#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kox h PHE 7 N 0.00 0.17 -0.68 -0.67 3.57 -2.06 -2.84 116.94 114.43 3kox h PHE 7 Ca 0.00 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3kox h PHE 7 Cb 0.00 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3kox h PHE 7 CO 0.00 -0.13 0.28 1.96 -2.23 0.00 0.00 178.31 178.18 3kox h GLN 8 N 0.21 1.00 0.00 1.11 1.08 -2.06 -2.05 115.11 114.41 3kox h GLN 8 Ca 0.41 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 3kox h GLN 8 Cb 0.71 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3kox h GLN 8 CO -0.55 0.82 -0.32 0.37 -0.95 0.00 0.00 178.83 178.19 3kox h GLN 9 N 0.99 0.00 0.00 1.46 4.15 -1.97 -3.18 115.11 116.55 3kox h GLN 9 Ca 0.23 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.50 3kox h GLN 9 Cb 0.18 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 3kox h GLN 9 CO -0.02 0.32 -1.12 0.00 -1.93 0.00 0.00 178.83 176.08 3kox h ARG 10 N 0.00 0.00 -0.00 1.69 3.08 -1.32 -3.28 114.38 114.55 3kox h ARG 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kox h ARG 10 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3kox h ARG 10 CO 0.04 0.41 -0.32 2.89 -1.07 0.00 0.00 179.97 181.92 3kox n ARG 11 N -3.03 0.23 -0.32 0.04 1.85 -0.82 -4.50 116.66 110.11 3kox n ARG 11 Ca -0.06 -0.11 0.12 0.00 -1.00 0.00 0.00 57.85 56.80 3kox n ARG 11 Cb 0.82 -1.50 0.26 0.00 -1.05 0.00 0.00 32.46 30.99 3kox n ARG 11 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kox h ALA 12 N 3.19 1.09 0.00 2.89 0.00 -1.61 0.12 119.26 124.94 3kox h ALA 12 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kox h ALA 12 Cb 0.48 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3kox h ALA 12 CO 0.00 -0.53 0.00 -2.39 0.00 0.00 0.00 179.25 176.33 3kox n HIS 13 N -5.44 0.00 0.91 0.00 1.44 -1.26 -2.60 115.22 108.27 3kox n HIS 13 Ca 0.21 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.02 3kox n HIS 13 Cb 0.69 -0.23 0.01 0.00 0.12 0.00 0.00 29.99 30.58 3kox n HIS 13 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kox n LEU 14 N -1.23 2.06 -0.20 2.39 4.77 0.42 -4.68 117.00 120.53 3kox n LEU 14 Ca 0.11 -0.80 -0.04 0.00 -0.03 0.00 0.00 56.01 55.25 3kox n LEU 14 Cb 0.14 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3kox n LEU 14 CO 0.15 0.38 1.07 0.00 -1.33 0.00 0.00 177.39 177.66 3kox h ALA 15 N 3.67 0.75 0.00 -1.18 0.00 -1.54 -2.57 119.26 118.40 3kox h ALA 15 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kox h ALA 15 Cb 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kox h ALA 15 CO 0.00 0.04 -0.08 -0.91 0.00 0.00 0.00 179.25 178.30 3kox h ASN 16 N 0.65 0.00 -2.56 0.00 -0.26 -1.84 -3.45 115.58 108.13 3kox h ASN 16 Ca 0.24 -0.01 -0.54 0.00 -0.56 0.00 0.00 56.30 55.43 3kox h ASN 16 Cb 0.07 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 37.39 3kox h ASN 16 CO -0.12 0.01 0.95 0.18 -1.06 0.00 0.00 177.43 177.38 3kox n LEU 17 N -2.63 3.76 -4.73 1.61 4.77 -0.97 -4.96 117.00 113.85 3kox n LEU 17 Ca 0.05 1.07 -0.32 0.00 -0.03 0.00 0.00 56.01 56.77 3kox n LEU 17 Cb 0.48 -1.54 0.11 0.00 -2.33 0.00 0.00 43.42 40.14 3kox n LEU 17 CO 0.33 0.05 0.73 -0.94 -1.33 0.00 0.00 177.39 176.23 3kox s SER 18 N 1.09 4.03 0.30 -1.43 1.04 -1.26 -4.77 113.70 112.70 3kox s SER 18 Ca 0.76 2.11 0.06 0.00 0.48 0.00 0.00 55.95 59.36 3kox s SER 18 Cb -0.55 -2.56 0.76 0.00 0.10 0.00 0.00 66.02 63.77 3kox s SER 18 CO 0.34 -2.36 1.75 0.44 0.98 0.00 0.00 173.24 174.39 3kox h ASP 19 N -0.94 0.68 -0.21 7.02 3.32 -1.97 -0.06 116.42 124.26 3kox h ASP 19 Ca -0.45 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 3kox h ASP 19 Cb 1.