#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 4.41 0.14 2.46 1.02 -1.26 -5.00 118.68 120.45 3isa s LEU 8 Ca 0.00 1.23 0.25 0.00 0.02 0.00 0.00 54.13 55.62 3isa s LEU 8 Cb 0.00 -3.22 0.93 0.00 0.02 0.00 0.00 46.19 43.92 3isa s LEU 8 CO 0.00 0.15 1.76 -0.81 0.02 0.00 0.00 176.35 177.46 3isa n PRO 9 N 1.10 0.14 -4.41 1.29 -0.04 -1.26 -4.76 135.00 127.05 3isa n PRO 9 Ca -0.06 0.21 -0.21 0.00 -0.04 0.00 0.00 63.50 63.40 3isa n PRO 9 Cb 0.51 -1.70 -0.16 0.00 -0.04 0.00 0.00 33.50 32.12 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 -3.90 1.71 -0.12 1.53 2.96 -1.26 -0.33 118.68 119.27 3isa s LEU 10 Ca 0.10 -0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3isa s LEU 10 Cb 0.13 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 3isa s LEU 10 CO 0.49 0.05 -0.02 0.00 -1.32 0.00 0.00 176.35 175.54 3isa s ALA 11 N 0.35 3.12 -0.17 5.97 0.00 -0.53 -4.94 121.76 125.55 3isa s ALA 11 Ca -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3isa s ALA 11 Cb -0.11 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3isa s ALA 11 CO 0.01 0.39 -0.18 0.42 0.00 0.00 0.00 175.76 176.40 3isa s ILE 12 N -0.21 2.31 -0.21 0.00 1.01 -1.26 -0.63 121.20 122.21 3isa s ILE 12 Ca 0.04 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 3isa s ILE 12 Cb -0.13 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3isa s ILE 12 CO 0.02 0.53 0.06 -0.70 0.00 0.00 0.00 174.94 174.85 3isa s GLU 13 N 1.10 3.82 -0.26 2.79 2.12 -0.24 -4.95 118.70 123.07 3isa s GLU 13 Ca -0.00 -0.41 -0.05 0.00 0.36 0.00 0.00 54.97 54.87 3isa s GLU 13 Cb -0.14 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.02 3isa s GLU 13 CO -0.07 0.08 0.01 1.03 -0.54 0.00 0.00 175.26 175.78 3isa s ARG 14 N 0.88 3.08 0.46 4.30 0.52 -1.26 -0.44 118.95 126.49 3isa s ARG 14 Ca 0.03 -0.84 0.05 0.00 -0.52 0.00 0.00 55.73 54.45 3isa s ARG 14 Cb -0.14 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 3isa s ARG 14 CO 0.02 -0.37 0.08 -0.98 0.02 0.00 0.00 175.30 174.07 3isa s ARG 15 N 1.44 2.13 0.22 3.54 1.70 0.10 -5.02 118.95 123.06 3isa s ARG 15 Ca 0.02 -2.17 -0.08 0.00 -0.47 0.00 0.00 55.73 53.03 3isa s ARG 15 Cb -0.16 -1.70 0.24 0.00 -0.57 0.00 0.00 34.95 32.75 3isa s ARG 15 CO -0.01 -0.24 1.85 -1.35 -1.08 0.00 0.00 175.30 174.47 3isa h PRO 16 N 1.44 0.90 -0.00 3.89 0.11 -2.02 -3.11 132.00 133.21 3isa h PRO 16 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3isa h PRO 16 Cb 1.28 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3isa h PRO 16 CO 0.74 0.60 -0.92 0.00 -0.21 0.00 0.00 178.00 178.21 3isa n ALA 17 N -2.33 4.57 -3.16 -0.75 0.00 -1.26 -4.79 120.51 112.78 3isa n ALA 17 Ca 0.09 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 3isa n ALA 17 Cb 0.11 -0.76 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.90 -0.59 -0.08 0.00 0.00 -1.17 -1.90 121.76 115.11 3isa s ALA 18 Ca 0.09 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.41 3isa s ALA 18 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3isa s ALA 18 CO 0.82 -0.19 -0.15 -1.58 0.00 0.00 0.00 175.76 174.66 3isa s TRP 19 N -0.81 2.72 -0.23 0.00 0.52 -0.17 -0.73 118.94 120.24 3isa s TRP 19 Ca -0.09 -0.40 -0.05 0.00 0.02 0.00 0.00 56.10 55.58 3isa s TRP 19 Cb -0.05 -1.71 -0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3isa s TRP 19 CO 0.02 -0.01 0.01 0.99 0.02 0.00 0.00 176.95 177.98 3isa s THR 20 N -0.25 3.80 -0.43 2.01 2.01 0.42 -0.61 115.64 122.58 3isa s THR 20 Ca 0.01 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 3isa s THR 20 Cb -0.13 -2.76 0.03 0.00 0.01 0.00 0.00 72.50 69.65 3isa s THR 20 CO 0.03 0.38 0.44 -0.36 -0.69 0.00 0.00 174.62 174.41 3isa s PHE 21 N 1.54 3.17 -0.36 4.92 0.08 0.97 -1.08 117.98 127.22 3isa s PHE 21 Ca 0.06 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.53 3isa s PHE 21 Cb -0.15 -2.94 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 3isa s PHE 21 CO -0.00 -0.73 0.24 0.99 -0.10 0.00 0.00 175.22 175.62 3isa s THR 22 N 2.09 5.03 0.03 0.64 2.01 0.20 -1.56 115.64 124.08 3isa s THR 22 Ca 0.11 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 3isa s THR 22 Cb -0.18 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.57 3isa s THR 22 CO 0.13 -0.14 1.63 -0.76 -0.69 0.00 0.00 174.62 174.79 3isa s LEU 23 N 1.66 4.35 -0.52 4.42 1.02 0.44 -1.46 118.68 128.60 3isa s LEU 23 Ca 0.05 2.39 0.07 0.00 0.02 0.00 0.00 54.13 56.66 3isa s LEU 23 Cb -0.18 -3.56 0.33 0.00 0.02 0.00 0.00 46.19 42.81 3isa s LEU 23 CO 0.09 -0.88 0.85 -1.20 0.02 0.00 0.00 176.35 175.24 3isa n SER 24 N 5.95 3.20 -3.20 2.29 7.64 0.55 -0.57 113.62 129.48 3isa n SER 24 Ca 0.16 -3.43 -0.24 0.00 1.01 0.00 0.00 58.87 56.37 3isa n SER 24 Cb 0.41 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.97 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 0.05 1.71 0.23 1.43 1.74 -1.26 -4.41 116.66 116.15 3isa n ARG 25 Ca 0.29 -3.94 0.16 0.00 -0.77 0.00 0.00 57.85 53.59 3isa n ARG 25 Cb 0.48 -1.79 0.66 0.00 -1.02 0.00 0.00 32.46 30.80 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 3.62 0.00 0.00 5.56 0.13 -1.87 0.16 132.00 139.60 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 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3isa h PRO 26 CO 0.63 0.00 -0.46 0.39 -0.23 0.00 0.00 178.00 178.33 3isa n GLU 27 N -2.79 0.14 -0.51 0.86 -0.58 -1.26 -3.69 120.64 112.81 3isa n GLU 27 Ca 0.01 0.05 0.05 0.00 -0.42 0.00 0.00 57.16 56.85 3isa n GLU 27 Cb 0.25 -1.60 0.23 0.00 -0.57 0.00 0.00 31.44 29.76 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 -1.81 2.46 -2.72 3.49 4.76 -0.37 -4.96 118.16 119.01 3isa n LYS 28 Ca 0.05 -2.91 -0.19 0.00 -2.87 0.00 0.00 58.31 52.39 3isa n LYS 28 Cb 0.39 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 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 -0.78 -2.91 -4.09 1.97 1.74 -1.02 -1.37 116.66 110.20 3isa n ARG 29 Ca 0.24 0.77 -0.34 0.00 -0.77 0.00 0.00 57.85 57.75 3isa n ARG 29 Cb 0.91 -5.47 -0.00 0.00 -1.02 0.00 0.00 32.46 26.88 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 -2.11 -3.92 -4.76 0.55 3.02 -0.10 -1.44 115.26 106.50 3isa n ASN 30 Ca -0.15 -0.91 -0.36 0.00 -0.03 0.00 0.00 54.58 53.13 3isa n ASN 30 Cb 0.62 -3.24 0.01 0.00 -0.61 0.00 0.00 39.78 36.57 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 2.75 -0.90 5.41 0.00 -0.47 -3.91 121.76 121.33 3isa s ALA 31 Ca 0.70 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 53.43 3isa s ALA 31 Cb -0.37 -3.41 0.12 0.00 0.00 0.00 0.00 23.12 19.46 3isa s ALA 31 CO 0.89 -0.91 1.12 -0.51 0.00 0.00 0.00 175.76 176.34 3isa s LEU 32 N -3.62 4.94 0.83 0.00 1.43 0.19 -4.75 118.68 117.69 3isa s LEU 32 Ca 0.71 -1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 51.79 3isa s LEU 32 Cb -0.29 -2.41 0.09 0.00 0.03 0.00 0.00 46.19 43.62 3isa s LEU 32 CO 0.33 -1.12 1.09 -0.94 0.23 0.00 0.00 176.35 175.94 3isa s SER 33 N 3.69 4.10 0.30 2.29 1.04 -1.26 -1.72 113.70 122.14 3isa s SER 33 Ca 0.32 1.45 0.00 0.00 0.48 0.00 0.00 55.95 58.20 3isa s SER 33 Cb -0.06 -2.17 0.51 0.00 0.10 0.00 0.00 66.02 64.40 3isa s SER 33 CO -0.07 -2.24 1.93 0.00 0.98 0.00 0.00 173.24 173.84 3isa h ALA 34 N -1.27 1.49 -0.43 5.32 0.00 -1.94 -1.62 119.26 120.81 3isa h ALA 34 Ca -0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 3isa h ALA 34 Cb 1.