#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1isj n ARG 3 N 0.00 2.71 -4.40 -0.99 3.00 -1.26 -4.60 116.66 111.12 1isj n ARG 3 Ca 0.00 -2.11 -0.26 0.00 -0.01 0.00 0.00 57.85 55.47 1isj n ARG 3 Cb 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 32.46 30.77 1isj n ARG 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1isj s ALA 4 N -1.52 3.24 0.38 7.54 0.00 -0.53 -4.90 121.76 125.97 1isj s ALA 4 Ca 0.38 -2.11 -0.26 0.00 0.00 0.00 0.00 51.96 49.97 1isj s ALA 4 Cb 0.22 -0.17 -0.11 0.00 0.00 0.00 0.00 23.12 23.06 1isj s ALA 4 CO 0.22 -0.04 1.12 -1.91 0.00 0.00 0.00 175.76 175.15 1isj n GLU 5 N -1.00 1.62 -1.68 0.00 2.13 -1.26 -1.80 120.64 118.65 1isj n GLU 5 Ca -0.04 0.57 -0.29 0.00 0.66 0.00 0.00 57.16 58.07 1isj n GLU 5 Cb 0.64 -2.13 0.12 0.00 0.27 0.00 0.00 31.44 30.35 1isj n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1isj s GLY 6 N -0.58 1.59 0.21 8.31 0.00 -1.25 -2.90 107.32 112.70 1isj s GLY 6 Ca 0.60 -0.61 -0.32 0.00 0.00 0.00 0.00 44.72 44.39 1isj s GLY 6 CO 0.59 -0.06 1.34 2.41 0.00 0.00 0.00 173.10 177.38 1isj n THR 7 N -3.62 0.85 -1.89 0.90 -1.04 -0.42 -4.63 114.28 104.42 1isj n THR 7 Ca 0.08 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 1isj n THR 7 Cb 0.60 -1.26 -0.02 0.00 -1.82 0.00 0.00 70.33 67.82 1isj n THR 7 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1isj s SER 8 N 0.24 6.52 0.40 8.00 0.01 -0.12 -4.71 113.70 124.04 1isj s SER 8 Ca 0.71 2.76 -0.26 0.00 1.31 0.00 0.00 55.95 60.47 1isj s SER 8 Cb -0.72 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 62.80 1isj s SER 8 CO 0.50 -0.83 1.31 0.00 0.41 0.00 0.00 173.24 174.63 1isj s ALA 9 N 0.42 3.29 -1.46 1.44 0.00 -1.26 -2.73 121.76 121.46 1isj s ALA 9 Ca 0.65 1.26 -0.09 0.00 0.00 0.00 0.00 51.96 53.77 1isj s ALA 9 Cb -0.45 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.21 1isj s ALA 9 CO 0.40 -0.84 0.87 0.72 0.00 0.00 0.00 175.76 176.92 1isj n HIS 10 N 0.17 -2.32 -0.17 0.00 8.25 -1.26 -4.88 115.22 115.02 1isj n HIS 10 Ca 0.03 0.77 -0.03 0.00 -0.26 0.00 0.00 57.72 58.23 1isj n HIS 10 Cb 0.43 -4.31 0.03 0.00 1.12 0.00 0.00 29.99 27.27 1isj n HIS 10 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1isj h LEU 11 N -1.92 -0.70 -0.30 2.41 5.85 -1.91 -2.17 115.31 116.57 1isj h LEU 11 Ca -0.54 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1isj h LEU 11 Cb 1.36 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 1isj h LEU 11 CO 0.59 -0.23 0.11 -0.09 -0.34 0.00 0.00 178.44 178.48 1isj h ARG 12 N -0.08 0.23 -0.61 1.25 2.43 -1.90 -0.66 114.38 115.05 1isj h ARG 12 Ca 0.24 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1isj h ARG 12 Cb 0.46 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1isj h ARG 12 CO -0.57 0.15 0.24 -0.44 -1.51 0.00 0.00 179.97 177.84 1isj h ASP 13 N 0.24 0.86 -0.02 -3.80 3.32 -1.86 -0.11 116.42 115.05 1isj h ASP 13 Ca 0.13 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1isj h ASP 13 Cb 0.10 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1isj h ASP 13 CO -0.13 0.80 0.01 0.40 -1.72 0.00 0.00 179.24 178.60 1isj h ILE 14 N 0.86 1.09 0.08 0.35 2.04 -1.22 0.95 117.51 121.67 1isj h ILE 14 Ca 0.20 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1isj h ILE 14 Cb 0.22 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1isj h ILE 14 CO -0.02 0.07 -0.32 0.15 0.00 0.00 0.00 178.15 178.04 1isj h PHE 15 N -0.08 -0.87 -0.65 1.37 3.57 -0.94 0.57 116.94 119.91 1isj h PHE 15 Ca 0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1isj h PHE 15 Cb 0.11 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1isj h PHE 15 CO -0.04 -0.42 0.23 -0.07 -2.23 0.00 0.00 178.31 175.78 1isj h LEU 16 N -0.52 0.90 0.13 0.59 3.38 -0.94 -1.18 115.31 117.66 1isj h LEU 16 Ca 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1isj h LEU 16 Cb 0.57 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1isj h LEU 16 CO -0.21 0.82 -0.06 1.23 0.09 0.00 0.00 178.44 180.31 1isj h GLY 17 N 1.04 -0.18 1.12 0.83 0.00 -0.35 -1.30 103.07 104.23 1isj h GLY 17 Ca 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1isj h GLY 17 CO -0.01 -0.06 0.49 3.21 0.00 0.00 0.00 176.54 180.16 1isj h ARG 18 N -0.33 1.16 -0.51 4.80 3.08 -0.76 -1.34 114.38 120.48 1isj h ARG 18 Ca -0.02 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1isj h ARG 18 Cb 0.27 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1isj h ARG 18 CO 0.03 0.83 0.21 0.00 -1.07 0.00 0.00 179.97 179.97 1isj h ALA 20 N 1.05 0.86 -0.28 0.00 0.00 -0.64 -2.22 119.26 118.04 1isj h ALA 20 Ca 0.17 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1isj h ALA 20 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1isj h ALA 20 CO -0.02 0.53 -0.45 0.93 0.00 0.00 0.00 179.25 180.25 1isj h GLU 21 N 0.95 0.71 -0.45 0.00 5.08 -1.11 -3.10 114.58 116.64 1isj h GLU 21 Ca 0.21 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1isj h GLU 21 Cb 0.30 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1isj h GLU 21 CO -0.01 1.01 0.00 -0.92 -1.00 0.00 0.00 179.01 178.10 1isj h TYR 22 N 0.57 0.78 -0.73 4.33 3.20 -0.92 -2.90 116.97 121.31 1isj h TYR 22 Ca 0.04 -0.10 0.14 0.00 3.14 0.00 0.00 58.73 61.95 1isj h TYR 22 Cb 1.00 -0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.96 1isj h TYR 22 CO 0.05 0.73 0.26 0.00 -1.64 0.00 0.00 178.16 177.56 1isj h ARG 23 N 0.69 0.37 -0.07 1.82 3.08 -1.32 0.39 114.38 119.34 1isj h ARG 23 Ca 0.14 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1isj h ARG 23 Cb 0.43 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1isj h ARG 23 CO 0.02 0.25 0.21 0.00 -1.07 0.00 0.00 179.97 179.37 1isj h ALA 24 N 1.55 1.41 0.00 0.04 0.00 -1.59 0.64 119.26 121.31 1isj h ALA 24 Ca 0.40 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1isj h ALA 24 Cb 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1isj h ALA 24 CO -0.43 -0.25 -0.78 -0.07 0.00 0.00 0.00 179.25 177.72 1isj h LEU 25 N 0.00 0.00-10.23 0.00 3.38 -0.32 -3.46 115.31 104.67 1isj h LEU 25 Ca 0.03 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.50 1isj h LEU 25 Cb 0.45 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.30 1isj h LEU 25 CO -0.00 0.52 0.37 -0.76 0.09 0.00 0.00 178.44 178.65 1isj s LEU 26 N -6.24 3.34 0.63 1.67 1.43 0.21 -5.02 118.68 114.71 1isj s LEU 26 Ca 0.02 1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.85 1isj s LEU 26 Cb 0.08 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.75 1isj s LEU 26 CO 0.77 -1.50 1.05 -0.94 0.23 0.00 0.00 176.35 175.95 1isj s SER 27 N -2.93 5.71 0.38 2.29 1.04 -1.26 -4.68 113.70 114.26 1isj s SER 27 Ca 0.64 1.68 0.13 0.00 0.48 0.00 0.00 55.95 58.88 1isj s SER 27 Cb -0.18 -2.51 0.96 0.00 0.10 0.00 0.00 66.02 64.39 1isj s SER 27 CO 0.44 -1.21 1.85 -0.65 0.98 0.00 0.00 173.24 174.64 1isj h PRO 28 N -0.08 0.53 0.00 4.02 0.11 -1.95 0.59 132.00 135.21 1isj h PRO 28 Ca -0.45 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1isj h PRO 28 Cb 1.21 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1isj h PRO 28 CO 0.58 0.35 -0.05 1.49 -0.21 0.00 0.00 178.00 180.15 1isj h GLU 29 N 0.54 0.00 -0.00 1.05 4.22 -2.02 -2.78 114.58 115.59 1isj h GLU 29 Ca 0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.91 1isj h GLU 29 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1isj h GLU 29 CO -0.21 0.05 -0.00 1.04 -2.18 0.00 0.00 179.01 177.71 1isj n GLN 30 N -3.86 -0.84 0.01 1.92 6.02 -0.02 -4.70 117.38 115.92 1isj n GLN 30 Ca -0.03 -0.50 0.03 0.00 -0.01 0.00 0.00 57.00 56.49 1isj n GLN 30 Cb 0.14 -1.00 0.15 0.00 1.02 0.00 0.00 30.24 30.56 1isj n GLN 30 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1isj n ARG 31 N -0.01 0.02 -2.44 -1.09 3.00 0.19 -4.36 116.66 111.96 1isj n ARG 31 Ca 0.00 0.42 -0.43 0.00 -0.00 0.00 0.00 57.85 57.85 1isj n ARG 31 Cb 0.01 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 30.92 1isj n ARG 31 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1isj n ASN 32 N -1.57 4.76 -4.17 6.15 5.15 -1.26 -4.91 115.26 119.41 1isj n ASN 32 Ca 0.01 -2.91 -0.29 0.00 -0.60 0.00 0.00 54.58 50.79 1isj n ASN 32 Cb 0.07 -1.73 -0.17 0.00 -0.53 0.00 0.00 39.78 37.42 1isj n ASN 32 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1isj s LYS 33 N 3.92 2.35 -0.59 1.20 -0.14 -1.26 -5.09 119.74 120.13 1isj s LYS 33 Ca 0.52 -0.72 -0.17 0.00 -1.36 0.00 0.00 55.97 54.24 1isj s LYS 33 Cb 0.06 -1.90 0.13 0.00 -1.68 0.00 0.00 37.83 34.43 1isj s LYS 33 CO 0.05 0.20 0.61 0.34 -0.76 0.00 0.00 175.35 175.79 1isj s ASP 