#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isa s PHE 2 N 0.00 2.65 0.16 0.66 0.08 -1.26 -5.12 117.98 115.15 1isa s PHE 2 Ca 0.00 -0.20 0.10 0.00 0.12 0.00 0.00 56.93 56.95 1isa s PHE 2 Cb 0.00 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1isa s PHE 2 CO 0.00 0.26 -0.23 -1.21 -0.10 0.00 0.00 175.22 173.94 1isa s GLU 3 N -1.30 1.38 -0.11 0.44 2.02 -1.26 -4.93 118.70 114.94 1isa s GLU 3 Ca 0.15 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.43 1isa s GLU 3 Cb -0.11 -1.66 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 1isa s GLU 3 CO 0.05 0.37 1.58 -1.17 0.02 0.00 0.00 175.26 176.10 1isa s LEU 4 N -2.44 4.21 0.53 1.80 2.96 -1.26 -4.99 118.68 119.48 1isa s LEU 4 Ca 0.16 2.02 -0.22 0.00 -0.22 0.00 0.00 54.13 55.87 1isa s LEU 4 Cb -0.08 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1isa s LEU 4 CO 0.08 -0.96 1.31 -2.84 -1.32 0.00 0.00 176.35 172.61 1isa s PRO 5 N 4.07 3.28 0.44 0.98 0.02 -1.26 -4.97 135.00 137.57 1isa s PRO 5 Ca 0.70 2.12 -0.24 0.00 0.02 0.00 0.00 61.00 63.59 1isa s PRO 5 Cb -0.30 -2.28 -0.08 0.00 0.02 0.00 0.00 34.50 31.86 1isa s PRO 5 CO 0.27 -1.04 1.26 0.00 -0.33 0.00 0.00 177.00 177.15 1isa s ALA 6 N -1.36 3.09 0.32 -1.55 0.00 -1.26 -4.97 121.76 116.03 1isa s ALA 6 Ca 0.70 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.51 1isa s ALA 6 Cb -0.37 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.18 1isa s ALA 6 CO 0.44 -0.85 1.25 -1.17 0.00 0.00 0.00 175.76 175.44 1isa s LEU 7 N -2.79 4.45 0.00 0.00 2.96 -1.26 -4.94 118.68 117.11 1isa s LEU 7 Ca 0.61 2.57 0.14 0.00 -0.22 0.00 0.00 54.13 57.24 1isa s LEU 7 Cb -0.35 -3.65 0.73 0.00 0.50 0.00 0.00 46.19 43.41 1isa s LEU 7 CO 0.44 -0.44 1.36 -2.65 -1.32 0.00 0.00 176.35 173.74 1isa n PRO 8 N 0.88 0.24 -3.89 0.98 -0.02 -1.26 -4.84 135.00 127.09 1isa n PRO 8 Ca -0.00 0.13 -0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1isa n PRO 8 Cb 0.43 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.40 1isa n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1isa s TYR 9 N -2.48 0.15 0.57 6.00 -0.85 -1.26 -5.10 117.35 114.38 1isa s TYR 9 Ca 0.14 -0.66 -0.18 0.00 -0.52 0.00 0.00 57.07 55.85 1isa s TYR 9 Cb 0.09 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 1isa s TYR 9 CO 0.21 -1.32 1.13 0.00 -1.52 0.00 0.00 175.55 174.05 1isa s ALA 10 N -3.23 2.63 -0.28 9.51 0.00 -1.26 -4.91 121.76 124.23 1isa s ALA 10 Ca 0.17 0.79 0.24 0.00 0.00 0.00 0.00 51.96 53.16 1isa s ALA 10 Cb -0.04 -3.36 1.15 0.00 0.00 0.00 0.00 23.12 20.87 1isa s ALA 10 CO 0.10 -0.91 1.74 1.57 0.00 0.00 0.00 175.76 178.26 1isa h LYS 11 N 0.93 0.00 -0.47 0.00 2.10 -1.98 -1.39 116.57 115.77 1isa h LYS 11 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1isa h LYS 11 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1isa h LYS 11 CO 0.56 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.61 1isa n ASP 12 N -2.33 3.26 0.14 7.07 5.75 -1.26 -3.95 116.55 125.23 1isa n ASP 12 Ca 0.00 -1.98 0.13 0.00 -0.01 0.00 0.00 54.79 52.93 1isa n ASP 12 Cb 0.14 -0.31 0.47 0.00 -1.03 0.00 0.00 41.12 40.39 1isa n ASP 12 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1isa h ALA 13 N 2.92 1.00 -0.04 2.12 0.00 -1.61 -3.07 119.26 120.58 1isa h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1isa h ALA 13 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1isa h ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1isa n LEU 14 N -2.37 2.53 -4.78 0.00 4.77 -1.26 -4.37 117.00 111.52 1isa n LEU 14 Ca 0.03 -0.86 -0.35 0.00 -0.03 0.00 0.00 56.01 54.81 1isa n LEU 14 Cb 0.32 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1isa n LEU 14 CO 0.25 0.43 0.76 0.00 -1.33 0.00 0.00 177.39 177.50 1isa s ALA 15 N -1.98 2.81 -2.10 -1.18 0.00 -1.08 -1.57 121.76 116.66 1isa s ALA 15 Ca 0.31 0.75 0.19 0.00 0.00 0.00 0.00 51.96 53.22 1isa s ALA 15 Cb 0.20 -3.32 0.98 0.00 0.00 0.00 0.00 23.12 20.98 1isa s ALA 15 CO 0.31 -0.57 1.65 -0.35 0.00 0.00 0.00 175.76 176.81 1isa n PRO 16 N -1.03 1.26 0.06 0.00 -0.04 -1.26 -4.86 135.00 129.13 1isa n PRO 16 Ca 0.10 -0.39 -0.17 0.00 -0.04 0.00 0.00 63.50 63.00 1isa n PRO 16 Cb 0.51 -1.33 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 1isa n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1isa h HIS 17 N 0.78 0.82 -3.27 0.54 3.86 -1.65 -3.40 115.15 112.83 1isa h HIS 17 Ca 0.00 -0.46 -0.44 0.00 -1.16 0.00 0.00 60.37 58.31 1isa h HIS 17 Cb 0.17 -0.09 -0.37 0.00 1.06 0.00 0.00 27.41 28.18 1isa h HIS 17 CO 0.04 1.29 -0.77 0.42 0.86 0.00 0.00 177.93 179.77 1isa s ILE 18 N -3.24 0.45 0.81 2.45 1.01 -0.75 -4.91 121.20 117.03 1isa s ILE 18 Ca -0.08 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 1isa s ILE 18 Cb 0.08 -0.58 0.08 0.00 0.01 0.00 0.00 42.46 42.04 1isa s ILE 18 CO 0.90 0.27 1.09 -0.94 0.00 0.00 0.00 174.94 176.25 1isa s SER 19 N 1.83 4.29 0.38 3.58 1.04 -1.26 -2.64 113.70 120.92 1isa s SER 19 Ca 0.03 1.46 0.09 0.00 0.48 0.00 0.00 55.95 58.01 1isa s SER 19 Cb -0.12 -2.19 0.76 0.00 0.10 0.00 0.00 66.02 64.56 1isa s SER 19 CO -0.05 -2.12 1.91 0.00 0.98 0.00 0.00 173.24 173.96 1isa h ALA 20 N -1.19 1.48 -0.57 5.32 0.00 -1.91 -2.19 119.26 120.21 1isa h ALA 20 Ca -0.47 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.14 1isa h ALA 20 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1isa h ALA 20 CO 0.57 0.37 -0.01 1.49 0.00 0.00 0.00 179.25 181.67 1isa h GLU 21 N 0.25 0.99 -0.76 0.00 4.81 -1.92 -1.18 114.58 116.76 1isa h GLU 21 Ca 0.05 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1isa h GLU 21 Cb 0.38 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1isa h GLU 21 CO 0.02 0.98 0.32 1.15 -0.73 0.00 0.00 179.01 180.75 1isa h THR 22 N 0.91 1.25 -0.38 0.32 2.02 -1.78 -2.58 112.91 112.67 1isa h THR 22 Ca 0.16 -0.76 -0.10 0.00 0.77 0.00 0.00 66.41 66.49 1isa h THR 22 Cb 0.54 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1isa h THR 22 CO 0.03 0.31 -0.14 0.40 0.37 0.00 0.00 175.52 176.49 1isa h ILE 23 N 1.10 1.28 -0.93 3.11 1.08 -1.02 0.47 117.51 122.60 1isa h ILE 23 Ca 0.26 -1.