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3kox h ASP 19 CO 0.48 0.19 0.06 -0.33 -1.72 0.00 0.00 179.24 177.92 3kox h GLU 20 N 0.66 0.33 -0.47 3.56 3.07 -1.99 -0.04 114.58 119.70 3kox h GLU 20 Ca 0.59 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 59.33 3kox h GLU 20 Cb 0.99 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 3kox h GLU 20 CO -0.42 0.44 0.11 0.93 -1.40 0.00 0.00 179.01 178.67 3kox h GLU 21 N 0.16 0.70 -0.49 2.33 5.08 -1.69 0.15 114.58 120.82 3kox h GLU 21 Ca 0.07 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3kox h GLU 21 Cb 0.25 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3kox h GLU 21 CO -0.00 0.64 0.03 1.25 -1.00 0.00 0.00 179.01 179.93 3kox h LEU 22 N 0.68 0.82 -1.14 1.33 5.85 -0.63 -2.49 115.31 119.74 3kox h LEU 22 Ca 0.15 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 3kox h LEU 22 Cb 0.26 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3kox h LEU 22 CO -0.00 0.91 -0.20 -0.61 -0.34 0.00 0.00 178.44 178.19 3kox h GLN 23 N 0.71 0.36 -0.29 1.25 4.15 -0.47 -2.55 115.11 118.26 3kox h GLN 23 Ca 0.14 -0.11 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 3kox h GLN 23 Cb 0.47 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3kox h GLN 23 CO 0.02 0.55 -0.19 1.15 -1.93 0.00 0.00 178.83 178.43 3kox h THR 24 N 0.33 1.30 -0.00 2.39 2.02 -0.29 -2.55 112.91 116.10 3kox h THR 24 Ca 0.06 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.92 3kox h THR 24 Cb 0.54 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3kox h THR 24 CO 0.04 0.42 -0.05 -2.11 0.37 0.00 0.00 175.52 174.18 3kox n ARG 25 N -4.36 0.80 -0.02 6.66 1.85 -0.98 -1.45 116.66 119.16 3kox n ARG 25 Ca -0.03 -0.20 -0.16 0.00 -1.00 0.00 0.00 57.85 56.46 3kox n ARG 25 Cb 0.40 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.22 3kox n ARG 25 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3kox h PHE 26 N 0.49 0.55 0.00 2.89 3.57 -1.15 -2.52 116.94 120.77 3kox h PHE 26 Ca 0.00 -0.25 -0.20 0.00 3.53 0.00 0.00 57.97 61.04 3kox h PHE 26 Cb 0.27 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3kox h PHE 26 CO 0.00 1.02 -0.89 -1.49 -2.23 0.00 0.00 178.31 174.73 3kox h TRP 27 N -0.08 0.34 -0.02 0.41 4.06 -1.09 -1.78 115.95 117.80 3kox h TRP 27 Ca -0.04 -0.18 -0.18 0.00 2.06 0.00 0.00 58.89 60.55 3kox h TRP 27 Cb 1.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 3kox h TRP 27 CO 0.13 1.00 -0.78 1.05 -3.56 0.00 0.00 178.44 176.27 3kox h GLU 28 N 0.12 0.17 0.03 0.49 4.11 -1.35 -2.17 114.58 115.98 3kox h GLU 28 Ca -0.05 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 59.22 3kox h GLU 28 Cb 1.51 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.81 3kox h GLU 28 CO 0.14 0.87 -0.01 0.52 0.07 0.00 0.00 179.01 180.59 3kox h MET 29 N 0.10 -0.04 -0.99 1.06 2.86 -1.40 -1.56 114.93 114.97 3kox h MET 29 Ca -0.03 0.00 0.30 0.00 -2.06 0.00 0.00 59.70 57.92 3kox h MET 29 Cb 1.37 0.01 -0.15 0.00 0.06 0.00 0.00 31.60 32.89 3kox h MET 29 CO 0.12 0.23 0.54 0.00 1.06 0.00 0.00 176.91 178.86 3kox h ALA 30 N 0.66 1.87 -0.05 6.32 0.00 -1.26 -1.52 119.26 125.27 3kox h ALA 30 Ca -0.00 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kox h ALA 30 Cb 0.28 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kox h ALA 30 CO 0.01 -0.52 -0.31 1.49 0.00 0.00 0.00 179.25 179.91 3kox h GLU 31 N 0.35 0.30 -1.03 0.00 4.81 -0.88 -2.18 114.58 115.95 3kox h GLU 31 Ca 0.71 -0.26 0.26 0.00 -0.13 0.00 0.00 59.36 59.94 3kox h GLU 31 Cb 1.56 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 30.91 3kox h GLU 31 CO -0.59 0.91 0.66 0.87 -0.73 0.00 0.00 179.01 180.13 3kox h LYS 32 N -0.23 0.38 0.06 1.92 1.57 -0.77 -1.73 116.57 117.78 3kox h LYS 32 Ca -0.02 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.45 3kox h LYS 32 Cb 0.98 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 33.23 3kox h LYS 32 CO 0.06 0.25 -1.14 0.82 -0.57 0.00 0.00 179.45 178.88 3kox h ILE 33 N 0.40 1.30 0.00 