#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 0.60 -2.75 -0.99 1.74 -1.24 -4.68 116.66 109.34 1isj n ARG 3 Ca 0.00 -0.07 -0.28 0.00 -0.77 0.00 0.00 57.85 56.74 1isj n ARG 3 Cb 0.00 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 29.80 1isj n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1isj s ALA 4 N -3.43 3.41 0.67 7.54 0.00 -0.07 -4.94 121.76 124.95 1isj s ALA 4 Ca -0.04 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 51.29 1isj s ALA 4 Cb 0.12 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1isj s ALA 4 CO 0.86 -0.23 1.28 -1.83 0.00 0.00 0.00 175.76 175.83 1isj s GLU 5 N -4.47 2.44 1.21 0.00 -1.05 -1.26 -0.67 118.70 114.89 1isj s GLU 5 Ca 0.48 2.01 -0.19 0.00 -0.15 0.00 0.00 54.97 57.12 1isj s GLU 5 Cb -0.10 -1.84 0.29 0.00 -0.44 0.00 0.00 34.13 32.04 1isj s GLU 5 CO 0.41 -1.67 1.08 0.20 0.95 0.00 0.00 175.26 176.23 1isj s GLY 6 N -1.51 1.56 0.36 -3.83 0.00 -1.23 -3.17 107.32 99.50 1isj s GLY 6 Ca 0.81 -0.86 -0.28 0.00 0.00 0.00 0.00 44.72 44.39 1isj s GLY 6 CO 0.41 0.02 1.37 -0.51 0.00 0.00 0.00 173.10 174.38 1isj s THR 7 N -2.89 2.47 0.33 0.90 -4.23 -0.72 -4.56 115.64 106.94 1isj s THR 7 Ca 0.70 0.47 -0.29 0.00 -1.18 0.00 0.00 61.69 61.40 1isj s THR 7 Cb -0.11 -3.30 -0.12 0.00 1.34 0.00 0.00 72.50 70.31 1isj s THR 7 CO 0.57 0.11 1.38 -1.20 -0.54 0.00 0.00 174.62 174.93 1isj n SER 8 N 0.60 3.09 -4.77 3.99 7.64 0.81 -4.69 113.62 120.29 1isj n SER 8 Ca 0.01 1.20 -0.40 0.00 1.01 0.00 0.00 58.87 60.69 1isj n SER 8 Cb 0.41 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.07 1isj n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1isj s ALA 9 N -0.86 3.35 -1.47 -0.43 0.00 -1.26 -2.89 121.76 118.20 1isj s ALA 9 Ca 0.57 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.57 1isj s ALA 9 Cb -0.55 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1isj s ALA 9 CO 0.60 -0.49 0.54 0.72 0.00 0.00 0.00 175.76 177.12 1isj n HIS 10 N 0.63 -1.79 -0.33 0.00 8.25 -1.26 -4.89 115.22 115.84 1isj n HIS 10 Ca 0.01 0.46 0.13 0.00 -0.26 0.00 0.00 57.72 58.06 1isj n HIS 10 Cb 0.44 -4.26 0.32 0.00 1.12 0.00 0.00 29.99 27.61 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 -1.23 0.65 -0.18 2.41 5.85 -1.91 -1.52 115.31 119.39 1isj h LEU 11 Ca -0.50 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 1isj h LEU 11 Cb 1.34 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1isj h LEU 11 CO 0.53 0.19 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.64 1isj h ARG 12 N 0.65 0.38 -0.70 1.25 2.43 -1.90 -1.13 114.38 115.36 1isj h ARG 12 Ca 0.57 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.56 1isj h ARG 12 Cb 0.95 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1isj h ARG 12 CO -0.42 0.69 0.38 -0.44 -1.51 0.00 0.00 179.97 178.67 1isj h ASP 13 N 0.06 0.89 -0.09 -3.80 3.32 -1.80 -1.21 116.42 113.78 1isj h ASP 13 Ca 0.04 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1isj h ASP 13 Cb 0.58 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1isj h ASP 13 CO 0.03 0.73 0.04 0.40 -1.72 0.00 0.00 179.24 178.72 1isj h ILE 14 N 0.97 1.15 0.16 0.35 2.04 -1.27 0.60 117.51 121.51 1isj h ILE 14 Ca 0.25 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1isj h ILE 14 Cb 0.05 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 1isj h ILE 14 CO -0.04 0.13 -0.40 0.15 0.00 0.00 0.00 178.15 177.99 1isj h PHE 15 N -0.01 -1.12 -0.36 1.37 3.57 -1.00 0.12 116.94 119.50 1isj h PHE 15 Ca 0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1isj h PHE 15 Cb 0.18 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1isj h PHE 15 CO -0.01 -0.51 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.48 1isj h LEU 16 N -0.66 0.54 -0.10 0.59 3.38 -1.22 0.01 115.31 117.85 1isj h LEU 16 Ca 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1isj h LEU 16 Cb 0.67 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1isj h LEU 16 CO -0.21 0.62 0.03 1.23 0.09 0.00 0.00 178.44 180.20 1isj h GLY 17 N 0.87 0.17 1.02 0.83 0.00 -0.29 0.11 103.07 105.79 1isj h GLY 17 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1isj h GLY 17 CO 0.01 0.09 0.21 3.21 0.00 0.00 0.00 176.54 180.06 1isj h ARG 18 N -0.02 1.00 -0.21 4.80 3.08 -0.52 -1.84 114.38 120.67 1isj h ARG 18 Ca 0.03 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1isj h ARG 18 Cb 0.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1isj h ARG 18 CO -0.00 0.87 0.12 0.00 -1.07 0.00 0.00 179.97 179.90 1isj h ALA 20 N 1.02 0.95 -0.16 0.00 0.00 -0.59 -2.58 119.26 117.90 1isj h ALA 20 Ca 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1isj h ALA 20 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1isj h ALA 20 CO -0.01 0.21 -0.49 0.93 0.00 0.00 0.00 179.25 179.89 1isj h GLU 21 N 0.86 0.41 -0.27 0.00 5.08 -1.02 -3.13 114.58 116.51 1isj h GLU 21 Ca 0.29 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1isj h GLU 21 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1isj h GLU 21 CO -0.12 0.81 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.61 1isj h TYR 22 N 0.33 0.53 -0.62 4.33 3.20 -0.71 -3.05 116.97 120.97 1isj h TYR 22 Ca 0.02 -0.09 0.12 0.00 3.14 0.00 0.00 58.73 61.92 1isj h TYR 22 Cb 0.98 -0.14 -0.10 0.00 1.54 0.00 0.00 36.73 39.02 1isj h TYR 22 CO 0.03 0.63 0.08 0.00 -1.64 0.00 0.00 178.16 177.26 1isj h ARG 23 N 0.44 0.19 -0.23 1.82 3.08 -1.41 0.28 114.38 118.56 1isj h ARG 23 Ca 0.08 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1isj h ARG 23 Cb 0.56 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1isj h ARG 23 CO 0.04 0.13 0.36 0.00 -1.07 0.00 0.00 179.97 179.42 1isj h ALA 24 N 1.52 1.78 -0.00 0.04 0.00 -1.66 0.38 119.26 121.31 1isj h ALA 24 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1isj h ALA 24 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1isj h ALA 24 CO -0.46 -0.47 -0.26 1.28 0.00 0.00 0.00 179.25 179.33 1isj n LEU 25 N -3.44 0.56 -4.86 0.00 4.77 0.98 -4.87 117.00 110.14 1isj n LEU 25 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1isj n LEU 25 Cb 0.48 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1isj n LEU 25 CO 0.23 0.11 0.19 -0.76 -1.33 0.00 0.00 177.39 175.83 1isj s LEU 26 N -2.73 4.29 0.43 2.23 1.43 0.13 -5.05 118.68 119.41 1isj s LEU 26 Ca 0.20 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.01 1isj s LEU 26 Cb 0.19 -3.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.01 1isj s LEU 26 CO 0.57 0.07 1.21 -0.94 0.23 0.00 0.00 176.35 177.49 1isj s SER 27 N -1.93 6.26 0.50 2.29 1.04 -1.26 -4.67 113.70 115.94 1isj s SER 27 Ca 0.39 2.44 0.38 0.00 0.48 0.00 0.00 55.95 59.64 1isj s SER 27 Cb -0.14 -2.62 1.55 0.00 0.10 0.00 0.00 66.02 64.91 1isj s SER 27 CO 0.20 -0.86 1.66 -0.65 0.98 0.00 0.00 173.24 174.56 1isj h PRO 28 N 2.37 0.06 -0.45 4.02 0.11 -1.97 -0.28 132.00 135.86 1isj h PRO 28 Ca -0.49 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1isj h PRO 28 Cb 1.25 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1isj h PRO 28 CO 0.61 0.04 0.25 1.49 -0.21 0.00 0.00 178.00 180.18 1isj h GLU 29 N 0.06 0.48 -0.25 1.05 4.81 -2.03 -3.13 114.58 115.57 1isj h GLU 29 Ca 0.78 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.99 1isj h GLU 29 Cb 2.85 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 32.12 1isj h GLU 29 CO -0.17 0.32 0.00 1.04 -0.73 0.00 0.00 179.01 179.47 1isj n GLN 30 N -4.87 2.23 0.00 1.92 6.02 -0.27 -4.57 117.38 117.84 1isj n GLN 30 Ca 0.03 -1.78 0.05 0.00 -0.01 0.00 0.00 57.00 55.28 1isj n GLN 30 Cb 0.09 -1.24 0.28 0.00 1.02 0.00 0.00 30.24 30.39 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 0.50 0.20 -2.37 -1.09 0.63 -0.31 -4.40 116.66 109.82 1isj n ARG 31 Ca 0.10 0.14 -0.37 0.00 -0.92 0.00 0.00 57.85 56.80 1isj n ARG 31 Cb 0.38 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.76 1isj n ARG 31 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1isj s ASN 32 N -2.42 6.08 -0.04 6.15 3.04 -1.26 -4.90 114.94 121.58 1isj s ASN 32 Ca 0.12 -1.87 0.04 0.00 0.04 0.00 0.00 52.86 51.18 1isj s ASN 32 Cb 0.07 -2.58 -0.00 0.00 -1.54 0.00 0.00 41.25 37.20 1isj s ASN 32 CO 0.15 -1.94 -0.15 -0.54 -3.04 0.00 0.00 177.10 171.58 1isj s LYS 33 N 5.29 1.64 -0.62 0.43 -0.14 -1.26 -5.09 119.74 119.99 1isj s LYS 33 Ca 0.58 -0.54 -0.11 0.00 -1.36 0.00 0.00 55.97 54.55 1isj s LYS 33 Cb 0.01 -1.43 0.16 0.00 -1.68 0.00 0.00 37.83 34.89 1isj s LYS 33 CO 0.06 0.20 0.52 0.34 -0.76 0.00 0.00 175.35 175.71 1isj s ASP 34 N 0.13 6.03 0.26 2.83 -1.08 -1.26 -4.95 116.67 118.63 1isj s ASP 34 Ca -0.05 -2.32 -0.01 0.00 -0.52 0.00 0.00 52.55 49.66 1isj s ASP 34 Cb -0.11 -2.08 0.52 0.00 -1.46 0.00 0.00 42.92 39.78 1isj s ASP 34 CO 0.02 -0.62 1.79 0.00 0.52 0.00 0.00 175.17 176.88 1isj h THR 36 N 0.76 1.25 -0.29 0.00 2.02 -1.97 0.58 112.91 115.24 1isj h THR 36 Ca 0.46 -0.90 -0.16 0.00 0.77 0.00 0.00 66.41 66.58 1isj h THR 36 Cb 0.56 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1isj h THR 36 CO -0.31 0.34 -0.45 0.00 0.37 0.00 0.00 175.52 175.47 1isj h ALA 37 N 1.21 0.45 -0.89 6.16 0.00 -1.74 -1.45 119.26 122.99 1isj h ALA 37 Ca 0.20 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1isj h ALA 37 Cb 0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1isj h ALA 37 CO -0.00 0.59 0.59 0.82 0.00 0.00 0.00 179.25 181.26 1isj h ILE 38 N 0.59 1.23 -0.53 0.00 2.04 -0.59 0.31 117.51 120.55 1isj h ILE 38 Ca 0.03 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1isj h ILE 38 Cb 1.05 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1isj h ILE 38 CO 0.10 0.22 0.15 -0.25 0.00 0.00 0.00 178.15 178.37 1isj h TRP 39 N 1.21 0.88 -0.73 1.37 2.91 -0.65 -1.87 115.95 119.06 1isj h TRP 39 Ca 0.33 -0.10 -0.03 0.00 1.13 0.00 0.00 58.89 60.22 1isj h TRP 39 Cb -0.14 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.22 1isj h TRP 39 CO -0.00 0.76 0.34 0.93 -1.03 0.00 0.00 178.44 179.44 1isj h GLU 40 N 0.74 1.04 -0.69 2.65 4.39 -0.13 -0.70 114.58 121.88 1isj h GLU 40 Ca 0.17 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1isj h GLU 40 Cb 0.31 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1isj h GLU 40 CO -0.00 0.81 0.13 0.00 -1.16 0.00 0.00 179.01 178.78 1isj h ALA 41 N 1.34 0.92 -0.78 3.43 0.00 -0.71 -2.74 119.26 120.72 1isj h ALA 41 Ca 0.25 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1isj h ALA 41 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1isj h ALA 41 CO -0.03 0.67 0.29 0.35 0.00 0.00 0.00 179.25 180.54 1isj h PHE 42 N 1.06 1.19 -0.06 0.00 3.57 -0.73 -2.61 116.94 119.36 1isj h PHE 42 Ca 0.21 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1isj h PHE 42 Cb 0.43 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1isj h PHE 42 CO 0.03 0.91 -0.11 0.87 -2.23 0.00 0.00 178.31 177.79 1isj h LYS 43 N 1.13 0.09 -0.77 1.11 1.57 -0.86 -2.64 116.57 116.20 1isj h LYS 43 Ca 0.26 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.15 1isj h LYS 43 Cb 0.24 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.44 1isj h LYS 43 CO -0.02 0.21 0.35 0.28 -0.57 0.00 0.00 179.45 179.70 1isj h VAL 44 N 0.09 0.72 0.00 0.50 2.07 -1.22 0.52 116.25 118.94 1isj h VAL 44 Ca 0.02 -0.18 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 1isj h VAL 44 Cb 0.25 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1isj h VAL 44 CO 0.02 0.10 -0.62 0.00 0.02 0.00 0.00 177.57 177.09 1isj h ALA 45 N 1.52 0.62 -0.20 1.67 0.00 -1.60 -3.32 119.26 117.95 1isj h ALA 45 Ca 0.41 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1isj h ALA 45 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1isj h ALA 45 CO -0.36 0.77 -0.34 1.25 0.00 0.00 0.00 179.25 180.56 1isj h LEU 46 N 0.00 0.64 -2.14 0.00 5.85 -0.34 -3.28 115.31 116.04 1isj h LEU 46 Ca -0.01 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.18 1isj h LEU 46 Cb 1.44 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1isj h LEU 46 CO 0.08 1.06 0.00 0.47 -0.34 0.00 0.00 178.44 179.71 1isj n ASP 47 N -4.30 2.88 -4.77 1.25 10.43 0.15 -4.11 116.55 118.08 1isj n ASP 47 Ca -0.06 -1.81 -0.28 0.00 2.57 0.00 0.00 54.79 55.21 1isj n ASP 47 Cb 0.50 -0.50 -0.06 0.00 1.84 0.00 0.00 41.12 42.89 1isj n ASP 47 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1isj s LYS 48 N 0.14 2.19 0.14 -1.24 1.02 -1.24 -5.07 119.74 115.68 1isj s LYS 48 Ca 0.00 -2.12 -0.31 0.00 0.02 0.00 0.00 55.97 53.56 1isj s LYS 48 Cb 0.00 -1.81 -0.10 0.00 -0.52 0.00 0.00 37.83 35.40 1isj s LYS 48 CO 0.00 -0.32 1.71 0.34 -0.92 0.00 0.00 175.35 176.17 1isj s ASP 49 N -3.96 6.49 0.00 2.83 2.15 -1.26 -4.60 116.67 118.31 1isj s ASP 49 Ca 0.26 2.69 0.00 0.00 0.43 0.00 0.00 52.55 55.93 1isj s ASP 49 Cb 0.02 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1isj s ASP 49 CO 0.15 -0.94 0.72 -0.81 -0.17 0.00 0.00 175.17 174.12 1isj n PRO 50 N 4.98 0.00 -0.46 4.34 -0.04 -1.26 -0.26 135.00 142.30 1isj n PRO 50 Ca 0.16 0.26 0.07 0.00 -0.04 0.00 0.00 63.50 63.95 1isj n PRO 50 Cb 0.38 -1.62 0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.96 0.63 -4.64 0.00 7.64 0.64 -4.63 113.62 112.30 1isj n SER 52 Ca 0.14 -2.28 -0.38 0.00 1.01 0.00 0.00 58.87 57.35 1isj n SER 52 Cb 0.72 -0.27 -0.08 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.71 5.20 0.23 0.44 1.01 -0.88 -4.84 120.40 120.86 1isj s VAL 53 Ca 0.10 0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1isj s VAL 53 Cb 0.10 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1isj s VAL 53 CO -0.01 0.22 0.18 -0.76 0.00 0.00 0.00 175.10 174.73 1isj s LEU 54 N 1.61 3.79 0.28 3.92 1.43 -1.26 -4.10 118.68 124.35 1isj s LEU 54 Ca 0.16 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1isj s LEU 54 Cb -0.15 -2.34 0.58 0.00 0.03 0.00 0.00 46.19 44.31 1isj s LEU 54 CO 0.08 -0.01 1.81 -0.65 0.23 0.00 0.00 176.35 177.81 1isj h PRO 55 N 1.70 0.84 0.00 1.29 0.11 -1.95 -0.75 132.00 133.23 1isj h PRO 55 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1isj h PRO 55 Cb 1.23 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1isj h PRO 55 CO 0.61 0.56 -0.02 0.66 -0.21 0.00 0.00 178.00 179.60 1isj h SER 56 N 0.87 0.00 0.37 -2.05 4.64 -1.95 -1.68 113.55 113.75 1isj h SER 56 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1isj h SER 56 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1isj h SER 56 CO -0.31 0.02 0.00 0.44 -0.87 0.00 0.00 176.83 176.11 1isj h ASP 57 N 0.00 0.00 -0.70 4.97 3.32 -1.53 -1.23 116.42 121.25 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 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1isj h ASP 57 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1isj n TYR 58 N -2.65 1.31 -0.15 4.55 4.02 -0.63 -4.37 117.16 119.23 1isj n TYR 58 Ca -0.01 -0.56 -0.04 0.00 -0.01 0.00 0.00 57.90 57.28 1isj n TYR 58 Cb 0.14 -0.15 0.05 0.00 -0.02 0.00 0.00 39.34 39.36 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 4.25 0.30 -0.38 7.72 3.32 -1.36 -1.01 116.42 129.26 1isj h ASP 59 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1isj h ASP 59 Cb 1.28 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1isj h ASP 59 CO 0.14 0.21 0.16 -0.07 -1.72 0.00 0.00 179.24 177.96 1isj h LEU 60 N 0.44 0.51 -0.41 1.55 3.38 -1.82 -0.76 115.31 118.20 1isj h LEU 60 Ca 0.22 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1isj h LEU 60 Cb 0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1isj h LEU 60 CO -0.17 0.52 0.02 0.15 0.09 0.00 0.00 178.44 179.05 1isj h PHE 61 N 0.46 0.02 -0.29 1.13 3.57 -1.65 -1.36 116.94 118.83 1isj h PHE 61 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1isj h PHE 61 Cb 0.16 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1isj h PHE 61 CO -0.01 -0.06 0.15 0.82 -2.23 0.00 0.00 178.31 176.99 1isj h ILE 62 N 0.13 1.14 -0.66 1.41 1.08 -0.91 -1.99 117.51 117.71 1isj h ILE 62 Ca 0.20 -0.38 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1isj h ILE 62 Cb 0.28 0.86 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 1isj h ILE 62 CO -0.31 0.14 0.34 0.74 -0.69 0.00 0.00 178.15 178.36 1isj h THR 63 N 0.34 0.90 0.00 -0.27 2.02 -0.53 0.89 112.91 116.26 1isj h THR 63 Ca 0.10 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1isj h THR 63 Cb 0.09 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1isj h THR 63 CO -0.01 0.11 0.00 -0.07 0.37 0.00 0.00 175.52 175.92 1isj h LEU 64 N 0.61 0.00 0.00 2.58 3.38 -1.10 -3.30 115.31 117.48 1isj h LEU 64 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1isj