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3isa h ALA 34 CO 0.56 0.40 0.11 1.49 0.00 0.00 0.00 179.25 181.81 3isa h GLU 35 N 1.05 0.69 -0.46 0.00 4.81 -1.99 -1.53 114.58 117.15 3isa h GLU 35 Ca 0.36 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3isa h GLU 35 Cb 0.11 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3isa h GLU 35 CO -0.12 0.69 0.09 1.25 -0.73 0.00 0.00 179.01 180.19 3isa h LEU 36 N 0.56 0.72 -0.14 1.64 5.85 -1.82 -0.51 115.31 121.60 3isa h LEU 36 Ca 0.13 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3isa h LEU 36 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3isa h LEU 36 CO 0.00 0.78 -0.02 0.58 -0.34 0.00 0.00 178.44 179.44 3isa h VAL 37 N 0.62 0.88 -0.79 1.05 2.07 -1.19 0.05 116.25 118.94 3isa h VAL 37 Ca 0.14 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 3isa h VAL 37 Cb 0.36 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3isa h VAL 37 CO 0.01 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.75 3isa h GLU 38 N 0.02 1.07 -0.62 1.57 4.39 -1.15 0.13 114.58 119.99 3isa h GLU 38 Ca 0.07 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.72 3isa h GLU 38 Cb 0.09 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 28.47 3isa h GLU 38 CO -0.13 0.76 0.34 0.00 -1.16 0.00 0.00 179.01 178.82 3isa h ALA 39 N 1.26 0.82 -0.22 3.43 0.00 -0.79 0.38 119.26 124.14 3isa h ALA 39 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3isa h ALA 39 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3isa h ALA 39 CO -0.05 0.02 0.07 -0.07 0.00 0.00 0.00 179.25 179.22 3isa h LEU 40 N 0.65 0.32 -0.20 0.00 3.38 -0.48 -1.18 115.31 117.79 3isa h LEU 40 Ca 0.27 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3isa h LEU 40 Cb 0.15 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3isa h LEU 40 CO -0.17 0.43 0.01 0.40 0.09 0.00 0.00 178.44 179.21 3isa h ILE 41 N 0.19 0.87 -0.42 1.22 2.04 -0.76 0.75 117.51 121.41 3isa h ILE 41 Ca 0.07 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.91 3isa h ILE 41 Cb 0.23 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3isa h ILE 41 CO -0.00 0.01 0.27 0.44 0.00 0.00 0.00 178.15 178.87 3isa h ASP 42 N 0.08 0.46 -0.54 1.72 3.32 -0.85 0.28 116.42 120.88 3isa h ASP 42 Ca 0.09 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3isa h ASP 42 Cb 0.11 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3isa h ASP 42 CO -0.15 0.33 0.21 1.23 -1.72 0.00 0.00 179.24 179.15 3isa h GLY 43 N 0.55 0.88 1.09 2.75 0.00 -1.02 -0.82 103.07 106.50 3isa h GLY 43 Ca 0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3isa h GLY 43 CO -0.04 0.45 -0.16 -2.08 0.00 0.00 0.00 176.54 174.71 3isa h VAL 44 N 0.74 1.27 -0.81 4.60 2.07 -0.64 -1.50 116.25 121.98 3isa h VAL 44 Ca 0.18 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 3isa h VAL 44 Cb 0.21 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3isa h VAL 44 CO -0.01 0.46 0.34 0.44 0.02 0.00 0.00 177.57 178.82 3isa h ASP 45 N 0.85 1.10 -0.23 0.57 3.32 -0.78 -1.01 116.42 120.24 3isa h ASP 45 Ca 0.12 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3isa h ASP 45 Cb 0.74 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3isa h ASP 45 CO 0.06 0.96 0.06 0.00 -1.72 0.00 0.00 179.24 178.59 3isa h ALA 46 N 1.20 0.30 -0.80 3.45 0.00 -0.97 -1.52 119.26 120.93 3isa h ALA 46 Ca 0.27 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3isa h ALA 46 Cb 0.19 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3isa h ALA 46 CO -0.03 -0.05 0.53 0.00 0.00 0.00 0.00 179.25 179.70 3isa h ALA 47 N 0.87 1.56 -0.20 0.00 0.00 -1.15 -0.70 119.26 119.65 3isa h ALA 47 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3isa h ALA 47 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3isa h ALA 47 CO 0.00 0.34 0.07 1.25 0.00 0.00 0.00 179.25 180.90 3isa h HIS 48 N 0.93 0.32 -0.74 0.00 6.17 -0.83 -0.58 115.15 120.43 3isa h HIS 48 Ca 0.33 -0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.36 3isa h HIS 48 Cb 0.13 -0.09 -0.04 0.00 2.52 0.00 0.00 27.41 29.93 3isa h HIS 48 CO -0.00 0.39 0.39 0.00 0.71 0.00 0.00 177.93 179.42 3isa h ARG 49 N 0.16 1.03 0.00 5.26 3.08 -0.88 -2.20 114.38 120.83 3isa h ARG 49 Ca 0.07 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3isa h ARG 49 Cb 0.21 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3isa h ARG 49 CO -0.00 0.77 0.00 0.39 -1.07 0.00 0.00 179.97 180.05 3isa n GLU 50 N -4.35 0.09 -3.80 0.04 -0.58 -0.30 -4.94 120.64 106.79 3isa n GLU 50 Ca 0.07 0.12 -0.25 0.00 -0.42 0.00 0.00 57.16 56.68 3isa n GLU 50 Cb 0.11 -1.61 0.03 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 -1.76 -5.11 -1.69 3.49 6.02 -0.27 -4.93 117.38 113.13 3isa n GLN 51 Ca 0.06 0.60 -0.43 0.00 -0.01 0.00 0.00 57.00 57.22 3isa n GLN 51 Cb 0.34 -5.28 -0.03 0.00 1.02 0.00 0.00 30.24 26.29 3isa n GLN 51 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3isa n VAL 52 N -4.46 0.34 -0.26 5.09 0.31 -0.92 -4.91 118.33 113.52 3isa n VAL 52 Ca -0.16 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 3isa n VAL 52 Cb 0.61 -2.06 0.11 0.00 -0.91 0.00 0.00 33.84 31.59 3isa n VAL 52 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3isa h PRO 53 N 8.33 0.78 -4.53 5.55 0.11 -1.87 -3.40 132.00 136.97 3isa h PRO 53 Ca -0.46 -0.05 -0.48 0.00 0.11 0.00 0.00 66.00 65.12 3isa h PRO 53 Cb 1.23 -0.18 -0.33 0.00 0.11 0.00 0.00 31.00 31.83 3isa h PRO 53 CO 0.94 0.52 -0.80 -1.17 -0.21 0.00 0.00 178.00 177.28 3isa s LEU 54 N -10.23 1.64 -0.16 2.35 2.96 -0.80 -0.52 118.68 113.92 3isa s LEU 54 Ca -0.13 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3isa s LEU 54 Cb 0.17 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 3isa s LEU 54 CO 0.77 0.04 -0.08 -0.76 -1.32 0.00 0.00 176.35 175.00 3isa s LEU 55 N 0.56 2.92 -0.10 -0.68 1.43 -0.25 -1.00 118.68 121.57 3isa s LEU 55 Ca -0.11 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3isa s LEU 55 Cb -0.14 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3isa s LEU 55 CO 0.02 0.12 -0.12 -0.69 0.23 0.00 0.00 176.35 175.91 3isa s VAL 56 N 0.64 3.19 -0.09 -1.59 1.01 0.22 -0.53 120.40 123.25 3isa s VAL 56 Ca -0.05 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3isa s VAL 56 Cb -0.15 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3isa s VAL 56 CO 0.03 0.55 -0.24 -0.36 0.00 0.00 0.00 175.10 175.08 3isa s PHE 57 N -0.13 2.51 0.15 5.22 0.08 0.83 -0.02 117.98 126.62 3isa s PHE 57 Ca -0.01 -0.97 -0.10 0.00 0.12 0.00 0.00 56.93 55.97 3isa s PHE 57 Cb -0.13 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 3isa s PHE 57 CO 0.03 -0.38 0.30 0.00 -0.10 0.00 0.00 175.22 175.08 3isa s ALA 58 N 0.25 -0.19 -0.06 5.36 0.00 -0.60 -1.83 121.76 124.68 3isa s ALA 58 Ca -0.16 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3isa s ALA 58 Cb -0.17 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 3isa s ALA 58 CO 0.08 -0.65 -0.20 0.20 0.00 0.00 0.00 175.76 175.20 3isa s GLY 59 N -2.93 1.07 0.46 0.00 0.00 -1.26 -0.42 107.32 104.24 3isa s GLY 59 Ca 0.14 -0.78 -0.22 0.00 0.00 0.00 0.00 44.72 43.86 3isa s GLY 59 CO -0.03 -0.33 1.07 0.00 0.00 0.00 0.00 173.10 173.82 3isa s ALA 60 N 0.17 2.94 0.00 3.20 0.00 0.27 -4.71 121.76 123.62 3isa s ALA 60 Ca -0.09 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3isa s ALA 60 Cb -0.14 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3isa s ALA 60 CO 0.04 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3isa n GLY 61 N 0.10 0.62 0.13 0.00 0.00 -1.26 -4.34 105.19 100.44 3isa n GLY 61 Ca 0.08 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 1.61 2.47 -1.89 -3.48 114.38 113.09 3isa h ARG 62 Ca 0.00 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 3isa h ARG 62 Cb 0.00 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 3isa h ARG 62 CO 0.00 0.00 -0.16 0.27 0.56 0.00 0.00 179.97 180.64 3isa n ASN 63 N -2.54 -1.16 -0.03 7.04 6.94 -1.26 -3.40 115.26 120.85 3isa n ASN 63 Ca 0.04 -2.71 -0.00 0.00 -0.02 0.00 0.00 54.58 51.88 3isa n ASN 63 Cb 0.48 2.19 -0.00 0.00 -2.36 0.00 0.00 39.78 40.10 3isa n ASN 63 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3isa h PHE 64 N 1.91 0.00 -1.66 -2.53 3.57 -1.76 -3.38 116.94 113.08 3isa h PHE 64 Ca -0.24 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.31 3isa h PHE 64 Cb 1.06 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 39.55 3isa h PHE 64 CO 0.00 0.00 0.42 0.45 -2.23 0.00 0.00 178.31 176.95 3isa s SER 65 N -4.63 -0.48 -0.00 0.41 0.15 -1.26 -4.37 113.70 103.52 3isa s SER 65 Ca -0.00 0.84 0.15 0.00 0.70 0.00 0.00 55.95 57.64 3isa s SER 65 Cb 0.00 0.82 0.45 0.00 -1.71 0.00 0.00 66.02 65.58 3isa s SER 65 CO 0.00 -0.22 1.37 0.00 1.20 0.00 0.00 173.24 175.59 3isa n ALA 66 N 1.91 2.44 -0.21 5.45 0.00 -0.52 -1.78 120.51 127.81 3isa n ALA 66 Ca -0.13 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.42 3isa n ALA 66 Cb 0.56 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 