#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isa s LEU 8 N 0.00 4.09 0.08 2.46 1.43 -1.26 -4.96 118.68 120.52 3isa s LEU 8 Ca 0.00 2.38 0.26 0.00 -1.03 0.00 0.00 54.13 55.73 3isa s LEU 8 Cb 0.00 -4.13 1.01 0.00 0.03 0.00 0.00 46.19 43.10 3isa s LEU 8 CO 0.00 -0.85 1.80 -0.81 0.23 0.00 0.00 176.35 176.72 3isa n PRO 9 N -0.25 0.09 -4.49 1.29 -0.04 -1.26 -4.77 135.00 125.57 3isa n PRO 9 Ca 0.06 0.13 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 3isa n PRO 9 Cb 0.47 -1.62 -0.16 0.00 -0.04 0.00 0.00 33.50 32.15 3isa n PRO 9 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3isa s LEU 10 N -3.56 1.80 -0.16 1.53 2.96 -1.26 0.07 118.68 120.07 3isa s LEU 10 Ca 0.11 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 3isa s LEU 10 Cb 0.15 -0.65 -0.02 0.00 0.50 0.00 0.00 46.19 46.16 3isa s LEU 10 CO 0.50 0.08 -0.06 0.00 -1.32 0.00 0.00 176.35 175.55 3isa s ALA 11 N 0.19 2.90 -0.22 5.97 0.00 -0.49 -4.93 121.76 125.17 3isa s ALA 11 Ca -0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 3isa s ALA 11 Cb -0.10 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.54 3isa s ALA 11 CO 0.01 0.15 -0.13 0.42 0.00 0.00 0.00 175.76 176.21 3isa s ILE 12 N 0.49 2.51 -0.25 0.00 1.01 -1.26 -0.05 121.20 123.64 3isa s ILE 12 Ca -0.05 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 3isa s ILE 12 Cb -0.15 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3isa s ILE 12 CO 0.03 0.36 0.18 -0.70 0.00 0.00 0.00 174.94 174.81 3isa s GLU 13 N 1.31 4.03 -0.34 2.79 2.12 -0.50 -4.96 118.70 123.15 3isa s GLU 13 Ca 0.02 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 3isa s GLU 13 Cb -0.15 -3.58 0.03 0.00 0.26 0.00 0.00 34.13 30.68 3isa s GLU 13 CO -0.08 -0.03 0.14 1.03 -0.54 0.00 0.00 175.26 175.78 3isa s ARG 14 N 1.33 2.82 0.32 4.30 0.52 -1.26 -1.14 118.95 125.84 3isa s ARG 14 Ca 0.08 -1.06 0.08 0.00 -0.52 0.00 0.00 55.73 54.31 3isa s ARG 14 Cb -0.14 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.74 3isa s ARG 14 CO 0.07 -0.63 0.19 1.03 0.02 0.00 0.00 175.30 175.99 3isa s ARG 15 N 1.49 2.56 0.23 3.54 0.52 -0.09 -5.03 118.95 122.17 3isa s ARG 15 Ca 0.01 -1.39 -0.07 0.00 -0.52 0.00 0.00 55.73 53.75 3isa s ARG 15 Cb -0.19 -2.33 0.25 0.00 0.52 0.00 0.00 34.95 33.20 3isa s ARG 15 CO 0.04 0.15 1.89 -1.35 0.02 0.00 0.00 175.30 176.06 3isa h PRO 16 N 1.45 1.09 0.00 3.54 0.11 -2.02 -3.14 132.00 133.03 3isa h PRO 16 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3isa h PRO 16 Cb 1.25 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3isa h PRO 16 CO 0.61 0.72 -1.00 0.00 -0.21 0.00 0.00 178.00 178.13 3isa n ALA 17 N -2.35 3.10 -3.27 -0.75 0.00 -1.26 -4.67 120.51 111.31 3isa n ALA 17 Ca 0.11 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 3isa n ALA 17 Cb 0.07 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 3isa n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isa s ALA 18 N -3.24 -0.87 -0.11 0.00 0.00 -1.19 -1.79 121.76 114.56 3isa s ALA 18 Ca 0.03 1.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.00 3isa s ALA 18 Cb 0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3isa s ALA 18 CO 0.79 -0.17 -0.07 -1.58 0.00 0.00 0.00 175.76 174.73 3isa s TRP 19 N 0.27 2.94 -0.23 0.00 0.52 -0.46 -0.91 118.94 121.07 3isa s TRP 19 Ca -0.01 -0.22 -0.04 0.00 0.02 0.00 0.00 56.10 55.86 3isa s TRP 19 Cb -0.03 -1.83 -0.00 0.00 -1.15 0.00 0.00 33.47 30.46 3isa s TRP 19 CO -0.00 0.09 -0.04 0.99 0.02 0.00 0.00 176.95 178.01 3isa s THR 20 N -0.16 3.31 -0.41 2.01 2.01 -0.30 -0.20 115.64 121.90 3isa s THR 20 Ca 0.02 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.25 3isa s THR 20 Cb -0.13 -2.55 0.02 0.00 0.01 0.00 0.00 72.50 69.85 3isa s THR 20 CO 0.03 0.36 0.35 -0.36 -0.69 0.00 0.00 174.62 174.31 3isa s PHE 21 N 1.45 3.21 -0.37 4.92 0.08 0.17 -1.41 117.98 126.04 3isa s PHE 21 Ca 0.05 -0.46 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 3isa s PHE 21 Cb -0.15 -2.71 0.03 0.00 -0.57 0.00 0.00 43.02 39.63 3isa s PHE 21 CO -0.03 -0.62 0.18 0.99 -0.10 0.00 0.00 175.22 175.64 3isa s THR 22 N 1.88 4.37 0.03 0.64 2.01 0.92 -1.61 115.64 123.88 3isa s THR 22 Ca 0.08 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 3isa s THR 22 Cb -0.18 -3.46 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 3isa s THR 22 CO 0.12 -0.24 1.98 0.18 -0.69 0.00 0.00 174.62 175.97 3isa n LEU 23 N 4.95 4.14 -2.97 4.42 4.32 0.41 -1.40 117.00 130.86 3isa n LEU 23 Ca -0.12 0.88 -0.26 0.00 -0.02 0.00 0.00 56.01 56.50 3isa n LEU 23 Cb 0.46 -1.52 -0.04 0.00 -1.62 0.00 0.00 43.42 40.69 3isa n LEU 23 CO 0.35 0.17 0.10 -1.20 -1.22 0.00 0.00 177.39 175.60 3isa n SER 24 N 7.65 4.05 -3.16 -1.43 7.64 0.11 -0.53 113.62 127.95 3isa n SER 24 Ca 0.20 -3.61 -0.23 0.00 1.01 0.00 0.00 58.87 56.24 3isa n SER 24 Cb 0.41 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 62.99 3isa n SER 24 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3isa n ARG 25 N -0.18 1.84 0.17 1.43 1.74 -1.26 -4.42 116.66 115.97 3isa n ARG 25 Ca 0.30 -3.99 0.13 0.00 -0.77 0.00 0.00 57.85 53.52 3isa n ARG 25 Cb 0.42 -1.85 0.50 0.00 -1.02 0.00 0.00 32.46 30.51 3isa n ARG 25 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3isa h PRO 26 N 3.40 0.00 -0.00 5.56 0.13 -1.87 -0.52 132.00 138.69 3isa h PRO 26 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3isa h PRO 26 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3isa h PRO 26 CO 0.64 0.00 -0.21 0.39 -0.23 0.00 0.00 178.00 178.59 3isa n GLU 27 N -2.53 0.55 -0.49 0.86 -0.58 -1.26 -3.90 120.64 113.29 3isa n GLU 27 Ca 0.03 -0.25 0.07 0.00 -0.42 0.00 0.00 57.16 56.59 3isa n GLU 27 Cb 0.31 -1.49 0.17 0.00 -0.57 0.00 0.00 31.44 29.85 3isa n GLU 27 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3isa n LYS 28 N -1.01 1.32 -2.10 3.49 4.76 -0.44 -4.98 118.16 119.19 3isa n LYS 28 Ca 0.12 -2.89 -0.16 0.00 -2.87 0.00 0.00 58.31 52.50 3isa n LYS 28 Cb 0.31 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 3isa n LYS 28 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3isa n ARG 29 N -1.07 -1.77 -3.86 1.97 1.74 -1.09 -1.80 116.66 110.78 3isa n ARG 29 Ca 0.16 0.85 -0.29 0.00 -0.77 0.00 0.00 57.85 57.80 3isa n ARG 29 Cb 0.71 -5.37 0.04 0.00 -1.02 0.00 0.00 32.46 26.81 3isa n ARG 29 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3isa n ASN 30 N -1.55 -5.15 -4.78 0.55 3.02 -0.34 -1.13 115.26 105.88 3isa n ASN 30 Ca -0.18 -0.73 -0.36 0.00 -0.03 0.00 0.00 54.58 53.27 3isa n ASN 30 Cb 0.61 -4.10 -0.02 0.00 -0.61 0.00 0.00 39.78 35.66 3isa n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3isa s ALA 31 N -3.30 3.00 -0.92 5.41 0.00 -0.75 -3.93 121.76 121.28 3isa s ALA 31 Ca 0.66 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 3isa s ALA 31 Cb -0.32 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.57 3isa s ALA 31 CO 0.81 -0.45 1.20 -0.51 0.00 0.00 0.00 175.76 176.81 3isa s LEU 32 N -2.92 4.50 0.84 0.00 1.43 0.16 -4.73 118.68 117.96 3isa s LEU 32 Ca 0.62 -1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 51.89 3isa s LEU 32 Cb -0.25 -2.45 0.10 0.00 0.03 0.00 0.00 46.19 43.62 3isa s LEU 32 CO 0.30 -1.25 1.09 -0.94 0.23 0.00 0.00 176.35 175.78 3isa s SER 33 N 4.01 3.92 0.25 2.29 1.04 -1.26 -1.82 113.70 122.13 3isa s SER 33 Ca 0.35 1.64 -0.04 0.00 0.48 0.00 0.00 55.95 58.38 3isa s SER 33 Cb -0.05 -2.32 0.37 0.00 0.10 0.00 0.00 66.02 64.11 3isa s SER 33 CO -0.07 -2.38 1.86 0.00 0.98 0.00 0.00 173.24 173.64 3isa h ALA 34 N -1.37 1.27 -0.29 5.32 0.00 -1.94 -1.64 119.26 120.60 3isa h ALA 34 Ca -0.47 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3isa h ALA 34 Cb 1.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3isa h ALA 34 CO 0.53 0.33 0.09 1.49 0.00 0.00 0.00 179.25 181.69 3isa h GLU 35 N 1.04 0.20 -0.54 0.00 4.81 -1.99 -1.14 114.58 116.96 3isa h GLU 35 Ca 0.40 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 3isa h GLU 35 Cb 0.18 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3isa h GLU 35 CO -0.18 0.13 0.24 1.25 -0.73 0.00 0.00 179.01 179.73 3isa h LEU 36 N 0.21 0.72 -0.51 1.64 5.85 -1.82 -1.04 115.31 120.35 3isa h LEU 36 Ca 0.13 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3isa h LEU 36 Cb 0.