h LEU 64 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1isj h LEU 64 CO -0.23 0.00 -0.83 -1.54 0.09 0.00 0.00 178.44 175.94 1isj n SER 65 N -3.04 1.15 -4.68 -0.43 3.41 -0.63 -4.78 113.62 104.61 1isj n SER 65 Ca 0.02 -0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 57.70 1isj n SER 65 Cb 0.40 1.16 -0.01 0.00 -0.26 0.00 0.00 64.21 65.51 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 -1.45 2.04 -3.64 4.33 0.63 0.30 -4.50 116.66 114.37 1isj n ARG 66 Ca 0.01 0.71 -0.10 0.00 -0.92 0.00 0.00 57.85 57.55 1isj n ARG 66 Cb 0.20 -2.28 -0.04 0.00 0.45 0.00 0.00 32.46 30.80 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 -1.01 -0.22 0.61 -0.14 -3.43 -1.26 -5.03 115.29 104.81 1isj s HIS 67 Ca 0.57 -0.09 -0.16 0.00 -0.80 0.00 0.00 55.06 54.58 1isj s HIS 67 Cb -0.59 0.34 -0.03 0.00 -1.43 0.00 0.00 32.58 30.88 1isj s HIS 67 CO 0.61 -0.79 1.08 -1.54 -2.00 0.00 0.00 174.74 172.10 1isj s SER 68 N -2.82 5.53 -0.13 7.38 1.04 -1.26 -5.04 113.70 118.39 1isj s SER 68 Ca 0.05 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1isj s SER 68 Cb 0.01 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 1isj s SER 68 CO -0.09 -1.34 -0.14 -0.63 0.98 0.00 0.00 173.24 172.02 1isj s ILE 69 N -2.34 2.96 0.33 -1.02 1.01 -1.26 -5.09 121.20 115.79 1isj s ILE 69 Ca 0.66 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 1isj s ILE 69 Cb -0.18 -2.24 -0.13 0.00 0.01 0.00 0.00 42.46 39.92 1isj s ILE 69 CO 0.37 0.52 1.26 -2.65 0.00 0.00 0.00 174.94 174.45 1isj n PRO 70 N 3.61 2.04 -1.75 2.79 -0.02 -1.26 -4.80 135.00 135.61 1isj n PRO 70 Ca -0.18 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.60 1isj n PRO 70 Cb 0.53 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1isj n PRO 70 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1isj n ARG 71 N 0.61 2.53 -0.84 -0.52 0.63 -1.26 -1.94 116.66 115.87 1isj n ARG 71 Ca 0.05 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 1isj n ARG 71 Cb 0.35 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.68 1isj n ARG 71 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1isj n ASP 72 N 0.60 -1.92 -0.68 6.15 8.00 -0.15 -4.86 116.55 123.69 1isj n ASP 72 Ca 0.02 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.62 1isj n ASP 72 Cb 0.38 -1.68 0.05 0.00 -0.02 0.00 0.00 41.12 39.85 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 -1.51 1.70 -2.34 -1.24 4.76 -0.82 -4.77 118.16 113.95 1isj n LYS 73 Ca 0.00 -1.43 -0.40 0.00 -2.87 0.00 0.00 58.31 53.61 1isj n LYS 73 Cb 0.11 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 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 -1.86 7.00 -0.24 4.39 0.01 -1.26 -0.53 113.70 121.21 1isj s SER 74 Ca 0.21 2.41 -0.04 0.00 1.31 0.00 0.00 55.95 59.84 1isj s SER 74 Cb 0.16 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.84 1isj s SER 74 CO 0.33 -0.34 0.11 -0.22 0.41 0.00 0.00 173.24 173.53 1isj s LEU 75 N -1.72 0.60 0.58 2.44 2.96 -1.26 -2.59 118.68 119.69 1isj s LEU 75 Ca 0.48 -1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1isj s LEU 75 Cb -0.34 -0.35 0.03 0.00 0.50 0.00 0.00 46.19 46.03 1isj s LEU 75 CO 0.44 -0.39 0.84 -0.36 -1.32 0.00 0.00 176.35 175.56 1isj s PHE 76 N 2.07 2.99 0.01 5.38 0.40 0.24 -4.40 117.98 124.68 1isj s PHE 76 Ca 0.06 0.24 -0.29 0.00 -0.60 0.00 0.00 56.93 56.34 1isj s PHE 76 Cb -0.16 -2.80 0.10 0.00 0.51 0.00 0.00 43.02 40.67 1isj s PHE 76 CO -0.24 -0.92 1.09 1.67 0.70 0.00 0.00 175.22 177.52 1isj s TRP 77 N -2.89 -0.15 -0.10 0.36 1.48 -1.26 -0.77 118.94 115.61 1isj s TRP 77 Ca 0.56 -0.02 -0.07 0.00 -1.06 0.00 0.00 56.10 55.51 1isj s TRP 77 Cb -0.10 0.57 0.03 0.00 -1.16 0.00 0.00 33.47 32.81 1isj s TRP 77 CO 0.41 -0.50 0.25 -1.21 -4.06 0.00 0.00 176.95 171.84 1isj s GLU 78 N -2.85 0.26 -1.47 3.25 0.41 -0.91 -4.80 118.70 112.58 1isj s GLU 78 Ca 0.11 0.44 -0.02 0.00 -0.41 0.00 0.00 54.97 55.08 1isj s GLU 78 Cb 0.01 0.03 0.01 0.00 -1.78 0.00 0.00 34.13 32.39 1isj s GLU 78 CO -0.03 -0.09 0.19 0.09 -0.49 0.00 0.00 175.26 174.93 1isj n ASN 79 N 3.53 -5.16 -2.71 -0.19 3.02 -1.26 -3.37 115.26 109.11 1isj n ASN 79 Ca -0.18 -0.06 -0.02 0.00 -0.03 0.00 0.00 54.58 54.29 1isj n ASN 79 Cb 0.56 -4.28 0.11 0.00 -0.61 0.00 0.00 39.78 35.56 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 -2.10 -0.66 -0.01 6.41 3.41 -1.26 -4.64 113.62 114.76 1isj n SER 80 Ca -0.16 -2.18 -0.13 0.00 -0.26 0.00 0.00 58.87 56.13 1isj n SER 80 Cb 0.63 0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.89 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 1.46 -1.39 -0.52 7.33 6.17 -1.97 0.33 115.15 126.57 1isj h HIS 81 Ca -0.36 0.05 -0.05 0.00 0.71 0.00 0.00 60.37 60.73 1isj h HIS 81 Cb 1.29 0.63 -0.02 0.00 2.52 0.00 0.00 27.41 31.82 1isj h HIS 81 CO 0.09 -0.51 0.13 -0.07 0.71 0.00 0.00 177.93 178.28 1isj h LEU 82 N -0.53 0.72 -0.58 0.26 -0.00 -1.99 -1.60 115.31 111.60 1isj h LEU 82 Ca 0.06 -0.12 -0.15 0.00 -0.00 0.00 0.00 57.88 57.67 1isj h LEU 82 Cb 0.65 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1isj h LEU 82 CO -0.42 0.71 -0.45 0.25 -0.00 0.00 0.00 178.44 178.53 1isj h LEU 83 N 0.76 0.67 -0.46 1.67 5.85 -1.89 -2.12 115.31 119.79 1isj h LEU 83 Ca 0.17 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 1isj h LEU 83 Cb 0.27 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1isj h LEU 83 CO -0.00 1.02 -0.06 0.58 -0.34 0.00 0.00 178.44 179.64 1isj h VAL 84 N 0.50 1.27 -0.66 1.05 2.07 -0.65 -0.04 116.25 119.78 1isj h VAL 84 Ca 0.03 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1isj h VAL 84 Cb 0.98 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1isj h VAL 84 CO 0.09 0.39 0.23 0.78 0.02 0.00 0.00 177.57 179.08 1isj h ASN 85 N 0.68 0.94 -0.37 0.57 -0.26 -1.21 -0.15 115.58 115.78 1isj h ASN 85 Ca 0.12 -0.19 -0.14 0.00 -0.56 0.00 0.00 56.30 55.53 1isj h ASN 85 Cb 0.58 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1isj h ASN 85 CO 0.03 0.88 -0.29 0.28 -1.06 0.00 0.00 177.43 177.27 1isj h SER 86 N 0.94 0.91 -0.07 5.81 0.02 -1.28 -2.30 113.55 117.58 1isj h SER 86 Ca 0.22 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1isj h SER 86 Cb 0.26 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1isj h SER 86 CO -0.01 1.16 -0.00 0.15 -1.14 0.00 0.00 176.83 176.98 1isj h PHE 87 N 0.66 0.13 -0.91 3.45 -0.00 -0.85 -2.91 116.94 116.52 1isj h PHE 87 Ca 0.07 -0.02 0.14 0.00 -0.00 0.00 0.00 57.97 58.16 1isj h PHE 87 Cb 0.87 -0.03 -0.07 0.00 -0.00 0.00 0.00 35.95 36.72 1isj h PHE 87 CO 0.06 0.41 0.58 0.00 -0.00 0.00 0.00 178.31 179.36 1isj h ALA 88 N 0.71 1.80 -5.94 2.41 0.00 -1.05 -3.42 119.26 113.78 1isj h ALA 88 Ca 0.02 0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 1isj h ALA 88 Cb 0.36 -0.13 0.12 0.00 0.00 0.00 0.00 17.79 18.13 1isj h ALA 88 CO 0.00 -0.05 -0.86 -3.47 0.00 0.00 0.00 179.25 174.88 1isj n ASP 89 N -4.57 -5.93 -3.93 0.00 2.03 -0.87 -1.98 116.55 101.30 1isj n ASP 89 Ca 0.18 -0.85 -0.27 0.00 0.52 0.00 0.00 54.79 54.36 1isj n ASP 89 Cb 0.47 -4.04 -0.00 0.00 -0.72 0.00 0.00 41.12 36.82 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 -2.79 -1.92 0.00 1.67 5.15 -1.26 -1.84 115.26 114.27 1isj n ASN 90 Ca -0.09 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1isj n ASN 90 Cb 0.60 -3.41 0.00 0.00 -0.53 0.00 0.00 39.78 36.44 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 -4.43 0.00 -0.12 -0.44 -2.24 -1.20 -4.95 114.28 100.91 1isj n THR 91 Ca -0.17 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.51 1isj n THR 91 Cb 0.62 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 2.78 0.57 0.01 -0.78 3.08 -1.12 -3.38 114.38 115.53 1isj h ARG 92 Ca 0.00 -0.14 -0.37 0.00 0.07 0.00 0.00 59.98 59.53 1isj h ARG 92 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1isj h ARG 92 CO 0.00 0.63 -2.06 0.54 -1.07 0.00 0.00 179.97 178.01 1isj n ARG 93 N -4.60 0.60 -4.10 0.04 1.74 -0.84 -5.05 116.66 104.46 1isj n ARG 93 Ca -0.01 0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 57.32 1isj n ARG 93 Cb 0.21 -1.60 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.46 0.77 -0.67 -1.55 0.40 -1.25 -4.99 117.98 108.23 1isj s PHE 94 Ca -0.34 -1.07 0.05 0.00 -0.60 0.00 0.00 56.93 54.97 