#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sdh h VAL 3 N 0.00 1.05 -0.26 2.46 3.04 -1.88 -0.18 116.25 120.47 3sdh h VAL 3 Ca 0.00 -0.29 -0.14 0.00 -1.01 0.00 0.00 66.70 65.26 3sdh h VAL 3 Cb 0.00 0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.39 3sdh h VAL 3 CO 0.00 0.16 -0.40 1.88 -1.01 0.00 0.00 177.57 178.20 3sdh h TYR 4 N 0.85 0.73 -0.44 3.17 -1.99 -1.97 0.29 116.97 117.62 3sdh h TYR 4 Ca 0.33 -0.21 -0.12 0.00 2.00 0.00 0.00 58.73 60.73 3sdh h TYR 4 Cb 0.20 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 3sdh h TYR 4 CO -0.00 0.92 -0.20 -0.44 -0.00 0.00 0.00 178.16 178.44 3sdh h ASP 5 N 0.51 0.93 -0.59 3.88 3.32 -1.85 -2.25 116.42 120.37 3sdh h ASP 5 Ca 0.04 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 3sdh h ASP 5 Cb 0.91 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 3sdh h ASP 5 CO 0.08 1.12 0.25 0.00 -1.72 0.00 0.00 179.24 178.98 3sdh h ALA 6 N 0.84 0.76 -0.11 3.45 0.00 -0.81 -1.94 119.26 121.45 3sdh h ALA 6 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3sdh h ALA 6 Cb 0.76 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3sdh h ALA 6 CO 0.06 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.68 3sdh h ALA 7 N 1.10 1.84 0.00 0.00 0.00 -0.85 -2.05 119.26 119.30 3sdh h ALA 7 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3sdh h ALA 7 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3sdh h ALA 7 CO -0.02 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3sdh h ALA 8 N 1.88 1.00 0.00 0.00 0.00 -0.73 -2.29 119.26 119.12 3sdh h ALA 8 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3sdh h ALA 8 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3sdh h ALA 8 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 3sdh n GLN 9 N -3.03 0.28 -2.92 0.00 1.13 -0.77 -4.38 117.38 107.68 3sdh n GLN 9 Ca 0.01 0.08 -0.44 0.00 -1.94 0.00 0.00 57.00 54.70 3sdh n GLN 9 Cb 0.31 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 3sdh n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3sdh s LEU 10 N -2.63 4.99 0.99 1.08 1.43 -0.86 -4.94 118.68 118.75 3sdh s LEU 10 Ca 0.20 -2.57 -0.15 0.00 -1.03 0.00 0.00 54.13 50.58 3sdh s LEU 10 Cb 0.15 -2.41 0.19 0.00 0.03 0.00 0.00 46.19 44.16 3sdh s LEU 10 CO 0.36 -0.90 1.18 0.42 0.23 0.00 0.00 176.35 177.64 3sdh s THR 11 N 2.16 1.90 0.22 5.49 -4.23 -1.26 -4.73 115.64 115.19 3sdh s THR 11 Ca 0.39 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 3sdh s THR 11 Cb -0.03 -2.76 0.17 0.00 1.34 0.00 0.00 72.50 71.22 3sdh s THR 11 CO -0.04 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.80 3sdh h ALA 12 N -1.80 0.94 -0.64 3.99 0.00 -1.97 0.34 119.26 120.12 3sdh h ALA 12 Ca -0.47 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3sdh h ALA 12 Cb 1.29 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3sdh h ALA 12 CO 0.48 -0.11 0.13 -0.44 0.00 0.00 0.00 179.25 179.31 3sdh h ASP 13 N 0.53 1.00 -0.25 0.00 3.32 -1.99 -0.90 116.42 118.13 3sdh h ASP 13 Ca 0.35 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3sdh h ASP 13 Cb 0.41 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3sdh h ASP 13 CO -0.30 0.99 -0.08 0.58 -1.72 0.00 0.00 179.24 178.72 3sdh h VAL 14 N 0.96 1.29 -0.56 -1.35 2.07 -1.73 -1.28 116.25 115.65 3sdh h VAL 14 Ca 0.20 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.67 3sdh h VAL 14 Cb 0.40 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3sdh h VAL 14 CO 0.01 0.34 0.28 0.11 0.02 0.00 0.00 177.57 178.33 3sdh h LYS 15 N 0.22 0.51 -0.68 1.57 1.57 -0.78 -0.09 116.57 118.90 3sdh h LYS 15 Ca 0.06 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3sdh h LYS 15 Cb 0.55 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3sdh h LYS 15 CO 0.03 0.34 0.41 -0.22 -0.57 0.00 0.00 179.45 179.44 3sdh h LYS 16 N 0.53 0.92 -0.19 3.15 3.64 -0.99 -0.14 116.57 123.48 3sdh h LYS 16 Ca 0.25 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 3sdh h LYS 16 Cb 0.18 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3sdh h LYS 16 CO -0.18 0.65 -0.30 -0.44 -2.27 0.00 0.00 179.45 176.90 3sdh h ASP 17 N 0.92 0.38 -0.10 4.20 3.32 -0.49 0.37 116.42 125.03 3sdh h ASP 17 Ca 0.24 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3sdh h ASP 17 Cb -0.03 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3sdh h ASP 17 CO -0.05 0.68 0.03 -0.07 -1.72 0.00 0.00 179.24 178.11 3sdh h LEU 18 N 0.33 0.15 -0.63 1.55 3.38 -0.74 -2.09 115.31 117.26 3sdh h LEU 18 Ca 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3sdh h LEU 18 Cb 0.70 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3sdh h LEU 18 CO 0.05 0.32 0.27 0.03 0.09 0.00 0.00 178.44 179.21 3sdh h ARG 19 N -0.03 0.92 -0.65 1.13 3.08 -0.69 0.13 114.38 118.28 3sdh h ARG 19 Ca 0.03 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3sdh h ARG 19 Cb 0.23 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3sdh h ARG 19 CO -0.00 0.76 0.24 -0.44 -1.07 0.00 0.00 179.97 179.47 3sdh h ASP 20 N 0.87 0.91 0.36 7.04 3.32 -0.94 -0.89 116.42 127.09 3sdh h ASP 20 Ca 