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.51 1isa h ILE 23 Cb 0.18 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 1isa h ILE 23 CO -0.03 0.41 0.61 1.05 -0.69 0.00 0.00 178.15 179.51 1isa h GLU 24 N 0.56 1.15 0.09 2.37 4.11 -0.96 0.19 114.58 122.09 1isa h GLU 24 Ca 0.09 -0.07 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 1isa h GLU 24 Cb 0.68 -0.26 0.02 0.00 0.50 0.00 0.00 28.75 29.69 1isa h GLU 24 CO 0.05 0.76 -0.65 1.88 0.07 0.00 0.00 179.01 181.12 1isa h TYR 25 N 1.18 0.48 -0.12 2.06 0.05 -1.33 -1.57 116.97 117.72 1isa h TYR 25 Ca 0.37 -0.32 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 1isa h TYR 25 Cb -0.01 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 1isa h TYR 25 CO -0.01 1.22 -0.07 1.25 -1.05 0.00 0.00 178.16 179.50 1isa h HIS 26 N -0.41 0.31 0.00 4.88 2.76 -0.74 0.12 115.15 122.07 1isa h HIS 26 Ca -0.11 -0.08 -0.04 0.00 -2.20 0.00 0.00 60.37 57.94 1isa h HIS 26 Cb 1.47 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 1isa h HIS 26 CO 0.20 0.63 -0.31 -0.92 -1.30 0.00 0.00 177.93 176.23 1isa h TYR 27 N -0.09 0.00 0.00 5.26 3.20 -1.15 -0.41 116.97 123.79 1isa h TYR 27 Ca 0.03 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1isa h TYR 27 Cb 0.55 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1isa h TYR 27 CO 0.07 0.49 -0.23 0.78 -1.64 0.00 0.00 178.16 177.63 1isa h GLY 28 N -1.00 0.00 0.00 1.82 0.00 -1.14 -2.72 103.07 100.03 1isa h GLY 28 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1isa h GLY 28 CO -0.03 0.00 -0.77 0.28 0.00 0.00 0.00 176.54 176.01 1isa n LYS 29 N -3.76 0.16 0.07 4.80 4.76 -0.36 -4.51 118.16 119.31 1isa n LYS 29 Ca -0.01 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.36 1isa n LYS 29 Cb 0.34 -0.77 -0.09 0.00 -1.84 0.00 0.00 35.03 32.67 1isa n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1isa h HIS 30 N -0.28 -0.16 -0.54 2.13 3.86 -0.82 -0.06 115.15 119.28 1isa h HIS 30 Ca -0.09 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.02 1isa h HIS 30 Cb 0.66 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 1isa h HIS 30 CO -0.08 0.17 -0.06 1.25 0.86 0.00 0.00 177.93 180.07 1isa h HIS 31 N -0.51 1.09 -0.64 2.45 -0.00 -1.03 -2.22 115.15 114.30 1isa h HIS 31 Ca -0.02 -0.21 0.04 0.00 -0.00 0.00 0.00 60.37 60.18 1isa h HIS 31 Cb 0.40 -0.28 -0.05 0.00 -0.00 0.00 0.00 27.41 27.49 1isa h HIS 31 CO 0.03 1.01 0.38 0.37 -0.00 0.00 0.00 177.93 179.72 1isa h GLN 32 N 0.86 0.70 -0.77 5.26 5.75 -1.50 -2.81 115.11 122.62 1isa h GLN 32 Ca 0.15 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1isa h GLN 32 Cb 0.61 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 1isa h GLN 32 CO 0.04 0.46 0.42 1.15 -2.65 0.00 0.00 178.83 178.25 1isa h THR 33 N 0.72 1.23 -0.38 2.39 2.02 -0.50 -1.13 112.91 117.26 1isa h THR 33 Ca 0.27 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 1isa h THR 33 Cb 0.08 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1isa h THR 33 CO -0.13 0.25 -0.16 1.88 0.37 0.00 0.00 175.52 177.74 1isa h TYR 34 N 1.07 0.77 0.07 3.16 0.05 -1.18 -0.36 116.97 120.54 1isa h TYR 34 Ca 0.27 -0.15 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 1isa h TYR 34 Cb 0.03 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1isa h TYR 34 CO 0.01 0.81 -0.03 0.28 -1.05 0.00 0.00 178.16 178.17 1isa h VAL 35 N 0.63 1.08 -0.74 -2.88 2.07 -1.17 -1.16 116.25 114.08 1isa h VAL 35 Ca 0.10 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1isa h VAL 35 Cb 0.62 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1isa h VAL 35 CO 0.04 0.12 0.47 0.74 0.02 0.00 0.00 177.57 178.97 1isa h THR 36 N -0.31 1.12 -0.59 2.57 2.02 -1.08 -1.44 112.91 115.21 1isa h THR 36 Ca -0.01 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 1isa h THR 36 Cb 0.27 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1isa h THR 36 CO 0.01 0.17 0.01 0.78 0.37 0.00 0.00 175.52 176.86 1isa h ASN 37 N 0.93 1.01 -0.20 4.18 -0.26 -0.96 -1.26 115.58 119.02 1isa h ASN 37 Ca 0.29 -0.30 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1isa h ASN 37 Cb -0.01 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.97 1isa h ASN 37 CO -0.10 1.07 0.13 0.25 -1.06 0.00 0.00 177.43 177.71 1isa h LEU 38 N 0.92 0.23 -0.59 1.61 5.85 -0.92 -0.24 115.31 122.18 1isa h LEU 38 Ca 0.17 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1isa h LEU 38 Cb 0.55 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1isa h LEU 38 CO 0.03 0.19 0.38 0.78 -0.34 0.00 0.00 178.44 179.48 1isa h ASN 39 N 0.25 0.69 -0.19 1.25 -0.26 -0.93 -0.63 115.58 115.77 1isa h ASN 39 Ca 0.07 -0.03 -0.15 0.00 -0.56 0.00 0.00 56.30 55.63 1isa h ASN 39 Cb -0.00 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 1isa h ASN 39 CO -0.01 0.52 -0.42 0.78 -1.06 0.00 0.00 177.43 177.24 1isa h ASN 40 N 0.80 0.79 -0.12 5.81 -0.26 -1.02 -2.29 115.58 119.29 1isa h ASN 40 Ca 0.22 -0.37 -0.10 0.00 -0.56 0.00 0.00 56.30 55.49 1isa h ASN 40 Cb -0.06 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 36.96 1isa h ASN 40 CO -0.04 1.10 -0.23 -0.07 -1.06 0.00 0.00 177.43 177.13 1isa h LEU 41 N 0.60 0.56 0.00 1.61 4.07 -0.77 -3.24 115.31 118.13 1isa h LEU 41 Ca 0.04 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1isa h LEU 41 Cb 0.97 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1isa h LEU 41 CO 0.09 0.79 -0.60 2.30 -1.08 0.00 0.00 178.44 179.94 1isa n ILE 42 N -4.13 0.02 -1.68 1.22 -5.35 -0.27 -4.88 119.36 104.29 1isa n ILE 42 Ca -0.00 -0.02 -0.48 0.00 -0.27 0.00 0.00 62.75 61.98 1isa n ILE 42 Cb 0.40 0.35 -0.05 0.00 -1.74 0.00 0.00 39.64 38.61 1isa n ILE 42 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1isa n LYS 43 N -1.53 2.09 -0.84 6.28 4.81 -0.87 -1.26 118.16 126.83 1isa n LYS 43 Ca 0.05 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1isa n LYS 43 Cb 0.34 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.82 1isa n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1isa n GLY 44 N 4.08 0.63 3.91 3.14 0.00 -1.26 -5.04 105.19 110.65 1isa n GLY 44 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1isa n GLY 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1isa s THR 45 N -2.25 2.25 0.12 2.61 -4.23 -0.39 -5.01 115.64 108.74 1isa s THR 45 Ca 0.00 -1.34 0.34 0.00 -1.18 0.00 0.00 61.69 59.51 1isa s THR 45 Cb 0.00 -2.59 0.37 0.00 1.34 0.00 0.00 72.50 71.61 1isa s THR 45 CO 0.00 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.09 1isa h ALA 46 N 0.81 1.00 0.00 3.99 0.00 -1.96 -2.81 119.26 120.29 1isa h ALA 46 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1isa h ALA 46 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1isa h ALA 46 CO 0.55 0.00 -0.03 0.74 0.00 0.00 0.00 179.25 180.51 1isa h PHE 47 N 0.00 0.00 0.00 0.00 0.04 -1.95 -2.94 116.94 112.09 1isa h PHE 47 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1isa h PHE 47 Cb 0.30 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 1isa h PHE 47 CO 0.00 0.03 -0.10 1.49 -0.60 0.00 0.00 178.31 179.12 1isa h GLU 48 N 0.00 0.00 -1.00 1.51 4.81 -1.67 -2.75 114.58 115.48 1isa h GLU 48 Ca -0.00 0.00 -0.54 0.00 -0.13 0.00 0.00 59.36 58.69 1isa h GLU 48 Cb 0.44 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.52 1isa h GLU 48 CO 0.00 0.10 0.69 0.41 -0.73 0.00 0.00 179.01 179.48 1isa n GLY 49 N -0.85 4.67 3.35 1.92 0.00 -1.11 -4.69 105.19 108.49 1isa n GLY 49 Ca -0.02 