1.29 -0.51 3.59 0.00 0.00 -0.97 -4.41 105.19 104.18 3isa n GLY 67 Ca 0.17 -1.10 -0.50 0.00 0.00 0.00 0.00 46.02 44.58 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 1.48 -2.63 1.61 7.35 -1.26 0.53 117.46 124.54 3isa n PHE 68 Ca 0.00 0.63 -0.42 0.00 -0.76 0.00 0.00 57.45 56.90 3isa n PHE 68 Cb 0.00 -2.32 -0.03 0.00 0.35 0.00 0.00 39.48 37.48 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 0.31 6.37 0.00 -2.13 -1.08 -0.70 -4.60 116.67 114.83 3isa s ASP 69 Ca 0.80 -0.12 0.16 0.00 -0.52 0.00 0.00 52.55 52.87 3isa s ASP 69 Cb -0.90 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 38.66 3isa s ASP 69 CO 0.48 -1.50 1.45 0.49 0.52 0.00 0.00 175.17 176.61 3isa n PHE 70 N 8.42 0.22 -1.69 -5.34 3.72 -1.26 -4.84 117.46 116.68 3isa n PHE 70 Ca 0.06 -0.11 -0.43 0.00 -0.05 0.00 0.00 57.45 56.92 3isa n PHE 70 Cb 0.49 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.09 0.20 -2.91 4.37 -1.04 -1.26 -2.40 114.28 111.34 3isa n THR 71 Ca 0.13 -0.04 -0.21 0.00 -2.04 0.00 0.00 64.05 61.89 3isa n THR 71 Cb 0.24 -1.95 0.01 0.00 -1.82 0.00 0.00 70.33 66.81 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 4.78 -5.30 0.26 8.00 8.00 -1.26 -4.87 116.55 126.17 3isa n ASP 72 Ca 0.18 -0.20 0.14 0.00 0.71 0.00 0.00 54.79 55.61 3isa n ASP 72 Cb 0.34 -4.35 0.71 0.00 -0.02 0.00 0.00 41.12 37.81 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 -0.87 0.00 0.00 1.24 -0.00 -1.80 -2.67 116.97 112.87 3isa h TYR 73 Ca -0.47 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.23 3isa h TYR 73 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.06 3isa h TYR 73 CO 0.59 0.12 -0.13 1.05 -0.00 0.00 0.00 178.16 179.79 3isa h GLU 74 N 0.00 0.00 -0.23 0.10 9.09 -1.89 -1.29 114.58 120.36 3isa h GLU 74 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3isa h GLU 74 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 3isa h GLU 74 CO 0.02 0.13 0.00 0.25 0.05 0.00 0.00 179.01 179.46 3isa n THR 75 N -4.11 0.29 -3.73 -1.06 -2.24 -1.01 -4.85 114.28 97.56 3isa n THR 75 Ca -0.02 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 3isa n THR 75 Cb 0.21 0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 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 -1.71 3.86 0.80 -0.78 -1.52 -0.49 -5.10 119.66 114.71 3isa s GLN 76 Ca 0.34 -0.06 -0.11 0.00 -1.95 0.00 0.00 55.36 53.58 3isa s GLN 76 Cb 0.19 -3.30 0.07 0.00 -0.22 0.00 0.00 33.01 29.75 3isa s GLN 76 CO 0.28 0.53 1.10 -1.54 -0.25 0.00 0.00 175.29 175.42 3isa s SER 77 N -0.36 4.48 0.36 5.90 1.04 -1.26 -4.86 113.70 119.00 3isa s SER 77 Ca 0.14 1.31 0.06 0.00 0.48 0.00 0.00 55.95 57.94 3isa s SER 77 Cb -0.12 -2.04 0.74 0.00 0.10 0.00 0.00 66.02 64.70 3isa s SER 77 CO 0.03 -1.98 1.97 -0.08 0.98 0.00 0.00 173.24 174.16 3isa h GLU 78 N -1.09 0.73 -0.49 4.02 4.81 -1.99 -1.42 114.58 119.15 3isa h GLU 78 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3isa h GLU 78 Cb 1.27 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3isa h GLU 78 CO 0.59 0.48 0.18 0.78 -0.73 0.00 0.00 179.01 180.31 3isa h GLY 79 N 0.75 0.80 0.73 1.92 0.00 -1.93 -0.67 103.07 104.67 3isa h GLY 79 Ca 0.30 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.22 3isa h GLY 79 CO -0.09 0.43 0.34 -0.55 0.00 0.00 0.00 176.54 176.66 3isa h ASP 80 N 0.66 0.51 -0.49 0.19 3.32 -1.71 -0.08 116.42 118.82 3isa h ASP 80 Ca 0.16 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3isa h ASP 80 Cb 0.23 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3isa h ASP 80 CO -0.01 0.34 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.68 3isa h LEU 81 N 0.64 0.94 -0.00 1.55 3.38 -1.08 -2.22 115.31 118.52 3isa h LEU 81 Ca 0.27 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3isa h LEU 81 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3isa h LEU 81 CO -0.16 1.07 -0.08 0.25 0.09 0.00 0.00 178.44 179.62 3isa h LEU 82 N 0.79 -0.22 -0.50 1.67 5.85 -0.70 -1.13 115.31 121.06 3isa h LEU 82 Ca 0.13 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3isa h LEU 82 Cb 0.65 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 3isa h LEU 82 CO 0.05 -0.12 0.16 0.25 -0.34 0.00 0.00 178.44 178.44 3isa h LEU 83 N -0.14 0.14 -0.75 2.25 5.85 -0.95 0.15 115.31 121.86 3isa h LEU 83 Ca 0.03 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3isa h LEU 83 Cb 0.18 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3isa h LEU 83 CO -0.08 0.10 0.19 0.03 -0.34 0.00 0.00 178.44 178.34 3isa h ARG 84 N 0.33 1.14 -0.54 1.25 3.08 -1.20 -0.57 114.38 117.87 3isa h ARG 84 Ca 0.25 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3isa h ARG 84 Cb 0.28 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3isa h ARG 84 CO -0.27 0.99 0.06 0.52 -1.07 0.00 0.00 179.97 180.20 3isa h MET 85 N 1.08 0.91 -0.65 0.04 2.86 -0.51 -1.52 114.93 117.15 3isa h MET 85 Ca 0.23 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3isa h MET 85 Cb 0.35 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3isa h MET 85 CO -0.00 0.90 0.42 0.28 1.06 0.00 0.00 176.91 179.57 3isa h VAL 86 N 0.79 1.18 -0.45 -2.22 2.07 -0.36 -1.21 116.25 116.05 3isa h VAL 86 Ca 0.16 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3isa h VAL 86 Cb 0.45 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3isa h VAL 86 CO 0.02 0.17 0.01 0.03 0.02 0.00 0.00 177.57 177.82 3isa h ARG 87 N 0.89 0.72 -0.39 1.57 2.47 -0.95 -0.03 114.38 118.66 3isa h ARG 87 Ca 0.24 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3isa h ARG 87 Cb -0.08 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 3isa h ARG 87 CO -0.05 0.73 0.24 0.82 0.56 0.00 0.00 179.97 182.27 3isa h ILE 88 N 0.68 1.12 -0.47 2.04 2.04 -0.86 -0.81 117.51 121.24 3isa h ILE 88 Ca 0.14 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3isa h ILE 88 Cb 0.40 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3isa h ILE 88 CO 0.01 0.12 -0.12 -0.08 0.00 0.00 0.00 178.15 178.09 3isa h GLU 89 N 0.52 0.88 -0.84 2.37 4.57 -0.67 0.35 114.58 121.75 3isa h GLU 89 Ca 0.14 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3isa h GLU 89 Cb -0.02 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 3isa h GLU 89 CO -0.03 0.95 0.47 0.52 -1.18 0.00 0.00 179.01 179.75 3isa h MET 90 N 0.79 1.17 -0.19 1.92 2.86 -0.82 -0.15 114.93 120.50 3isa h MET 90 Ca 0.13 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3isa h MET 90 Cb 0.64 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3isa h MET 90 CO 0.04 0.85 0.09 1.25 1.06 0.00 0.00 176.91 180.20 3isa h LEU 91 N 1.17 0.25 -1.06 1.22 5.85 -0.73 -1.61 115.31 120.40 3isa h LEU 91 Ca 0.30 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3isa h LEU 91 Cb 0.01 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3isa h LEU 91 CO -0.05 0.31 0.63 -0.07 -0.34 0.00 0.00 178.44 178.92 3isa h LEU 92 N 0.18 1.05 -0.37 2.25 3.38 -0.50 -1.03 115.31 120.26 3isa h LEU 92 Ca 0.07 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 3isa h LEU 92 Cb 0.13 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3isa h LEU 92 CO -0.01 0.71 -0.74 1.56 0.09 0.00 0.00 178.44 180.06 3isa h GLN 93 N 1.21 0.46 -0.57 1.13 4.20 -0.87 0.33 115.11 121.00 3isa h GLN 93 Ca 0.39 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3isa h GLN 93 Cb 0.02 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3isa h GLN 93 CO -0.12 1.01 0.26 0.00 -0.67 0.00 0.00 178.83 179.30 3isa h ARG 94 N 0.31 0.83 -0.01 1.46 3.08 -0.91 -0.86 114.38 118.29 3isa h ARG 94 Ca -0.03 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3isa h ARG 94 Cb 1.32 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3isa h ARG 94 CO 0.13 0.70 -0.00 0.28 -1.07 0.00 0.00 179.97 180.01 3isa h VAL 95 N 0.78 1.25 -0.58 2.04 2.07 -1.05 -2.55 116.25 118.21 3isa h VAL 95 Ca 0.19 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3isa h VAL 95 Cb 0.15 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3isa h VAL 95 CO -0.02 0.20 0.30 0.00 0.02 0.00 0.00 177.57 178.07 3isa h ALA 96 N 0.68 1.45 -0.51 1.67 0.00 -0.88 -2.26 119.26 119.40 3isa h ALA 96 