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3isa h LEU 36 CO -0.15 0.67 0.28 0.58 -0.34 0.00 0.00 178.44 179.48 3isa h VAL 37 N 0.73 1.18 -0.64 1.05 2.07 -1.09 -0.61 116.25 118.94 3isa h VAL 37 Ca 0.18 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3isa h VAL 37 Cb 0.15 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3isa h VAL 37 CO -0.02 0.19 0.08 -0.33 0.02 0.00 0.00 177.57 177.51 3isa h GLU 38 N 0.68 1.06 -0.45 1.57 4.39 -1.09 -0.64 114.58 120.09 3isa h GLU 38 Ca 0.18 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.62 3isa h GLU 38 Cb 0.06 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 3isa h GLU 38 CO -0.03 0.99 0.25 0.00 -1.16 0.00 0.00 179.01 179.06 3isa h ALA 39 N 1.09 0.57 -0.10 3.43 0.00 -0.91 -0.48 119.26 122.87 3isa h ALA 39 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3isa h ALA 39 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3isa h ALA 39 CO 0.02 -0.08 0.06 -0.07 0.00 0.00 0.00 179.25 179.17 3isa h LEU 40 N 0.50 0.12 -0.31 0.00 3.38 -0.86 -0.34 115.31 117.79 3isa h LEU 40 Ca 0.19 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3isa h LEU 40 Cb 0.06 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3isa h LEU 40 CO -0.11 0.16 -0.01 0.40 0.09 0.00 0.00 178.44 178.97 3isa h ILE 41 N 0.07 0.76 -0.47 1.22 2.04 -0.93 0.25 117.51 120.46 3isa h ILE 41 Ca 0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3isa h ILE 41 Cb 0.06 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3isa h ILE 41 CO -0.01 0.02 0.29 0.44 0.00 0.00 0.00 178.15 178.89 3isa h ASP 42 N 0.08 0.55 -0.58 1.72 3.32 -0.93 0.94 116.42 121.52 3isa h ASP 42 Ca 0.15 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3isa h ASP 42 Cb 0.21 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3isa h ASP 42 CO -0.26 0.42 0.20 1.23 -1.72 0.00 0.00 179.24 179.11 3isa h GLY 43 N 0.62 0.95 1.01 2.75 0.00 -0.77 -0.66 103.07 106.97 3isa h GLY 43 Ca 0.17 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 3isa h GLY 43 CO -0.03 0.51 -0.44 -2.08 0.00 0.00 0.00 176.54 174.50 3isa h VAL 44 N 0.81 1.31 -0.75 4.60 2.07 -0.72 -1.53 116.25 122.04 3isa h VAL 44 Ca 0.19 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 66.08 3isa h VAL 44 Cb 0.25 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3isa h VAL 44 CO -0.01 0.52 0.48 0.44 0.02 0.00 0.00 177.57 179.02 3isa h ASP 45 N 0.43 0.80 -0.14 0.57 3.32 -0.72 -0.33 116.42 120.35 3isa h ASP 45 Ca 0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3isa h ASP 45 Cb 1.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3isa h ASP 45 CO 0.10 0.56 0.08 0.00 -1.72 0.00 0.00 179.24 178.26 3isa h ALA 46 N 1.31 0.18 -0.92 3.45 0.00 -0.98 -1.74 119.26 120.56 3isa h ALA 46 Ca 0.29 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3isa h ALA 46 Cb -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 3isa h ALA 46 CO -0.10 -0.29 0.58 0.00 0.00 0.00 0.00 179.25 179.44 3isa h ALA 47 N 0.99 1.27 -0.26 0.00 0.00 -1.02 -1.72 119.26 118.52 3isa h ALA 47 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3isa h ALA 47 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3isa h ALA 47 CO -0.01 0.34 0.17 1.25 0.00 0.00 0.00 179.25 180.99 3isa h HIS 48 N 1.05 0.33 -0.73 0.00 6.17 -0.79 -0.62 115.15 120.56 3isa h HIS 48 Ca 0.40 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.49 3isa h HIS 48 Cb 0.18 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 29.97 3isa h HIS 48 CO -0.02 0.22 0.47 0.00 0.71 0.00 0.00 177.93 179.31 3isa h ARG 49 N 0.34 0.96 0.00 5.26 3.08 -0.77 -2.20 114.38 121.05 3isa h ARG 49 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3isa h ARG 49 Cb -0.02 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.81 3isa h ARG 49 CO -0.02 0.65 0.00 0.39 -1.07 0.00 0.00 179.97 179.92 3isa n GLU 50 N -4.42 0.05 -3.73 0.04 -0.58 -0.70 -4.95 120.64 106.35 3isa n GLU 50 Ca 0.08 0.06 -0.25 0.00 -0.42 0.00 0.00 57.16 56.63 3isa n GLU 50 Cb 0.04 -1.56 0.05 0.00 -0.57 0.00 0.00 31.44 29.40 3isa n GLU 50 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3isa n GLN 51 N -1.64 -5.94 -1.74 3.49 6.02 -0.28 -4.93 117.38 112.37 3isa n GLN 51 Ca 0.07 0.68 -0.42 0.00 -0.01 0.00 0.00 57.00 57.31 3isa n GLN 51 Cb 0.34 -5.51 -0.03 0.00 1.02 0.00 0.00 30.24 26.06 3isa n GLN 51 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3isa s VAL 52 N -3.43 2.23 0.24 5.09 1.01 -0.97 -4.92 120.40 119.65 3isa s VAL 52 Ca 0.37 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 3isa s VAL 52 Cb -0.18 -3.04 0.21 0.00 0.00 0.00 0.00 36.38 33.38 3isa s VAL 52 CO 0.79 0.00 1.86 -0.65 0.00 0.00 0.00 175.10 177.11 3isa h PRO 53 N 7.39 1.25 -4.41 2.72 0.11 -1.83 -3.40 132.00 133.82 3isa h PRO 53 Ca -0.44 -0.14 -0.45 0.00 0.11 0.00 0.00 66.00 65.07 3isa h PRO 53 Cb 1.21 -0.25 -0.33 0.00 0.11 0.00 0.00 31.00 31.74 3isa h PRO 53 CO 0.95 0.91 -0.79 -1.17 -0.21 0.00 0.00 178.00 177.69 3isa s LEU 54 N -9.91 1.60 -0.15 2.35 2.96 -0.74 -0.41 118.68 114.39 3isa s LEU 54 Ca -0.13 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 3isa s LEU 54 Cb 0.17 -0.62 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 3isa s LEU 54 CO 0.83 0.02 -0.06 -0.76 -1.32 0.00 0.00 176.35 175.06 3isa s LEU 55 N 0.57 3.14 -0.09 -0.68 1.43 -0.06 -1.35 118.68 121.64 3isa s LEU 55 Ca -0.10 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3isa s LEU 55 Cb -0.13 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3isa s LEU 55 CO 0.02 0.17 -0.16 -0.69 0.23 0.00 0.00 176.35 175.92 3isa s VAL 56 N 0.35 2.88 -0.10 -1.59 1.01 0.72 -0.97 120.40 122.70 3isa s VAL 56 Ca -0.06 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3isa s VAL 56 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3isa s VAL 56 CO 0.04 0.56 -0.23 -0.36 0.00 0.00 0.00 175.10 175.10 3isa s PHE 57 N -0.12 2.48 0.17 5.22 0.08 0.44 0.46 117.98 126.72 3isa s PHE 57 Ca -0.02 -1.01 -0.12 0.00 0.12 0.00 0.00 56.93 55.90 3isa s PHE 57 Cb -0.14 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3isa s PHE 57 CO 0.04 -0.41 0.36 0.00 -0.10 0.00 0.00 175.22 175.11 3isa s ALA 58 N 0.35 -0.30 -0.05 5.36 0.00 -0.64 -1.48 121.76 125.01 3isa s ALA 58 Ca -0.18 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3isa s ALA 58 Cb -0.18 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.79 3isa s ALA 58 CO 0.09 -0.70 -0.19 0.20 0.00 0.00 0.00 175.76 175.16 3isa s GLY 59 N -2.94 1.02 0.54 0.00 0.00 -1.26 -0.44 107.32 104.24 3isa s GLY 59 Ca 0.15 -0.78 -0.19 0.00 0.00 0.00 0.00 44.72 43.89 3isa s GLY 59 CO -0.01 -0.41 1.12 0.00 0.00 0.00 0.00 173.10 173.79 3isa s ALA 60 N 0.01 2.71 0.00 3.20 0.00 0.31 -4.70 121.76 123.29 3isa s ALA 60 Ca -0.04 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3isa s ALA 60 Cb -0.12 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.65 3isa s ALA 60 CO 0.03 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3isa n GLY 61 N 0.09 0.38 0.12 0.00 0.00 -1.26 -4.34 105.19 100.18 3isa n GLY 61 Ca 0.11 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 44.98 3isa n GLY 61 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3isa h ARG 62 N 0.00 0.00 -4.54 1.61 3.08 -1.88 -3.48 114.38 109.17 3isa h ARG 62 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 3isa h ARG 62 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.92 3isa h ARG 62 CO 0.00 0.00 -0.46 0.54 -1.07 0.00 0.00 179.97 178.98 3isa s ASN 63 N -4.91 0.76 0.00 7.04 4.22 -1.26 -3.09 114.94 117.69 3isa s ASN 63 Ca 0.07 -1.49 0.00 0.00 -2.14 0.00 0.00 52.86 49.30 3isa s ASN 63 Cb 0.11 0.50 0.00 0.00 1.28 0.00 0.00 41.25 43.14 3isa s ASN 63 CO 0.68 -1.01 0.33 0.33 -2.04 0.00 0.00 177.10 175.39 3isa n PHE 64 N -0.44 0.00 -3.58 1.54 7.35 -0.98 -4.15 117.46 117.20 3isa n PHE 64 Ca 0.03 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.57 3isa n PHE 64 Cb 0.64 -0.46 -0.06 0.00 0.35 0.00 0.00 39.48 39.94 3isa n PHE 64 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3isa s SER 65 N -2.56 -0.68 0.00 -2.13 0.15 -1.26 -4.34 113.70 102.88 3isa s SER 65 Ca 0.00 1.06 0.15 0.00 0.70 0.00 0.00 55.95 57.86 3isa s SER 65 Cb 0.00 0.99 0.50 0.00 -1.71 0.00 0.00 66.02 65.79 3isa s SER 65 CO 0.00 -0.41 1.38 0.00 1.20 0.00 0.00 173.24 175.42 3isa n ALA 66 N 1.81 2.47 -0.21 5.45 0.00 -0.28 -1.87 120.51 127.88 3isa n ALA 66 Ca -0.16 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3isa n ALA 66 Cb 0.56 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.00 3isa n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3isa