#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf9 n ASP 12 N 0.00 5.31 0.06 4.52 2.03 -1.26 -4.79 116.55 122.43 1sf9 n ASP 12 Ca 0.00 -3.02 0.06 0.00 0.52 0.00 0.00 54.79 52.36 1sf9 n ASP 12 Cb 0.00 -1.52 0.30 0.00 -0.72 0.00 0.00 41.12 39.18 1sf9 n ASP 12 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1sf9 n LEU 13 N 4.75 0.25 0.32 -2.67 7.94 -1.26 -1.76 117.00 124.58 1sf9 n LEU 13 Ca 0.34 0.59 0.21 0.00 -1.11 0.00 0.00 56.01 56.05 1sf9 n LEU 13 Cb 0.41 -0.60 1.08 0.00 0.53 0.00 0.00 43.42 44.84 1sf9 n LEU 13 CO 0.62 -0.57 1.13 1.23 -1.11 0.00 0.00 177.39 178.69 1sf9 h GLY 14 N 0.93 0.00 2.00 -3.96 0.00 -2.02 0.11 103.07 100.13 1sf9 h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sf9 h GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 175.63 1sf9 h THR 15 N 0.00 0.00 -0.55 4.70 1.35 -1.77 -1.51 112.91 115.13 1sf9 h THR 15 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1sf9 h THR 15 Cb 0.14 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1sf9 h THR 15 CO 0.00 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.65 1sf9 n GLU 16 N -2.65 4.30 -0.29 4.72 -0.58 0.37 -4.64 120.64 121.87 1sf9 n GLU 16 Ca -0.00 -2.83 0.12 0.00 -0.42 0.00 0.00 57.16 54.04 1sf9 n GLU 16 Cb 0.17 -2.11 0.28 0.00 -0.57 0.00 0.00 31.44 29.21 1sf9 n GLU 16 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1sf9 h ASN 17 N 3.70 0.05 0.66 1.62 -1.24 -1.39 0.16 115.58 119.15 1sf9 h ASN 17 Ca 0.00 0.19 -0.03 0.00 0.71 0.00 0.00 56.30 57.17 1sf9 h ASN 17 Cb 1.73 0.24 -0.00 0.00 0.73 0.00 0.00 38.32 41.01 1sf9 h ASN 17 CO 0.39 -0.12 -0.14 -0.07 -1.29 0.00 0.00 177.43 176.20 1sf9 h LEU 18 N 0.24 0.00 -0.26 0.34 3.38 -1.86 -1.08 115.31 116.07 1sf9 h LEU 18 Ca 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 1sf9 h LEU 18 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1sf9 h LEU 18 CO -0.62 0.14 0.09 0.22 0.09 0.00 0.00 178.44 178.36 1sf9 h TYR 19 N 0.00 0.41 -0.17 1.13 3.20 -1.32 0.22 116.97 120.43 1sf9 h TYR 19 Ca -0.00 -0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.67 1sf9 h TYR 19 Cb 0.51 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1sf9 h TYR 19 CO 0.00 0.43 -0.57 0.74 -1.64 0.00 0.00 178.16 177.13 1sf9 h PHE 20 N 0.26 0.66 -0.54 -3.82 -1.00 -1.37 -0.92 116.94 110.22 1sf9 h PHE 20 Ca 0.08 -0.24 -0.10 0.00 2.81 0.00 0.00 57.97 60.52 1sf9 h PHE 20 Cb 0.21 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 1sf9 h PHE 20 CO -0.00 0.97 -0.07 1.96 -1.61 0.00 0.00 178.31 179.56 1sf9 h GLN 21 N 0.40 1.00 -0.29 1.51 4.20 -1.10 -1.83 115.11 119.00 1sf9 h GLN 21 Ca 0.00 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 1sf9 h GLN 21 Cb 1.11 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1sf9 h GLN 21 CO 0.11 1.03 0.11 1.03 -0.67 0.00 0.00 178.83 180.43 1sf9 h SER 22 N 0.87 0.41 -0.56 1.46 0.87 -0.41 -1.06 113.55 115.12 1sf9 h SER 22 Ca 0.14 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1sf9 h SER 22 Cb 0.63 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1sf9 h SER 22 CO 0.04 0.48 0.19 0.78 -0.53 0.00 0.00 176.83 177.79 1sf9 h ASN 23 N 0.31 0.84 -0.42 6.23 2.35 -1.06 -0.97 115.58 122.86 1sf9 h ASN 23 Ca 0.09 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1sf9 h ASN 23 Cb 0.21 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1sf9 h ASN 23 CO -0.01 0.79 0.08 0.00 -1.65 0.00 0.00 177.43 176.64 1sf9 h ALA 24 N 1.33 0.56 -0.37 -0.83 0.00 -1.10 -0.64 119.26 118.21 1sf9 h ALA 24 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sf9 h ALA 24 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sf9 h ALA 24 CO -0.01 0.27 0.12 1.98 0.00 0.00 0.00 179.25 181.61 1sf9 h MET 25 N 0.56 0.57 -0.84 0.00 1.85 -0.91 -0.42 114.93 115.74 1sf9 h MET 25 Ca 0.13 -0.12 -0.03 0.00 -0.61 0.00 0.00 59.70 59.08 1sf9 h MET 25 Cb 0.36 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.26 1sf9 h MET 25 CO 0.01 0.57 0.41 0.93 -0.40 0.00 0.00 176.91 178.43 1sf9 h GLU 26 N 0.45 1.20 -0.53 0.39 5.08 -1.06 0.16 114.58 120.26 1sf9 h GLU 26 Ca 0.12 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1sf9 h GLU 26 Cb 0.24 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1sf9 