#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isa h SER 5 N 0.00 0.00 1.34 1.96 0.02 -2.07 -2.67 113.55 112.12 3isa h SER 5 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3isa h SER 5 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3isa h SER 5 CO 0.00 0.16 -0.10 0.00 -1.14 0.00 0.00 176.83 175.75 3isa n ALA 6 N -2.23 2.40 -1.92 3.77 0.00 -1.26 -4.87 120.51 116.40 3isa n ALA 6 Ca -0.01 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 3isa n ALA 6 Cb 0.33 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3isa n ALA 6 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3isa s SER 7 N -4.36 6.29 -0.57 0.00 0.01 -1.01 -5.04 113.70 109.02 3isa s SER 7 Ca 0.10 1.38 0.05 0.00 1.31 0.00 0.00 55.95 58.79 3isa s SER 7 Cb 0.13 -2.45 0.17 0.00 0.21 0.00 0.00 66.02 64.08 3isa s SER 7 CO 0.61 -0.79 0.42 -0.22 0.41 0.00 0.00 173.24 173.68 3isa s LEU 8 N -4.95 3.31 0.50 2.44 2.96 -1.26 -4.95 118.68 116.73 3isa s LEU 8 Ca 0.55 -3.50 0.32 0.00 -0.22 0.00 0.00 54.13 51.27 3isa s LEU 8 Cb -0.11 -1.11 1.26 0.00 0.50 0.00 0.00 46.19 46.74 3isa s LEU 8 CO 0.49 -0.12 1.93 1.55 -1.32 0.00 0.00 176.35 178.88 3isa h PRO 9 N 5.51 0.00 -4.21 0.98 0.13 -1.95 -3.41 132.00 129.06 3isa h PRO 9 Ca 0.20 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.78 3isa h PRO 9 Cb 0.82 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.58 3isa h PRO 9 CO 0.56 0.00 -0.80 -1.17 -0.23 0.00 0.00 178.00 176.37 3isa s LEU 10 N -5.93 1.51 -0.06 1.56 2.96 -1.26 -0.32 118.68 117.15 3isa s LEU 10 Ca 0.02 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 3isa s LEU 10 Cb 0.09 -0.91 -0.05 0.00 0.50 0.00 0.00 46.19 45.82 3isa s LEU 10 CO 0.53 -0.16 0.42 0.00 -1.32 0.00 0.00 176.35 175.81 3isa s ALA 11 N 1.64 3.61 -0.17 5.97 0.00 -0.51 -4.95 121.76 127.35 3isa s ALA 11 Ca 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3isa s ALA 11 Cb -0.14 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.53 3isa s ALA 11 CO -0.08 0.28 -0.17 0.42 0.00 0.00 0.00 175.76 176.21 3isa s ILE 12 N -0.34 1.86 -0.24 0.00 1.01 -1.26 -0.47 121.20 121.75 3isa s ILE 12 Ca 0.23 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 3isa s ILE 12 Cb -0.16 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3isa s ILE 12 CO 0.11 0.49 0.14 -0.70 0.00 0.00 0.00 174.94 174.98 3isa s GLU 13 N 1.37 3.99 -0.22 2.79 2.12 0.15 -4.96 118.70 123.95 3isa s GLU 13 Ca 0.05 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.02 3isa s GLU 13 Cb -0.13 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 3isa s GLU 13 CO -0.12 0.02 -0.02 1.03 -0.54 0.00 0.00 175.26 175.63 3isa s ARG 14 N 1.16 3.48 0.17 4.30 0.52 -1.26 -0.78 118.95 126.54 3isa s ARG 14 Ca 0.07 -0.58 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 3isa s ARG 14 Cb -0.14 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 3isa s ARG 14 CO 0.05 -0.13 -0.10 1.03 0.02 0.00 0.00 175.30 176.17 3isa s ARG 15 N 1.33 1.14 0.27 3.54 1.81 -0.09 -5.02 118.95 121.94 3isa s ARG 15 Ca 0.04 -1.50 -0.00 0.00 -1.72 0.00 0.00 55.73 52.55 3isa s ARG 15 Cb -0.14 -0.72 0.51 0.00 -0.45 0.00 0.00 34.95 34.14 3isa s ARG 15 CO -0.00 0.08 1.83 -1.35 -0.68 0.00 0.00 175.30 175.18 3isa h PRO 16 N 2.70 0.95 0.00 3.54 0.11 -2.02 -2.80 132.00 134.48 3isa h PRO 16 Ca -0.37 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3isa h PRO 16 Cb 1.20 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3isa h PRO 16 CO 0.63 0.63 -1.07 0.00 -0.21 0.00 0.00 178.00 177.98 3isa n ALA 17 N -2.36 3.36 -3.55 -0.75 0.00 -1.26 -4.58 120.51 111.37 3isa n ALA 17 Ca 0.18 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 3isa n ALA 17 Cb 0.33 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.21 -1.40 -0.13 0.00 0.00 -1.06 -1.53 121.76 114.43 3isa s ALA 18 Ca 0.03 1.73 -0.04 0.00 0.00 0.00 0.00 51.96 53.68 3isa s ALA 18 Cb 0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3isa s ALA 18 CO 0.81 -0.29 -0.00 -1.58 0.00 0.00 0.00 175.76 174.70 3isa s TRP 19 N 0.80 3.13 -0.24 0.00 0.52 -0.60 -0.91 118.94 121.63 3isa s TRP 19 Ca -0.04 -0.00 -0.07 0.00 0.02 0.00 0.00 56.10 56.01 3isa s TRP 19 Cb -0.05 -1.91 -0.03 0.00 -1.15 0.00 0.00 33.47 30.34 3isa s TRP 19 CO -0.06 0.23 0.05 0.99 0.02 0.00 0.00 176.95 178.17 3isa s THR 20 N -0.19 4.17 -0.45 2.01 2.01 0.04 -0.57 115.64 122.67 3isa s THR 20 Ca 0.05 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 3isa s THR 20 Cb -0.13 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.49 3isa s THR 20 CO 0.02 0.36 0.42 -0.36 -0.69 0.00 0.00 174.62 174.37 3isa s PHE 21 N 1.52 3.19 -0.36 4.92 0.08 0.67 -0.68 117.98 127.33 3isa s PHE 21 Ca 0.06 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.41 3isa s PHE 21 Cb -0.15 -3.00 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 3isa s PHE 21 CO 0.03 -0.75 0.17 0.99 -0.10 0.00 0.00 175.22 175.55 3isa s THR 22 N 1.96 4.30 0.12 0.64 2.01 0.38 -1.45 115.64 123.60 3isa s THR 22 Ca 0.09 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 3isa s THR 22 Cb -0.20 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 68.82 3isa s THR 22 CO 0.11 -0.20 1.79 -0.76 -0.69 0.00 0.00 174.62 174.87 3isa s LEU 23 N 1.50 4.39 -0.40 4.42 1.02 -0.03 -1.42 118.68 128.17 3isa s LEU 23 Ca 0.01 2.72 0.12 0.00 0.02 0.00 0.00 54.13 56.99 3isa s LEU 23 Cb -0.19 -3.57 0.41 0.00 0.02 0.00 0.00 46.19 42.86 3isa s LEU 23 CO 0.05 -0.98 0.93 -1.20 0.02 0.00 0.00 176.35 175.17 3isa n SER 24 N 5.53 2.40 -3.06 2.29 7.64 0.56 -0.26 113.62 128.73 3isa n SER 24 Ca 0.17 -3.14 -0.26 0.00 1.01 0.00 0.00 58.87 56.65 3isa n SER 24 Cb 0.38 -0.54 -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 -0.09 2.72 0.25 1.43 1.74 -1.26 -4.48 116.66 116.98 3isa n ARG 25 Ca 0.23 -4.56 0.17 0.00 -0.77 0.00 0.00 57.85 52.91 3isa n ARG 25 Cb 0.68 -2.13 0.72 0.00 -1.02 0.00 0.00 32.46 30.71 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 3.19 0.00 0.00 5.56 0.13 -1.87 0.37 132.00 139.37 3isa h PRO 26 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3isa h PRO 26 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3isa h PRO 26 CO 0.76 0.00 -0.11 0.39 -0.23 0.00 0.00 178.00 178.81 3isa n GLU 27 N -2.90 0.10 -0.32 0.86 -0.58 -1.26 -3.62 120.64 112.92 3isa n GLU 27 Ca 0.00 0.07 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 3isa n GLU 27 Cb 0.25 -1.61 0.18 0.00 -0.57 0.00 0.00 31.44 29.70 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 -1.78 1.64 -3.16 3.49 4.76 -0.22 -4.97 118.16 117.91 3isa n LYS 28 Ca 0.06 -2.85 -0.23 0.00 -2.87 0.00 0.00 58.31 52.42 3isa n LYS 28 Cb 0.37 -1.61 0.02 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.20 -4.20 -4.18 1.97 1.74 -1.01 -1.51 116.66 108.27 3isa n ARG 29 Ca 0.19 0.71 -0.36 0.00 -0.77 0.00 0.00 57.85 57.62 3isa n ARG 29 Cb 0.73 -5.50 -0.03 0.00 -1.02 0.00 0.00 32.46 26.64 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 -2.41 -3.21 -4.77 0.55 3.02 -0.05 -1.02 115.26 107.37 3isa n ASN 30 Ca -0.07 -0.97 -0.36 0.00 -0.03 0.00 0.00 54.58 53.16 3isa n ASN 30 Cb 0.58 -2.64 0.01 0.00 -0.61 0.00 0.00 39.78 37.12 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 -3.23 2.69 -0.82 5.41 0.00 -0.57 -3.95 121.76 121.29 3isa s ALA 31 Ca 0.73 0.89 -0.20 0.00 0.00 0.00 0.00 51.96 53.38 3isa s ALA 31 Cb -0.40 -3.39 0.11 0.00 0.00 0.00 0.00 23.12 19.44 3isa s ALA 31 CO 0.89 -0.86 1.04 -0.51 0.00 0.00 0.00 175.76 176.33 3isa s LEU 32 N -3.78 4.90 0.84 0.00 1.43 0.90 -4.74 118.68 118.23 3isa s LEU 32 Ca 0.73 -1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.02 3isa s LEU 32 Cb -0.26 -2.40 0.09 0.00 0.03 0.00 0.00 46.19 43.66 3isa s LEU 32 CO 0.29 -1.17 1.09 -0.94 0.23 0.00 0.00 176.35 175.85 3isa s SER 33 N 3.64 4.05 0.25 2.29 1.04 -1.26 -1.95 113.70 121.76 3isa s SER 33 Ca 0.28 1.43 -0.03 0.00 0.48 0.00 0.00 55.95 58.11 3isa s SER 33 Cb -0.10 -2.14 0.45 0.00 0.10 0.00 0.00 66.02 64.33 3isa s SER 33 CO -0.03 -2.27 1.80 0.00 0.98 0.00 0.00 173.24 173.72 3isa h ALA 34 N -1.29 1.23 -0.23 5.32 0.00 -1.95 -1.92 119.26 120.43 3isa h ALA 34 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3isa h ALA 34 Cb 1.