34 N 0.23 6.25 0.32 2.83 -1.08 -1.26 -4.93 116.67 119.02 1isj s ASP 34 Ca -0.11 -1.75 0.03 0.00 -0.52 0.00 0.00 52.55 50.20 1isj s ASP 34 Cb -0.15 -2.25 0.61 0.00 -1.46 0.00 0.00 42.92 39.68 1isj s ASP 34 CO 0.05 -0.93 1.92 0.00 0.52 0.00 0.00 175.17 176.73 1isj h THR 36 N 0.92 1.25 -0.14 0.00 2.02 -1.97 -0.86 112.91 114.13 1isj h THR 36 Ca 0.38 -1.06 -0.17 0.00 0.77 0.00 0.00 66.41 66.33 1isj h THR 36 Cb 0.27 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1isj h THR 36 CO -0.14 0.38 -0.63 0.00 0.37 0.00 0.00 175.52 175.49 1isj h ALA 37 N 1.19 0.66 -0.65 6.16 0.00 -1.77 -1.86 119.26 122.98 1isj h ALA 37 Ca 0.15 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1isj h ALA 37 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1isj h ALA 37 CO 0.02 0.72 0.16 0.82 0.00 0.00 0.00 179.25 180.97 1isj h ILE 38 N 0.36 1.25 -0.30 0.00 2.04 -0.74 -1.49 117.51 118.64 1isj h ILE 38 Ca -0.01 -0.92 -0.15 0.00 1.00 0.00 0.00 64.86 64.78 1isj h ILE 38 Cb 1.18 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1isj h ILE 38 CO 0.11 0.35 -0.42 -0.25 0.00 0.00 0.00 178.15 177.94 1isj h TRP 39 N 0.98 0.91 -0.66 1.37 2.91 -1.04 -2.15 115.95 118.26 1isj h TRP 39 Ca 0.21 -0.28 -0.05 0.00 1.13 0.00 0.00 58.89 59.90 1isj h TRP 39 Cb 0.35 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.78 1isj h TRP 39 CO 0.02 1.05 0.22 0.93 -1.03 0.00 0.00 178.44 179.63 1isj h GLU 40 N 0.61 1.02 -0.46 2.65 4.39 -0.95 0.49 114.58 122.32 1isj h GLU 40 Ca 0.04 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 1isj h GLU 40 Cb 0.98 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1isj h GLU 40 CO 0.09 0.88 -0.07 0.00 -1.16 0.00 0.00 179.01 178.75 1isj h ALA 41 N 1.09 1.00 -0.24 3.43 0.00 -1.22 -3.10 119.26 120.22 1isj h ALA 41 Ca 0.22 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1isj h ALA 41 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1isj h ALA 41 CO -0.01 0.60 -0.06 0.35 0.00 0.00 0.00 179.25 180.14 1isj h PHE 42 N 0.74 0.53 0.00 0.00 3.57 -0.91 -3.16 116.94 117.71 1isj h PHE 42 Ca 0.13 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1isj h PHE 42 Cb 0.55 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1isj h PHE 42 CO 0.03 0.69 0.00 0.36 -2.23 0.00 0.00 178.31 177.16 1isj n LYS 43 N -4.56 0.32 0.16 1.11 2.85 0.12 -2.72 118.16 115.43 1isj n LYS 43 Ca -0.04 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.25 1isj n LYS 43 Cb 0.29 -1.41 0.39 0.00 -0.65 0.00 0.00 35.03 33.65 1isj n LYS 43 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 1isj h VAL 44 N 0.00 1.21 0.00 0.58 3.04 -1.61 -1.36 116.25 118.11 1isj h VAL 44 Ca 0.00 -0.96 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1isj h VAL 44 Cb 0.00 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1isj h VAL 44 CO 0.00 0.28 0.00 0.00 -1.01 0.00 0.00 177.57 176.84 1isj h ALA 45 N 1.66 1.00 -0.13 3.17 0.00 -1.78 -2.41 119.26 120.78 1isj h ALA 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1isj h ALA 45 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1isj h ALA 45 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1isj n LEU 46 N -2.61 1.60 -0.48 0.00 4.77 -0.52 -3.29 117.00 116.47 1isj n LEU 46 Ca 0.02 -0.64 0.08 0.00 -0.03 0.00 0.00 56.01 55.44 1isj n LEU 46 Cb 0.28 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1isj n LEU 46 CO 0.24 0.32 0.36 0.47 -1.33 0.00 0.00 177.39 177.44 1isj n ASP 47 N 0.27 1.91 -4.86 -1.43 8.00 -0.91 -4.58 116.55 114.96 1isj n ASP 47 Ca 0.17 -1.46 -0.21 0.00 0.71 0.00 0.00 54.79 54.00 1isj n ASP 47 Cb 0.33 0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.68 1isj n ASP 47 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1isj s LYS 48 N -1.70 2.63 0.16 -1.24 1.02 -1.21 -5.07 119.74 114.34 1isj s LYS 48 Ca 0.16 -1.41 -0.32 0.00 0.02 0.00 0.00 55.97 54.43 1isj s LYS 48 Cb 0.13 -2.42 -0.10 0.00 -0.52 0.00 0.00 37.83 34.92 1isj s LYS 48 CO 0.33 -0.02 1.64 0.34 -0.92 0.00 0.00 175.35 176.71 1isj s ASP 49 N -4.04 6.52 0.00 2.83 2.15 -1.26 -4.53 116.67 118.33 1isj s ASP 49 Ca 0.44 2.68 0.00 0.00 0.43 0.00 0.00 52.55 56.10 1isj s ASP 49 Cb -0.05 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1isj s ASP 49 CO 0.27 -0.88 0.28 -0.81 -0.17 0.00 0.00 175.17 173.85 1isj n PRO 50 N 4.24 0.00 -0.07 4.34 -0.04 -1.26 -0.19 135.00 142.02 1isj n PRO 50 Ca 0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1isj n PRO 50 Cb 0.38 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1isj n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1isj n SER 52 N -0.36 1.51 -4.65 0.00 7.64 0.73 -4.32 113.62 114.18 1isj n SER 52 Ca 0.02 -3.33 -0.36 0.00 1.01 0.00 0.00 58.87 56.20 1isj n SER 52 Cb 0.45 -0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 1isj n SER 52 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1isj s VAL 53 N -2.30 5.30 0.21 0.44 1.01 -0.25 -4.82 120.40 119.98 1isj s VAL 53 Ca 0.36 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1isj s VAL 53 Cb 0.37 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1isj s VAL 53 CO -0.09 0.35 0.18 -0.76 0.00 0.00 0.00 175.10 174.78 1isj s LEU 54 N 1.07 3.86 0.28 3.92 1.43 -1.26 -4.28 118.68 123.70 1isj s LEU 54 Ca 0.07 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1isj s LEU 54 Cb -0.14 -2.43 0.50 0.00 0.03 0.00 0.00 46.19 44.16 1isj s LEU 54 CO 0.04 0.01 1.86 -0.65 0.23 0.00 0.00 176.35 177.85 1isj h PRO 55 N 1.91 1.03 0.00 1.29 0.11 -1.96 -0.76 132.00 133.63 1isj h PRO 55 Ca -0.48 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 1isj h PRO 55 Cb 1.22 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1isj h PRO 55 CO 0.62 0.68 -0.01 0.66 -0.21 0.00 0.00 178.00 179.74 1isj h SER 56 N 1.07 0.00 0.04 -2.05 4.64 -1.95 -2.07 113.55 113.23 1isj h SER 56 Ca 0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.78 1isj h SER 56 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1isj h SER 56 CO -0.22 0.01 -0.03 0.44 -0.87 0.00 0.00 176.83 176.16 1isj h ASP 57 N 0.00 0.00 -0.40 4.97 3.32 -1.53 -1.45 116.42 121.33 1isj h ASP 57 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1isj h ASP 57 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1isj h ASP 57 CO 0.00 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.34 1isj n TYR 58 N -4.31 0.88 -0.18 4.55 4.02 -0.78 -4.43 117.16 116.92 1isj n TYR 58 Ca -0.03 -0.36 -0.05 0.00 -0.01 0.00 0.00 57.90 57.45 1isj n TYR 58 Cb 0.12 -0.15 0.04 0.00 -0.02 0.00 0.00 39.34 39.33 1isj n TYR 58 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1isj h ASP 59 N 2.51 0.53 -0.31 7.72 3.32 -1.40 -1.34 116.42 127.46 1isj h ASP 59 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1isj h ASP 59 Cb 0.94 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1isj h ASP 59 CO 0.13 0.38 0.12 0.25 -1.72 0.00 0.00 179.24 178.39 1isj h LEU 60 N 0.65 0.44 -0.46 1.55 6.46 -1.82 -0.94 115.31 121.19 1isj h LEU 60 Ca 0.22 -0.18 0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1isj h LEU 60 Cb 0.02 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 39.75 1isj h LEU 60 CO -0.09 0.50 -0.04 0.15 -0.62 0.00 0.00 178.44 178.33 1isj h PHE 61 N 0.35 -0.11 -0.73 1.25 3.57 -1.73 -0.44 116.94 119.10 1isj h PHE 61 Ca 0.10 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1isj h PHE 61 Cb 0.20 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 1isj h PHE 61 CO -0.00 -0.14 0.32 0.82 -2.23 0.00 0.00 178.31 177.08 1isj h ILE 62 N 0.06 1.24 -0.71 1.41 1.08 -0.89 -1.93 117.51 117.78 1isj h ILE 62 Ca 0.23 -0.73 0.02 0.00 -0.39 0.00 0.00 64.86 63.99 1isj h ILE 62 Cb 0.34 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1isj h ILE 62 CO -0.42 0.30 0.47 0.74 -0.69 0.00 0.00 178.15 178.55 1isj h THR 63 N 1.04 1.14 0.00 -0.27 2.02 0.09 0.37 112.91 117.30 1isj h THR 63 Ca 0.25 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1isj h THR 63 Cb 0.17 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1isj h THR 63 CO -0.03 0.16 -0.30 -0.07 0.37 0.00 0.00 175.52 175.66 1isj h LEU 64 N 0.90 0.00 0.00 2.58 3.38 -0.61 -3.35 115.31 118.21 1isj h LEU 64 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1isj h LEU 64 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1isj h LEU 64 CO -0.07 0.22 -0.89 -1.54 0.09 0.00 0.00 178.44 176.24 1isj n SER 65 N -3.12 1.34 -4.67 -0.43 3.41 -0.77 -4.75 113.62 104.61 1isj n SER 65 Ca 0.03 -0.44 -0.43 0.00 -0.26 0.00 0.00 58.87 57.76 1isj n SER 65 Cb 0.62 1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 