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 1isa n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isa s LYS 50 N -3.35 1.35 0.71 1.61 1.02 -1.04 -5.13 119.74 114.90 1isa s LYS 50 Ca 0.58 -1.57 -0.11 0.00 0.02 0.00 0.00 55.97 54.89 1isa s LYS 50 Cb 0.48 -1.22 0.01 0.00 -0.52 0.00 0.00 37.83 36.59 1isa s LYS 50 CO 0.09 0.21 1.06 -1.54 -0.92 0.00 0.00 175.35 174.26 1isa s SER 51 N -3.20 5.33 0.28 2.83 1.04 -1.26 -4.86 113.70 113.86 1isa s SER 51 Ca 0.22 1.50 0.00 0.00 0.48 0.00 0.00 55.95 58.15 1isa s SER 51 Cb -0.02 -2.37 0.52 0.00 0.10 0.00 0.00 66.02 64.25 1isa s SER 51 CO 0.07 -1.46 1.83 0.25 0.98 0.00 0.00 173.24 174.92 1isa h LEU 52 N -0.73 0.90 -0.56 2.42 5.85 -1.99 -1.17 115.31 120.03 1isa h LEU 52 Ca -0.44 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 1isa h LEU 52 Cb 1.22 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1isa h LEU 52 CO 0.58 0.49 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.84 1isa h GLU 53 N 0.98 0.99 -0.26 1.25 3.07 -1.97 -0.08 114.58 118.57 1isa h GLU 53 Ca 0.48 -0.32 -0.15 0.00 -0.50 0.00 0.00 59.36 58.87 1isa h GLU 53 Cb 0.45 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1isa h GLU 53 CO -0.26 0.99 -0.45 0.93 -1.40 0.00 0.00 179.01 178.83 1isa h GLU 54 N 0.87 0.66 -0.29 2.33 5.08 -1.69 -1.68 114.58 119.86 1isa h GLU 54 Ca 0.16 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1isa h GLU 54 Cb 0.55 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1isa h GLU 54 CO 0.03 0.97 0.16 0.82 -1.00 0.00 0.00 179.01 179.99 1isa h ILE 55 N 0.53 1.02 -0.96 3.13 2.04 -0.79 -1.99 117.51 120.48 1isa h ILE 55 Ca 0.04 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1isa h ILE 55 Cb 0.98 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 1isa h ILE 55 CO 0.09 0.06 0.63 0.40 0.00 0.00 0.00 178.15 179.33 1isa h ILE 56 N 0.33 1.19 0.00 -0.67 2.04 -0.67 -1.99 117.51 117.73 1isa h ILE 56 Ca 0.11 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1isa h ILE 56 Cb 0.01 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 35.93 1isa h ILE 56 CO -0.06 0.23 0.00 0.54 0.00 0.00 0.00 178.15 178.85 1isa n ARG 57 N -4.46 0.15 -0.08 2.37 1.74 -0.66 -3.85 116.66 111.87 1isa n ARG 57 Ca 0.12 0.18 0.03 0.00 -0.77 0.00 0.00 57.85 57.42 1isa n ARG 57 Cb 0.07 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 29.86 1isa n ARG 57 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1isa n SER 58 N -1.96 1.65 -4.60 0.55 3.41 -0.76 -5.08 113.62 106.83 1isa n SER 58 Ca 0.05 -2.24 -0.30 0.00 -0.26 0.00 0.00 58.87 56.13 1isa n SER 58 Cb 0.35 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1isa n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1isa s SER 59 N -1.51 3.70 0.32 4.04 1.04 -0.84 -5.03 113.70 115.42 1isa s SER 59 Ca 0.11 -1.56 0.03 0.00 0.48 0.00 0.00 55.95 55.02 1isa s SER 59 Cb 0.10 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1isa s SER 59 CO 0.01 -0.73 0.32 -1.83 0.98 0.00 0.00 173.24 171.99 1isa s GLU 60 N -3.81 1.74 6.23 4.02 -1.05 -1.26 -4.73 118.70 119.84 1isa s GLU 60 Ca 0.19 -1.89 0.00 0.00 -0.15 0.00 0.00 54.97 53.12 1isa s GLU 60 Cb 0.05 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1isa s GLU 60 CO 0.10 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 176.06 1isa n GLY 61 N -0.56 3.14 0.28 -3.83 0.00 -1.26 -2.65 105.19 100.31 1isa n GLY 61 Ca 0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1isa n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1isa h GLY 62 N 0.00 1.01 0.88 -0.02 0.00 -1.99 -0.45 103.07 102.50 1isa h GLY 62 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1isa h GLY 62 CO 0.00 0.82 0.07 -2.08 0.00 0.00 0.00 176.54 175.34 1isa h VAL 63 N 0.80 1.15 -0.12 4.60 2.07 -1.96 -2.31 116.25 120.49 1isa h VAL 63 Ca 0.10 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1isa h VAL 63 Cb 0.80 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1isa h VAL 63 CO 0.07 0.14 0.07 0.15 0.02 0.00 0.00 177.57 178.02 1isa h PHE 64 N 0.11 0.16 -0.78 1.57 3.57 -1.25 -1.37 116.94 118.95 1isa h PHE 64 Ca 0.05 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1isa h PHE 64 Cb 0.17 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1isa h PHE 64 CO -0.01 0.15 0.49 -0.91 -2.23 0.00 0.00 178.31 175.80 1isa h ASN 65 N 0.13 0.81 0.01 0.41 2.35 -0.88 0.76 115.58 119.16 1isa h ASN 65 Ca 0.04 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.59 1isa h ASN 65 Cb 0.04 -0.17 0.02 0.00 0.05 0.00 0.00 38.32 38.25 1isa h ASN 65 CO -0.01 0.55 -0.82 0.78 -1.65 0.00 0.00 177.43 176.29 1isa h ASN 66 N 0.95 0.70 -0.29 5.81 4.21 -1.40 -2.43 115.58 123.12 1isa h ASN 66 Ca 0.31 -0.76 -0.01 0.00 1.21 0.00 0.00 56.30 57.05 1isa h ASN 66 Cb 0.03 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 1isa h ASN 66 CO -0.12 1.37 0.15 0.00 -1.29 0.00 0.00 177.43 177.54 1isa h ALA 67 N 0.34 0.38 -0.70 -0.83 0.00 -0.91 -0.31 119.26 117.22 1isa h ALA 67 Ca -0.11 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1isa h ALA 67 Cb 1.51 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1isa h ALA 67 CO 0.16 -0.08 0.20 0.00 0.00 0.00 0.00 179.25 179.54 1isa h ALA 68 N 1.01 0.91 -0.17 0.00 0.00 -0.95 -2.47 119.26 117.59 1isa h ALA 68 Ca 0.10 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1isa h ALA 68 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1isa h ALA 68 CO -0.01 0.61 -0.24 1.96 0.00 0.00 0.00 179.25 181.56 1isa h GLN 69 N 1.03 0.30 -0.02 0.00 1.08 -1.05 0.17 115.11 116.63 1isa h GLN 69 Ca 0.22 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1isa h GLN 69 Cb 0.32 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1isa h GLN 69 CO -0.00 0.53 0.01 0.28 -0.95 0.00 0.00 178.83 178.69 1isa h VAL 70 N 0.27 1.10 -0.16 -0.54 2.07 -0.76 -1.88 116.25 116.35 1isa h VAL 70 Ca 0.04 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1isa h VAL 70 Cb 0.58 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1isa h VAL 70 CO 0.04 0.08 0.03 -0.25 0.02 0.00 0.00 177.57 177.49 1isa h TRP 71 N -0.10 0.28 -1.00 1.57 7.01 -1.10 -2.13 115.95 120.49 1isa h TRP 71 Ca 0.01 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.99 1isa h TRP 71 Cb 0.12 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.05 1isa h TRP 71 CO -0.04 0.42 0.66 -0.91 -2.79 0.00 0.00 178.44 175.78 1isa h ASN 72 N 0.06 1.12 0.34 2.65 2.35 -0.67 -0.98 115.58 120.44 1isa h ASN 72 Ca 0.05 -0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.55 1isa h ASN 72 Cb 0.28 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1isa h ASN 72 CO 0.00 0.79 -0.95 0.45 -1.65 0.00 0.00 177.43 176.07 1isa h HIS 73 N 1.31 0.62 -0.67 1.19 3.86 -1.26 -1.47 115.15 118.72 1isa h HIS 73 Ca 0.38 -0.34 