#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 0.65 -0.09 -0.52 0.23 -0.53 -1.58 119.30 117.45 3jsf s MET 2 Ca 0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 55.69 54.39 3jsf s MET 2 Cb 0.00 -0.62 0.01 0.00 -1.53 0.00 0.00 34.83 32.69 3jsf s MET 2 CO 0.00 0.17 -0.16 0.12 -2.03 0.00 0.00 175.02 173.12 3jsf s PHE 3 N -0.21 1.92 -0.08 3.16 5.36 -0.31 -1.33 117.98 126.49 3jsf s PHE 3 Ca 0.03 -0.82 0.04 0.00 -0.96 0.00 0.00 56.93 55.22 3jsf s PHE 3 Cb -0.03 -1.36 -0.01 0.00 -0.34 0.00 0.00 43.02 41.28 3jsf s PHE 3 CO -0.00 -0.39 -0.20 0.42 -1.46 0.00 0.00 175.22 173.58 3jsf s ILE 4 N 0.73 2.44 -0.18 3.12 -1.09 -0.62 -1.15 121.20 124.45 3jsf s ILE 4 Ca -0.12 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.40 3jsf s ILE 4 Cb -0.16 -1.95 0.02 0.00 -1.58 0.00 0.00 42.46 38.80 3jsf s ILE 4 CO 0.03 0.56 -0.19 0.68 -1.23 0.00 0.00 174.94 174.78 3jsf s VAL 5 N -0.01 1.99 -0.17 2.92 -7.23 0.33 -1.70 120.40 116.53 3jsf s VAL 5 Ca -0.07 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.16 3jsf s VAL 5 Cb -0.15 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3jsf s VAL 5 CO 0.05 0.53 -0.00 0.20 -0.31 0.00 0.00 175.10 175.57 3jsf s ASN 6 N 1.31 5.05 0.04 4.85 0.01 -0.43 0.08 114.94 125.84 3jsf s ASN 6 Ca 0.05 -0.08 -0.10 0.00 -0.71 0.00 0.00 52.86 52.01 3jsf s ASN 6 Cb -0.13 -1.84 0.01 0.00 0.41 0.00 0.00 41.25 39.69 3jsf s ASN 6 CO -0.13 0.15 0.22 0.28 -1.51 0.00 0.00 177.10 176.11 3jsf s THR 7 N 0.50 0.10 -2.30 1.60 -1.32 -0.25 -0.77 115.64 113.19 3jsf s THR 7 Ca -0.01 -0.82 0.26 0.00 -1.21 0.00 0.00 61.69 59.91 3jsf s THR 7 Cb -0.14 -0.88 0.60 0.00 -1.51 0.00 0.00 72.50 70.58 3jsf s THR 7 CO 0.02 -0.45 1.80 -0.46 -2.21 0.00 0.00 174.62 173.31 3jsf n ASN 8 N 0.73 1.10 -4.74 8.08 6.94 -1.22 -1.06 115.26 125.08 3jsf n ASN 8 Ca -0.19 -1.44 -0.41 0.00 -0.02 0.00 0.00 54.58 52.52 3jsf n ASN 8 Cb 0.59 -0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 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 -1.95 2.82 0.61 3.53 1.01 -1.26 -4.33 120.40 120.82 3jsf s VAL 9 Ca 0.38 0.68 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 3jsf s VAL 9 Cb 0.20 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3jsf s VAL 9 CO 0.31 0.11 1.12 -2.16 0.00 0.00 0.00 175.10 174.48 3jsf s PRO 10 N -0.28 3.03 0.38 2.72 0.04 -1.26 -1.02 135.00 138.61 3jsf s PRO 10 Ca 0.59 1.51 0.09 0.00 0.04 0.00 0.00 61.00 63.23 3jsf s PRO 10 Cb -0.40 -1.97 0.84 0.00 0.04 0.00 0.00 34.50 33.01 3jsf s PRO 10 CO 0.42 -1.09 1.93 -0.09 0.04 0.00 0.00 177.00 178.21 3jsf h ARG 11 N 0.56 0.63 0.00 4.56 2.43 -1.93 -0.43 114.38 120.20 3jsf h ARG 11 Ca -0.48 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3jsf h ARG 11 Cb 1.26 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3jsf h ARG 11 CO 0.55 0.41 -0.01 0.00 -1.51 0.00 0.00 179.97 179.42 3jsf h ALA 12 N 1.62 1.55 -0.00 2.80 0.00 -2.03 -1.85 119.26 121.36 3jsf h ALA 12 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3jsf h ALA 12 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3jsf h ALA 12 CO -0.13 0.01 -0.32 0.43 0.00 0.00 0.00 179.25 179.24 3jsf n SER 13 N -3.90 0.49 -4.63 0.00 7.64 -0.17 -4.77 113.62 108.28 3jsf n SER 13 Ca -0.03 -0.27 -0.43 0.00 1.01 0.00 0.00 58.87 59.15 3jsf n SER 13 Cb 0.09 0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.85 4.16 0.44 0.44 1.01 -0.70 -4.79 120.40 118.12 3jsf s VAL 14 Ca 0.16 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 3jsf s VAL 14 Cb 0.18 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 3jsf s VAL 14 CO 0.61 -0.49 1.06 -2.16 0.00 0.00 0.00 175.10 174.13 3jsf s PRO 15 N 4.15 3.96 0.10 2.72 0.04 -1.26 -4.96 135.00 139.75 3jsf s PRO 15 Ca 0.56 1.50 -0.36 0.00 0.04 0.00 0.00 61.00 62.74 3jsf s PRO 15 Cb -0.16 -2.35 -0.15 0.00 0.04 