0.21 -0.18 -0.21 0.00 0.02 0.00 0.00 57.03 56.87 3sdh h ASP 20 Cb 0.17 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3sdh h ASP 20 CO -0.02 0.84 -0.88 0.77 -1.72 0.00 0.00 179.24 178.23 3sdh h SER 21 N 0.92 0.47 -0.46 6.45 4.64 -1.30 -3.13 113.55 121.13 3sdh h SER 21 Ca 0.21 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 3sdh h SER 21 Cb 0.23 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3sdh h SER 21 CO -0.01 1.14 0.23 -0.25 -0.87 0.00 0.00 176.83 177.07 3sdh h TRP 22 N 0.22 0.70 -0.98 4.77 2.91 -0.77 -0.06 115.95 122.73 3sdh h TRP 22 Ca -0.06 -0.02 0.21 0.00 1.13 0.00 0.00 58.89 60.15 3sdh h TRP 22 Cb 1.50 -0.22 -0.11 0.00 -0.51 0.00 0.00 29.16 29.81 3sdh h TRP 22 CO 0.05 0.52 0.57 -0.22 -1.03 0.00 0.00 178.44 178.33 3sdh h LYS 23 N 0.71 0.63 0.00 2.65 3.64 -1.10 0.14 116.57 123.24 3sdh h LYS 23 Ca 0.18 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3sdh h LYS 23 Cb 0.09 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3sdh h LYS 23 CO -0.02 0.42 -0.49 0.28 -2.27 0.00 0.00 179.45 177.37 3sdh h VAL 24 N 0.65 1.13 -0.07 2.00 2.07 -1.32 -3.33 116.25 117.38 3sdh h VAL 24 Ca 0.59 -2.02 -0.12 0.00 0.82 0.00 0.00 66.70 65.97 3sdh h VAL 24 Cb 1.00 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3sdh h VAL 24 CO -0.43 0.38 -0.49 0.40 0.02 0.00 0.00 177.57 177.46 3sdh h ILE 25 N -1.00 1.35 0.00 4.57 5.03 -0.94 -2.90 117.51 123.61 3sdh h ILE 25 Ca -0.12 -1.71 0.00 0.00 -0.12 0.00 0.00 64.86 62.91 3sdh h ILE 25 Cb 0.95 1.84 0.00 0.00 -3.03 0.00 0.00 36.82 36.58 3sdh h ILE 25 CO -0.07 0.50 0.00 0.61 -0.68 0.00 0.00 178.15 178.51 3sdh n GLY 26 N -0.03 -1.11 0.13 5.37 0.00 0.47 -2.95 105.19 107.09 3sdh n GLY 26 Ca -0.02 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.07 3sdh n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3sdh h SER 27 N 0.00 0.00 -2.72 1.61 4.64 -1.62 -3.35 113.55 112.12 3sdh h SER 27 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3sdh h SER 27 Cb 0.30 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.99 3sdh h SER 27 CO 0.00 0.00 -0.78 -0.62 -0.87 0.00 0.00 176.83 174.56 3sdh s ASP 28 N -4.93 3.05 0.16 4.97 2.15 -1.15 -4.98 116.67 115.94 3sdh s ASP 28 Ca 0.10 -3.44 -0.11 0.00 0.43 0.00 0.00 52.55 49.52 3sdh s ASP 28 Cb 0.11 -1.01 0.02 0.00 -0.30 0.00 0.00 42.92 41.74 3sdh s ASP 28 CO 0.61 -0.13 1.59 0.11 -0.17 0.00 0.00 175.17 177.19 3sdh h LYS 29 N 5.52 0.95 0.30 4.34 1.57 -1.77 -0.09 116.57 127.38 3sdh h LYS 29 Ca 0.21 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3sdh h LYS 29 Cb 0.83 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3sdh h LYS 29 CO 0.54 1.00 -0.14 -0.22 -0.57 0.00 0.00 179.45 180.05 3sdh h LYS 30 N 0.82 -0.38 -0.19 3.15 3.64 -1.92 0.13 116.57 121.82 3sdh h LYS 30 Ca 0.14 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3sdh h LYS 30 Cb 0.60 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3sdh h LYS 30 CO 0.04 -0.18 -0.07 0.78 -2.27 0.00 0.00 179.45 177.75 3sdh h GLY 31 N -0.51 0.41 1.58 5.01 0.00 -1.96 -1.42 103.07 106.18 3sdh h GLY 31 Ca -0.04 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 46.74 3sdh h GLY 31 CO 0.07 0.32 -0.81 3.43 0.00 0.00 0.00 176.54 179.55 3sdh h ASN 32 N 0.08 0.48 -0.10 0.19 2.35 -1.07 -1.49 115.58 116.02 3sdh h ASN 32 Ca 0.04 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.46 3sdh h ASN 32 Cb 0.53 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3sdh h ASN 32 CO 0.02 1.11 0.03 1.23 -1.65 0.00 0.00 177.43 178.17 3sdh h GLY 33 N 1.31 0.12 1.34 2.83 0.00 -0.73 -0.32 103.07 107.61 3sdh h GLY 33 Ca -0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 3sdh h GLY 33 CO 0.14 0.01 -0.04 -2.08 0.00 0.00 0.00 176.54 174.57 3sdh h VAL 34 N 0.08 1.25 -0.64 4.60 2.07 -1.21 -2.18 116.25 120.22 3sdh h VAL 34 Ca 0.04 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3sdh h VAL 34 Cb 0.03 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3sdh h VAL 34 CO -0.05 0.37 0.35 0.00 0.02 0.00 0.00 177.57 178.27 3sdh h ALA 35 N 1.22 0.81 -0.43 1.67 0.00 -1.05 0.16 119.26 121.64 3sdh h ALA 35 Ca 0.14 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3sdh h ALA 35 Cb 0.50 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3sdh h ALA 35 CO 0.03 0.33 0.19 1.25 0.00 0.00 0.00 179.25 181.04 3sdh h LEU 36 N 0.87 0.25 -0.14 0.00 5.85 -0.76 -0.36 115.31 121.01 3sdh h LEU 36 Ca 0.22 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3sdh h LEU 36 Cb 0.04 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3sdh h LEU 36 CO -0.04 0.18 -0.08 0.24 -0.34 0.00 0.00 178.44 178.40 3sdh h MET 37 N 0.38 0.30 -0.13 1.25 2.86 -1.08 -1.09 114.93 117.42 3sdh h MET 37 Ca 0.19 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3sdh h MET 37 Cb 0.13 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3sdh h MET 37 CO -0.16 0.64 -0.11 1.79 1.06 0.00 0.00 176.91 180.14 3sdh h THR 38 N -0.04 1.16 -0.48 2.22 1.35 -0.90 -0.69 112.91 115.52 3sdh h THR 38 Ca 0.03 -0.68 -0.08 0.00 -0.55 0.00 0.00 66.41 65.12 3sdh h