n GLY 67 N 1.12 -0.41 3.60 0.00 0.00 -1.05 -4.43 105.19 104.01 3isa n GLY 67 Ca 0.14 -1.08 -0.52 0.00 0.00 0.00 0.00 46.02 44.57 3isa n GLY 67 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3isa n PHE 68 N 0.00 1.59 -2.66 1.61 7.35 -1.26 0.39 117.46 124.48 3isa n PHE 68 Ca 0.00 0.60 -0.43 0.00 -0.76 0.00 0.00 57.45 56.86 3isa n PHE 68 Cb 0.00 -2.35 -0.03 0.00 0.35 0.00 0.00 39.48 37.45 3isa n PHE 68 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3isa s ASP 69 N 0.58 6.59 0.00 -2.13 -1.08 -0.76 -4.63 116.67 115.24 3isa s ASP 69 Ca 0.84 0.36 0.29 0.00 -0.52 0.00 0.00 52.55 53.52 3isa s ASP 69 Cb -0.93 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 39.23 3isa s ASP 69 CO 0.46 -1.20 1.84 0.49 0.52 0.00 0.00 175.17 177.29 3isa n PHE 70 N 7.67 0.00 -1.68 -5.34 3.72 -1.26 -4.82 117.46 115.75 3isa n PHE 70 Ca 0.10 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 57.01 3isa n PHE 70 Cb 0.49 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.95 3isa n PHE 70 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3isa n THR 71 N -0.27 0.43 -2.40 4.37 -1.04 -1.26 -1.74 114.28 112.37 3isa n THR 71 Ca 0.19 -0.08 -0.19 0.00 -2.04 0.00 0.00 64.05 61.93 3isa n THR 71 Cb 0.29 -1.70 -0.01 0.00 -1.82 0.00 0.00 70.33 67.09 3isa n THR 71 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3isa n ASP 72 N 5.78 -5.59 0.15 8.00 8.00 -1.26 -4.89 116.55 126.74 3isa n ASP 72 Ca 0.22 0.02 0.04 0.00 0.71 0.00 0.00 54.79 55.78 3isa n ASP 72 Cb 0.27 -4.67 0.44 0.00 -0.02 0.00 0.00 41.12 37.14 3isa n ASP 72 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3isa h TYR 73 N 0.00 0.19 -0.62 1.24 -0.00 -1.66 -2.45 116.97 113.68 3isa h TYR 73 Ca -0.46 -0.02 0.13 0.00 0.00 0.00 0.00 58.73 58.38 3isa h TYR 73 Cb 1.34 -0.06 -0.04 0.00 0.00 0.00 0.00 36.73 37.98 3isa h TYR 73 CO 0.58 0.29 0.42 0.93 -0.00 0.00 0.00 178.16 180.39 3isa h GLU 74 N 0.18 0.27 -0.02 0.10 3.07 -1.90 -1.10 114.58 115.18 3isa h GLU 74 Ca 0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3isa h GLU 74 Cb 0.30 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3isa h GLU 74 CO 0.02 0.18 -0.03 0.25 -1.40 0.00 0.00 179.01 178.03 3isa n THR 75 N -4.45 0.00 -3.97 1.13 -2.24 -0.92 -4.87 114.28 98.96 3isa n THR 75 Ca 0.11 -0.31 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 3isa n THR 75 Cb 0.49 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.43 3isa n THR 75 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3isa s GLN 76 N -2.04 3.28 0.83 -0.78 -0.21 -0.42 -5.11 119.66 115.21 3isa s GLN 76 Ca 0.34 -0.45 -0.12 0.00 0.02 0.00 0.00 55.36 55.15 3isa s GLN 76 Cb 0.21 -2.97 0.09 0.00 1.00 0.00 0.00 33.01 31.33 3isa s GLN 76 CO 0.34 0.63 1.13 -1.54 -2.12 0.00 0.00 175.29 173.73 3isa s SER 77 N -2.16 4.26 0.32 5.90 1.04 -1.26 -4.88 113.70 116.93 3isa s SER 77 Ca 0.29 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.76 3isa s SER 77 Cb -0.13 -1.67 0.53 0.00 0.10 0.00 0.00 66.02 64.85 3isa s SER 77 CO 0.21 -2.08 1.97 -0.33 0.98 0.00 0.00 173.24 173.99 3isa h GLU 78 N -1.17 0.93 -0.37 4.02 4.39 -1.99 -2.33 114.58 118.05 3isa h GLU 78 Ca -0.48 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.09 3isa h GLU 78 Cb 1.30 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 3isa h GLU 78 CO 0.62 0.65 0.01 0.78 -1.16 0.00 0.00 179.01 179.91 3isa h GLY 79 N 0.98 0.71 0.47 -3.84 0.00 -1.96 -1.65 103.07 97.78 3isa h GLY 79 Ca 0.25 -0.52 0.09 0.00 0.00 0.00 0.00 47.33 47.15 3isa h GLY 79 CO -0.05 0.48 0.28 -0.55 0.00 0.00 0.00 176.54 176.70 3isa h ASP 80 N 0.48 0.34 -0.34 0.19 3.32 -1.83 -0.08 116.42 118.50 3isa h ASP 80 Ca 0.11 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 3isa h ASP 80 Cb 0.46 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3isa h ASP 80 CO 0.02 0.20 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.50 3isa h LEU 81 N 0.50 0.74 -0.30 1.55 3.38 -1.30 -1.87 115.31 118.02 3isa h LEU 81 Ca 0.31 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3isa h LEU 81 Cb 0.34 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3isa h LEU 81 CO -0.27 0.99 0.07 0.25 0.09 0.00 0.00 178.44 179.56 3isa h LEU 82 N 0.50 0.03 -0.48 1.67 5.85 -0.98 -1.52 115.31 120.37 3isa h LEU 82 Ca 0.08 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.87 3isa h LEU 82 Cb 0.71 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3isa h LEU 82 CO 0.05 0.05 0.26 0.25 -0.34 0.00 0.00 178.44 178.71 3isa h LEU 83 N 0.18 0.39 -0.87 2.25 5.85 -0.82 0.55 115.31 122.84 3isa h LEU 83 Ca 0.14 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3isa h LEU 83 Cb 0.14 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3isa h LEU 83 CO -0.17 0.28 0.48 0.03 -0.34 0.00 0.00 178.44 178.71 3isa h ARG 84 N 0.51 1.20 -0.44 1.25 3.08 -1.01 -0.79 114.38 118.18 3isa h ARG 84 Ca 0.20 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3isa h ARG 84 Cb 0.08 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 3isa h ARG 84 CO -0.12 0.88 0.05 0.52 -1.07 0.00 0.00 179.97 180.22 3isa h MET 85 N 1.21 0.74 -0.48 0.04 2.86 -0.76 -1.14 114.93 117.41 3isa h MET 85 Ca 0.31 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3isa h MET 85 Cb 0.02 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 3isa h MET 85 CO -0.05 0.79 0.27 0.28 1.06 0.00 0.00 176.91 179.25 3isa h VAL 86 N 0.60 1.02 -0.53 -2.22 2.07 -0.51 -1.09 116.25 115.59 3isa h VAL 86 Ca 0.13 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3isa h VAL 86 Cb 0.42 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3isa h VAL 86 CO 0.01 0.10 0.01 0.03 0.02 0.00 0.00 177.57 177.74 3isa h ARG 87 N 0.54 0.90 -0.14 1.57 2.47 -1.05 0.75 114.38 119.41 3isa h ARG 87 Ca 0.20 -0.25 0.04 0.00 -1.26 0.00 0.00 59.98 58.71 3isa h ARG 87 Cb 0.05 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 3isa h ARG 87 CO -0.11 0.88 -0.12 0.82 0.56 0.00 0.00 179.97 182.01 3isa h ILE 88 N 0.83 0.66 -0.85 2.04 2.04 -0.93 -0.29 117.51 121.01 3isa h ILE 88 Ca 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3isa h ILE 88 Cb 0.48 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3isa h ILE 88 CO 0.02 0.00 0.39 -0.08 0.00 0.00 0.00 178.15 178.49 3isa h GLU 89 N -0.14 1.23 -0.91 2.37 4.57 -0.70 0.14 114.58 121.13 3isa h GLU 89 Ca 0.09 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3isa h GLU 89 Cb 0.27 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3isa h GLU 89 CO -0.23 0.95 0.53 0.52 -1.18 0.00 0.00 179.01 179.60 3isa h MET 90 N 1.21 1.25 -0.04 1.92 2.86 -0.64 -0.44 114.93 121.05 3isa h MET 90 Ca 0.29 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3isa h MET 90 Cb 0.14 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 3isa h MET 90 CO -0.03 0.89 0.02 1.25 1.06 0.00 0.00 176.91 180.09 3isa h LEU 91 N 1.26 0.02 -1.00 1.22 5.85 -0.46 -1.90 115.31 120.30 3isa h LEU 91 Ca 0.32 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 3isa h LEU 91 Cb -0.02 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3isa h LEU 91 CO -0.06 0.02 0.50 -0.07 -0.34 0.00 0.00 178.44 178.49 3isa h LEU 92 N 0.04 1.06 -0.69 2.25 3.38 -0.56 -1.84 115.31 118.95 3isa h LEU 92 Ca 0.02 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3isa h LEU 92 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3isa h LEU 92 CO -0.01 0.83 -0.22 1.56 0.09 0.00 0.00 178.44 180.69 3isa h GLN 93 N 1.20 0.78 -0.83 1.13 4.20 -0.95 0.13 115.11 120.76 3isa h GLN 93 Ca 0.31 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3isa h GLN 93 Cb -0.01 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3isa h GLN 93 CO -0.05 0.93 0.46 0.00 -0.67 0.00 0.00 178.83 179.49 3isa h ARG 94 N 0.68 1.16 -0.03 1.46 3.08 -0.80 -1.14 114.38 118.79 3isa h ARG 94 Ca 0.09 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3isa h ARG 94 Cb 0.73 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.56 3isa h ARG 94 CO 0.06 0.85 -0.30 0.28 -1.07 0.00 0.00 179.97 179.79 3isa h VAL 95 N 1.17 1.48 -0.79 2.04 2.07 -1.14 -2.62 116.25 118.47 3isa h VAL 95 Ca 0.29 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 3isa h VAL 95 Cb 0.03 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 32.32 3isa h VAL 95 CO -0.05 0.52 0.43 0.00 0.02 0.00 0.00 177.57 178.49 3isa h ALA 96 N 0.34 1.29 -0.38 1.67 0.00 -0.91 -2.53 119.26 118.73 3isa h ALA 