h GLU 26 CO -0.01 0.91 0.21 -0.22 -1.00 0.00 0.00 179.01 178.91 1sf9 h LYS 27 N 1.18 0.78 0.09 2.33 3.64 -0.80 -0.63 116.57 123.16 1sf9 h LYS 27 Ca 0.29 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1sf9 h LYS 27 Cb 0.10 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1sf9 h LYS 27 CO -0.04 0.69 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.70 1sf9 h ARG 28 N 0.71 -0.11 0.00 1.90 2.43 -0.53 -3.06 114.38 115.72 1sf9 h ARG 28 Ca 0.18 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1sf9 h ARG 28 Cb 0.20 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1sf9 h ARG 28 CO -0.01 0.07 -0.32 1.88 -1.51 0.00 0.00 179.97 180.08 1sf9 h TYR 29 N -0.28 0.00 0.00 2.20 0.99 -0.59 -2.51 116.97 116.77 1sf9 h TYR 29 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1sf9 h TYR 29 Cb 0.24 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.97 1sf9 h TYR 29 CO -0.02 0.32 0.00 0.66 -0.00 0.00 0.00 178.16 179.12 1sf9 h SER 30 N 0.00 0.00 -0.02 3.88 4.64 -1.01 -2.56 113.55 118.49 1sf9 h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sf9 h SER 30 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1sf9 h SER 30 CO 0.04 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 175.78 1sf9 n GLN 31 N -2.95 1.58 -3.22 4.77 6.02 -0.95 -4.99 117.38 117.63 1sf9 n GLN 31 Ca -0.01 -1.14 -0.37 0.00 -0.01 0.00 0.00 57.00 55.46 1sf9 n GLN 31 Cb 0.17 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 1sf9 n GLN 31 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1sf9 s MET 32 N -1.81 4.21 0.82 -1.09 -1.94 -0.96 -5.07 119.30 113.45 1sf9 s MET 32 Ca 0.17 0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 54.80 1sf9 s MET 32 Cb 0.14 -3.10 0.08 0.00 2.01 0.00 0.00 34.83 33.97 1sf9 s MET 32 CO 0.35 0.55 1.09 0.95 -0.01 0.00 0.00 175.02 177.95 1sf9 s THR 33 N -1.28 3.01 0.31 2.05 -4.23 -1.26 -4.77 115.64 109.48 1sf9 s THR 33 Ca 0.35 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1sf9 s THR 33 Cb -0.18 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 70.97 1sf9 s THR 33 CO 0.20 -0.43 1.93 -0.65 -0.54 0.00 0.00 174.62 175.14 1sf9 h PRO 34 N -1.22 0.96 -0.56 3.99 0.11 -1.97 -0.61 132.00 132.69 1sf9 h PRO 34 Ca -0.47 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1sf9 h PRO 34 Cb 1.27 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1sf9 h PRO 34 CO 0.57 0.63 0.21 1.25 -0.21 0.00 0.00 178.00 180.45 1sf9 h HIS 35 N 0.99 0.87 -0.49 0.65 -0.00 -1.99 -0.43 115.15 114.74 1sf9 h HIS 35 Ca 0.36 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.60 1sf9 h HIS 35 Cb 0.15 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 1sf9 h HIS 35 CO -0.00 0.72 0.09 0.93 -0.00 0.00 0.00 177.93 179.67 1sf9 h GLU 36 N 0.77 0.76 -0.48 5.26 5.08 -1.64 -0.78 114.58 123.56 1sf9 h GLU 36 Ca 0.18 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1sf9 h GLU 36 Cb 0.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1sf9 h GLU 36 CO -0.01 0.71 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.55 1sf9 h LEU 37 N 0.73 0.92 -0.94 1.33 3.38 -0.71 -0.97 115.31 119.05 1sf9 h LEU 37 Ca 0.16 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1sf9 h LEU 37 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1sf9 h LEU 37 CO 0.00 1.05 0.25 0.78 0.09 0.00 0.00 178.44 180.62 1sf9 h ASN 38 N 0.76 0.95 -0.42 -0.43 2.35 -0.69 0.06 115.58 118.17 1sf9 h ASN 38 Ca 0.12 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1sf9 h ASN 38 Cb 0.64 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1sf9 h ASN 38 CO 0.04 0.86 0.10 0.74 -1.65 0.00 0.00 177.43 177.52 1sf9 h THR 39 N 1.00 1.23 -0.57 2.81 2.02 -0.89 -1.16 112.91 117.35 1sf9 h THR 39 Ca 0.23 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1sf9 h THR 39 Cb 0.22 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1sf9 h THR 39 CO -0.02 0.28 0.37 -0.33 0.37 0.00 0.00 175.52 176.19 1sf9 h GLU 40 N 0.54 0.76 -0.58 6.66 4.39 -0.74 -1.21 114.58 124.39 1sf9 h GLU 40 Ca 0.13 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 1sf9 h GLU 40 Cb 0.31 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1sf9 