1isj s PHE 94 Cb 0.11 -0.25 0.18 0.00 0.51 0.00 0.00 43.02 43.57 1isj s PHE 94 CO 0.55 -0.75 0.51 -0.12 0.70 0.00 0.00 175.22 176.11 1isj n MET 95 N -0.28 1.74 -1.05 0.44 1.56 0.31 -3.88 117.12 115.97 1isj n MET 95 Ca -0.01 -4.38 -0.30 0.00 -0.27 0.00 0.00 57.70 52.74 1isj n MET 95 Cb 0.64 -2.22 0.23 0.00 2.15 0.00 0.00 33.22 34.02 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 -1.43 -0.91 0.39 2.12 0.04 -1.26 -4.17 135.00 129.77 1isj s PRO 96 Ca 0.27 0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.51 1isj s PRO 96 Cb -0.01 -1.62 0.86 0.00 0.04 0.00 0.00 34.50 33.77 1isj s PRO 96 CO -0.16 -3.54 1.96 1.25 0.04 0.00 0.00 177.00 176.55 1isj h LEU 97 N -2.46 0.54 -0.06 -3.56 5.85 -1.95 0.65 115.31 114.32 1isj h LEU 97 Ca -0.48 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1isj h LEU 97 Cb 1.31 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1isj h LEU 97 CO 0.40 0.34 0.00 -1.54 -0.34 0.00 0.00 178.44 177.30 1isj n SER 98 N -4.48 0.06 -1.04 1.25 3.41 -1.26 -2.23 113.62 109.33 1isj n SER 98 Ca 0.11 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1isj n SER 98 Cb 0.30 -0.53 0.22 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.57 2.93 -4.30 4.04 8.00 0.21 -3.37 116.55 122.49 1isj n ASP 99 Ca 0.04 -3.50 -0.29 0.00 0.71 0.00 0.00 54.79 51.74 1isj n ASP 99 Cb 0.20 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.55 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 -3.10 1.96 0.18 2.53 1.01 -0.95 -4.76 120.40 117.28 1isj s VAL 100 Ca 0.43 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1isj s VAL 100 Cb 0.38 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 35.15 1isj s VAL 100 CO 0.03 0.41 1.55 0.25 0.00 0.00 0.00 175.10 177.34 1isj h LEU 101 N 5.12 -1.75 -2.03 3.92 5.85 -1.86 0.22 115.31 124.78 1isj h LEU 101 Ca -0.44 0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1isj h LEU 101 Cb 1.14 0.81 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1isj h LEU 101 CO 0.45 -0.29 0.00 0.10 -0.34 0.00 0.00 178.44 178.36 1isj h TYR 102 N -0.09 0.00 0.11 1.25 -0.00 -1.88 -2.76 116.97 113.60 1isj h TYR 102 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 58.73 58.58 1isj h TYR 102 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 1isj h TYR 102 CO -0.88 0.00 -2.01 0.41 -0.00 0.00 0.00 178.16 175.68 1isj n GLY 103 N -0.45 -0.57 0.32 0.10 0.00 -0.26 -4.32 105.19 99.99 1isj n GLY 103 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 0.06 0.83 0.00 1.61 9.65 -0.35 -1.86 114.38 124.33 1isj h ARG 104 Ca -0.43 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1isj h ARG 104 Cb 2.03 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 30.42 1isj h ARG 104 CO 0.08 0.55 0.00 -0.39 2.80 0.00 0.00 179.97 183.01 1isj h VAL 105 N 0.86 0.00 0.00 0.20 -1.51 -1.71 -3.20 116.25 110.89 1isj h VAL 105 Ca 0.40 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1isj h VAL 105 Cb 0.33 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1isj h VAL 105 CO -0.23 0.00 -0.38 0.00 -1.23 0.00 0.00 177.57 175.72 1isj n ALA 106 N -2.00 3.02 -1.67 5.19 0.00 -0.90 -4.59 120.51 119.56 1isj n ALA 106 Ca 0.00 -0.22 -0.59 0.00 0.00 0.00 0.00 53.44 52.63 1isj n ALA 106 Cb 0.24 -0.29 -0.08 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 -1.19 1.73 0.00 0.00 4.64 -0.75 -0.78 116.55 120.20 1isj n ASP 107 Ca 0.01 1.12 0.00 0.00 -1.38 0.00 0.00 54.79 54.54 1isj n ASP 107 Cb 0.12 -1.08 0.00 0.00 -1.04 0.00 0.00 41.12 39.13 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 4.05 0.00 -1.72 -0.67 3.01 -1.26 -4.98 117.46 115.89 1isj n PHE 108 Ca 0.25 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.42 1isj n PHE 108 Cb 0.10 -0.59 0.11 0.00 -0.01 0.00 0.00 39.48 39.09 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 2.26 0.00 4.37 1.43 0.04 -5.05 118.68 121.73 1isj s LEU 109 Ca 0.00 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1isj s LEU 109 Cb 0.00 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 1isj s LEU 109 CO 0.00 -2.25 0.02 -0.55 0.23 0.00 0.00 176.35 173.81 1isj s SER 110 N -4.32 0.09 -0.00 2.29 0.15 -1.26 -4.96 113.70 105.68 1isj s SER 110 Ca 0.63 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.79 1isj s SER 110 Cb -0.13 0.10 0.08 0.00 -1.71 0.00 0.00 66.02 64.36 1isj s SER 110 CO 0.51 -0.18 0.70 -1.66 1.20 0.00 0.00 173.24 173.81 1isj s TRP 111 N -0.80 -0.59 0.00 3.44 -2.14 -1.26 -0.14 118.94 117.46 1isj s TRP 111 Ca -0.09 0.83 0.00 0.00 2.66 0.00 0.00 56.10 59.51 1isj s TRP 111 Cb -0.05 0.46 0.00 0.00 -3.10 0.00 0.00 33.47 30.77 1isj s TRP 111 CO -0.00 -0.65 0.00 0.00 -2.66 0.00 0.00 176.95 173.64 1isj s ARG 113 N -2.00 3.57 0.54 0.00 3.00 -1.26 -1.12 118.95 121.68 1isj s ARG 113 Ca 0.00 -0.10 -0.22 0.00 -1.00 0.00 0.00 55.73 54.42 1isj s ARG 113 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 34.95 32.27 1isj s ARG 113 CO 0.00 0.15 1.33 -0.65 0.00 0.00 0.00 175.30 176.12 1isj s GLN 114 N -3.94 3.19 0.21 5.12 -0.21 0.56 -4.42 119.66 120.17 1isj s GLN 114 Ca 0.43 2.16 -0.12 0.00 0.02 0.00 0.00 55.36 57.85 1isj s GLN 114 Cb -0.10 -2.25 0.28 0.00 1.00 0.00 0.00 33.01 31.93 1isj s GLN 114 CO 0.34 -1.12 1.65 -0.22 -2.12 0.00 0.00 175.29 173.81 1isj h LYS 115 N 1.48 0.07 0.00 2.91 1.63 -1.96 -3.39 116.57 117.31 1isj h LYS 115 Ca -0.51 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1isj h LYS 115 Cb 1.29 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1isj h LYS 115 CO 0.57 0.05 0.00 0.00 -3.45 0.00 0.00 179.45 176.62 1isj n ALA 116 N -2.88 0.44 -0.76 5.00 0.00 -1.26 -4.84 120.51 116.20 1isj n ALA 116 Ca 0.08 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1isj n ALA 116 Cb 0.35 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.93 1isj n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1isj n ASP 117 N -1.83 -2.59 -0.69 0.00 -0.08 -1.26 -4.91 116.55 105.20 1isj n ASP 117 Ca 0.00 0.02 0.08 0.00 -1.51 0.00 0.00 54.79 53.38 1isj n ASP 117 Cb 0.00 -0.95 0.26 0.00 2.34 0.00 0.00 41.12 42.76 1isj n ASP 117 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1isj n SER 118 N -0.70 2.02 -4.92 1.67 3.41 -1.26 -4.02 113.62 109.82 1isj n SER 118 Ca 0.02 -1.88 -0.27 0.00 -0.26 0.00 0.00 58.87 56.48 1isj n SER 118 Cb 0.61 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1isj n SER 118 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1isj s GLY 119 N -1.25 1.55 0.41 5.00 0.00 -1.26 -4.85 107.32 106.92 1isj s GLY 119 Ca 0.30 -0.64 -0.25 0.00 0.00 0.00 0.00 44.72 44.13 1isj s GLY 119 CO 0.22 -0.53 1.16 1.08 0.00 0.00 0.00 173.10 175.03 1isj s LEU 120 N -4.27 4.14 -0.73 0.66 1.43 -1.26 -0.33 118.68 118.32 1isj s LEU 120 Ca 0.44 2.31 -0.20 0.00 -1.03 0.00 0.00 54.13 55.65 1isj s LEU 120 Cb -0.10 -4.09 0.10 0.00 0.03 0.00 0.00 46.19 42.13 1isj s LEU 120 CO 0.38 -0.72 0.95 -0.62 0.23 0.00 0.00 176.35 176.57 1isj s ASP 121 N -1.23 6.33 0.00 2.29 -1.08 -0.28 -4.63 116.67 118.07 1isj s ASP 121 Ca 0.59 -1.46 0.31 0.00 -0.52 0.00 0.00 52.55 51.47 1isj s ASP 121 Cb -0.29 -2.38 1.68 0.00 -1.46 0.00 0.00 42.92 40.46 1isj s ASP 121 CO 0.37 -1.23 2.11 -1.22 0.52 0.00 0.00 175.17 175.71 1isj n TYR 122 N 6.95 0.00 -0.09 -5.34 4.02 -1.26 -1.76 117.16 119.68 1isj n TYR 122 Ca 0.04 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.75 1isj n TYR 122 Cb 0.46 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.59 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 0.30 0.00 -2.81 -0.72 4.15 -1.90 -3.40 115.11 110.72 1isj h GLN 123 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1isj h GLN 123 Cb 0.14 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.76 1isj h GLN 123 CO 0.00 0.94 0.30 -1.54 -1.93 0.00 0.00 178.83 176.59 1isj s SER 124 N -6.59 -0.31 0.01 -0.69 1.04 -1.25 -3.51 113.70 102.39 1isj s SER 124 Ca -0.25 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 1isj s SER 124 Cb 0.03 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 1isj s SER 124 CO 0.59 -1.13 0.01 0.00 0.98 0.00 0.00 173.24 173.70 1isj s PRO 126 N -0.98 2.78 0.40 0.00 0.04 -1.26 -0.89 135.00 135.09 1isj s PRO 126 Ca -0.11 1.82 0.05 0.00 0.04 0.00 0.00 61.00 62.81 1isj s PRO 126 Cb -0.07 