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3isa h ALA 34 CO 0.57 0.04 0.14 1.49 0.00 0.00 0.00 179.25 181.49 3isa h GLU 35 N 0.75 0.30 -0.64 0.00 4.81 -1.99 -0.88 114.58 116.93 3isa h GLU 35 Ca 0.43 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 3isa h GLU 35 Cb 0.47 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3isa h GLU 35 CO -0.29 0.23 0.33 1.25 -0.73 0.00 0.00 179.01 179.81 3isa h LEU 36 N 0.29 0.82 -0.29 1.64 5.85 -1.85 -0.13 115.31 121.63 3isa h LEU 36 Ca 0.08 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3isa h LEU 36 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3isa h LEU 36 CO -0.02 0.70 0.16 0.58 -0.34 0.00 0.00 178.44 179.52 3isa h VAL 37 N 0.88 1.12 -0.80 1.05 2.07 -1.12 -0.88 116.25 118.57 3isa h VAL 37 Ca 0.22 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3isa h VAL 37 Cb 0.08 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3isa h VAL 37 CO -0.03 0.12 0.40 -0.33 0.02 0.00 0.00 177.57 177.75 3isa h GLU 38 N 0.36 1.14 -0.87 1.57 4.39 -0.92 -1.04 114.58 119.21 3isa h GLU 38 Ca 0.10 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3isa h GLU 38 Cb 0.05 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 3isa h GLU 38 CO -0.02 0.86 0.44 0.00 -1.16 0.00 0.00 179.01 179.13 3isa h ALA 39 N 1.30 1.13 -0.31 3.43 0.00 -0.64 -1.25 119.26 122.92 3isa h ALA 39 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3isa h ALA 39 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3isa h ALA 39 CO -0.04 0.67 0.03 -0.07 0.00 0.00 0.00 179.25 179.84 3isa h LEU 40 N 1.23 0.52 -0.44 0.00 3.38 -0.71 -1.43 115.31 117.87 3isa h LEU 40 Ca 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3isa h LEU 40 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3isa h LEU 40 CO -0.04 0.67 0.28 0.40 0.09 0.00 0.00 178.44 179.83 3isa h ILE 41 N 0.35 1.13 -0.65 1.22 2.04 -1.07 -0.30 117.51 120.23 3isa h ILE 41 Ca 0.09 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3isa h ILE 41 Cb 0.38 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3isa h ILE 41 CO 0.01 0.13 0.40 0.44 0.00 0.00 0.00 178.15 179.13 3isa h ASP 42 N 0.59 0.78 -0.23 1.72 3.32 -1.16 -0.85 116.42 120.58 3isa h ASP 42 Ca 0.16 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 3isa h ASP 42 Cb -0.03 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3isa h ASP 42 CO -0.03 0.60 -0.18 1.23 -1.72 0.00 0.00 179.24 179.14 3isa h GLY 43 N 0.89 0.58 1.03 2.75 0.00 -1.00 -1.01 103.07 106.30 3isa h GLY 43 Ca 0.23 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3isa h GLY 43 CO -0.04 0.51 0.15 -2.08 0.00 0.00 0.00 176.54 175.07 3isa h VAL 44 N 0.23 1.25 -0.38 4.60 2.07 -1.01 -1.36 116.25 121.66 3isa h VAL 44 Ca 0.04 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.64 3isa h VAL 44 Cb 0.72 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3isa h VAL 44 CO 0.05 0.35 0.25 0.44 0.02 0.00 0.00 177.57 178.67 3isa h ASP 45 N 0.91 0.45 -0.34 0.57 3.32 -1.04 -1.09 116.42 119.19 3isa h ASP 45 Ca 0.19 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3isa h ASP 45 Cb 0.36 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3isa h ASP 45 CO 0.00 0.34 0.21 0.00 -1.72 0.00 0.00 179.24 178.08 3isa h ALA 46 N 1.13 0.43 -0.97 3.45 0.00 -1.06 -1.19 119.26 121.05 3isa h ALA 46 Ca 0.14 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3isa h ALA 46 Cb -0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3isa h ALA 46 CO -0.03 -0.13 0.62 0.00 0.00 0.00 0.00 179.25 179.72 3isa h ALA 47 N 1.14 1.31 -0.30 0.00 0.00 -1.08 -0.95 119.26 119.38 3isa h ALA 47 Ca 0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3isa h ALA 47 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3isa h ALA 47 CO -0.04 0.45 0.18 1.25 0.00 0.00 0.00 179.25 181.09 3isa h HIS 48 N 1.17 0.39 -0.54 0.00 6.17 -0.80 -0.02 115.15 121.52 3isa h HIS 48 Ca 0.40 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.47 3isa h HIS 48 Cb 0.09 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 29.87 3isa h HIS 48 CO -0.01 0.28 0.26 0.00 0.71 0.00 0.00 177.93 179.18 3isa h ARG 49 N 0.38 0.75 -0.06 5.26 3.08 -0.65 -2.58 114.38 120.57 3isa h ARG 49 Ca 0.11 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3isa h ARG 49 Cb 0.01 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3isa h ARG 49 CO -0.02 0.57 0.00 0.39 -1.07 0.00 0.00 179.97 179.84 3isa n GLU 50 N -4.38 1.85 -3.85 0.04 1.02 -0.42 -4.95 120.64 109.95 3isa n GLU 50 Ca 0.05 -1.24 -0.27 0.00 -0.02 0.00 0.00 57.16 55.68 3isa n GLU 50 Cb 0.12 -1.47 0.02 0.00 -0.02 0.00 0.00 31.44 30.10 3isa n GLU 50 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3isa n GLN 51 N 0.49 -4.99 -1.74 3.49 6.02 -0.08 -4.91 117.38 115.66 3isa n GLN 51 Ca 0.18 0.58 -0.42 0.00 -0.01 0.00 0.00 57.00 57.32 3isa n GLN 51 Cb 0.41 -5.26 -0.03 0.00 1.02 0.00 0.00 30.24 26.38 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 -3.51 2.52 0.20 5.09 1.01 -0.83 -4.91 120.40 119.98 3isa s VAL 52 Ca 0.35 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3isa s VAL 52 Cb -0.18 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.29 3isa s VAL 52 CO 0.83 0.00 1.82 -0.65 0.00 0.00 0.00 175.10 177.10 3isa h PRO 53 N 8.35 1.03 -4.79 2.72 0.11 -1.81 -3.41 132.00 134.21 3isa h PRO 53 Ca -0.45 -0.12 -0.53 0.00 0.11 0.00 0.00 66.00 65.01 3isa h PRO 53 Cb 1.21 -0.20 -0.33 0.00 0.11 0.00 0.00 31.00 31.80 3isa h PRO 53 CO 0.95 0.77 -0.82 -1.17 -0.21 0.00 0.00 178.00 177.51 3isa s LEU 54 N -9.94 1.76 -0.17 2.35 2.96 -0.58 -0.59 118.68 114.46 3isa s LEU 54 Ca -0.13 -0.32 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 3isa s LEU 54 Cb 0.15 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 3isa s LEU 54 CO 0.80 0.08 -0.01 -0.76 -1.32 0.00 0.00 176.35 175.13 3isa s LEU 55 N 0.44 3.34 -0.15 -0.68 1.43 0.25 -1.56 118.68 121.75 3isa s LEU 55 Ca -0.11 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3isa s LEU 55 Cb -0.14 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3isa s LEU 55 CO 0.03 0.14 -0.03 -0.69 0.23 0.00 0.00 176.35 176.03 3isa s VAL 56 N 0.57 4.00 -0.11 -1.59 1.01 0.26 -0.67 120.40 123.88 3isa s VAL 56 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3isa s VAL 56 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3isa s VAL 56 CO 0.02 0.50 -0.15 -0.36 0.00 0.00 0.00 175.10 175.12 3isa s PHE 57 N 0.20 2.76 0.16 5.22 0.08 0.11 -0.24 117.98 126.27 3isa s PHE 57 Ca -0.01 -0.57 -0.10 0.00 0.12 0.00 0.00 56.93 56.36 3isa s PHE 57 Cb -0.14 -1.78 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 3isa s PHE 57 CO 0.03 -0.14 0.31 0.00 -0.10 0.00 0.00 175.22 175.31 3isa s ALA 58 N 0.11 -0.12 -0.04 5.36 0.00 -0.53 -1.85 121.76 124.69 3isa s ALA 58 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3isa s ALA 58 Cb -0.15 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 3isa s ALA 58 CO 0.05 -0.66 -0.16 0.20 0.00 0.00 0.00 175.76 175.19 3isa s GLY 59 N -2.95 0.85 0.59 0.00 0.00 -1.26 -0.85 107.32 103.70 3isa s GLY 59 Ca 0.16 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.07 3isa s GLY 59 CO -0.01 -0.35 1.06 0.00 0.00 0.00 0.00 173.10 173.80 3isa s ALA 60 N 0.00 2.75 0.00 3.20 0.00 0.64 -4.72 121.76 123.64 3isa s ALA 60 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3isa s ALA 60 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3isa s ALA 60 CO 0.02 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3isa n GLY 61 N -0.94 0.37 0.04 0.00 0.00 -1.26 -4.20 105.19 99.20 3isa n GLY 61 Ca 0.09 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.12 3isa n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3isa n ARG 62 N 8.04 0.18 -4.16 1.61 5.12 -1.26 -4.97 116.66 121.22 3isa n ARG 62 Ca 0.00 0.07 -0.17 0.00 -1.93 0.00 0.00 57.85 55.82 3isa n ARG 62 Cb 0.00 -1.63 -0.05 0.00 -1.16 0.00 0.00 32.46 29.62 3isa n ARG 62 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3isa s ASN 63 N -3.80 1.28 -0.08 0.55 4.22 -1.26 -3.14 114.94 112.72 3isa s ASN 63 Ca 0.09 -1.62 -0.02 0.00 -2.14 0.00 0.00 52.86 49.16 3isa s ASN 63 Cb 0.15 0.64 -0.01 0.00 1.28 0.00 0.00 41.25 43.31 3isa s ASN 63 CO 0.68 -1.23 -0.05 0.15 -2.04 0.00 0.00 177.10 174.62 3isa h PHE 64 N 2.10 0.00 -1.72 1.54 3.57 -1.75 -3.37 