65.76 1isj n SER 65 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1isj n ARG 66 N -1.50 1.98 -3.62 4.33 0.63 0.13 -4.50 116.66 114.11 1isj n ARG 66 Ca 0.00 0.70 -0.11 0.00 -0.92 0.00 0.00 57.85 57.52 1isj n ARG 66 Cb 0.21 -2.26 -0.05 0.00 0.45 0.00 0.00 32.46 30.81 1isj n ARG 66 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1isj s HIS 67 N -0.84 -0.25 0.64 -0.14 -3.43 -1.26 -5.04 115.29 104.97 1isj s HIS 67 Ca 0.59 0.01 -0.15 0.00 -0.80 0.00 0.00 55.06 54.71 1isj s HIS 67 Cb -0.61 0.27 -0.01 0.00 -1.43 0.00 0.00 32.58 30.81 1isj s HIS 67 CO 0.59 -0.68 1.09 -1.54 -2.00 0.00 0.00 174.74 172.19 1isj s SER 68 N -2.61 5.35 -0.14 7.38 1.04 -1.26 -5.03 113.70 118.43 1isj s SER 68 Ca 0.01 1.90 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 1isj s SER 68 Cb 0.01 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1isj s SER 68 CO -0.10 -1.47 -0.11 -0.63 0.98 0.00 0.00 173.24 171.91 1isj s ILE 69 N -2.46 3.17 0.43 -1.02 1.01 -1.26 -5.10 121.20 115.97 1isj s ILE 69 Ca 0.65 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 60.42 1isj s ILE 69 Cb -0.18 -2.34 -0.09 0.00 0.01 0.00 0.00 42.46 39.85 1isj s ILE 69 CO 0.41 0.51 1.41 -2.65 0.00 0.00 0.00 174.94 174.63 1isj n PRO 70 N 3.61 2.28 -1.85 2.79 -0.02 -1.26 -4.80 135.00 135.76 1isj n PRO 70 Ca -0.18 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 1isj n PRO 70 Cb 0.53 -2.59 -0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1isj n PRO 70 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1isj s ARG 71 N -2.32 4.06 0.00 -0.52 3.52 -1.26 -2.20 118.95 120.23 1isj s ARG 71 Ca 0.59 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.69 1isj s ARG 71 Cb -0.47 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1isj s ARG 71 CO 0.59 -0.54 0.00 -0.25 -0.81 0.00 0.00 175.30 174.29 1isj n ASP 72 N 0.38 -4.13 -0.15 -2.12 8.00 -0.63 -4.86 116.55 113.04 1isj n ASP 72 Ca 0.02 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.58 1isj n ASP 72 Cb 0.40 -1.91 -0.04 0.00 -0.02 0.00 0.00 41.12 39.55 1isj n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1isj n LYS 73 N -1.12 2.25 -2.28 -1.24 4.76 -0.94 -4.80 118.16 114.79 1isj n LYS 73 Ca 0.00 -0.35 -0.41 0.00 -2.87 0.00 0.00 58.31 54.68 1isj n LYS 73 Cb 0.23 -1.16 -0.03 0.00 -1.84 0.00 0.00 35.03 32.22 1isj n LYS 73 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1isj s SER 74 N -1.99 6.98 -0.20 4.39 0.01 -1.26 -0.39 113.70 121.24 1isj s SER 74 Ca 0.08 2.37 -0.03 0.00 1.31 0.00 0.00 55.95 59.68 1isj s SER 74 Cb 0.11 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.78 1isj s SER 74 CO 0.45 -0.44 0.03 -0.22 0.41 0.00 0.00 173.24 173.47 1isj s LEU 75 N -0.46 1.29 0.48 2.44 2.96 -1.26 -2.35 118.68 121.78 1isj s LEU 75 Ca 0.53 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1isj s LEU 75 Cb -0.35 -0.64 0.02 0.00 0.50 0.00 0.00 46.19 45.72 1isj s LEU 75 CO 0.40 -0.30 0.68 -0.36 -1.32 0.00 0.00 176.35 175.45 1isj s PHE 76 N 1.82 2.95 0.13 5.38 0.40 0.78 -4.38 117.98 125.06 1isj s PHE 76 Ca -0.01 -0.06 -0.25 0.00 -0.60 0.00 0.00 56.93 56.00 1isj s PHE 76 Cb -0.17 -2.52 0.08 0.00 0.51 0.00 0.00 43.02 40.92 1isj s PHE 76 CO -0.08 -0.59 1.06 1.67 0.70 0.00 0.00 175.22 177.98 1isj s TRP 77 N -2.58 -0.04 -0.24 0.36 1.48 -1.26 -0.45 118.94 116.21 1isj s TRP 77 Ca 0.54 -0.25 -0.13 0.00 -1.06 0.00 0.00 56.10 55.19 1isj s TRP 77 Cb -0.10 0.64 0.07 0.00 -1.16 0.00 0.00 33.47 32.92 1isj s TRP 77 CO 0.36 -0.73 0.58 -1.21 -4.06 0.00 0.00 176.95 171.89 1isj s GLU 78 N -2.71 0.58 -1.44 3.25 0.41 -0.88 -4.79 118.70 113.13 1isj s GLU 78 Ca 0.16 1.06 -0.08 0.00 -0.41 0.00 0.00 54.97 55.70 1isj s GLU 78 Cb -0.01 0.08 0.01 0.00 -1.78 0.00 0.00 34.13 32.44 1isj s GLU 78 CO 0.02 -0.15 0.96 0.09 -0.49 0.00 0.00 175.26 175.69 1isj n ASN 79 N 4.31 -6.19 -2.57 -0.19 3.02 -1.26 -3.27 115.26 109.11 1isj n ASN 79 Ca -0.21 -0.46 -0.02 0.00 -0.03 0.00 0.00 54.58 53.85 1isj n ASN 79 Cb 0.57 -4.92 0.12 0.00 -0.61 0.00 0.00 39.78 34.94 1isj n ASN 79 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1isj n SER 80 N -2.83 -1.38 0.00 6.41 3.41 -1.26 -4.51 113.62 113.47 1isj n SER 80 Ca -0.03 -2.20 -0.15 0.00 -0.26 0.00 0.00 58.87 56.23 1isj n SER 80 Cb 0.58 0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 65.08 1isj n SER 80 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1isj h HIS 81 N 0.97 -1.55 -0.93 7.33 2.76 -1.98 -0.46 115.15 121.30 1isj h HIS 81 Ca -0.45 0.06 0.02 0.00 -2.20 0.00 0.00 60.37 57.79 1isj h HIS 81 Cb 1.31 0.69 -0.05 0.00 1.55 0.00 0.00 27.41 30.91 1isj h HIS 81 CO -0.07 -0.54 0.61 -0.07 -1.30 0.00 0.00 177.93 176.56 1isj h LEU 82 N -0.58 1.04 -0.59 0.26 -0.00 -1.99 -2.00 115.31 111.45 1isj h LEU 82 Ca 0.04 -0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.78 1isj h LEU 82 Cb 0.68 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 41.07 1isj h LEU 82 CO -0.42 0.74 -0.10 0.25 -0.00 0.00 0.00 178.44 178.91 1isj h LEU 83 N 1.23 1.02 -0.29 1.67 5.85 -1.90 -1.19 115.31 121.69 1isj h LEU 83 Ca 0.35 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1isj h LEU 83 Cb -0.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 1isj h LEU 83 CO -0.09 1.12 0.15 0.58 -0.34 0.00 0.00 178.44 179.86 1isj h VAL 84 N 0.91 1.14 -0.72 1.05 2.07 -0.76 -0.31 116.25 119.63 1isj h VAL 84 Ca 0.14 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1isj h VAL 84 Cb 0.66 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1isj h VAL 84 CO 0.05 0.14 0.37 0.78 0.02 0.00 0.00 177.57 178.93 1isj h ASN 85 N 0.34 0.92 -0.10 0.57 -0.26 -1.19 0.15 115.58 116.00 1isj h ASN 85 Ca 0.10 -0.11 -0.14 0.00 -0.56 0.00 0.00 56.30 55.59 1isj h ASN 85 Cb 0.09 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1isj h ASN 85 CO -0.01 0.77 -0.42 0.28 -1.06 0.00 0.00 177.43 176.98 1isj h SER 86 N 1.00 0.69 -0.08 5.81 0.02 -1.09 -2.19 113.55 117.71 1isj h SER 86 Ca 0.25 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 60.82 1isj h SER 86 Cb 0.07 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.42 1isj h SER 86 CO -0.04 1.02 -0.20 0.15 -1.14 0.00 0.00 176.83 176.63 1isj h PHE 87 N 0.52 0.35 -0.65 3.45 -0.00 -0.78 -3.04 116.94 116.79 1isj h PHE 87 Ca 0.04 -0.13 0.10 0.00 -0.00 0.00 0.00 57.97 57.98 1isj h PHE 87 Cb 0.95 -0.06 -0.04 0.00 -0.00 0.00 0.00 35.95 36.80 1isj h PHE 87 CO 0.04 0.81 0.43 0.00 -0.00 0.00 0.00 178.31 179.59 1isj h ALA 88 N 0.48 1.96 -6.14 2.41 0.00 -0.73 -3.42 119.26 113.83 1isj h ALA 88 Ca -0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1isj h ALA 88 Cb 0.80 -0.10 0.08 0.00 0.00 0.00 0.00 17.79 18.56 1isj h ALA 88 CO 0.04 -0.10 -0.84 -3.47 0.00 0.00 0.00 179.25 174.87 1isj n ASP 89 N -4.48 -5.66 -3.77 0.00 2.03 -0.83 -1.64 116.55 102.21 1isj n ASP 89 Ca 0.11 -0.88 -0.28 0.00 0.52 0.00 0.00 54.79 54.25 1isj n ASP 89 Cb 0.37 -3.53 0.04 0.00 -0.72 0.00 0.00 41.12 37.28 1isj n ASP 89 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1isj n ASN 90 N -2.59 -5.17 0.00 1.67 5.15 -1.26 -2.04 115.26 111.02 1isj n ASN 90 Ca -0.10 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 1isj n ASN 90 Cb 0.59 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.73 1isj n ASN 90 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1isj n THR 91 N -4.70 0.00 -0.30 -0.44 -2.24 -1.16 -4.93 114.28 100.51 1isj n THR 91 Ca 0.03 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1isj n THR 91 Cb 0.54 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.84 1isj n THR 91 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1isj h ARG 92 N 2.37 1.14 0.00 -0.78 3.08 -1.27 -3.35 114.38 115.56 1isj h ARG 92 Ca 0.00 -0.13 -0.26 0.00 0.07 0.00 0.00 59.98 59.66 1isj h ARG 92 Cb 0.00 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 1isj h ARG 92 CO 0.00 0.83 -1.68 0.54 -1.07 0.00 0.00 179.97 178.59 1isj n ARG 93 N -4.41 0.56 -4.21 0.04 1.74 -0.65 -5.06 116.66 104.67 1isj n ARG 93 Ca 0.08 0.36 -0.14 0.00 -0.77 0.00 0.00 57.85 57.38 1isj n ARG 93 Cb 0.09 -1.57 -0.09 0.00 -1.02 0.00 0.00 32.46 29.87 1isj n ARG 93 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1isj s PHE 94 N -2.52 1.30 -0.59 -1.55 0.40 -1.21 -5.00 117.98 108.81 1isj s PHE 94 Ca -0.32 -1.44 0.06 0.00 -0.60 0.00 0.00 56.93 54.63 1isj s PHE 94 Cb 0.09 -0.56 0.20 0.00 0.51 0.00 0.00 43.02 43.26 1isj s PHE 94 CO 0.47 -0.74 0.55 -0.12 0.70 0.00 0.00 175.22 176.08 1isj n MET 95 N -0.39 1.59 -1.07 0.44 1.56 0.48 -3.73 117.12 116.00 1isj n MET 95 Ca 