#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsf s MET 2 N 0.00 0.26 -0.09 0.54 1.75 -0.20 -2.31 119.30 119.25 3jsf s MET 2 Ca 0.00 0.74 0.03 0.00 -1.25 0.00 0.00 55.69 55.22 3jsf s MET 2 Cb 0.00 0.00 0.01 0.00 2.84 0.00 0.00 34.83 37.68 3jsf s MET 2 CO 0.00 -0.21 -0.20 0.12 -0.65 0.00 0.00 175.02 174.08 3jsf s PHE 3 N 1.85 2.17 -0.08 4.11 5.36 -0.24 -1.00 117.98 130.15 3jsf s PHE 3 Ca -0.05 -0.88 0.04 0.00 -0.96 0.00 0.00 56.93 55.08 3jsf s PHE 3 Cb -0.11 -1.49 -0.00 0.00 -0.34 0.00 0.00 43.02 41.08 3jsf s PHE 3 CO -0.10 -0.38 -0.22 0.42 -1.46 0.00 0.00 175.22 173.48 3jsf s ILE 4 N 0.49 1.87 -0.16 3.12 -1.09 -0.47 -1.33 121.20 123.64 3jsf s ILE 4 Ca -0.17 -0.93 0.01 0.00 -2.23 0.00 0.00 60.65 57.34 3jsf s ILE 4 Cb -0.17 -1.62 0.02 0.00 -1.58 0.00 0.00 42.46 39.11 3jsf s ILE 4 CO 0.06 0.52 -0.19 0.68 -1.23 0.00 0.00 174.94 174.78 3jsf s VAL 5 N 0.22 1.93 -0.19 2.92 -7.23 0.09 -1.47 120.40 116.68 3jsf s VAL 5 Ca -0.13 -0.87 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 3jsf s VAL 5 Cb -0.16 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 3jsf s VAL 5 CO 0.06 0.52 -0.01 0.20 -0.31 0.00 0.00 175.10 175.57 3jsf s ASN 6 N 1.17 4.87 0.04 4.85 0.01 -0.26 -0.01 114.94 125.62 3jsf s ASN 6 Ca 0.01 -0.17 -0.09 0.00 -0.71 0.00 0.00 52.86 51.90 3jsf s ASN 6 Cb -0.14 -1.82 0.00 0.00 0.41 0.00 0.00 41.25 39.70 3jsf s ASN 6 CO -0.09 0.10 0.19 0.28 -1.51 0.00 0.00 177.10 176.07 3jsf s THR 7 N 0.80 0.11 -2.47 1.60 -1.32 -0.35 -0.85 115.64 113.15 3jsf s THR 7 Ca 0.00 -0.92 0.24 0.00 -1.21 0.00 0.00 61.69 59.81 3jsf s THR 7 Cb -0.14 -0.95 0.46 0.00 -1.51 0.00 0.00 72.50 70.36 3jsf s THR 7 CO 0.02 -0.51 1.58 -0.46 -2.21 0.00 0.00 174.62 173.04 3jsf n ASN 8 N 0.63 1.92 -4.75 8.08 6.94 -1.24 -1.00 115.26 125.84 3jsf n ASN 8 Ca -0.19 -1.69 -0.41 0.00 -0.02 0.00 0.00 54.58 52.28 3jsf n ASN 8 Cb 0.59 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 3jsf n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3jsf s VAL 9 N -1.87 2.98 0.58 3.53 1.01 -1.26 -4.33 120.40 121.04 3jsf s VAL 9 Ca 0.35 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.03 3jsf s VAL 9 Cb 0.20 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3jsf s VAL 9 CO 0.30 0.17 1.17 -2.16 0.00 0.00 0.00 175.10 174.58 3jsf s PRO 10 N -0.89 3.12 0.36 2.72 0.04 -1.26 -1.16 135.00 137.93 3jsf s PRO 10 Ca 0.53 1.71 0.07 0.00 0.04 0.00 0.00 61.00 63.35 3jsf s PRO 10 Cb -0.38 -1.96 0.77 0.00 0.04 0.00 0.00 34.50 32.97 3jsf s PRO 10 CO 0.44 -1.06 1.93 -0.09 0.04 0.00 0.00 177.00 178.27 3jsf h ARG 11 N 0.97 0.71 0.00 4.56 2.43 -1.93 0.43 114.38 121.55 3jsf h ARG 11 Ca -0.50 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 3jsf h ARG 11 Cb 1.28 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3jsf h ARG 11 CO 0.56 0.47 -0.04 0.00 -1.51 0.00 0.00 179.97 179.44 3jsf h ALA 12 N 1.60 1.43 -0.00 2.80 0.00 -2.03 -1.25 119.26 121.81 3jsf h ALA 12 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3jsf h ALA 12 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jsf h ALA 12 CO -0.13 0.05 -0.10 0.43 0.00 0.00 0.00 179.25 179.50 3jsf n SER 13 N -3.76 0.45 -4.60 0.00 7.64 0.14 -4.72 113.62 108.76 3jsf n SER 13 Ca -0.03 -0.56 -0.43 0.00 1.01 0.00 0.00 58.87 58.87 3jsf n SER 13 Cb 0.14 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 3jsf n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jsf s VAL 14 N -2.48 4.42 0.44 0.44 1.01 -0.47 -4.76 120.40 118.99 3jsf s VAL 14 Ca 0.29 1.23 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 3jsf s VAL 14 Cb 0.20 -4.