h GLU 40 CO 0.00 0.51 0.04 0.82 -1.16 0.00 0.00 179.01 179.22 1sf9 h ILE 41 N 0.77 1.26 -0.56 3.13 2.04 -0.86 -0.49 117.51 122.81 1sf9 h ILE 41 Ca 0.21 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1sf9 h ILE 41 Cb -0.07 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1sf9 h ILE 41 CO -0.04 0.39 0.14 0.00 0.00 0.00 0.00 178.15 178.64 1sf9 h ALA 42 N 1.12 0.74 -0.25 1.87 0.00 -0.78 0.31 119.26 122.27 1sf9 h ALA 42 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sf9 h ALA 42 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1sf9 h ALA 42 CO 0.02 0.44 0.07 1.25 0.00 0.00 0.00 179.25 181.03 1sf9 h LEU 43 N 0.80 0.37 -0.96 0.00 5.85 -0.98 -1.17 115.31 119.22 1sf9 h LEU 43 Ca 0.18 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1sf9 h LEU 43 Cb 0.33 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1sf9 h LEU 43 CO 0.00 0.49 0.46 -0.07 -0.34 0.00 0.00 178.44 178.98 1sf9 h LEU 44 N 0.23 1.07 -0.81 2.25 3.38 -0.92 -2.17 115.31 118.34 1sf9 h LEU 44 Ca 0.08 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1sf9 h LEU 44 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1sf9 h LEU 44 CO -0.00 0.86 -0.04 0.28 0.09 0.00 0.00 178.44 179.63 1sf9 h SER 45 N 1.20 0.84 -0.58 -0.43 0.02 -0.69 0.05 113.55 113.96 1sf9 h SER 45 Ca 0.30 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1sf9 h SER 45 Cb 0.04 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1sf9 h SER 45 CO -0.05 0.92 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.43 1sf9 h GLU 46 N 0.79 1.05 -0.33 3.45 4.57 -0.85 -0.48 114.58 122.78 1sf9 h GLU 46 Ca 0.14 -0.36 -0.09 0.00 -1.18 0.00 0.00 59.36 57.87 1sf9 h GLU 46 Cb 0.53 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1sf9 h GLU 46 CO 0.03 1.06 -0.17 0.87 -1.18 0.00 0.00 179.01 179.62 1sf9 h LYS 47 N 0.94 0.59 -0.39 1.92 1.57 -1.01 -2.47 116.57 117.72 1sf9 h LYS 47 Ca 0.16 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1sf9 h LYS 47 Cb 0.62 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1sf9 h LYS 47 CO 0.04 0.74 -0.28 0.00 -0.57 0.00 0.00 179.45 179.37 1sf9 h ALA 48 N 1.28 0.76 -0.74 3.86 0.00 -0.69 -1.40 119.26 122.33 1sf9 h ALA 48 Ca 0.09 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sf9 h ALA 48 Cb 0.59 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1sf9 h ALA 48 CO 0.04 0.66 0.46 -0.09 0.00 0.00 0.00 179.25 180.32 1sf9 h ARG 49 N 0.71 1.00 -0.55 0.00 2.43 -0.84 0.17 114.38 117.30 1sf9 h ARG 49 Ca 0.08 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1sf9 h ARG 49 Cb 0.83 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1sf9 h ARG 49 CO 0.07 0.69 -0.05 0.87 -1.51 0.00 0.00 179.97 180.05 1sf9 h LYS 50 N 1.01 1.00 -0.74 0.20 1.57 -1.18 -0.74 116.57 117.70 1sf9 h LYS 50 Ca 0.27 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1sf9 h LYS 50 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1sf9 h LYS 50 CO -0.05 1.03 0.23 0.00 -0.57 0.00 0.00 179.45 180.08 1sf9 h ALA 51 N 0.94 0.97 -0.59 3.86 0.00 -0.62 -2.78 119.26 121.04 1sf9 h ALA 51 Ca 0.15 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1sf9 h ALA 51 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1sf9 h ALA 51 CO 0.04 0.65 0.04 1.49 0.00 0.00 0.00 179.25 181.47 1sf9 h GLU 52 N 1.10 0.99 0.00 0.00 4.81 -0.34 0.13 114.58 121.26 1sf9 h GLU 52 Ca 0.24 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1sf9 h GLU 52 Cb 0.31 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1sf9 h GLU 52 CO -0.01 0.95 0.00 1.96 -0.73 0.00 0.00 179.01 181.18 1sf9 h GLN 53 N 0.92 0.00 -0.26 1.92 4.20 -0.92 -2.53 115.11 118.44 1sf9 h GLN 53 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1sf9 h GLN 53 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1sf9 h GLN 53 CO 0.02 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.90 1sf9 n HIS 54 N -2.89 0.33 -2.56 2.96 8.25 -1.02 -4.99 115.22 115.31 1sf9 n HIS 54 Ca 0.01 -0.30 -0.19 0.00 -0.26 0.00 0.00 57.72 56.98 1sf9 n HIS 54 Cb 0.26 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.36 1sf9 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf9 n GLY 55 N 0.74 -0.40 3.33 -1.41 0.00 -0.70 -4.90 105.19 101.85 1sf9 n GLY 55 Ca 0.12 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1sf9 n GLY 55 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sf9 n ILE 56 N -4.15 4.32 -0.21 -0.61 2.08 -0.05 -4.85 119.36 115.88 1sf9 n ILE 56 Ca -0.18 -4.73 -0.02 0.00 0.56 0.00 0.00 62.75 58.38 1sf9 n ILE 56 Cb 0.65 -2.44 0.09 0.00 -0.75 0.00 0.00 39.64 37.19 1sf9 n ILE 56 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1sf9 h ILE 57 N 4.37 0.91 0.00 1.39 1.08 -1.91 -0.98 117.51 122.38 1sf9 h ILE 57 Ca 0.32 -0.20 -0.07 0.00 -0.39 0.00 0.00 64.86 64.52 1sf9 h ILE 57 Cb 0.82 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1sf9 h ILE 57 CO 1.31 0.11 -0.34 -1.13 -0.69 0.00 0.00 178.15 177.40 1sf9 h ASN 58 N 0.58 0.00 0.79 1.72 -0.73 -1.99 -0.60 115.58 115.36 1sf9 h ASN 58 Ca 0.29 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.28 1sf9 h ASN 58 Cb 0.23 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1sf9 h ASN 58 CO -0.21 0.34 -0.84 -0.33 -0.37 0.00 0.00 177.43 176.02 1sf9 h GLU 59 N 0.00 0.03 -0.23 6.67 5.08 -1.86 -2.60 114.58 121.67 1sf9 h GLU 59 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 1sf9 h GLU 59 Cb 0.91 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1sf9 h GLU 59 CO 0.04 0.85 -0.45 1.25 -1.00 0.00 0.00 179.01 179.71 1sf9 h LEU 60 N 0.02 0.80 -0.64 1.33 5.85 -0.84 -2.73 115.31 119.11 1sf9 h LEU 60 Ca -0.02 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 58.07 1sf9 h LEU 60 Cb 1.48 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1sf9 h LEU 60 CO 0.11 1.19 0.01 0.00 -0.34 0.00 0.00 178.44 179.42 1sf9 h ALA 61 N 0.63 0.85 -0.44 1.25 0.00 -1.09 0.11 119.26 120.57 1sf9 h ALA 61 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1sf9 h ALA 61 Cb 1.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1sf9 h ALA 61 CO 0.10 0.67 0.24 0.28 0.00 0.00 0.00 179.25 180.54 1sf9 h VAL 62 N 0.98 1.17 -0.58 0.00 2.07 -1.47 -0.91 116.25 117.51 1sf9 h VAL 62 Ca 0.18 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1sf9 h VAL 62 Cb 0.55 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1sf9 h VAL 62 CO 0.03 0.18 0.10 -0.07 0.02 0.00 0.00 177.57 177.83 1sf9 h LEU 63 N 0.58 0.91 -0.98 2.57 3.38 -1.25 -2.44 115.31 118.08 1sf9 h LEU 63 Ca 0.16 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1sf9 h LEU 63 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1sf9 h LEU 63 CO -0.02 0.93 -0.35 -0.33 0.09 0.00 0.00 178.44 178.75 1sf9 h GLU 64 N 0.85 0.29 -0.31 1.13 4.39 -0.70 -0.57 114.58 119.65 1sf9 h GLU 64 Ca 0.18 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 1sf9 h GLU 64 Cb 0.40 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 1sf9 h GLU 64 CO 0.01 0.61 -0.15 0.00 -1.16 0.00 0.00 179.01 178.33 1sf9 h ARG 65 N 0.25 0.54 -0.52 2.33 3.08 -0.93 -0.96 114.38 118.17 1sf9 h ARG 65 Ca 0.03 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1sf9 h ARG 65 Cb 0.75 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1sf9 h ARG 65 CO 0.06 0.67 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.28 1sf9 h LYS 66 N 0.49 1.00 -0.36 0.04 3.64 -0.86 -2.31 116.57 118.21 1sf9 h LYS 66 Ca 0.09 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1sf9 h LYS 66 Cb 0.54 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1sf9 h LYS 66 CO 0.03 1.07 0.14 0.82 -2.27 0.00 0.00 179.45 179.24 1sf9 h ILE 67 N 0.87 1.19 -0.95 2.00 2.04 -0.84 0.21 117.51 122.04 1sf9 h ILE 67 Ca 0.13 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.46 1sf9 h ILE 67 Cb 0.70 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1sf9 h ILE 67 CO 0.05 0.21 0.61 0.74 0.00 0.00 0.00 178.15 179.77 1sf9 h THR 68 N 0.43 1.04 -0.15 -0.27 2.02 -1.08 0.19 112.91 115.10 1sf9 h THR 68 Ca 0.12 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.84 1sf9 h THR 68 Cb 0.20 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1sf9 h THR 68 CO -0.01 0.19 -0.28 0.24 0.37 0.00 0.00 175.52 176.03 1sf9 h MET 69 N 1.06 0.45 -0.87 6.66 2.86 -0.90 -2.66 114.93 121.53 1sf9 h MET 69 Ca 0.42 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1sf9 h MET 69 Cb 0.25 