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1isa h HIS 73 Cb -0.08 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1isa h HIS 73 CO -0.00 1.16 0.32 1.15 0.86 0.00 0.00 177.93 181.42 1isa h THR 74 N 0.23 1.23 -0.32 2.45 2.02 -0.98 -1.44 112.91 116.09 1isa h THR 74 Ca -0.08 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.47 1isa h THR 74 Cb 1.59 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1isa h THR 74 CO 0.16 0.26 0.20 0.15 0.37 0.00 0.00 175.52 176.67 1isa h PHE 75 N 0.93 0.38 -0.38 3.16 3.57 -1.12 -2.75 116.94 120.72 1isa h PHE 75 Ca 0.23 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.78 1isa h PHE 75 Cb 0.12 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1isa h PHE 75 CO 0.00 0.23 0.17 -0.92 -2.23 0.00 0.00 178.31 175.57 1isa h TYR 76 N 0.41 0.32 -0.34 0.41 3.20 -0.87 -1.90 116.97 118.19 1isa h TYR 76 Ca 0.12 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1isa h TYR 76 Cb -0.03 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1isa h TYR 76 CO -0.06 0.15 0.11 -1.49 -1.64 0.00 0.00 178.16 175.23 1isa h TRP 77 N 0.36 0.48 0.00 -3.82 -0.00 -1.03 -2.07 115.95 109.87 1isa h TRP 77 Ca 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 1isa h TRP 77 Cb 0.10 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 29.11 1isa h TRP 77 CO -0.12 0.40 -0.06 -0.91 -0.00 0.00 0.00 178.44 177.75 1isa h ASN 78 N 0.48 0.00 0.42 -3.49 4.21 -1.09 -2.74 115.58 113.37 1isa h ASN 78 Ca 0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1isa h ASN 78 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 1isa h ASN 78 CO -0.01 0.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.19 1isa s LEU 80 N -2.50 2.53 -0.02 0.00 1.43 -1.04 -0.67 118.68 118.41 1isa s LEU 80 Ca 0.26 -0.71 -0.29 0.00 -1.03 0.00 0.00 54.13 52.36 1isa s LEU 80 Cb 0.17 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 45.13 1isa s LEU 80 CO 0.38 0.16 0.76 0.00 0.23 0.00 0.00 176.35 177.87 1isa s ALA 81 N -1.31 -1.77 0.56 4.21 0.00 -0.04 -4.67 121.76 118.74 1isa s ALA 81 Ca 0.18 1.15 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 1isa s ALA 81 Cb -0.09 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1isa s ALA 81 CO 0.09 -0.49 1.18 -1.25 0.00 0.00 0.00 175.76 175.29 1isa s PRO 82 N -2.02 3.21 -1.36 0.00 0.04 -1.26 -4.07 135.00 129.54 1isa s PRO 82 Ca -0.04 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 1isa s PRO 82 Cb -0.00 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1isa s PRO 82 CO 0.00 -1.00 0.94 0.09 0.04 0.00 0.00 177.00 177.08 1isa n ASN 83 N -1.35 -3.47 0.00 6.66 4.13 -1.26 -4.94 115.26 115.04 1isa n ASN 83 Ca 0.12 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1isa n ASN 83 Cb 0.50 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.29 1isa n ASN 83 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1isa n ALA 84 N -4.52 0.00 -0.50 5.41 0.00 -1.26 -5.12 120.51 114.53 1isa n ALA 84 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1isa n ALA 84 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1isa n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isa n GLY 85 N 0.88 -0.08 6.52 0.00 0.00 -0.26 -4.76 105.19 107.49 1isa n GLY 85 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 45.03 1isa n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isa n GLY 86 N 0.00 -1.47 3.78 -0.02 0.00 -1.24 -4.82 105.19 101.41 1isa n GLY 86 Ca 0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1isa n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isa s GLU 87 N -0.13 4.55 0.88 1.61 2.02 -1.26 -4.99 118.70 121.37 1isa s GLU 87 Ca 0.00 1.13 -0.12 0.00 0.02 0.00 0.00 54.97 56.00 1isa s GLU 87 Cb 0.00 -3.25 0.12 0.00 0.10 0.00 0.00 34.13 31.10 1isa s GLU 87 CO 0.00 0.57 1.15 -1.25 0.02 0.00 0.00 175.26 175.76 1isa s PRO 88 N -1.16 1.37 0.37 0.39 0.04 -1.26 -5.10 135.00 129.65 1isa s PRO 88 Ca 0.35 0.21 0.05 0.00 0.04 0.00 0.00 61.00 61.66 1isa s PRO 88 Cb -0.23 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1isa s PRO 88 CO 0.26 -2.03 0.19 0.95 0.04 0.00 0.00 177.00 176.41 1isa s THR 89 N -3.38 0.34 0.00 1.26 -4.23 -1.26 -4.59 115.64 103.78 1isa s THR 89 Ca 0.63 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1isa s THR 89 Cb -0.13 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1isa s THR 89 CO 0.52 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1isa n GLY 90 N -0.78 0.64 0.29 3.99 0.00 -1.26 -3.09 105.19 104.97 1isa n GLY 90 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.27 1isa n GLY 90 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1isa h LYS 91 N 0.00 0.46 0.11 1.61 3.11 -1.99 -2.52 116.57 117.35 1isa h LYS 91 Ca 0.00 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1isa h LYS 91 Cb 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.14 1isa h LYS 91 CO 0.00 0.39 -0.05 0.28 -2.81 0.00 0.00 179.45 177.26 1isa h VAL 92 N 0.46 0.99 -0.31 2.00 2.07 -1.95 -0.62 116.25 118.89 1isa h VAL 92 Ca 0.12 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1isa h VAL 92 Cb 0.10 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1isa h VAL 92 CO -0.01 0.09 0.12 0.00 0.02 0.00 0.00 177.57 177.79 1isa h ALA 93 N 0.55 1.63 0.24 1.67 0.00 -1.40 -0.47 119.26 121.49 1isa h ALA 93 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1isa h ALA 93 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1isa h ALA 93 CO 0.02 0.29 -0.12 0.93 0.00 0.00 0.00 179.25 180.38 1isa h GLU 94 N 0.43 -0.32 -0.46 0.00 3.07 -1.17 -0.21 114.58 115.92 1isa h GLU 94 Ca 0.11 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 1isa h GLU 94 Cb 0.10 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1isa h GLU 94 CO -0.01 -0.10 0.19 0.00 -1.40 0.00 0.00 179.01 177.69 1isa h ALA 95 N 0.24 1.48 -0.15 3.43 0.00 -0.55 0.03 119.26 123.74 1isa h ALA 95 Ca -0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1isa h ALA 95 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1isa h ALA 95 CO 0.05 0.41 -0.27 0.82 0.00 0.00 0.00 179.25 180.26 1isa h ILE 96 N 0.65 1.36 -0.53 0.00 2.04 -0.94 -2.07 117.51 118.02 1isa h ILE 96 Ca 0.16 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 1isa h ILE 96 Cb 0.12 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1isa h ILE 96 CO -0.02 0.45 0.11 0.00 0.00 0.00 0.00 178.15 178.70 1isa h ALA 97 N 0.56 1.20 -0.36 1.87 0.00 -0.64 -0.11 119.26 121.78 1isa h ALA 97 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1isa h ALA 97 Cb 0.86 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1isa h ALA 97 CO 0.06 0.54 0.22 0.00 0.00 0.00 0.00 179.25 180.07 1isa h ALA 98 N 1.34 0.47 0.00 0.00 0.00 -0.94 0.11 119.26 120.24 1isa h ALA 98 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1isa