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 3jsf s VAL 14 CO 0.47 -0.74 1.14 -2.16 0.00 0.00 0.00 175.10 173.81 3jsf s PRO 15 N 3.90 3.90 0.23 2.72 0.04 -1.26 -4.97 135.00 139.55 3jsf s PRO 15 Ca 0.43 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.89 3jsf s PRO 15 Cb -0.10 -2.48 -0.14 0.00 0.04 0.00 0.00 34.50 31.81 3jsf s PRO 15 CO 0.24 -0.42 1.26 -0.25 0.04 0.00 0.00 177.00 177.86 3jsf n ASP 16 N -0.30 2.06 0.00 6.66 10.43 -1.26 -2.23 116.55 131.92 3jsf n ASP 16 Ca 0.06 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.57 3jsf n ASP 16 Cb 0.48 -1.34 0.00 0.00 1.84 0.00 0.00 41.12 42.10 3jsf n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jsf n GLY 17 N 1.89 0.26 0.08 0.44 0.00 -1.26 -4.98 105.19 101.62 3jsf n GLY 17 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3jsf n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3jsf h PHE 18 N 0.00 0.14 -0.76 1.61 3.57 -1.83 0.71 116.94 120.38 3jsf h PHE 18 Ca 0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3jsf h PHE 18 Cb 0.00 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3jsf h PHE 18 CO 0.00 0.24 0.37 -0.07 -2.23 0.00 0.00 178.31 176.62 3jsf h LEU 19 N 0.00 0.98 -0.76 0.59 3.38 -1.94 -1.06 115.31 116.51 3jsf h LEU 19 Ca 0.03 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3jsf h LEU 19 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3jsf h LEU 19 CO -0.00 0.83 -0.19 0.28 0.09 0.00 0.00 178.44 179.45 3jsf h SER 20 N 1.06 0.74 -0.35 -0.43 0.02 -1.90 -0.81 113.55 111.88 3jsf h SER 20 Ca 0.26 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3jsf h SER 20 Cb 0.10 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3jsf h SER 20 CO -0.03 0.93 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.27 3jsf h GLU 21 N 0.65 0.77 -0.51 3.45 4.81 -0.54 -0.55 114.58 122.66 3jsf h GLU 21 Ca 0.10 -0.36 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3jsf h GLU 21 Cb 0.68 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3jsf h GLU 21 CO 0.05 0.99 0.31 -0.07 -0.73 0.00 0.00 179.01 179.56 3jsf h LEU 22 N 0.56 0.52 -0.09 1.64 3.38 -1.05 -0.02 115.31 120.24 3jsf h LEU 22 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3jsf h LEU 22 Cb 0.79 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3jsf h LEU 22 CO 0.06 0.37 0.06 0.74 0.09 0.00 0.00 178.44 179.76 3jsf h THR 23 N 0.63 1.03 -0.48 0.22 2.02 -0.93 -0.10 112.91 115.29 3jsf h THR 23 Ca 0.20 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 3jsf h THR 23 Cb -0.00 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3jsf h THR 23 CO -0.08 0.02 0.16 -0.61 0.37 0.00 0.00 175.52 175.38 3jsf h GLN 24 N 0.12 0.74 -0.18 6.66 4.15 -0.89 -1.06 115.11 124.64 3jsf h GLN 24 Ca 0.03 -0.15 -0.14 0.00 0.77 0.00 0.00 58.65 59.16 3jsf h GLN 24 Cb -0.01 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3jsf h GLN 24 CO -0.01 0.69 -0.46 1.96 -1.93 0.00 0.00 178.83 179.09 3jsf h GLN 25 N 0.64 0.46 -0.34 1.69 1.08 -0.87 -1.79 115.11 115.98 3jsf h GLN 25 Ca 0.16 -0.25 -0.17 0.00 -1.45 0.00 0.00 58.65 56.93 3jsf h GLN 25 Cb 0.26 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3jsf h GLN 25 CO -0.01 0.83 -0.47 -0.07 -0.95 0.00 0.00 178.83 178.16 3jsf h LEU 26 N 0.37 0.99 -0.44 1.46 3.38 -0.87 -0.19 115.31 120.02 3jsf h LEU 26 Ca 0.02 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.53 3jsf h LEU 26 Cb 0.95 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3jsf h LEU 26 CO 0.08 1.30 0.22 0.00 0.09 0.00 0.00 178.44 180.13 3jsf h ALA 27 N 0.73 0.55 0.06 1.53 0.00 -1.07 0.11 119.26 121.17 3jsf h ALA 27 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3jsf h ALA 27 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3jsf h ALA 27 CO 0.11 -0.13 -0.03 0.37 0.00 0.00 0.00 179.25 179.57 3jsf h GLN 28 N 0.45 -0.08 -0.16 0.00 5.75 -1.17 0.13 115.11 120.04 3jsf h GLN 28 Ca 0.19 0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.53 3jsf h GLN 28 Cb 0.08 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3jsf h GLN 28 CO -0.13 -0.03 -0.59 0.00 -2.65 0.00 0.00 178.83 175.43 3jsf h ALA 29 N 0.83 