1.86 2.04 -0.84 -3.31 117.51 118.95 3kox h ILE 33 Ca 0.58 -2.40 -0.10 0.00 1.00 0.00 0.00 64.86 63.94 3kox h ILE 33 Cb 1.47 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 40.08 3kox h ILE 33 CO -0.28 0.73 -0.70 -0.37 0.00 0.00 0.00 178.15 177.53 3kox h VAL 34 N 0.31 0.63 -0.40 1.67 -1.51 -1.01 -3.40 116.25 112.54 3kox h VAL 34 Ca -0.15 -1.95 0.08 0.00 -1.23 0.00 0.00 66.70 63.45 3kox h VAL 34 Cb 1.80 2.22 -0.09 0.00 -2.13 0.00 0.00 31.29 33.09 3kox h VAL 34 CO 0.22 0.36 -0.21 0.44 -1.23 0.00 0.00 177.57 177.14 3kox h ASP 35 N 0.00 -0.71 -0.80 4.19 5.19 -1.42 0.17 116.42 123.04 3kox h ASP 35 Ca -0.04 0.16 0.17 0.00 -0.62 0.00 0.00 57.03 56.70 3kox h ASP 35 Cb 1.36 0.38 -0.05 0.00 0.18 0.00 0.00 39.33 41.20 3kox h ASP 35 CO 0.05 -0.24 0.54 -0.65 -3.12 0.00 0.00 179.24 175.82 3kox h PRO 36 N -0.14 0.35 -0.37 3.56 0.10 -1.78 0.24 132.00 133.97 3kox h PRO 36 Ca 0.20 -0.02 -0.15 0.00 0.10 0.00 0.00 66.00 66.12 3kox h PRO 36 Cb 0.44 -0.08 -0.01 0.00 0.10 0.00 0.00 31.00 31.45 3kox h PRO 36 CO -0.49 0.23 -0.36 -0.07 0.10 0.00 0.00 178.00 177.41 3kox h LEU 37 N 0.37 0.96 -0.31 2.35 3.38 -0.97 -1.05 115.31 120.03 3kox h LEU 37 Ca 0.40 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3kox h LEU 37 Cb 1.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3kox h LEU 37 CO -0.13 1.23 -0.13 -0.07 0.09 0.00 0.00 178.44 179.43 3kox h LEU 38 N 0.71 0.66 -0.88 1.67 3.38 -0.64 -2.44 115.31 117.76 3kox h LEU 38 Ca 0.06 -0.40 0.19 0.00 0.09 0.00 0.00 57.88 57.82 3kox h LEU 38 Cb 0.96 -0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.36 3kox h LEU 38 CO 0.09 0.91 -0.16 0.44 0.09 0.00 0.00 178.44 179.82 3kox h ASP 39 N 0.41 -0.71 -0.91 -0.43 3.32 -0.81 -1.43 116.42 115.86 3kox h ASP 39 Ca 0.07 0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.40 3kox h ASP 39 Cb 0.65 0.51 -0.05 0.00 0.22 0.00 0.00 39.33 40.67 3kox h ASP 39 CO 0.04 -0.29 0.60 -0.07 -1.72 0.00 0.00 179.24 177.80 3kox h LEU 40 N 0.01 1.02 -1.32 1.55 3.38 -0.71 -1.16 115.31 118.09 3kox h LEU 40 Ca 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3kox h LEU 40 Cb 0.74 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3kox h LEU 40 CO -0.88 0.73 -0.05 1.23 0.09 0.00 0.00 178.44 179.56 3kox h GLY 41 N 1.20 0.00 0.88 0.83 0.00 -1.07 -3.02 103.07 101.88 3kox h GLY 41 Ca 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.51 3kox h GLY 41 CO -0.09 0.00 -0.60 0.50 0.00 0.00 0.00 176.54 176.35 3kox h LYS 42 N 0.00 0.50 0.00 4.80 1.57 -0.62 -3.37 116.57 119.45 3kox h LYS 42 Ca -0.00 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3kox h LYS 42 Cb 0.58 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3kox h LYS 42 CO 0.01 1.11 -0.80 1.63 -0.57 0.00 0.00 179.45 180.83 3kox n LYS 43 N -4.18 0.11 -4.24 3.15 5.02 -1.08 -4.99 118.16 111.95 3kox n LYS 43 Ca -0.09 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.04 3kox n LYS 43 Cb 0.66 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 3kox n LYS 43 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kox s ASN 44 N -3.36 1.86 0.38 4.39 0.01 -1.14 -5.13 114.94 111.96 3kox s ASN 44 Ca 0.08 -0.89 0.04 0.00 -0.71 0.00 0.00 52.86 51.37 3kox s ASN 44 Cb 0.16 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.75 3kox s ASN 44 CO 0.77 -0.23 0.12 0.28 -1.51 0.00 0.00 177.10 176.53 3kox s THR 45 N -2.63 0.68 0.10 1.60 -1.32 -1.26 -4.81 115.64 107.99 3kox s THR 45 Ca 0.12 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.54 3kox s THR 45 Cb -0.02 -2.45 -0.02 0.00 -1.51 0.00 0.00 72.50 68.51 3kox s THR 45 CO 0.02 0.00 0.13 0.42 -2.21 0.00 0.00 174.62 172.98 3kox s THR 46 N -3.27 0.14 0.24 5.08 -4.23 -1.26 -5.04 115.64 107.30 3kox s THR 46 Ca 0.27 -1.48 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 3kox