0.03 -4.13 -0.29 0.00 -0.27 0.00 0.00 57.70 53.04 1isj n MET 95 Cb 0.65 -2.02 0.20 0.00 2.15 0.00 0.00 33.22 34.19 1isj n MET 95 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1isj s PRO 96 N -1.45 -0.01 0.29 2.12 0.04 -1.26 -4.18 135.00 130.55 1isj s PRO 96 Ca 0.32 0.47 0.04 0.00 0.04 0.00 0.00 61.00 61.87 1isj s PRO 96 Cb 0.06 -1.69 0.69 0.00 0.04 0.00 0.00 34.50 33.60 1isj s PRO 96 CO -0.12 -3.02 1.76 1.25 0.04 0.00 0.00 177.00 176.92 1isj h LEU 97 N -2.10 0.68 -0.84 -3.56 5.85 -1.95 0.37 115.31 113.76 1isj h LEU 97 Ca -0.55 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1isj h LEU 97 Cb 1.33 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1isj h LEU 97 CO 0.55 0.23 0.00 -1.54 -0.34 0.00 0.00 178.44 177.34 1isj n SER 98 N -4.82 0.48 -1.07 1.25 3.41 -1.26 -1.49 113.62 110.12 1isj n SER 98 Ca 0.22 0.67 0.07 0.00 -0.26 0.00 0.00 58.87 59.57 1isj n SER 98 Cb 0.55 -0.75 0.28 0.00 -0.26 0.00 0.00 64.21 64.03 1isj n SER 98 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1isj n ASP 99 N -2.09 4.08 -4.55 4.04 8.00 0.13 -3.31 116.55 122.85 1isj n ASP 99 Ca 0.01 -3.06 -0.30 0.00 0.71 0.00 0.00 54.79 52.15 1isj n ASP 99 Cb 0.12 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.54 1isj n ASP 99 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1isj s VAL 100 N -2.86 3.22 0.16 2.53 1.01 -0.56 -4.79 120.40 119.11 1isj s VAL 100 Ca 0.44 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1isj s VAL 100 Cb 0.36 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1isj s VAL 100 CO 0.09 0.13 1.58 0.25 0.00 0.00 0.00 175.10 177.15 1isj h LEU 101 N 3.73 -1.40 -1.97 3.92 5.85 -1.85 0.38 115.31 123.97 1isj h LEU 101 Ca -0.49 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1isj h LEU 101 Cb 1.17 0.62 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 1isj h LEU 101 CO 0.50 -0.36 -0.05 0.10 -0.34 0.00 0.00 178.44 178.30 1isj h TYR 102 N -0.30 0.00 0.08 1.25 -0.00 -1.88 -2.75 116.97 113.37 1isj h TYR 102 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.54 1isj h TYR 102 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.28 1isj h TYR 102 CO -0.63 0.05 -1.87 0.41 -0.00 0.00 0.00 178.16 176.11 1isj n GLY 103 N -0.44 -0.73 0.31 0.10 0.00 -0.64 -4.29 105.19 99.49 1isj n GLY 103 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 1isj n GLY 103 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1isj h ARG 104 N 0.04 0.99 0.00 1.61 9.65 -0.00 -1.27 114.38 125.41 1isj h ARG 104 Ca -0.37 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.45 1isj h ARG 104 Cb 2.03 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 30.38 1isj h ARG 104 CO 0.09 0.66 -0.03 -0.39 2.80 0.00 0.00 179.97 183.10 1isj h VAL 105 N 1.02 0.12 0.00 0.20 -1.51 -1.68 -3.20 116.25 111.20 1isj h VAL 105 Ca 0.32 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1isj h VAL 105 Cb -0.00 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1isj h VAL 105 CO -0.11 0.03 -0.38 0.00 -1.23 0.00 0.00 177.57 175.88 1isj n ALA 106 N -2.12 2.90 -1.71 5.19 0.00 -1.02 -4.56 120.51 119.18 1isj n ALA 106 Ca -0.01 -0.20 -0.65 0.00 0.00 0.00 0.00 53.44 52.58 1isj n ALA 106 Cb 0.23 -0.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.33 1isj n ALA 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1isj n ASP 107 N -1.20 1.26 0.00 0.00 4.64 -0.51 -0.20 116.55 120.54 1isj n ASP 107 Ca 0.01 1.17 0.00 0.00 -1.38 0.00 0.00 54.79 54.59 1isj n ASP 107 Cb 0.11 -0.93 0.00 0.00 -1.04 0.00 0.00 41.12 39.27 1isj n ASP 107 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1isj n PHE 108 N 3.90 0.00 -2.29 -0.67 3.01 -1.26 -4.99 117.46 115.16 1isj n PHE 108 Ca 0.29 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.49 1isj n PHE 108 Cb -0.01 -0.75 0.05 0.00 -0.01 0.00 0.00 39.48 38.76 1isj n PHE 108 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1isj s LEU 109 N 0.00 3.01 0.02 4.37 1.43 0.72 -5.07 118.68 123.16 1isj s LEU 109 Ca 0.00 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 1isj s LEU 109 Cb 0.00 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1isj s LEU 109 CO 0.00 -1.36 -0.04 -0.55 0.23 0.00 0.00 176.35 174.63 1isj s SER 110 N -4.42 0.42 -0.11 2.29 0.15 -1.26 -5.00 113.70 105.77 1isj s SER 110 Ca 0.57 -0.48 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 1isj s SER 110 Cb -0.11 0.07 0.11 0.00 -1.71 0.00 0.00 66.02 64.39 1isj s SER 110 CO 0.45 -0.25 0.93 -1.66 1.20 0.00 0.00 173.24 173.91 1isj s TRP 111 N -1.32 -0.41 0.00 3.44 -2.14 -1.26 -0.94 118.94 116.31 1isj s TRP 111 Ca -0.13 0.61 0.00 0.00 2.66 0.00 0.00 56.10 59.24 1isj s TRP 111 Cb -0.09 0.46 0.00 0.00 -3.10 0.00 0.00 33.47 30.74 1isj s TRP 111 CO -0.01 -0.43 0.00 0.00 -2.66 0.00 0.00 176.95 173.86 1isj s ARG 113 N -1.84 3.70 0.50 0.00 3.52 -1.26 -1.41 118.95 122.16 1isj s ARG 113 Ca 0.00 0.75 -0.21 0.00 -0.13 0.00 0.00 55.73 56.14 1isj s ARG 113 Cb 0.00 -2.13 -0.07 0.00 -1.56 0.00 0.00 34.95 31.19 1isj s ARG 113 CO 0.00 -0.44 1.14 -0.65 -0.81 0.00 0.00 175.30 174.55 1isj s GLN 114 N -4.79 3.55 0.14 5.12 -0.21 0.28 -4.41 119.66 119.34 1isj s GLN 114 Ca 0.55 1.68 -0.21 0.00 0.02 0.00 0.00 55.36 57.40 1isj s GLN 114 Cb -0.11 -2.19 0.02 0.00 1.00 0.00 0.00 33.01 31.74 1isj s GLN 114 CO 0.46 -0.71 1.65 -0.22 -2.12 0.00 0.00 175.29 174.36 1isj h LYS 115 N 1.59 -0.17 -0.00 2.91 3.64 -1.95 -3.28 116.57 119.30 1isj h LYS 115 Ca -0.50 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1isj h LYS 115 Cb 1.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1isj h LYS 115 CO 0.58 -0.11 -0.36 0.00 -2.27 0.00 0.00 179.45 177.29 1isj n ALA 116 N -2.68 3.15 -2.46 5.00 0.00 -1.26 -4.84 120.51 117.43 1isj n ALA 116 Ca -0.01 -0.40 -0.24 0.00 0.00 0.00 0.00 53.44 52.79 1isj n ALA 116 Cb 0.24 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.21 1isj n ALA 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1isj s ASP 117 N -1.74 4.47 0.31 0.00 2.15 -1.24 -5.04 116.67 115.58 1isj s ASP 117 Ca 0.07 -0.99 0.24 0.00 0.43 0.00 0.00 52.55 52.30 1isj s ASP 117 Cb 0.09 -0.55 0.36 0.00 -0.30 0.00 0.00 42.92 42.52 1isj s ASP 117 CO 0.36 -0.45 1.49 0.77 -0.17 0.00 0.00 175.17 177.17 1isj h SER 118 N 1.49 0.00 -4.30 -0.34 4.64 -1.96 -3.33 113.55 109.75 1isj h SER 118 Ca -0.43 -0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.39 1isj h SER 118 Cb 1.25 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.46 1isj h SER 118 CO 0.68 0.01 0.33 -0.83 -0.87 0.00 0.00 176.83 176.15 1isj s GLY 119 N -4.07 1.61 0.40 -0.77 0.00 -1.26 -4.76 107.32 98.47 1isj s GLY 119 Ca 0.06 -0.33 -0.23 0.00 0.00 0.00 0.00 44.72 44.21 1isj s GLY 119 CO 0.69 0.13 1.02 1.08 0.00 0.00 0.00 173.10 176.02 1isj s LEU 120 N -5.82 4.11 -0.50 0.66 1.43 -1.26 -0.55 118.68 116.73 1isj s LEU 120 Ca 0.62 1.94 -0.19 0.00 -1.03 0.00 0.00 54.13 55.46 1isj s LEU 120 Cb -0.14 -4.26 0.06 0.00 0.03 0.00 0.00 46.19 41.88 1isj s LEU 120 CO 0.54 -0.44 0.62 -0.62 0.23 0.00 0.00 176.35 176.67 1isj s ASP 121 N -1.72 6.22 0.00 2.29 -1.08 -0.50 -4.62 116.67 117.27 1isj s ASP 121 Ca 0.58 -0.90 0.27 0.00 -0.52 0.00 0.00 52.55 51.98 1isj s ASP 121 Cb -0.19 -2.29 0.83 0.00 -1.46 0.00 0.00 42.92 39.81 1isj s ASP 121 CO 0.24 -0.88 1.61 -1.22 0.52 0.00 0.00 175.17 175.44 1isj n TYR 122 N 6.13 0.00 -0.06 -5.34 4.02 -1.26 -1.30 117.16 119.35 1isj n TYR 122 Ca -0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.68 1isj n TYR 122 Cb 0.45 -0.08 -0.13 0.00 -0.02 0.00 0.00 39.34 39.57 1isj n TYR 122 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1isj h GLN 123 N 1.68 0.02 -2.19 -0.72 4.15 -1.90 -3.38 115.11 112.77 1isj h GLN 123 Ca 0.00 -0.04 0.20 0.00 0.77 0.00 0.00 58.65 59.59 1isj h GLN 123 Cb 0.52 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.14 1isj h GLN 123 CO 0.00 1.02 0.55 -1.54 -1.93 0.00 0.00 178.83 176.93 1isj s SER 124 N -6.30 -0.15 0.01 -0.69 1.04 -1.26 -3.94 113.70 102.41 1isj s SER 124 Ca -0.19 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 55.85 1isj s SER 124 Cb -0.02 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 1isj s SER 124 CO 0.70 -0.80 0.02 0.00 0.98 0.00 0.00 173.24 174.14 1isj n PRO 126 N 2.03 2.19 -3.00 0.00 -0.04 -1.26 -1.46 135.00 133.46 1isj n PRO 126 Ca -0.20 0.78 -0.19 0.00 -0.04 0.00 0.00 63.50 63.85 1isj n PRO 126 Cb 0.57 -2.61 0.04 0.00 -0.04 0.00 0.00 33.50 31.46 1isj n PRO 126 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1isj s THR 127 N -1.20 2.55 0.52 0.52 -1.32 -1.26 -4.78 115.64 