0.68 0.00 3.38 0.00 -0.77 -3.11 119.26 120.27 3jsf h ALA 29 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3jsf h ALA 29 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3jsf h ALA 29 CO 0.01 0.70 -0.98 0.25 0.00 0.00 0.00 179.25 179.24 3jsf n THR 30 N -3.93 0.33 -0.38 0.00 -2.24 0.35 -4.95 114.28 103.46 3jsf n THR 30 Ca -0.03 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3jsf n THR 30 Cb 0.63 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3jsf n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jsf n GLY 31 N 1.30 2.03 3.80 3.38 0.00 0.44 -5.00 105.19 111.13 3jsf n GLY 31 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3jsf n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jsf s LYS 32 N -0.08 4.17 0.45 1.61 -0.14 -1.17 -4.97 119.74 119.61 3jsf s LYS 32 Ca 0.00 1.33 -0.24 0.00 -1.36 0.00 0.00 55.97 55.70 3jsf s LYS 32 Cb 0.00 -2.37 -0.07 0.00 -1.68 0.00 0.00 37.83 33.70 3jsf s LYS 32 CO 0.00 -0.11 1.29 -1.25 -0.76 0.00 0.00 175.35 174.52 3jsf s PRO 33 N -2.80 3.71 0.56 -1.68 0.04 -1.26 -4.47 135.00 129.11 3jsf s PRO 33 Ca 0.60 2.10 0.28 0.00 0.04 0.00 0.00 61.00 64.01 3jsf s PRO 33 Cb -0.16 -2.55 1.48 0.00 0.04 0.00 0.00 34.50 33.31 3jsf s PRO 33 CO 0.21 -0.69 1.97 -1.35 0.04 0.00 0.00 177.00 177.18 3jsf h PRO 34 N 2.22 0.00 0.00 0.56 0.11 -1.92 0.16 132.00 133.12 3jsf h PRO 34 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3jsf h PRO 34 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3jsf h PRO 34 CO 0.61 0.00 -0.10 0.37 -0.21 0.00 0.00 178.00 178.67 3jsf h GLN 35 N 0.00 0.00 0.00 1.05 4.15 -1.98 -2.54 115.11 115.79 3jsf h GLN 35 Ca 0.22 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.51 3jsf h GLN 35 Cb 1.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 3jsf h GLN 35 CO -0.00 0.10 -0.65 1.88 -1.93 0.00 0.00 178.83 178.23 3jsf h TYR 36 N 0.00 0.00 -3.40 3.99 -1.99 -1.32 -3.47 116.97 110.79 3jsf h TYR 36 Ca -0.00 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.18 3jsf h TYR 36 Cb 0.35 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.05 3jsf h TYR 36 CO 0.00 0.65 0.22 0.42 -0.00 0.00 0.00 178.16 179.44 3jsf s ILE 37 N -2.98 4.92 -0.09 -2.88 1.01 -0.96 -4.41 121.20 115.81 3jsf s ILE 37 Ca 0.02 1.73 0.02 0.00 0.00 0.00 0.00 60.65 62.42 3jsf s ILE 37 Cb 0.09 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3jsf s ILE 37 CO 0.76 0.23 -0.14 0.00 0.00 0.00 0.00 174.94 175.80 3jsf s ALA 38 N 0.73 2.63 0.02 9.38 0.00 -0.98 -5.04 121.76 128.52 3jsf s ALA 38 Ca 0.44 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.51 3jsf s ALA 38 Cb -0.20 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3jsf s ALA 38 CO 0.23 0.39 -0.14 0.08 0.00 0.00 0.00 175.76 176.32 3jsf s VAL 39 N -0.14 1.12 -0.12 0.00 1.01 -1.26 -1.08 120.40 119.94 3jsf s VAL 39 Ca -0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3jsf s VAL 39 Cb -0.14 -0.99 0.06 0.00 0.00 0.00 0.00 36.38 35.31 3jsf s VAL 39 CO 0.03 0.11 0.23 -2.28 0.00 0.00 0.00 175.10 173.19 3jsf s HIS 40 N -0.68 -0.34 -0.13 5.22 2.46 -0.44 -4.98 115.29 116.39 3jsf s HIS 40 Ca 0.03 0.79 0.01 0.00 0.47 0.00 0.00 55.06 56.36 3jsf s HIS 40 Cb -0.07 -0.14 -0.01 0.00 -0.13 0.00 0.00 32.58 32.24 3jsf s HIS 40 CO 0.01 -0.36 -0.17 0.08 -2.47 0.00 0.00 174.74 171.83 3jsf s VAL 41 N 2.37 2.61 -0.38 0.89 1.01 -1.26 -0.73 120.40 124.91 3jsf s VAL 41 Ca 0.02 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.22 3jsf s VAL 41 Cb -0.12 -2.07 0.11 0.00 0.00 0.00 0.00 36.38 34.29 3jsf s VAL 41 CO -0.08 0.53 0.13 -0.69 0.00 0.00 0.00 175.10 174.99 3jsf s VAL 42 N 0.53 1.93 0.84 2.92 1.01 0.99 -4.98 120.40 123.65 3jsf s VAL 42 Ca -0.11 -2.37 -0.12 0.00 0.00 0.00 0.00 61.98 59.38 3jsf s VAL 42 Cb -0.16 -2.40 0.13 0.00 0.00 0.00 0.00 36.38 33.94 3jsf s VAL 42 CO 0.04 -0.70 1.19 -2.16 0.00 0.00 0.00 175.10 