.93 0.55 0.54 0.52 0.00 0.00 175.17 175.89 3iub s ASN 282 N -2.82 -0.45 -0.02 -0.34 2.20 -1.26 -1.00 114.94 111.25 3iub s ASN 282 Ca 0.05 -0.14 -0.18 0.00 -0.94 0.00 0.00 52.86 51.65 3iub s ASN 282 Cb 0.00 0.58 0.03 0.00 -2.00 0.00 0.00 41.25 39.86 3iub s ASN 282 CO -0.09 -0.97 0.38 -0.51 -2.94 0.00 0.00 177.10 172.96 3iub s ILE 283 N -3.78 0.05 0.35 0.54 2.07 -0.12 -4.98 121.20 115.32 3iub s ILE 283 Ca 0.03 -0.40 -0.28 0.00 -1.41 0.00 0.00 60.65 58.58 3iub s ILE 283 Cb -0.01 -0.70 -0.10 0.00 0.13 0.00 0.00 42.46 41.78 3iub s ILE 283 CO -0.11 -0.22 1.36 0.00 -1.91 0.00 0.00 174.94 174.06 3iub s ALA 284 N -1.37 3.51 -0.03 1.50 0.00 -1.26 -1.27 121.76 122.84 3iub s ALA 284 Ca -0.13 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.21 3iub s ALA 284 Cb -0.04 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3iub s ALA 284 CO 0.05 -0.76 -0.10 0.42 0.00 0.00 0.00 175.76 175.37 3iub s ILE 285 N -1.14 0.86 -0.16 0.00 -1.09 -0.60 -4.79 121.20 114.29 3iub s ILE 285 Ca 0.50 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.55 3iub s ILE 285 Cb -0.42 -0.78 0.02 0.00 -1.58 0.00 0.00 42.46 39.70 3iub s ILE 285 CO 0.56 0.27 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.73 3iub s GLU 286 N 0.31 2.90 -0.35 2.79 0.41 -1.26 -0.02 118.70 123.48 3iub s GLU 286 Ca -0.05 -0.80 -0.27 0.00 -0.41 0.00 0.00 54.97 53.44 3iub s GLU 286 Cb -0.10 -2.45 0.01 0.00 -1.78 0.00 0.00 34.13 29.81 3iub s GLU 286 CO 0.01 -0.14 0.97 0.42 -0.49 0.00 0.00 175.26 176.03 3iub s ILE 287 N 1.13 4.57 0.00 -1.63 -1.09 -0.45 -4.56 121.20 119.17 3iub s ILE 287 Ca 0.00 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 3iub s ILE 287 Cb -0.14 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 3iub s ILE 287 CO -0.09 -0.49 0.00 0.61 -1.23 0.00 0.00 174.94 173.74