110.66 1isj s THR 127 Ca 0.62 -0.98 0.34 0.00 -1.21 0.00 0.00 61.69 60.46 1isj s THR 127 Cb -0.45 -2.57 0.37 0.00 -1.51 0.00 0.00 72.50 68.34 1isj s THR 127 CO 0.57 0.00 2.21 -1.28 -2.21 0.00 0.00 174.62 173.91 1isj h SER 128 N 0.36 0.00 0.16 8.08 0.87 -1.92 -1.56 113.55 119.54 1isj h SER 128 Ca -0.35 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.97 1isj h SER 128 Cb 1.28 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1isj h SER 128 CO 0.43 0.04 -0.97 -0.08 -0.53 0.00 0.00 176.83 175.71 1isj h GLU 129 N 0.00 0.57 -0.34 2.24 4.81 -1.98 -3.24 114.58 116.64 1isj h GLU 129 Ca -0.00 -0.59 -0.07 0.00 -0.13 0.00 0.00 59.36 58.56 1isj h GLU 129 Cb 0.15 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1isj h GLU 129 CO 0.00 1.21 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.99 1isj h ASP 130 N 0.33 0.65 -3.35 1.04 3.32 -1.67 -3.46 116.42 113.27 1isj h ASP 130 Ca -0.10 -0.35 0.09 0.00 0.02 0.00 0.00 57.03 56.68 1isj h ASP 130 Cb 1.61 -0.18 -0.26 0.00 0.22 0.00 0.00 39.33 40.73 1isj h ASP 130 CO 0.18 0.85 0.54 0.00 -1.72 0.00 0.00 179.24 179.09 1isj h GLU 132 N 3.55 0.86 -2.25 0.00 4.81 -1.82 -3.35 114.58 116.38 1isj h GLU 132 Ca -0.25 -0.24 -0.63 0.00 -0.13 0.00 0.00 59.36 58.11 1isj h GLU 132 Cb 1.17 -0.10 -0.17 0.00 0.63 0.00 0.00 28.75 30.29 1isj h GLU 132 CO 0.18 0.86 1.26 0.09 -0.73 0.00 0.00 179.01 180.66 1isj n ASN 133 N -4.38 7.22 -4.89 1.04 3.02 -1.26 -4.74 115.26 111.27 1isj n ASN 133 Ca 0.01 -3.26 -0.29 0.00 -0.03 0.00 0.00 54.58 51.01 1isj n ASN 133 Cb 0.27 -1.27 -0.01 0.00 -0.61 0.00 0.00 39.78 38.16 1isj n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1isj s ASN 134 N 0.14 6.36 0.22 6.41 2.20 -1.26 -1.09 114.94 127.92 1isj s ASN 134 Ca 0.55 1.11 -0.08 0.00 -0.94 0.00 0.00 52.86 53.50 1isj s ASN 134 Cb 0.30 -2.32 0.32 0.00 -2.00 0.00 0.00 41.25 37.54 1isj s ASN 134 CO -0.18 -0.57 1.77 -0.65 -2.94 0.00 0.00 177.10 174.53 1isj h PRO 135 N 0.51 0.54 0.11 3.55 0.11 -1.83 -2.22 132.00 132.77 1isj h PRO 135 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1isj h PRO 135 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1isj h PRO 135 CO 0.62 0.36 -0.05 0.28 -0.21 0.00 0.00 178.00 178.99 1isj h VAL 136 N 0.55 1.06 -0.47 3.15 2.07 -1.92 -1.99 116.25 118.71 1isj h VAL 136 Ca 0.34 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1isj h VAL 136 Cb 0.37 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1isj h VAL 136 CO -0.27 0.17 0.29 0.44 0.02 0.00 0.00 177.57 178.22 1isj h ASP 137 N -0.50 0.56 0.11 0.57 3.32 -1.90 -1.81 116.42 116.77 1isj h ASP 137 Ca -0.02 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 1isj h ASP 137 Cb 0.40 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1isj h ASP 137 CO 0.03 0.45 -0.16 0.28 -1.72 0.00 0.00 179.24 178.12 1isj h SER 138 N 0.62 0.09 0.12 6.45 0.02 -1.45 -1.67 113.55 117.75 1isj h SER 138 Ca 0.17 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1isj h SER 138 Cb -0.01 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1isj h SER 138 CO -0.03 0.26 -0.06 0.15 -1.14 0.00 0.00 176.83 176.01 1isj h PHE 139 N 0.10 -0.15 0.00 3.45 3.57 -0.73 -2.64 116.94 120.54 1isj h PHE 139 Ca 0.02 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 1isj h PHE 139 Cb 0.34 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1isj h PHE 139 CO 0.00 0.17 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.48 1isj h TRP 140 N -0.48 0.00 -0.10 0.41 4.06 -1.09 0.01 115.95 118.75 1isj h TRP 140 Ca -0.02 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 1isj h TRP 140 Cb 0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1isj h TRP 140 CO 0.03 0.28 0.00 0.87 -3.56 0.00 0.00 178.44 176.06 1isj h LYS 141 N 0.00 0.17 -0.31 0.49 1.57 -1.29 0.19 116.57 117.39 1isj h LYS 141 Ca -0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1isj h LYS 141 Cb 0.55 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1isj h LYS 141 CO 0.04 0.42 0.10 -0.09 -0.57 0.00 0.00 179.45 179.34 1isj h ARG 142 N -0.09 0.47 -0.42 3.15 9.65 -1.09 -1.21 114.38 124.84 1isj h ARG 142 Ca 0.03 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.74 1isj h ARG 142 Cb 0.34 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1isj h ARG 142 CO 0.00 0.52 -0.01 0.00 2.80 0.00 0.00 179.97 183.28 1isj h ALA 143 N 0.93 0.57 -0.21 2.80 0.00 -0.97 -2.11 119.26 120.28 1isj h ALA 143 Ca 0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1isj h ALA 143 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1isj h ALA 143 CO -0.00 0.36 -0.26 0.66 0.00 0.00 0.00 179.25 180.00 1isj h SER 144 N 0.58 0.39 -0.20 0.00 4.64 -0.58 -0.56 113.55 117.83 1isj h SER 144 Ca 0.12 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1isj h SER 144 Cb 0.49 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1isj h SER 144 CO 0.02 0.66 0.10 0.40 -0.87 0.00 0.00 176.83 177.14 1isj h ILE 145 N 0.35 1.13 -0.70 0.95 2.04 -1.04 -1.46 117.51 118.77 1isj h ILE 145 Ca 0.05 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1isj h ILE 145 Cb 0.65 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1isj h ILE 145 CO 0.05 0.12 0.32 -0.61 0.00 0.00 0.00 178.15 178.03 1isj h GLN 146 N 0.19 1.03 -0.75 2.37 5.75 -1.03 -1.88 115.11 120.79 1isj h GLN 146 Ca 0.07 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1isj h GLN 146 Cb 0.11 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.44 1isj h GLN 146 CO -0.01 0.82 0.43 -0.92 -2.65 0.00 0.00 178.83 176.51 1isj h TYR 147 N 0.99 1.01 -0.22 3.99 3.20 -0.93 -2.11 116.97 122.90 1isj h TYR 147 Ca 0.24 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1isj h TYR 147 Cb 0.15 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1isj h TYR 147 CO 0.01 0.70 0.03 0.77 -1.64 0.00 0.00 178.16 178.03 1isj h SER 148 N 1.03 0.36 -0.56 -2.11 0.02 -0.97 -2.75 113.55 108.57 1isj h SER 148 Ca 0.27 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1isj h SER 148 Cb 0.00 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1isj h SER 148 CO -0.05 0.53 0.37 0.11 -1.14 0.00 0.00 176.83 176.66 1isj h LYS 149 N 0.17 0.69 -0.15 3.45 1.57 -1.15 -2.62 116.57 118.53 1isj h LYS 149 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1isj h LYS 149 Cb 0.33 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1isj h LYS 149 CO 0.01 0.46 0.00 -0.25 -0.57 0.00 0.00 179.45 179.09 1isj n ASP 150 N -4.46 1.99 -4.82 0.86 8.00 -0.81 -4.73 116.55 112.58 1isj n ASP 150 Ca 0.06 -1.72 -0.34 0.00 0.71 0.00 0.00 54.79 53.50 1isj n ASP 150 Cb 0.08 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 1isj n ASP 150 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1isj s SER 151 N -1.70 6.97 0.22 -2.24 0.01 -0.99 -4.41 113.70 111.56 1isj s SER 151 Ca 0.34 1.50 -0.18 0.00 1.31 0.00 0.00 55.95 58.92 1isj s SER 151 Cb 0.19 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.99 1isj s SER 151 CO 0.29 -0.17 0.56 -0.94 0.41 0.00 0.00 173.24 173.39 1isj s SER 152 N -2.01 -0.24 0.18 2.44 1.04 -1.26 -4.72 113.70 109.13 1isj s SER 152 Ca 0.53 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1isj s SER 152 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1isj s SER 152 CO 0.18 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1isj n GLY 153 N -0.37 0.36 3.66 7.32 0.00 0.17 -1.60 105.19 114.73 1isj n GLY 153 Ca -0.08 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1isj n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1isj s VAL 154 N 0.00 4.77 -0.26 1.61 1.01 -1.26 -0.64 120.40 125.63 1isj s VAL 154 Ca 0.00 1.85 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 1isj s VAL 154 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1isj s VAL 154 CO 0.00 -0.09 0.35 -0.63 0.00 0.00 0.00 175.10 174.73 1isj s ILE 155 N 2.77 5.20 0.03 2.22 -1.09 0.04 -4.13 121.20 126.24 1isj s ILE 155 Ca 0.41 0.55 0.01 0.00 -2.23 0.00 0.00 60.65 59.40 1isj s ILE 155 Cb -0.16 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 1isj s ILE 155 CO 0.09 0.19 0.08 -1.00 -1.23 0.00 0.00 174.94 173.07 1isj s HIS 156 N 1.84 3.24 -0.02 3.97 3.76 -0.99 -0.13 115.29 126.95 1isj s HIS 156 Ca 0.15 0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 55.20 1isj s HIS 156 Cb -0.15 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 31.88 1isj s HIS 156 CO 0.09 0.53 0.03 0.08 -0.85 0.00 0.00 174.74 174.63 1isj s VAL 157 N -1.28 -0.06 -0.20 -0.90 1.01 -0.41 -0.15 120.40 118.41 1isj s VAL 157 Ca 0.26 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 