0.00 0.00 34.50 31.87 3jsf s PRO 15 CO 0.23 -0.32 1.46 -0.25 0.04 0.00 0.00 177.00 178.16 3jsf n ASP 16 N -0.48 2.28 0.00 6.66 10.43 -1.26 -2.07 116.55 132.11 3jsf n ASP 16 Ca 0.07 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.53 3jsf n ASP 16 Cb 0.50 -1.29 0.00 0.00 1.84 0.00 0.00 41.12 42.18 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 2.96 0.30 0.08 0.44 0.00 -1.26 -4.99 105.19 102.72 3jsf n GLY 17 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.10 -0.57 1.61 3.57 -1.80 -0.78 116.94 118.87 3jsf h PHE 18 Ca 0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3jsf h PHE 18 Cb 0.00 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3jsf h PHE 18 CO 0.00 0.01 0.21 -0.07 -2.23 0.00 0.00 178.31 176.23 3jsf h LEU 19 N -0.19 0.76 -0.50 0.59 3.38 -1.94 -1.20 115.31 116.21 3jsf h LEU 19 Ca -0.01 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 3jsf h LEU 19 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3jsf h LEU 19 CO 0.02 0.70 -0.57 0.28 0.09 0.00 0.00 178.44 178.96 3jsf h SER 20 N 0.82 0.61 -0.31 -0.43 0.02 -1.92 -0.28 113.55 112.05 3jsf h SER 20 Ca 0.19 -0.33 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 3jsf h SER 20 Cb 0.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3jsf h SER 20 CO -0.01 1.05 -0.19 -0.08 -1.14 0.00 0.00 176.83 176.46 3jsf h GLU 21 N 0.41 0.68 -0.42 3.45 4.81 -0.79 -0.68 114.58 122.03 3jsf h GLU 21 Ca 0.00 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3jsf h GLU 21 Cb 1.12 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3jsf h GLU 21 CO 0.11 0.91 0.20 -0.07 -0.73 0.00 0.00 179.01 179.43 3jsf h LEU 22 N 0.44 0.28 -0.16 1.64 3.38 -1.13 -0.04 115.31 119.72 3jsf h LEU 22 Ca 0.07 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3jsf h LEU 22 Cb 0.73 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3jsf h LEU 22 CO 0.05 0.20 0.04 0.74 0.09 0.00 0.00 178.44 179.56 3jsf h THR 23 N 0.41 0.94 -0.16 0.22 2.02 -0.81 -0.66 112.91 114.85 3jsf h THR 23 Ca 0.18 -0.04 -0.21 0.00 0.77 0.00 0.00 66.41 67.12 3jsf h THR 23 Cb 0.11 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3jsf h THR 23 CO -0.14 0.02 -0.72 0.06 0.37 0.00 0.00 175.52 175.11 3jsf h GLN 24 N 0.10 0.73 -0.17 6.66 -0.00 -0.90 -1.75 115.11 119.78 3jsf h GLN 24 Ca 0.07 -0.57 -0.10 0.00 -0.00 0.00 0.00 58.65 58.06 3jsf h GLN 24 Cb 0.06 0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 3jsf h GLN 24 CO -0.09 1.18 -0.32 1.96 -0.00 0.00 0.00 178.83 181.56 3jsf h GLN 25 N 0.51 0.35 -0.07 0.06 1.08 -0.93 -1.86 115.11 114.25 3jsf h GLN 25 Ca -0.04 -0.14 -0.22 0.00 -1.45 0.00 0.00 58.65 56.80 3jsf h GLN 25 Cb 1.34 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 3jsf h GLN 25 CO 0.15 0.64 -0.84 -0.07 -0.95 0.00 0.00 178.83 177.75 3jsf h LEU 26 N 0.30 0.68 -0.43 1.46 3.38 -1.04 -0.69 115.31 118.98 3jsf h LEU 26 Ca 0.04 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.56 3jsf h LEU 26 Cb 0.72 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3jsf h LEU 26 CO 0.05 1.26 0.22 0.00 0.09 0.00 0.00 178.44 180.07 3jsf h ALA 27 N 0.71 0.54 -0.27 1.53 0.00 -1.16 -0.02 119.26 120.60 3jsf h ALA 27 Ca -0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3jsf h ALA 27 Cb 1.