173.47 3jsf s PRO 43 N 0.74 1.47 -1.44 2.72 0.04 -1.26 -1.22 135.00 136.06 3jsf s PRO 43 Ca 0.13 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.91 3jsf s PRO 43 Cb -0.21 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3jsf s PRO 43 CO -0.09 -1.83 0.00 -0.25 0.04 0.00 0.00 177.00 174.87 3jsf n ASP 44 N -3.38 -4.75 -4.84 6.66 8.00 -0.31 -4.83 116.55 113.10 3jsf n ASP 44 Ca 0.11 0.10 -0.32 0.00 0.71 0.00 0.00 54.79 55.39 3jsf n ASP 44 Cb 0.60 -3.81 -0.06 0.00 -0.02 0.00 0.00 41.12 37.84 3jsf n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jsf s GLN 45 N -4.35 4.03 -0.61 -1.24 -1.52 -0.17 -4.93 119.66 110.87 3jsf s GLN 45 Ca 0.00 0.77 -0.23 0.00 -1.95 0.00 0.00 55.36 53.95 3jsf s GLN 45 Cb 0.00 -2.36 0.06 0.00 -0.22 0.00 0.00 33.01 30.49 3jsf s GLN 45 CO 0.00 0.08 0.94 -1.17 -0.25 0.00 0.00 175.29 174.89 3jsf s LEU 46 N -3.15 4.27 0.03 2.90 2.96 -1.26 -4.04 118.68 120.39 3jsf s LEU 46 Ca 0.56 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3jsf s LEU 46 Cb -0.10 -2.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 3jsf s LEU 46 CO 0.18 -1.33 -0.01 -0.04 -1.32 0.00 0.00 176.35 173.84 3jsf s MET 47 N 3.97 0.43 0.04 1.98 -1.94 -1.26 -5.07 119.30 117.45 3jsf s MET 47 Ca 0.25 -0.78 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 3jsf s MET 47 Cb -0.15 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.82 3jsf s MET 47 CO 0.14 -0.08 -0.10 0.00 -0.01 0.00 0.00 175.02 174.97 3jsf s ALA 48 N -2.27 0.79 -0.09 3.03 0.00 -1.26 -4.54 121.76 117.43 3jsf s ALA 48 Ca -0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3jsf s ALA 48 Cb -0.04 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.07 3jsf s ALA 48 CO -0.04 0.08 -0.00 0.12 0.00 0.00 0.00 175.76 175.92 3jsf s PHE 49 N -1.12 0.79 -1.67 0.00 2.19 0.08 -4.71 117.98 113.55 3jsf s PHE 49 Ca -0.05 -0.30 0.00 0.00 0.33 0.00 0.00 56.93 56.92 3jsf s PHE 49 Cb -0.09 -0.87 0.00 0.00 -1.31 0.00 0.00 43.02 40.75 3jsf s PHE 49 CO 0.01 -0.38 0.00 0.41 1.83 0.00 0.00 175.22 177.09 3jsf n GLY 50 N 5.12 -0.50 2.77 13.12 0.00 -1.26 -2.03 105.19 122.41 3jsf n GLY 50 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3jsf n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsf n GLY 51 N -0.98 0.96 3.51 -0.02 0.00 -1.26 -5.02 105.19 102.38 3jsf n GLY 51 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3jsf n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jsf s SER 52 N -2.99 4.10 -0.28 1.61 0.15 -0.86 -5.04 113.70 110.39 3jsf s SER 52 Ca 0.00 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.39 3jsf s SER 52 Cb 0.00 -0.75 0.66 0.00 -1.71 0.00 0.00 66.02 64.22 3jsf s SER 52 CO 0.00 0.24 1.66 -1.54 1.20 0.00 0.00 173.24 174.80 3jsf n SER 53 N 1.31 4.25 -4.61 5.45 3.41 -1.26 -0.74 113.62 121.44 3jsf n SER 53 Ca -0.15 -3.26 -0.30 0.00 -0.26 0.00 0.00 58.87 54.90 3jsf n SER 53 Cb 0.52 -0.68 0.20 0.00 -0.26 0.00 0.00 64.21 63.99 3jsf n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jsf s GLU 54 N -3.00 0.30 0.14 4.33 0.41 -1.26 -4.87 118.70 114.75 3jsf s GLU 54 Ca 0.50 1.22 -0.34 0.00 -0.41 0.00 0.00 54.97 55.94 3jsf s GLU 54 Cb 0.41 -1.67 -0.16 0.00 -1.78 0.00 0.00 34.13 30.94 3jsf s GLU 54 CO 0.10 -3.02 1.32 -2.30 -0.49 0.00 0.00 175.26 170.87 3jsf n PRO 55 N -4.47 1.38 -3.95 0.39 -0.02 -1.26 -4.86 135.00 122.20 3jsf n PRO 55 Ca 0.08 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.96 3jsf n PRO 55 Cb 0.53 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.86 3jsf n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jsf s ALA 57 N -3.99 -0.58 -0.15 0.00 0.00 -0.44 -3.62 121.76 112.98 3jsf s ALA 57 Ca 0.20 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.74 3jsf s ALA 57 Cb -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3jsf s ALA 57 CO 0.07 -0.14 -0.20 -0.51 0.00 0.00 0.00 175.76 174.99 