116.94 117.31 3isa h PHE 64 Ca -0.27 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.28 3isa h PHE 64 Cb 1.24 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 39.73 3isa h PHE 64 CO 1.66 0.00 0.33 0.45 -2.23 0.00 0.00 178.31 178.52 3isa s SER 65 N -4.79 -0.58 -0.02 0.41 0.15 -1.26 -4.32 113.70 103.29 3isa s SER 65 Ca -0.04 1.05 0.07 0.00 0.70 0.00 0.00 55.95 57.73 3isa s SER 65 Cb 0.01 1.12 0.23 0.00 -1.71 0.00 0.00 66.02 65.66 3isa s SER 65 CO 0.06 -0.18 1.13 0.00 1.20 0.00 0.00 173.24 175.45 3isa n ALA 66 N 2.79 2.56 -0.47 5.45 0.00 -0.18 -2.02 120.51 128.63 3isa n ALA 66 Ca -0.15 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3isa n ALA 66 Cb 0.56 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.75 0.02 3.64 0.00 0.00 -0.91 -4.37 105.19 104.32 3isa n GLY 67 Ca 0.08 -0.96 -0.55 0.00 0.00 0.00 0.00 46.02 44.59 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 1.70 -2.40 1.61 7.35 -1.26 -0.07 117.46 124.39 3isa n PHE 68 Ca 0.00 0.64 -0.43 0.00 -0.76 0.00 0.00 57.45 56.90 3isa n PHE 68 Cb 0.00 -2.37 -0.02 0.00 0.35 0.00 0.00 39.48 37.44 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 1.81 6.34 0.00 -2.13 -1.08 -0.82 -4.66 116.67 116.13 3isa s ASP 69 Ca 0.91 0.67 0.29 0.00 -0.52 0.00 0.00 52.55 53.90 3isa s ASP 69 Cb -1.04 -2.54 1.31 0.00 -1.46 0.00 0.00 42.92 39.19 3isa s ASP 69 CO 0.56 -1.46 1.89 0.49 0.52 0.00 0.00 175.17 177.18 3isa n PHE 70 N 8.82 0.00 -0.38 -5.34 3.72 -1.26 -4.58 117.46 118.44 3isa n PHE 70 Ca 0.15 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.48 3isa n PHE 70 Cb 0.48 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.97 3isa n PHE 70 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 3isa h THR 71 N 1.46 0.01 -0.91 4.37 2.02 -2.00 -2.09 112.91 115.76 3isa h THR 71 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 3isa h THR 71 Cb 0.34 0.01 -0.39 0.00 -1.74 0.00 0.00 68.15 66.36 3isa h THR 71 CO 0.00 0.00 -0.35 0.47 0.37 0.00 0.00 175.52 176.01 3isa n ASP 72 N -5.35 5.65 0.13 4.18 8.00 -1.26 -4.76 116.55 123.14 3isa n ASP 72 Ca 0.05 -3.76 -0.00 0.00 0.71 0.00 0.00 54.79 51.79 3isa n ASP 72 Cb 0.33 -0.52 0.27 0.00 -0.02 0.00 0.00 41.12 41.17 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 2.20 0.15 -0.31 1.24 -0.00 -1.68 -2.55 116.97 116.02 3isa h TYR 73 Ca 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 58.73 59.09 3isa h TYR 73 Cb 1.27 -0.03 -0.02 0.00 0.00 0.00 0.00 36.73 37.95 3isa h TYR 73 CO 1.00 0.52 0.06 0.93 -0.00 0.00 0.00 178.16 180.66 3isa h GLU 74 N 0.11 0.46 -0.00 0.10 4.39 -1.86 -1.96 114.58 115.82 3isa h GLU 74 Ca 0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3isa h GLU 74 Cb 0.77 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3isa h GLU 74 CO 0.06 0.44 -0.08 0.25 -1.16 0.00 0.00 179.01 178.52 3isa n THR 75 N -4.35 0.00 -4.01 1.13 -2.24 -0.97 -4.82 114.28 99.03 3isa n THR 75 Ca 0.01 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 3isa n THR 75 Cb 0.19 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.59 3.26 0.80 -0.78 -0.21 -0.74 -5.10 119.66 114.30 3isa s GLN 76 Ca 0.27 -0.36 -0.12 0.00 0.02 0.00 0.00 55.36 55.17 3isa s GLN 76 Cb 0.20 -3.00 0.07 0.00 1.00 0.00 0.00 33.01 31.28 3isa s GLN 76 CO 0.49 0.68 1.13 -1.54 -2.12 0.00 0.00 175.29 173.93 3isa s SER 77 N -1.65 4.55 0.40 5.90 1.04 -1.26 -4.88 113.70 117.79 3isa s SER 77 Ca 0.23 1.04 0.09 0.00 0.48 0.00 0.00 55.95 57.79 3isa s SER 77 Cb -0.12 -1.69 0.82 0.00 0.10 0.00 0.00 66.02 65.13 3isa s SER 77 CO 0.13 -1.91 1.95 -0.33 0.98 0.00 0.00 173.24 174.07 3isa h GLU 78 N -1.05 0.27 -0.61 4.02 5.08 -1.99 -1.76 114.58 118.54 3isa h GLU 78 Ca -0.47 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 3isa h GLU 78 Cb 1.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 3isa h GLU 78 CO 0.63 0.36 0.15 0.78 -1.00 0.00 0.00 179.01 179.93 3isa h GLY 79 N 0.66 1.04 1.00 -3.84 0.00 -1.95 -0.99 103.07 98.99 3isa h GLY 79 Ca 0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 3isa h GLY 79 CO 0.01 0.61 0.41 -0.55 0.00 0.00 0.00 176.54 177.02 3isa h ASP 80 N 0.88 0.78 -0.35 0.19 3.32 -1.71 -0.74 116.42 118.80 3isa h ASP 80 Ca 0.19 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3isa h ASP 80 Cb 0.35 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3isa h ASP 80 CO 0.00 0.60 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.89 3isa h LEU 81 N 0.89 0.74 -0.12 1.55 3.38 -1.24 -1.88 115.31 118.64 3isa h LEU 81 Ca 0.24 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3isa h LEU 81 Cb -0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3isa h LEU 81 CO -0.05 0.98 -0.08 0.25 0.09 0.00 0.00 178.44 179.63 3isa h LEU 82 N 0.50 -0.26 -0.45 1.67 5.85 -0.98 -1.62 115.31 120.02 3isa h LEU 82 Ca 0.08 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3isa h LEU 82 Cb 0.69 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 3isa h LEU 82 CO 0.05 -0.11 0.13 0.25 -0.34 0.00 0.00 178.44 178.42 3isa h LEU 83 N -0.08 0.11 -0.80 2.25 5.85 -1.02 0.76 115.31 122.36 3isa h LEU 83 Ca 0.07 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3isa h LEU 83 Cb 0.19 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3isa h LEU 83 CO -0.17 0.09 0.46 0.03 -0.34 0.00 0.00 178.44 178.51 3isa h ARG 84 N 0.29 1.11 -0.57 1.25 3.08 -1.10 -0.01 114.38 118.43 3isa h ARG 84 Ca 0.22 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3isa h ARG 84 Cb 0.24 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3isa h ARG 84 CO -0.25 0.80 0.07 0.52 -1.07 0.00 0.00 179.97 180.05 3isa h MET 85 N 1.11 0.96 -0.50 0.04 2.86 -0.69 -1.38 114.93 117.33 3isa h MET 85 Ca 0.29 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3isa h MET 85 Cb 0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3isa h MET 85 CO -0.05 0.93 0.27 0.28 1.06 0.00 0.00 176.91 179.40 3isa h VAL 86 N 0.86 1.18 -0.53 -2.22 2.07 -0.44 -1.20 116.25 115.96 3isa h VAL 86 Ca 0.17 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 3isa h VAL 86 Cb 0.44 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3isa h VAL 86 CO 0.01 0.19 0.11 0.03 0.02 0.00 0.00 177.57 177.93 3isa h ARG 87 N 0.67 0.82 -0.03 1.57 2.47 -0.88 -0.36 114.38 118.64 3isa h ARG 87 Ca 0.18 -0.17 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3isa h ARG 87 Cb 0.06 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3isa h ARG 87 CO -0.03 0.75 -0.03 0.82 0.56 0.00 0.00 179.97 182.04 3isa h ILE 88 N 0.79 0.91 -0.91 2.04 2.04 -1.00 -0.30 117.51 121.07 3isa h ILE 88 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3isa h ILE 88 Cb 0.32 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3isa h ILE 88 CO 0.00 0.00 0.53 -0.08 0.00 0.00 0.00 178.15 178.60 3isa h GLU 89 N -0.04 1.25 -0.47 2.37 4.57 -0.63 0.10 114.58 121.74 3isa h GLU 89 Ca 0.03 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3isa h GLU 89 Cb 0.08 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.37 3isa h GLU 89 CO -0.06 0.89 0.25 0.52 -1.18 0.00 0.00 179.01 179.43 3isa h MET 90 N 1.27 0.48 -0.22 1.92 2.86 -0.92 -0.38 114.93 119.93 3isa h MET 90 Ca 0.32 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.97 3isa h MET 90 Cb -0.02 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3isa h MET 90 CO -0.06 0.32 0.03 1.25 1.06 0.00 0.00 176.91 179.51 3isa h LEU 91 N 0.49 -0.03 -0.74 1.22 5.85 -0.43 -1.61 115.31 120.06 3isa h LEU 91 Ca 0.20 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3isa h LEU 91 Cb 0.09 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3isa h LEU 91 CO -0.13 0.01 0.47 -0.07 -0.34 0.00 0.00 178.44 178.39 3isa h LEU 92 N 0.10 0.87 -0.91 2.25 3.38 -0.57 -1.43 115.31 119.02 3isa h LEU 92 Ca 0.10 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3isa h LEU 92 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3isa h LEU 92 CO -0.15 0.65 0.06 1.56 0.09 0.00 0.00 178.44 180.65 3isa h GLN 93 N 1.01 0.87 -0.45 1.13 4.20 -0.86 0.11 115.11 121.11 3isa h GLN 93 Ca 0.27 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3isa h GLN 93 Cb -0.08 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3isa h GLN 93 CO -0.06 0.83 0.22 0.00 -0.67 0.00 0.00 178.83 179.15 