96 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3isa h ALA 96 Cb 1.00 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3isa h ALA 96 CO 0.06 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.30 3isa n GLY 97 N -1.19 0.99 3.67 0.00 0.00 -0.44 -5.00 105.19 103.23 3isa n GLY 97 Ca 0.08 -0.50 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 3isa n GLY 97 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3isa n SER 98 N 0.78 2.85 0.26 1.61 2.88 -0.95 -4.89 113.62 116.15 3isa n SER 98 Ca 0.16 1.13 0.13 0.00 -1.33 0.00 0.00 58.87 58.96 3isa n SER 98 Cb 0.39 -1.43 0.70 0.00 -0.75 0.00 0.00 64.21 63.12 3isa n SER 98 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3isa h PRO 99 N 4.59 0.00 -7.16 -1.46 0.11 -1.91 -3.44 132.00 122.74 3isa h PRO 99 Ca -0.45 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.16 3isa h PRO 99 Cb 1.27 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.45 3isa h PRO 99 CO 0.79 0.12 0.39 -1.12 -0.21 0.00 0.00 178.00 177.97 3isa s SER 100 N -6.04 5.62 0.45 -2.05 0.01 -1.26 -4.28 113.70 106.14 3isa s SER 100 Ca -0.02 1.97 -0.23 0.00 1.31 0.00 0.00 55.95 58.98 3isa s SER 100 Cb 0.12 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 3isa s SER 100 CO 0.58 -1.28 1.16 -0.22 0.41 0.00 0.00 173.24 173.88 3isa s LEU 101 N -4.33 4.05 -0.03 2.44 2.96 0.46 -4.89 118.68 119.33 3isa s LEU 101 Ca 0.67 2.29 0.04 0.00 -0.22 0.00 0.00 54.13 56.91 3isa s LEU 101 Cb -0.19 -4.21 -0.01 0.00 0.50 0.00 0.00 46.19 42.28 3isa s LEU 101 CO 0.34 -0.85 -0.15 0.42 -1.32 0.00 0.00 176.35 174.79 3isa s THR 102 N -1.54 1.24 -0.05 3.68 -4.23 -1.26 -0.88 115.64 112.60 3isa s THR 102 Ca 0.62 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 3isa s THR 102 Cb -0.28 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.51 3isa s THR 102 CO 0.34 0.36 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.46 3isa s LEU 103 N -0.12 1.65 -0.00 4.79 2.96 -0.15 -0.90 118.68 126.91 3isa s LEU 103 Ca 0.01 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 3isa s LEU 103 Cb -0.09 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.90 3isa s LEU 103 CO 0.01 0.04 -0.22 0.00 -1.32 0.00 0.00 176.35 174.85 3isa s ALA 104 N 0.53 1.85 -0.26 5.97 0.00 0.04 -0.42 121.76 129.46 3isa s ALA 104 Ca -0.10 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3isa s ALA 104 Cb -0.13 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.61 3isa s ALA 104 CO 0.02 0.45 -0.01 -0.51 0.00 0.00 0.00 175.76 175.70 3isa s LEU 105 N -0.66 2.75 -0.02 0.00 1.43 -0.55 -1.90 118.68 119.73 3isa s LEU 105 Ca 0.09 -1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 3isa s LEU 105 Cb -0.09 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3isa s LEU 105 CO -0.00 -0.29 0.07 0.00 0.23 0.00 0.00 176.35 176.36 3isa s ALA 106 N 1.38 3.54 0.24 4.21 0.00 -0.24 -4.46 121.76 126.43 3isa s ALA 106 Ca -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 3isa s ALA 106 Cb -0.19 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 3isa s ALA 106 CO -0.09 0.67 0.27 -3.38 0.00 0.00 0.00 175.76 173.23 3isa s HIS 107 N -1.14 0.98 0.00 0.00 -3.43 -1.26 -1.56 115.29 108.88 3isa s HIS 107 Ca 0.21 -1.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.26 3isa s HIS 107 Cb -0.12 -0.32 0.00 0.00 -1.43 0.00 0.00 32.58 30.71 3isa s HIS 107 CO 0.12 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 172.46 3isa n GLY 108 N -0.36 0.64 3.65 -1.38 0.00 -1.18 -2.32 105.19 104.26 3isa n GLY 108 Ca 0.01 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 3isa n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3isa s ARG 109 N 0.00 4.07 0.03 1.61 0.52 -1.26 -0.80 118.95 123.11 3isa s ARG 109 Ca 0.00 -0.24 0.07 0.00 -0.52 0.00 0.00 55.73 55.04 3isa s ARG 109 Cb 0.00 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 31.90 3isa s ARG 109 CO 0.00 0.03 -0.20 -0.80 0.02 0.00 0.00 175.30 174.35 3isa s ASN 110 N 1.12 2.39 0.01 0.23 0.01 -0.42 -4.62 114.94 113.66 3isa s ASN 110 Ca 0.08 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 51.78 3isa s ASN 110 Cb -0.14 -0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.30 3isa s ASN 110 CO 0.05 0.18 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.42 3isa s PHE 111 N -0.70 0.39 0.00 2.20 0.08 -0.78 -1.04 117.98 118.13 3isa s PHE 111 Ca 0.07 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.95 3isa s PHE 111 Cb -0.08 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.12 3isa s PHE 111 CO 0.01 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 3isa n GLY 112 N 2.62 3.48 0.37 4.36 0.00 0.71 -0.99 105.19 115.75 3isa n GLY 112 Ca -0.15 0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.19 3isa n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isa h ALA 113 N -0.65 2.46 -0.22 4.61 0.00 -1.91 -0.55 119.26 123.01 3isa h ALA 113 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3isa h ALA 113 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3isa h ALA 113 CO 0.00 -0.60 0.12 0.78 0.00 0.00 0.00 179.25 179.55 3isa h GLY 114 N 0.00 0.32 1.20 0.00 0.00 -1.28 -0.32 103.07 102.98 3isa h GLY 114 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 3isa h GLY 114 CO -0.00 0.14 0.33 -2.08 0.00 0.00 0.00 176.54 174.92 3isa h VAL 115 N 0.25 1.23 -0.30 4.60 2.07 -1.11 -2.50 116.25 120.49 3isa h VAL 115 Ca 0.08 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3isa h VAL 115 Cb 0.05 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3isa h VAL 115 CO -0.01 0.28 -0.18 0.44 0.02 0.00 0.00 177.57 178.12 3isa h ASP 116 N 1.02 0.53 -0.34 0.57 3.32 -0.78 0.11 116.42 120.85 3isa h ASP 116 Ca 0.25 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3isa h ASP 116 Cb 0.13 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3isa h ASP 116 CO -0.03 0.73 0.10 0.25 -1.72 0.00 0.00 179.24 178.57 3isa h LEU 117 N 0.49 0.49 -0.59 1.55 5.85 -0.87 -0.90 115.31 121.33 3isa h LEU 117 Ca 0.08 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3isa h LEU 117 Cb 0.59 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3isa h LEU 117 CO 0.04 0.57 0.33 0.15 -0.34 0.00 0.00 178.44 179.20 3isa h PHE 118 N 0.39 0.62 -0.23 1.25 3.57 -1.19 -2.87 116.94 118.47 3isa h PHE 118 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3isa h PHE 118 Cb 0.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3isa h PHE 118 CO 0.01 0.32 -0.01 0.00 -2.23 0.00 0.00 178.31 176.40 3isa h ALA 119 N 1.30 1.56 0.00 2.41 0.00 -0.36 -2.47 119.26 121.70 3isa h ALA 119 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3isa h ALA 119 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3isa h ALA 119 CO -0.15 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3isa h ALA 120 N 1.67 1.00 -2.25 0.00 0.00 -0.94 -3.44 119.26 115.30 3isa h ALA 120 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.51 3isa h ALA 120 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3isa h ALA 120 CO 0.01 0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.49 3isa h LYS 122 N 2.38 0.10 -5.49 0.00 1.79 -1.74 -3.42 116.57 110.19 3isa h LYS 122 Ca -0.48 -0.17 -0.60 0.00 -2.18 0.00 0.00 60.65 57.21 3isa h LYS 122 Cb 1.18 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.78 3isa h LYS 122 CO 0.64 1.08 -0.03 -1.58 -1.08 0.00 0.00 179.45 178.47 3isa s TRP 123 N -2.31 3.34 -0.16 -1.35 0.52 -0.07 -5.00 118.94 113.91 3isa s TRP 123 Ca -0.17 0.74 -0.00 0.00 0.02 0.00 0.00 56.10 56.68 3isa s TRP 123 Cb -0.02 -2.68 0.04 0.00 -1.15 0.00 0.00 33.47 29.66 3isa s TRP 123 CO 0.74 -0.15 -0.07 1.03 0.02 0.00 0.00 176.95 178.52 3isa s ARG 124 N 1.83 1.58 0.05 4.98 0.52 -1.26 -0.78 118.95 125.87 3isa s ARG 124 Ca 0.23 -0.50 0.05 0.00 -0.52 0.00 0.00 55.73 54.99 3isa s ARG 124 Cb -0.15 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 3isa s ARG 124 CO 0.09 -0.38 -0.14 0.71 0.02 0.00 0.00 175.30 175.60 3isa s TYR 125 N 1.61 1.22 0.14 -0.53 2.02 -0.80 -0.54 117.35 120.47 3isa s TYR 125 Ca 0.02 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.32 3isa s TYR 125 Cb -0.15 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 3isa s TYR 125 CO -0.08 0.04 0.03 0.00 -1.57 0.00 0.00 175.55 173.98 3isa s THR 127 N -3.90 3.37 0.66 0.00 -4.23 -0.60 -0.22 115.64 110.72 3isa s THR 127 Ca 0.23 0.73 0.38 0.00 -1.18 0.00 0.00 61.69 61.85 3isa s THR 127 Cb 