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1sf9 h MET 69 CO -0.17 0.89 0.56 0.00 1.06 0.00 0.00 176.91 179.24 1sf9 h ALA 70 N 0.56 1.14 -0.25 6.32 0.00 -0.42 -0.98 119.26 125.63 1sf9 h ALA 70 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sf9 h ALA 70 Cb 0.87 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sf9 h ALA 70 CO 0.06 0.40 0.09 0.87 0.00 0.00 0.00 179.25 180.67 1sf9 h LYS 71 N 1.08 0.34 0.00 0.00 1.57 -0.93 -1.43 116.57 117.21 1sf9 h LYS 71 Ca 0.35 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.03 1sf9 h LYS 71 Cb 0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1sf9 h LYS 71 CO -0.12 0.30 -0.28 0.00 -0.57 0.00 0.00 179.45 178.78 1sf9 h ALA 72 N 1.76 1.34 0.00 3.86 0.00 -0.81 -2.36 119.26 123.05 1sf9 h ALA 72 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sf9 h ALA 72 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1sf9 h ALA 72 CO -0.01 0.35 0.00 1.88 0.00 0.00 0.00 179.25 181.47 1sf9 h TYR 73 N 0.00 0.00 0.00 0.00 -1.99 -1.09 -2.94 116.97 110.95 1sf9 h TYR 73 Ca -0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1sf9 h TYR 73 Cb 0.57 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 1sf9 h TYR 73 CO 0.00 0.00 -0.70 -0.07 -0.00 0.00 0.00 178.16 177.39 1sf9 h LEU 74 N 0.00 0.00-10.58 3.88 3.38 -1.36 -3.47 115.31 107.16 1sf9 h LEU 74 Ca 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1sf9 h LEU 74 Cb 0.61 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.45 1sf9 h LEU 74 CO 0.00 0.43 0.37 -0.76 0.09 0.00 0.00 178.44 178.57 1sf9 s LEU 75 N -6.20 2.65 -0.26 1.67 1.43 -1.11 -5.06 118.68 111.81 1sf9 s LEU 75 Ca 0.02 0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1sf9 s LEU 75 Cb 0.08 -3.36 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1sf9 s LEU 75 CO 0.76 -1.72 -0.02 0.21 0.23 0.00 0.00 176.35 175.81 1sf9 s ASN 76 N -4.52 4.55 0.50 2.29 3.84 -1.26 -4.98 114.94 115.36 1sf9 s ASN 76 Ca 0.61 -0.73 0.28 0.00 0.21 0.00 0.00 52.86 53.22 1sf9 s ASN 76 Cb -0.11 -1.74 1.38 0.00 -0.55 0.00 0.00 41.25 40.22 1sf9 s ASN 76 CO 0.48 -0.13 1.87 -0.65 -2.79 0.00 0.00 177.10 175.89 1sf9 h PRO 77 N 8.10 0.11 0.00 0.43 0.11 -1.91 0.26 132.00 139.10 1sf9 h PRO 77 Ca -0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1sf9 h PRO 77 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sf9 h PRO 77 CO 0.59 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.60 1sf9 n GLU 78 N -4.34 0.11 -0.05 1.05 0.28 -1.26 -1.82 120.64 114.60 1sf9 n GLU 78 Ca 0.19 0.21 0.10 0.00 -0.16 0.00 0.00 57.16 57.51 1sf9 n GLU 78 Cb 0.91 -1.50 0.44 0.00 1.43 0.00 0.00 31.44 32.73 1sf9 n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1sf9 n ASP 79 N -1.39 1.13 -4.39 -1.84 8.00 0.08 -4.78 116.55 113.36 1sf9 n ASP 79 Ca 0.05 -1.60 -0.32 0.00 0.71 0.00 0.00 54.79 53.63 1sf9 n ASP 79 Cb 0.13 -0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 1sf9 n ASP 79 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1sf9 s TYR 80 N -1.87 2.52 -0.12 1.24 2.02 -0.76 -5.10 117.35 115.30 1sf9 s TYR 80 Ca 0.31 -0.32 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 1sf9 s TYR 80 Cb 0.16 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1sf9 s TYR 80 CO 0.25 0.06 -0.22 -1.12 -1.57 0.00 0.00 175.55 172.95 1sf9 s SER 81 N -0.63 3.21 0.33 2.29 0.01 -1.26 -5.04 113.70 112.61 1sf9 s SER 81 Ca 0.10 -0.55 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 1sf9 s SER 81 Cb -0.11 -1.45 -0.11 0.00 0.21 0.00 0.00 66.02 64.56 1sf9 s SER 81 CO 0.00 0.13 1.53 -2.65 0.41 0.00 0.00 173.24 172.67 1sf9 n PRO 82 N 3.72 2.65 0.00 12.44 -0.02 -1.26 -1.70 135.00 150.83 1sf9 n PRO 82 Ca -0.19 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1sf9 n PRO 82 Cb 0.52 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1sf9 n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sf9 n GLY 83 N 1.42 2.13 3.88 -1.23 0.00 0.50 -4.98 105.19 106.91 1sf9 n GLY 83 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1sf9 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sf9 s GLU 84 N -0.81 3.74 -0.10 1.61 0.41 -0.69 -4.83 118.70 118.04 1sf9 s GLU 84 Ca 0.00 0.20 0.02 0.00 -0.41 0.00 