s THR 46 Cb 0.04 -1.57 0.21 0.00 1.34 0.00 0.00 72.50 72.52 3kox s THR 46 CO 0.15 -0.66 1.74 -0.65 -0.54 0.00 0.00 174.62 174.66 3kox h PRO 47 N 2.84 0.46 -0.56 3.99 0.11 -1.99 -1.61 132.00 135.23 3kox h PRO 47 Ca -0.34 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 3kox h PRO 47 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3kox h PRO 47 CO 0.58 0.30 0.06 0.66 -0.21 0.00 0.00 178.00 179.39 3kox h SER 48 N 0.47 0.92 -0.09 -2.05 4.64 -1.98 -0.31 113.55 115.15 3kox h SER 48 Ca 0.40 -0.28 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3kox h SER 48 Cb 0.57 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3kox h SER 48 CO -0.37 0.97 -0.07 0.40 -0.87 0.00 0.00 176.83 176.88 3kox h ILE 49 N 0.84 0.79 -0.20 0.95 2.04 -1.77 0.74 117.51 120.90 3kox h ILE 49 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3kox h ILE 49 Cb 0.46 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3kox h ILE 49 CO 0.02 0.00 0.10 -0.33 0.00 0.00 0.00 178.15 177.94 3kox h GLU 50 N -0.08 0.28 -0.98 2.37 4.39 -0.99 0.24 114.58 119.82 3kox h GLU 50 Ca 0.06 -0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.84 3kox h GLU 50 Cb 0.17 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.69 3kox h GLU 50 CO -0.14 0.29 0.62 0.00 -1.16 0.00 0.00 179.01 178.63 3kox h ARG 51 N 0.20 0.93 0.00 2.33 3.08 -0.96 -1.75 114.38 118.19 3kox h ARG 51 Ca 0.07 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3kox h ARG 51 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3kox h ARG 51 CO -0.01 0.61 -0.33 0.66 -1.07 0.00 0.00 179.97 179.83 3kox h SER 52 N 0.95 0.00 -0.06 7.04 4.64 0.18 -1.24 113.55 125.07 3kox h SER 52 Ca 0.48 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.77 3kox h SER 52 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kox h SER 52 CO -0.24 0.33 -0.08 0.58 -0.87 0.00 0.00 176.83 176.54 3kox h VAL 53 N 0.00 1.39 -0.57 0.95 2.07 0.00 -2.89 116.25 117.19 3kox h VAL 53 Ca -0.00 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.28 3kox h VAL 53 Cb 0.79 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 3kox h VAL 53 CO 0.04 0.36 0.25 -0.07 0.02 0.00 0.00 177.57 178.18 3kox h LEU 54 N -0.30 0.31 -0.63 2.57 3.38 -0.90 -0.59 115.31 119.15 3kox h LEU 54 Ca 0.01 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kox h LEU 54 Cb 0.62 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3kox h LEU 54 CO 0.02 0.20 0.36 -0.07 0.09 0.00 0.00 178.44 179.04 3kox h LEU 55 N 0.47 0.54 -1.94 1.67 3.38 -1.28 0.94 115.31 119.09 3kox h LEU 55 Ca 0.27 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3kox h LEU 55 Cb 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kox h LEU 55 CO -0.23 0.36 -0.09 0.03 0.09 0.00 0.00 178.44 178.59 3kox h ARG 56 N 0.68 0.00 0.00 1.13 3.08 -1.00 -2.35 114.38 115.91 3kox h ARG 56 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3kox h ARG 56 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kox h ARG 56 CO -0.16 0.09 -0.58 0.52 -1.07 0.00 0.00 179.97 178.77 3kox h MET 57 N 0.00 0.00 0.00 0.04 2.86 0.55 -3.48 114.93 114.90 3kox h MET 57 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kox h MET 57 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3kox h MET 57 CO 0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.39 3kox n GLY 58 N 1.20 1.59 3.57 8.32 0.00 0.03 -4.87 105.19 115.02 3kox n GLY 58 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3kox n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kox s PHE 59 N -2.00 2.76 1.15 1.61 0.08 -0.94 -5.00 117.98 115.65 3kox s PHE 59 Ca 0.00 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 56.78 3kox s PHE 59 Cb 0.00 -1.49 0.27 0.00 -0.57 0.00 0.00 43.02 41.24 3kox s PHE 59 CO 0.00 0.39 1.04 -1.54 -0.10 0.00 0.00 175.22 