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3jsf h ALA 27 CO 0.16 -0.12 0.09 0.37 0.00 0.00 0.00 179.25 179.74 3jsf h GLN 28 N 0.45 0.41 -0.12 0.00 5.75 -1.27 0.11 115.11 120.44 3jsf h GLN 28 Ca 0.18 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.48 3jsf h GLN 28 Cb 0.07 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3jsf h GLN 28 CO -0.12 0.46 -0.46 0.00 -2.65 0.00 0.00 178.83 176.06 3jsf h ALA 29 N 0.93 0.98 0.00 3.38 0.00 -0.92 -3.02 119.26 120.61 3jsf h ALA 29 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3jsf h ALA 29 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3jsf h ALA 29 CO -0.00 0.64 -0.62 0.25 0.00 0.00 0.00 179.25 179.51 3jsf n THR 30 N -3.99 0.03 -1.92 0.00 -2.24 -0.04 -4.94 114.28 101.18 3jsf n THR 30 Ca -0.02 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 3jsf n THR 30 Cb 0.52 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.48 0.46 3.57 3.38 0.00 0.33 -5.00 105.19 109.41 3jsf n GLY 31 Ca 0.05 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.08 2.47 0.50 1.61 1.02 -0.79 -5.04 119.74 115.43 3jsf s LYS 32 Ca 0.00 -0.77 -0.23 0.00 0.02 0.00 0.00 55.97 55.00 3jsf s LYS 32 Cb 0.00 -2.44 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 3jsf s LYS 32 CO 0.00 0.59 1.31 -1.25 -0.92 0.00 0.00 175.35 175.08 3jsf s PRO 33 N -1.40 3.44 0.53 -1.68 0.04 -1.26 -4.49 135.00 130.18 3jsf s PRO 33 Ca 0.16 2.12 0.23 0.00 0.04 0.00 0.00 61.00 63.55 3jsf s PRO 33 Cb -0.11 -2.38 1.39 0.00 0.04 0.00 0.00 34.50 33.43 3jsf s PRO 33 CO 0.07 -0.91 2.05 -1.35 0.04 0.00 0.00 177.00 176.89 3jsf h PRO 34 N 1.82 0.00 -0.40 0.56 0.11 -1.92 -1.69 132.00 130.48 3jsf h PRO 34 Ca -0.50 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.72 3jsf h PRO 34 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3jsf h PRO 34 CO 0.59 0.00 0.31 1.96 -0.21 0.00 0.00 178.00 180.64 3jsf h GLN 35 N 0.00 0.00 0.00 1.05 7.50 -1.98 -1.28 115.11 120.40 3jsf h GLN 35 Ca 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.30 3jsf h GLN 35 Cb 0.69 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.22 3jsf h GLN 35 CO -0.00 0.00 -0.47 1.88 -1.50 0.00 0.00 178.83 178.74 3jsf h TYR 36 N 0.00 0.00 -3.34 2.96 0.05 -1.67 -3.47 116.97 111.50 3jsf h TYR 36 Ca 0.19 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.42 3jsf h TYR 36 Cb 0.80 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.50 3jsf h TYR 36 CO 0.00 0.09 0.40 0.42 -1.05 0.00 0.00 178.16 178.02 3jsf s ILE 37 N -3.21 4.87 -0.08 -2.88 -1.09 -0.48 -4.04 121.20 114.29 3jsf s ILE 37 Ca 0.04 1.93 0.02 0.00 -2.23 0.00 0.00 60.65 60.40 3jsf s ILE 37 Cb 0.07 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 3jsf s ILE 37 CO 0.73 0.11 -0.13 0.00 -1.23 0.00 0.00 174.94 174.41 3jsf s ALA 38 N 1.42 2.67 0.03 9.38 0.00 -0.62 -5.04 121.76 129.61 3jsf s ALA 38 Ca 0.47 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.53 3jsf s ALA 38 Cb -0.19 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3jsf s ALA 38 CO 0.22 0.45 -0.13 0.14 0.00 0.00 0.00 175.76 176.44 3jsf s VAL 39 N -0.37 1.01 -0.08 0.00 -7.23 -1.26 -1.16 120.40 111.31 3jsf s VAL 39 Ca 0.04 -0.92 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 3jsf s VAL 39 Cb -0.12 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 35.94 3jsf s VAL 39 CO 0.02 0.00 0.14 -2.28 -0.31 0.00 0.00 175.10 172.68 3jsf s HIS 40 N -0.81 -0.14 -0.13 2.82 5.04 -0.30 -4.97 115.29 116.80 3jsf s HIS 40 Ca 0.01 0.55 0.02 0.00 -1.54 0.00 0.00 55.06 54.11 3jsf s HIS 40 Cb -0.07 -0.28 0.00 0.00 0.04 0.00 0.00 32.58 32.27 3jsf s HIS 40 CO 0.01 -0.25 -0.21 0.08 -2.34 0.00 0.00 174.74 172.02 3jsf s VAL 41 N 2.22 2.19 -0.38 0.89 1.01 -1.26 -0.51 120.40 124.55 3jsf s VAL 41 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3jsf s VAL 41 Cb -0.12 -1.87 0.11 0.00 0.00 0.00 0.00 36.38 34.50 3jsf s VAL 41 CO -0.05 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.04 3jsf s VAL 42 N 0.68 1.77 0.90 2.92 1.01 0.11 -4.98 120.40 122.82 3jsf s VAL 42 Ca -0.10 -2.30 -0.11 0.00 0.00 0.00 0.00 61.98 59.47 3jsf s VAL 42 Cb -0.16 -2.29 0.19 0.00 0.00 0.00 0.00 36.38 34.13 3jsf s VAL 42 CO 0.01 -0.72 1.24 -2.16 0.00 0.00 0.00 175.10 173.48 3jsf s PRO 43 N 0.77 0.80 -1.76 2.72 0.04 -1.26 -1.09 135.00 135.23 3jsf s PRO 43 Ca 0.13 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.43 