0.00 54.97 54.78 1sf9 s GLU 84 Cb 0.00 -2.63 -0.02 0.00 -1.78 0.00 0.00 34.13 29.70 1sf9 s GLU 84 CO 0.00 0.26 -0.15 0.99 -0.49 0.00 0.00 175.26 175.87 1sf9 s THR 85 N -1.95 2.94 0.25 3.63 2.01 -1.26 -1.63 115.64 119.63 1sf9 s THR 85 Ca 0.46 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.83 1sf9 s THR 85 Cb -0.11 -2.19 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 1sf9 s THR 85 CO 0.25 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.27 1sf9 s TYR 86 N -0.02 1.97 0.06 4.92 1.51 0.04 -4.51 117.35 121.32 1sf9 s TYR 86 Ca -0.04 -0.51 -0.21 0.00 -1.01 0.00 0.00 57.07 55.30 1sf9 s TYR 86 Cb -0.14 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.71 1sf9 s TYR 86 CO 0.04 0.48 0.63 0.50 -1.11 0.00 0.00 175.55 176.09 1sf9 s ARG 87 N -3.61 4.33 -0.23 -0.62 3.52 0.09 -0.10 118.95 122.32 1sf9 s ARG 87 Ca 0.26 0.84 -0.23 0.00 -0.13 0.00 0.00 55.73 56.47 1sf9 s ARG 87 Cb -0.01 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1sf9 s ARG 87 CO 0.11 0.51 0.75 0.08 -0.81 0.00 0.00 175.30 175.94 1sf9 s VAL 88 N -0.71 4.90 0.21 7.11 1.01 -0.49 -0.66 120.40 131.78 1sf9 s VAL 88 Ca 0.32 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 1sf9 s VAL 88 Cb -0.20 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 1sf9 s VAL 88 CO 0.20 -0.01 0.96 1.21 0.00 0.00 0.00 175.10 177.46 1sf9 n GLU 89 N 5.68 0.92 -1.69 2.72 2.13 0.51 -2.00 120.64 128.91 1sf9 n GLU 89 Ca 0.03 0.32 -0.21 0.00 0.66 0.00 0.00 57.16 57.97 1sf9 n GLU 89 Cb 0.48 -1.66 -0.08 0.00 0.27 0.00 0.00 31.44 30.45 1sf9 n GLU 89 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1sf9 n ASN 90 N 1.68 -5.46 -3.85 4.31 3.02 -1.26 -4.96 115.26 108.75 1sf9 n ASN 90 Ca 0.14 0.45 -0.18 0.00 -0.03 0.00 0.00 54.58 54.96 1sf9 n ASN 90 Cb 0.27 -4.80 -0.09 0.00 -0.61 0.00 0.00 39.78 34.55 1sf9 n ASN 90 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sf9 s THR 91 N -2.77 0.16 -0.63 3.41 -4.23 -0.85 -5.04 115.64 105.69 1sf9 s THR 91 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1sf9 s THR 91 Cb 0.00 -2.50 0.53 0.00 1.34 0.00 0.00 72.50 71.87 1sf9 s THR 91 CO 0.00 0.00 1.45 -0.62 -0.54 0.00 0.00 174.62 174.91 1sf9 n GLU 92 N -0.53 3.25 -3.04 3.99 1.02 -1.26 -4.70 120.64 119.36 1sf9 n GLU 92 Ca 0.03 -2.65 -0.28 0.00 -0.02 0.00 0.00 57.16 54.24 1sf9 n GLU 92 Cb 0.64 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 1sf9 n GLU 92 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sf9 s ASP 93 N -1.34 6.37 -0.02 1.62 -0.00 -1.26 -4.99 116.67 117.04 1sf9 s ASP 93 Ca 0.40 0.80 0.08 0.00 -0.00 0.00 0.00 52.55 53.82 1sf9 s ASP 93 Cb 0.28 -2.18 -0.02 0.00 -0.00 0.00 0.00 42.92 41.00 1sf9 s ASP 93 CO 0.15 -0.37 -0.25 -1.61 -0.00 0.00 0.00 175.17 173.09 1sf9 s GLU 94 N -4.13 2.10 -0.10 8.23 2.02 -1.26 -1.39 118.70 124.16 1sf9 s GLU 94 Ca 0.45 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.56 1sf9 s GLU 94 Cb -0.10 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.15 1sf9 s GLU 94 CO 0.36 0.52 -0.12 0.12 0.02 0.00 0.00 175.26 176.16 1sf9 s PHE 95 N -0.54 1.67 -0.20 1.61 2.19 0.85 -1.08 117.98 122.49 1sf9 s PHE 95 Ca 0.08 -0.77 -0.12 0.00 0.33 0.00 0.00 56.93 56.45 1sf9 s PHE 95 Cb -0.10 -1.26 -0.05 0.00 -1.31 0.00 0.00 43.02 40.30 1sf9 s PHE 95 CO -0.00 -0.44 0.24 0.99 1.83 0.00 0.00 175.22 177.83 1sf9 s THR 96 N 1.15 5.33 0.07 0.12 2.01 -0.11 -0.78 115.64 123.43 1sf9 s THR 96 Ca -0.05 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1sf9 s THR 96 Cb -0.14 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1sf9 s THR 96 CO -0.03 0.37 0.96 -0.63 -0.69 0.00 0.00 174.62 174.59 1sf9 s ILE 97 N 0.75 4.64 -0.23 1.82 1.01 -0.65 -1.76 121.20 126.78 1sf9 s ILE 97 Ca 0.13 2.04 -0.17 0.00 0.00 0.00 0.00 60.65 62.65 1sf9 s ILE 97 Cb -0.13 -4.31 -0.17 0.00 0.01 0.00 0.00 42.46 37.86 1sf9 s ILE 97 CO 0.03 0.27 -0.01 -1.20 0.00 0.00 0.00 174.94 174.02 1sf9 n SER 98 N 3.17 1.92 -3.76 3.58 7.64 0.20 -0.37 113.62 126.01 1sf9 n SER 98 Ca 0.03 0.35 -0.06 0.00 1.01 0.00 0.00 58.87 60.20 1sf9 n SER 98 Cb 0.50 -0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 62.80 1sf9 n SER 98 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1sf9 