THR 38 Cb 0.56 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 3sdh h THR 38 CO 0.02 0.21 -0.02 0.74 -0.25 0.00 0.00 175.52 176.23 3sdh h THR 39 N 0.20 1.26 -0.38 6.82 2.02 -0.89 -0.23 112.91 121.72 3sdh h THR 39 Ca 0.04 -1.09 0.07 0.00 0.77 0.00 0.00 66.41 66.19 3sdh h THR 39 Cb 0.32 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 3sdh h THR 39 CO 0.02 0.38 0.01 0.25 0.37 0.00 0.00 175.52 176.55 3sdh h LEU 40 N 0.71 -0.13 -0.77 2.58 5.85 -0.45 -1.05 115.31 122.04 3sdh h LEU 40 Ca 0.13 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3sdh h LEU 40 Cb 0.53 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3sdh h LEU 40 CO 0.03 -0.03 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.55 3sdh h PHE 41 N 0.12 0.69 -0.15 1.25 0.04 -0.95 0.29 116.94 118.22 3sdh h PHE 41 Ca 0.18 -0.17 -0.20 0.00 2.80 0.00 0.00 57.97 60.59 3sdh h PHE 41 Cb 0.25 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.25 3sdh h PHE 41 CO -0.25 0.83 -0.67 0.00 -0.60 0.00 0.00 178.31 177.62 3sdh h ALA 42 N 1.16 0.29 0.00 2.45 0.00 -0.77 -3.15 119.26 119.24 3sdh h ALA 42 Ca 0.07 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3sdh h ALA 42 Cb 0.76 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3sdh h ALA 42 CO 0.06 0.59 -0.87 -0.44 0.00 0.00 0.00 179.25 178.59 3sdh h ASP 43 N 0.43 0.00 -2.05 0.00 3.32 -1.13 -3.39 116.42 113.60 3sdh h ASP 43 Ca -0.04 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.46 3sdh h ASP 43 Cb 1.30 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.45 3sdh h ASP 43 CO 0.14 0.27 -1.02 0.59 -1.72 0.00 0.00 179.24 177.49 3sdh n ASN 44 N -2.91 1.17 0.12 6.45 4.13 0.10 -4.95 115.26 119.36 3sdh n ASN 44 Ca -0.02 -2.95 0.18 0.00 1.68 0.00 0.00 54.58 53.47 3sdh n ASN 44 Cb 0.67 -0.63 0.74 0.00 -1.54 0.00 0.00 39.78 39.02 3sdh n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 3sdh h GLN 45 N 3.70 0.00 0.00 3.52 4.20 -1.74 -1.00 115.11 123.80 3sdh h GLN 45 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3sdh h GLN 45 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3sdh h GLN 45 CO 0.55 0.00 0.00 -0.85 -0.67 0.00 0.00 178.83 177.86 3sdh n GLU 46 N -4.09 0.06 0.02 1.46 0.00 -1.26 -1.97 120.64 114.86 3sdh n GLU 46 Ca 0.05 0.22 0.11 0.00 0.00 0.00 0.00 57.16 57.55 3sdh n GLU 46 Cb 0.45 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.46 3sdh n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3sdh n THR 47 N -1.44 0.12 -0.27 3.84 -2.24 -0.38 -4.45 114.28 109.47 3sdh n THR 47 Ca 0.04 -0.16 0.10 0.00 -2.27 0.00 0.00 64.05 61.77 3sdh n THR 47 Cb 0.15 0.30 0.36 0.00 -2.10 0.00 0.00 70.33 69.03 3sdh n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3sdh h ILE 48 N 0.00 0.87 -0.55 2.28 2.04 -1.55 -2.60 117.51 118.00 3sdh h ILE 48 Ca 0.00 -0.25 0.14 0.00 1.00 0.00 0.00 64.86 65.74 3sdh h ILE 48 Cb 0.65 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3sdh h ILE 48 CO 0.00 0.14 0.39 1.23 0.00 0.00 0.00 178.15 179.90 3sdh h GLY 49 N 0.74 0.21 2.00 5.37 0.00 -1.80 -0.03 103.07 109.57 3sdh h GLY 49 Ca 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3sdh h GLY 49 CO -0.20 0.03 0.00 -0.97 0.00 0.00 0.00 176.54 175.40 3sdh h TYR 50 N 0.14 0.00 -0.60 5.60 0.05 -1.78 -3.15 116.97 117.23 3sdh h TYR 50 Ca 0.26 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.81 3sdh h TYR 50 Cb 0.85 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.45 3sdh h TYR 50 CO -0.00 0.00 0.20 1.19 -1.05 0.00 0.00 178.16 178.50 3sdh n PHE 51 N -3.04 1.93 -0.35 4.88 3.72 -0.02 -4.68 117.46 119.90 3sdh n PHE 51 Ca -0.00 -1.41 0.23 0.00 -0.05 0.00 0.00 57.45 56.22 3sdh n PHE 51 Cb 0.23 -0.62 0.47 0.00 -0.94 0.00 0.00 39.48 38.62 3sdh n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3sdh h LYS 52 N 1.67 0.38 0.00 -1.08 3.64 -1.66 0.98 116.57 120.50 3sdh h LYS 52 Ca 0.29 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3sdh h LYS 52 Cb 2.10 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.84 3sdh h LYS 52 CO 0.63 0.25 -0.03 -0.09 -2.27 0.00 0.00 179.45 177.94 3sdh h ARG 53 N 0.39 0.00 -0.00 1.90 2.43 -1.91 -2.07 114.38 115.12 3sdh h ARG 53 Ca 0.69 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.86 3sdh h ARG 53 Cb 1.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 3sdh h ARG 53 CO -0.50 0.03 -0.03 1.28 -1.51 0.00 0.00 179.97 179.24 3sdh n LEU 54 N -4.23 0.04 0.00 3.80 4.77 0.34 -5.00 117.00 116.72 3sdh n LEU 54 Ca -0.03 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3sdh n LEU 54 Cb 0.11 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3sdh n LEU 54 CO 0.32 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3sdh n GLY 55 N 1.43 0.51 3.51 -0.72 0.00 -0.78 -4.47 105.19 104.67 3sdh n GLY 55 Ca 0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3sdh n GLY 55 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3sdh s ASN 56 N -4.00 6.45 0.52 1.61 2.47 -1.26 -4.85 114.94 115.88 3sdh s ASN 56 Ca 0.00 -1.43 0.34 0.00 0.42 0.00 0.00 52.86 52.19 3sdh s ASN 56 Cb 0.00 -2.50 1.50 