3jsf s PRO 43 Cb -0.21 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3jsf s PRO 43 CO -0.10 -2.21 0.00 -0.25 0.04 0.00 0.00 177.00 174.48 3jsf n ASP 44 N -3.52 -5.37 -4.82 6.66 8.00 -0.19 -4.81 116.55 112.51 3jsf n ASP 44 Ca 0.16 0.17 -0.35 0.00 0.71 0.00 0.00 54.79 55.49 3jsf n ASP 44 Cb 0.60 -4.46 -0.06 0.00 -0.02 0.00 0.00 41.12 37.17 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 -4.42 4.28 -0.71 -1.24 -1.52 -0.23 -4.94 119.66 110.88 3jsf s GLN 45 Ca 0.00 1.02 -0.23 0.00 -1.95 0.00 0.00 55.36 54.20 3jsf s GLN 45 Cb 0.00 -2.54 0.06 0.00 -0.22 0.00 0.00 33.01 30.31 3jsf s GLN 45 CO 0.00 0.18 1.07 -1.17 -0.25 0.00 0.00 175.29 175.12 3jsf s LEU 46 N -2.59 4.11 0.09 2.90 2.96 -1.26 -4.07 118.68 120.82 3jsf s LEU 46 Ca 0.53 -0.95 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 3jsf s LEU 46 Cb -0.13 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.10 3jsf s LEU 46 CO 0.18 -1.51 0.22 0.00 -1.32 0.00 0.00 176.35 173.92 3jsf s MET 47 N 4.40 0.86 0.04 1.98 0.23 -1.26 -5.08 119.30 120.47 3jsf s MET 47 Ca 0.27 -0.90 0.04 0.00 -1.03 0.00 0.00 55.69 54.06 3jsf s MET 47 Cb -0.13 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 3jsf s MET 47 CO 0.09 -0.28 -0.11 0.00 -2.03 0.00 0.00 175.02 172.70 3jsf s ALA 48 N -3.74 0.85 -0.12 3.16 0.00 -1.26 -4.65 121.76 116.00 3jsf s ALA 48 Ca 0.04 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 3jsf s ALA 48 Cb 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3jsf s ALA 48 CO -0.11 0.10 -0.08 0.12 0.00 0.00 0.00 175.76 175.79 3jsf s PHE 49 N -1.11 1.61 -1.86 0.00 2.19 -0.48 -4.68 117.98 113.65 3jsf s PHE 49 Ca -0.04 -0.84 0.00 0.00 0.33 0.00 0.00 56.93 56.38 3jsf s PHE 49 Cb -0.09 -1.30 0.00 0.00 -1.31 0.00 0.00 43.02 40.32 3jsf s PHE 49 CO 0.01 -0.55 0.00 0.41 1.83 0.00 0.00 175.22 176.92 3jsf n GLY 50 N 4.91 0.88 2.47 13.12 0.00 -1.26 -1.86 105.19 123.45 3jsf n GLY 50 Ca -0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.79 1.28 3.78 -0.02 0.00 -1.26 -5.02 105.19 103.15 3jsf n GLY 51 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.15 5.71 -0.12 1.61 0.15 -0.78 -5.01 113.70 112.11 3jsf s SER 52 Ca 0.00 0.20 0.16 0.00 0.70 0.00 0.00 55.95 57.01 3jsf s SER 52 Cb 0.00 -1.67 0.67 0.00 -1.71 0.00 0.00 66.02 63.31 3jsf s SER 52 CO 0.00 0.32 1.57 -1.54 1.20 0.00 0.00 173.24 174.78 3jsf n SER 53 N 1.51 4.51 -4.61 5.45 3.41 -1.26 -1.38 113.62 121.25 3jsf n SER 53 Ca -0.15 -2.46 -0.31 0.00 -0.26 0.00 0.00 58.87 55.69 3jsf n SER 53 Cb 0.53 -0.57 0.17 0.00 -0.26 0.00 0.00 64.21 64.09 3jsf n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jsf n GLU 54 N 0.97 -0.71 -1.61 4.33 1.02 -1.26 -4.87 120.64 118.50 3jsf n GLU 54 Ca 0.24 -0.15 -0.48 0.00 -0.02 0.00 0.00 57.16 56.75 3jsf n GLU 54 Cb 0.86 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 3jsf n GLU 54 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3jsf n PRO 55 N -3.99 1.48 -3.96 3.49 -0.02 -1.26 -4.81 135.00 125.92 3jsf n PRO 55 Ca 0.10 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 3jsf n PRO 55 Cb 0.53 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 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 -3.98 -0.60 -0.15 0.00 0.00 -0.67 -3.42 121.76 112.94 3jsf s ALA 57 Ca 0.19 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3jsf s ALA 57 Cb -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3jsf s ALA 57 CO 0.09 -0.13 -0.20 -0.51 0.00 0.00 0.00 175.76 175.00 3jsf s LEU 58 N -0.09 2.20 0.19 0.00 1.43 0.05 -1.81 118.68 120.65 3jsf s LEU 58 Ca -0.02 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3jsf s LEU 58 Cb -0.02 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 3jsf s LEU 58 CO 0.01 0.06 -0.10 0.00 0.23 0.00 0.00 176.35 176.55 3jsf s SER 60 N -3.27 