1isj s VAL 157 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1isj s VAL 157 CO 0.17 0.10 -0.00 -0.32 0.00 0.00 0.00 175.10 175.05 1isj s MET 158 N 1.21 3.61 0.26 2.72 1.75 0.40 0.33 119.30 129.58 1isj s MET 158 Ca -0.07 -0.52 0.11 0.00 -1.25 0.00 0.00 55.69 53.95 1isj s MET 158 Cb -0.13 -3.07 -0.05 0.00 2.84 0.00 0.00 34.83 34.42 1isj s MET 158 CO -0.03 0.01 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.64 1isj s LEU 159 N 1.01 2.57 -0.44 4.11 1.43 0.57 -2.06 118.68 125.86 1isj s LEU 159 Ca 0.02 -1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 51.96 1isj s LEU 159 Cb -0.14 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.10 1isj s LEU 159 CO 0.02 0.01 0.34 0.21 0.23 0.00 0.00 176.35 177.16 1isj s ASN 160 N -3.39 6.03 0.00 2.29 3.84 -1.20 -1.30 114.94 121.21 1isj s ASN 160 Ca 0.28 -1.24 0.26 0.00 0.21 0.00 0.00 52.86 52.37 1isj s ASN 160 Cb -0.05 -2.14 1.58 0.00 -0.55 0.00 0.00 41.25 40.10 1isj s ASN 160 CO 0.13 -0.57 1.95 0.61 -2.79 0.00 0.00 177.10 176.44 1isj n GLY 161 N 5.14 -0.88 0.53 1.21 0.00 0.26 -2.76 105.19 108.68 1isj n GLY 161 Ca -0.12 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.80 1isj n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1isj n SER 162 N -0.97 2.09 -4.67 1.61 7.64 -1.25 -1.33 113.62 116.74 1isj n SER 162 Ca 0.20 -1.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.11 1isj n SER 162 Cb 0.09 0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1isj n SER 162 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1isj s GLU 163 N -1.14 4.25 0.56 1.43 2.56 -1.11 -4.76 118.70 120.49 1isj s GLU 163 Ca 0.15 1.85 0.31 0.00 0.00 0.00 0.00 54.97 57.28 1isj s GLU 163 Cb 0.11 -3.74 1.46 0.00 2.00 0.00 0.00 34.13 33.97 1isj s GLU 163 CO 0.17 -0.67 1.86 -1.35 -0.56 0.00 0.00 175.26 174.72 1isj h PRO 164 N 8.29 0.00 -0.46 4.30 0.11 -1.93 0.15 132.00 142.47 1isj h PRO 164 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1isj h PRO 164 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1isj h PRO 164 CO 0.94 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.98 1isj n THR 165 N -4.00 0.60 0.00 -1.15 -2.24 -1.26 -5.04 114.28 101.18 1isj n THR 165 Ca 0.15 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1isj n THR 165 Cb 0.89 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1isj n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1isj n GLY 166 N 1.34 1.87 0.10 3.38 0.00 0.04 -4.79 105.19 107.13 1isj n GLY 166 Ca 0.18 -1.97 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 1isj n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1isj h ALA 167 N 0.00 0.64 -3.77 4.61 0.00 -1.79 -3.43 119.26 115.53 1isj h ALA 167 Ca 0.00 -0.71 -0.67 0.00 0.00 0.00 0.00 54.91 53.53 1isj h ALA 167 Cb 0.00 -0.13 -0.38 0.00 0.00 0.00 0.00 17.79 17.29 1isj h ALA 167 CO 0.00 0.98 -0.76 -0.47 0.00 0.00 0.00 179.25 179.00 1isj s TYR 168 N -3.11 3.47 -0.37 0.00 5.04 -1.26 -4.36 117.35 116.77 1isj s TYR 168 Ca 0.00 -2.58 -0.27 0.00 -2.44 0.00 0.00 57.07 51.78 1isj s TYR 168 Cb 0.11 -2.36 0.02 0.00 0.35 0.00 0.00 41.96 40.07 1isj s TYR 168 CO 0.78 -0.91 0.98 -1.25 -1.34 0.00 0.00 175.55 173.82 1isj s PRO 169 N 1.03 3.88 0.32 4.97 0.04 -1.26 -4.87 135.00 139.12 1isj s PRO 169 Ca -0.01 0.69 0.22 0.00 0.04 0.00 0.00 61.00 61.95 1isj s PRO 169 Cb -0.20 -3.80 1.19 0.00 0.04 0.00 0.00 34.50 31.73 1isj s PRO 169 CO -0.06 -0.98 1.68 0.44 0.04 0.00 0.00 177.00 178.12 1isj n ILE 170 N 6.04 1.01 -0.69 0.56 -5.35 -1.26 -2.05 119.36 117.61 1isj n ILE 170 Ca 0.09 0.71 0.07 0.00 -0.27 0.00 0.00 62.75 63.35 1isj n ILE 170 Cb 0.48 -1.71 0.19 0.00 -1.74 0.00 0.00 39.64 36.86 1isj n ILE 170 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1isj n LYS 171 N -2.27 2.68 -2.01 6.28 4.01 -1.26 -4.61 118.16 120.97 1isj n LYS 171 Ca -0.01 -2.46 -0.29 0.00 -0.51 0.00 0.00 58.31 55.03 1isj n LYS 171 Cb 0.05 -1.56 0.17 0.00 -0.51 0.00 0.00 35.03 33.18 1isj n LYS 171 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1isj s GLY 172 N -1.73 1.77 0.35 0.72 0.00 -0.87 -4.80 107.32 102.76 1isj s GLY 172 Ca 0.32 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.84 1isj s GLY 172 CO 0.09 -0.51 1.92 0.74 0.00 0.00 0.00 173.10 175.34 1isj h PHE 173 N -1.48 0.59 -0.35 1.90 -1.00 -1.95 -1.13 116.94 113.52 1isj h PHE 173 Ca -0.43 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.28 1isj h PHE 173 Cb 1.24 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 1isj h PHE 173 CO -0.97 0.50 0.10 0.35 -1.61 0.00 0.00 178.31 176.69 1isj h PHE 174 N 0.58 0.57 -0.10 -0.55 3.57 -1.91 0.26 116.94 119.36 1isj h PHE 174 Ca 0.14 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1isj h PHE 174 Cb 0.20 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1isj h PHE 174 CO 0.01 0.56 -0.17 0.00 -2.23 0.00 0.00 178.31 176.48 1isj h ALA 175 N 0.95 0.16 0.00 2.41 0.00 -1.73 -0.74 119.26 120.31 1isj h ALA 175 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1isj h ALA 175 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1isj h ALA 175 CO -0.00 0.08 -1.05 -0.25 0.00 0.00 0.00 179.25 178.03 1isj n ASP 176 N -4.56 0.72 0.00 0.00 8.00 -0.46 -4.43 116.55 115.83 1isj n ASP 176 Ca -0.07 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1isj n ASP 176 Cb 0.39 0.60 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 1isj n ASP 176 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1isj n TYR 177 N -2.46 0.00 -0.11 1.24 4.02 0.02 -4.80 117.16 115.08 1isj n TYR 177 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 1isj n TYR 177 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.77 1isj n TYR 177 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1isj n GLU 178 N -1.06 0.47 -0.18 -0.72 1.02 -0.86 -4.24 120.64 115.08 1isj n GLU 178 Ca 0.00 0.21 -0.01 0.00 -0.02 0.00 0.00 57.16 57.33 1isj n GLU 178 Cb 0.00 -1.30 0.08 0.00 -0.02 0.00 0.00 31.44 30.20 1isj n GLU 178 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1isj h ILE 179 N -0.81 0.72 0.00 -3.67 2.04 -1.34 -0.98 117.51 113.46 1isj h ILE 179 Ca -0.51 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1isj h ILE 179 Cb 1.42 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1isj h ILE 179 CO -0.31 0.05 0.00 -0.65 0.00 0.00 0.00 178.15 177.24 1isj h PRO 180 N 0.28 0.00 -0.28 2.37 0.11 -1.81 -2.91 132.00 129.75 1isj h PRO 180 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1isj h PRO 180 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1isj h PRO 180 CO -0.34 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.54 1isj n ASN 181 N -2.50 2.85 -4.75 -2.05 3.02 -0.40 -4.97 115.26 106.46 1isj n ASN 181 Ca -0.00 -1.84 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 1isj n ASN 181 Cb 0.13 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1isj n ASN 181 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1isj s LEU 182 N -1.12 4.46 -0.76 3.41 1.43 -1.06 -3.42 118.68 121.63 1isj s LEU 182 Ca 0.26 2.35 -0.19 0.00 -1.03 0.00 0.00 54.13 55.52 1isj s LEU 182 Cb 0.15 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.87 1isj s LEU 182 CO 0.21 -0.39 0.94 -1.10 0.23 0.00 0.00 176.35 176.24 1isj s GLN 183 N -0.70 3.33 0.38 1.70 -1.52 -1.26 -4.92 119.66 116.67 1isj s GLN 183 Ca 0.51 -1.47 0.19 0.00 -1.95 0.00 0.00 55.36 52.65 1isj s GLN 183 Cb -0.34 -4.52 1.18 0.00 -0.22 0.00 0.00 33.01 29.10 1isj s GLN 183 CO 0.40 -1.68 1.67 0.87 -0.25 0.00 0.00 175.29 176.30 1isj h LYS 184 N 9.03 0.26 0.00 2.91 1.57 -1.92 0.18 116.57 128.60 1isj h LYS 184 Ca -0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1isj h LYS 184 Cb 1.