s TYR 99 N -2.44 -0.20 0.06 1.43 -0.85 -0.65 -4.67 117.35 110.02 1sf9 s TYR 99 Ca -0.33 -0.15 0.05 0.00 -0.52 0.00 0.00 57.07 56.12 1sf9 s TYR 99 Cb 0.10 0.66 -0.04 0.00 0.38 0.00 0.00 41.96 43.06 1sf9 s TYR 99 CO 0.57 -0.99 -0.06 -0.51 -1.52 0.00 0.00 175.55 173.03 1sf9 s LEU 100 N -2.89 3.20 -0.20 -3.49 1.43 -1.26 -0.31 118.68 115.17 1sf9 s LEU 100 Ca 0.10 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1sf9 s LEU 100 Cb -0.03 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.36 1sf9 s LEU 100 CO 0.02 0.22 0.41 0.21 0.23 0.00 0.00 176.35 177.45 1sf9 s ASN 101 N -1.90 -0.23 1.54 2.29 2.47 -0.58 -4.95 114.94 113.59 1sf9 s ASN 101 Ca 0.21 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.46 1sf9 s ASN 101 Cb -0.11 1.33 0.00 0.00 -1.45 0.00 0.00 41.25 41.02 1sf9 s ASN 101 CO 0.12 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 173.88 1sf9 n GLY 102 N 5.39 2.86 1.66 1.21 0.00 -1.26 -1.52 105.19 113.52 1sf9 n GLY 102 Ca -0.08 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1sf9 n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sf9 n VAL 103 N 0.00 2.04 -4.21 1.61 0.24 -1.26 -4.86 118.33 111.89 1sf9 n VAL 103 Ca 0.00 -1.21 -0.28 0.00 -2.04 0.00 0.00 64.34 60.82 1sf9 n VAL 103 Cb 0.00 -0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.28 1sf9 n VAL 103 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1sf9 s PHE 104 N -2.09 2.81 -0.19 6.34 0.08 -0.57 -1.17 117.98 123.19 1sf9 s PHE 104 Ca 0.51 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 1sf9 s PHE 104 Cb 0.35 -1.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.38 1sf9 s PHE 104 CO 0.22 0.49 -0.05 0.00 -0.10 0.00 0.00 175.22 175.78 1sf9 s ALA 105 N -1.54 2.86 -0.11 5.36 0.00 0.64 -1.52 121.76 127.44 1sf9 s ALA 105 Ca 0.25 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.03 1sf9 s ALA 105 Cb -0.10 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 1sf9 s ALA 105 CO 0.17 -0.18 0.34 -1.58 0.00 0.00 0.00 175.76 174.51 1sf9 s TRP 106 N 1.06 3.56 0.00 0.00 0.52 0.57 -1.31 118.94 123.34 1sf9 s TRP 106 Ca 0.01 0.74 0.00 0.00 0.02 0.00 0.00 56.10 56.87 1sf9 s TRP 106 Cb -0.15 -2.32 0.00 0.00 -1.15 0.00 0.00 33.47 29.85 1sf9 s TRP 106 CO 0.00 0.39 0.00 0.41 0.02 0.00 0.00 176.95 177.77 1sf9 n GLY 107 N 2.80 1.16 3.26 0.98 0.00 0.13 0.62 105.19 114.13 1sf9 n GLY 107 Ca -0.12 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1sf9 n GLY 107 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sf9 s TYR 108 N -0.80 -0.14 0.28 1.61 1.13 -0.72 -0.04 117.35 118.67 1sf9 s TYR 108 Ca 0.00 0.05 -0.23 0.00 -1.41 0.00 0.00 57.07 55.48 1sf9 s TYR 108 Cb 0.00 0.11 -0.09 0.00 -1.10 0.00 0.00 41.96 40.88 1sf9 s TYR 108 CO 0.00 -0.49 0.85 1.03 -2.51 0.00 0.00 175.55 174.43 1sf9 s ARG 109 N -2.31 4.45 0.58 -3.49 0.52 -1.26 -0.94 118.95 116.50 1sf9 s ARG 109 Ca -0.07 1.14 0.34 0.00 -0.52 0.00 0.00 55.73 56.63 1sf9 s ARG 109 Cb -0.02 -2.84 1.76 0.00 0.52 0.00 0.00 34.95 34.37 1sf9 s ARG 109 CO -0.02 0.33 2.15 1.79 0.02 0.00 0.00 175.30 179.58 1sf9 h THR 110 N 2.67 0.26 -0.00 0.02 1.35 -1.50 -0.87 112.91 114.84 1sf9 h THR 110 Ca -0.47 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1sf9 h THR 110 Cb 1.19 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1sf9 h THR 110 CO 0.65 0.05 -0.17 -1.54 -0.25 0.00 0.00 175.52 174.26 1sf9 n SER 111 N -3.35 0.22 -3.05 5.36 3.41 -1.26 -4.11 113.62 110.85 1sf9 n SER 111 Ca -0.02 0.08 -0.16 0.00 -0.26 0.00 0.00 58.87 58.51 1sf9 n SER 111 Cb 0.19 -0.20 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1sf9 n SER 111 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sf9 n SER 112 N -1.41 -0.33 0.00 4.04 3.41 -0.39 -4.98 113.62 113.96 1sf9 n SER 112 Ca 0.08 -3.14 0.04 0.00 -0.26 0.00 0.00 58.87 55.59 1sf9 n SER 112 Cb 0.32 0.17 0.16 0.00 -0.26 0.00 0.00 64.21 64.61 1sf9 n SER 112 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1sf9 n PRO 113 N 0.62 0.02 0.00 4.33 -0.04 -0.87 -1.70 135.00 137.36 1sf9 n PRO 113 Ca 0.19 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1sf9 n PRO 113 Cb 0.64 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 