3isa h ARG 94 N 0.82 0.65 0.13 1.46 3.08 -0.75 -1.17 114.38 118.60 3isa h ARG 94 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3isa h ARG 94 Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3isa h ARG 94 CO 0.01 0.55 -0.06 0.28 -1.07 0.00 0.00 179.97 179.68 3isa h VAL 95 N 0.59 1.04 -0.81 2.04 2.07 -1.01 -2.54 116.25 117.63 3isa h VAL 95 Ca 0.16 -0.78 0.09 0.00 0.82 0.00 0.00 66.70 66.98 3isa h VAL 95 Cb 0.11 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3isa h VAL 95 CO -0.02 0.18 0.53 0.00 0.02 0.00 0.00 177.57 178.28 3isa h ALA 96 N 0.25 1.70 -0.54 1.67 0.00 -0.78 -2.06 119.26 119.49 3isa h ALA 96 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3isa h ALA 96 Cb 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3isa h ALA 96 CO 0.03 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3isa n GLY 97 N -1.43 2.51 3.75 0.00 0.00 -0.45 -5.00 105.19 104.57 3isa n GLY 97 Ca 0.13 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 3isa n GLY 97 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3isa s SER 98 N -0.77 6.64 0.36 1.61 0.15 -0.78 -4.91 113.70 115.99 3isa s SER 98 Ca 0.45 2.72 0.27 0.00 0.70 0.00 0.00 55.95 60.10 3isa s SER 98 Cb 0.31 -2.63 1.12 0.00 -1.71 0.00 0.00 66.02 63.11 3isa s SER 98 CO 0.18 -0.69 1.81 -0.65 1.20 0.00 0.00 173.24 175.09 3isa h PRO 99 N 4.46 0.00 -7.14 5.44 0.11 -1.91 -3.44 132.00 129.52 3isa h PRO 99 Ca -0.47 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.16 3isa h PRO 99 Cb 1.22 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.36 3isa h PRO 99 CO 0.74 0.00 0.37 -1.12 -0.21 0.00 0.00 178.00 177.78 3isa s SER 100 N -4.73 6.31 0.51 -2.05 0.01 -1.26 -4.18 113.70 108.30 3isa s SER 100 Ca 0.03 1.77 -0.22 0.00 1.31 0.00 0.00 55.95 58.85 3isa s SER 100 Cb 0.09 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 3isa s SER 100 CO 0.44 -0.81 1.24 -0.22 0.41 0.00 0.00 173.24 174.31 3isa s LEU 101 N -3.92 3.89 -0.02 2.44 2.96 0.24 -4.88 118.68 119.39 3isa s LEU 101 Ca 0.63 2.49 0.03 0.00 -0.22 0.00 0.00 54.13 57.07 3isa s LEU 101 Cb -0.14 -4.31 -0.00 0.00 0.50 0.00 0.00 46.19 42.23 3isa s LEU 101 CO 0.27 -1.28 -0.12 0.42 -1.32 0.00 0.00 176.35 174.33 3isa s THR 102 N -1.46 0.98 -0.04 3.68 -4.23 -1.26 -0.58 115.64 112.72 3isa s THR 102 Ca 0.69 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 3isa s THR 102 Cb -0.33 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 72.69 3isa s THR 102 CO 0.39 0.29 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.48 3isa s LEU 103 N -0.09 1.43 0.01 4.79 2.96 0.16 -0.81 118.68 127.13 3isa s LEU 103 Ca 0.01 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.84 3isa s LEU 103 Cb -0.07 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 46.09 3isa s LEU 103 CO 0.00 -0.03 -0.23 0.00 -1.32 0.00 0.00 176.35 174.77 3isa s ALA 104 N 0.80 1.92 -0.27 5.97 0.00 -0.35 0.05 121.76 129.87 3isa s ALA 104 Ca -0.12 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3isa s ALA 104 Cb -0.14 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.62 3isa s ALA 104 CO 0.01 0.46 0.01 -0.51 0.00 0.00 0.00 175.76 175.73 3isa s LEU 105 N -0.88 2.81 -0.09 0.00 1.43 -0.77 -1.93 118.68 119.26 3isa s LEU 105 Ca 0.09 -1.46 -0.06 0.00 -1.03 0.00 0.00 54.13 51.67 3isa s LEU 105 Cb -0.09 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3isa s LEU 105 CO 0.01 -0.31 0.16 0.00 0.23 0.00 0.00 176.35 176.43 3isa s ALA 106 N 1.39 3.89 0.20 4.21 0.00 -0.21 -4.46 121.76 126.77 3isa s ALA 106 Ca 0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 3isa s ALA 106 Cb -0.18 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3isa s ALA 106 CO -0.11 0.64 0.28 -3.38 0.00 0.00 0.00 175.76 173.19 3isa s HIS 107 N -1.10 0.65 0.00 0.00 -3.43 -1.26 -1.50 115.29 108.64 3isa s HIS 107 Ca 0.18 -0.97 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 3isa s HIS 107 Cb -0.12 -0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.86 3isa s HIS 107 CO 0.08 -0.76 0.00 0.41 -2.00 0.00 0.00 174.74 172.47 3isa n GLY 108 N -0.27 -0.09 3.68 -1.38 0.00 -1.19 -2.33 105.19 103.61 3isa n GLY 108 Ca -0.03 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 4.13 0.08 1.61 1.81 -1.26 -1.07 118.95 124.24 3isa s ARG 109 Ca 0.00 -0.13 0.10 0.00 -1.72 0.00 0.00 55.73 53.98 3isa s ARG 109 Cb 0.00 -3.51 -0.03 0.00 -0.45 0.00 0.00 34.95 30.95 3isa s ARG 109 CO 0.00 0.09 -0.26 -0.80 -0.68 0.00 0.00 175.30 173.65 3isa s ASN 110 N 0.90 3.30 0.02 0.23 0.01 -0.20 -4.64 114.94 114.55 3isa s ASN 110 Ca 0.11 -0.64 0.01 0.00 -0.71 0.00 0.00 52.86 51.64 3isa s ASN 110 Cb -0.13 -0.30 -0.01 0.00 0.41 0.00 0.00 41.25 41.22 3isa s ASN 110 CO 0.04 0.23 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.45 3isa s PHE 111 N -0.92 0.43 0.00 2.20 0.08 -0.86 -1.18 117.98 117.74 3isa s PHE 111 Ca 0.13 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.90 3isa s PHE 111 Cb -0.10 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.08 3isa s PHE 111 CO 0.04 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.51 3isa n GLY 112 N 2.27 3.58 0.32 4.36 0.00 0.69 -1.10 105.19 115.30 3isa n GLY 112 Ca -0.18 0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.78 1.78 -0.41 4.61 0.00 -1.90 0.26 119.26 122.82 3isa h ALA 113 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3isa h ALA 113 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3isa h ALA 113 CO 0.00 -0.22 0.19 0.78 0.00 0.00 0.00 179.25 180.00 3isa h GLY 114 N 0.00 0.63 1.31 0.00 0.00 -1.32 0.54 103.07 104.23 3isa h GLY 114 Ca 0.07 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3isa h GLY 114 CO -0.00 0.31 -0.07 -2.08 0.00 0.00 0.00 176.54 174.69 3isa h VAL 115 N 0.52 1.26 -0.24 4.60 2.07 -0.99 -2.44 116.25 121.02 3isa h VAL 115 Ca 0.14 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.41 3isa h VAL 115 Cb 0.13 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3isa h VAL 115 CO -0.02 0.39 -0.32 0.44 0.02 0.00 0.00 177.57 178.08 3isa h ASP 116 N 0.75 0.52 -0.45 0.57 3.32 -0.92 -0.22 116.42 119.99 3isa h ASP 116 Ca 0.13 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3isa h ASP 116 Cb 0.56 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3isa h ASP 116 CO 0.03 0.81 0.21 0.25 -1.72 0.00 0.00 179.24 178.83 3isa h LEU 117 N 0.43 0.59 -0.18 1.55 5.85 -0.78 -0.45 115.31 122.32 3isa h LEU 117 Ca 0.05 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3isa h LEU 117 Cb 0.78 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3isa h LEU 117 CO 0.06 0.56 -0.12 0.15 -0.34 0.00 0.00 178.44 178.76 3isa h PHE 118 N 0.58 -0.29 -0.34 1.25 3.57 -1.32 -2.78 116.94 117.63 3isa h PHE 118 Ca 0.15 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3isa h PHE 118 Cb 0.13 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3isa h PHE 118 CO -0.01 -0.18 0.22 0.00 -2.23 0.00 0.00 178.31 176.12 3isa h ALA 119 N 1.03 1.86 0.00 2.41 0.00 -0.62 -1.79 119.26 122.14 3isa h ALA 119 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3isa h ALA 119 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3isa h ALA 119 CO -0.25 0.11 -0.05 0.00 0.00 0.00 0.00 179.25 179.06 3isa h ALA 120 N 1.80 1.04 -2.15 0.00 0.00 -0.80 -3.44 119.26 115.72 3isa h ALA 120 Ca 0.13 -0.05 -0.46 0.00 0.00 0.00 0.00 54.91 54.54 3isa h ALA 120 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3isa h ALA 120 CO -0.03 0.06 0.27 0.00 0.00 0.00 0.00 179.25 179.55 3isa h LYS 122 N 1.88 0.23 -5.18 0.00 1.79 -1.75 -3.42 116.57 110.12 3isa h LYS 122 Ca -0.48 -0.39 -0.62 0.00 -2.18 0.00 0.00 60.65 56.97 3isa h LYS 122 Cb 1.18 0.15 -0.14 0.00 -1.58 0.00 0.00 32.23 31.83 3isa h LYS 122 CO 0.62 1.19 -0.26 -1.58 -1.08 0.00 0.00 179.45 178.34 3isa s TRP 123 N -2.44 3.27 -0.14 -1.35 0.52 0.01 -5.00 118.94 113.81 3isa s TRP 123 Ca -0.18 0.41 -0.00 0.00 0.02 0.00 0.00 56.10 56.35 3isa s TRP 123 Cb 0.03 -2.53 0.03 0.00 -1.15 0.00 0.00 33.47 29.84 3isa s TRP 123 CO 0.77 -0.17 -0.09 1.03 0.02 0.00 0.00 176.95 178.51 3isa s ARG 124 N 1.87 1.74 0.07 4.98 0.52 -1.26 -1.21 118.95 125.66 3isa s ARG 124 Ca 0.15 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 3isa s ARG 124 Cb -0.15 