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.62 1isj s PRO 126 CO -0.00 -1.36 0.44 0.25 0.04 0.00 0.00 177.00 176.36 1isj n THR 127 N -1.86 0.00 0.26 1.26 -2.24 -1.26 -4.66 114.28 105.78 1isj n THR 127 Ca 0.14 -1.46 0.11 0.00 -2.27 0.00 0.00 64.05 60.57 1isj n THR 127 Cb 0.50 -0.42 0.72 0.00 -2.10 0.00 0.00 70.33 69.03 1isj n THR 127 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1isj h SER 128 N 0.26 0.00 -0.09 3.42 0.87 -1.90 -2.46 113.55 113.66 1isj h SER 128 Ca -0.22 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1isj h SER 128 Cb 0.90 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1isj h SER 128 CO 0.33 0.09 -0.16 -0.33 -0.53 0.00 0.00 176.83 176.23 1isj h GLU 129 N 0.00 0.27 -0.31 2.24 4.39 -1.96 -3.23 114.58 115.98 1isj h GLU 129 Ca -0.00 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.56 1isj h GLU 129 Cb 0.21 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1isj h GLU 129 CO 0.01 0.75 0.14 -0.44 -1.16 0.00 0.00 179.01 178.32 1isj h ASP 130 N -0.19 0.20 -2.99 1.42 3.32 -1.84 -3.45 116.42 112.89 1isj h ASP 130 Ca 0.00 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.16 1isj h ASP 130 Cb 0.74 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.00 1isj h ASP 130 CO 0.04 0.15 0.50 0.00 -1.72 0.00 0.00 179.24 178.21 1isj h GLU 132 N 4.30 -0.57 -3.52 0.00 4.81 -1.80 -3.34 114.58 114.46 1isj h GLU 132 Ca -0.28 0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.32 1isj h GLU 132 Cb 1.18 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 1isj h GLU 132 CO 0.13 -0.38 3.42 0.09 -0.73 0.00 0.00 179.01 181.54 1isj n ASN 133 N -5.34 6.18 -4.94 1.04 3.02 -1.26 -4.75 115.26 109.20 1isj n ASN 133 Ca -0.11 -2.68 -0.24 0.00 -0.03 0.00 0.00 54.58 51.51 1isj n ASN 133 Cb 0.25 -1.56 -0.02 0.00 -0.61 0.00 0.00 39.78 37.84 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 2.80 6.33 0.20 6.41 4.22 -1.25 -2.07 114.94 131.58 1isj s ASN 134 Ca 0.58 0.37 -0.11 0.00 -2.14 0.00 0.00 52.86 51.56 1isj s ASN 134 Cb 0.16 -2.00 0.24 0.00 1.28 0.00 0.00 41.25 40.93 1isj s ASN 134 CO -0.06 -0.18 1.70 -0.65 -2.04 0.00 0.00 177.10 175.87 1isj h PRO 135 N 1.19 0.22 -0.14 3.55 0.11 -1.83 -2.20 132.00 132.90 1isj h PRO 135 Ca -0.50 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1isj h PRO 135 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1isj h PRO 135 CO 0.63 0.15 -0.05 0.28 -0.21 0.00 0.00 178.00 178.80 1isj h VAL 136 N 0.23 1.30 -0.33 3.15 2.07 -1.93 -2.07 116.25 118.67 1isj h VAL 136 Ca 0.28 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1isj h VAL 136 Cb 0.41 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1isj h VAL 136 CO -0.38 0.30 -0.19 0.44 0.02 0.00 0.00 177.57 177.76 1isj h ASP 137 N -0.04 0.60 -0.01 0.57 3.32 -1.89 -2.20 116.42 116.79 1isj h ASP 137 Ca 0.03 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 1isj h ASP 137 Cb 0.49 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1isj h ASP 137 CO 0.02 0.80 -0.38 0.28 -1.72 0.00 0.00 179.24 178.23 1isj h SER 138 N 0.54 0.53 0.29 6.45 0.02 -1.41 -2.12 113.55 117.85 1isj h SER 138 Ca 0.09 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1isj h SER 138 Cb 0.63 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1isj h SER 138 CO 0.04 0.87 -0.14 0.15 -1.14 0.00 0.00 176.83 176.62 1isj h PHE 139 N 0.42 -0.36 0.00 3.45 3.57 -1.05 -2.10 116.94 120.88 1isj h PHE 139 Ca 0.04 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1isj h PHE 139 Cb 0.86 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1isj h PHE 139 CO 0.03 -0.18 -0.24 -1.49 -2.23 0.00 0.00 178.31 174.20 1isj h TRP 140 N -0.44 0.00 -0.01 0.41 4.06 -1.36 -0.00 115.95 118.62 1isj h TRP 140 Ca -0.04 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 1isj h TRP 140 Cb 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1isj h TRP 140 CO -0.04 0.24 -0.00 0.87 -3.56 0.00 0.00 178.44 175.94 1isj h LYS 141 N 0.00 0.01 -0.40 0.49 1.57 -1.23 0.36 116.57 117.37 1isj h LYS 141 Ca -0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1isj h LYS 141 Cb 0.53 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1isj h LYS 141 CO 0.03 0.43 0.26 -0.09 -0.57 0.00 0.00 179.45 179.52 1isj h ARG 142 N -0.41 0.52 -0.61 3.15 9.65 -1.04 -1.31 114.38 124.32 1isj h ARG 142 Ca 0.00 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.77 1isj h ARG 142 Cb 0.43 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1isj h ARG 142 CO 0.00 0.34 0.06 0.00 2.80 0.00 0.00 179.97 183.18 1isj h ALA 143 N 1.15 0.95 -0.38 2.80 0.00 -1.01 -2.41 119.26 120.37 1isj h ALA 143 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1isj h ALA 143 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1isj h ALA 143 CO -0.04 0.65 0.15 0.77 0.00 0.00 0.00 179.25 180.78 1isj h SER 144 N 0.95 0.52 -0.18 0.00 0.02 -0.63 -0.71 113.55 113.53 1isj h SER 144 Ca 0.18 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1isj h SER 144 Cb 0.46 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1isj h SER 144 CO 0.02 0.55 -0.08 0.40 -1.14 0.00 0.00 176.83 176.58 1isj h ILE 145 N 0.46 0.75 -0.39 3.27 2.04 -1.07 -0.69 117.51 121.88 1isj h ILE 145 Ca 0.13 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 1isj h ILE 145 Cb 0.19 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1isj h ILE 145 CO -0.01 0.00 0.12 -0.61 0.00 0.00 0.00 178.15 177.65 1isj h GLN 146 N -0.05 0.61 -0.68 2.37 5.75 -1.27 -1.30 115.11 120.55 1isj h GLN 146 Ca 0.10 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1isj h GLN 146 Cb 0.19 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 1isj h GLN 146 CO -0.22 0.61 0.39 -0.92 -2.65 0.00 0.00 178.83 176.05 1isj h TYR 147 N 0.49 0.72 -0.34 3.99 3.20 -0.90 -1.42 116.97 122.71 1isj h TYR 147 Ca 0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1isj h TYR 147 Cb 0.26 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1isj h TYR 147 CO 0.01 0.36 0.06 1.03 -1.64 0.00 0.00 178.16 177.98 1isj h SER 148 N 0.73 0.53 0.31 -2.11 0.87 -0.88 -2.84 113.55 110.15 1isj h SER 148 Ca 0.30 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1isj h SER 148 Cb 0.16 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1isj h SER 148 CO -0.17 0.64 -0.20 0.11 -0.53 0.00 0.00 176.83 176.69 1isj h LYS 149 N 0.39 0.00 -0.23 2.24 1.57 -0.87 -2.94 116.57 116.72 1isj h LYS 149 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1isj h LYS 149 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1isj h LYS 149 CO 0.00 0.20 0.00 -0.25 -0.57 0.00 0.00 179.45 178.83 1isj n ASP 150 N -3.98 2.45 -4.87 0.86 8.00 -0.57 -4.79 116.55 113.65 1isj n ASP 150 Ca -0.02 -1.83 -0.31 0.00 0.71 0.00 0.00 54.79 53.33 1isj n ASP 150 Cb 0.28 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.60 6.64 0.23 -2.24 0.01 -1.09 -4.36 113.70 111.30 1isj s SER 151 Ca 0.35 1.14 -0.18 0.00 1.31 0.00 0.00 55.95 58.57 1isj s SER 151 Cb 0.20 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 64.13 1isj s SER 151 CO 0.29 -0.26 0.58 -0.94 0.41 0.00 0.00 173.24 173.32 1isj s SER 152 N -2.67 -0.23 0.10 2.44 1.04 -1.26 -4.74 113.70 108.37 1isj s SER 152 Ca 0.52 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1isj s SER 152 Cb -0.10 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1isj s SER 152 CO 0.24 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1isj n GLY 153 N -0.39 0.56 3.68 7.32 0.00 -0.03 -0.98 105.19 115.35 1isj n GLY 153 Ca -0.06 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.16 1.61 1.01 -1.26 -1.46 120.40 124.91 1isj s VAL 154 Ca 0.00 2.00 -0.15 0.00 0.00 0.00 0.00 61.98 63.84 1isj s VAL 154 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1isj s VAL 154 CO 0.00 -0.04 0.32 -0.63 0.00 0.00 0.00 175.10 174.76 1isj s ILE 155 N 2.30 5.29 0.08 2.22 -1.09 -0.19 -4.22 121.20 125.58 1isj s ILE 155 Ca 0.46 0.61 0.05 0.00 -2.23 0.00 0.00 60.65 59.55 1isj s ILE 155 Cb -0.17 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1isj s ILE 155 CO 0.15 0.38 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.18 1isj s HIS 156 N 0.51 2.87 -0.04 3.97 3.76 -1.07 -0.30 115.29 124.99 1isj s HIS 156 Ca 0.18 -0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 55.00 1isj s HIS 156 Cb -0.13 -1.52 0.03 0.00 1.11 0.00 0.00 32.58 32.07 1isj s HIS 156 CO 0.05 0.44 0.07 0.08 -0.85 0.00 0.00 174.74 174.52 1isj s VAL 157 N -1.20 -0.11 -0.28 -0.90 1.01 -0.40 -0.59 120.40 117.93 1isj s VAL 157 Ca 0.22 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 1isj s VAL 157 Cb -0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1isj s VAL 157 CO 0.14 0.15 0.17 -0.32 0.00 0.00 0.00 175.10 175.25 1isj s MET 158 N 1.89 3.92 0.11 2.72 1.75 0.05 0.08 119.30 129.81 1isj s MET 158 Ca 0.01 -0.34 0.10 0.00 -1.25 0.00 0.00 55.69 54.21 1isj s MET 158 Cb -0.12 -3.62 -0.04 0.00 2.84 0.00 0.00 34.83 33.89 1isj s MET 158 CO -0.03 -0.18 -0.22 -0.51 -0.65 0.00 0.00 175.02 173.43 1isj s LEU 159 N 1.73 2.51 -0.51 4.11 1.43 -0.20 -2.14 118.68 125.62 1isj s LEU 159 Ca 0.07 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.34 1isj s LEU 159 Cb -0.16 -1.40 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1isj s LEU 159 CO 0.10 0.19 0.68 0.21 0.23 0.00 0.00 176.35 177.76 1isj s ASN 160 N -2.01 6.25 0.00 2.29 3.84 -1.22 -0.80 114.94 123.29 1isj s ASN 160 Ca 0.16 -0.77 0.16 0.00 0.21 0.00 0.00 52.86 52.61 1isj s ASN 160 Cb -0.10 -2.32 0.93 0.00 -0.55 0.00 0.00 41.25 39.21 1isj s ASN 160 CO 0.08 -0.94 1.59 0.61 -2.79 0.00 0.00 177.10 175.65 1isj n GLY 161 N 5.15 -0.99 0.74 1.21 0.00 0.21 -2.86 105.19 108.65 1isj n GLY 161 Ca -0.05 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.74 2.78 -4.69 1.61 7.64 -1.25 -1.93 113.62 117.05 1isj n SER 162 Ca 0.12 -1.83 -0.42 0.00 1.01 0.00 0.00 58.87 57.75 1isj n SER 162 Cb 0.05 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.11 4.29 0.20 1.43 2.56 -1.13 -4.81 118.70 120.14 1isj s GLU 163 Ca 0.25 1.91 -0.11 0.00 0.00 0.00 0.00 54.97 57.01 1isj s GLU 163 Cb 0.14 -3.57 0.26 0.00 2.00 0.00 0.00 34.13 32.96 1isj s GLU 163 CO 0.20 -0.55 1.69 -1.35 -0.56 0.00 0.00 175.26 174.68 1isj h PRO 164 N 7.77 0.17 0.00 4.30 0.11 -1.93 -0.68 132.00 141.75 1isj h PRO 164 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1isj h PRO 164 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1isj h PRO 164 CO 0.90 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 179.05 1isj n THR 165 N -5.20 0.03 0.00 -1.15 -2.24 -1.26 -4.98 114.28 99.48 1isj n THR 165 Ca 0.08 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1isj n THR 165 Cb 0.31 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.72 2.93 0.30 3.38 0.00 -0.26 -4.90 105.19 107.36 1isj n GLY 166 Ca 0.19 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.34 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 0.93 -2.76 4.61 0.00 -1.78 -3.40 119.26 116.86 1isj h ALA 167 Ca 0.00 -0.12 -0.72 0.00 0.00 0.00 0.00 54.91 54.07 1isj h ALA 167 Cb 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 17.79 17.22 1isj h ALA 167 CO 0.00 0.46 -0.45 -0.47 0.00 0.00 0.00 179.25 178.79 1isj s TYR 168 N -5.80 3.37 -0.30 0.00 5.04 -1.26 -4.44 117.35 113.95 1isj s TYR 168 Ca -0.13 -1.64 -0.29 0.00 -2.44 0.00 0.00 57.07 52.57 1isj s TYR 168 Cb 0.15 -3.09 -0.00 0.00 0.35 0.00 0.00 41.96 39.36 1isj s TYR 168 CO 0.80 -0.89 1.38 -2.14 -1.34 0.00 0.00 175.55 173.36 1isj s PRO 169 N 1.40 3.84 0.00 4.97 0.02 -1.26 -4.86 135.00 139.11 1isj s PRO 169 Ca 0.04 1.29 0.18 0.00 0.02 0.00 0.00 61.00 62.53 1isj s PRO 169 Cb -0.24 -3.93 0.99 0.00 0.02 0.00 0.00 34.50 31.34 1isj s PRO 169 CO 0.01 -1.22 1.51 0.44 -0.33 0.00 0.00 177.00 177.41 1isj n ILE 170 N 6.37 0.24 -0.33 2.83 -5.35 -1.26 -2.56 119.36 119.29 1isj n ILE 170 Ca 0.16 0.06 0.02 0.00 -0.27 0.00 0.00 62.75 62.72 1isj n ILE 170 Cb 0.46 -0.77 0.03 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.14 2.40 -2.22 6.28 4.76 -1.26 -4.73 118.16 122.25 1isj n LYS 171 Ca 0.11 -1.70 -0.27 0.00 -2.87 0.00 0.00 58.31 53.58 1isj n LYS 171 Cb 0.10 -1.09 0.16 0.00 -1.84 0.00 0.00 35.03 32.37 1isj n LYS 171 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1isj s GLY 172 N -1.40 1.78 0.43 0.72 0.00 -1.06 -4.83 107.32 102.97 1isj s GLY 172 Ca 0.08 -1.50 0.11 0.00 0.00 0.00 0.00 44.72 43.41 1isj s GLY 172 CO 0.01 -0.78 2.02 0.74 0.00 0.00 0.00 173.10 175.08 1isj h PHE 173 N -1.23 0.25 -0.12 1.90 -1.00 -1.95 -0.89 116.94 113.90 1isj h PHE 173 Ca -0.40 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.35 1isj h PHE 173 Cb 1.24 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 40.72 1isj h PHE 173 CO -0.87 0.26 0.03 0.35 -1.61 0.00 0.00 178.31 176.47 1isj h PHE 174 N 0.25 0.20 -0.18 -0.55 3.57 -1.91 0.15 116.94 118.46 1isj h PHE 174 Ca 0.06 -0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.33 1isj h PHE 174 Cb 0.16 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.86 1isj h PHE 174 CO 0.00 0.35 -0.70 0.00 -2.23 0.00 0.00 178.31 175.74 1isj h ALA 175 N 0.82 0.33 0.00 2.41 0.00 -1.75 0.04 119.26 121.11 1isj h ALA 175 Ca 0.04 -0.57 -0.27 0.00 0.00 0.00 0.00 54.91 54.11 1isj h ALA 175 Cb 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1isj h ALA 175 CO 0.00 0.64 -1.47 -0.44 0.00 0.00 0.00 179.25 177.99 1isj h ASP 176 N 0.52 0.02 0.00 0.00 3.32 -1.20 -3.41 116.42 115.67 1isj h ASP 176 Ca -0.04 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1isj h ASP 176 Cb 1.32 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1isj h ASP 176 CO 0.15 1.02 -0.49 -1.22 -1.72 0.00 0.00 179.24 176.98 1isj n TYR 177 N -3.16 0.00 -0.11 4.55 4.02 0.45 -4.79 117.16 118.12 1isj n TYR 177 Ca -0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.57 1isj n TYR 177 Cb 1.01 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.26 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 -1.14 0.49 -0.24 -0.72 1.02 -0.81 -4.22 120.64 115.02 1isj n GLU 178 Ca 0.00 0.21 0.03 0.00 -0.02 0.00 0.00 57.16 57.38 1isj n GLU 178 Cb 0.00 -1.33 0.15 0.00 -0.02 0.00 0.00 31.44 30.24 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 -0.85 0.73 0.00 -3.67 2.04 -1.22 -0.51 117.51 114.03 1isj h ILE 179 Ca -0.46 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1isj h ILE 179 Cb 1.36 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1isj h ILE 179 CO -0.28 0.09 0.00 -0.65 0.00 0.00 0.00 178.15 177.31 1isj h PRO 180 N 0.47 0.00 -0.45 2.37 0.11 -1.81 -2.74 132.00 129.95 1isj h PRO 180 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1isj h PRO 180 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 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 -2.84 3.26 -4.75 -2.05 3.02 -0.24 -4.97 115.26 106.70 1isj n ASN 181 Ca -0.00 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 1isj n ASN 181 Cb 0.20 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.09 4.54 -0.57 3.41 1.43 -0.97 -3.35 118.68 122.08 1isj s LEU 182 Ca 0.33 2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 55.40 1isj s LEU 182 Cb 0.18 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.90 1isj s LEU 182 CO 0.24 -0.14 0.62 -1.10 0.23 0.00 0.00 176.35 176.21 1isj s GLN 183 N -0.90 3.02 0.42 1.70 -1.52 -1.26 -4.92 119.66 116.20 1isj s GLN 183 Ca 0.46 -1.45 0.12 0.00 -1.95 0.00 0.00 55.36 52.54 1isj s GLN 183 Cb -0.30 -4.27 0.99 0.00 -0.22 0.00 0.00 33.01 29.20 1isj s GLN 183 CO 0.37 -1.45 1.98 -0.22 -0.25 0.00 0.00 175.29 175.72 1isj h LYS 184 N 9.07 0.44 -0.66 2.91 3.64 -1.94 -1.82 116.57 128.21 1isj h LYS 184 Ca -0.30 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.19 1isj h LYS 184 Cb 1.09 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1isj h LYS 184 CO 1.07 0.29 0.45 1.05 -2.27 0.00 0.00 179.45 180.04 1isj h GLU 185 N 0.46 0.35 -0.23 1.90 4.11 -2.01 -2.20 114.58 116.96 1isj h GLU 185 Ca 0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1isj h GLU 185 Cb 0.48 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1isj h GLU 185 CO -0.08 0.23 0.00 0.36 0.07 0.00 0.00 179.01 179.59 1isj n LYS 186 N -4.46 2.69 -4.72 1.06 2.85 -0.71 -4.97 118.16 109.90 1isj n LYS 186 Ca 0.12 -2.53 -0.33 0.00 -1.05 0.00 0.00 58.31 54.51 1isj n LYS 186 Cb 0.48 -1.61 -0.12 0.00 -0.65 0.00 0.00 35.03 33.13 1isj n LYS 186 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1isj s ILE 187 N -2.29 3.42 -0.19 0.58 1.01 -0.83 -0.85 121.20 122.05 1isj s ILE 187 Ca 0.34 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1isj s ILE 187 Cb 0.26 -2.39 -0.21 0.00 0.01 0.00 0.00 42.46 40.13 1isj s ILE 187 CO 0.09 0.58 0.06 0.35 0.00 0.00 0.00 174.94 176.02 1isj n THR 188 N 2.51 1.57 -3.62 2.92 -2.24 -0.53 -4.87 114.28 110.02 1isj n THR 188 Ca -0.18 -0.65 -0.04 0.00 -2.27 0.00 0.00 64.05 60.91 1isj n THR 188 Cb 0.53 -1.36 -0.01 0.00 -2.10 0.00 0.00 70.33 67.38 1isj n THR 188 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1isj s ARG 189 N -2.53 0.73 -0.09 -0.78 1.70 -1.24 -4.54 118.95 112.19 1isj s ARG 189 Ca -0.26 -0.35 0.04 0.00 -0.47 0.00 0.00 55.73 54.69 1isj s ARG 189 Cb 0.08 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 1isj s ARG 189 CO 0.70 -0.33 -0.22 0.42 -1.08 0.00 0.00 175.30 174.78 1isj s ILE 190 N -2.88 1.93 -0.14 4.99 1.01 -0.62 -1.02 121.20 124.48 1isj s ILE 190 Ca 0.10 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1isj s ILE 190 Cb 0.00 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1isj s ILE 190 CO -0.04 0.53 -0.19 -0.70 0.00 0.00 0.00 174.94 174.55 1isj s GLU 191 N 0.38 2.68 -0.05 2.79 2.12 0.59 -2.15 118.70 125.06 1isj s GLU 191 Ca -0.18 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.40 1isj s GLU 191 Cb -0.18 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.93 1isj s GLU 191 CO 0.08 -0.09 0.09 0.42 -0.54 0.00 0.00 175.26 175.22 1isj s ILE 192 N 1.03 4.87 -0.28 -3.70 -1.09 -0.54 -1.27 121.20 120.22 1isj s ILE 192 Ca -0.04 -0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1isj s ILE 192 Cb -0.15 -3.17 0.07 0.00 -1.58 0.00 0.00 42.46 37.63 1isj s ILE 192 CO -0.05 0.46 -0.07 0.26 -1.23 0.00 0.00 174.94 174.31 1isj s TRP 193 N -1.10 3.35 -0.53 3.97 0.51 0.11 -0.49 118.94 124.76 1isj s TRP 193 Ca 0.20 -2.46 -0.20 0.00 -2.12 0.00 0.00 56.10 51.51 1isj s TRP 193 Cb -0.12 -2.14 0.06 0.00 -0.81 0.00 0.00 33.47 30.46 1isj s TRP 193 CO 0.10 -0.89 0.72 0.08 -0.51 0.00 0.00 176.95 176.45 1isj s VAL 194 N 1.07 4.73 -0.09 4.03 1.01 -0.04 -1.03 120.40 130.07 1isj s VAL 194 Ca -0.05 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1isj s VAL 194 Cb -0.20 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 1isj s VAL 194 CO -0.06 -0.94 0.27 -0.04 0.00 0.00 0.00 175.10 174.33 1isj s MET 195 N 3.00 3.84 0.09 2.72 -1.94 0.02 -0.34 119.30 126.68 1isj s MET 195 Ca 0.18 0.11 0.08 0.00 -1.71 0.00 0.00 55.69 54.35 1isj s MET 195 Cb -0.18 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 1isj s MET 195 CO 0.13 0.59 -0.16 -1.01 -0.01 0.00 0.00 175.02 174.56 1isj s HIS 196 N -0.61 2.60 0.54 -0.03 3.76 -1.26 0.67 115.29 120.96 1isj s HIS 196 Ca 0.18 -0.23 -0.21 0.00 -0.15 0.00 0.00 55.06 54.65 1isj s HIS 196 Cb -0.14 -1.41 -0.05 0.00 1.11 0.00 0.00 32.58 32.10 1isj s HIS 196 CO 0.07 0.36 1.25 -1.21 -0.85 0.00 0.00 174.74 174.36 1isj s GLU 197 N -1.94 3.23 0.11 1.40 0.41 -1.26 -4.89 118.70 115.76 1isj s GLU 197 Ca 0.18 1.97 -0.32 0.00 -0.41 0.00 0.00 54.97 56.39 1isj s GLU 197 Cb -0.11 -2.17 -0.11 0.00 -1.78 0.00 0.00 34.13 29.96 1isj s GLU 197 CO 0.10 -1.04 1.82 -0.89 -0.49 0.00 0.00 175.26 174.76 1isj n ILE 198 N -1.10 0.34 0.00 -1.63 2.08 -1.26 -0.96 119.36 116.84 1isj n ILE 198 Ca 0.11 -0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.36 1isj n ILE 198 Cb 0.47 -2.05 0.00 0.00 -0.75 0.00 0.00 39.64 37.31 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 4.17 0.93 3.09 7.39 0.00 -1.26 -4.91 105.19 114.61 1isj n GLY 199 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -3.41 3.76 -0.02 0.00 -0.13 -4.89 105.19 100.50 1isj n GLY 200 Ca 0.00 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.42 3.68 -1.12 1.61 0.04 -1.26 -4.64 135.00 130.89 1isj s PRO 201 Ca 0.43 2.07 -0.05 0.00 0.04 0.00 0.00 61.00 63.49 1isj s PRO 201 Cb -0.07 -2.52 0.28 0.00 0.04 0.00 0.00 34.50 32.23 1isj s PRO 201 CO 0.72 -0.70 1.58 -1.71 0.04 0.00 0.00 177.00 176.93 1isj n ASN 202 N -0.36 6.15 0.05 6.66 4.05 -1.26 -4.23 115.26 126.32 1isj n ASN 202 Ca 0.06 -3.35 -0.12 0.00 0.45 0.00 0.00 54.58 51.62 1isj n ASN 202 Cb 0.45 -1.32 -0.07 0.00 1.23 0.00 0.00 39.78 40.08 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 3.48 0.94 -3.54 3.44 2.07 -1.72 -3.44 116.25 117.48 1isj h VAL 203 Ca 0.24 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.58 1isj h VAL 203 Cb 0.61 0.94 -0.25 0.00 -1.52 0.00 0.00 31.29 31.08 1isj h VAL 203 CO 1.40 0.00 -0.58 -1.61 0.02 0.00 0.00 177.57 176.80 1isj s GLU 204 N -6.18 0.23 0.36 1.57 2.02 -0.81 -5.01 118.70 110.86 1isj s GLU 204 Ca -0.13 -0.06 0.04 0.00 0.02 0.00 0.00 54.97 54.83 1isj s GLU 204 Cb 0.06 0.10 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 1isj s GLU 204 CO 0.66 -0.04 0.08 -1.12 0.02 0.00 0.00 175.26 174.85 1isj s SER 205 N -0.44 2.56 0.25 -0.19 0.01 -1.26 -4.56 113.70 110.07 1isj s SER 205 Ca -0.05 -1.47 -0.28 0.00 1.31 0.00 0.00 55.95 55.45 1isj s SER 205 Cb -0.03 0.11 -0.15 0.00 0.21 0.00 0.00 66.02 66.15 1isj s SER 205 CO 0.00 -0.71 0.80 0.00 0.41 0.00 0.00 173.24 173.75 1isj n GLY 207 N 1.56 0.33 3.36 0.00 0.00 -1.26 -5.02 105.19 104.16 1isj n GLY 207 Ca 0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.93 1.83 3.16 1.61 2.02 -0.58 -4.62 118.70 121.20 1isj s GLU 208 Ca 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 53.89 1isj s GLU 208 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1isj s GLU 208 CO 0.00 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1isj n GLY 209 N 1.71 2.98 0.37 -1.39 0.00 -1.26 -1.13 105.19 106.47 1isj n GLY 209 Ca -0.17 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.01 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 0.01 0.00 -0.14 1.61 4.64 -1.93 0.20 113.55 117.94 1isj h SER 210 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1isj h SER 210 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1isj h SER 210 CO 0.00 0.00 -0.06 0.24 -0.87 0.00 0.00 176.83 176.14 1isj h MET 211 N 0.00 0.44 -0.14 4.77 2.07 -1.46 -1.41 114.93 119.20 1isj h MET 211 Ca 0.13 -0.10 -0.09 0.00 -2.07 0.00 0.00 59.70 57.57 1isj h MET 211 Cb 0.88 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.54 1isj h MET 211 CO -0.00 0.51 -0.30 0.87 1.07 0.00 0.00 176.91 179.06 1isj h LYS 212 N 0.42 0.27 -0.02 1.72 1.57 -0.68 -1.45 116.57 118.39 1isj h LYS 212 Ca 0.09 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1isj h LYS 212 Cb 0.37 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1isj h LYS 212 CO 0.02 0.55 -0.01 0.28 -0.57 0.00 0.00 179.45 179.72 1isj h VAL 213 N 0.24 1.31 -0.05 0.50 2.07 -1.30 -1.89 116.25 117.13 1isj h VAL 213 Ca 0.03 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1isj h VAL 213 Cb 0.66 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1isj h VAL 213 CO 0.05 0.25 -0.10 0.25 0.02 0.00 0.00 177.57 178.03 1isj h LEU 214 N -0.34 -0.32 -0.56 2.57 5.85 -1.09 0.41 115.31 121.83 1isj h LEU 214 Ca 0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1isj h LEU 214 Cb 0.41 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1isj h LEU 214 CO 0.00 -0.15 0.32 -0.08 -0.34 0.00 0.00 178.44 178.20 1isj h GLU 215 N -0.15 0.62 -0.52 1.25 4.81 -1.31 -0.10 114.58 119.17 1isj h GLU 215 Ca 0.06 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1isj h GLU 215 Cb 0.23 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1isj h GLU 215 CO -0.15 0.41 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.23 1isj h LYS 216 N 0.63 0.96 -0.36 1.92 3.64 -1.04 -0.42 116.57 121.91 1isj h LYS 216 Ca 0.23 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1isj h LYS 216 Cb 0.06 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1isj h LYS 216 CO -0.12 1.01 0.08 -0.09 -2.27 0.00 0.00 179.45 178.06 1isj h ARG 217 N 0.86 0.58 -0.53 1.90 2.43 -0.40 0.13 114.38 119.35 1isj h ARG 217 Ca 0.14 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1isj h ARG 217 Cb 0.63 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1isj h ARG 217 CO 0.04 0.63 0.09 -0.07 -1.51 0.00 0.00 179.97 179.15 1isj h LEU 218 N 0.43 0.85 -0.65 3.80 3.38 -0.88 -1.82 115.31 120.42 1isj h LEU 218 Ca 0.11 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1isj