0.00 -1.45 0.00 0.00 41.25 38.80 3sdh s ASN 56 CO 0.00 -1.42 2.00 -0.37 -3.72 0.00 0.00 177.10 173.60 3sdh h VAL 57 N 6.30 0.00 0.00 -5.21 -1.51 -1.94 -2.27 116.25 111.62 3sdh h VAL 57 Ca 0.06 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 3sdh h VAL 57 Cb 1.03 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 3sdh h VAL 57 CO 1.28 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 176.08 3sdh n SER 58 N -2.94 0.49 0.17 4.19 3.41 -1.26 -1.71 113.62 115.97 3sdh n SER 58 Ca 0.00 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3sdh n SER 58 Cb 0.25 -0.74 0.46 0.00 -0.26 0.00 0.00 64.21 63.91 3sdh n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3sdh h GLN 59 N 0.00 0.00 0.00 4.33 4.20 -1.83 -3.48 115.11 118.33 3sdh h GLN 59 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3sdh h GLN 59 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3sdh h GLN 59 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 3sdh n GLY 60 N 0.57 2.94 0.32 3.46 0.00 -0.70 -2.52 105.19 109.26 3sdh n GLY 60 Ca 0.03 -0.26 0.19 0.00 0.00 0.00 0.00 46.02 45.98 3sdh n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3sdh h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.92 -1.82 114.93 114.65 3sdh h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3sdh h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 3sdh h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 3sdh h ALA 62 N 1.97 1.00 -2.20 0.39 0.00 -1.91 -3.42 119.26 115.09 3sdh h ALA 62 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3sdh h ALA 62 Cb 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.69 3sdh h ALA 62 CO -0.00 0.00 0.19 1.21 0.00 0.00 0.00 179.25 180.65 3sdh s ASN 63 N -4.58 6.38 0.21 0.00 3.84 -0.68 -4.94 114.94 115.17 3sdh s ASN 63 Ca 0.08 -0.13 -0.10 0.00 0.21 0.00 0.00 52.86 52.93 3sdh s ASN 63 Cb 0.11 -2.34 0.16 0.00 -0.55 0.00 0.00 41.25 38.63 3sdh s ASN 63 CO 0.53 -0.75 1.86 0.44 -2.79 0.00 0.00 177.10 176.38 3sdh h ASP 64 N 8.76 0.93 -0.46 -4.21 3.32 -1.86 0.89 116.42 123.79 3sdh h ASP 64 Ca -0.26 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.71 3sdh h ASP 64 Cb 1.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 3sdh h ASP 64 CO 0.89 0.72 0.19 0.11 -1.72 0.00 0.00 179.24 179.43 3sdh h LYS 65 N 1.07 0.68 -0.81 3.56 1.57 -1.92 -0.59 116.57 120.13 3sdh h LYS 65 Ca 0.28 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3sdh h LYS 65 Cb -0.05 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3sdh h LYS 65 CO -0.05 0.62 0.42 1.25 -0.57 0.00 0.00 179.45 181.11 3sdh h LEU 66 N 0.60 1.04 -0.51 2.94 5.85 -1.66 -0.89 115.31 122.68 3sdh h LEU 66 Ca 0.15 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3sdh h LEU 66 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3sdh h LEU 66 CO -0.01 0.86 0.24 -0.09 -0.34 0.00 0.00 178.44 179.09 3sdh h ARG 67 N 1.14 0.73 -0.69 1.25 2.43 -0.63 0.55 114.38 119.17 3sdh h ARG 67 Ca 0.28 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 3sdh h ARG 67 Cb 0.07 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3sdh h ARG 67 CO -0.04 0.62 0.19 0.78 -1.51 0.00 0.00 179.97 180.01 3sdh h GLY 68 N 0.67 1.17 0.93 2.80 0.00 -0.89 -0.89 103.07 106.86 3sdh h GLY 68 Ca 0.17 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3sdh h GLY 68 CO -0.02 0.67 0.09 0.84 0.00 0.00 0.00 176.54 178.11 3sdh h HIS 69 N 1.02 0.24 -0.37 5.60 -0.00 -1.00 -2.22 115.15 118.41 3sdh h HIS 69 Ca 0.22 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.54 3sdh h HIS 69 Cb 0.34 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 3sdh h HIS 69 CO 0.03 0.25 0.09 0.77 -0.00 0.00 0.00 177.93 179.06 3sdh h SER 70 N 0.16 0.57 -0.53 3.26 0.02 -0.60 0.52 113.55 116.94 3sdh h SER 70 Ca 0.06 -0.23 0.06 0.00 -0.84 0.00 0.00 61.79 60.83 3sdh h SER 70 Cb 0.09 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 3sdh h SER 70 CO -0.01 0.65 0.25 0.40 -1.14 0.00 0.00 176.83 176.98 3sdh h ILE 71 N 0.46 0.91 -0.74 3.27 2.04 -1.18 -2.54 117.51 119.73 3sdh h ILE 71 Ca 0.12 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3sdh h ILE 71 Cb 0.31 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3sdh h ILE 71 CO 0.00 0.09 0.37 0.74 0.00 0.00 0.00 178.15 179.35 3sdh h THR 72 N 0.48 1.23 -0.73 -0.27 2.02 -1.02 -0.92 112.91 113.70 3sdh h THR 72 Ca 0.24 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3sdh h THR 72 Cb 0.19 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3sdh h THR 72 CO -0.19 0.27 0.49 0.25 0.37 0.00 0.00 175.52 176.70 3sdh h LEU 73 N 1.04 0.83 -1.17 2.58 6.46 -0.66 -1.66 115.31 122.74 3sdh h LEU 73 Ca 0.26 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.91 3sdh h LEU 73 Cb 0.09 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3sdh h LEU 73 CO -0.04 0.60 -0.35 0.24 -0.62 0.00 0.00 178.44 178.28 3sdh h MET 74 N 0.98 0.12 0.00 1.25 2.86 -0.76 -1.14 114.93 118.24 3sdh h MET 74 Ca 0.27 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3sdh h MET 74 Cb -0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3sdh h MET 74 CO -0.06 0.46 -0.27 1.88 1.06 0.00 0.00 176.91 179.98 3sdh h TYR 75 N 0.10 0.00 -0.37 -0.22 0.05 -0.87 -0.38 116.97 115.28 3sdh h TYR 75 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3sdh h TYR 75 Cb 0.67 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 3sdh h TYR 75 CO 0.01 0.27 0.12 0.00 -1.05 0.00 0.00 178.16 177.50 3sdh h ALA 76 N 1.73 0.49 -0.56 3.88 0.00 -0.49 -1.32 119.26 122.99 3sdh h ALA 76 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.76 3sdh h ALA 76 Cb 0.