0.07 -3.25 0.38 0.00 1.34 0.00 0.00 72.50 71.05 3isa s THR 127 CO 0.02 -0.31 2.18 -0.65 -0.54 0.00 0.00 174.62 175.32 3isa h PRO 128 N 0.63 0.00 -0.35 3.99 0.11 -1.91 -1.46 132.00 133.01 3isa h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3isa h PRO 128 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3isa h PRO 128 CO 0.56 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 3isa n GLU 129 N -3.04 2.33 -2.09 1.05 -0.58 -1.26 -4.46 120.64 112.59 3isa n GLU 129 Ca -0.02 -2.03 -0.36 0.00 -0.42 0.00 0.00 57.16 54.33 3isa n GLU 129 Cb 0.21 -1.36 0.02 0.00 -0.57 0.00 0.00 31.44 29.75 3isa n GLU 129 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3isa s ALA 130 N -1.09 2.60 0.11 0.62 0.00 -0.55 -4.69 121.76 118.76 3isa s ALA 130 Ca 0.28 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.25 3isa s ALA 130 Cb 0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3isa s ALA 130 CO 0.21 -1.04 -0.12 0.20 0.00 0.00 0.00 175.76 175.02 3isa s GLY 131 N -1.63 0.98 -0.00 0.00 0.00 0.02 -1.91 107.32 104.77 3isa s GLY 131 Ca 0.76 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3isa s GLY 131 CO 0.31 -1.33 -0.03 -1.36 0.00 0.00 0.00 173.10 170.69 3isa s PHE 132 N -2.36 0.28 -0.15 1.90 0.08 0.01 -1.29 117.98 116.45 3isa s PHE 132 Ca 0.08 -0.05 -0.08 0.00 0.12 0.00 0.00 56.93 57.00 3isa s PHE 132 Cb -0.03 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.28 3isa s PHE 132 CO 0.02 -0.01 0.37 0.50 -0.10 0.00 0.00 175.22 176.00 3isa s ARG 133 N -0.01 0.35 -0.64 0.44 3.52 -0.21 -0.08 118.95 122.33 3isa s ARG 133 Ca 0.01 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 56.33 3isa s ARG 133 Cb -0.02 -0.04 0.16 0.00 -1.56 0.00 0.00 34.95 33.49 3isa s ARG 133 CO -0.00 -0.16 0.43 -1.64 -0.81 0.00 0.00 175.30 173.12 3isa s MET 134 N 1.33 2.45 0.00 5.12 -1.94 -1.26 -0.20 119.30 124.79 3isa s MET 134 Ca -0.09 -2.78 0.23 0.00 -1.71 0.00 0.00 55.69 51.34 3isa s MET 134 Cb -0.09 -3.58 0.68 0.00 2.01 0.00 0.00 34.83 33.85 3isa s MET 134 CO -0.11 -1.18 1.52 -0.35 -0.01 0.00 0.00 175.02 174.89 3isa n PRO 135 N 2.99 1.94 -0.11 2.03 -0.04 -1.26 -4.60 135.00 135.94 3isa n PRO 135 Ca 0.10 -1.41 0.17 0.00 -0.04 0.00 0.00 63.50 62.32 3isa n PRO 135 Cb 0.35 -1.44 0.56 0.00 -0.04 0.00 0.00 33.50 32.93 3isa n PRO 135 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3isa h GLY 136 N 4.86 0.49 1.93 0.55 0.00 -1.93 0.02 103.07 108.99 3isa h GLY 136 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3isa h GLY 136 CO 0.00 0.05 0.03 1.41 0.00 0.00 0.00 176.54 178.02 3isa h LEU 137 N 0.30 0.00 -2.32 3.11 3.38 -1.80 -0.75 115.31 117.22 3isa h LEU 137 Ca 0.33 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.31 3isa h LEU 137 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 3isa h LEU 137 CO -0.08 0.00 0.03 0.11 0.09 0.00 0.00 178.44 178.59 3isa h LYS 138 N 0.00 0.00 -0.25 1.13 1.79 -1.31 -0.92 116.57 117.01 3isa h LYS 138 Ca 0.01 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 3isa h LYS 138 Cb 0.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 3isa h LYS 138 CO -0.00 0.00 -0.03 1.97 -1.08 0.00 0.00 179.45 180.31 3isa n PHE 139 N -4.02 0.85 -0.98 -1.35 1.16 -0.41 -4.83 117.46 107.88 3isa n PHE 139 Ca -0.02 -1.13 0.00 0.00 -1.87 0.00 0.00 57.45 54.43 3isa n PHE 139 Cb 0.12 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 37.65 3isa n PHE 139 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3isa n GLY 140 N -0.85 0.62 3.72 4.97 0.00 -0.35 -4.71 105.19 108.59 3isa n GLY 140 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3isa n GLY 140 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3isa s LEU 141 N 0.00 4.42 -0.62 0.99 2.96 -0.48 -4.68 118.68 121.28 3isa s LEU 141 Ca 0.00 1.75 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 3isa s LEU 141 Cb 0.00 -3.58 0.16 0.00 0.50 0.00 0.00 46.19 43.27 3isa s LEU 141 CO 0.00 -0.20 0.42 -0.69 -1.32 0.00 0.00 176.35 174.56 3isa s VAL 142 N 0.57 3.48 -0.09 1.68 1.01 -1.26 -3.28 120.40 122.51 3isa s VAL 142 Ca 0.50 -3.12 0.00 0.00 0.00 0.00 0.00 61.98 59.36 3isa s VAL 142 Cb -0.23 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.89 3isa s VAL 142 CO 0.29 -0.87 -0.07 -0.22 0.00 0.00 0.00 175.10 174.23 3isa s LEU 143 N -0.22 1.20 0.00 3.92 2.96 -1.26 -3.46 118.68 121.83 3isa s LEU 143 Ca 0.18 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 3isa s LEU 143 Cb -0.21 -0.74 0.00 0.00 0.50 0.00 0.00 46.19 45.75 3isa s LEU 143 CO -0.03 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 3isa n GLY 144 N 4.65 0.49 0.31 7.98 0.00 -1.26 -4.93 105.19 112.44 3isa n GLY 144 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3isa n GLY 144 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3isa h THR 145 N 0.00 0.44 -0.44 2.61 2.02 -1.98 -0.47 112.91 115.09 3isa h THR 145 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3isa h THR 145 Cb 0.18 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3isa h THR 145 CO 0.00 0.00 -0.23 0.03 0.37 0.00 0.00 175.52 175.69 3isa h ARG 146 N -0.69 0.91 -0.77 6.66 3.08 -1.98 -1.62 114.38 119.97 3isa h ARG 146 Ca -0.05 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.58 3isa h ARG 146 Cb 0.56 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 3isa h ARG 146 CO 0.06 1.04 0.38 0.00 -1.07 0.00 0.00 179.97 180.38 3isa h ARG 147 N 0.78 1.11 -0.46 0.04 3.08 -1.95 -0.49 114.38 116.49 3isa h ARG 147 Ca 0.10 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3isa h ARG 147 Cb 0.79 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3isa h ARG 147 CO 0.07 0.86 0.30 0.35 -1.07 0.00 0.00 179.97 180.47 3isa h PHE 148 N 1.09 0.59 -0.63 3.04 3.57 -0.91 -2.76 116.94 120.93 3isa h PHE 148 Ca 0.27 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.86 3isa h PHE 148 Cb 0.11 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 3isa h PHE 148 CO 0.01 0.39 0.28 -0.09 -2.23 0.00 0.00 178.31 176.67 3isa h ARG 149 N 0.62 0.48 -0.28 1.11 2.43 -0.93 -1.68 114.38 116.13 3isa h ARG 149 Ca 0.17 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3isa h ARG 149 Cb -0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3isa h ARG 149 CO -0.03 0.32 0.17 -0.44 -1.51 0.00 0.00 179.97 178.47 3isa h ASP 150 N 0.49 0.32 0.12 -3.80 3.32 -0.86 0.65 116.42 116.67 3isa h ASP 150 Ca 0.31 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3isa h ASP 150 Cb 0.33 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3isa h ASP 150 CO -0.27 0.25 -0.06 0.40 -1.72 0.00 0.00 179.24 177.84 3isa h ILE 151 N 0.38 0.60 0.00 0.35 2.04 -1.15 -3.40 117.51 116.34 3isa h ILE 151 Ca 0.10 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3isa h ILE 151 Cb -0.02 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3isa h ILE 151 CO -0.02 0.18 -1.03 1.33 0.00 0.00 0.00 178.15 178.62 3isa n VAL 152 N -4.86 0.01 0.00 1.67 0.24 -0.68 -4.85 118.33 109.86 3isa n VAL 152 Ca -0.05 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3isa n VAL 152 Cb 0.21 0.75 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 3isa n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3isa n GLY 153 N 1.47 -0.18 0.36 7.63 0.00 0.23 -4.37 105.19 110.32 3isa n GLY 153 Ca 0.03 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.56 3isa n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isa h ALA 154 N 0.00 1.54 0.33 4.61 0.00 -1.95 -1.23 119.26 122.56 3isa h ALA 154 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3isa h ALA 154 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3isa h ALA 154 CO 0.00 0.34 -0.21 0.22 0.00 0.00 0.00 179.25 179.61 3isa h ASP 155 N 0.98 -0.51 0.05 0.00 3.58 -1.95 -0.84 116.42 117.73 3isa h ASP 155 Ca 0.36 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.72 3isa h ASP 155 Cb 0.16 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3isa h ASP 155 CO -0.12 -0.33 -0.37 -0.61 -2.88 0.00 0.00 179.24 174.93 3isa h GLN 156 N -0.52 0.43 -0.38 0.28 5.75 -1.68 -2.66 115.11 116.33 3isa h GLN 156 Ca -0.03 -0.20 -0.07 0.00 -0.15 0.00 0.00 58.65 58.19 3isa h GLN 156 Cb 0.43 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 3isa h GLN 156 CO 0.04 0.74 -0.05 0.00 -2.65 0.00 0.00 178.83 176.91 3isa h ALA 157 N 1.24 0.52 -0.57 3.38 0.00 -1.20 -1.35 119.26 121.28 3isa h ALA 157 Ca 0.04 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3isa