0.13 -0.12 0.00 1.04 -0.69 -0.56 113.70 110.23 3jsf s SER 60 Ca 0.22 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3jsf s SER 60 Cb 0.02 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.24 3jsf s SER 60 CO 0.05 -0.19 -0.12 -0.22 0.98 0.00 0.00 173.24 173.74 3jsf s LEU 61 N -0.91 1.49 -0.12 2.42 2.96 -0.08 -1.60 118.68 122.84 3jsf s LEU 61 Ca -0.10 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3jsf s LEU 61 Cb -0.06 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3jsf s LEU 61 CO -0.00 -0.07 0.04 -1.00 -1.32 0.00 0.00 176.35 174.00 3jsf s HIS 62 N 1.45 3.25 -0.06 5.38 3.76 -0.44 -0.71 115.29 127.91 3jsf s HIS 62 Ca 0.02 0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.97 3jsf s HIS 62 Cb -0.13 -1.91 0.03 0.00 1.11 0.00 0.00 32.58 31.68 3jsf s HIS 62 CO -0.08 0.39 0.33 0.45 -0.85 0.00 0.00 174.74 174.98 3jsf s SER 63 N -0.46 -0.27 -0.69 1.40 0.15 -0.72 -1.45 113.70 111.65 3jsf s SER 63 Ca 0.09 0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.85 3jsf s SER 63 Cb -0.12 0.49 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 3jsf s SER 63 CO 0.02 -0.31 1.13 -0.63 1.20 0.00 0.00 173.24 174.65 3jsf s ILE 64 N -0.68 4.01 0.03 6.45 1.01 -1.26 -0.57 121.20 130.19 3jsf s ILE 64 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3jsf s ILE 64 Cb -0.04 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.63 3jsf s ILE 64 CO 0.03 -1.64 0.00 0.61 0.00 0.00 0.00 174.94 173.93 3jsf n GLY 65 N 5.34 -2.07 2.46 6.18 0.00 -1.26 -4.93 105.19 110.91 3jsf n GLY 65 Ca 0.00 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.00 -1.41 -5.16 1.61 4.76 -1.26 -4.91 118.16 110.79 3jsf n LYS 66 Ca 0.00 1.06 -0.32 0.00 -2.87 0.00 0.00 58.31 56.18 3jsf n LYS 66 Cb 0.06 -5.47 -0.16 0.00 -1.84 0.00 0.00 35.03 27.62 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 -2.81 2.26 0.00 -0.18 -1.09 -1.26 -4.83 121.20 113.29 3jsf s ILE 67 Ca 0.00 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 3jsf s ILE 67 Cb 0.00 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 3jsf s ILE 67 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 3jsf n GLY 68 N 3.17 -0.07 0.00 6.18 0.00 -1.26 -4.98 105.19 108.22 3jsf n GLY 68 Ca -0.18 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3jsf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsf n GLY 69 N -0.58 -3.24 0.30 -0.02 0.00 -1.26 0.09 105.19 100.49 3jsf n GLY 69 Ca 0.00 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.51 3jsf n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jsf h ALA 70 N -1.39 0.84 -0.64 4.61 0.00 -2.00 -2.61 119.26 118.07 3jsf h ALA 70 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3jsf h ALA 70 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3jsf h ALA 70 CO 0.00 0.66 0.39 1.96 0.00 0.00 0.00 179.25 182.26 3jsf h GLN 71 N 0.93 0.87 -0.21 0.00 4.20 -1.87 -1.84 115.11 117.19 3jsf h GLN 71 Ca 0.16 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3jsf h GLN 71 Cb 0.60 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3jsf h GLN 71 CO 0.04 0.62 -0.34 -0.91 -0.67 0.00 0.00 178.83 177.56 3jsf h ASN 72 N 0.87 0.46 -0.22 1.46 2.35 -0.20 0.09 115.58 120.40 3jsf h ASN 72 Ca 0.23 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3jsf h ASN 72 Cb -0.03 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3jsf h ASN 72 CO -0.04 0.77 -0.16 0.03 -1.65 0.00 0.00 177.43 176.38 3jsf h ARG 73 N 0.38 0.64 -0.23 0.81 3.08 -1.19 -0.12 114.38 117.74 3jsf h ARG 73 Ca 0.04 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 3jsf h ARG 73 Cb 0.79 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3jsf h ARG 73 CO 0.06 0.77 -0.05 1.03 -1.07 0.00 0.00 179.97 180.71 3jsf h SER 74 N 0.57 0.45 -0.88 7.04 0.87 -0.79 -1.73 113.55 119.08 3jsf h SER 74 Ca 