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1isj h LYS 184 CO 1.09 0.18 0.00 1.05 -0.57 0.00 0.00 179.45 181.20 1isj h GLU 185 N 0.27 0.00 -0.02 3.15 4.11 -2.01 -2.55 114.58 117.54 1isj h GLU 185 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.16 1isj h GLU 185 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1isj h GLU 185 CO -0.50 0.00 -0.26 1.63 0.07 0.00 0.00 179.01 179.96 1isj n LYS 186 N -3.03 1.58 -3.82 1.06 5.02 0.63 -4.95 118.16 114.64 1isj n LYS 186 Ca -0.01 -1.07 -0.36 0.00 -2.02 0.00 0.00 58.31 54.85 1isj n LYS 186 Cb 0.20 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1isj n LYS 186 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1isj s ILE 187 N -1.88 4.86 -0.07 -0.18 1.01 -0.96 0.45 121.20 124.44 1isj s ILE 187 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 1isj s ILE 187 Cb 0.14 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.28 1isj s ILE 187 CO 0.38 0.38 0.50 0.74 0.00 0.00 0.00 174.94 176.94 1isj h THR 188 N 5.12 0.34 -3.00 2.92 2.02 -1.17 -3.46 112.91 115.67 1isj h THR 188 Ca -0.37 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 65.89 1isj h THR 188 Cb 1.17 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 1isj h THR 188 CO 0.65 0.10 0.23 0.00 0.37 0.00 0.00 175.52 176.86 1isj s ARG 189 N -2.71 1.75 -0.10 6.66 1.70 -1.24 -4.53 118.95 120.48 1isj s ARG 189 Ca -0.07 -0.95 0.04 0.00 -0.47 0.00 0.00 55.73 54.27 1isj s ARG 189 Cb 0.00 0.61 0.00 0.00 -0.57 0.00 0.00 34.95 34.99 1isj s ARG 189 CO 0.26 -0.80 -0.24 0.42 -1.08 0.00 0.00 175.30 173.86 1isj s ILE 190 N -3.91 2.06 -0.18 4.99 1.01 -0.52 -0.78 121.20 123.88 1isj s ILE 190 Ca 0.10 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1isj s ILE 190 Cb -0.06 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.65 1isj s ILE 190 CO 0.06 0.56 -0.16 -0.70 0.00 0.00 0.00 174.94 174.69 1isj s GLU 191 N 0.38 2.62 -0.02 2.79 2.12 0.81 -1.65 118.70 125.75 1isj s GLU 191 Ca -0.18 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.23 1isj s GLU 191 Cb -0.18 -2.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1isj s GLU 191 CO 0.08 -0.28 0.32 0.42 -0.54 0.00 0.00 175.26 175.27 1isj s ILE 192 N 1.34 5.20 -0.24 -3.70 -1.09 0.12 -1.28 121.20 121.54 1isj s ILE 192 Ca 0.03 0.53 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 1isj s ILE 192 Cb -0.14 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.19 1isj s ILE 192 CO -0.11 0.52 -0.12 0.26 -1.23 0.00 0.00 174.94 174.25 1isj s TRP 193 N -1.14 3.15 -0.50 3.97 0.51 0.15 -0.25 118.94 124.83 1isj s TRP 193 Ca 0.23 -2.13 -0.16 0.00 -2.12 0.00 0.00 56.10 51.93 1isj s TRP 193 Cb -0.15 -1.94 0.09 0.00 -0.81 0.00 0.00 33.47 30.67 1isj s TRP 193 CO 0.12 -0.86 0.44 0.08 -0.51 0.00 0.00 176.95 176.23 1isj s VAL 194 N 1.16 5.21 -0.04 4.03 1.01 -0.12 -0.32 120.40 131.33 1isj s VAL 194 Ca -0.05 -1.19 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 1isj s VAL 194 Cb -0.18 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1isj s VAL 194 CO -0.07 -0.69 0.35 -0.04 0.00 0.00 0.00 175.10 174.65 1isj s MET 195 N 1.67 3.85 0.08 2.72 -1.94 -0.42 -0.28 119.30 124.99 1isj s MET 195 Ca 0.04 0.29 0.08 0.00 -1.71 0.00 0.00 55.69 54.38 1isj s MET 195 Cb -0.26 -3.23 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 1isj s MET 195 CO 0.06 0.67 -0.16 -1.01 -0.01 0.00 0.00 175.02 174.56 1isj s HIS 196 N -0.93 2.59 0.48 -0.03 3.76 -1.26 0.92 115.29 120.83 1isj s HIS 196 Ca 0.22 -0.23 -0.23 0.00 -0.15 0.00 0.00 55.06 54.67 1isj s HIS 196 Cb -0.15 -1.42 -0.07 0.00 1.11 0.00 0.00 32.58 32.05 1isj s HIS 196 CO 0.11 0.34 1.23 -1.21 -0.85 0.00 0.00 174.74 174.35 1isj s GLU 197 N -1.83 3.58 0.03 1.40 0.41 -1.26 -4.89 118.70 116.13 1isj s GLU 197 Ca 0.17 1.92 -0.32 0.00 -0.41 0.00 0.00 54.97 56.33 1isj s GLU 197 Cb -0.11 -2.37 -0.11 0.00 -1.78 0.00 0.00 34.13 29.76 1isj s GLU 197 CO 0.09 -0.74 1.87 -0.89 -0.49 0.00 0.00 175.26 175.09 1isj n ILE 198 N -0.63 0.52 0.00 -1.63 2.08 -1.26 -0.02 119.36 118.42 1isj n ILE 198 Ca 0.08 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1isj n ILE 198 Cb 0.47 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 37.32 1isj n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1isj n GLY 199 N 4.31 1.11 3.22 7.39 0.00 -1.26 -4.91 105.19 115.04 1isj n GLY 199 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1isj n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1isj n GLY 200 N -0.69 -2.63 3.74 -0.02 0.00 0.97 -4.90 105.19 101.66 1isj n GLY 200 Ca 0.00 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1isj n GLY 200 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1isj s PRO 201 N -3.11 4.44 -1.18 1.61 0.04 -1.26 -4.63 135.00 130.91 1isj s PRO 201 Ca 0.51 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 63.44 1isj s PRO 201 Cb -0.07 -3.21 0.23 0.00 0.04 0.00 0.00 34.50 31.49 1isj s PRO 201 CO 0.66 -0.16 1.56 -1.71 0.04 0.00 0.00 177.00 177.39 1isj n ASN 202 N 2.41 5.57 -0.04 6.66 4.05 -1.26 -3.91 115.26 128.74 1isj n ASN 202 Ca 0.05 -3.16 -0.11 0.00 0.45 0.00 0.00 54.58 51.81 1isj n ASN 202 Cb 0.44 -1.42 -0.04 0.00 1.23 0.00 0.00 39.78 39.98 1isj n ASN 202 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1isj h VAL 203 N 3.82 1.10 -3.54 3.44 2.07 -1.50 -3.45 116.25 118.19 1isj h VAL 203 Ca 0.29 -0.25 -0.19 0.00 0.82 0.00 0.00 66.70 67.37 1isj h VAL 203 Cb 0.71 0.95 -0.25 0.00 -1.52 0.00 0.00 31.29 31.18 1isj h VAL 203 CO 1.37 0.09 -0.59 -1.61 0.02 0.00 0.00 177.57 176.85 1isj s GLU 204 N -5.90 0.21 0.41 1.57 2.02 -0.83 -5.02 118.70 111.16 1isj s GLU 204 Ca -0.13 -0.03 0.04 0.00 0.02 0.00 0.00 54.97 54.87 1isj s GLU 204 Cb 0.08 0.09 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 1isj s GLU 204 CO 0.69 -0.04 0.04 -1.12 0.02 0.00 0.00 175.26 174.85 1isj s SER 205 N -0.35 3.39 0.21 -0.19 0.01 -1.26 -4.53 113.70 110.97 1isj s SER 205 Ca -0.04 -1.48 -0.31 0.00 1.31 0.00 0.00 55.95 55.42 1isj s SER 205 Cb -0.03 0.02 -0.15 0.00 0.21 0.00 0.00 66.02 66.07 1isj s SER 205 CO 0.00 -0.65 1.14 0.00 0.41 0.00 0.00 173.24 174.14 1isj n GLY 207 N 1.85 0.44 3.49 0.00 0.00 -1.26 -5.03 105.19 104.68 1isj n GLY 207 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1isj n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1isj s GLU 208 N -0.34 1.75 0.00 1.61 2.02 -0.76 -4.61 118.70 118.38 1isj s GLU 208 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1isj s GLU 208 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1isj s GLU 208 CO 0.00 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1isj n GLY 209 N 0.23 2.39 0.33 -1.39 0.00 -1.26 -0.39 105.19 105.09 1isj n GLY 209 Ca -0.12 0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.18 1isj n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1isj h SER 210 N 0.00 0.00 0.50 1.61 4.64 -1.94 0.63 113.55 118.99 1isj h SER 210 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1isj h SER 210 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1isj h SER 210 CO 0.00 0.00 -0.07 0.24 -0.87 0.00 0.00 176.83 176.13 1isj h MET 211 N 0.00 0.00 0.03 4.77 2.07 -1.04 -1.76 114.93 118.99 1isj h MET 211 Ca 0.05 0.00 -0.25 0.00 -2.07 0.00 0.00 59.70 57.44 1isj h MET 211 Cb 0.37 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.11 1isj h MET 211 CO -0.00 0.07 -1.02 0.87 1.07 0.00 0.00 176.91 177.90 1isj h LYS 212 N 0.00 0.48 -0.57 1.72 1.57 -0.86 -2.37 116.57 116.54 1isj h LYS 212 Ca -0.00 -0.55 -0.03 0.00 -1.87 0.00 0.00 60.65 58.20 1isj h LYS 212 Cb 0.34 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1isj h LYS 212 CO 0.01 1.19 0.24 0.28 -0.57 0.00 0.00 179.45 180.60 1isj h VAL 213 N 0.25 1.22 0.00 0.50 2.07 -1.38 -1.48 116.25 117.43 1isj h VAL 213 Ca -0.11 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1isj h VAL 213 Cb 1.67 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1isj h VAL 213 CO 0.18 0.26 -0.00 0.25 0.02 0.00 0.00 177.57 178.28 1isj h LEU 214 N 0.78 -0.01 -0.58 2.57 5.85 -1.43 -2.05 115.31 120.45 1isj h LEU 214 Ca 0.19 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.66 1isj h LEU 214 Cb 0.