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3sdh h ALA 76 CO 0.03 0.13 0.35 -0.07 0.00 0.00 0.00 179.25 179.70 3sdh h LEU 77 N 0.46 0.59 -0.61 0.00 3.38 -1.11 -1.28 115.31 116.74 3sdh h LEU 77 Ca 0.12 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.19 3sdh h LEU 77 Cb 0.25 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3sdh h LEU 77 CO -0.00 0.42 0.20 -0.61 0.09 0.00 0.00 178.44 178.54 3sdh h GLN 78 N 0.71 0.35 -0.13 1.13 5.75 -0.96 -1.23 115.11 120.73 3sdh h GLN 78 Ca 0.22 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 3sdh h GLN 78 Cb -0.03 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 3sdh h GLN 78 CO -0.07 0.23 -0.15 -0.97 -2.65 0.00 0.00 178.83 175.22 3sdh h ASN 79 N 0.37 -0.47 -0.37 -0.69 -0.73 -0.90 0.26 115.58 113.05 3sdh h ASN 79 Ca 0.31 0.09 0.04 0.00 1.87 0.00 0.00 56.30 58.61 3sdh h ASN 79 Cb 0.41 0.23 -0.04 0.00 0.27 0.00 0.00 38.32 39.19 3sdh h ASN 79 CO -0.33 -0.20 0.13 -0.26 -0.37 0.00 0.00 177.43 176.40 3sdh h PHE 80 N -0.19 0.22 -0.86 0.67 0.04 -0.63 -1.37 116.94 114.83 3sdh h PHE 80 Ca 0.10 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 3sdh h PHE 80 Cb 0.32 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3sdh h PHE 80 CO -0.27 0.09 0.48 0.82 -0.60 0.00 0.00 178.31 178.83 3sdh h ILE 81 N 0.28 1.25 0.00 -0.55 1.08 -0.93 -1.75 117.51 116.88 3sdh h ILE 81 Ca 0.17 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3sdh h ILE 81 Cb 0.14 0.08 -0.00 0.00 -3.07 0.00 0.00 36.82 33.97 3sdh h ILE 81 CO -0.17 0.28 -0.12 0.44 -0.69 0.00 0.00 178.15 177.89 3sdh h ASP 82 N 1.20 0.00 -0.18 1.72 3.32 -0.15 -2.40 116.42 119.93 3sdh h ASP 82 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3sdh h ASP 82 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3sdh h ASP 82 CO -0.05 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.59 3sdh n GLN 83 N -3.45 1.79 0.24 3.56 1.13 -0.59 -4.41 117.38 115.65 3sdh n GLN 83 Ca -0.01 -1.18 0.08 0.00 -1.94 0.00 0.00 57.00 53.95 3sdh n GLN 83 Cb 0.28 -1.40 0.60 0.00 0.11 0.00 0.00 30.24 29.83 3sdh n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3sdh h LEU 84 N 2.39 0.00 -1.66 1.08 3.38 -1.20 -2.06 115.31 117.24 3sdh h LEU 84 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3sdh h LEU 84 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3sdh h LEU 84 CO 0.00 0.14 0.20 0.44 0.09 0.00 0.00 178.44 179.31 3sdh h ASP 85 N 0.00 0.38 -3.55 -0.43 3.32 -1.82 -3.40 116.42 110.91 3sdh h ASP 85 Ca -0.00 -0.01 -0.61 0.00 0.02 0.00 0.00 57.03 56.42 3sdh h ASP 85 Cb 0.28 -0.09 -0.39 0.00 0.22 0.00 0.00 39.33 39.34 3sdh h ASP 85 CO 0.02 0.29 -0.77 0.21 -1.72 0.00 0.00 179.24 177.26 3sdh s ASN 86 N -6.76 4.01 0.46 6.45 3.84 -0.78 -5.01 114.94 117.15 3sdh s ASN 86 Ca -0.08 -1.41 0.13 0.00 0.21 0.00 0.00 52.86 51.71 3sdh s ASN 86 Cb 0.17 -1.18 1.05 0.00 -0.55 0.00 0.00 41.25 40.74 3sdh s ASN 86 CO 0.72 -0.29 2.05 1.55 -2.79 0.00 0.00 177.10 178.33 3sdh h PRO 87 N 7.93 0.11 -0.18 0.43 0.13 -1.79 -0.36 132.00 138.26 3sdh h PRO 87 Ca -0.15 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.84 3sdh h PRO 87 Cb 1.05 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3sdh h PRO 87 CO 0.44 0.17 -0.43 -0.44 -0.23 0.00 0.00 178.00 177.50 3sdh h ASP 88 N 0.11 0.47 -0.07 1.44 3.32 -1.95 -0.87 116.42 118.87 3sdh h ASP 88 Ca 0.03 -0.21 -0.18 0.00 0.02 0.00 0.00 57.03 56.69 3sdh h ASP 88 Cb 0.16 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.59 3sdh h ASP 88 CO 0.01 0.85 -0.64 0.44 -1.72 0.00 0.00 179.24 178.17 3sdh h ASP 89 N 0.36 0.68 -0.39 6.45 3.32 -1.64 -2.55 116.42 122.66 3sdh h ASP 89 Ca 0.03 -0.69 0.05 0.00 0.02 0.00 0.00 57.03 56.44 3sdh h ASP 89 Cb 0.91 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 3sdh h ASP 89 CO 0.08 1.27 0.12 0.25 -1.72 0.00 0.00 179.24 179.24 3sdh h LEU 90 N 0.16 0.12 -0.63 1.55 5.85 -0.99 -2.36 115.31 119.00 3sdh h LEU 90 Ca -0.06 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.73 3sdh h LEU 90 Cb 1.31 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 3sdh h LEU 90 CO 0.13 0.10 0.39 0.58 -0.34 0.00 0.00 178.44 179.30 3sdh h VAL 91 N 0.28 1.08 0.00 1.05 2.07 -1.18 0.45 116.25 120.00 3sdh h VAL 91 Ca 0.18 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3sdh h VAL 91 Cb 0.17 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3sdh h VAL 91 CO -0.20 0.14 -0.31 0.00 0.02 0.00 0.00 177.57 177.23 3sdh h VAL 93 N 0.00 1.36 -0.19 0.00 2.07 -1.11 -2.44 116.25 115.94 3sdh h VAL 93 