0.10 -0.36 0.06 0.00 -1.23 0.00 0.00 61.79 60.36 3jsf h SER 74 Cb 0.60 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 3jsf h SER 74 CO 0.04 0.70 0.55 1.88 -0.53 0.00 0.00 176.83 179.47 3jsf h TYR 75 N 0.19 1.02 -0.55 2.24 0.05 -0.77 -1.79 116.97 117.36 3jsf h TYR 75 Ca 0.06 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 3jsf h TYR 75 Cb 0.50 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 3jsf h TYR 75 CO 0.05 0.52 0.20 0.77 -1.05 0.00 0.00 178.16 178.65 3jsf h SER 76 N 1.01 0.79 -0.28 3.88 0.02 -0.81 0.33 113.55 118.48 3jsf h SER 76 Ca 0.38 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3jsf h SER 76 Cb 0.16 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3jsf h SER 76 CO -0.17 0.76 0.13 0.50 -1.14 0.00 0.00 176.83 176.91 3jsf h LYS 77 N 0.76 0.40 -0.11 3.45 3.64 -0.99 -0.30 116.57 123.42 3jsf h LYS 77 Ca 0.18 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3jsf h LYS 77 Cb 0.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3jsf h LYS 77 CO -0.01 0.39 0.05 1.25 -2.27 0.00 0.00 179.45 178.85 3jsf h LEU 78 N 0.31 0.06 0.14 5.20 5.85 -1.09 -1.55 115.31 124.23 3jsf h LEU 78 Ca 0.09 0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.52 3jsf h LEU 78 Cb 0.12 -0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.17 3jsf h LEU 78 CO -0.01 0.05 -1.30 -0.07 -0.34 0.00 0.00 178.44 176.78 3jsf h LEU 79 N 0.11 0.75 -0.91 2.25 3.38 -0.84 -2.06 115.31 117.99 3jsf h LEU 79 Ca 0.04 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 3jsf h LEU 79 Cb 0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3jsf h LEU 79 CO -0.04 1.56 0.47 0.00 0.09 0.00 0.00 178.44 180.53 3jsf h GLY 81 N 1.25 0.98 1.08 0.00 0.00 -1.15 0.62 103.07 105.84 3jsf h GLY 81 Ca 0.31 -0.38 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 3jsf h GLY 81 CO -0.05 0.37 -0.22 1.41 0.00 0.00 0.00 176.54 178.05 3jsf h LEU 82 N 0.93 0.96 -0.93 3.11 3.38 -1.05 -0.60 115.31 121.11 3jsf h LEU 82 Ca 0.25 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3jsf h LEU 82 Cb -0.08 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3jsf h LEU 82 CO -0.05 1.15 -0.18 -0.07 0.09 0.00 0.00 178.44 179.38 3jsf h LEU 83 N 0.77 0.57 -0.15 1.67 3.38 -0.84 0.54 115.31 121.25 3jsf h LEU 83 Ca 0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3jsf h LEU 83 Cb 0.79 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3jsf h LEU 83 CO 0.07 0.77 -0.13 0.00 0.09 0.00 0.00 178.44 179.23 3jsf h ALA 84 N 1.29 0.22 -0.27 1.53 0.00 -0.75 -1.13 119.26 120.14 3jsf h ALA 84 Ca 0.08 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3jsf h ALA 84 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3jsf h ALA 84 CO 0.04 0.09 -0.40 1.49 0.00 0.00 0.00 179.25 180.47 3jsf h GLU 85 N -0.01 0.75 0.06 0.00 4.81 -1.00 -2.24 114.58 116.96 3jsf h GLU 85 Ca 0.03 -0.45 -0.35 0.00 -0.13 0.00 0.00 59.36 58.46 3jsf h GLU 85 Cb 0.66 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 3jsf h GLU 85 CO 0.03 1.07 -2.05 0.54 -0.73 0.00 0.00 179.01 177.87 3jsf n ARG 86 N -4.17 0.70 0.00 1.92 5.12 0.17 -4.41 116.66 115.99 3jsf n ARG 86 Ca -0.04 0.22 0.05 0.00 -1.93 0.00 0.00 57.85 56.15 3jsf n ARG 86 Cb 0.54 -1.68 0.02 0.00 -1.16 0.00 0.00 32.46 30.18 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 -3.27 1.51 -3.51 0.55 4.77 -0.49 -4.60 117.00 111.97 3jsf n LEU 87 Ca -0.31 -0.88 -0.25 0.00 -0.03 0.00 0.00 56.01 54.54 3jsf n LEU 87 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3jsf n LEU 87 CO 0.40 0.30 0.16 0.54 -1.33 0.00 0.00 177.39 177.46 3jsf n ARG 88 N 0.16 -6.80 -3.68 3.23 1.74 -0.83 -4.96 116.66 105.51 3jsf n ARG 88 Ca 0.05 0.80 -0.36 0.00 -0.77 0.00 0.00 57.85 57.58 3jsf n ARG 88 Cb 0.23 -5.78 -0.08 0.00 -1.02 0.00 0.00 32.46 25.81 