h ALA 98 Cb 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1isa h ALA 98 CO 0.00 -0.04 -1.20 0.43 0.00 0.00 0.00 179.25 178.45 1isa n SER 99 N -4.79 0.74 0.00 0.00 7.64 -0.79 -4.47 113.62 111.95 1isa n SER 99 Ca -0.00 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1isa n SER 99 Cb 0.05 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1isa n SER 99 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1isa n PHE 100 N -2.66 0.00 0.00 1.43 3.72 -0.08 -4.96 117.46 114.91 1isa n PHE 100 Ca -0.02 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1isa n PHE 100 Cb 0.60 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1isa n PHE 100 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1isa n GLY 101 N -0.17 2.18 3.54 1.37 0.00 0.02 -4.43 105.19 107.71 1isa n GLY 101 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1isa n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1isa s SER 102 N 0.00 0.42 0.15 1.61 1.04 -1.26 -4.62 113.70 111.04 1isa s SER 102 Ca 0.00 -1.24 -0.11 0.00 0.48 0.00 0.00 55.95 55.07 1isa s SER 102 Cb 0.00 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 1isa s SER 102 CO 0.00 -1.25 1.54 0.15 0.98 0.00 0.00 173.24 174.66 1isa h PHE 103 N 2.18 1.06 -0.96 5.02 3.57 -1.90 -2.41 116.94 123.51 1isa h PHE 103 Ca -0.28 -0.25 0.07 0.00 3.53 0.00 0.00 57.97 61.04 1isa h PHE 103 Cb 1.25 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.67 1isa h PHE 103 CO 1.01 1.05 0.62 0.00 -2.23 0.00 0.00 178.31 178.76 1isa h ALA 104 N 0.86 1.47 -0.17 2.41 0.00 -1.97 0.08 119.26 121.95 1isa h ALA 104 Ca 0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1isa h ALA 104 Cb 0.74 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1isa h ALA 104 CO 0.06 0.38 -0.46 -0.44 0.00 0.00 0.00 179.25 178.79 1isa h ASP 105 N 1.09 0.69 -0.32 0.00 3.32 -1.82 -1.84 116.42 117.54 1isa h ASP 105 Ca 0.42 -0.58 0.02 0.00 0.02 0.00 0.00 57.03 56.91 1isa h ASP 105 Cb 0.22 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1isa h ASP 105 CO -0.17 1.15 0.15 0.15 -1.72 0.00 0.00 179.24 178.80 1isa h PHE 106 N 0.26 0.28 -0.62 4.55 3.57 -1.10 -1.70 116.94 122.18 1isa h PHE 106 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1isa h PHE 106 Cb 1.07 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 1isa h PHE 106 CO 0.10 0.15 0.40 -0.22 -2.23 0.00 0.00 178.31 176.50 1isa h LYS 107 N 0.31 0.79 -0.34 1.11 3.64 -0.94 -0.20 116.57 120.94 1isa h LYS 107 Ca 0.13 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1isa h LYS 107 Cb 0.06 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1isa h LYS 107 CO -0.10 0.52 0.17 0.00 -2.27 0.00 0.00 179.45 177.77 1isa h ALA 108 N 1.24 0.41 -0.35 5.00 0.00 -1.10 -1.34 119.26 123.12 1isa h ALA 108 Ca 0.23 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1isa h ALA 108 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1isa h ALA 108 CO -0.07 -0.20 -0.33 1.96 0.00 0.00 0.00 179.25 180.62 1isa h GLN 109 N 0.36 0.84 -0.08 0.00 4.20 -0.69 -1.52 115.11 118.21 1isa h GLN 109 Ca 0.14 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1isa h GLN 109 Cb 0.04 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1isa h GLN 109 CO -0.09 1.07 0.04 0.35 -0.67 0.00 0.00 178.83 179.53 1isa h PHE 110 N 0.63 0.12 -0.49 2.96 3.57 -0.95 -1.13 116.94 121.63 1isa h PHE 110 Ca 0.06 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1isa h PHE 110 Cb 0.91 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1isa h PHE 110 CO 0.07 0.21 0.14 1.15 -2.23 0.00 0.00 178.31 177.64 1isa h THR 111 N -0.01 0.78 -0.44 4.41 2.02 -1.16 -0.86 112.91 117.65 1isa h THR 111 Ca 0.03 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1isa h THR 111 Cb 0.14 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1isa h THR 111 CO -0.00 0.05 0.18 -0.78 0.37 0.00 0.00 175.52 175.34 1isa h ASP 112 N 0.29 0.60 -0.70 4.18 3.58 -1.12 -0.72 116.42 122.53 1isa h ASP 112 Ca 0.24 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 1isa h ASP 112 Cb 0.29 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1isa h ASP 112 CO -0.28 0.59 0.22 0.00 -2.88 0.00 0.00 179.24 176.88 1isa h ALA 113 N 1.03 1.04 -0.42 -0.78 0.00 -0.88 -1.93 119.26 117.32 1isa h ALA 113 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1isa h ALA 113 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1isa h ALA 113 CO -0.01 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.78 1isa h ALA 114 N 1.17 0.58 -0.66 0.00 0.00 -0.81 -2.55 119.26 116.98 1isa h ALA 114 Ca 0.23 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1isa h ALA 114 Cb 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1isa h ALA 114 CO -0.01 0.45 0.13 0.82 0.00 0.00 0.00 179.25 180.64 1isa h ILE 115 N 0.63 1.26 -0.00 0.00 2.04 -1.04 -3.01 117.51 117.38 1isa h ILE 115 Ca 0.11 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1isa h ILE 115 Cb 0.63 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1isa h ILE 115 CO 0.04 0.38 -0.03 0.29 0.00 0.00 0.00 178.15 178.83 1isa n LYS 116 N -4.22 0.98 -2.20 2.37 5.02 -0.74 -4.78 118.16 114.58 1isa n LYS 116 Ca 0.05 -0.24 -0.40 0.00 -2.02 0.00 0.00 58.31 55.69 1isa n LYS 116 Cb 0.28 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1isa n LYS 116 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1isa s ASN 117 N -2.19 5.71 0.06 4.39 3.84 -0.97 -4.93 114.94 120.85 1isa s ASN 117 Ca 0.39 0.34 -0.31 0.00 0.21 0.00 0.00 52.86 53.49 1isa s ASN 117 Cb 0.21 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.31 1isa s ASN 117 CO 0.40 -2.04 1.27 0.12 -2.79 0.00 0.00 177.10 174.07 1isa s PHE 118 N 7.52 3.30 0.00 0.43 5.36 -1.26 -4.76 117.98 128.57 1isa s PHE 118 Ca 0.60 1.15 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1isa s PHE 118 Cb -0.13 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 1isa s PHE 118 CO 0.23 -1.71 0.00 0.41 -1.46 0.00 0.00 175.22 172.69 1isa n GLY 119 N 3.35 0.07 3.85 13.12 0.00 -1.26 -4.83 105.19 119.48 1isa n GLY 119 Ca 0.10 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1isa n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1isa s SER 120 N -4.00 6.77 0.00 1.61 0.01 -1.26 -4.72 113.70 112.10 1isa s SER 120 Ca 0.00 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1isa s SER 120 Cb 0.00 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1isa s SER 120 CO 0.00 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.52 1isa n GLY 121 N 1.44 -1.00 2.91 3.44 0.00 -1.26 -0.06 105.19 110.65 1isa n GLY 121 Ca -0.11 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 1isa n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1isa s TRP 122 N -3.00 0.12 -0.05 1.61 0.52 -0.99 -0.27 118.94 116.88 