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.42 3isa s ARG 124 CO 0.09 -0.30 -0.17 0.71 0.02 0.00 0.00 175.30 175.65 3isa s TYR 125 N 1.62 1.47 0.06 -0.53 2.02 -0.81 -0.17 117.35 121.00 3isa s TYR 125 Ca 0.04 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3isa s TYR 125 Cb -0.13 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 3isa s TYR 125 CO -0.09 0.10 0.01 0.00 -1.57 0.00 0.00 175.55 173.99 3isa s THR 127 N -3.86 3.01 0.38 0.00 -4.23 -0.56 -0.69 115.64 109.69 3isa s THR 127 Ca 0.06 0.46 0.29 0.00 -1.18 0.00 0.00 61.69 61.32 3isa s THR 127 Cb 0.07 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.24 3isa s THR 127 CO -0.10 -0.31 1.86 -0.65 -0.54 0.00 0.00 174.62 174.89 3isa h PRO 128 N -0.21 0.00 -0.02 3.99 0.11 -1.91 -2.03 132.00 131.93 3isa h PRO 128 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3isa h PRO 128 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3isa h PRO 128 CO 0.52 0.00 -0.20 0.39 -0.21 0.00 0.00 178.00 178.51 3isa n GLU 129 N -2.65 1.73 -2.07 1.05 4.71 -1.26 -4.53 120.64 117.61 3isa n GLU 129 Ca -0.02 -1.37 -0.37 0.00 -0.01 0.00 0.00 57.16 55.38 3isa n GLU 129 Cb 0.23 -1.47 0.01 0.00 -1.01 0.00 0.00 31.44 29.20 3isa n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3isa s ALA 130 N -2.22 2.87 0.11 0.62 0.00 -0.76 -4.63 121.76 117.75 3isa s ALA 130 Ca 0.25 1.08 0.07 0.00 0.00 0.00 0.00 51.96 53.36 3isa s ALA 130 Cb 0.19 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3isa s ALA 130 CO 0.42 -0.96 -0.17 0.20 0.00 0.00 0.00 175.76 175.25 3isa s GLY 131 N -1.25 1.13 -0.02 0.00 0.00 -0.23 -2.12 107.32 104.83 3isa s GLY 131 Ca 0.68 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 44.18 3isa s GLY 131 CO 0.39 -1.27 -0.05 -1.36 0.00 0.00 0.00 173.10 170.81 3isa s PHE 132 N -1.58 0.56 -0.09 1.90 0.08 -0.30 -1.04 117.98 117.52 3isa s PHE 132 Ca 0.06 -0.12 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 3isa s PHE 132 Cb -0.08 -0.43 0.04 0.00 -0.57 0.00 0.00 43.02 41.98 3isa s PHE 132 CO 0.04 -0.07 0.21 0.50 -0.10 0.00 0.00 175.22 175.79 3isa s ARG 133 N 0.27 0.17 -0.60 0.44 3.52 -0.32 -0.34 118.95 122.09 3isa s ARG 133 Ca -0.03 0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 56.00 3isa s ARG 133 Cb -0.07 -0.12 0.15 0.00 -1.56 0.00 0.00 34.95 33.36 3isa s ARG 133 CO -0.00 -0.15 0.40 -1.64 -0.81 0.00 0.00 175.30 173.10 3isa s MET 134 N 1.12 2.44 0.00 5.12 -1.94 -1.26 -0.23 119.30 124.55 3isa s MET 134 Ca -0.08 -2.52 0.26 0.00 -1.71 0.00 0.00 55.69 51.64 3isa s MET 134 Cb -0.10 -3.65 0.74 0.00 2.01 0.00 0.00 34.83 33.83 3isa s MET 134 CO -0.07 -1.16 1.56 -0.35 -0.01 0.00 0.00 175.02 174.99 3isa n PRO 135 N 3.46 1.29 0.14 2.03 -0.04 -1.26 -4.57 135.00 136.04 3isa n PRO 135 Ca 0.07 -0.82 0.18 0.00 -0.04 0.00 0.00 63.50 62.89 3isa n PRO 135 Cb 0.37 -1.48 0.78 0.00 -0.04 0.00 0.00 33.50 33.12 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 4.88 0.00 2.00 0.55 0.00 -1.92 -0.85 103.07 107.73 3isa h GLY 136 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3isa h GLY 136 CO 0.00 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.87 3isa h LEU 137 N 0.00 0.00 -2.01 3.11 3.38 -1.79 0.35 115.31 118.35 3isa h LEU 137 Ca 0.14 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.22 3isa h LEU 137 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3isa h LEU 137 CO -0.00 0.08 0.28 0.11 0.09 0.00 0.00 178.44 178.99 3isa h LYS 138 N 0.00 0.00 -0.23 1.13 1.79 -1.48 -0.69 116.57 117.10 3isa h LYS 138 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3isa h LYS 138 Cb 0.16 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3isa h LYS 138 CO 0.01 0.00 -0.01 1.97 -1.08 0.00 0.00 179.45 180.34 3isa n PHE 139 N -4.38 0.81 -0.65 -1.35 1.16 -0.57 -4.90 117.46 107.59 3isa n PHE 139 Ca 0.06 -0.97 0.00 0.00 -1.87 0.00 0.00 57.45 54.67 3isa n PHE 139 Cb 0.46 -0.31 0.00 0.00 -1.61 0.00 0.00 39.48 38.03 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 -0.72 0.87 3.71 4.97 0.00 -0.26 -4.75 105.19 109.00 3isa n GLY 140 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 4.37 -0.61 0.99 2.96 0.01 -4.74 118.68 121.65 3isa s LEU 141 Ca 0.00 2.14 -0.01 0.00 -0.22 0.00 0.00 54.13 56.04 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 -0.56 0.41 -0.69 -1.32 0.00 0.00 176.35 174.19 3isa s VAL 142 N 1.17 3.45 -0.07 1.68 1.01 -1.26 -3.23 120.40 123.15 3isa s VAL 142 Ca 0.61 -3.09 0.00 0.00 0.00 0.00 0.00 61.98 59.50 3isa s VAL 142 Cb -0.32 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3isa s VAL 142 CO 0.29 -0.87 -0.05 -0.22 0.00 0.00 0.00 175.10 174.26 3isa s LEU 143 N -0.18 1.13 0.00 3.92 2.96 -1.26 -3.46 118.68 121.79 3isa s LEU 143 Ca 0.17 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3isa s LEU 143 Cb -0.21 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.90 3isa s LEU 143 CO -0.03 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 3isa n GLY 144 N 4.53 0.73 0.27 7.98 0.00 -1.26 -4.92 105.19 112.51 3isa n GLY 144 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.49 -0.32 2.61 2.02 -1.98 -0.81 112.91 114.92 3isa h THR 145 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 3isa h THR 145 Cb 0.02 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3isa h THR 145 CO 0.00 0.00 -0.26 0.03 0.37 0.00 0.00 175.52 175.66 3isa h ARG 146 N -0.45 0.65 -0.53 6.66 3.08 -1.98 -1.74 114.38 120.07 3isa h ARG 146 Ca 0.02 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 3isa h ARG 146 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3isa h ARG 146 CO -0.11 0.85 -0.01 0.00 -1.07 0.00 0.00 179.97 179.63 3isa h ARG 147 N 0.56 0.91 -0.03 0.04 3.08 -1.91 -1.43 114.38 115.61 3isa h ARG 147 Ca 0.08 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 3isa h ARG 147 Cb 0.74 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3isa h ARG 147 CO 0.06 0.91 0.01 0.35 -1.07 0.00 0.00 179.97 180.23 3isa h PHE 148 N 0.84 0.04 -0.58 3.04 3.57 -0.95 -2.55 116.94 120.36 3isa h PHE 148 Ca 0.16 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.77 3isa h PHE 148 Cb 0.51 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 3isa h PHE 148 CO 0.03 0.19 -0.04 -0.09 -2.23 0.00 0.00 178.31 176.17 3isa h ARG 149 N -0.12 0.08 -0.71 1.11 2.43 -1.24 -0.69 114.38 115.25 3isa h ARG 149 Ca 0.01 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3isa h ARG 149 Cb 0.16 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3isa h ARG 149 CO -0.00 0.05 0.47 -0.44 -1.51 0.00 0.00 179.97 178.54 3isa h ASP 150 N 0.08 0.67 0.09 -3.80 3.32 -1.08 0.60 116.42 116.31 3isa h ASP 150 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 3isa h ASP 150 Cb 0.47 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3isa h ASP 150 CO -0.52 0.44 -0.04 0.40 -1.72 0.00 0.00 179.24 177.80 3isa h ILE 151 N 0.76 0.82 0.00 0.35 2.04 -0.95 -3.39 117.51 117.15 3isa h ILE 151 Ca 0.30 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3isa h ILE 151 Cb 0.22 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3isa h ILE 151 CO -0.10 0.25 -0.88 1.33 0.00 0.00 0.00 178.15 178.75 3isa n VAL 152 N -4.82 0.03 0.00 1.67 0.24 -0.34 -4.81 118.33 110.31 3isa n VAL 152 Ca -0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3isa n VAL 152 Cb 0.25 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 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 0.74 0.34 7.63 0.00 0.21 -4.33 105.19 111.24 3isa n GLY 153 Ca 0.04 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.46 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 1.66 0.80 4.61 0.00 -1.95 -1.09 119.26 123.29 3isa h ALA 154 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3isa h ALA 154 Cb 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3isa h ALA 154 CO 0.00 0.28 -0.38 0.22 0.00 0.00 0.00 179.25 179.37 3isa h ASP 155 N 0.73 -0.91 -0.39 0.00 3.58 -1.94 -0.59 116.42 116.90 3isa h ASP 155 Ca 0.24 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 3isa h ASP 155 Cb 0.05 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 3isa h ASP 155 CO -0.06 -0.58 0.13 1.56 -2.88 0.00 0.00 179.24 177.41 3isa h GLN 156 N -1.21 0.67 -0.54 0.28 1.08 -1.73 -1.83 115.11 111.83 3isa h GLN 156 