h ALA 157 Cb 0.82 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3isa h ALA 157 CO 0.07 0.34 0.32 1.25 0.00 0.00 0.00 179.25 181.23 3isa h LEU 158 N 0.51 0.49 -0.13 0.00 5.85 -1.03 0.52 115.31 121.53 3isa h LEU 158 Ca 0.10 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3isa h LEU 158 Cb 0.54 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3isa h LEU 158 CO 0.03 0.34 0.02 0.28 -0.34 0.00 0.00 178.44 178.77 3isa h SER 159 N 0.62 0.20 -0.08 1.25 0.02 -1.35 -0.44 113.55 113.78 3isa h SER 159 Ca 0.25 -0.26 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 3isa h SER 159 Cb 0.10 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3isa h SER 159 CO -0.14 0.41 -0.31 0.40 -1.14 0.00 0.00 176.83 176.04 3isa h ILE 160 N -0.01 1.42 0.03 3.27 2.04 -1.15 -3.27 117.51 119.84 3isa h ILE 160 Ca 0.04 -1.70 -0.21 0.00 1.00 0.00 0.00 64.86 63.98 3isa h ILE 160 Cb 0.29 2.29 0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3isa h ILE 160 CO 0.00 0.49 -0.85 -0.07 0.00 0.00 0.00 178.15 177.72 3isa h LEU 161 N -0.13 0.70 0.00 1.44 3.38 -0.98 -2.51 115.31 117.20 3isa h LEU 161 Ca -0.02 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3isa h LEU 161 Cb 0.96 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3isa h LEU 161 CO 0.07 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.60 3isa n GLY 162 N 1.18 -0.69 0.00 0.83 0.00 -0.17 -2.15 105.19 104.18 3isa n GLY 162 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3isa n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3isa n SER 163 N -1.12 0.32 -3.44 1.61 7.64 -1.23 -5.03 113.62 112.37 3isa n SER 163 Ca 0.11 -0.77 -0.25 0.00 1.01 0.00 0.00 58.87 58.97 3isa n SER 163 Cb 0.09 0.14 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 3isa n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3isa n ALA 164 N -0.14 -1.12 -1.93 -0.43 0.00 -0.92 -4.95 120.51 111.03 3isa n ALA 164 Ca 0.00 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 3isa n ALA 164 Cb 0.10 -3.78 -0.06 0.00 0.00 0.00 0.00 19.45 15.70 3isa n ALA 164 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3isa s ARG 165 N -6.13 4.31 0.20 0.00 1.70 -1.11 -4.68 118.95 113.25 3isa s ARG 165 Ca 0.46 1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 56.48 3isa s ARG 165 Cb -0.23 -2.59 -0.08 0.00 -0.57 0.00 0.00 34.95 31.48 3isa s ARG 165 CO 0.57 0.20 1.15 0.00 -1.08 0.00 0.00 175.30 176.14 3isa s ALA 166 N -1.81 3.41 0.08 7.88 0.00 -1.26 -4.49 121.76 125.56 3isa s ALA 166 Ca 0.52 0.90 0.09 0.00 0.00 0.00 0.00 51.96 53.47 3isa s ALA 166 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3isa s ALA 166 CO 0.19 -0.28 -0.23 -0.59 0.00 0.00 0.00 175.76 174.85 3isa s PHE 167 N -0.33 2.04 0.69 0.00 -0.12 0.89 -4.97 117.98 116.17 3isa s PHE 167 Ca 0.50 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.99 3isa s PHE 167 Cb -0.31 -1.17 0.11 0.00 -0.63 0.00 0.00 43.02 41.02 3isa s PHE 167 CO 0.37 0.18 0.95 0.16 -0.05 0.00 0.00 175.22 176.83 3isa s ASP 168 N -1.54 4.52 0.29 1.98 -4.77 -1.26 -0.81 116.67 115.07 3isa s ASP 168 Ca 0.10 -0.38 -0.00 0.00 -3.30 0.00 0.00 52.55 48.97 3isa s ASP 168 Cb -0.10 -0.07 0.49 0.00 -1.09 0.00 0.00 42.92 42.15 3isa s ASP 168 CO 0.03 -1.74 1.91 0.00 0.70 0.00 0.00 175.17 176.08 3isa h ALA 169 N -0.39 1.48 -0.22 2.11 0.00 -1.60 0.87 119.26 121.50 3isa h ALA 169 Ca -0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3isa h ALA 169 Cb 1.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3isa h ALA 169 CO 0.41 0.39 0.05 -0.44 0.00 0.00 0.00 179.25 179.67 3isa h ASP 170 N 1.08 0.33 -0.41 0.00 3.32 -1.89 -0.50 116.42 118.35 3isa h ASP 170 Ca 0.39 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3isa h ASP 170 Cb 0.16 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3isa h ASP 170 CO -0.14 0.47 0.06 -0.08 -1.72 0.00 0.00 179.24 177.83 3isa h GLU 171 N 0.17 0.68 -0.57 3.56 4.81 -1.88 -1.65 114.58 119.70 3isa h GLU 171 Ca 0.07 -0.19 0.10 0.00 -0.13 0.00 0.00 59.36 59.22 3isa h GLU 171 Cb 0.27 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.49 3isa h GLU 171 CO 0.00 0.73 0.12 0.00 -0.73 0.00 0.00 179.01 179.13 3isa h ALA 172 N 0.92 0.67 -0.52 2.92 0.00 -0.69 -1.42 119.26 121.14 3isa h ALA 172 Ca 0.12 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3isa h ALA 172 Cb 0.38 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3isa h ALA 172 CO 0.01 -0.30 0.04 -0.09 0.00 0.00 0.00 179.25 178.91 3isa h ARG 173 N 0.26 0.90 -0.82 0.00 2.43 -0.96 -0.21 114.38 115.98 3isa h ARG 173 Ca 0.30 -0.27 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3isa h ARG 173 Cb 0.43 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3isa h ARG 173 CO -0.38 0.90 0.53 -0.09 -1.51 0.00 0.00 179.97 179.42 3isa h ARG 174 N 0.77 1.00 -0.01 0.20 2.43 -0.74 -2.81 114.38 115.22 3isa h ARG 174 Ca 0.15 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3isa h ARG 174 Cb 0.47 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3isa h ARG 174 CO 0.02 0.66 -0.14 0.44 -1.51 0.00 0.00 179.97 179.45 3isa n ILE 175 N -4.57 0.00 -0.50 1.20 -5.35 -0.59 -4.92 119.36 104.63 3isa n ILE 175 Ca 0.10 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3isa n ILE 175 Cb 0.08 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 3isa n ILE 175 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3isa n GLY 176 N 1.26 0.75 0.18 3.28 0.00 -1.02 -4.49 105.19 105.16 3isa n GLY 176 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 3isa n GLY 176 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3isa h PHE 177 N 0.00 0.30 -4.01 1.61 3.57 -1.29 -3.43 116.94 113.69 3isa h PHE 177 Ca 0.00 -0.10 -0.69 0.00 3.53 0.00 0.00 57.97 60.71 3isa h PHE 177 Cb 0.00 -0.06 -0.23 0.00 2.79 0.00 0.00 35.95 38.45 3isa h PHE 177 CO 0.00 0.70 -0.86 0.14 -2.23 0.00 0.00 178.31 176.06 3isa s VAL 178 N -3.96 2.31 0.13 1.41 -7.23 -1.07 -4.82 120.40 107.18 3isa s VAL 178 Ca -0.04 -1.60 -0.16 0.00 -1.81 0.00 0.00 61.98 58.37 3isa s VAL 178 Cb 0.13 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 3isa s VAL 178 CO 0.78 0.18 1.67 0.03 -0.31 0.00 0.00 175.10 177.46 3isa h ARG 179 N 4.16 0.61 -2.51 4.82 3.08 -1.09 -3.40 114.38 120.05 3isa h ARG 179 Ca -0.49 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 59.54 3isa h ARG 179 Cb 1.16 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.01 3isa h ARG 179 CO 0.41 0.59 0.41 0.34 -1.07 0.00 0.00 179.97 180.65 3isa s ASP 180 N -5.89 -0.32 -0.01 7.04 -1.08 -1.26 -5.03 116.67 110.12 3isa s ASP 180 Ca -0.13 -0.23 -0.17 0.00 -0.52 0.00 0.00 52.55 51.50 3isa s ASP 180 Cb 0.10 0.50 -0.06 0.00 -1.46 0.00 0.00 42.92 42.01 3isa s ASP 180 CO 0.76 -0.87 0.48 0.00 0.52 0.00 0.00 175.17 176.05 3isa s ALA 182 N -0.59 -0.63 0.75 0.00 0.00 0.70 -4.90 121.76 117.10 3isa s ALA 182 Ca 0.26 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 3isa s ALA 182 Cb -0.17 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.37 3isa s ALA 182 CO 0.14 -0.19 1.14 0.00 0.00 0.00 0.00 175.76 176.85 3isa s ALA 183 N 1.11 2.13 0.63 0.00 0.00 -1.26 -3.45 121.76 120.92 3isa s ALA 183 Ca -0.08 0.59 0.36 0.00 0.00 0.00 0.00 51.96 52.83 3isa s ALA 183 Cb -0.09 -3.38 2.04 0.00 0.00 0.00 0.00 23.12 21.69 3isa s ALA 183 CO -0.08 -1.84 2.24 1.96 0.00 0.00 0.00 175.76 178.04 3isa h GLN 184 N -0.69 0.00 0.00 0.00 4.20 -1.98 -0.61 115.11 116.04 3isa h GLN 184 Ca -0.46 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.17 3isa h GLN 184 Cb 1.