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 -3.27 5.38 0.22 0.55 1.01 -0.92 -4.95 121.20 119.21 3jsf s ILE 89 Ca 0.53 0.31 -0.30 0.00 0.00 0.00 0.00 60.65 61.19 3jsf s ILE 89 Cb -0.24 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 3jsf s ILE 89 CO 0.66 0.44 1.41 -0.55 0.00 0.00 0.00 174.94 176.90 3jsf s SER 90 N 0.26 6.73 0.56 3.58 0.15 -1.26 -3.36 113.70 120.35 3jsf s SER 90 Ca 0.11 2.57 0.25 0.00 0.70 0.00 0.00 55.95 59.58 3jsf s SER 90 Cb -0.12 -2.62 1.49 0.00 -1.71 0.00 0.00 66.02 63.07 3jsf s SER 90 CO 0.00 -0.66 2.06 -0.65 1.20 0.00 0.00 173.24 175.20 3jsf h PRO 91 N 5.35 0.00 -0.13 5.44 0.11 -1.97 0.80 132.00 141.61 3jsf h PRO 91 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 -4.13 0.90 -1.05 -2.05 5.75 -1.26 -2.77 116.55 111.95 3jsf n ASP 92 Ca 0.04 -1.75 -0.03 0.00 -0.01 0.00 0.00 54.79 53.04 3jsf n ASP 92 Cb 0.40 -0.08 0.16 0.00 -1.03 0.00 0.00 41.12 40.57 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 -0.11 2.13 -4.80 0.11 1.74 0.27 -5.00 116.66 111.00 3jsf n ARG 93 Ca 0.11 -3.50 -0.27 0.00 -0.77 0.00 0.00 57.85 53.43 3jsf n ARG 93 Cb 0.18 -1.82 -0.16 0.00 -1.02 0.00 0.00 32.46 29.64 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 -3.60 1.42 -0.01 1.55 1.01 -1.11 -1.67 120.40 117.99 3jsf s VAL 94 Ca 0.43 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3jsf s VAL 94 Cb 0.39 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3jsf s VAL 94 CO -0.03 0.42 -0.20 -0.31 0.00 0.00 0.00 175.10 174.97 3jsf s TYR 95 N 0.40 2.52 -0.13 5.22 2.02 -0.75 -5.00 117.35 121.63 3jsf s TYR 95 Ca -0.12 -0.29 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3jsf s TYR 95 Cb -0.15 -1.53 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 3jsf s TYR 95 CO 0.04 0.13 -0.04 0.42 -1.57 0.00 0.00 175.55 174.53 3jsf s ILE 96 N -0.75 0.86 -0.15 2.71 1.01 -1.26 -0.13 121.20 123.50 3jsf s ILE 96 Ca 0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.24 3jsf s ILE 96 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3jsf s ILE 96 CO 0.01 0.22 0.62 0.20 0.00 0.00 0.00 174.94 176.00 3jsf s ASN 97 N 1.76 6.77 -0.16 3.58 0.01 0.28 -4.95 114.94 122.22 3jsf s ASN 97 Ca 0.03 0.93 -0.08 0.00 -0.71 0.00 0.00 52.86 53.03 3jsf s ASN 97 Cb -0.14 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 3jsf s ASN 97 CO -0.07 -0.18 0.12 -0.31 -1.51 0.00 0.00 177.10 175.14 3jsf s TYR 98 N 1.38 3.45 -0.15 2.20 2.02 -1.26 -0.90 117.35 124.09 3jsf s TYR 98 Ca 0.31 0.36 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 3jsf s TYR 98 Cb -0.16 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.36 3jsf s TYR 98 CO 0.12 0.44 -0.14 0.71 -1.57 0.00 0.00 175.55 175.11 3jsf s TYR 99 N -0.18 2.16 -0.58 2.71 2.02 0.11 -4.97 117.35 118.63 3jsf s TYR 99 Ca 0.10 -1.21 -0.22 0.00 -0.37 0.00 0.00 57.07 55.37 3jsf s TYR 99 Cb -0.12 -1.59 0.06 0.00 -0.40 0.00 0.00 41.96 39.91 3jsf s TYR 99 CO 0.01 -0.66 0.87 0.34 -1.57 0.00 0.00 175.55 174.54 3jsf s ASP 100 N 1.47 6.25 0.11 2.29 2.15 -1.26 -1.75 116.67 125.93 3jsf s ASP 100 Ca 0.05 -0.72 -0.19 0.00 0.43 0.00 0.00 52.55 52.12 3jsf s ASP 100 Cb -0.13 -2.39 -0.07 0.00 -0.30 0.00 0.00 42.92 40.03 3jsf s ASP 100 CO -0.10 -1.22 0.60 -0.04 -0.17 0.00 0.00 175.17 174.23 3jsf s MET 101 N 3.66 4.20 0.27 4.34 -1.94 0.26 -4.90 119.30 125.19 3jsf s MET 101 Ca 0.24 0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 54.67 3jsf s MET 101 Cb -0.16 -3.15 -0.09 0.00 2.01 0.00 0.00 34.83 33.44 3jsf s MET 101 CO 0.14 0.58 1.00 1.21 -0.01 0.00 0.00 175.02 177.94 3jsf s ASN 102 N -1.28 7.42 0.52 3.03 3.84 -1.26 -4.10 114.94 123.11 3jsf s ASN 102 Ca 0.33 2.05 0.21 0.00 0.21 0.00 0.00 52.86 55.66 3jsf s ASN 102 Cb -0.19 -2.61 1.33 0.00 -0.55 0.00 0.00 41.25 39.23 3jsf s ASN 102 CO 0.20 -0.01 2.04 0.00 -2.79 0.00 0.00 177.10 176.54 