3jsf s LEU 58 N -0.15 2.21 0.22 0.00 1.43 -0.03 -1.48 118.68 120.88 3jsf s LEU 58 Ca -0.03 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3jsf s LEU 58 Cb -0.03 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3jsf s LEU 58 CO 0.01 0.06 -0.07 0.00 0.23 0.00 0.00 176.35 176.58 3jsf s SER 60 N -3.31 0.13 -0.16 0.00 1.04 -0.54 -0.71 113.70 110.14 3jsf s SER 60 Ca 0.25 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3jsf s SER 60 Cb 0.03 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.26 3jsf s SER 60 CO 0.07 -0.19 -0.09 -0.22 0.98 0.00 0.00 173.24 173.80 3jsf s LEU 61 N -0.89 1.72 -0.11 2.42 2.96 -0.09 -1.37 118.68 123.32 3jsf s LEU 61 Ca -0.10 -0.62 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 3jsf s LEU 61 Cb -0.06 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 3jsf s LEU 61 CO -0.00 -0.14 0.16 -1.00 -1.32 0.00 0.00 176.35 174.05 3jsf s HIS 62 N 1.56 3.61 -0.11 5.38 3.76 -0.17 -1.02 115.29 128.29 3jsf s HIS 62 Ca 0.02 0.56 -0.20 0.00 -0.15 0.00 0.00 55.06 55.29 3jsf s HIS 62 Cb -0.14 -1.96 0.05 0.00 1.11 0.00 0.00 32.58 31.63 3jsf s HIS 62 CO -0.09 0.73 0.50 0.45 -0.85 0.00 0.00 174.74 175.48 3jsf s SER 63 N -1.05 -0.47 -0.73 1.40 0.15 -0.68 -1.03 113.70 111.28 3jsf s SER 63 Ca 0.16 0.71 -0.25 0.00 0.70 0.00 0.00 55.95 57.27 3jsf s SER 63 Cb -0.12 0.74 0.05 0.00 -1.71 0.00 0.00 66.02 64.97 3jsf s SER 63 CO 0.05 -0.35 1.15 -0.63 1.20 0.00 0.00 173.24 174.66 3jsf s ILE 64 N -0.49 4.03 0.03 6.45 1.01 -1.26 -0.29 121.20 130.68 3jsf s ILE 64 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3jsf s ILE 64 Cb -0.03 -4.82 0.00 0.00 0.01 0.00 0.00 42.46 37.61 3jsf s ILE 64 CO 0.04 -1.68 0.00 0.61 0.00 0.00 0.00 174.94 173.91 3jsf n GLY 65 N 5.45 -1.81 2.50 6.18 0.00 -1.26 -4.92 105.19 111.33 3jsf n GLY 65 Ca 0.03 -1.31 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 3jsf n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jsf n LYS 66 N -1.11 -1.33 -4.76 1.61 4.76 -1.26 -4.90 118.16 111.17 3jsf n LYS 66 Ca 0.00 1.10 -0.33 0.00 -2.87 0.00 0.00 58.31 56.21 3jsf n LYS 66 Cb 0.07 -5.43 -0.16 0.00 -1.84 0.00 0.00 35.03 27.66 3jsf n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3jsf s ILE 67 N -2.74 2.54 0.00 -0.18 -1.09 -1.26 -4.81 121.20 113.66 3jsf s ILE 67 Ca 0.00 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 3jsf s ILE 67 Cb 0.00 -2.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.84 3jsf s ILE 67 CO 0.00 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 3jsf n GLY 68 N 3.81 -0.60 0.14 6.18 0.00 -1.26 -4.98 105.19 108.48 3jsf n GLY 68 Ca -0.19 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 3jsf n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jsf h GLY 69 N 0.00 -1.38 1.44 -0.02 0.00 -1.99 0.20 103.07 101.32 3jsf h GLY 69 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 47.33 47.82 3jsf h GLY 69 CO 0.00 -0.46 -0.54 0.00 0.00 0.00 0.00 176.54 175.54 3jsf h ALA 70 N -1.12 0.68 -0.60 3.60 0.00 -2.00 -2.81 119.26 117.01 3jsf h ALA 70 Ca 0.01 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3jsf h ALA 70 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3jsf h ALA 70 CO -0.12 0.69 0.36 1.96 0.00 0.00 0.00 179.25 182.13 3jsf h GLN 71 N 0.45 0.83 -0.40 0.00 4.20 -1.88 -1.34 115.11 116.97 3jsf h GLN 71 Ca 0.01 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 3jsf h GLN 71 Cb 1.09 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3jsf h GLN 71 CO 0.10 0.60 -0.14 -0.91 -0.67 0.00 0.00 178.83 177.82 3jsf h ASN 72 N 0.82 0.72 -0.48 1.46 2.35 -0.55 0.96 115.58 120.86 3jsf h ASN 72 Ca 0.22 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3jsf h ASN 72 Cb -0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3jsf h ASN 72 CO -0.04 0.87 0.04 0.03 -1.65 0.00 0.00 177.43 176.69 3jsf h ARG 73 N 0.65 0.88 -0.42 0.81 3.08 -1.22 -0.73 114.38 117.42 3jsf h ARG 73 Ca 0.11 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 3jsf h ARG 73 Cb 0.61 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3jsf h ARG 73 CO 0.04 0.85 0.05 1.03 -1.07 0.00 0.00 179.97 180.86 3jsf h SER 74 N 0.82 0.69 -0.95 7.04 0.87 -0.61 -2.28 113.55 119.14 3jsf h SER 74 Ca 0.16 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3jsf h SER 74 Cb 0.43 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3jsf h SER 74 CO 0.02 0.80 0.63 1.88 -0.53 0.00 0.00 176.83 179.62 3jsf h TYR 75 N 0.57 1.19 -0.65 2.24 0.05 -0.50 -1.87 116.97 118.00 3jsf h TYR 75 Ca 0.13 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 3jsf h TYR 75 Cb 0.41 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3jsf h TYR 75 CO 0.03 0.74 0.12 0.77 -1.05 0.00 0.00 178.16 178.77 3jsf h SER 76 N 1.27 1.02 -0.15 3.88 0.02 -0.96 0.15 113.55 118.79 3jsf h SER 76 Ca 0.35 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3jsf h SER 76 Cb -0.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 3jsf h SER 76 CO -0.08 1.01 0.08 0.50 -1.14 0.00 0.00 176.83 177.19 3jsf h LYS 77 N 0.99 0.21 0.03 3.45 3.64 -1.19 0.58 116.57 124.28 3jsf h LYS 77 Ca 0.20 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3jsf h LYS 77 Cb 0.42 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3jsf h LYS 77 CO 0.01 0.25 -0.07 1.25 -2.27 0.00 0.00 179.45 178.62 3jsf h LEU 78 N 0.12 -0.20 -0.01 5.20 5.85 -0.99 -0.63 115.31 124.65 3jsf h LEU 78 Ca 0.05 0.03 -0.27 0.00 0.84 0.00 0.00 57.88 58.53 3jsf h LEU 78 Cb 0.10 0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.24 3jsf h LEU 78 CO -0.01 -0.11 -1.06 -0.07 -0.34 0.00 0.00 178.44 176.85 3jsf h LEU 79 N -0.14 0.85 -1.02 2.25 3.38 -0.63 -1.97 115.31 118.03 3jsf h LEU 79 Ca 0.02 -0.69 -0.04 0.00 0.09 0.00 0.00 57.88 57.26 3jsf h LEU 79 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3jsf h LEU 79 CO -0.06 1.50 0.23 0.00 0.09 0.00 0.00 178.44 180.20 3jsf h GLY 81 N 1.02 0.89 1.13 0.00 0.00 -0.88 -0.87 103.07 104.36 3jsf h GLY 81 Ca 0.21 -0.36 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 3jsf h GLY 81 CO -0.02 0.35 -0.34 1.41 0.00 0.00 0.00 176.54 177.95 3jsf h LEU 82 N 0.84 1.01 -0.79 3.11 3.38 -1.04 -1.82 115.31 120.00 3jsf h LEU 82 Ca 0.22 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 3jsf h LEU 82 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3jsf h LEU 82 CO -0.04 1.24 -0.42 -0.07 0.09 0.00 0.00 178.44 179.24 3jsf h LEU 83 N 0.80 0.41 -0.16 1.67 3.38 -1.00 0.58 115.31 120.99 3jsf h LEU 83 Ca 0.08 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3jsf h LEU 83 Cb 0.93 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3jsf h LEU 83 CO 0.09 0.79 -0.13 0.00 0.09 0.00 0.00 178.44 179.28 3jsf h ALA 84 N 1.23 0.23 -0.22 1.53 0.00 -1.07 -0.78 119.26 120.18 3jsf h ALA 84 Ca 0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 3jsf h ALA 84 Cb 0.88 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3jsf h ALA 84 CO 0.07 0.09 -0.35 1.49 0.00 0.00 0.00 179.25 180.55 3jsf h GLU 85 N 0.01 0.62 0.06 0.00 4.57 -1.19 -1.61 114.58 117.03 3jsf h GLU 85 Ca 0.03 -0.38 -0.34 0.00 -1.18 0.00 0.00 59.36 57.49 3jsf h GLU 85 Cb 0.64 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.23 3jsf h GLU 85 CO 0.03 0.99 -1.98 0.54 -1.18 0.00 0.00 179.01 177.42 3jsf n ARG 86 N -4.27 0.70 0.00 1.92 5.12 0.18 -4.40 116.66 115.91 3jsf n ARG 86 Ca -0.05 0.24 0.04 0.00 -1.93 0.00 0.00 57.85 56.15 3jsf n ARG 86 Cb 0.51 -1.70 0.04 0.00 -1.16 0.00 0.00 32.46 30.14 3jsf n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3jsf n LEU 87 N -3.23 1.72 -3.49 0.55 4.77 -0.38 -4.61 117.00 112.32 3jsf n LEU 87 Ca -0.28 -1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 54.45 3jsf n LEU 87 Cb 1.05 