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3isa h ALA 96 Cb 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3isa h ALA 96 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3isa n GLY 97 N -1.24 1.92 3.72 0.00 0.00 -0.33 -5.00 105.19 104.26 3isa n GLY 97 Ca 0.05 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 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 0.91 3.59 0.28 1.61 2.88 -0.85 -4.91 113.62 117.13 3isa n SER 98 Ca 0.19 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 59.03 3isa n SER 98 Cb 0.62 -1.55 0.80 0.00 -0.75 0.00 0.00 64.21 63.34 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 4.87 0.00 -7.04 -1.46 0.11 -1.90 -3.44 132.00 123.13 3isa h PRO 99 Ca -0.46 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.17 3isa h PRO 99 Cb 1.24 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.37 3isa h PRO 99 CO 0.80 0.06 0.40 -1.12 -0.21 0.00 0.00 178.00 177.93 3isa s SER 100 N -5.77 6.41 0.47 -2.05 0.01 -1.26 -4.24 113.70 107.26 3isa s SER 100 Ca -0.02 1.98 -0.24 0.00 1.31 0.00 0.00 55.95 58.99 3isa s SER 100 Cb 0.11 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 3isa s SER 100 CO 0.54 -0.73 1.28 -0.22 0.41 0.00 0.00 173.24 174.51 3isa s LEU 101 N -3.28 4.03 -0.02 2.44 2.96 0.32 -4.88 118.68 120.24 3isa s LEU 101 Ca 0.65 2.59 0.05 0.00 -0.22 0.00 0.00 54.13 57.20 3isa s LEU 101 Cb -0.18 -4.13 -0.01 0.00 0.50 0.00 0.00 46.19 42.36 3isa s LEU 101 CO 0.22 -1.12 -0.16 0.42 -1.32 0.00 0.00 176.35 174.39 3isa s THR 102 N -1.36 1.30 -0.03 3.68 -4.23 -1.26 -1.09 115.64 112.64 3isa s THR 102 Ca 0.64 -0.68 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 3isa s THR 102 Cb -0.36 -1.10 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3isa s THR 102 CO 0.44 0.37 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.61 3isa s LEU 103 N -0.18 1.59 -0.00 4.79 2.96 0.31 -1.02 118.68 127.13 3isa s LEU 103 Ca 0.02 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3isa s LEU 103 Cb -0.08 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.09 3isa s LEU 103 CO 0.00 0.01 -0.16 0.00 -1.32 0.00 0.00 176.35 174.88 3isa s ALA 104 N 0.53 1.34 -0.22 5.97 0.00 -0.08 -0.12 121.76 129.19 3isa s ALA 104 Ca -0.08 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3isa s ALA 104 Cb -0.11 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.75 3isa s ALA 104 CO 0.01 0.32 0.00 -0.51 0.00 0.00 0.00 175.76 175.57 3isa s LEU 105 N -0.54 1.86 0.09 0.00 1.43 -0.76 -1.33 118.68 119.43 3isa s LEU 105 Ca 0.06 -1.03 0.06 0.00 -1.03 0.00 0.00 54.13 52.19 3isa s LEU 105 Cb -0.07 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 3isa s LEU 105 CO -0.00 -0.28 -0.05 0.00 0.23 0.00 0.00 176.35 176.24 3isa s ALA 106 N 1.64 3.12 0.27 4.21 0.00 -0.26 -4.39 121.76 126.34 3isa s ALA 106 Ca -0.02 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 3isa s ALA 106 Cb -0.18 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3isa s ALA 106 CO -0.08 0.67 0.40 -3.38 0.00 0.00 0.00 175.76 173.37 3isa s HIS 107 N -1.24 0.78 0.00 0.00 -3.43 -1.26 -1.62 115.29 108.52 3isa s HIS 107 Ca 0.23 -1.07 0.00 0.00 -0.80 0.00 0.00 55.06 53.42 3isa s HIS 107 Cb -0.11 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 30.97 3isa s HIS 107 CO 0.15 -0.97 0.00 0.41 -2.00 0.00 0.00 174.74 172.34 3isa n GLY 108 N -0.42 0.92 3.62 -1.38 0.00 -1.22 -2.46 105.19 104.25 3isa n GLY 108 Ca 0.00 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 3.96 0.03 1.61 0.52 -1.26 -1.28 118.95 122.53 3isa s ARG 109 Ca 0.00 -0.34 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 3isa s ARG 109 Cb 0.00 -3.31 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 3isa s ARG 109 CO 0.00 0.16 -0.21 -0.80 0.02 0.00 0.00 175.30 174.47 3isa s ASN 110 N 0.70 2.48 0.02 0.23 0.01 -0.50 -4.68 114.94 113.20 3isa s ASN 110 Ca 0.05 -0.50 0.01 0.00 -0.71 0.00 0.00 52.86 51.71 3isa s ASN 110 Cb -0.13 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.29 3isa s ASN 110 CO 0.02 0.18 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.39 3isa s PHE 111 N -0.74 0.35 0.00 2.20 0.08 -0.73 -1.51 117.98 117.62 3isa s PHE 111 Ca 0.08 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.73 3isa s PHE 111 Cb -0.09 -0.23 0.00 0.00 -0.57 0.00 0.00 43.02 42.13 3isa s PHE 111 CO 0.01 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.43 3isa n GLY 112 N 1.94 3.22 0.37 4.36 0.00 0.40 -0.75 105.19 114.74 3isa n GLY 112 Ca -0.21 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.59 2.03 -0.45 4.61 0.00 -1.90 0.85 119.26 123.81 3isa h ALA 113 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 113 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3isa h ALA 113 CO 0.00 -0.56 0.28 0.78 0.00 0.00 0.00 179.25 179.75 3isa h GLY 114 N 0.00 0.64 1.57 0.00 0.00 -1.16 0.51 103.07 104.62 3isa h GLY 114 Ca 0.16 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 3isa h GLY 114 CO -0.00 0.25 -0.39 -2.08 0.00 0.00 0.00 176.54 174.31 3isa h VAL 115 N 0.60 1.30 -0.42 4.60 2.07 -0.85 -2.49 116.25 121.06 3isa h VAL 115 Ca 0.16 -1.54 -0.12 0.00 0.82 0.00 0.00 66.70 66.03 3isa h VAL 115 Cb -0.04 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3isa h VAL 115 CO -0.03 0.48 -0.20 0.44 0.02 0.00 0.00 177.57 178.28 3isa h ASP 116 N 0.40 0.85 -0.16 0.57 3.32 -1.00 0.12 116.42 120.52 3isa h ASP 116 Ca 0.04 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.78 3isa h ASP 116 Cb 0.87 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3isa h ASP 116 CO 0.07 1.03 0.09 0.25 -1.72 0.00 0.00 179.24 178.96 3isa h LEU 117 N 0.73 0.20 -0.58 1.55 5.85 -0.79 -0.97 115.31 121.30 3isa h LEU 117 Ca 0.10 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.82 3isa h LEU 117 Cb 0.73 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3isa h LEU 117 CO 0.06 0.24 0.21 0.15 -0.34 0.00 0.00 178.44 178.76 3isa h PHE 118 N 0.16 0.37 0.00 1.25 3.57 -1.24 -2.58 116.94 118.47 3isa h PHE 118 Ca 0.06 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 3isa h PHE 118 Cb 0.08 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3isa h PHE 118 CO -0.04 0.10 -0.32 0.00 -2.23 0.00 0.00 178.31 175.83 3isa h ALA 119 N 1.40 1.44 0.00 2.41 0.00 -0.41 -2.76 119.26 121.34 3isa h ALA 119 Ca 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 119 Cb 0.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3isa h ALA 119 CO -0.29 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.31 3isa h ALA 120 N 1.68 1.04 -2.33 0.00 0.00 -0.76 -3.43 119.26 115.45 3isa h ALA 120 Ca -0.00 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.39 3isa h ALA 120 Cb 0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3isa h ALA 120 CO 0.04 0.06 0.21 0.00 0.00 0.00 0.00 179.25 179.56 3isa h LYS 122 N 2.64 0.34 -4.89 0.00 1.79 -1.77 -3.42 116.57 111.26 3isa h LYS 122 Ca -0.48 -0.41 -0.65 0.00 -2.18 0.00 0.00 60.65 56.93 3isa h LYS 122 Cb 1.18 0.13 -0.20 0.00 -1.58 0.00 0.00 32.23 31.76 3isa h LYS 122 CO 0.64 1.11 -0.56 -1.58 -1.08 0.00 0.00 179.45 177.98 3isa s TRP 123 N -3.00 3.16 -0.12 -1.35 0.52 -0.19 -5.00 118.94 112.96 3isa s TRP 123 Ca -0.14 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 55.77 3isa s TRP 123 Cb 0.02 -2.33 0.02 0.00 -1.15 0.00 0.00 33.47 30.03 3isa s TRP 123 CO 0.81 -0.29 -0.13 1.03 0.02 0.00 0.00 176.95 178.38 3isa s ARG 124 N 1.68 2.09 0.11 4.98 0.52 -1.26 -0.90 118.95 126.16 3isa s ARG 124 Ca 0.06 -0.49 0.06 0.00 -0.52 0.00 0.00 55.73 54.84 3isa s ARG 124 Cb -0.16 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.38 3isa s ARG 124 CO 0.07 -0.17 -0.14 0.71 0.02 0.00 0.00 175.30 175.79 3isa s TYR 125 N 1.33 1.37 0.06 -0.53 2.02 -0.44 -0.18 117.35 120.98 3isa s TYR 125 Ca 0.00 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.15 3isa s TYR 125 Cb -0.14 -0.73 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 3isa s TYR 125 CO -0.07 0.12 0.04 0.00 -1.57 0.00 0.00 175.55 174.07 3isa s THR 127 N -3.88 3.25 0.53 0.00 -4.23 -0.64 -0.66 115.64 110.01 3isa s THR 127 Ca 0.06 0.48 0.22 0.00 -1.18 0.00 0.00 61.69 61.28 3isa