Ca -0.00 -2.61 0.01 0.00 0.82 0.00 0.00 66.70 64.92 3sdh h VAL 93 Cb 0.56 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 3sdh h VAL 93 CO 0.04 0.78 0.10 0.58 0.02 0.00 0.00 177.57 179.09 3sdh h VAL 94 N 0.21 1.00 -0.43 2.57 2.07 -0.55 -2.02 116.25 119.10 3sdh h VAL 94 Ca -0.16 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3sdh h VAL 94 Cb 1.87 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3sdh h VAL 94 CO 0.22 0.04 0.29 -0.33 0.02 0.00 0.00 177.57 177.80 3sdh h GLU 95 N 0.21 0.49 0.01 1.57 5.08 -0.81 0.25 114.58 121.38 3sdh h GLU 95 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3sdh h GLU 95 Cb 0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3sdh h GLU 95 CO -0.05 0.33 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.05 3sdh h LYS 96 N 0.51 -0.03 -0.08 2.33 3.11 -1.00 -1.95 116.57 119.45 3sdh h LYS 96 Ca 0.17 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.88 3sdh h LYS 96 Cb 0.06 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 3sdh h LYS 96 CO -0.04 -0.02 -0.54 0.74 -2.81 0.00 0.00 179.45 176.78 3sdh h PHE 97 N -0.03 0.30 -0.39 1.91 0.04 -0.96 -2.77 116.94 115.04 3sdh h PHE 97 Ca 0.01 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.71 3sdh h PHE 97 Cb 0.04 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.09 3sdh h PHE 97 CO -0.09 0.73 0.15 0.00 -0.60 0.00 0.00 178.31 178.50 3sdh h ALA 98 N 1.25 0.46 -0.93 2.45 0.00 -0.30 -1.96 119.26 120.24 3sdh h ALA 98 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3sdh h ALA 98 Cb 1.01 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 3sdh h ALA 98 CO 0.08 -0.23 0.56 0.28 0.00 0.00 0.00 179.25 179.94 3sdh h VAL 99 N 0.32 0.90 -0.45 0.00 2.07 -1.07 0.22 116.25 118.24 3sdh h VAL 99 Ca 0.17 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.48 3sdh h VAL 99 Cb 0.13 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3sdh h VAL 99 CO -0.16 0.16 0.31 0.78 0.02 0.00 0.00 177.57 178.68 3sdh h ASN 100 N 0.89 0.20 0.28 0.57 -0.26 -1.22 -1.93 115.58 114.11 3sdh h ASN 100 Ca 0.46 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.87 3sdh h ASN 100 Cb 0.46 -0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 37.64 3sdh h ASN 100 CO -0.27 0.12 -1.96 1.41 -1.06 0.00 0.00 177.43 175.67 3sdh n HIS 101 N -4.46 0.80 -0.27 1.19 8.25 -0.03 -3.90 115.22 116.79 3sdh n HIS 101 Ca 0.07 0.24 -0.03 0.00 -0.26 0.00 0.00 57.72 57.75 3sdh n HIS 101 Cb 0.36 -1.13 0.09 0.00 1.12 0.00 0.00 29.99 30.43 3sdh n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3sdh h ILE 102 N 0.02 1.11 0.00 1.59 2.04 -0.44 -1.12 117.51 120.70 3sdh h ILE 102 Ca -0.39 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3sdh h ILE 102 Cb 2.05 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3sdh h ILE 102 CO 0.06 0.17 -0.01 0.71 0.00 0.00 0.00 178.15 179.08 3sdh h THR 103 N 0.94 0.02 -0.35 -0.27 1.35 -1.52 -0.59 112.91 112.50 3sdh h THR 103 Ca 0.31 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3sdh h THR 103 Cb 0.02 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3sdh h THR 103 CO -0.11 0.01 0.00 0.54 -0.25 0.00 0.00 175.52 175.70 3sdh n ARG 104 N -3.10 2.21 -2.85 4.72 3.00 -0.66 -4.95 116.66 115.02 3sdh n ARG 104 Ca -0.00 -1.84 -0.15 0.00 -0.01 0.00 0.00 57.85 55.84 3sdh n ARG 104 Cb 0.24 -1.46 0.03 0.00 0.00 0.00 0.00 32.46 31.27 3sdh n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3sdh n LYS 105 N 1.04 -3.65 -3.27 5.56 4.76 -0.23 -4.99 118.16 117.38 3sdh n LYS 105 Ca 0.18 0.59 -0.40 0.00 -2.87 0.00 0.00 58.31 55.81 3sdh n LYS 105 Cb 0.49 -4.80 -0.08 0.00 -1.84 0.00 0.00 35.03 28.80 3sdh n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3sdh s ILE 106 N -3.01 5.09 0.68 -0.18 -1.09 -0.52 -5.03 121.20 117.14 3sdh s ILE 106 Ca 0.24 0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 59.42 3sdh s ILE 106 Cb -0.10 -3.80 0.05 0.00 -1.58 0.00 0.00 42.46 37.02 3sdh s ILE 106 CO 0.29 0.10 0.98 -0.94 -1.23 0.00 0.00 174.94 174.15 3sdh s SER 107 N 1.54 4.94 0.22 3.58 1.04 -1.26 -4.45 113.70 119.30 3sdh s SER 107 Ca 0.20 0.45 -0.09 0.00 0.48 0.00 0.00 55.95 57.00 3sdh s SER 107 Cb -0.16 -1.16 0.22 0.00 0.10 0.00 0.00 66.02 65.03 3sdh s SER 107 CO 0.09 -1.50 1.86 0.00 0.98 0.00 0.00 173.24 174.67 3sdh h ALA 108 N -0.50 1.02 -0.67 5.32 0.00 -1.87 -0.30 119.26 122.26 3sdh h ALA 108 Ca -0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3sdh h ALA 108 Cb 1.