1isa s TRP 122 Ca 0.00 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1isa s TRP 122 Cb 0.00 -0.09 -0.01 0.00 -1.15 0.00 0.00 33.47 32.23 1isa s TRP 122 CO 0.00 -0.06 -0.23 0.99 0.02 0.00 0.00 176.95 177.67 1isa s THR 123 N -0.51 1.87 0.08 2.01 2.01 -0.90 -0.67 115.64 119.53 1isa s THR 123 Ca -0.05 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.06 1isa s THR 123 Cb -0.04 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1isa s THR 123 CO -0.00 0.52 -0.21 0.26 -0.69 0.00 0.00 174.62 174.50 1isa s TRP 124 N -0.11 1.80 -0.23 4.92 0.52 0.57 -1.23 118.94 125.18 1isa s TRP 124 Ca -0.03 -0.40 -0.09 0.00 0.02 0.00 0.00 56.10 55.59 1isa s TRP 124 Cb -0.13 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 1isa s TRP 124 CO 0.03 0.16 0.13 -1.17 0.02 0.00 0.00 176.95 176.12 1isa s LEU 125 N -1.60 3.92 0.18 2.99 2.96 -0.33 -1.58 118.68 125.21 1isa s LEU 125 Ca 0.07 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.08 1isa s LEU 125 Cb -0.09 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1isa s LEU 125 CO 0.03 0.06 -0.14 0.68 -1.32 0.00 0.00 176.35 175.66 1isa s VAL 126 N 1.10 1.59 -0.23 1.68 -7.23 -0.29 -0.84 120.40 116.18 1isa s VAL 126 Ca 0.06 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 1isa s VAL 126 Cb -0.14 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.87 1isa s VAL 126 CO 0.04 -0.56 0.03 -0.75 -0.31 0.00 0.00 175.10 173.56 1isa s LYS 127 N -3.40 3.59 0.88 4.82 2.20 -0.41 -1.31 119.74 126.12 1isa s LYS 127 Ca 0.18 -0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 55.15 1isa s LYS 127 Cb -0.02 -3.21 0.12 0.00 -1.51 0.00 0.00 37.83 33.22 1isa s LYS 127 CO 0.05 -0.14 1.20 -0.80 -0.36 0.00 0.00 175.35 175.29 1isa s ASN 128 N 1.44 3.87 0.27 1.43 0.01 -0.51 -0.92 114.94 120.54 1isa s ASN 128 Ca 0.05 0.72 0.00 0.00 -0.71 0.00 0.00 52.86 52.92 1isa s ASN 128 Cb -0.15 -1.13 0.62 0.00 0.41 0.00 0.00 41.25 41.01 1isa s ASN 128 CO 0.02 -2.30 1.69 0.77 -1.51 0.00 0.00 177.10 175.77 1isa h SER 129 N -1.33 0.19 0.11 -1.22 4.64 -1.89 -0.81 113.55 113.23 1isa h SER 129 Ca -0.47 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1isa h SER 129 Cb 1.31 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1isa h SER 129 CO 0.58 -0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.63 1isa n ASP 130 N -5.09 0.00 0.00 4.97 5.75 -1.26 -4.93 116.55 115.99 1isa n ASP 130 Ca 0.19 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 1isa n ASP 130 Cb 0.58 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1isa n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1isa n GLY 131 N 0.50 1.80 3.82 6.12 0.00 -0.31 -5.05 105.19 112.07 1isa n GLY 131 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1isa n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1isa s LYS 132 N -0.59 4.25 0.15 1.61 -0.14 -1.26 -4.77 119.74 119.00 1isa s LYS 132 Ca 0.00 1.06 -0.07 0.00 -1.36 0.00 0.00 55.97 55.60 1isa s LYS 132 Cb 0.00 -2.38 -0.06 0.00 -1.68 0.00 0.00 37.83 33.71 1isa s LYS 132 CO 0.00 0.08 0.43 -0.51 -0.76 0.00 0.00 175.35 174.59 1isa s LEU 133 N -2.87 4.26 0.09 3.17 1.43 -1.26 -1.42 118.68 122.07 1isa s LEU 133 Ca 0.57 0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 54.31 1isa s LEU 133 Cb -0.11 -3.35 -0.00 0.00 0.03 0.00 0.00 46.19 42.76 1isa s LEU 133 CO 0.16 0.04 0.20 0.00 0.23 0.00 0.00 176.35 176.98 1isa s ALA 134 N -1.65 -0.23 -0.21 4.21 0.00 -0.42 -4.92 121.76 118.54 1isa s ALA 134 Ca 0.41 -0.62 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 1isa s ALA 134 Cb -0.12 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1isa s ALA 134 CO 0.22 -0.52 0.05 0.42 0.00 0.00 0.00 175.76 175.94 1isa s ILE 135 N -3.87 4.45 -0.01 0.00 1.01 -1.26 -1.14 121.20 120.38 1isa s ILE 135 Ca 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.62 1isa s ILE 135 Cb 0.05 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1isa s ILE 135 CO -0.10 0.40 -0.17 -0.69 0.00 0.00 0.00 174.94 174.39 1isa s VAL 136 N 0.96 1.31 -0.01 2.92 1.01 -0.62 -4.98 120.40 120.98 1isa s VAL 136 Ca 0.03 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1isa s VAL 136 Cb -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1isa s VAL 136 CO 0.03 0.36 -0.08 -0.44 0.00 0.00 0.00 175.10 174.97 1isa s SER 137 N -0.40 4.54 0.27 3.32 0.01 -1.26 -0.31 113.70 119.86 1isa s SER 137 Ca 0.06 -0.14 0.10 0.00 1.31 0.00 0.00 55.95 57.29 1isa s SER 137 Cb -0.06 -1.05 -0.05 0.00 0.21 0.00 0.00 66.02 65.06 1isa s SER 137 CO -0.01 0.30 -0.16 0.42 0.41 0.00 0.00 173.24 174.21 1isa s THR 138 N -0.93 2.23 -0.03 1.44 -4.23 0.15 -5.00 115.64 109.28 1isa s THR 138 Ca 0.15 -2.32 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1isa s THR 138 Cb -0.11 -2.31 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1isa s THR 138 CO 0.05 -0.41 0.06 -0.55 -0.54 0.00 0.00 174.62 173.24 1isa s SER 139 N -3.48 5.55 1.18 3.99 0.15 -1.26 -2.33 113.70 117.49 1isa s SER 139 Ca 0.29 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1isa s SER 139 Cb -0.02 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1isa s SER 139 CO 0.13 0.30 0.00 0.59 1.20 0.00 0.00 173.24 175.46 1isa n ASN 140 N 1.44 0.00 -1.24 5.45 5.03 0.91 -1.39 115.26 125.46 1isa n ASN 140 Ca -0.15 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.42 1isa n ASN 140 Cb 0.53 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.55 1isa n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1isa n ALA 141 N 9.00 2.41 -1.59 5.41 0.00 -1.26 -4.43 120.51 130.05 1isa n ALA 141 Ca 0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 53.44 51.90 1isa n ALA 141 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1isa n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1isa n GLY 142 N 1.58 -0.31 3.07 0.00 0.00 -0.49 -4.62 105.19 104.42 1isa n GLY 142 Ca 0.21 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 1isa n GLY 142 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1isa s THR 143 N -1.21 0.02 0.66 2.61 -1.32 -1.26 -4.74 115.64 110.40 1isa s THR 143 Ca 0.61 -0.15 0.32 0.00 -1.21 0.00 0.00 61.69 61.26 1isa s THR 143 Cb -0.61 -0.30 0.33 0.00 -1.51 0.00 0.00 72.50 70.41 1isa s THR 143 CO 0.58 -0.08 2.01 -0.65 -2.21 0.00 0.00 174.62 174.27 1isa h PRO 144 N 5.51 0.00 -0.04 7.08 0.11 -1.95 -2.79 132.00 139.92 1isa h PRO 144 Ca -0.26 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1isa h PRO 144 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1isa h PRO 144 CO 0.40 0.00 0.12 -0.07 -0.21 0.00 0.00 178.00 178.24 1isa h LEU 145 N 0.00 0.00 -0.58 2.35 3.38 -1.97 0.14 115.31 118.64 1isa h LEU 145 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1isa h LEU 145 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1isa