s THR 127 Cb 0.07 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 71.29 3isa s THR 127 CO -0.10 -0.45 2.05 -0.65 -0.54 0.00 0.00 174.62 174.92 3isa h PRO 128 N -0.62 0.00 -0.48 3.99 0.11 -1.93 -2.34 132.00 130.73 3isa h PRO 128 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.52 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 3isa n GLU 129 N -4.42 2.37 -2.24 1.05 1.02 -1.26 -4.48 120.64 112.68 3isa n GLU 129 Ca 0.05 -2.11 -0.38 0.00 -0.02 0.00 0.00 57.16 54.71 3isa n GLU 129 Cb 0.44 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.36 3isa n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3isa s ALA 130 N -1.36 3.08 0.17 0.62 0.00 -0.88 -4.60 121.76 118.78 3isa s ALA 130 Ca 0.39 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.40 3isa s ALA 130 Cb 0.21 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3isa s ALA 130 CO 0.29 -0.63 -0.12 0.20 0.00 0.00 0.00 175.76 175.51 3isa s GLY 131 N -1.18 1.20 0.01 0.00 0.00 -0.41 -1.86 107.32 105.07 3isa s GLY 131 Ca 0.60 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.77 3isa s GLY 131 CO 0.38 -1.66 -0.02 -1.36 0.00 0.00 0.00 173.10 170.44 3isa s PHE 132 N -3.19 0.21 -0.20 1.90 0.08 -0.19 -1.41 117.98 115.17 3isa s PHE 132 Ca 0.19 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.96 3isa s PHE 132 Cb 0.01 -0.14 0.06 0.00 -0.57 0.00 0.00 43.02 42.39 3isa s PHE 132 CO 0.03 -0.05 0.48 0.50 -0.10 0.00 0.00 175.22 176.09 3isa s ARG 133 N -0.45 0.48 -0.51 0.44 3.52 -0.57 -0.77 118.95 121.10 3isa s ARG 133 Ca -0.04 0.90 -0.00 0.00 -0.13 0.00 0.00 55.73 56.46 3isa s ARG 133 Cb -0.03 0.03 0.13 0.00 -1.56 0.00 0.00 34.95 33.52 3isa s ARG 133 CO -0.00 -0.15 0.29 -1.64 -0.81 0.00 0.00 175.30 172.98 3isa s MET 134 N 1.42 2.14 0.00 5.12 -1.94 -1.26 -0.45 119.30 124.33 3isa s MET 134 Ca -0.09 -2.28 0.23 0.00 -1.71 0.00 0.00 55.69 51.83 3isa s MET 134 Cb -0.07 -3.53 0.52 0.00 2.01 0.00 0.00 34.83 33.76 3isa s MET 134 CO -0.14 -1.10 1.45 -0.35 -0.01 0.00 0.00 175.02 174.86 3isa n PRO 135 N 3.79 2.21 0.26 2.03 -0.04 -1.26 -4.62 135.00 137.37 3isa n PRO 135 Ca 0.04 -1.81 0.09 0.00 -0.04 0.00 0.00 63.50 61.78 3isa n PRO 135 Cb 0.38 -1.47 0.67 0.00 -0.04 0.00 0.00 33.50 33.04 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 4.73 0.00 2.00 0.55 0.00 -1.93 -1.38 103.07 107.04 3isa h GLY 136 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3isa h GLY 136 CO 0.00 0.00 -0.05 1.41 0.00 0.00 0.00 176.54 177.90 3isa h LEU 137 N 0.00 0.00 -2.03 3.11 3.38 -1.81 -0.27 115.31 117.69 3isa h LEU 137 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3isa h LEU 137 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3isa h LEU 137 CO 0.01 0.05 0.14 0.11 0.09 0.00 0.00 178.44 178.84 3isa h LYS 138 N 0.00 0.00 -0.21 1.13 1.79 -1.58 -1.17 116.57 116.53 3isa h LYS 138 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3isa h LYS 138 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3isa h LYS 138 CO 0.01 0.00 0.00 1.97 -1.08 0.00 0.00 179.45 180.35 3isa n PHE 139 N -4.43 0.76 -0.71 -1.35 1.16 -0.54 -4.97 117.46 107.38 3isa n PHE 139 Ca 0.02 -0.89 0.00 0.00 -1.87 0.00 0.00 57.45 54.71 3isa n PHE 139 Cb 0.28 -0.28 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 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 -0.66 0.64 3.72 4.97 0.00 -0.44 -4.75 105.19 108.67 3isa n GLY 140 Ca 0.20 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 4.43 -0.60 0.99 2.96 -0.23 -4.72 118.68 121.51 3isa s LEU 141 Ca 0.00 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 3isa s LEU 141 Cb 0.00 -3.45 0.15 0.00 0.50 0.00 0.00 46.19 43.40 3isa s LEU 141 CO 0.00 -0.12 0.39 -0.69 -1.32 0.00 0.00 176.35 174.61 3isa s VAL 142 N 0.40 3.27 -0.06 1.68 1.01 -1.26 -3.19 120.40 122.24 3isa s VAL 142 Ca 0.46 -3.21 0.01 0.00 0.00 0.00 0.00 61.98 59.23 3isa s VAL 142 Cb -0.21 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3isa s VAL 142 CO 0.26 -0.86 -0.06 -0.22 0.00 0.00 0.00 175.10 174.22 3isa s LEU 143 N -0.29 1.24 0.00 3.92 2.96 -1.26 -3.55 118.68 121.71 3isa s LEU 143 Ca 0.18 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3isa s LEU 143 Cb -0.21 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 45.89 3isa s LEU 143 CO -0.03 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 3isa n GLY 144 N 4.33 0.41 0.29 7.98 0.00 -1.26 -4.93 105.19 112.01 3isa n GLY 144 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 0.45 -0.27 2.61 2.02 -1.98 -0.05 112.91 115.68 3isa h THR 145 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 3isa h THR 145 Cb 0.25 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3isa h THR 145 CO 0.00 0.00 -0.44 0.03 0.37 0.00 0.00 175.52 175.48 3isa h ARG 146 N -0.48 0.69 -0.73 6.66 3.08 -1.98 -1.11 114.38 120.51 3isa h ARG 146 Ca 0.02 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3isa h ARG 146 Cb 0.49 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3isa h ARG 146 CO -0.12 0.99 0.42 0.00 -1.07 0.00 0.00 179.97 180.19 3isa h ARG 147 N 0.56 1.01 -0.38 0.04 3.08 -1.94 0.92 114.38 117.66 3isa h ARG 147 Ca 0.04 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3isa h ARG 147 Cb 0.98 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 3isa h ARG 147 CO 0.09 0.73 0.08 0.35 -1.07 0.00 0.00 179.97 180.16 3isa h PHE 148 N 1.00 0.66 -0.49 3.04 3.57 -0.79 -2.72 116.94 121.22 3isa h PHE 148 Ca 0.26 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.76 3isa h PHE 148 Cb 0.00 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.49 3isa h PHE 148 CO -0.01 0.65 0.09 -0.09 -2.23 0.00 0.00 178.31 176.72 3isa h ARG 149 N 0.48 0.22 -0.21 1.11 2.43 -0.91 -1.52 114.38 115.97 3isa h ARG 149 Ca 0.12 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3isa h ARG 149 Cb 0.33 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3isa h ARG 149 CO 0.00 0.14 0.14 -0.44 -1.51 0.00 0.00 179.97 178.31 3isa h ASP 150 N 0.22 0.18 0.17 -3.80 3.32 -0.58 0.30 116.42 116.23 3isa h ASP 150 Ca 0.24 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3isa h ASP 150 Cb 0.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3isa h ASP 150 CO -0.33 0.13 -0.08 0.40 -1.72 0.00 0.00 179.24 177.64 3isa h ILE 151 N 0.21 0.13 -0.00 0.35 2.04 -1.15 -3.40 117.51 115.68 3isa h ILE 151 Ca 0.08 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3isa h ILE 151 Cb 0.08 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 3isa h ILE 151 CO -0.02 0.04 -0.69 1.33 0.00 0.00 0.00 178.15 178.81 3isa n VAL 152 N -4.92 0.00 0.00 1.67 0.24 -0.61 -4.87 118.33 109.83 3isa n VAL 152 Ca -0.04 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3isa n VAL 152 Cb 0.12 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 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 1.49 0.81 0.26 7.63 0.00 0.10 -4.30 105.19 111.18 3isa n GLY 153 Ca 0.06 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.37 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 1.31 0.62 4.61 0.00 -1.95 -1.61 119.26 122.24 3isa h ALA 154 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3isa h ALA 154 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3isa h ALA 154 CO 0.00 0.46 -0.30 0.22 0.00 0.00 0.00 179.25 179.64 3isa h ASP 155 N 0.47 -0.71 -0.12 0.00 3.58 -1.95 -0.74 116.42 116.96 3isa h ASP 155 Ca 0.10 -0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.45 3isa h ASP 155 Cb 0.41 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 3isa h ASP 155 CO 0.02 -0.45 -0.21 1.56 -2.88 0.00 0.00 179.24 177.28 3isa h GLN 156 N -0.92 0.53 -0.62 0.28 1.08 -1.73 -1.96 115.11 111.77 3isa h GLN 156 Ca -0.09 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 3isa h GLN 156 Cb 0.67 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 3isa h GLN 156 CO 0.14 0.71 0.28 0.00 -0.95 0.00 0.00 178.83 179.01 3isa h ALA 157 N 1.30 0.80 -0.31 3.87 0.00 -1.27 -0.87 119.26 122.78 3isa h ALA 157 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3isa h ALA 157 Cb 0.62 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3isa h ALA 157 CO 0.04 