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3sdh h ALA 108 CO 0.60 0.31 0.39 0.00 0.00 0.00 0.00 179.25 180.54 3sdh h ALA 109 N 1.33 0.86 -0.44 0.00 0.00 -1.94 -1.24 119.26 117.83 3sdh h ALA 109 Ca 0.31 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3sdh h ALA 109 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3sdh h ALA 109 CO -0.11 0.35 -0.25 0.93 0.00 0.00 0.00 179.25 180.18 3sdh h GLU 110 N 0.92 0.93 -0.88 0.00 5.08 -1.82 -2.89 114.58 115.91 3sdh h GLU 110 Ca 0.24 -0.41 0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3sdh h GLU 110 Cb 0.01 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 3sdh h GLU 110 CO -0.04 1.07 0.55 0.35 -1.00 0.00 0.00 179.01 179.94 3sdh h PHE 111 N 0.79 1.02 0.00 4.33 3.57 -0.86 -1.31 116.94 124.48 3sdh h PHE 111 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3sdh h PHE 111 Cb 0.81 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3sdh h PHE 111 CO 0.05 0.53 0.03 0.41 -2.23 0.00 0.00 178.31 177.09 3sdh n GLY 112 N -1.33 -0.83 0.17 2.40 0.00 -0.48 -1.87 105.19 103.23 3sdh n GLY 112 Ca 0.13 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.46 3sdh n GLY 112 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3sdh h LYS 113 N 0.00 0.00 0.00 1.61 1.57 -1.24 -1.48 116.57 117.03 3sdh h LYS 113 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3sdh h LYS 113 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3sdh h LYS 113 CO 0.00 0.00 0.00 0.97 -0.57 0.00 0.00 179.45 179.85 3sdh h ILE 114 N 0.00 0.00 -0.77 1.86 6.09 -1.57 -3.26 117.51 119.86 3sdh h ILE 114 Ca 0.00 -0.41 -0.02 0.00 -1.37 0.00 0.00 64.86 63.06 3sdh h ILE 114 Cb 0.08 1.28 -0.04 0.00 0.47 0.00 0.00 36.82 38.62 3sdh h ILE 114 CO 0.00 0.00 0.41 0.78 -3.07 0.00 0.00 178.15 176.27 3sdh h ASN 115 N 0.00 0.96 0.23 2.19 -0.26 -1.51 -1.48 115.58 115.71 3sdh h ASN 115 Ca 0.00 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 3sdh h ASN 115 Cb 0.55 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3sdh h ASN 115 CO 0.00 0.78 -0.11 1.23 -1.06 0.00 0.00 177.43 178.27 3sdh h GLY 116 N 1.11 -0.32 0.82 2.83 0.00 -1.78 -0.67 103.07 105.06 3sdh h GLY 116 Ca 0.27 0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.76 3sdh h GLY 116 CO -0.04 -0.12 0.47 -2.55 0.00 0.00 0.00 176.54 174.30 3sdh h PRO 117 N -0.35 0.87 -0.29 4.80 0.11 -1.70 -1.17 132.00 134.28 3sdh h PRO 117 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3sdh h PRO 117 Cb 0.27 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3sdh h PRO 117 CO 0.05 0.58 0.15 0.82 -0.21 0.00 0.00 178.00 179.39 3sdh h ILE 118 N 0.90 1.13 -0.76 4.15 2.04 -1.06 -0.40 117.51 123.50 3sdh h ILE 118 Ca 0.31 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.90 3sdh h ILE 118 Cb 0.07 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 3sdh h ILE 118 CO -0.13 0.13 0.42 0.50 0.00 0.00 0.00 178.15 179.07 3sdh h LYS 119 N 0.34 0.70 -0.30 2.37 3.64 -0.58 0.19 116.57 122.93 3sdh h LYS 119 Ca 0.10 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3sdh h LYS 119 Cb 0.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3sdh h LYS 119 CO -0.02 0.46 0.04 0.87 -2.27 0.00 0.00 179.45 178.54 3sdh h LYS 120 N 0.72 0.51 -0.44 1.90 1.57 -0.75 0.44 116.57 120.53 3sdh h LYS 120 Ca 0.36 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3sdh h LYS 120 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3sdh h LYS 120 CO -0.24 0.62 0.19 0.28 -0.57 0.00 0.00 179.45 179.73 3sdh h VAL 121 N 0.32 1.20 -0.48 0.50 2.07 -0.77 -0.91 116.25 118.19 3sdh h VAL 121 Ca 0.09 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.08 3sdh h VAL 121 Cb 0.36 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3sdh h VAL 121 CO 0.01 0.22 0.20 -0.07 0.02 0.00 0.00 177.57 177.94 3sdh h LEU 122 N 0.56 0.23 -1.15 2.57 3.38 -0.86 -2.59 115.31 117.45 3sdh h LEU 122 Ca 0.15 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3sdh h LEU 122 Cb 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3sdh h LEU 122 CO -0.01 0.17 -0.06 0.00 0.09 0.00 0.00 178.44 178.62 3sdh h ALA 123 N 1.30 1.30 0.00 1.53 0.00 -0.49 -0.05 119.26 122.84 3sdh h ALA 123 Ca 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3sdh h ALA 123 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3sdh h ALA 123 CO -0.20 0.47 -0.00 0.66 0.00 0.00 0.00 179.25 180.17 3sdh h SER 124 N 0.49 0.00 -0.49 0.00 4.64 -0.77 -0.74 113.55 116.69 3sdh h SER 124 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3sdh h SER 124 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3sdh h SER 124 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3sdh n LYS 125 N -3.10 3.13 -2.37 4.77 4.76 -0.52 -4.97 118.16 119.87 3sdh n LYS 125 Ca -0.02 -2.54 -0.09 0.00 -2.87 0.00 0.00 58.31 52.80 3sdh n LYS 125 Cb 0.15 -1.60 0.01 0.00 -1.84 0.00 0.00 35.03 31.74 3sdh n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3sdh n ASN 126 N 0.72 -3.24 -4.29 4.39 2.85 -0.28 -5.02 115.26 110.39 3sdh n ASN 126 Ca 0.20 -0.06 -0.35 0.00 -0.11 0.00 0.00 54.58 54.25 3sdh n ASN 126 Cb 0.67 -2.34 -0.14 0.00 1.24 0.00 0.00 39.78 39.22 3sdh n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3sdh s PHE 127 N -2.61 3.03 0.00 1.20 0.40 -0.15 -5.00 117.98 114.85 3sdh s PHE 127 Ca 0.06 -1.11 0.00 0.00 -0.60 0.00 0.00 56.93 55.28 3sdh s PHE 127 Cb -0.03 -2.13 0.00 0.00 0.51 0.00 0.00 43.02 41.37 3sdh s PHE 127 CO 0.08 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 175.81 3sdh n GLY 128 N 4.78 0.65 0.38 4.36 0.00 -1.26 -2.79 105.19 111.31 3sdh n GLY 128 Ca -0.17 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.14 3sdh