Ca -0.11 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 56.94 3isa h GLN 156 Cb 0.84 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 3isa h GLN 156 CO 0.18 0.59 0.18 0.00 -0.95 0.00 0.00 178.83 178.83 3isa h ALA 157 N 1.50 0.71 -0.53 3.87 0.00 -1.15 -1.66 119.26 122.00 3isa h ALA 157 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3isa h ALA 157 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3isa h ALA 157 CO -0.01 0.37 0.22 1.25 0.00 0.00 0.00 179.25 181.08 3isa h LEU 158 N 0.75 0.72 -0.85 0.00 5.85 -0.69 0.20 115.31 121.30 3isa h LEU 158 Ca 0.18 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3isa h LEU 158 Cb 0.27 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3isa h LEU 158 CO -0.01 0.68 0.54 0.28 -0.34 0.00 0.00 178.44 179.60 3isa h SER 159 N 0.71 0.89 0.01 1.25 0.02 -1.04 0.32 113.55 115.71 3isa h SER 159 Ca 0.18 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3isa h SER 159 Cb 0.18 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3isa h SER 159 CO -0.02 0.60 -0.01 0.40 -1.14 0.00 0.00 176.83 176.67 3isa h ILE 160 N 1.04 0.81 -0.04 3.27 2.04 -1.16 -3.36 117.51 120.11 3isa h ILE 160 Ca 0.34 -1.57 -0.16 0.00 1.00 0.00 0.00 64.86 64.47 3isa h ILE 160 Cb 0.04 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3isa h ILE 160 CO -0.13 0.27 -0.68 -0.07 0.00 0.00 0.00 178.15 177.54 3isa h LEU 161 N -0.99 0.21 -1.75 1.44 3.38 -0.65 -1.70 115.31 115.25 3isa h LEU 161 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3isa h LEU 161 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3isa h LEU 161 CO 0.00 0.83 -0.03 1.23 0.09 0.00 0.00 178.44 180.56 3isa h GLY 162 N 1.67 0.12 -1.10 0.83 0.00 -1.06 -0.89 103.07 102.63 3isa h GLY 162 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3isa h GLY 162 CO 0.10 0.05 -0.32 1.44 0.00 0.00 0.00 176.54 177.81 3isa n SER 163 N -4.43 2.17 -4.11 0.19 7.64 -1.19 -4.98 113.62 108.90 3isa n SER 163 Ca -0.02 -1.58 -0.30 0.00 1.01 0.00 0.00 58.87 57.98 3isa n SER 163 Cb 0.16 0.31 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.27 -1.74 -2.86 -0.43 0.00 -0.34 -4.93 120.51 110.48 3isa n ALA 164 Ca 0.11 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 3isa n ALA 164 Cb 0.49 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 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 -6.82 3.08 0.68 0.00 1.70 -0.71 -4.55 118.95 112.33 3isa s ARG 165 Ca 0.27 -0.88 -0.14 0.00 -0.47 0.00 0.00 55.73 54.51 3isa s ARG 165 Cb -0.15 -2.71 0.01 0.00 -0.57 0.00 0.00 34.95 31.54 3isa s ARG 165 CO 0.92 0.45 1.11 0.00 -1.08 0.00 0.00 175.30 176.70 3isa s ALA 166 N -1.93 2.41 -0.03 7.88 0.00 -1.26 -4.42 121.76 124.41 3isa s ALA 166 Ca 0.33 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 3isa s ALA 166 Cb -0.09 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3isa s ALA 166 CO 0.26 -1.40 0.12 -0.59 0.00 0.00 0.00 175.76 174.14 3isa s PHE 167 N -2.41 -0.05 0.49 0.00 -0.12 0.54 -4.99 117.98 111.45 3isa s PHE 167 Ca 0.66 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.67 3isa s PHE 167 Cb -0.20 -0.00 0.10 0.00 -0.63 0.00 0.00 43.02 42.28 3isa s PHE 167 CO 0.44 -0.14 0.68 -0.40 -0.05 0.00 0.00 175.22 175.74 3isa n ASP 168 N 2.41 1.03 -0.16 1.98 5.68 -1.26 -1.15 116.55 125.07 3isa n ASP 168 Ca -0.17 -1.84 -0.04 0.00 -0.50 0.00 0.00 54.79 52.25 3isa n ASP 168 Cb 0.58 -0.43 0.16 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.44 1.15 -0.31 2.12 0.00 -1.66 -0.22 119.26 119.90 3isa h ALA 169 Ca -0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3isa h ALA 169 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3isa h ALA 169 CO 0.25 0.58 0.14 -0.44 0.00 0.00 0.00 179.25 179.77 3isa h ASP 170 N 0.87 0.42 -0.31 0.00 3.32 -1.89 -0.25 116.42 118.58 3isa h ASP 170 Ca 0.19 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3isa h ASP 170 Cb 0.31 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3isa h ASP 170 CO -0.00 0.45 0.08 -0.08 -1.72 0.00 0.00 179.24 177.97 3isa h GLU 171 N 0.36 0.50 -0.64 3.56 4.81 -1.89 -1.42 114.58 119.86 3isa h GLU 171 Ca 0.11 -0.12 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3isa h GLU 171 Cb 0.15 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.39 3isa h GLU 171 CO -0.01 0.57 0.24 0.00 -0.73 0.00 0.00 179.01 179.07 3isa h ALA 172 N 0.91 0.84 -0.08 2.92 0.00 -0.79 -1.11 119.26 121.95 3isa h ALA 172 Ca 0.10 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3isa h ALA 172 Cb 0.29 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3isa h ALA 172 CO 0.00 -0.20 0.04 -0.09 0.00 0.00 0.00 179.25 179.01 3isa h ARG 173 N 0.41 0.12 -0.72 0.00 2.43 -0.89 0.14 114.38 115.88 3isa h ARG 173 Ca 0.33 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.54 3isa h ARG 173 Cb 0.43 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 3isa h ARG 173 CO -0.33 0.19 0.41 -0.09 -1.51 0.00 0.00 179.97 178.64 3isa h ARG 174 N 0.01 0.72 -0.01 0.20 2.43 -0.66 -2.40 114.38 114.68 3isa h ARG 174 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3isa h ARG 174 Cb 0.12 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3isa h ARG 174 CO -0.00 0.48 -0.03 0.44 -1.51 0.00 0.00 179.97 179.34 3isa n ILE 175 N -4.75 0.00 -0.89 1.20 -5.35 -0.47 -4.92 119.36 104.18 3isa n ILE 175 Ca 0.10 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3isa n ILE 175 Cb 0.19 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 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 1.14 0.55 0.26 3.28 0.00 -0.90 -4.45 105.19 105.07 3isa n GLY 176 Ca 0.20 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 0.61 -3.93 1.61 3.57 -1.21 -3.43 116.94 114.16 3isa h PHE 177 Ca 0.00 -0.10 -0.69 0.00 3.53 0.00 0.00 57.97 60.72 3isa h PHE 177 Cb 0.00 -0.16 -0.22 0.00 2.79 0.00 0.00 35.95 38.36 3isa h PHE 177 CO 0.00 0.66 -0.85 0.14 -2.23 0.00 0.00 178.31 176.03 3isa s VAL 178 N -4.75 2.42 0.13 1.41 -7.23 -0.99 -4.83 120.40 106.55 3isa s VAL 178 Ca -0.08 -1.61 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 3isa s VAL 178 Cb 0.14 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 3isa s VAL 178 CO 0.79 0.15 1.78 0.03 -0.31 0.00 0.00 175.10 177.53 3isa h ARG 179 N 4.02 0.28 -2.69 4.82 3.08 -0.83 -3.41 114.38 119.64 3isa h ARG 179 Ca -0.50 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.62 3isa h ARG 179 Cb 1.16 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 31.06 3isa h ARG 179 CO 0.42 0.18 0.34 0.34 -1.07 0.00 0.00 179.97 180.18 3isa s ASP 180 N -5.38 -0.33 -0.01 7.04 -1.08 -1.26 -5.04 116.67 110.61 3isa s ASP 180 Ca -0.13 -0.30 -0.20 0.00 -0.52 0.00 0.00 52.55 51.39 3isa s ASP 180 Cb 0.09 0.57 -0.05 0.00 -1.46 0.00 0.00 42.92 42.07 3isa s ASP 180 CO 0.70 -1.01 0.59 0.00 0.52 0.00 0.00 175.17 175.97 3isa s ALA 182 N -0.10 -0.31 0.93 0.00 0.00 0.13 -4.91 121.76 117.51 3isa s ALA 182 Ca 0.31 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 3isa s ALA 182 Cb -0.18 -0.65 0.15 0.00 0.00 0.00 0.00 23.12 22.45 3isa s ALA 182 CO 0.17 -0.33 1.10 0.00 0.00 0.00 0.00 175.76 176.70 3isa s ALA 183 N 1.64 1.26 0.52 0.00 0.00 -1.26 -3.48 121.76 120.44 3isa s ALA 183 Ca -0.05 0.28 0.22 0.00 0.00 0.00 0.00 51.96 52.42 3isa s ALA 183 Cb -0.12 -3.34 1.44 0.00 0.00 0.00 0.00 23.12 21.11 3isa s ALA 183 CO -0.07 -2.72 2.15 1.96 0.00 0.00 0.00 175.76 177.08 3isa h GLN 184 N -1.83 0.00 -0.08 0.00 4.20 -1.98 -1.80 115.11 113.64 3isa h GLN 184 Ca -0.48 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.25 3isa h GLN 184 Cb 1.