0.38 0.11 1.25 0.00 0.00 0.00 179.25 181.04 3isa h LEU 158 N 0.85 0.44 -0.22 0.00 5.85 -0.92 0.65 115.31 121.96 3isa h LEU 158 Ca 0.21 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3isa h LEU 158 Cb 0.15 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 3isa h LEU 158 CO -0.02 0.50 -0.27 0.28 -0.34 0.00 0.00 178.44 178.59 3isa h SER 159 N 0.35 -0.86 -0.01 1.25 0.02 -1.13 0.96 113.55 114.13 3isa h SER 159 Ca 0.10 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3isa h SER 159 Cb 0.21 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3isa h SER 159 CO -0.01 -0.30 -0.13 0.40 -1.14 0.00 0.00 176.83 175.65 3isa h ILE 160 N -0.29 1.55 0.05 3.27 2.04 -1.09 -3.27 117.51 119.78 3isa h ILE 160 Ca 0.13 -1.80 -0.24 0.00 1.00 0.00 0.00 64.86 63.94 3isa h ILE 160 Cb 0.49 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.28 3isa h ILE 160 CO -0.39 0.48 -1.05 -0.07 0.00 0.00 0.00 178.15 177.12 3isa h LEU 161 N -0.58 0.45 -1.91 1.44 3.38 -0.92 -1.22 115.31 115.94 3isa h LEU 161 Ca -0.01 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3isa h LEU 161 Cb 0.86 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3isa h LEU 161 CO 0.03 1.25 -0.12 1.23 0.09 0.00 0.00 178.44 180.91 3isa h GLY 162 N 1.47 0.00 -0.77 0.83 0.00 -0.92 -1.62 103.07 102.05 3isa h GLY 162 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3isa h GLY 162 CO 0.18 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.16 3isa n SER 163 N -3.74 2.23 -4.36 0.19 7.64 -1.23 -5.01 113.62 109.34 3isa n SER 163 Ca -0.02 -1.72 -0.35 0.00 1.01 0.00 0.00 58.87 57.79 3isa n SER 163 Cb 0.23 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.29 -1.68 -2.76 -0.43 0.00 -0.61 -4.90 120.51 110.41 3isa n ALA 164 Ca 0.07 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 3isa n ALA 164 Cb 0.30 -1.64 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 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 -7.24 3.50 0.74 0.00 1.70 -0.52 -4.55 118.95 112.57 3isa s ARG 165 Ca 0.34 -0.40 -0.13 0.00 -0.47 0.00 0.00 55.73 55.07 3isa s ARG 165 Cb -0.20 -2.78 0.04 0.00 -0.57 0.00 0.00 34.95 31.44 3isa s ARG 165 CO 1.00 0.32 1.12 0.00 -1.08 0.00 0.00 175.30 176.65 3isa s ALA 166 N -2.04 2.24 -0.08 7.88 0.00 -1.26 -4.38 121.76 124.11 3isa s ALA 166 Ca 0.38 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 3isa s ALA 166 Cb -0.10 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3isa s ALA 166 CO 0.31 -1.69 0.29 -0.59 0.00 0.00 0.00 175.76 174.08 3isa s PHE 167 N -2.55 -0.27 0.39 0.00 -0.12 0.05 -4.99 117.98 110.48 3isa s PHE 167 Ca 0.65 0.63 -0.00 0.00 -0.05 0.00 0.00 56.93 58.16 3isa s PHE 167 Cb -0.20 0.10 0.08 0.00 -0.63 0.00 0.00 43.02 42.36 3isa s PHE 167 CO 0.49 -0.22 0.54 -0.40 -0.05 0.00 0.00 175.22 175.58 3isa n ASP 168 N 2.45 0.73 -0.32 1.98 5.68 -1.26 -1.03 116.55 124.78 3isa n ASP 168 Ca -0.15 -1.61 -0.04 0.00 -0.50 0.00 0.00 54.79 52.48 3isa n ASP 168 Cb 0.57 -0.35 0.08 0.00 -1.14 0.00 0.00 41.12 40.28 3isa n ASP 168 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3isa h ALA 169 N -0.54 1.10 -0.29 2.12 0.00 -1.59 -0.82 119.26 119.23 3isa h ALA 169 Ca -0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3isa h ALA 169 Cb 0.66 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3isa h ALA 169 CO 0.19 0.58 0.15 -0.44 0.00 0.00 0.00 179.25 179.73 3isa h ASP 170 N 1.19 0.37 -0.54 0.00 3.32 -1.89 -0.69 116.42 118.19 3isa h ASP 170 Ca 0.31 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3isa h ASP 170 Cb -0.02 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3isa h ASP 170 CO -0.05 0.37 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.68 3isa h GLU 171 N 0.35 1.00 -0.64 3.56 4.81 -1.91 -1.38 114.58 120.36 3isa h GLU 171 Ca 0.10 -0.36 0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3isa h GLU 171 Cb 0.09 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 3isa h GLU 171 CO -0.01 1.04 0.32 0.00 -0.73 0.00 0.00 179.01 179.62 3isa h ALA 172 N 0.93 0.86 -0.16 2.92 0.00 -0.93 -1.12 119.26 121.76 3isa h ALA 172 Ca 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3isa h ALA 172 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3isa h ALA 172 CO 0.04 -0.06 0.02 -0.09 0.00 0.00 0.00 179.25 179.17 3isa h ARG 173 N 0.57 0.27 -0.74 0.00 2.43 -0.94 0.15 114.38 116.11 3isa h ARG 173 Ca 0.31 -0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.52 3isa h ARG 173 Cb 0.28 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 3isa h ARG 173 CO -0.23 0.46 0.34 -0.09 -1.51 0.00 0.00 179.97 178.93 3isa h ARG 174 N 0.05 0.51 -0.01 0.20 2.43 -0.88 -2.51 114.38 114.17 3isa h ARG 174 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3isa h ARG 174 Cb 0.32 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3isa h ARG 174 CO 0.00 0.34 -0.08 0.44 -1.51 0.00 0.00 179.97 179.17 3isa n ILE 175 N -4.93 0.00 -0.74 1.20 -5.35 -0.46 -4.92 119.36 104.16 3isa n ILE 175 Ca 0.13 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3isa n ILE 175 Cb 0.36 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.23 0.58 0.11 3.28 0.00 -0.90 -4.49 105.19 104.99 3isa n GLY 176 Ca 0.17 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 0.11 -4.00 1.61 3.57 -0.96 -3.44 116.94 113.83 3isa h PHE 177 Ca 0.00 -0.06 -0.69 0.00 3.53 0.00 0.00 57.97 60.75 3isa h PHE 177 Cb 0.00 -0.01 -0.23 0.00 2.79 0.00 0.00 35.95 38.50 3isa h PHE 177 CO 0.00 0.87 -0.86 0.14 -2.23 0.00 0.00 178.31 176.23 3isa s VAL 178 N -3.18 2.35 0.17 1.41 -7.23 -1.06 -4.82 120.40 108.05 3isa s VAL 178 Ca -0.01 -1.58 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 3isa s VAL 178 Cb 0.11 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 35.10 3isa s VAL 178 CO 0.80 0.19 1.82 0.03 -0.31 0.00 0.00 175.10 177.63 3isa h ARG 179 N 4.16 0.61 -2.65 4.82 3.08 -0.85 -3.41 114.38 120.13 3isa h ARG 179 Ca -0.49 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 59.58 3isa h ARG 179 Cb 1.16 -0.14 -0.12 0.00 0.08 0.00 0.00 29.97 30.96 3isa h ARG 179 CO 0.42 0.40 0.35 0.34 -1.07 0.00 0.00 179.97 180.41 3isa s ASP 180 N -5.60 -0.41 0.05 7.04 2.15 -1.26 -5.05 116.67 113.59 3isa s ASP 180 Ca -0.13 -0.13 -0.23 0.00 0.43 0.00 0.00 52.55 52.49 3isa s ASP 180 Cb 0.12 0.52 -0.06 0.00 -0.30 0.00 0.00 42.92 43.21 3isa s ASP 180 CO 0.74 -0.88 0.70 0.00 -0.17 0.00 0.00 175.17 175.55 3isa s ALA 182 N -0.35 -0.56 0.75 0.00 0.00 0.17 -4.94 121.76 116.83 3isa s ALA 182 Ca 0.35 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 53.15 3isa s ALA 182 Cb -0.20 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.26 3isa s ALA 182 CO 0.21 -0.29 1.24 0.00 0.00 0.00 0.00 175.76 176.93 3isa s ALA 183 N 1.49 2.04 0.55 0.00 0.00 -1.26 -3.55 121.76 121.03 3isa s ALA 183 Ca -0.07 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.12 3isa s ALA 183 Cb -0.11 -3.52 1.47 0.00 0.00 0.00 0.00 23.12 20.96 3isa s ALA 183 CO -0.09 -2.05 2.12 1.96 0.00 0.00 0.00 175.76 177.71 3isa h GLN 184 N -0.35 0.00 -0.40 0.00 4.20 -1.98 -0.97 115.11 115.61 3isa h GLN 184 Ca -0.48 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.33 3isa h GLN 184 Cb 1.