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.19 3jsf n LEU 87 CO 0.42 0.34 0.13 0.54 -1.33 0.00 0.00 177.39 177.49 3jsf n ARG 88 N 0.48 -6.30 -3.73 3.23 1.74 -0.61 -4.95 116.66 106.53 3jsf n ARG 88 Ca 0.05 0.78 -0.36 0.00 -0.77 0.00 0.00 57.85 57.55 3jsf n ARG 88 Cb 0.22 -5.72 -0.09 0.00 -1.02 0.00 0.00 32.46 25.84 3jsf n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jsf s ILE 89 N -3.25 5.26 0.25 0.55 1.01 -0.97 -4.93 121.20 119.12 3jsf s ILE 89 Ca 0.52 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 3jsf s ILE 89 Cb -0.24 -3.43 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 3jsf s ILE 89 CO 0.64 0.39 1.48 -0.55 0.00 0.00 0.00 174.94 176.90 3jsf s SER 90 N 0.79 6.58 0.55 3.58 0.15 -1.26 -3.29 113.70 120.80 3jsf s SER 90 Ca 0.07 2.73 0.25 0.00 0.70 0.00 0.00 55.95 59.70 3jsf s SER 90 Cb -0.13 -2.62 1.45 0.00 -1.71 0.00 0.00 66.02 63.01 3jsf s SER 90 CO 0.02 -0.76 2.03 -0.65 1.20 0.00 0.00 173.24 175.08 3jsf h PRO 91 N 5.09 0.00 -0.05 5.44 0.11 -1.97 0.59 132.00 141.21 3jsf h PRO 91 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jsf h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jsf h PRO 91 CO 0.79 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3jsf n ASP 92 N -4.20 0.46 -0.86 -2.05 5.75 -1.26 -2.59 116.55 111.80 3jsf n ASP 92 Ca 0.06 -1.56 0.01 0.00 -0.01 0.00 0.00 54.79 53.29 3jsf n ASP 92 Cb 0.48 -0.03 0.18 0.00 -1.03 0.00 0.00 41.12 40.72 3jsf n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jsf n ARG 93 N -0.46 1.90 -4.95 0.11 1.74 0.20 -4.99 116.66 110.21 3jsf n ARG 93 Ca 0.13 -3.42 -0.28 0.00 -0.77 0.00 0.00 57.85 53.51 3jsf n ARG 93 Cb 0.13 -1.73 -0.17 0.00 -1.02 0.00 0.00 32.46 29.67 3jsf n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jsf s VAL 94 N -3.44 1.63 -0.03 1.55 1.01 -1.07 -1.33 120.40 118.72 3jsf s VAL 94 Ca 0.41 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3jsf s VAL 94 Cb 0.38 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3jsf s VAL 94 CO -0.05 0.46 -0.18 -0.31 0.00 0.00 0.00 175.10 175.03 3jsf s TYR 95 N 0.26 2.59 -0.13 5.22 2.02 -0.55 -4.99 117.35 121.77 3jsf s TYR 95 Ca -0.11 -0.24 -0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3jsf s TYR 95 Cb -0.15 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3jsf s TYR 95 CO 0.05 0.13 -0.07 0.42 -1.57 0.00 0.00 175.55 174.51 3jsf s ILE 96 N -0.72 1.06 -0.17 2.71 1.01 -1.26 0.08 121.20 123.91 3jsf s ILE 96 Ca 0.11 -0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 3jsf s ILE 96 Cb -0.10 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3jsf s ILE 96 CO 0.00 0.27 0.59 0.20 0.00 0.00 0.00 174.94 176.01 3jsf s ASN 97 N 1.68 6.69 -0.17 3.58 0.01 0.11 -4.95 114.94 121.89 3jsf s ASN 97 Ca 0.03 0.84 -0.08 0.00 -0.71 0.00 0.00 52.86 52.93 3jsf s ASN 97 Cb -0.14 -2.33 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 3jsf s ASN 97 CO -0.08 -0.19 0.11 -0.31 -1.51 0.00 0.00 177.10 175.12 3jsf s TYR 98 N 1.52 3.41 -0.13 2.20 2.02 -1.26 -0.92 117.35 124.19 3jsf s TYR 98 Ca 0.28 0.31 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 3jsf s TYR 98 Cb -0.16 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 3jsf s TYR 98 CO 0.11 0.37 -0.14 0.71 -1.57 0.00 0.00 175.55 175.02 3jsf s TYR 99 N 0.01 2.05 -0.44 2.71 2.02 -0.19 -4.98 117.35 118.53 3jsf s TYR 99 Ca 0.09 -1.06 -0.24 0.00 -0.37 0.00 0.00 57.07 55.49 3jsf s TYR 99 Cb -0.12 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 39.97 3jsf s TYR 99 CO -0.00 -0.57 0.81 0.34 -1.57 0.00 0.00 175.55 174.56 3jsf s ASP 100 N 1.25 6.44 -0.09 2.29 -1.08 -1.26 -1.69 116.67 122.53 3jsf s ASP 100 Ca -0.01 -0.02 -0.14 0.00 -0.52 0.00 0.00 52.55 51.87 3jsf s ASP 100 Cb -0.14 -2.40 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 3jsf s ASP 100 CO -0.06 -0.93 0.34 -0.04 0.52 0.00 0.00 175.17 175.00 3jsf s MET 101 