3jsf h ALA 103 N 3.80 2.31 0.00 1.71 0.00 -1.94 0.17 119.26 125.30 3jsf h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3jsf h ALA 103 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3jsf h ALA 103 CO 0.67 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3jsf h ALA 104 N 1.81 1.00 -0.45 0.00 0.00 -1.92 -2.63 119.26 117.07 3jsf h ALA 104 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3jsf h ALA 104 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3jsf h ALA 104 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3jsf n ASN 105 N -2.42 4.22 -4.03 0.00 5.03 0.59 -4.85 115.26 113.80 3jsf n ASN 105 Ca 0.03 -2.61 -0.31 0.00 0.87 0.00 0.00 54.58 52.55 3jsf n ASN 105 Cb 0.31 -0.51 -0.16 0.00 -1.02 0.00 0.00 39.78 38.40 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 -2.13 1.77 0.20 2.41 1.01 -1.12 -4.89 120.40 117.65 3jsf s VAL 106 Ca 0.43 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3jsf s VAL 106 Cb 0.30 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.85 3jsf s VAL 106 CO 0.16 0.26 0.48 -0.83 0.00 0.00 0.00 175.10 175.17 3jsf s GLY 107 N 1.36 2.21 -0.29 4.51 0.00 -1.26 -2.45 107.32 111.39 3jsf s GLY 107 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 44.72 44.08 3jsf s GLY 107 CO -0.09 -0.32 1.03 0.86 0.00 0.00 0.00 173.10 174.58 3jsf s TRP 108 N -1.79 -0.49 -1.29 1.90 -0.00 0.23 -4.95 118.94 112.55 3jsf s TRP 108 Ca 0.44 1.11 -0.02 0.00 -0.00 0.00 0.00 56.10 57.63 3jsf s TRP 108 Cb -0.11 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.72 3jsf s TRP 108 CO 0.24 -0.24 0.68 -1.71 -0.00 0.00 0.00 176.95 175.91 3jsf n ASN 109 N 2.76 -1.60 0.00 5.86 4.05 -1.26 -1.57 115.26 123.50 3jsf n ASN 109 Ca -0.15 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 54.03 3jsf n ASN 109 Cb 0.57 -3.91 0.00 0.00 1.23 0.00 0.00 39.78 37.66 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 -3.02 -0.10 0.00 1.20 3.02 -1.26 -4.89 115.26 110.21 3jsf n ASN 110 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3jsf n ASN 110 Cb 0.67 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.01 0.00 -2.67 6.41 2.88 -0.61 -5.19 113.62 114.44 3jsf n SER 111 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3jsf n SER 111 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 3jsf n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jsf n THR 112 N 0.00 0.00 0.39 2.46 -2.24 -1.26 -0.60 114.28 113.04 3jsf n THR 112 Ca 0.00 -1.17 0.09 0.00 -2.27 0.00 0.00 64.05 60.71 3jsf n THR 112 Cb 0.00 0.41 0.25 0.00 -2.10 0.00 0.00 70.33 68.89 3jsf n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3jsf n PHE 113 N -0.45 0.64 -3.33 4.78 3.72 -1.01 -4.66 117.46 117.14 3jsf n PHE 113 Ca -0.03 -0.32 -0.45 0.00 -0.05 0.00 0.00 57.45 56.59 3jsf n PHE 113 Cb 0.30 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.78 3jsf n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jsf s ALA 114 N -1.36 3.61 -0.77 4.37 0.00 -1.17 -4.74 121.76 121.70 3jsf s ALA 114 Ca 0.36 -2.37 0.08 0.00 0.00 0.00 0.00 51.96 50.02 3jsf s ALA 114 Cb 0.19 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 20.26 3jsf s ALA 114 CO 0.25 -1.92 1.02 1.28 0.00 0.00 0.00 175.76 176.39 3jsf n LEU 115 N 5.27 2.28 -0.04 0.00 4.77 -1.26 -4.72 117.00 123.29 3jsf n LEU 115 Ca -0.13 -1.63 -0.10 0.00 -0.03 0.00 0.00 56.01 54.12 3jsf n LEU 115 Cb 0.41 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 3jsf n LEU 115 CO 0.52 0.54 -0.70 -0.62 -1.33 0.00 0.00 177.39 175.80 3jsf n GLU 116 N 0.30 0.65 0.00 3.23 4.71 -1.26 -5.22 120.64 123.05 3jsf n GLU 116 Ca 0.07 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 3jsf n GLU 116 Cb 0.31 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 3jsf n GLU 116 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94