175.00 3kox s SER 60 N -1.89 1.14 0.17 1.36 1.04 -1.26 -4.20 113.70 110.07 3kox s SER 60 Ca 0.19 1.33 -0.10 0.00 0.48 0.00 0.00 55.95 57.85 3kox s SER 60 Cb -0.11 -2.06 0.05 0.00 0.10 0.00 0.00 66.02 64.00 3kox s SER 60 CO 0.11 -4.07 1.62 0.77 0.98 0.00 0.00 173.24 172.65 3kox h SER 61 N -2.54 1.03 -0.85 7.02 4.64 -1.98 -1.72 113.55 119.15 3kox h SER 61 Ca -0.59 -0.32 0.12 0.00 -0.47 0.00 0.00 61.79 60.53 3kox h SER 61 Cb 1.34 -0.28 -0.08 0.00 -0.31 0.00 0.00 62.40 63.07 3kox h SER 61 CO 0.51 1.10 0.47 -0.07 -0.87 0.00 0.00 176.83 177.97 3kox h LEU 62 N 0.94 0.64 -0.06 5.97 3.38 -2.01 -1.54 115.31 122.63 3kox h LEU 62 Ca 0.16 0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.94 3kox h LEU 62 Cb 0.58 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.30 3kox h LEU 62 CO 0.03 0.33 -0.98 -0.33 0.09 0.00 0.00 178.44 177.59 3kox h GLU 63 N 0.74 0.69 -0.15 1.13 5.08 -1.90 -3.18 114.58 117.00 3kox h GLU 63 Ca 0.44 -0.70 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 3kox h GLU 63 Cb 0.50 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3kox h GLU 63 CO -0.30 1.29 -0.34 0.00 -1.00 0.00 0.00 179.01 178.66 3kox h ALA 64 N 0.48 1.15 0.59 3.43 0.00 -0.88 -1.83 119.26 122.20 3kox h ALA 64 Ca -0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kox h ALA 64 Cb 1.62 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.32 3kox h ALA 64 CO 0.19 0.55 -0.29 -0.22 0.00 0.00 0.00 179.25 179.49 3kox h LYS 65 N 0.26 -0.77 0.15 0.00 3.64 -1.33 -0.20 116.57 118.31 3kox h LYS 65 Ca 0.03 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3kox h LYS 65 Cb 0.73 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 3kox h LYS 65 CO 0.06 -0.48 -0.40 0.00 -2.27 0.00 0.00 179.45 176.35 3kox h ALA 66 N -0.52 -0.73 -0.39 5.00 0.00 -1.55 0.80 119.26 121.87 3kox h ALA 66 Ca -0.08 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3kox h ALA 66 Cb 0.64 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 3kox h ALA 66 CO 0.13 -0.97 -0.12 0.82 0.00 0.00 0.00 179.25 179.11 3kox h ILE 67 N -0.66 0.55 -0.07 0.00 2.04 -1.32 -1.57 117.51 116.49 3kox h ILE 67 Ca 0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.79 3kox h ILE 67 Cb 0.67 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3kox h ILE 67 CO -0.21 0.00 -0.36 0.58 0.00 0.00 0.00 178.15 178.15 3kox h VAL 68 N -0.04 1.28 0.84 1.67 2.07 -0.28 -2.03 116.25 119.77 3kox h VAL 68 Ca 0.19 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 3kox h VAL 68 Cb 0.33 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3kox h VAL 68 CO -0.42 0.39 -0.50 0.44 0.02 0.00 0.00 177.57 177.50 3kox h ASP 69 N 0.12 -1.25 -0.49 0.57 3.32 0.15 -2.49 116.42 116.35 3kox h ASP 69 Ca 0.01 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.27 3kox h ASP 69 Cb 0.70 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3kox h ASP 69 CO 0.05 -0.78 0.37 0.11 -1.72 0.00 0.00 179.24 177.27 3kox h LYS 70 N -1.25 0.00 -0.18 3.56 1.57 -1.26 -1.16 116.57 117.84 3kox h LYS 70 Ca -0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3kox h LYS 70 Cb 0.99 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3kox h LYS 70 CO 0.13 0.00 -0.24 1.15 -0.57 0.00 0.00 179.45 179.91 3kox h THR 71 N 0.00 1.34 -0.36 -0.16 2.02 -1.18 -2.00 112.91 112.57 3kox h THR 71 Ca 0.23 -1.44 -0.13 0.00 0.77 0.00 0.00 66.41 65.84 3kox h THR 71 Cb 0.96 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 3kox h THR 71 CO -0.00 0.44 -0.29 0.24 0.37 0.00 0.00 175.52 176.28 3kox h MET 72 N 0.14 0.77 -0.45 6.66 2.86 -1.03 0.55 114.93 124.44 3kox h MET 72 Ca 0.02 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.35 3kox h MET 72 Cb 0.81 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 3kox h MET 72 CO 0.06 0.96 0.24 -0.44 1.06 0.00 0.00 