h LEU 145 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1isa n THR 146 N -3.27 0.21 -4.28 0.22 -2.24 -1.05 -4.86 114.28 99.01 1isa n THR 146 Ca -0.02 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.41 1isa n THR 146 Cb 0.20 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 1isa n THR 146 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1isa n THR 147 N -0.04 0.00 1.58 4.28 -2.24 0.50 -5.03 114.28 113.32 1isa n THR 147 Ca 0.05 -1.25 0.13 0.00 -2.27 0.00 0.00 64.05 60.71 1isa n THR 147 Cb 0.13 0.42 0.57 0.00 -2.10 0.00 0.00 70.33 69.36 1isa n THR 147 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1isa n ASP 148 N -1.68 1.11 -4.82 3.42 8.00 -1.26 -4.91 116.55 116.39 1isa n ASP 148 Ca -0.04 -1.45 -0.33 0.00 0.71 0.00 0.00 54.79 53.68 1isa n ASP 148 Cb 0.32 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 1isa n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isa s ALA 149 N -1.95 3.10 -0.24 2.24 0.00 -1.26 -4.16 121.76 119.49 1isa s ALA 149 Ca 0.37 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.57 1isa s ALA 149 Cb 0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1isa s ALA 149 CO 0.31 0.17 0.14 0.99 0.00 0.00 0.00 175.76 177.37 1isa s THR 150 N -2.13 5.06 0.19 0.00 2.01 -0.10 -4.60 115.64 116.08 1isa s THR 150 Ca 0.60 0.08 -0.31 0.00 0.31 0.00 0.00 61.69 62.37 1isa s THR 150 Cb -0.09 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.95 1isa s THR 150 CO 0.14 0.34 1.50 -2.84 -0.69 0.00 0.00 174.62 173.07 1isa s PRO 151 N 1.25 4.24 -0.05 4.92 0.02 -1.26 -1.28 135.00 142.83 1isa s PRO 151 Ca 0.06 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.41 1isa s PRO 151 Cb -0.14 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1isa s PRO 151 CO 0.05 -0.52 -0.04 1.28 -0.33 0.00 0.00 177.00 177.44 1isa n LEU 152 N 3.30 2.79 -3.71 -5.54 4.32 -0.02 -4.89 117.00 113.26 1isa n LEU 152 Ca 0.11 -0.03 -0.14 0.00 -0.02 0.00 0.00 56.01 55.93 1isa n LEU 152 Cb 0.39 -0.17 -0.08 0.00 -1.62 0.00 0.00 43.42 41.94 1isa n LEU 152 CO 0.61 0.56 0.12 -0.22 -1.22 0.00 0.00 177.39 177.24 1isa s LEU 153 N -5.25 0.49 0.03 2.23 2.96 -1.12 -4.42 118.68 113.61 1isa s LEU 153 Ca -0.07 0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 54.00 1isa s LEU 153 Cb 0.02 1.56 0.01 0.00 0.50 0.00 0.00 46.19 48.28 1isa s LEU 153 CO 0.13 -0.47 0.22 0.28 -1.32 0.00 0.00 176.35 175.19 1isa s THR 154 N -1.21 0.10 -0.06 3.68 -1.32 -1.26 -1.18 115.64 114.38 1isa s THR 154 Ca -0.12 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.59 1isa s THR 154 Cb -0.04 -0.84 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 1isa s THR 154 CO 0.05 -0.44 -0.11 0.54 -2.21 0.00 0.00 174.62 172.46 1isa s VAL 155 N -2.33 1.05 -0.22 5.08 0.11 -0.37 -4.89 120.40 118.83 1isa s VAL 155 Ca -0.07 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.26 1isa s VAL 155 Cb -0.02 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1isa s VAL 155 CO -0.02 0.33 1.28 -0.62 -3.33 0.00 0.00 175.10 172.75 1isa s ASP 156 N 0.69 6.82 -0.17 3.54 -1.08 -1.26 -2.13 116.67 123.08 1isa s ASP 156 Ca -0.14 1.49 0.16 0.00 -0.52 0.00 0.00 52.55 53.54 1isa s ASP 156 Cb -0.16 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.27 1isa s ASP 156 CO 0.03 -0.90 1.40 1.33 0.52 0.00 0.00 175.17 177.55 1isa n VAL 157 N 5.74 2.20 -1.82 1.11 0.24 0.63 -4.81 118.33 121.61 1isa n VAL 157 Ca 0.14 -1.85 -0.41 0.00 -2.04 0.00 0.00 64.34 60.19 1isa n VAL 157 Cb 0.46 -0.21 -0.01 0.00 -1.47 0.00 0.00 33.84 32.61 1isa n VAL 157 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1isa s TRP 158 N -2.72 2.66 0.59 6.34 0.52 -1.15 -4.30 118.94 120.87 1isa s TRP 158 Ca 0.41 1.10 0.29 0.00 0.02 0.00 0.00 56.10 57.91 1isa s TRP 158 Cb 0.33 -4.01 1.76 0.00 -1.15 0.00 0.00 33.47 30.39 1isa s TRP 158 CO 0.09 -3.04 2.22 0.93 0.02 0.00 0.00 176.95 177.17 1isa h GLU 159 N 3.44 0.00 0.00 4.98 5.08 -1.93 -0.28 114.58 125.86 1isa h GLU 159 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1isa h GLU 159 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1isa h GLU 159 CO 0.68 0.00 0.00 1.12 -1.00 0.00 0.00 179.01 179.81 1isa h HIS 160 N 0.00 0.00 0.00 4.33 2.07 -1.98 -0.04 115.15 119.53 1isa h HIS 160 Ca 0.02 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.48 1isa h HIS 160 Cb 0.09 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.06 1isa h HIS 160 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.57 1isa h ALA 161 N 2.04 1.05 0.00 6.11 0.00 -1.35 -3.38 119.26 123.73 1isa h ALA 161 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1isa h ALA 161 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1isa h ALA 161 CO 0.00 0.36 0.00 2.48 0.00 0.00 0.00 179.25 182.09 1isa n TYR 162 N -3.50 0.00 0.05 0.00 0.18 -1.01 -4.90 117.16 107.98 1isa n TYR 162 Ca -0.00 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.79 1isa n TYR 162 Cb 0.44 0.00 0.33 0.00 -0.38 0.00 0.00 39.34 39.74 1isa n TYR 162 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1isa h TYR 163 N 0.00 0.41 -0.57 -3.48 3.20 -1.19 0.11 116.97 115.45 1isa h TYR 163 Ca 0.00 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.73 1isa h TYR 163 Cb 0.04 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1isa h TYR 163 CO 0.00 0.47 -0.01 0.82 -1.64 0.00 0.00 178.16 177.80 1isa h ILE 164 N 0.38 1.26 0.03 1.81 2.04 -1.85 -1.56 117.51 119.63 1isa h ILE 164 Ca 0.08 -1.13 -0.32 0.00 1.00 0.00 0.00 64.86 64.48 1isa h ILE 164 Cb 0.36 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1isa h ILE 164 CO 0.02 0.41 -1.90 0.47 0.00 0.00 0.00 178.15 177.15 1isa n ASP 165 N -4.18 1.17 0.00 1.72 8.00 -0.85 -4.60 116.55 117.81 1isa n ASP 165 Ca 0.03 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1isa n ASP 165 Cb 0.34 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1isa n ASP 165 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1isa n TYR 166 N -3.14 0.00 0.00 1.24 4.01 0.33 -5.09 117.16 114.52 1isa n TYR 166 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1isa n TYR 166 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1isa n TYR 166 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1isa n ARG 167 N -0.32 0.00 0.00 -0.72 5.12 -0.59 -1.57 116.66 118.59 1isa n ARG 167 Ca 0.00 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.02 1isa n ARG 167 Cb 0.03 0.00 0.47 0.00 -1.16 0.00 0.00 32.46 31.81 1isa n ARG 167 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1isa n ASN 168 N 4.33 0.00 -3.87 0.55 0.23 -1.26 -4.38 115.26 110.86 1isa n ASN 168 Ca 0.00 0.30 -0.42 0.00 -0.53 0.00 0.00 54.58 53.93 1isa n ASN 168 Cb 0.00 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.29 1isa n ASN 168 