33.10 1sf9 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sf9 n GLN 114 N -1.45 1.54 -3.96 0.54 0.00 -1.26 -4.77 117.38 108.02 1sf9 n GLN 114 Ca 0.02 -0.90 -0.33 0.00 0.00 0.00 0.00 57.00 55.79 1sf9 n GLN 114 Cb 0.08 -1.48 -0.14 0.00 0.00 0.00 0.00 30.24 28.70 1sf9 n GLN 114 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1sf9 s GLN 115 N -2.08 1.94 0.02 2.61 -0.21 -0.69 -5.09 119.66 116.16 1sf9 s GLN 115 Ca 0.36 -1.63 -0.30 0.00 0.02 0.00 0.00 55.36 53.81 1sf9 s GLN 115 Cb 0.21 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.98 1sf9 s GLN 115 CO 0.36 -0.82 0.97 -2.00 -2.12 0.00 0.00 175.29 171.68 1sf9 s GLU 116 N 1.06 4.58 0.24 2.91 2.12 -1.26 -4.50 118.70 123.85 1sf9 s GLU 116 Ca 0.03 1.41 -0.08 0.00 0.36 0.00 0.00 54.97 56.69 1sf9 s GLU 116 Cb -0.20 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.73 1sf9 s GLU 116 CO -0.05 -0.00 0.36 -1.83 -0.54 0.00 0.00 175.26 173.20 1sf9 s GLU 117 N 0.84 1.48 -0.07 4.30 -1.05 0.94 -4.93 118.70 120.21 1sf9 s GLU 117 Ca 0.51 -1.43 0.05 0.00 -0.15 0.00 0.00 54.97 53.94 1sf9 s GLU 117 Cb -0.21 0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 33.87 1sf9 s GLU 117 CO 0.28 -0.58 -0.22 0.00 0.95 0.00 0.00 175.26 175.70 1sf9 s ALA 118 N -3.96 2.31 0.04 -0.84 0.00 -1.26 -0.69 121.76 117.36 1sf9 s ALA 118 Ca 0.29 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1sf9 s ALA 118 Cb 0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1sf9 s ALA 118 CO 0.11 0.41 -0.15 -0.51 0.00 0.00 0.00 175.76 175.62 1sf9 s LEU 119 N -0.16 2.17 0.42 0.00 1.43 -0.43 -4.95 118.68 117.16 1sf9 s LEU 119 Ca -0.03 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 1sf9 s LEU 119 Cb -0.14 -0.67 -0.08 0.00 0.03 0.00 0.00 46.19 45.33 1sf9 s LEU 119 CO 0.04 0.06 1.27 -2.84 0.23 0.00 0.00 176.35 175.10 1sf9 s PRO 120 N -1.16 3.92 0.60 1.29 0.02 -1.26 -0.26 135.00 138.14 1sf9 s PRO 120 Ca 0.03 2.07 0.40 0.00 0.02 0.00 0.00 61.00 63.51 1sf9 s PRO 120 Cb -0.08 -2.68 2.11 0.00 0.02 0.00 0.00 34.50 33.87 1sf9 s PRO 120 CO 0.01 -0.51 2.22 -0.84 -0.33 0.00 0.00 177.00 177.55 1sf9 h ILE 121 N 2.33 0.00 0.00 2.83 3.07 -1.47 -2.27 117.51 122.00 1sf9 h ILE 121 Ca -0.49 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 65.85 1sf9 h ILE 121 Cb 1.25 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 1sf9 h ILE 121 CO 0.62 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 176.18 1sf9 n SER 122 N -2.94 0.61 -1.02 2.16 3.41 -1.26 -2.32 113.62 112.26 1sf9 n SER 122 Ca -0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1sf9 n SER 122 Cb 0.09 -0.80 0.15 0.00 -0.26 0.00 0.00 64.21 63.40 1sf9 n SER 122 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1sf9 n VAL 123 N -2.21 0.18 -3.31 -3.33 0.24 -0.85 -4.89 118.33 104.17 1sf9 n VAL 123 Ca 0.01 -0.58 -0.40 0.00 -2.04 0.00 0.00 64.34 61.33 1sf9 n VAL 123 Cb 0.18 1.28 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 1sf9 n VAL 123 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sf9 s LEU 124 N -1.81 4.12 -0.09 1.34 1.43 -0.98 -0.36 118.68 122.32 1sf9 s LEU 124 Ca 0.32 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1sf9 s LEU 124 Cb 0.21 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1sf9 s LEU 124 CO 0.31 -0.29 -0.05 -1.10 0.23 0.00 0.00 176.35 175.45 1sf9 s GLN 125 N 2.21 3.04 0.38 1.70 -1.52 0.17 -4.94 119.66 120.70 1sf9 s GLN 125 Ca 0.18 -0.52 -0.27 0.00 -1.95 0.00 0.00 55.36 52.79 1sf9 s GLN 125 Cb -0.16 -2.71 -0.10 0.00 -0.22 0.00 0.00 33.01 29.83 1sf9 s GLN 125 CO 0.10 0.55 1.37 -1.21 -0.25 0.00 0.00 175.29 175.85 1sf9 s GLU 126 N -0.50 4.09 0.65 2.91 2.02 -1.26 -0.73 118.70 125.87 1sf9 s GLU 126 Ca 0.08 2.31 -0.17 0.00 0.02 0.00 0.00 54.97 57.21 1sf9 s GLU 126 Cb -0.12 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 1sf9 s GLU 126 CO 0.02 -0.45 1.01 1.63 0.02 0.00 0.00 175.26 177.49 1sf9 n LYS 127 N 0.37 0.78 0.00 1.61 4.76 -1.26 -4.74 118.16 119.69 1sf9 n LYS 127 Ca 0.02 0.32 0.04 0.00 -2.87 0.00 0.00 58.31 55.82 1sf9 n LYS 127 Cb 0.42 -2.24 0.03 0.00 -1.84 0.00 0.00 35.03 31.39 1sf9 n LYS 127 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12