176.91 178.79 3kox h ASP 73 N 0.66 0.38 -0.14 1.22 3.32 -1.21 -2.49 116.42 118.16 3kox h ASP 73 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3kox h ASP 73 Cb 0.81 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3kox h ASP 73 CO 0.07 0.27 0.00 0.54 -1.72 0.00 0.00 179.24 178.40 3kox n ARG 74 N -4.87 1.34 -3.11 3.56 1.74 -0.75 -4.89 116.66 109.69 3kox n ARG 74 Ca 0.02 -0.51 -0.23 0.00 -0.77 0.00 0.00 57.85 56.37 3kox n ARG 74 Cb 0.09 -1.13 0.03 0.00 -1.02 0.00 0.00 32.46 30.43 3kox n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kox n GLY 75 N 0.69 -0.52 0.70 -0.13 0.00 -0.63 -4.90 105.19 100.40 3kox n GLY 75 Ca 0.05 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3kox n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kox n LEU 76 N -4.06 2.90 0.13 0.99 4.32 0.09 -4.64 117.00 116.73 3kox n LEU 76 Ca -0.09 -1.84 0.15 0.00 -0.02 0.00 0.00 56.01 54.21 3kox n LEU 76 Cb 0.61 -0.22 0.69 0.00 -1.62 0.00 0.00 43.42 42.87 3kox n LEU 76 CO 0.49 0.70 1.13 0.24 -1.22 0.00 0.00 177.39 178.74 3kox h MET 77 N 2.35 0.00 0.00 3.23 2.86 -1.91 -1.65 114.93 119.80 3kox h MET 77 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kox h MET 77 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3kox h MET 77 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3kox n GLY 78 N -1.57 -1.02 0.08 8.32 0.00 -1.26 -1.55 105.19 108.19 3kox n GLY 78 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 3kox n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kox n LYS 79 N -1.74 0.65 -0.03 1.61 4.76 -0.62 -5.08 118.16 117.69 3kox n LYS 79 Ca 0.03 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 3kox n LYS 79 Cb 0.16 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 3kox n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kox n GLY 80 N 1.48 0.60 0.23 0.72 0.00 -0.59 -4.47 105.19 103.15 3kox n GLY 80 Ca -0.15 -1.24 0.05 0.00 0.00 0.00 0.00 46.02 44.68 3kox n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kox h ALA 81 N 0.00 1.69 -0.20 4.61 0.00 -1.84 -1.73 119.26 121.79 3kox h ALA 81 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 3kox h ALA 81 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kox h ALA 81 CO 0.00 0.23 -0.68 0.78 0.00 0.00 0.00 179.25 179.58 3kox h GLY 82 N 0.55 0.85 0.07 0.00 0.00 -1.90 -2.57 103.07 100.07 3kox h GLY 82 Ca 0.00 -1.11 0.18 0.00 0.00 0.00 0.00 47.33 46.41 3kox h GLY 82 CO 0.02 0.99 0.45 0.84 0.00 0.00 0.00 176.54 178.84 3kox h HIS 83 N 0.55 0.78 -0.17 5.60 6.17 -1.64 -2.06 115.15 124.39 3kox h HIS 83 Ca -0.02 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 3kox h HIS 83 Cb 1.29 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 31.01 3kox h HIS 83 CO 0.07 0.11 0.07 0.82 0.71 0.00 0.00 177.93 179.72 3kox h ILE 84 N 0.57 1.15 -0.32 6.26 1.08 -0.95 -1.55 117.51 123.74 3kox h ILE 84 Ca 0.51 -0.44 -0.05 0.00 -0.39 0.00 0.00 64.86 64.49 3kox h ILE 84 Cb 0.83 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 3kox h ILE 84 CO -0.42 0.14 -0.01 0.58 -0.69 0.00 0.00 178.15 177.75 3kox h VAL 85 N 0.13 1.19 0.34 1.67 2.07 -1.38 -2.27 116.25 118.00 3kox h VAL 85 Ca 0.06 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 3kox h VAL 85 Cb 0.16 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3kox h VAL 85 CO -0.01 0.26 -0.16 0.22 0.02 0.00 0.00 177.57 177.90 3kox h TYR 86 N 0.48 -0.42 0.11 1.57 3.20 -1.01 -1.07 116.97 119.82 3kox h TYR 86 Ca 0.10 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 3kox h TYR 86 Cb 0.33 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 3kox h TYR 86 CO 0.01 -0.13 -0.24 0.87 -1.64 0.00 0.00 178.16 177.03 3kox h LYS 87 N -0.70 -0.42 -0.83 1.82 1.79 -1.20 -1.70 116.57 115.33 3kox h LYS 87 Ca -0.05 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 