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1isa n ALA 169 N -1.42 5.34 -0.18 -2.53 0.00 -0.61 -4.76 120.51 116.35 1isa n ALA 169 Ca 0.07 -4.29 0.19 0.00 0.00 0.00 0.00 53.44 49.42 1isa n ALA 169 Cb 0.21 -3.02 0.55 0.00 0.00 0.00 0.00 19.45 17.20 1isa n ALA 169 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1isa h ARG 170 N 5.80 0.31 -1.00 0.00 2.43 -1.84 -0.44 114.38 119.63 1isa h ARG 170 Ca 0.40 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.61 1isa h ARG 170 Cb 0.64 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 1isa h ARG 170 CO 1.63 0.20 0.65 -1.35 -1.51 0.00 0.00 179.97 179.60 1isa h PRO 171 N 0.32 1.17 -0.43 0.20 0.11 -1.98 -1.36 132.00 130.03 1isa h PRO 171 Ca 0.41 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 1isa h PRO 171 Cb 1.11 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1isa h PRO 171 CO -0.12 0.77 0.07 0.78 -0.21 0.00 0.00 178.00 179.30 1isa h GLY 172 N 1.20 0.76 0.87 -0.55 0.00 -1.49 -1.47 103.07 102.40 1isa h GLY 172 Ca 0.42 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.27 1isa h GLY 172 CO -0.16 0.47 0.14 -1.82 0.00 0.00 0.00 176.54 175.17 1isa h TYR 173 N 0.56 0.25 -0.49 5.60 3.20 -0.99 -2.36 116.97 122.75 1isa h TYR 173 Ca 0.13 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1isa h TYR 173 Cb 0.37 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1isa h TYR 173 CO 0.03 0.14 0.07 -0.07 -1.64 0.00 0.00 178.16 176.69 1isa h LEU 174 N 0.29 0.72 -0.68 2.82 -0.00 -1.06 -0.02 115.31 117.39 1isa h LEU 174 Ca 0.12 -0.14 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1isa h LEU 174 Cb 0.04 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.47 1isa h LEU 174 CO -0.08 0.75 0.44 -0.08 -0.00 0.00 0.00 178.44 179.47 1isa h GLU 175 N 0.73 0.87 0.00 1.13 4.81 -1.07 -2.32 114.58 118.73 1isa h GLU 175 Ca 0.16 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1isa h GLU 175 Cb 0.34 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1isa h GLU 175 CO 0.01 0.57 -0.40 0.45 -0.73 0.00 0.00 179.01 178.91 1isa h HIS 176 N 0.89 0.00 -1.00 0.92 3.86 -1.02 -3.11 115.15 115.69 1isa h HIS 176 Ca 0.26 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.54 1isa h HIS 176 Cb -0.07 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.33 1isa h HIS 176 CO -0.03 0.40 0.64 0.35 0.86 0.00 0.00 177.93 180.15 1isa h PHE 177 N 0.00 1.19 0.00 2.45 3.57 -0.43 -2.01 116.94 121.71 1isa h PHE 177 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1isa h PHE 177 Cb 1.10 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1isa h PHE 177 CO 0.00 0.61 -0.08 -1.49 -2.23 0.00 0.00 178.31 175.11 1isa h TRP 178 N 1.16 0.00 0.00 0.41 4.06 -1.45 -1.63 115.95 118.49 1isa h TRP 178 Ca 0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.39 1isa h TRP 178 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1isa h TRP 178 CO -0.00 0.08 0.00 0.00 -3.56 0.00 0.00 178.44 174.96 1isa n ALA 179 N -2.34 2.38 0.24 1.49 0.00 -0.75 -3.53 120.51 117.99 1isa n ALA 179 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1isa n ALA 179 Cb 0.18 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 1isa n ALA 179 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1isa n LEU 180 N -1.26 0.58 -4.71 0.00 4.77 -0.63 -3.59 117.00 112.16 1isa n LEU 180 Ca 0.14 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 55.06 1isa n LEU 180 Cb 0.21 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1isa n LEU 180 CO 0.20 0.13 1.40 -0.69 -1.33 0.00 0.00 177.39 177.10 1isa s VAL 181 N -1.22 2.19 -0.99 4.08 1.01 -1.16 -0.86 120.40 123.46 1isa s VAL 181 Ca 0.03 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1isa s VAL 181 Cb 0.04 -3.03 0.14 0.00 0.00 0.00 0.00 36.38 33.54 1isa s VAL 181 CO 0.17 0.00 1.19 0.21 0.00 0.00 0.00 175.10 176.68 1isa s ASN 182 N 1.62 6.72 0.61 3.32 3.04 0.15 -1.10 114.94 129.30 1isa s ASN 182 Ca 0.76 -2.25 0.39 0.00 0.04 0.00 0.00 52.86 51.80 1isa s ASN 182 Cb -0.48 -2.40 1.96 0.00 -1.54 0.00 0.00 41.25 38.78 1isa s ASN 182 CO 0.33 -0.99 2.21 -0.50 -3.04 0.00 0.00 177.10 175.11 1isa h TRP 183 N 8.47 0.00 -0.80 0.43 -0.00 -1.90 -1.74 115.95 120.41 1isa h TRP 183 Ca 0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 59.06 1isa h TRP 183 Cb 0.99 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.12 1isa h TRP 183 CO 1.15 0.02 0.40 0.93 -0.00 0.00 0.00 178.44 180.94 1isa h GLU 184 N 0.00 1.13 -0.42 0.49 4.39 -1.97 -0.90 114.58 117.31 1isa h GLU 184 Ca -0.00 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 1isa h GLU 184 Cb 0.21 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1isa h GLU 184 CO 0.00 0.87 0.01 0.35 -1.16 0.00 0.00 179.01 179.07 1isa h PHE 185 N 1.12 0.80 -0.61 4.33 3.57 -1.61 -1.74 116.94 122.78 1isa h PHE 185 Ca 0.28 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1isa h PHE 185 Cb 0.09 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1isa h PHE 185 CO 0.01 0.80 0.36 0.28 -2.23 0.00 0.00 178.31 177.52 1isa h VAL 186 N 0.57 1.19 -0.95 1.41 2.07 -1.30 -1.20 116.25 118.03 1isa h VAL 186 Ca 0.12 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1isa h VAL 186 Cb 0.47 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1isa h VAL 186 CO 0.02 0.20 0.60 0.00 0.02 0.00 0.00 177.57 178.40 1isa h ALA 187 N 1.18 1.25 -0.26 1.67 0.00 -0.89 -0.58 119.26 121.63 1isa h ALA 187 Ca 0.22 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1isa h ALA 187 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1isa h ALA 187 CO -0.04 0.66 -0.31 0.87 0.00 0.00 0.00 179.25 180.43 1isa h LYS 188 N 1.31 0.53 -0.28 0.00 1.57 -0.53 -2.26 116.57 116.90 1isa h LYS 188 Ca 0.34 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.77 1isa h LYS 188 Cb -0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1isa h LYS 188 CO -0.07 0.78 -0.37 -0.91 -0.57 0.00 0.00 179.45 178.31 1isa h ASN 189 N 0.45 0.67 0.57 0.86 -0.26 -0.41 -2.72 115.58 114.73 1isa h ASN 189 Ca 0.06 -0.29 -0.06 0.00 -0.56 0.00 0.00 56.30 55.45 1isa h ASN 189 Cb 0.76 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1isa h ASN 189 CO 0.06 0.97 -0.28 0.25 -1.06 0.00 0.00 177.43 177.37 1isa h LEU 190 N 0.53 0.00 0.00 1.61 6.46 -0.84 -3.24 115.31 119.83 1isa h LEU 190 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1isa h LEU 190 Cb 0.88 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1isa h LEU 190 CO 0.08 0.28 -0.97 0.00 -0.62 0.00 0.00 178.44 177.21 1isa n ALA 191 N -2.34 2.91 0.00 1.25 0.00 -0.88 -5.10 120.51 116.36 1isa n ALA 191 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1isa n ALA 191 Cb 0.39 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1isa n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50