n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3sdh h ASP 129 N 0.00 0.63 -0.65 1.61 5.19 -1.98 -0.96 116.42 120.25 3sdh h ASP 129 Ca 0.00 0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.53 3sdh h ASP 129 Cb 0.00 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.39 3sdh h ASP 129 CO 0.00 0.28 0.35 0.50 -3.12 0.00 0.00 179.24 177.24 3sdh h LYS 130 N 0.64 0.61 -0.13 3.56 3.64 -1.99 0.12 116.57 123.02 3sdh h LYS 130 Ca 0.49 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.62 3sdh h LYS 130 Cb 0.89 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3sdh h LYS 130 CO -0.25 0.41 -0.77 1.88 -2.27 0.00 0.00 179.45 178.45 3sdh h TYR 131 N 0.63 1.04 -0.94 1.91 0.05 -1.53 -2.56 116.97 115.57 3sdh h TYR 131 Ca 0.30 -0.47 0.04 0.00 0.05 0.00 0.00 58.73 58.65 3sdh h TYR 131 Cb 0.22 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.75 3sdh h TYR 131 CO -0.09 1.30 0.61 0.00 -1.05 0.00 0.00 178.16 178.93 3sdh h ALA 132 N 0.53 1.42 -0.57 3.88 0.00 -0.80 -1.48 119.26 122.23 3sdh h ALA 132 Ca -0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3sdh h ALA 132 Cb 1.41 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3sdh h ALA 132 CO 0.16 0.48 -0.06 -0.97 0.00 0.00 0.00 179.25 178.86 3sdh h ASN 133 N 1.16 1.04 -0.26 0.00 -1.24 -0.75 -0.67 115.58 114.86 3sdh h ASN 133 Ca 0.38 -0.33 0.02 0.00 0.71 0.00 0.00 56.30 57.07 3sdh h ASN 133 Cb 0.05 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.79 3sdh h ASN 133 CO -0.12 1.12 0.13 0.00 -1.29 0.00 0.00 177.43 177.27 3sdh h ALA 134 N 0.95 0.31 -0.91 1.57 0.00 -1.03 -2.27 119.26 117.89 3sdh h ALA 134 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3sdh h ALA 134 Cb 0.63 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3sdh h ALA 134 CO 0.04 -0.27 0.57 -1.49 0.00 0.00 0.00 179.25 178.10 3sdh h TRP 135 N 0.27 1.17 -0.33 0.00 4.06 -1.05 -1.80 115.95 118.28 3sdh h TRP 135 Ca 0.11 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 3sdh h TRP 135 Cb 0.03 -0.39 -0.02 0.00 -1.00 0.00 0.00 29.16 27.78 3sdh h TRP 135 CO -0.09 0.76 0.13 0.00 -3.56 0.00 0.00 178.44 175.68 3sdh h ALA 136 N 1.38 1.61 -0.22 1.49 0.00 -0.78 -0.34 119.26 122.40 3sdh h ALA 136 Ca 0.33 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3sdh h ALA 136 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3sdh h ALA 136 CO -0.07 0.31 -0.19 0.87 0.00 0.00 0.00 179.25 180.17 3sdh h LYS 137 N 0.46 0.39 -0.11 0.00 1.57 -0.76 -0.08 116.57 118.05 3sdh h LYS 137 Ca 0.12 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3sdh h LYS 137 Cb 0.10 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.38 3sdh h LYS 137 CO -0.01 0.57 -0.44 1.25 -0.57 0.00 0.00 179.45 180.25 3sdh h LEU 138 N 0.36 0.57 -1.34 2.94 5.85 -1.01 -2.93 115.31 119.75 3sdh h LEU 138 Ca 0.06 -0.63 0.10 0.00 0.84 0.00 0.00 57.88 58.25 3sdh h LEU 138 Cb 0.54 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3sdh h LEU 138 CO 0.04 1.11 0.52 0.58 -0.34 0.00 0.00 178.44 180.34 3sdh h VAL 139 N 0.07 0.95 0.00 1.05 2.07 -0.94 -1.20 116.25 118.25 3sdh h VAL 139 Ca -0.02 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3sdh h VAL 139 Cb 1.08 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3sdh h VAL 139 CO 0.09 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 177.76 3sdh h ALA 140 N 1.60 1.66 -0.23 1.67 0.00 -0.82 -0.60 119.26 122.55 3sdh h ALA 140 Ca 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3sdh h ALA 140 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3sdh h ALA 140 CO -0.14 0.08 0.06 0.28 0.00 0.00 0.00 179.25 179.52 3sdh h VAL 141 N 0.00 1.21 -0.32 0.00 2.07 -1.14 -0.88 116.25 117.20 3sdh h VAL 141 Ca -0.00 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3sdh h VAL 141 Cb 0.13 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3sdh h VAL 141 CO 0.01 0.21 0.18 0.58 0.02 0.00 0.00 177.57 178.57 3sdh h VAL 142 N 0.18 1.12 -0.95 2.57 2.07 -1.20 -2.75 116.25 117.30 3sdh h VAL 142 Ca 0.07 -0.30 0.16 0.00 0.82 0.00 0.00 66.70 67.45 3sdh h VAL 142 Cb 0.27 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 3sdh h VAL 142 CO 0.00 0.12 0.55 1.56 0.02 0.00 0.00 177.57 179.83 3sdh h GLN 143 N 0.40 0.73 0.00 1.57 4.20 -0.98 -0.02 115.11 121.01 3sdh h GLN 143 Ca 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3sdh h GLN 143 Cb 0.04 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3sdh h GLN 143 CO -0.02 0.48 -0.04 0.00 -0.67 0.00 0.00 178.83 178.58 3sdh h ALA 144 N 1.60 1.51 -0.00 3.87 0.00 -0.85 -2.11 119.26 123.28 3sdh h ALA 144 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3sdh h ALA 144 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3sdh h ALA 144 CO -0.36 0.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.65 3sdh n ALA 145 N -2.34 3.11 1.24 0.00 0.00 -0.03 -4.43 120.51 118.06 3sdh n ALA 145 Ca -0.03 -0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.23 3sdh n ALA 145 Cb 0.13 -1.21 0.31 0.00 0.00 0.00 0.00 19.45 18.67 3sdh n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78