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 3isa h GLN 184 CO 0.47 0.05 0.06 0.00 -0.67 0.00 0.00 178.83 178.75 3isa h ALA 185 N 1.95 1.88 0.00 3.87 0.00 -2.06 -2.11 119.26 122.78 3isa h ALA 185 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3isa h ALA 185 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3isa h ALA 185 CO 0.01 -0.10 -0.40 1.04 0.00 0.00 0.00 179.25 179.79 3isa n GLN 186 N -4.21 0.19 -0.24 0.00 6.02 -0.68 -4.41 117.38 114.06 3isa n GLN 186 Ca -0.01 0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 57.00 3isa n GLN 186 Cb 0.17 -1.65 0.04 0.00 1.02 0.00 0.00 30.24 29.82 3isa n GLN 186 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 3isa h TRP 187 N 0.00 0.96 -0.84 1.08 4.06 -1.45 -2.21 115.95 117.54 3isa h TRP 187 Ca 0.00 -0.05 0.07 0.00 2.06 0.00 0.00 58.89 60.97 3isa h TRP 187 Cb 0.67 -0.29 -0.06 0.00 -1.00 0.00 0.00 29.16 28.47 3isa h TRP 187 CO 0.00 0.73 0.51 -1.35 -3.56 0.00 0.00 178.44 174.76 3isa h PRO 188 N 0.91 0.87 -0.61 0.49 0.11 -1.77 -0.65 132.00 131.35 3isa h PRO 188 Ca 0.22 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 3isa h PRO 188 Cb 0.14 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 3isa h PRO 188 CO -0.03 0.58 0.10 0.00 -0.21 0.00 0.00 178.00 178.44 3isa h ALA 189 N 1.42 1.01 -0.65 -0.75 0.00 -1.80 -1.32 119.26 117.16 3isa h ALA 189 Ca 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3isa h ALA 189 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3isa h ALA 189 CO -0.20 0.63 0.38 -0.07 0.00 0.00 0.00 179.25 179.99 3isa h LEU 190 N 0.94 0.79 -0.44 0.00 3.38 -0.96 -0.80 115.31 118.22 3isa h LEU 190 Ca 0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3isa h LEU 190 Cb 0.41 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3isa h LEU 190 CO 0.01 0.64 0.16 0.40 0.09 0.00 0.00 178.44 179.73 3isa h ILE 191 N 0.88 1.21 -0.42 1.22 2.04 -0.88 0.37 117.51 121.94 3isa h ILE 191 Ca 0.23 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.43 3isa h ILE 191 Cb 0.00 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3isa h ILE 191 CO -0.04 0.25 0.24 0.44 0.00 0.00 0.00 178.15 179.04 3isa h ASP 192 N 0.57 0.38 -0.87 1.72 3.32 -1.09 0.46 116.42 120.92 3isa h ASP 192 Ca 0.14 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3isa h ASP 192 Cb 0.23 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3isa h ASP 192 CO -0.01 0.28 0.55 0.00 -1.72 0.00 0.00 179.24 178.33 3isa h ALA 193 N 1.19 1.11 -0.50 3.45 0.00 -0.88 -1.39 119.26 122.24 3isa h ALA 193 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3isa h ALA 193 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3isa h ALA 193 CO -0.08 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.82 3isa h ALA 194 N 1.30 0.66 -0.72 0.00 0.00 -0.53 -0.65 119.26 119.32 3isa h ALA 194 Ca 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3isa h ALA 194 Cb -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3isa h ALA 194 CO -0.06 0.36 0.34 0.00 0.00 0.00 0.00 179.25 179.89 3isa h ALA 195 N 0.99 0.92 -0.42 0.00 0.00 -0.57 0.13 119.26 120.30 3isa h ALA 195 Ca 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3isa h ALA 195 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3isa h ALA 195 CO 0.00 0.49 0.17 1.49 0.00 0.00 0.00 179.25 181.40 3isa h GLU 196 N 1.00 0.64 -0.76 0.00 4.81 -1.12 -1.87 114.58 117.28 3isa h GLU 196 Ca 0.25 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3isa h GLU 196 Cb 0.12 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3isa h GLU 196 CO -0.03 0.59 0.31 0.00 -0.73 0.00 0.00 179.01 179.15 3isa h ALA 197 N 1.01 0.99 -0.35 2.92 0.00 -0.74 -1.96 119.26 121.13 3isa h ALA 197 Ca 0.14 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3isa h ALA 197 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3isa h ALA 197 CO -0.01 0.61 -0.19 0.00 0.00 0.00 0.00 179.25 179.66 3isa h ALA 198 N 1.16 1.00 -0.13 0.00 0.00 -0.56 -2.65 119.26 118.08 3isa h ALA 198 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3isa h ALA 198 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3isa h ALA 198 CO -0.02 0.59 0.00 0.25 0.00 0.00 0.00 179.25 180.07 3isa n THR 199 N -4.14 0.15 0.28 0.00 -2.24 -0.72 -4.12 114.28 103.50 3isa n THR 199 Ca 0.00 -0.38 0.14 0.00 -2.27 0.00 0.00 64.05 61.55 3isa n THR 199 Cb 0.40 0.59 0.80 0.00 -2.10 0.00 0.00 70.33 70.02 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 4.27 1.27 -2.38 6.98 0.00 -0.97 -3.44 119.26 124.99 3isa h ALA 200 Ca 0.00 -0.08 -0.52 0.00 0.00 0.00 0.00 54.91 54.32 3isa h ALA 200 Cb 0.60 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.22 3isa h ALA 200 CO 0.00 0.10 -0.75 -0.51 0.00 0.00 0.00 179.25 178.09 3isa s LEU 201 N -7.15 2.54 0.64 0.00 1.43 -1.26 -5.13 118.68 109.75 3isa s LEU 201 Ca -0.03 -0.99 -0.13 0.00 -1.03 0.00 0.00 54.13 51.95 3isa s LEU 201 Cb 0.13 -0.85 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 3isa s LEU 201 CO 0.56 -0.07 1.05 1.51 0.23 0.00 0.00 176.35 179.63 3isa s ASP 202 N -3.24 5.70 0.24 2.29 -4.77 -1.26 -4.73 116.67 110.89 3isa s ASP 202 Ca 0.24 1.67 -0.06 0.00 -3.30 0.00 0.00 52.55 51.09 3isa s ASP 202 Cb -0.03 -2.51 0.43 0.00 -1.09 0.00 0.00 42.92 39.72 3isa s ASP 202 CO 0.09 -1.23 1.68 -0.65 0.70 0.00 0.00 175.17 175.76 3isa h PRO 203 N -0.15 0.22 -0.59 2.11 0.11 -1.96 0.32 132.00 132.06 3isa h PRO 203 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3isa h PRO 203 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3isa h PRO 203 CO 0.58 0.14 0.10 0.00 -0.21 0.00 0.00 178.00 178.61 3isa h ALA 204 N 1.61 0.79 -0.22 -0.75 0.00 -1.99 -1.48 119.26 117.23 3isa h ALA 204 Ca 0.40 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3isa h ALA 204 Cb 0.67 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3isa h ALA 204 CO -0.53 0.54 -0.59 1.15 0.00 0.00 0.00 179.25 179.82 3isa h THR 205 N 0.88 1.30 -0.38 0.00 2.02 -1.75 -1.73 112.91 113.26 3isa h THR 205 Ca 0.18 -1.82 0.04 0.00 0.77 0.00 0.00 66.41 65.58 3isa h THR 205 Cb 0.41 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 3isa h THR 205 CO 0.01 0.57 0.15 -0.09 0.37 0.00 0.00 175.52 176.54 3isa h ARG 206 N 0.53 0.31 -0.55 6.66 2.43 -0.81 -0.46 114.38 122.49 3isa h ARG 206 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3isa h ARG 206 Cb 1.17 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 3isa h ARG 206 CO 0.12 0.20 0.29 0.00 -1.51 0.00 0.00 179.97 179.07 3isa h ALA 207 N 1.23 0.71 -0.17 2.80 0.00 -1.14 -2.09 119.26 120.59 3isa h ALA 207 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3isa h ALA 207 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3isa h ALA 207 CO -0.15 0.24 0.08 1.15 0.00 0.00 0.00 179.25 180.57 3isa h THR 208 N 0.74 1.14 -0.46 0.00 2.02 -1.11 -1.64 112.91 113.60 3isa h THR 208 Ca 0.19 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 67.06 3isa h THR 208 Cb 0.08 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 3isa h THR 208 CO -0.03 0.13 0.01 0.25 0.37 0.00 0.00 175.52 176.25 3isa h LEU 209 N 0.14 -0.18 -0.40 2.58 5.85 -0.89 0.40 115.31 122.81 3isa h LEU 209 Ca 0.06 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3isa h LEU 209 Cb 0.13 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3isa h LEU 209 CO -0.01 -0.05 0.23 0.45 -0.34 0.00 0.00 178.44 178.72 3isa h HIS 210 N 0.12 0.53 -0.12 1.25 3.86 -1.22 -0.00 115.15 119.57 3isa h HIS 210 Ca 0.23 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.46 3isa h HIS 210 Cb 0.34 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3isa h HIS 210 CO -0.29 0.39 -0.04 -0.09 0.86 0.00 0.00 177.93 178.76 3isa h ARG 211 N 0.52 -0.02 -0.68 2.45 2.43 -0.88 -1.67 114.38 116.53 3isa h ARG 211 Ca 0.14 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3isa h ARG 211 Cb 0.