h LEU 218 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1isj h LEU 218 CO 0.00 0.89 -0.23 0.11 0.09 0.00 0.00 178.44 179.30 1isj h LYS 219 N 0.77 0.81 0.00 1.13 1.57 -0.98 -1.93 116.57 117.94 1isj h LYS 219 Ca 0.16 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1isj h LYS 219 Cb 0.41 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1isj h LYS 219 CO 0.01 0.96 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.32 1isj h ASP 220 N 0.70 0.00 1.12 0.86 3.32 -0.51 -0.19 116.42 121.73 1isj h ASP 220 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1isj h ASP 220 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1isj h ASP 220 CO 0.06 0.10 0.00 0.23 -1.72 0.00 0.00 179.24 177.91 1isj n MET 221 N -4.31 0.07 -0.07 3.56 2.81 -0.70 -4.92 117.12 113.55 1isj n MET 221 Ca -0.03 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1isj n MET 221 Cb 0.18 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 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 1.44 0.93 3.84 3.03 0.00 -0.08 -5.09 105.19 109.26 1isj n GLY 222 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.01 3.35 0.22 1.61 0.40 -0.78 -5.01 117.98 115.76 1isj s PHE 223 Ca 0.00 1.35 -0.29 0.00 -0.60 0.00 0.00 56.93 57.39 1isj s PHE 223 Cb 0.00 -2.64 -0.09 0.00 0.51 0.00 0.00 43.02 40.80 1isj s PHE 223 CO 0.00 0.02 0.91 -1.14 0.70 0.00 0.00 175.22 175.71 1isj s GLN 224 N -3.06 4.79 0.04 0.44 0.74 -1.26 -4.40 119.66 116.96 1isj s GLN 224 Ca 0.57 1.42 0.03 0.00 0.05 0.00 0.00 55.36 57.43 1isj s GLN 224 Cb -0.10 -3.28 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 1isj s GLN 224 CO 0.16 0.51 -0.09 -0.47 -0.55 0.00 0.00 175.29 174.85 1isj s TYR 225 N -1.11 0.78 -0.02 1.67 5.04 -1.26 -1.59 117.35 120.86 1isj s TYR 225 Ca 0.40 -0.45 -0.22 0.00 -2.44 0.00 0.00 57.07 54.37 1isj s TYR 225 Cb -0.25 -0.46 0.04 0.00 0.35 0.00 0.00 41.96 41.64 1isj s TYR 225 CO 0.31 -0.05 0.47 -1.54 -1.34 0.00 0.00 175.55 173.40 1isj s SER 226 N -1.46 -0.38 0.01 4.32 1.04 -0.91 -4.97 113.70 111.34 1isj s SER 226 Ca -0.07 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.71 1isj s SER 226 Cb -0.09 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 1isj s SER 226 CO 0.01 -0.53 -0.06 0.00 0.98 0.00 0.00 173.24 173.63 1isj s ILE 228 N -0.59 0.76 -0.03 0.00 1.01 0.36 -4.93 121.20 117.78 1isj s ILE 228 Ca -0.02 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.11 1isj s ILE 228 Cb -0.05 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1isj s ILE 228 CO 0.00 0.28 0.83 0.20 0.00 0.00 0.00 174.94 176.25 1isj s ASN 229 N 0.89 7.17 -1.23 3.58 0.01 -1.26 -0.86 114.94 123.24 1isj s ASN 229 Ca -0.11 1.42 -0.21 0.00 -0.71 0.00 0.00 52.86 53.24 1isj s ASN 229 Cb -0.15 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.04 1isj s ASN 229 CO 0.01 -0.17 0.65 0.47 -1.51 0.00 0.00 177.10 176.54 1isj n ASP 230 N 3.78 -3.72 -4.67 -1.22 8.00 0.53 -4.76 116.55 114.49 1isj n ASP 230 Ca 0.02 -1.13 -0.66 0.00 0.71 0.00 0.00 54.79 53.72 1isj n ASP 230 Cb 0.51 -2.63 -0.10 0.00 -0.02 0.00 0.00 41.12 38.89 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 -4.55 1.63 -0.22 1.24 9.36 -1.26 -4.60 117.16 118.76 1isj n TYR 231 Ca -0.15 1.13 -0.01 0.00 3.32 0.00 0.00 57.90 62.19 1isj n TYR 231 Cb 0.60 -2.19 0.05 0.00 -0.63 0.00 0.00 39.34 37.18 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 4.75 -0.05 -0.95 2.98 9.65 -1.98 -0.80 114.38 127.99 1isj h ARG 232 Ca -0.44 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.55 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 0.94 -0.03 0.58 -1.35 2.80 0.00 0.00 179.97 182.91 1isj h PRO 233 N -0.05 0.91 -0.01 0.20 0.11 -2.00 -0.12 132.00 131.04 1isj h PRO 233 Ca 0.30 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 1isj h PRO 233 Cb 0.51 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1isj h PRO 233 CO -0.69 0.60 -0.87 0.28 -0.21 0.00 0.00 178.00 177.11 1isj h VAL 234 N 0.93 1.45 -0.52 3.15 2.07 -1.71 -2.86 116.25 118.77 1isj h VAL 234 Ca 0.46 -2.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.49 1isj h VAL 234 Cb 0.44 2.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.58 1isj h VAL 234 CO -0.26 0.73 0.31 0.50 0.02 0.00 0.00 177.57 178.88 1isj h LYS 235 N 0.16 0.71 -0.62 1.57 1.63 -0.21 -0.93 116.57 118.88 1isj h LYS 235 Ca -0.05 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1isj h LYS 235 Cb 1.49 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.94 1isj h LYS 235 CO 0.14 0.52 0.40 -0.07 -3.45 0.00 0.00 179.45 176.99 1isj h LEU 236 N 0.70 0.66 -0.64 5.20 3.38 -1.02 -0.13 115.31 123.47 1isj h LEU 236 Ca 0.19 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1isj h LEU 236 Cb -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1isj h LEU 236 CO -0.03 0.47 0.41 0.25 0.09 0.00 0.00 178.44 179.62 1isj h LEU 237 N 0.79 0.69 -1.26 1.67 5.85 -1.18 -0.95 115.31 120.92 1isj h LEU 237 Ca 0.24 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1isj h LEU 237 Cb -0.03 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1isj h LEU 237 CO -0.08 0.49 0.25 1.56 -0.34 0.00 0.00 178.44 180.31 1isj h GLN 238 N 0.82 0.76 0.00 1.25 4.20 -0.50 -2.65 115.11 118.98 1isj h GLN 238 Ca 0.24 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1isj h GLN 238 Cb -0.04 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 1isj h GLN 238 CO -0.08 0.60 -0.16 0.00 -0.67 0.00 0.00 178.83 178.52 1isj h VAL 240 N 0.00 0.44 -0.71 0.00 2.07 -1.07 0.36 116.25 117.35 1isj h VAL 240 Ca -0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1isj h VAL 240 Cb 0.34 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1isj h VAL 240 CO 0.02 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.09 1isj n ASP 241 N -4.25 4.00 -2.69 0.57 8.00 -1.10 -4.31 116.55 116.78 1isj n ASP 241 Ca 0.25 -2.08 -0.07 0.00 0.71 0.00 0.00 54.79 53.59 1isj n ASP 241 Cb 1.17 -0.50 0.08 0.00 -0.02 0.00 0.00 41.12 41.85 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 1.51 -0.58 0.20 1.24 8.25 0.12 -4.98 115.22 120.98 1isj n HIS 242 Ca 0.24 -2.32 0.17 0.00 -0.26 0.00 0.00 57.72 55.56 1isj n HIS 242 Cb 0.66 0.59 0.82 0.00 1.12 0.00 0.00 29.99 33.18 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 2.43 0.00 -0.34 0.41 4.64 -1.62 -2.31 113.55 116.76 1isj h SER 243 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1isj h SER 243 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1isj h SER 243 CO 0.20 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.51 1isj n THR 244 N -3.86 0.44 -2.86 2.95 -2.24 -1.26 -4.60 114.28 102.85 1isj n THR 244 Ca 0.02 -0.72 -0.39 0.00 -2.27 0.00 0.00 64.05 60.68 1isj n THR 244 Cb 0.32 1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.53 3.90 0.51 4.78 5.04 -0.87 -4.94 115.29 122.18 1isj s HIS 245 Ca 0.37 1.76 0.23 0.00 -1.54 0.00 0.00 55.06 55.88 1isj s HIS 245 Cb 0.22 -2.87 1.32 0.00 0.04 0.00 0.00 32.58 31.29 1isj s HIS 245 CO 0.31 0.45 1.99 -1.00 -2.34 0.00 0.00 174.74 174.15 1isj h PRO 246 N 4.06 0.09 0.00 2.88 0.13 -1.92 0.20 132.00 137.43 1isj h PRO 246 Ca -0.46 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1isj h PRO 246 Cb 1.20 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1isj h PRO 246 CO 0.67 0.06 -0.10 -0.44 -0.23 0.00 0.00 178.00 177.95 1isj h ASP 247 N 0.09 0.00 -0.04 1.44 5.19 -1.92 -2.92 116.42 118.25 1isj h ASP 247 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1isj h ASP 247 Cb 0.91 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1isj h ASP 247 CO -0.02 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 176.20 1isj s ALA 249 N -1.53 3.63 0.37 0.00 0.00 -0.96 -4.93 121.76 118.34 1isj s ALA 249 Ca 0.22 1.42 -0.07 0.00 0.00 0.00 0.00 51.96 53.54 1isj s ALA 249 Cb 0.16 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1isj s ALA 249 CO 0.23 -0.84 0.68 -0.51 0.00 0.00 0.00 175.76 175.32 1isj s LEU 250 N -0.90 3.89 0.00 0.00 1.43 -1.26 -5.07 118.68 116.77 1isj s LEU 250 Ca 0.58 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1isj s LEU 250 Cb -0.44 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.00 1isj s LEU 250 CO 0.49 -0.35 0.44 1.17 0.23 0.00 0.00 176.35 178.33