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1isj h LEU 214 CO -0.02 0.30 0.32 -0.08 -0.34 0.00 0.00 178.44 178.61 1isj h GLU 215 N -0.31 0.59 -0.82 1.25 4.81 -1.37 -0.87 114.58 117.85 1isj h GLU 215 Ca -0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1isj h GLU 215 Cb 0.30 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1isj h GLU 215 CO 0.00 0.39 0.49 -0.22 -0.73 0.00 0.00 179.01 178.94 1isj h LYS 216 N 0.60 1.12 -0.11 1.92 3.64 -1.23 -0.29 116.57 122.23 1isj h LYS 216 Ca 0.25 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1isj h LYS 216 Cb 0.13 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1isj h LYS 216 CO -0.15 0.80 0.03 -0.09 -2.27 0.00 0.00 179.45 177.77 1isj h ARG 217 N 1.13 0.18 -0.36 1.90 1.12 -0.71 -0.12 114.38 117.52 1isj h ARG 217 Ca 0.29 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 59.12 1isj h ARG 217 Cb -0.03 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 29.89 1isj h ARG 217 CO -0.05 0.33 0.19 -0.07 -3.11 0.00 0.00 179.97 177.26 1isj h LEU 218 N -0.01 0.45 -0.51 3.80 3.38 -0.95 -0.82 115.31 120.65 1isj h LEU 218 Ca 0.04 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1isj h LEU 218 Cb 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1isj h LEU 218 CO -0.00 0.41 -0.02 0.11 0.09 0.00 0.00 178.44 179.02 1isj h LYS 219 N 0.45 0.92 -0.34 1.13 1.57 -1.03 -1.47 116.57 117.81 1isj h LYS 219 Ca 0.13 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1isj h LYS 219 Cb 0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1isj h LYS 219 CO -0.02 0.96 0.22 -0.44 -0.57 0.00 0.00 179.45 179.60 1isj h ASP 220 N 0.79 0.37 0.42 0.86 3.32 -0.78 0.14 116.42 121.54 1isj h ASP 220 Ca 0.14 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1isj h ASP 220 Cb 0.56 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1isj h ASP 220 CO 0.03 0.27 0.00 0.23 -1.72 0.00 0.00 179.24 178.05 1isj n MET 221 N -4.49 0.42 -0.44 3.56 2.81 -0.33 -4.88 117.12 113.77 1isj n MET 221 Ca 0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1isj n MET 221 Cb 0.08 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1isj n MET 221 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1isj n GLY 222 N 0.85 0.78 3.81 3.03 0.00 0.49 -5.07 105.19 109.08 1isj n GLY 222 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1isj n GLY 222 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1isj s PHE 223 N -2.06 3.50 0.05 1.61 0.40 -0.60 -5.00 117.98 115.89 1isj s PHE 223 Ca 0.00 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 57.61 1isj s PHE 223 Cb 0.00 -2.80 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 1isj s PHE 223 CO 0.00 0.10 1.00 -1.14 0.70 0.00 0.00 175.22 175.88 1isj s GLN 224 N -2.58 4.60 0.22 0.44 0.74 -1.26 -4.38 119.66 117.43 1isj s GLN 224 Ca 0.54 1.48 0.11 0.00 0.05 0.00 0.00 55.36 57.54 1isj s GLN 224 Cb -0.14 -3.41 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 1isj s GLN 224 CO 0.19 0.02 -0.20 -0.47 -0.55 0.00 0.00 175.29 174.28 1isj s TYR 225 N 0.60 2.35 -0.25 1.67 5.04 -1.26 -1.43 117.35 124.07 1isj s TYR 225 Ca 0.51 -0.33 -0.26 0.00 -2.44 0.00 0.00 57.07 54.55 1isj s TYR 225 Cb -0.23 -1.12 0.07 0.00 0.35 0.00 0.00 41.96 41.03 1isj s TYR 225 CO 0.29 0.56 0.74 0.45 -1.34 0.00 0.00 175.55 176.26 1isj s SER 226 N -2.95 -0.71 -0.02 4.32 0.15 -0.66 -4.93 113.70 108.90 1isj s SER 226 Ca 0.24 1.33 0.02 0.00 0.70 0.00 0.00 55.95 58.24 1isj s SER 226 Cb -0.07 1.33 0.01 0.00 -1.71 0.00 0.00 66.02 65.58 1isj s SER 226 CO 0.12 -0.27 -0.05 0.00 1.20 0.00 0.00 173.24 174.24 1isj s ILE 228 N 0.30 0.86 -0.01 0.00 1.01 0.65 -4.94 121.20 119.07 1isj s ILE 228 Ca -0.04 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1isj s ILE 228 Cb -0.07 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1isj s ILE 228 CO -0.00 0.33 0.97 0.20 0.00 0.00 0.00 174.94 176.44 1isj s ASN 229 N 1.47 7.35 -1.25 3.58 0.01 -1.26 -0.95 114.94 123.89 1isj s ASN 229 Ca -0.01 1.63 -0.10 0.00 -0.71 0.00 0.00 52.86 53.68 1isj s ASN 229 Cb -0.13 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 38.96 1isj s ASN 229 CO -0.04 -0.27 0.67 0.47 -1.51 0.00 0.00 177.10 176.42 1isj n ASP 230 N 3.99 -3.06 -4.66 -1.22 8.00 0.61 -4.78 116.55 115.44 1isj n ASP 230 Ca 0.06 -0.96 -0.64 0.00 0.71 0.00 0.00 54.79 53.96 1isj n ASP 230 Cb 0.51 -3.52 -0.10 0.00 -0.02 0.00 0.00 41.12 37.99 1isj n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1isj n TYR 231 N -4.22 1.73 -0.33 1.24 9.36 -1.26 -4.62 117.16 119.06 1isj n TYR 231 Ca -0.20 0.92 0.01 0.00 3.32 0.00 0.00 57.90 61.95 1isj n TYR 231 Cb 0.64 -2.30 0.07 0.00 -0.63 0.00 0.00 39.34 37.12 1isj n TYR 231 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1isj h ARG 232 N 6.39 -0.03 -0.93 2.98 9.65 -1.97 -1.44 114.38 129.04 1isj h ARG 232 Ca -0.39 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.60 1isj h ARG 232 Cb 1.36 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.87 1isj h ARG 232 CO 0.99 -0.02 0.56 -1.35 2.80 0.00 0.00 179.97 182.96 1isj h PRO 233 N -0.03 0.87 -0.07 0.20 0.11 -2.00 0.85 132.00 131.93 1isj h PRO 233 Ca 0.37 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.25 1isj h PRO 233 Cb 0.62 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1isj h PRO 233 CO -0.92 0.58 -0.70 0.28 -0.21 0.00 0.00 178.00 177.03 1isj h VAL 234 N 0.90 1.39 -0.66 3.15 2.07 -1.67 -2.73 116.25 118.71 1isj h VAL 234 Ca 0.46 -2.13 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 1isj h VAL 234 Cb 0.44 2.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1isj h VAL 234 CO -0.26 0.64 0.21 0.50 0.02 0.00 0.00 177.57 178.67 1isj h LYS 235 N 0.23 1.02 -0.84 1.57 1.63 -0.26 -0.49 116.57 119.43 1isj h LYS 235 Ca -0.02 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1isj h LYS 235 Cb 1.26 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.70 1isj h LYS 235 CO 0.12 0.88 0.51 -0.07 -3.45 0.00 0.00 179.45 177.44 1isj h LEU 236 N 0.95 1.00 -0.49 5.20 3.38 -0.78 0.92 115.31 125.50 1isj h LEU 236 Ca 0.21 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1isj h LEU 236 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1isj h LEU 236 CO -0.01 0.76 -0.10 0.25 0.09 0.00 0.00 178.44 179.43 1isj h LEU 237 N 1.15 0.93 -1.23 1.67 5.85 -1.09 -2.40 115.31 120.20 1isj h LEU 237 Ca 0.30 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1isj h LEU 237 Cb -0.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1isj h LEU 237 CO -0.06 1.07 0.05 1.56 -0.34 0.00 0.00 178.44 180.72 1isj h GLN 238 N 0.78 0.58 0.00 1.25 4.20 -0.40 -2.55 115.11 118.97 1isj h GLN 238 Ca 0.13 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1isj h GLN 238 Cb 0.65 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 1isj h GLN 238 CO 0.04 0.57 -0.07 0.00 -0.67 0.00 0.00 178.83 178.70 1isj h VAL 240 N 0.00 0.56 -0.31 0.00 2.07 -1.18 0.21 116.25 117.59 1isj h VAL 240 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1isj h VAL 240 Cb 0.33 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1isj h VAL 240 CO 0.01 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.07 1isj n ASP 241 N -4.15 3.38 -2.69 0.57 8.00 -1.12 -4.41 116.55 116.13 1isj n ASP 241 Ca 0.13 -2.00 -0.07 0.00 0.71 0.00 0.00 54.79 53.56 1isj n ASP 241 Cb 0.76 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.71 1isj n ASP 241 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1isj n HIS 242 N 1.47 0.57 0.16 1.24 8.25 0.67 -4.97 115.22 122.62 1isj n HIS 242 Ca 0.18 -2.55 0.14 0.00 -0.26 0.00 0.00 57.72 55.24 1isj n HIS 242 Cb 0.61 -0.02 0.70 0.00 1.12 0.00 0.00 29.99 32.40 1isj n HIS 242 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1isj h SER 243 N 2.75 0.00 -0.58 0.41 4.64 -1.64 -2.07 113.55 117.05 1isj h SER 243 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1isj h SER 243 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1isj h SER 243 CO 0.36 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.67 1isj n THR 244 N -4.33 0.90 -3.40 2.95 -2.24 -1.26 -4.64 114.28 102.26 1isj n THR 244 Ca 0.02 -0.82 -0.38 0.00 -2.27 0.00 0.00 64.05 60.60 1isj n THR 244 Cb 0.31 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.83 1isj n THR 244 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1isj s HIS 245 N -1.30 3.75 0.34 4.78 5.04 -0.78 -4.99 115.29 122.14 1isj s HIS 245 Ca 0.40 1.10 0.12 0.00 -1.54 0.00 0.00 55.06 55.14 1isj s HIS 245 Cb 0.22 -2.39 0.96 0.00 0.04 0.00 0.00 32.58 31.41 1isj s HIS 245 CO 0.26 0.59 1.73 -1.00 -2.34 0.00 0.00 174.74 173.98 1isj h PRO 246 N 4.77 0.49 -0.06 2.88 0.13 -1.91 0.45 132.00 138.74 1isj h PRO 246 Ca -0.50 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1isj h PRO 246 Cb 1.22 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1isj h PRO 246 CO 0.63 0.33 0.07 -0.44 -0.23 0.00 0.00 178.00 178.35 1isj h ASP 247 N 0.51 0.00 -0.40 1.44 3.45 -1.94 -2.59 116.42 116.89 1isj h ASP 247 Ca 0.65 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.11 1isj h ASP 247 Cb 1.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 1isj h ASP 247 CO -0.45 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.22 1isj s ALA 249 N -1.50 3.45 0.20 0.00 0.00 -0.98 -4.88 121.76 118.04 1isj s ALA 249 Ca 0.33 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 1isj s ALA 249 Cb 0.21 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1isj s ALA 249 CO 0.17 -0.40 0.50 -0.51 0.00 0.00 0.00 175.76 175.52 1isj s LEU 250 N -0.24 4.21 0.00 0.00 1.43 -1.26 -5.09 118.68 117.74 1isj s LEU 250 Ca 0.53 0.84 0.22 0.00 -1.03 0.00 0.00 54.13 54.69 1isj s LEU 250 Cb -0.33 -3.53 1.30 0.00 0.03 0.00 0.00 46.19 43.66 1isj s LEU 250 CO 0.37 -0.02 1.68 0.29 0.23 0.00 0.00 176.35 178.90