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 3isa h GLN 184 CO 0.50 0.00 -0.39 0.00 -0.67 0.00 0.00 178.83 178.27 3isa h ALA 185 N 1.89 1.05 -0.00 3.87 0.00 -2.05 -2.95 119.26 121.06 3isa h ALA 185 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3isa h ALA 185 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3isa h ALA 185 CO -0.00 0.48 -0.19 1.04 0.00 0.00 0.00 179.25 180.59 3isa n GLN 186 N -3.63 0.23 -0.05 0.00 3.00 -0.24 -4.40 117.38 112.29 3isa n GLN 186 Ca -0.01 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.00 56.79 3isa n GLN 186 Cb 0.49 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.18 3isa n GLN 186 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3isa h TRP 187 N 0.19 0.29 -0.82 1.08 4.06 -1.53 -2.59 115.95 116.63 3isa h TRP 187 Ca 0.00 -0.05 0.11 0.00 2.06 0.00 0.00 58.89 61.01 3isa h TRP 187 Cb 0.45 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.48 3isa h TRP 187 CO 0.00 0.49 0.54 -1.35 -3.56 0.00 0.00 178.44 174.55 3isa h PRO 188 N 0.01 0.69 -0.38 0.49 0.11 -1.77 -0.46 132.00 130.70 3isa h PRO 188 Ca 0.04 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3isa h PRO 188 Cb 0.37 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3isa h PRO 188 CO 0.01 0.46 -0.21 0.00 -0.21 0.00 0.00 178.00 178.04 3isa h ALA 189 N 1.60 0.92 -0.51 -0.75 0.00 -1.83 -1.60 119.26 117.09 3isa h ALA 189 Ca 0.39 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3isa h ALA 189 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3isa h ALA 189 CO -0.16 0.62 0.28 -0.07 0.00 0.00 0.00 179.25 179.92 3isa h LEU 190 N 0.64 0.63 -0.50 0.00 3.38 -0.85 -0.62 115.31 118.00 3isa h LEU 190 Ca 0.09 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3isa h LEU 190 Cb 0.71 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3isa h LEU 190 CO 0.05 0.54 0.27 0.40 0.09 0.00 0.00 178.44 179.79 3isa h ILE 191 N 0.67 0.98 -0.49 1.22 2.04 -0.98 0.18 117.51 121.14 3isa h ILE 191 Ca 0.18 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3isa h ILE 191 Cb 0.04 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3isa h ILE 191 CO -0.03 0.10 0.31 0.44 0.00 0.00 0.00 178.15 178.97 3isa h ASP 192 N 0.52 0.57 -0.76 1.72 3.32 -1.04 0.87 116.42 121.62 3isa h ASP 192 Ca 0.22 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3isa h ASP 192 Cb 0.10 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3isa h ASP 192 CO -0.14 0.43 0.31 0.00 -1.72 0.00 0.00 179.24 178.12 3isa h ALA 193 N 1.16 1.09 -0.49 3.45 0.00 -0.84 -1.60 119.26 122.03 3isa h ALA 193 Ca 0.18 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3isa h ALA 193 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3isa h ALA 193 CO -0.04 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.77 3isa h ALA 194 N 1.21 0.67 -0.86 0.00 0.00 -0.50 -1.53 119.26 118.25 3isa h ALA 194 Ca 0.26 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3isa h ALA 194 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 194 CO -0.02 0.56 0.44 0.00 0.00 0.00 0.00 179.25 180.22 3isa h ALA 195 N 0.90 1.14 -0.17 0.00 0.00 -0.64 0.13 119.26 120.62 3isa h ALA 195 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3isa h ALA 195 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3isa h ALA 195 CO 0.04 0.66 0.04 1.49 0.00 0.00 0.00 179.25 181.49 3isa h GLU 196 N 1.22 0.27 -0.76 0.00 4.57 -1.18 -2.40 114.58 116.31 3isa h GLU 196 Ca 0.30 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 3isa h GLU 196 Cb 0.09 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 3isa h GLU 196 CO -0.04 0.40 0.44 0.00 -1.18 0.00 0.00 179.01 178.63 3isa h ALA 197 N 0.85 0.97 -0.68 2.92 0.00 -0.97 -1.82 119.26 120.53 3isa h ALA 197 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3isa h ALA 197 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3isa h ALA 197 CO -0.00 0.46 0.30 0.00 0.00 0.00 0.00 179.25 180.01 3isa h ALA 198 N 1.23 1.25 -0.11 0.00 0.00 -0.69 -2.64 119.26 118.29 3isa h ALA 198 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3isa h ALA 198 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3isa h ALA 198 CO -0.05 0.56 0.00 0.25 0.00 0.00 0.00 179.25 180.02 3isa n THR 199 N -4.32 0.13 0.27 0.00 -2.24 -0.91 -4.18 114.28 103.03 3isa n THR 199 Ca 0.06 -0.41 0.11 0.00 -2.27 0.00 0.00 64.05 61.55 3isa n THR 199 Cb 0.15 0.77 0.75 0.00 -2.10 0.00 0.00 70.33 69.90 3isa n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3isa h ALA 200 N 4.38 1.60 -2.40 6.98 0.00 -0.95 -3.43 119.26 125.44 3isa h ALA 200 Ca 0.00 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.26 3isa h ALA 200 Cb 0.69 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 3isa h ALA 200 CO 0.00 0.07 -0.72 -0.51 0.00 0.00 0.00 179.25 178.09 3isa s LEU 201 N -8.03 2.84 0.63 0.00 1.43 -1.26 -5.13 118.68 109.16 3isa s LEU 201 Ca -0.04 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.07 3isa s LEU 201 Cb 0.15 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 3isa s LEU 201 CO 0.60 0.04 1.17 1.51 0.23 0.00 0.00 176.35 179.91 3isa s ASP 202 N -3.40 5.02 0.25 2.29 1.47 -1.26 -4.75 116.67 116.29 3isa s ASP 202 Ca 0.29 2.25 -0.03 0.00 1.18 0.00 0.00 52.55 56.23 3isa s ASP 202 Cb -0.06 -2.58 0.49 0.00 -0.34 0.00 0.00 42.92 40.42 3isa s ASP 202 CO 0.16 -1.70 1.72 -0.65 0.68 0.00 0.00 175.17 175.38 3isa h PRO 203 N 0.45 0.39 -0.51 2.11 0.11 -1.95 0.20 132.00 132.79 3isa h PRO 203 Ca -0.49 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3isa h PRO 203 Cb 1.28 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3isa h PRO 203 CO 0.54 0.26 0.08 0.00 -0.21 0.00 0.00 178.00 178.67 3isa h ALA 204 N 1.58 0.68 -0.35 -0.75 0.00 -1.99 -1.41 119.26 117.01 3isa h ALA 204 Ca 0.43 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3isa h ALA 204 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3isa h ALA 204 CO -0.44 0.42 -0.22 1.15 0.00 0.00 0.00 179.25 180.16 3isa h THR 205 N 0.73 1.29 -0.36 0.00 2.02 -1.83 -1.41 112.91 113.35 3isa h THR 205 Ca 0.15 -1.36 0.05 0.00 0.77 0.00 0.00 66.41 66.02 3isa h THR 205 Cb 0.41 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 3isa h THR 205 CO 0.01 0.45 0.09 -0.09 0.37 0.00 0.00 175.52 176.35 3isa h ARG 206 N 0.55 0.22 -0.54 6.66 2.43 -0.94 0.12 114.38 122.87 3isa h ARG 206 Ca 0.07 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3isa h ARG 206 Cb 0.78 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 3isa h ARG 206 CO 0.06 0.14 0.33 0.00 -1.51 0.00 0.00 179.97 179.00 3isa h ALA 207 N 1.26 0.70 -0.31 2.80 0.00 -1.19 -1.63 119.26 120.88 3isa h ALA 207 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3isa h ALA 207 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3isa h ALA 207 CO -0.21 0.06 0.17 1.15 0.00 0.00 0.00 179.25 180.43 3isa h THR 208 N 0.67 1.13 -0.53 0.00 2.02 -0.80 -1.95 112.91 113.44 3isa h THR 208 Ca 0.22 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.09 3isa h THR 208 Cb 0.00 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3isa h THR 208 CO -0.09 0.13 0.28 0.25 0.37 0.00 0.00 175.52 176.47 3isa h LEU 209 N 0.39 0.42 -0.77 2.58 5.85 -0.57 0.10 115.31 123.30 3isa h LEU 209 Ca 0.11 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3isa h LEU 209 Cb 0.06 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3isa h LEU 209 CO -0.02 0.29 0.30 0.45 -0.34 0.00 0.00 178.44 179.12 3isa h HIS 210 N 0.55 1.18 0.21 1.25 3.86 -1.10 -0.99 115.15 120.11 3isa h HIS 210 Ca 0.23 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 3isa h HIS 210 Cb 0.12 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.24 3isa h HIS 210 CO -0.09 0.90 -0.10 -0.09 0.86 0.00 0.00 177.93 179.40 3isa h ARG 211 N 1.12 -0.28 -0.87 2.45 2.43 -0.95 -2.72 114.38 115.56 3isa h ARG 211 Ca 0.26 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3isa h ARG 211 Cb 0.22 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3isa h ARG 211 CO -0.02 -0.10 0.53 0.28 -1.51 0.00 0.00 179.97 179.15 3isa h VAL 212 N -0.39 1.24 0.00 0.20 2.07 -0.81 -3.09 116.25 115.47 3isa h VAL 212 Ca -0.03 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 3isa h VAL 212 Cb 0.30 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3isa h VAL 212 CO 0.05 0.25 -0.51 -0.07 0.02 0.00 0.00 177.57 177.31 3isa h LEU 213 N 1.21 0.00 -9.70 2.57 3.38 -1.15 -3.47 115.31 108.14 3isa h LEU 213 Ca 0.31 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.79 3isa h LEU 213 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3isa h LEU 213 CO -0.06 0.51 0.36 -0.60 0.09 0.00 0.00 178.44 178.74 3isa s ARG 214 N -3.29 4.80 -0.65 1.13 3.52 -1.03 -5.00 118.95 118.42 3isa s ARG 214 Ca 0.01 1.50 -0.23 0.00 -0.13 0.00 0.00 55.73 56.89 3isa s ARG 214 Cb 0.10 -3.30 0.06 0.00 -1.56 0.00 0.00 34.95 30.25 3isa s ARG 214 CO 0.73 0.41 0.98 0.34 -0.81 0.00 0.00 175.30 176.95 3isa s ASP 215 N -0.82 6.19 -0.45 -2.12 2.15 -1.26 -5.02 116.67 115.34 3isa s ASP 215 Ca 0.43 -0.85 -0.22 0.00 0.43 0.00 0.00 52.55 52.33 3isa s ASP 215 Cb -0.26 -2.43 0.03 0.00 -0.30 0.00 0.00 42.92 39.96 3isa s ASP 215 CO 0.32 -1.44 0.76 -0.62 -0.17 0.00 0.00 175.17 174.01 3isa s ASP 216 N 3.56 6.38 -0.31 -0.34 2.15 -1.26 -4.87 116.67 121.99 3isa s ASP 216 Ca 