3kox h LYS 87 Cb 0.49 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 31.17 3kox h LYS 87 CO 0.08 -0.28 0.54 0.82 -1.08 0.00 0.00 179.45 179.52 3kox h ILE 88 N -0.44 0.88 -0.18 1.86 1.08 -1.46 0.12 117.51 119.38 3kox h ILE 88 Ca 0.03 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3kox h ILE 88 Cb 0.46 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.35 3kox h ILE 88 CO -0.14 0.12 0.11 0.00 -0.69 0.00 0.00 178.15 177.56 3kox h ALA 89 N 1.60 0.23 0.05 1.87 0.00 -0.32 -1.79 119.26 120.90 3kox h ALA 89 Ca 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kox h ALA 89 Cb 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kox h ALA 89 CO -0.16 -0.30 -0.02 0.87 0.00 0.00 0.00 179.25 179.64 3kox h LYS 90 N 0.24 -0.06 -0.13 0.00 1.57 -0.46 -0.62 116.57 117.09 3kox h LYS 90 Ca 0.07 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3kox h LYS 90 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3kox h LYS 90 CO -0.02 0.57 0.20 0.93 -0.57 0.00 0.00 179.45 180.56 3kox h GLU 91 N -0.81 0.00 -0.02 3.15 4.39 -0.87 -0.86 114.58 119.56 3kox h GLU 91 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kox h GLU 91 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3kox h GLU 91 CO 0.01 0.00 -0.08 1.63 -1.16 0.00 0.00 179.01 179.41 3kox n LYS 92 N -3.54 1.36 -3.66 2.33 4.76 -0.67 -4.99 118.16 113.75 3kox n LYS 92 Ca 0.01 -1.27 -0.22 0.00 -2.87 0.00 0.00 58.31 53.96 3kox n LYS 92 Cb 0.31 -1.29 0.05 0.00 -1.84 0.00 0.00 35.03 32.26 3kox n LYS 92 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kox n ASN 93 N 0.62 -2.11 -4.42 4.39 5.03 -0.33 -5.02 115.26 113.42 3kox n ASN 93 Ca 0.09 -0.75 -0.21 0.00 0.87 0.00 0.00 54.58 54.58 3kox n ASN 93 Cb 0.38 -4.35 -0.10 0.00 -1.02 0.00 0.00 39.78 34.69 3kox n ASN 93 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3kox s ILE 94 N -3.53 1.64 0.63 2.41 -4.36 -0.33 -5.05 121.20 112.60 3kox s ILE 94 Ca 0.12 -2.13 -0.18 0.00 -0.26 0.00 0.00 60.65 58.20 3kox s ILE 94 Cb -0.06 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.23 3kox s ILE 94 CO 0.79 -0.33 1.20 -0.94 0.24 0.00 0.00 174.94 175.90 3kox s SER 95 N -3.43 4.98 0.16 4.36 1.04 -1.26 -4.46 113.70 115.09 3kox s SER 95 Ca 0.29 2.35 -0.19 0.00 0.48 0.00 0.00 55.95 58.87 3kox s SER 95 Cb 0.03 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.63 3kox s SER 95 CO 0.11 -1.73 1.65 0.58 0.98 0.00 0.00 173.24 174.83 3kox h VAL 96 N 0.57 0.51 -0.65 5.02 2.07 -1.90 0.14 116.25 122.01 3kox h VAL 96 Ca -0.50 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.15 3kox h VAL 96 Cb 1.29 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 31.45 3kox h VAL 96 CO 0.54 0.00 -0.19 -0.09 0.02 0.00 0.00 177.57 177.85 3kox h ARG 97 N -0.11 -0.02 -0.04 1.57 9.65 -1.92 -0.35 114.38 123.17 3kox h ARG 97 Ca 0.17 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.90 3kox h ARG 97 Cb 0.36 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 3kox h ARG 97 CO -0.40 -0.02 -0.67 0.93 2.80 0.00 0.00 179.97 182.62 3kox h GLU 98 N -0.02 0.16 -0.23 0.20 4.39 -1.42 -1.96 114.58 115.70 3kox h GLU 98 Ca 0.31 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 3kox h GLU 98 Cb 0.49 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3kox h GLU 98 CO -0.68 0.76 -0.01 0.00 -1.16 0.00 0.00 179.01 177.93 3kox h ALA 99 N 1.20 0.32 -0.28 3.43 0.00 -0.09 -2.15 119.26 121.70 3kox h ALA 99 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3kox h ALA 99 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3kox h ALA 99 CO 0.10 0.05 0.00 0.78 0.00 0.00 0.00 179.25 180.18 3kox h GLY 100 N 0.18 0.52 0.79 0.00 0.00 -0.90 0.32 103.07 103.98 3kox h GLY 100 Ca 0.07 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.06 3kox h GLY 100 CO 0.01 