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 3isa h GLN 184 CO 0.49 0.00 0.28 0.00 -0.67 0.00 0.00 178.83 178.93 3isa h ALA 185 N 1.90 2.27 0.00 3.87 0.00 -2.05 -0.68 119.26 124.56 3isa h ALA 185 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3isa h ALA 185 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3isa h ALA 185 CO -0.00 -0.38 -0.37 1.04 0.00 0.00 0.00 179.25 179.54 3isa n GLN 186 N -4.44 0.01 -0.20 0.00 3.00 -0.37 -4.44 117.38 110.94 3isa n GLN 186 Ca 0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.98 3isa n GLN 186 Cb 0.42 -1.51 0.03 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 0.00 0.79 -0.88 1.08 4.06 -1.15 -2.67 115.95 117.17 3isa h TRP 187 Ca 0.00 -0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.03 3isa h TRP 187 Cb 0.51 -0.25 -0.08 0.00 -1.00 0.00 0.00 29.16 28.34 3isa h TRP 187 CO 0.00 0.59 0.52 -1.35 -3.56 0.00 0.00 178.44 174.64 3isa h PRO 188 N 0.76 0.83 -0.60 0.49 0.11 -1.78 -0.68 132.00 131.13 3isa h PRO 188 Ca 0.20 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 3isa h PRO 188 Cb 0.08 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 3isa h PRO 188 CO -0.03 0.55 0.16 0.00 -0.21 0.00 0.00 178.00 178.47 3isa h ALA 189 N 1.48 1.15 -0.61 -0.75 0.00 -1.82 -1.72 119.26 117.00 3isa h ALA 189 Ca 0.43 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3isa h ALA 189 Cb 0.41 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3isa h ALA 189 CO -0.26 0.58 0.03 -0.07 0.00 0.00 0.00 179.25 179.53 3isa h LEU 190 N 0.89 1.03 -0.51 0.00 3.38 -1.04 -1.19 115.31 117.87 3isa h LEU 190 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3isa h LEU 190 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3isa h LEU 190 CO -0.00 1.07 0.28 0.40 0.09 0.00 0.00 178.44 180.28 3isa h ILE 191 N 0.96 1.18 -0.47 1.22 2.04 -0.97 -0.59 117.51 120.87 3isa h ILE 191 Ca 0.18 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3isa h ILE 191 Cb 0.53 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3isa h ILE 191 CO 0.03 0.19 0.30 0.44 0.00 0.00 0.00 178.15 179.11 3isa h ASP 192 N 0.68 0.56 -0.67 1.72 3.32 -1.11 0.35 116.42 121.26 3isa h ASP 192 Ca 0.18 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3isa h ASP 192 Cb 0.06 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3isa h ASP 192 CO -0.03 0.43 0.31 0.00 -1.72 0.00 0.00 179.24 178.23 3isa h ALA 193 N 1.15 0.87 -0.81 3.45 0.00 -1.01 -1.21 119.26 121.70 3isa h ALA 193 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 193 Cb -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3isa h ALA 193 CO -0.03 0.44 0.39 0.00 0.00 0.00 0.00 179.25 180.05 3isa h ALA 194 N 1.14 1.04 -0.61 0.00 0.00 -0.69 -0.74 119.26 119.41 3isa h ALA 194 Ca 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3isa h ALA 194 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3isa h ALA 194 CO -0.03 0.61 0.14 0.00 0.00 0.00 0.00 179.25 179.98 3isa h ALA 195 N 1.20 0.81 -0.58 0.00 0.00 -0.54 0.18 119.26 120.33 3isa h ALA 195 Ca 0.28 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3isa h ALA 195 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3isa h ALA 195 CO -0.03 0.52 0.02 0.93 0.00 0.00 0.00 179.25 180.68 3isa h GLU 196 N 0.90 1.01 -0.63 0.00 4.39 -1.04 -2.28 114.58 116.93 3isa h GLU 196 Ca 0.19 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3isa h GLU 196 Cb 0.36 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3isa h GLU 196 CO 0.00 1.00 0.20 0.00 -1.16 0.00 0.00 179.01 179.05 3isa h ALA 197 N 0.98 0.82 -0.56 3.43 0.00 -0.86 -2.45 119.26 120.62 3isa h ALA 197 Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3isa h ALA 197 Cb 0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3isa h ALA 197 CO 0.03 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.85 3isa h ALA 198 N 1.07 1.07 -0.13 0.00 0.00 -0.53 -2.75 119.26 117.99 3isa h ALA 198 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3isa h ALA 198 Cb 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3isa h ALA 198 CO -0.01 0.60 0.00 0.25 0.00 0.00 0.00 179.25 180.09 3isa n THR 199 N -4.23 0.16 0.26 0.00 -2.24 -0.87 -4.01 114.28 103.35 3isa n THR 199 Ca 0.04 -0.33 0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3isa n THR 199 Cb 0.27 0.43 0.69 0.00 -2.10 0.00 0.00 70.33 69.63 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 4.14 1.19 -3.26 6.98 0.00 -1.12 -3.43 119.26 123.76 3isa h ALA 200 Ca 0.00 -0.12 -0.65 0.00 0.00 0.00 0.00 54.91 54.14 3isa h ALA 200 Cb 0.51 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.10 3isa h ALA 200 CO 0.00 0.16 -0.80 -0.51 0.00 0.00 0.00 179.25 178.10 3isa s LEU 201 N -7.04 2.59 0.63 0.00 1.43 -1.26 -5.13 118.68 109.91 3isa s LEU 201 Ca -0.02 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 3isa s LEU 201 Cb 0.12 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 3isa s LEU 201 CO 0.58 0.13 1.15 1.51 0.23 0.00 0.00 176.35 179.96 3isa s ASP 202 N -2.60 5.10 0.25 2.29 1.47 -1.26 -4.72 116.67 117.19 3isa s ASP 202 Ca 0.21 2.20 -0.04 0.00 1.18 0.00 0.00 52.55 56.10 3isa s ASP 202 Cb -0.09 -2.58 0.49 0.00 -0.34 0.00 0.00 42.92 40.41 3isa s ASP 202 CO 0.11 -1.64 1.70 -0.65 0.68 0.00 0.00 175.17 175.36 3isa h PRO 203 N 0.44 0.32 -0.47 2.11 0.11 -1.94 -0.05 132.00 132.51 3isa h PRO 203 Ca -0.49 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3isa h PRO 203 Cb 1.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3isa h PRO 203 CO 0.54 0.21 -0.09 0.00 -0.21 0.00 0.00 178.00 178.45 3isa h ALA 204 N 1.61 0.95 -0.10 -0.75 0.00 -1.99 -1.80 119.26 117.17 3isa h ALA 204 Ca 0.43 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3isa h ALA 204 Cb 0.73 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3isa h ALA 204 CO -0.48 0.62 -0.36 1.15 0.00 0.00 0.00 179.25 180.18 3isa h THR 205 N 0.77 1.39 -0.76 0.00 2.02 -1.71 -1.33 112.91 113.29 3isa h THR 205 Ca 0.13 -1.70 0.13 0.00 0.77 0.00 0.00 66.41 65.73 3isa h THR 205 Cb 0.59 2.21 -0.09 0.00 -1.74 0.00 0.00 68.15 69.12 3isa h THR 205 CO 0.04 0.50 0.35 -0.09 0.37 0.00 0.00 175.52 176.69 3isa h ARG 206 N -0.03 0.52 -0.35 6.66 2.43 -1.02 0.87 114.38 123.45 3isa h ARG 206 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3isa h ARG 206 Cb 0.99 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 3isa h ARG 206 CO 0.08 0.34 0.19 0.00 -1.51 0.00 0.00 179.97 179.07 3isa h ALA 207 N 1.51 0.45 -0.45 2.80 0.00 -1.19 -1.74 119.26 120.65 3isa h ALA 207 Ca 0.40 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3isa h ALA 207 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3isa h ALA 207 CO -0.35 -0.02 0.09 1.15 0.00 0.00 0.00 179.25 180.12 3isa h THR 208 N 0.44 1.24 -0.28 0.00 2.02 -0.59 -1.94 112.91 113.80 3isa h THR 208 Ca 0.12 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.49 3isa h THR 208 Cb 0.07 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.37 3isa h THR 208 CO -0.02 0.30 -0.03 0.25 0.37 0.00 0.00 175.52 176.39 3isa h LEU 209 N 0.60 -0.18 -0.80 2.58 5.85 -0.68 0.05 115.31 122.73 3isa h LEU 209 Ca 0.14 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3isa h LEU 209 Cb 0.36 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3isa h LEU 209 CO 0.01 -0.05 0.51 0.45 -0.34 0.00 0.00 178.44 179.01 3isa h HIS 210 N 0.05 1.03 0.06 1.25 3.86 -1.15 -1.07 115.15 119.18 3isa h HIS 210 Ca 0.14 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3isa h HIS 210 Cb 0.19 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3isa h HIS 210 CO -0.24 0.67 -0.03 -0.09 0.86 0.00 0.00 177.93 179.10 3isa h ARG 211 N 1.09 -0.08 -0.71 2.45 2.43 -0.96 -2.57 114.38 116.02 3isa h ARG 211 Ca 0.29 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3isa h ARG 211 Cb -0.08 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3isa h ARG 211 CO -0.06 -0.02 0.45 0.28 -1.51 0.00 0.00 179.97 179.11 3isa h VAL 212 N -0.12 1.20 0.00 0.20 2.07 -0.67 -3.13 116.25 115.80 3isa h VAL 212 Ca -0.01 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 3isa h VAL 212 Cb 0.10 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3isa h VAL 212 CO 0.01 0.20 -0.51 -0.07 0.02 0.00 0.00 177.57 177.22 3isa h LEU 213 N 0.97 0.00 -9.75 2.57 3.38 -1.14 -3.46 115.31 107.88 3isa h LEU 213 Ca 0.26 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.73 3isa h LEU 213 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3isa h LEU 213 CO -0.05 0.51 0.43 -0.60 0.09 0.00 0.00 178.44 178.83 3isa s ARG 214 N -3.44 4.70 -0.63 1.13 3.52 -0.98 -5.00 118.95 118.25 3isa s ARG 214 Ca 0.00 1.67 -0.23 0.00 -0.13 0.00 0.00 55.73 57.05 3isa s ARG 214 Cb 0.11 -3.24 0.06 0.00 -1.56 0.00 0.00 34.95 30.32 3isa s ARG 214 CO 0.73 0.27 0.95 0.34 -0.81 0.00 0.00 175.30 176.78 3isa s ASP 215 N -0.76 6.20 -0.48 -2.12 2.15 -1.26 -5.01 116.67 115.40 3isa s ASP 215 Ca 0.45 -0.88 -0.23 0.00 0.43 0.00 0.00 52.55 52.32 3isa s ASP 215 Cb -0.29 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 39.94 3isa s ASP 215 CO 0.36 -1.39 0.81 -0.62 -0.17 0.00 