0.24 -0.20 0.15 0.00 0.43 0.00 0.00 52.55 53.17 3isa s ASP 216 Cb -0.16 -2.37 0.47 0.00 -0.30 0.00 0.00 42.92 40.57 3isa s ASP 216 CO 0.12 -0.90 1.10 0.00 -0.17 0.00 0.00 175.17 175.32 3isa n HIS 217 N 6.63 1.97 -0.13 -5.34 1.44 -1.26 -4.91 115.22 113.62 3isa n HIS 217 Ca 0.01 -2.43 -0.08 0.00 -2.01 0.00 0.00 57.72 53.21 3isa n HIS 217 Cb 0.48 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.32 3isa n HIS 217 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 3isa h ASP 218 N 2.56 0.49 -0.45 4.39 3.32 -1.99 -0.88 116.42 123.86 3isa h ASP 218 Ca 0.07 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3isa h ASP 218 Cb 1.28 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 3isa h ASP 218 CO 0.50 0.40 0.07 0.44 -1.72 0.00 0.00 179.24 178.93 3isa h ASP 219 N 0.54 0.72 -0.86 6.45 5.19 -1.99 -0.77 116.42 125.71 3isa h ASP 219 Ca 0.15 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 3isa h ASP 219 Cb -0.00 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.27 3isa h ASP 219 CO -0.03 0.80 0.55 0.00 -3.12 0.00 0.00 179.24 177.45 3isa h ALA 220 N 0.95 1.09 -0.34 3.45 0.00 -1.92 -0.46 119.26 122.03 3isa h ALA 220 Ca 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 220 Cb 0.39 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3isa h ALA 220 CO 0.01 0.51 -0.09 -0.44 0.00 0.00 0.00 179.25 179.24 3isa h ASP 221 N 1.17 0.67 -0.38 0.00 3.32 -0.81 -1.86 116.42 118.52 3isa h ASP 221 Ca 0.31 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 3isa h ASP 221 Cb -0.11 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3isa h ASP 221 CO -0.06 0.88 -0.26 0.25 -1.72 0.00 0.00 179.24 178.32 3isa h LEU 222 N 0.45 0.93 -0.50 1.55 5.85 -1.00 -1.58 115.31 121.00 3isa h LEU 222 Ca 0.09 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3isa h LEU 222 Cb 0.59 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3isa h LEU 222 CO 0.03 1.13 0.27 0.00 -0.34 0.00 0.00 178.44 179.54 3isa h ALA 223 N 0.93 0.65 -0.59 1.25 0.00 -1.05 -0.58 119.26 119.86 3isa h ALA 223 Ca 0.09 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3isa h ALA 223 Cb 0.82 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3isa h ALA 223 CO 0.07 0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.48 3isa h ALA 224 N 1.11 0.85 -0.03 0.00 0.00 -1.23 -0.57 119.26 119.38 3isa h ALA 224 Ca 0.18 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3isa h ALA 224 Cb 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3isa h ALA 224 CO -0.03 0.67 0.01 1.25 0.00 0.00 0.00 179.25 181.15 3isa h LEU 225 N 0.95 0.05 -0.13 0.00 5.85 -1.13 -1.52 115.31 119.38 3isa h LEU 225 Ca 0.17 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3isa h LEU 225 Cb 0.57 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3isa h LEU 225 CO 0.03 0.21 0.07 0.00 -0.34 0.00 0.00 178.44 178.42 3isa h ALA 226 N 0.84 0.16 -0.47 1.25 0.00 -0.83 -1.40 119.26 118.81 3isa h ALA 226 Ca 0.01 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3isa h ALA 226 Cb 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3isa h ALA 226 CO -0.00 -0.37 0.15 0.00 0.00 0.00 0.00 179.25 179.03 3isa h ARG 227 N 0.15 0.31 -0.70 0.00 3.08 -1.13 -0.95 114.38 115.14 3isa h ARG 227 Ca 0.05 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3isa h ARG 227 Cb -0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3isa h ARG 227 CO -0.02 0.20 0.23 0.66 -1.07 0.00 0.00 179.97 179.97 3isa h SER 228 N 0.32 0.99 0.85 7.04 4.64 -0.71 -2.88 113.55 123.80 3isa h SER 228 Ca 0.22 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3isa h SER 228 Cb 0.24 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3isa h SER 228 CO -0.24 0.91 -0.73 0.00 -0.87 0.00 0.00 176.83 175.90 3isa h ALA 229 N 1.22 0.54 -0.01 5.18 0.00 -1.13 -3.34 119.26 121.73 3isa h ALA 229 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3isa h ALA 229 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3isa h ALA 229 CO -0.01 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.72 3isa n ALA 230 N -1.89 3.64 -1.73 0.00 0.00 -0.38 -4.75 120.51 115.41 3isa n ALA 230 Ca 0.03 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 3isa n ALA 230 Cb 0.46 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3isa n ALA 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3isa s GLN 231 N -2.73 4.13 0.32 0.00 -1.52 -1.10 -4.91 119.66 113.85 3isa s GLN 231 Ca 0.16 2.61 -0.27 0.00 -1.95 0.00 0.00 55.36 55.91 3isa s GLN 231 Cb 0.18 -3.17 -0.13 0.00 -0.22 0.00 0.00 33.01 29.67 3isa s GLN 231 CO 0.65 -0.77 0.96 -2.30 -0.25 0.00 0.00 175.29 173.58 3isa n PRO 232 N 4.30 1.26 -0.90 2.91 -0.02 -1.26 -3.10 135.00 138.19 3isa n PRO 232 Ca 0.16 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3isa n PRO 232 Cb 0.36 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3isa n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3isa n GLY 233 N 1.27 0.74 0.19 -1.23 0.00 -1.26 -5.01 105.19 99.90 3isa n GLY 233 Ca 0.10 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 3isa n GLY 233 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3isa h PHE 234 N 0.00 -0.40 -0.95 1.61 3.57 -1.85 -1.86 116.94 117.07 3isa h PHE 234 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3isa h PHE 234 Cb 0.26 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 3isa h PHE 234 CO 0.00 -0.23 0.62 0.87 -2.23 0.00 0.00 178.31 177.34 3isa h LYS 235 N -0.32 1.09 -0.64 1.11 1.57 -1.94 -1.64 116.57 115.80 3isa h LYS 235 Ca 0.01 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3isa h LYS 235 Cb 0.32 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3isa h LYS 235 CO -0.06 0.72 0.08 0.00 -0.57 0.00 0.00 179.45 179.62 3isa h ALA 236 N 1.47 0.93 -0.67 3.86 0.00 -1.94 -0.95 119.26 121.95 3isa h ALA 236 Ca 0.40 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3isa h ALA 236 Cb 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3isa h ALA 236 CO -0.14 0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.90 3isa h ARG 237 N 0.99 1.09 -0.37 0.00 3.08 -0.65 -2.10 114.38 116.43 3isa h ARG 237 Ca 0.19 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3isa h ARG 237 Cb 0.46 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3isa h ARG 237 CO 0.02 0.98 0.18 0.82 -1.07 0.00 0.00 179.97 180.90 3isa h ILE 238 N 1.03 1.17 -0.32 2.04 2.04 -1.12 -2.07 117.51 120.28 3isa h ILE 238 Ca 0.21 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3isa h ILE 238 Cb 0.40 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3isa h ILE 238 CO 0.01 0.18 -0.02 -0.09 0.00 0.00 0.00 178.15 178.22 3isa h ARG 239 N 0.46 0.07 -0.48 2.37 2.43 -0.92 0.11 114.38 118.42 3isa h ARG 239 Ca 0.13 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 3isa h ARG 239 Cb 0.12 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3isa h ARG 239 CO -0.02 0.04 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.04 3isa h ASP 240 N 0.07 0.77 -0.04 -3.80 3.32 -1.29 -2.48 116.42 112.96 3isa h ASP 240 Ca 0.15 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3isa h ASP 240 Cb 0.22 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3isa h ASP 240 CO -0.28 0.84 0.01 0.22 -1.72 0.00 0.00 179.24 178.31 3isa h TYR 241 N 0.74 0.06 0.00 4.55 3.20 -0.92 -3.11 116.97 121.50 3isa h TYR 241 Ca 0.14 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3isa h TYR 241 Cb 0.46 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.71 3isa h TYR 241 CO 0.02 0.22 0.00 1.28 -1.64 0.00 0.00 178.16 178.04 3isa n LEU 242 N -4.97 0.00 0.06 2.82 4.77 0.36 -1.39 117.00 118.65 3isa n LEU 242 Ca -0.07 0.38 0.03 0.00 -0.03 0.00 0.00 56.01 56.33 3isa n LEU 242 Cb 0.12 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 3isa n LEU 242 CO 0.34 -0.26 -0.12 0.00 -1.33 0.00 0.00 177.39 176.01 3isa h ALA 243 N 2.39 0.62 -2.83 -1.18 0.00 -1.39 -3.49 119.26 113.38 3isa h ALA 243 Ca 0.00 -0.58 -0.54 0.00 0.00 0.00 0.00 54.91 53.80 3isa h ALA 243 Cb 0.12 0.17 0.14 0.00 0.00 0.00 0.00 17.79 18.22 3isa h ALA 243 CO 0.00 0.64 0.45 -1.14 0.00 0.00 0.00 179.25 179.20 3isa s GLN 244 N -3.05 2.55 0.00 0.00 2.00 -0.49 -5.13 119.66 115.55 3isa s GLN 244 Ca -0.01 1.84 0.00 0.00 -2.00 0.00 0.00 55.36 55.19 3isa s GLN 244 Cb 0.09 -1.87 0.00 0.00 0.80 0.00 0.00 33.01 32.02 3isa s GLN 244 CO 0.80 -1.54 0.00 -2.30 -0.50 0.00 0.00 175.29 171.75