N 3.37 4.01 0.20 4.34 -1.94 0.60 -4.92 119.30 124.97 3jsf s MET 101 Ca 0.32 0.23 -0.30 0.00 -1.71 0.00 0.00 55.69 54.22 3jsf s MET 101 Cb -0.12 -3.31 -0.08 0.00 2.01 0.00 0.00 34.83 33.33 3jsf s MET 101 CO 0.23 0.49 1.10 1.21 -0.01 0.00 0.00 175.02 178.04 3jsf s ASN 102 N -0.35 7.26 0.54 3.03 3.84 -1.26 -4.05 114.94 123.95 3jsf s ASN 102 Ca 0.20 2.14 0.23 0.00 0.21 0.00 0.00 52.86 55.63 3jsf s ASN 102 Cb -0.15 -2.61 1.44 0.00 -0.55 0.00 0.00 41.25 39.38 3jsf s ASN 102 CO 0.08 -0.21 2.10 0.00 -2.79 0.00 0.00 177.10 176.29 3jsf h ALA 103 N 4.83 2.07 0.00 1.71 0.00 -1.94 0.30 119.26 126.23 3jsf h ALA 103 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3jsf h ALA 103 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3jsf h ALA 103 CO 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3jsf n ALA 104 N -2.51 1.81 -0.38 0.00 0.00 -1.26 -2.36 120.51 115.80 3jsf n ALA 104 Ca 0.02 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.57 3jsf n ALA 104 Cb 0.29 -1.38 0.26 0.00 0.00 0.00 0.00 19.45 18.63 3jsf n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jsf n ASN 105 N -2.04 3.71 -4.14 0.00 5.03 0.11 -4.81 115.26 113.11 3jsf n ASN 105 Ca 0.03 -2.14 -0.33 0.00 0.87 0.00 0.00 54.58 53.01 3jsf n ASN 105 Cb 0.26 -0.41 -0.15 0.00 -1.02 0.00 0.00 39.78 38.46 3jsf n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3jsf s VAL 106 N -1.26 2.51 0.13 2.41 1.01 -1.10 -4.93 120.40 119.16 3jsf s VAL 106 Ca 0.39 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 3jsf s VAL 106 Cb 0.22 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 3jsf s VAL 106 CO 0.24 0.15 0.54 -0.83 0.00 0.00 0.00 175.10 175.19 3jsf s GLY 107 N 1.24 2.47 -0.28 4.51 0.00 -1.26 -2.46 107.32 111.54 3jsf s GLY 107 Ca -0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.32 3jsf s GLY 107 CO -0.06 0.16 0.84 0.86 0.00 0.00 0.00 173.10 174.90 3jsf s TRP 108 N -1.42 -0.70 -1.37 1.90 -0.00 0.31 -4.96 118.94 112.72 3jsf s TRP 108 Ca 0.36 1.63 -0.01 0.00 -0.00 0.00 0.00 56.10 58.08 3jsf s TRP 108 Cb -0.15 0.35 0.01 0.00 -0.00 0.00 0.00 33.47 33.68 3jsf s TRP 108 CO 0.19 -0.34 0.62 -1.71 -0.00 0.00 0.00 176.95 175.71 3jsf n ASN 109 N 2.77 -1.15 0.00 5.86 4.05 -1.26 -1.08 115.26 124.46 3jsf n ASN 109 Ca -0.14 -0.89 0.00 0.00 0.45 0.00 0.00 54.58 54.00 3jsf n ASN 109 Cb 0.56 -3.65 0.00 0.00 1.23 0.00 0.00 39.78 37.92 3jsf n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3jsf n ASN 110 N -3.01 -1.32 0.00 1.20 3.02 -1.26 -4.92 115.26 108.98 3jsf n ASN 110 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 3jsf n ASN 110 Cb 0.67 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 3jsf n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jsf n SER 111 N -0.10 0.00 -4.25 6.41 2.88 -0.24 -5.19 113.62 113.13 3jsf n SER 111 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 3jsf n SER 111 Cb 0.05 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.42 3jsf n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3jsf s THR 112 N -0.31 0.79 -2.29 2.46 -4.23 -1.26 -0.53 115.64 110.28 3jsf s THR 112 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3jsf s THR 112 Cb 0.00 -2.51 0.52 0.00 1.34 0.00 0.00 72.50 71.85 3jsf s THR 112 CO 0.00 0.00 1.66 0.49 -0.54 0.00 0.00 174.62 176.23 3jsf n PHE 113 N -0.82 0.11 0.52 3.99 3.72 -1.00 -2.55 117.46 121.44 3jsf n PHE 113 Ca -0.05 -0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.42 3jsf n PHE 113 Cb 0.66 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.63 3jsf n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jsf h ALA 114 N 4.07 1.00 0.00 4.37 0.00 -1.82 -3.45 119.26 123.43 3jsf h ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jsf h ALA 114 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jsf h ALA 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53