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3isa h ARG 211 CO -0.03 -0.01 0.18 0.28 -1.51 0.00 0.00 179.97 178.88 3isa h VAL 212 N -0.02 1.25 -0.06 0.20 2.07 -0.74 -3.15 116.25 115.81 3isa h VAL 212 Ca 0.06 -0.92 -0.17 0.00 0.82 0.00 0.00 66.70 66.49 3isa h VAL 212 Cb 0.11 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3isa h VAL 212 CO -0.13 0.35 -0.71 -0.07 0.02 0.00 0.00 177.57 177.03 3isa h LEU 213 N 1.01 0.35 -9.92 2.57 3.38 -0.74 -3.46 115.31 108.51 3isa h LEU 213 Ca 0.22 -0.23 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 3isa h LEU 213 Cb 0.33 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.00 3isa h LEU 213 CO -0.00 0.95 0.45 -0.60 0.09 0.00 0.00 178.44 179.32 3isa s ARG 214 N -3.60 4.27 -0.60 1.13 3.52 -0.65 -5.01 118.95 118.01 3isa s ARG 214 Ca -0.04 1.66 -0.20 0.00 -0.13 0.00 0.00 55.73 57.02 3isa s ARG 214 Cb 0.11 -2.75 0.09 0.00 -1.56 0.00 0.00 34.95 30.84 3isa s ARG 214 CO 0.82 -0.08 0.77 0.34 -0.81 0.00 0.00 175.30 176.34 3isa s ASP 215 N -1.29 6.19 -0.49 -2.12 2.15 -1.26 -5.00 116.67 114.85 3isa s ASP 215 Ca 0.54 -1.23 -0.24 0.00 0.43 0.00 0.00 52.55 52.05 3isa s ASP 215 Cb -0.27 -2.33 0.03 0.00 -0.30 0.00 0.00 42.92 40.05 3isa s ASP 215 CO 0.34 -1.18 0.85 -0.62 -0.17 0.00 0.00 175.17 174.38 3isa s ASP 216 N 3.52 6.39 -0.27 -0.34 2.15 -1.26 -4.84 116.67 122.02 3isa s ASP 216 Ca 0.15 -0.21 0.12 0.00 0.43 0.00 0.00 52.55 53.05 3isa s ASP 216 Cb -0.21 -2.41 0.47 0.00 -0.30 0.00 0.00 42.92 40.47 3isa s ASP 216 CO 0.08 -1.04 1.17 0.00 -0.17 0.00 0.00 175.17 175.21 3isa n HIS 217 N 7.00 2.13 -0.12 -5.34 1.44 -1.26 -4.93 115.22 114.14 3isa n HIS 217 Ca 0.02 -2.13 -0.05 0.00 -2.01 0.00 0.00 57.72 53.54 3isa n HIS 217 Cb 0.48 -0.30 0.03 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 2.25 0.14 -0.15 4.39 3.32 -1.99 -0.68 116.42 123.69 3isa h ASP 218 Ca 0.19 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3isa h ASP 218 Cb 1.44 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 3isa h ASP 218 CO 0.54 0.12 0.07 0.44 -1.72 0.00 0.00 179.24 178.68 3isa h ASP 219 N 0.29 0.20 -0.89 6.45 5.19 -1.99 -0.35 116.42 125.32 3isa h ASP 219 Ca 0.18 -0.14 0.08 0.00 -0.62 0.00 0.00 57.03 56.54 3isa h ASP 219 Cb 0.17 -0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.56 3isa h ASP 219 CO -0.19 0.28 0.54 0.00 -3.12 0.00 0.00 179.24 176.75 3isa h ALA 220 N 0.93 1.26 -0.33 3.45 0.00 -1.92 -0.12 119.26 122.53 3isa h ALA 220 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3isa h ALA 220 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3isa h ALA 220 CO -0.01 0.24 0.07 -0.44 0.00 0.00 0.00 179.25 179.11 3isa h ASP 221 N 0.95 0.52 -0.29 0.00 3.32 -0.88 -1.30 116.42 118.73 3isa h ASP 221 Ca 0.41 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 3isa h ASP 221 Cb 0.28 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3isa h ASP 221 CO -0.21 0.62 -0.40 0.25 -1.72 0.00 0.00 179.24 177.78 3isa h LEU 222 N 0.38 0.86 -0.25 1.55 5.85 -0.73 -1.61 115.31 121.36 3isa h LEU 222 Ca 0.10 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.37 3isa h LEU 222 Cb 0.32 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3isa h LEU 222 CO 0.00 1.19 -0.04 0.00 -0.34 0.00 0.00 178.44 179.26 3isa h ALA 223 N 0.69 0.18 -0.73 1.25 0.00 -1.01 0.17 119.26 119.82 3isa h ALA 223 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3isa h ALA 223 Cb 1.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3isa h ALA 223 CO 0.09 -0.45 0.48 0.00 0.00 0.00 0.00 179.25 179.37 3isa h ALA 224 N 1.24 0.92 0.01 0.00 0.00 -1.14 -0.81 119.26 119.48 3isa h ALA 224 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3isa h ALA 224 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3isa h ALA 224 CO -0.24 0.35 -0.01 1.25 0.00 0.00 0.00 179.25 180.61 3isa h LEU 225 N 0.99 -0.01 -0.42 0.00 5.85 -0.99 -1.96 115.31 118.77 3isa h LEU 225 Ca 0.27 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3isa h LEU 225 Cb -0.10 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3isa h LEU 225 CO -0.06 0.20 0.18 0.00 -0.34 0.00 0.00 178.44 178.43 3isa h ALA 226 N 0.75 0.51 -0.24 1.25 0.00 -0.74 -1.49 119.26 119.30 3isa h ALA 226 Ca -0.00 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3isa h ALA 226 Cb 0.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3isa h ALA 226 CO 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.04 3isa h ARG 227 N 0.37 0.05 -0.82 0.00 3.08 -1.17 -0.13 114.38 115.76 3isa h ARG 227 Ca 0.19 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3isa h ARG 227 Cb 0.14 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3isa h ARG 227 CO -0.16 0.03 0.38 0.66 -1.07 0.00 0.00 179.97 179.81 3isa h SER 228 N 0.05 1.09 0.83 7.04 4.64 -0.86 -2.68 113.55 123.66 3isa h SER 228 Ca 0.11 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3isa h SER 228 Cb 0.16 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3isa h SER 228 CO -0.21 0.94 -0.54 0.00 -0.87 0.00 0.00 176.83 176.14 3isa n ALA 229 N -2.42 2.99 1.14 5.18 0.00 -0.60 -3.69 120.51 123.10 3isa n ALA 229 Ca 0.08 -0.25 0.12 0.00 0.00 0.00 0.00 53.44 53.39 3isa n ALA 229 Cb 0.15 -1.19 0.26 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.75 3.37 -1.71 0.00 0.00 -0.07 -4.67 120.51 115.68 3isa n ALA 230 Ca 0.04 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 3isa n ALA 230 Cb 0.41 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.64 4.13 0.24 0.00 -1.52 -1.04 -4.92 119.66 113.92 3isa s GLN 231 Ca 0.19 2.61 -0.30 0.00 -1.95 0.00 0.00 55.36 55.92 3isa s GLN 231 Cb 0.18 -3.36 -0.15 0.00 -0.22 0.00 0.00 33.01 29.47 3isa s GLN 231 CO 0.59 -0.81 1.10 -2.30 -0.25 0.00 0.00 175.29 173.62 3isa n PRO 232 N 4.93 1.35 -0.35 2.91 -0.02 -1.26 -2.82 135.00 139.74 3isa n PRO 232 Ca 0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3isa n PRO 232 Cb 0.37 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.58 0.81 0.12 -1.23 0.00 -1.26 -5.00 105.19 100.21 3isa n GLY 233 Ca 0.12 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.16 -0.74 1.61 3.57 -1.85 -1.25 116.94 118.12 3isa h PHE 234 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3isa h PHE 234 Cb 0.00 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3isa h PHE 234 CO 0.00 -0.11 0.46 -0.22 -2.23 0.00 0.00 178.31 176.21 3isa h LYS 235 N -0.08 0.86 -0.70 1.11 3.64 -1.94 -0.77 116.57 118.69 3isa h LYS 235 Ca 0.06 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3isa h LYS 235 Cb 0.16 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3isa h LYS 235 CO -0.14 0.57 0.23 0.00 -2.27 0.00 0.00 179.45 177.84 3isa h ALA 236 N 1.33 1.10 -0.29 5.00 0.00 -1.90 0.79 119.26 125.28 3isa h ALA 236 Ca 0.30 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3isa h ALA 236 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3isa h ALA 236 CO -0.13 0.62 -0.25 0.00 0.00 0.00 0.00 179.25 179.50 3isa h ARG 237 N 1.02 0.56 -0.04 0.00 3.08 -0.71 -1.28 114.38 117.01 3isa h ARG 237 Ca 0.23 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3isa h ARG 237 Cb 0.26 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3isa h ARG 237 CO -0.01 0.76 0.02 0.82 -1.07 0.00 0.00 179.97 180.48 3isa h ILE 238 N 0.49 1.13 -0.57 2.04 2.04 -0.75 -1.81 117.51 120.09 3isa h ILE 238 Ca 0.07 -0.40 0.11 0.00 1.00 0.00 0.00 64.86 65.64 3isa h ILE 238 Cb 0.69 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.02 3isa h ILE 238 CO 0.05 0.11 0.11 -0.09 0.00 0.00 0.00 178.15 178.33 3isa h ARG 239 N -0.10 0.24 -0.54 2.37 2.43 -0.62 -0.27 114.38 117.89 3isa h ARG 239 Ca 0.01 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3isa h ARG 239 Cb 0.16 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3isa h ARG 239 CO -0.00 0.16 0.14 0.22 -1.51 0.00 0.00 179.97 178.98 3isa h ASP 240 N 0.25 0.80 -0.56 -3.80 3.58 -1.15 -2.09 116.42 113.46 3isa h ASP 240 Ca 0.30 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3isa h ASP 240 Cb 0.43 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3isa h ASP 240 CO -0.39 0.82 0.25 0.22 -2.88 0.00 0.00 179.24 177.26 3isa h TYR 241 N 0.75 0.82 0.00 0.28 3.20 -0.72 -2.89 116.97 118.40 3isa h TYR 241 Ca 0.17 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3isa h TYR 241 Cb 0.32 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 3isa h TYR 241 CO 0.02 0.64 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.05 3isa h LEU 242 N 0.75 0.00 -0.05 2.82 3.38 -0.89 -2.41 115.31 118.91 3isa h LEU 242 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3isa h LEU 242 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3isa h LEU 242 CO -0.02 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3isa h ALA 243 N 1.93 1.00 -2.53 1.53 0.00 -1.18 -3.46 119.26 116.55 3isa h ALA 243 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3isa h ALA 243 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.43 3isa h ALA 243 CO 0.01 0.00 0.96 -0.65 0.00 0.00 0.00 179.25 179.57 3isa s GLN 244 N -3.18 4.20 0.00 0.00 -0.21 -0.91 -5.10 119.66 114.45 3isa s GLN 244 Ca 0.08 2.37 0.28 0.00 0.02 0.00 0.00 55.36 58.12 3isa s GLN 244 Cb 0.08 -3.39 1.13 0.00 1.00 0.00 0.00 33.01 31.83 3isa s GLN 244 CO 0.63 -0.69 1.79 -0.35 -2.12 0.00 0.00 175.29 174.56