0.00 175.17 174.17 3isa s ASP 216 N 3.50 6.38 -0.28 -0.34 2.15 -1.26 -4.84 116.67 121.97 3isa s ASP 216 Ca 0.23 -0.24 0.15 0.00 0.43 0.00 0.00 52.55 53.12 3isa s ASP 216 Cb -0.16 -2.39 0.48 0.00 -0.30 0.00 0.00 42.92 40.55 3isa s ASP 216 CO 0.12 -0.99 1.14 0.00 -0.17 0.00 0.00 175.17 175.28 3isa n HIS 217 N 6.84 2.03 -0.20 -5.34 1.44 -1.26 -4.92 115.22 113.80 3isa n HIS 217 Ca 0.01 -2.22 -0.02 0.00 -2.01 0.00 0.00 57.72 53.48 3isa n HIS 217 Cb 0.48 -0.28 0.09 0.00 0.12 0.00 0.00 29.99 30.39 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 2.42 0.41 -0.24 4.39 3.32 -1.99 -0.70 116.42 124.02 3isa h ASP 218 Ca 0.12 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3isa h ASP 218 Cb 1.39 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.90 3isa h ASP 218 CO 0.48 0.26 -0.02 0.44 -1.72 0.00 0.00 179.24 178.68 3isa h ASP 219 N 0.55 0.43 -0.92 6.45 3.32 -1.99 0.11 116.42 124.36 3isa h ASP 219 Ca 0.28 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3isa h ASP 219 Cb 0.23 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 3isa h ASP 219 CO -0.21 0.66 0.61 0.00 -1.72 0.00 0.00 179.24 178.58 3isa h ALA 220 N 0.78 1.35 -0.22 3.45 0.00 -1.93 -0.43 119.26 122.27 3isa h ALA 220 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3isa h ALA 220 Cb 0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3isa h ALA 220 CO 0.02 0.60 -0.00 -0.44 0.00 0.00 0.00 179.25 179.43 3isa h ASP 221 N 1.24 0.38 -0.50 0.00 3.32 -0.86 -1.22 116.42 118.78 3isa h ASP 221 Ca 0.34 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 3isa h ASP 221 Cb -0.13 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3isa h ASP 221 CO -0.08 0.59 -0.13 0.25 -1.72 0.00 0.00 179.24 178.16 3isa h LEU 222 N 0.15 1.00 -0.11 1.55 5.85 -0.83 -1.74 115.31 121.18 3isa h LEU 222 Ca 0.06 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3isa h LEU 222 Cb 0.40 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3isa h LEU 222 CO 0.01 1.12 0.07 0.00 -0.34 0.00 0.00 178.44 179.30 3isa h ALA 223 N 0.96 0.14 -0.82 1.25 0.00 -1.06 -0.29 119.26 119.44 3isa h ALA 223 Ca 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3isa h ALA 223 Cb 0.69 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3isa h ALA 223 CO 0.05 -0.35 0.54 0.00 0.00 0.00 0.00 179.25 179.49 3isa h ALA 224 N 1.00 1.06 -0.01 0.00 0.00 -1.15 -0.82 119.26 119.35 3isa h ALA 224 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 224 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3isa h ALA 224 CO -0.01 0.40 0.01 1.25 0.00 0.00 0.00 179.25 180.90 3isa h LEU 225 N 1.07 0.02 -0.27 0.00 5.85 -1.15 -1.59 115.31 119.25 3isa h LEU 225 Ca 0.31 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3isa h LEU 225 Cb -0.06 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3isa h LEU 225 CO -0.09 0.14 0.16 0.00 -0.34 0.00 0.00 178.44 178.31 3isa h ALA 226 N 0.88 0.34 -0.72 1.25 0.00 -0.73 -1.85 119.26 118.43 3isa h ALA 226 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3isa h ALA 226 Cb 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3isa h ALA 226 CO -0.00 -0.15 0.44 0.00 0.00 0.00 0.00 179.25 179.54 3isa h ARG 227 N 0.33 0.81 -0.76 0.00 3.08 -1.16 -0.80 114.38 115.88 3isa h ARG 227 Ca 0.09 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3isa h ARG 227 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3isa h ARG 227 CO -0.02 0.54 0.37 0.66 -1.07 0.00 0.00 179.97 180.45 3isa h SER 228 N 0.84 0.99 0.04 7.04 4.64 -0.88 -2.98 113.55 123.25 3isa h SER 228 Ca 0.30 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3isa h SER 228 Cb 0.07 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 3isa h SER 228 CO -0.13 0.84 -0.12 0.00 -0.87 0.00 0.00 176.83 176.55 3isa n ALA 229 N -2.39 2.80 0.79 5.18 0.00 -0.73 -3.68 120.51 122.48 3isa n ALA 229 Ca 0.07 -0.51 0.10 0.00 0.00 0.00 0.00 53.44 53.09 3isa n ALA 229 Cb 0.13 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 18.63 3isa n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3isa n ALA 230 N 0.19 2.46 -1.98 0.00 0.00 -0.33 -4.62 120.51 116.23 3isa n ALA 230 Ca 0.15 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.50 3isa n ALA 230 Cb 0.42 -0.66 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.62 4.26 0.22 0.00 -1.52 -1.18 -4.93 119.66 114.90 3isa s GLN 231 Ca 0.23 2.26 -0.30 0.00 -1.95 0.00 0.00 55.36 55.60 3isa s GLN 231 Cb 0.16 -3.17 -0.15 0.00 -0.22 0.00 0.00 33.01 29.63 3isa s GLN 231 CO 0.25 -0.49 0.98 -2.30 -0.25 0.00 0.00 175.29 173.47 3isa n PRO 232 N 3.45 1.00 -0.63 2.91 -0.02 -1.26 -1.93 135.00 138.52 3isa n PRO 232 Ca 0.11 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3isa n PRO 232 Cb 0.40 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 1.66 0.79 0.26 -1.23 0.00 -1.26 -4.96 105.19 100.45 3isa n GLY 233 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 0.71 -0.80 1.61 3.57 -1.74 -0.88 116.94 119.41 3isa h PHE 234 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3isa h PHE 234 Cb 0.00 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3isa h PHE 234 CO 0.00 0.36 0.48 -0.22 -2.23 0.00 0.00 178.31 176.71 3isa h LYS 235 N 0.72 1.08 -0.93 1.11 3.64 -1.93 -1.67 116.57 118.60 3isa h LYS 235 Ca 0.29 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3isa h LYS 235 Cb 0.13 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 3isa h LYS 235 CO -0.15 0.76 0.62 0.00 -2.27 0.00 0.00 179.45 178.40 3isa h ALA 236 N 1.26 1.35 -0.72 5.00 0.00 -1.79 0.46 119.26 124.82 3isa h ALA 236 Ca 0.29 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3isa h ALA 236 Cb -0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 3isa h ALA 236 CO -0.05 0.60 0.19 0.00 0.00 0.00 0.00 179.25 179.99 3isa h ARG 237 N 1.25 1.13 -0.02 0.00 3.08 -0.55 -0.73 114.38 118.54 3isa h ARG 237 Ca 0.35 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3isa h ARG 237 Cb -0.12 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 3isa h ARG 237 CO -0.08 0.98 0.01 0.82 -1.07 0.00 0.00 179.97 180.64 3isa h ILE 238 N 1.08 1.04 -0.58 2.04 2.04 -0.94 -1.50 117.51 120.68 3isa h ILE 238 Ca 0.23 -0.11 0.10 0.00 1.00 0.00 0.00 64.86 66.08 3isa h ILE 238 Cb 0.35 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 3isa h ILE 238 CO -0.00 0.03 0.14 -0.09 0.00 0.00 0.00 178.15 178.24 3isa h ARG 239 N -0.01 0.28 -0.68 2.37 2.43 -0.56 0.23 114.38 118.43 3isa h ARG 239 Ca 0.01 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3isa h ARG 239 Cb 0.04 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3isa h ARG 239 CO -0.00 0.18 0.20 -0.44 -1.51 0.00 0.00 179.97 178.40 3isa h ASP 240 N 0.28 1.00 0.10 -3.80 3.32 -1.06 -1.31 116.42 114.96 3isa h ASP 240 Ca 0.30 -0.19 -0.18 0.00 0.02 0.00 0.00 57.03 56.98 3isa h ASP 240 Cb 0.43 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3isa h ASP 240 CO -0.37 0.94 -0.67 0.22 -1.72 0.00 0.00 179.24 177.64 3isa h TYR 241 N 1.02 0.70 0.00 4.55 3.20 -0.02 -3.29 116.97 123.12 3isa h TYR 241 Ca 0.22 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3isa h TYR 241 Cb 0.31 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3isa h TYR 241 CO 0.02 1.05 -0.54 1.28 -1.64 0.00 0.00 178.16 178.33 3isa n LEU 242 N -3.90 0.58 -4.67 2.82 4.77 0.65 -4.97 117.00 112.28 3isa n LEU 242 Ca -0.04 0.17 -0.46 0.00 -0.03 0.00 0.00 56.01 55.65 3isa n LEU 242 Cb 0.68 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3isa n LEU 242 CO 0.49 0.01 1.24 0.00 -1.33 0.00 0.00 177.39 177.80 3isa n ALA 243 N -1.69 1.45 -2.71 -1.18 0.00 -0.50 -4.99 120.51 110.89 3isa n ALA 243 Ca 0.04 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.55 3isa n ALA 243 Cb 0.40 -2.38 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 3isa n ALA 243 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3isa s GLN 244 N 1.26 4.16 0.00 0.00 -0.21 -1.26 -5.07 119.66 118.54 3isa s GLN 244 Ca 0.80 -0.18 0.30 0.00 0.02 0.00 0.00 55.36 56.30 3isa s GLN 244 Cb -0.66 -3.46 1.45 0.00 1.00 0.00 0.00 33.01 31.34 3isa s GLN 244 CO 0.39 0.21 1.97 -0.35 -2.12 0.00 0.00 175.29 175.39