0.35 0.49 -2.00 0.00 0.00 0.00 176.54 175.39 3kox h LEU 101 N 0.27 0.78 -0.05 3.11 5.85 -1.38 -0.29 115.31 123.60 3kox h LEU 101 Ca 0.08 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3kox h LEU 101 Cb 0.42 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 3kox h LEU 101 CO 0.01 0.52 -0.15 0.00 -0.34 0.00 0.00 178.44 178.48 3kox h ALA 102 N 1.36 -0.14 -0.92 1.25 0.00 -0.68 -2.45 119.26 117.68 3kox h ALA 102 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 3kox h ALA 102 Cb 0.09 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3kox h ALA 102 CO -0.14 -0.63 0.56 -0.07 0.00 0.00 0.00 179.25 178.97 3kox h LEU 103 N -0.23 1.10 -1.96 0.00 3.38 -0.51 -2.04 115.31 115.06 3kox h LEU 103 Ca 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3kox h LEU 103 Cb 0.32 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kox h LEU 103 CO -0.18 0.84 -0.11 0.77 0.09 0.00 0.00 178.44 179.85 3kox h SER 104 N 1.27 0.00 -0.21 -0.43 4.64 -0.71 -0.33 113.55 117.78 3kox h SER 104 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3kox h SER 104 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3kox h SER 104 CO -0.06 0.11 0.00 -0.62 -0.87 0.00 0.00 176.83 175.39 3kox n GLU 105 N -3.89 2.02 0.00 4.77 1.02 -0.95 -4.71 120.64 118.90 3kox n GLU 105 Ca -0.02 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 3kox n GLU 105 Cb 0.20 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3kox n GLU 105 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kox n GLY 106 N 1.27 0.48 3.92 0.62 0.00 -0.13 -5.09 105.19 106.26 3kox n GLY 106 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3kox n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kox s LYS 107 N -0.90 3.52 -0.00 1.61 1.02 -0.80 -4.29 119.74 119.90 3kox s LYS 107 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.66 3kox s LYS 107 Cb 0.00 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 3kox s LYS 107 CO 0.00 0.44 0.00 0.66 -0.92 0.00 0.00 175.35 175.53 3kox n TYR 108 N -0.44 0.00 -0.05 3.18 4.01 -1.26 -3.57 117.16 119.03 3kox n TYR 108 Ca -0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.57 3kox n TYR 108 Cb 0.53 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3kox n TYR 108 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 3kox h TRP 109 N 0.00 0.93 -0.48 -0.72 4.06 -1.95 -1.38 115.95 116.41 3kox h TRP 109 Ca -0.00 -0.33 0.02 0.00 2.06 0.00 0.00 58.89 60.64 3kox h TRP 109 Cb 0.28 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 3kox h TRP 109 CO 0.17 1.11 0.30 -0.44 -3.56 0.00 0.00 178.44 176.02 3kox h ASP 110 N 0.57 0.50 -0.62 -3.49 3.45 -1.91 0.28 116.42 115.20 3kox h ASP 110 Ca 0.02 -0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.48 3kox h ASP 110 Cb 1.11 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.74 3kox h ASP 110 CO 0.11 0.35 0.41 0.44 -1.57 0.00 0.00 179.24 178.98 3kox h ASP 111 N 0.60 0.71 -0.41 6.45 3.32 -1.95 -2.82 116.42 122.32 3kox h ASP 111 Ca 0.19 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 3kox h ASP 111 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3kox h ASP 111 CO -0.07 0.52 -0.24 0.00 -1.72 0.00 0.00 179.24 177.72 3kox h ALA 112 N 1.22 0.58 -0.85 3.45 0.00 -0.60 -1.95 119.26 121.12 3kox h ALA 112 Ca 0.23 -0.39 0.18 0.00 0.00 0.00 0.00 54.91 54.92 3kox h ALA 112 Cb -0.09 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.45 3kox h ALA 112 CO -0.05 0.58 0.39 0.82 0.00 0.00 0.00 179.25 180.99 3kox h ILE 113 N 0.71 0.60 -0.01 0.00 2.04 -0.89 -3.51 117.51 116.45 3kox h ILE 113 Ca 0.09 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3kox h ILE 113 Cb 0.82 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3kox h ILE 113 CO 0.07 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.31