#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jf2 s VAL 7 N 0.00 2.40 -0.12 0.00 -7.23 -1.26 -4.95 120.40 109.24 1jf2 s VAL 7 Ca 0.00 0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.17 1jf2 s VAL 7 Cb 0.00 -3.15 -0.02 0.00 0.56 0.00 0.00 36.38 33.77 1jf2 s VAL 7 CO 0.00 -0.00 1.13 -0.75 -0.31 0.00 0.00 175.10 175.17 1jf2 s LYS 8 N -2.84 4.33 -0.01 4.82 2.20 -1.26 -4.91 119.74 122.07 1jf2 s LYS 8 Ca 0.69 1.54 0.17 0.00 -0.36 0.00 0.00 55.97 58.01 1jf2 s LYS 8 Cb -0.37 -3.61 -0.21 0.00 -1.51 0.00 0.00 37.83 32.14 1jf2 s LYS 8 CO 0.44 -0.50 0.60 1.28 -0.36 0.00 0.00 175.35 176.80 1jf2 n LEU 9 N 5.63 0.53 -4.72 5.43 4.77 -1.26 -4.73 117.00 122.65 1jf2 n LEU 9 Ca 0.11 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.34 1jf2 n LEU 9 Cb 0.47 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1jf2 n LEU 9 CO 0.54 0.13 0.80 -0.75 -1.33 0.00 0.00 177.39 176.78 1jf2 s LYS 10 N -2.76 4.54 0.63 3.23 2.47 -1.26 -4.99 119.74 121.59 1jf2 s LYS 10 Ca 0.02 1.67 -0.12 0.00 -1.56 0.00 0.00 55.97 55.98 1jf2 s LYS 10 Cb 0.12 -3.34 -0.03 0.00 -1.46 0.00 0.00 37.83 33.12 1jf2 s LYS 10 CO 0.69 -0.05 1.03 0.95 0.16 0.00 0.00 175.35 178.13 1jf2 s THR 11 N 0.44 4.45 -0.33 3.43 -4.23 -1.26 -4.74 115.64 113.40 1jf2 s THR 11 Ca 0.53 0.86 0.17 0.00 -1.18 0.00 0.00 61.69 62.07 1jf2 s THR 11 Cb -0.28 -3.70 0.45 0.00 1.34 0.00 0.00 72.50 70.32 1jf2 s THR 11 CO 0.31 -0.98 1.03 -0.67 -0.54 0.00 0.00 174.62 173.77 1jf2 n ASP 12 N -2.67 0.85 0.32 3.99 4.64 -1.26 -4.97 116.55 117.45 1jf2 n ASP 12 Ca 0.07 -2.65 0.20 0.00 -1.38 0.00 0.00 54.79 51.03 1jf2 n ASP 12 Cb 0.54 -0.26 1.05 0.00 -1.04 0.00 0.00 41.12 41.41 1jf2 n ASP 12 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1jf2 h PHE 13 N 2.81 0.00 -0.10 -0.67 0.05 -1.94 -2.37 116.94 114.71 1jf2 h PHE 13 Ca -0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.66 1jf2 h PHE 13 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.15 1jf2 h PHE 13 CO 0.43 0.01 0.00 -0.25 -0.18 0.00 0.00 178.31 178.33 1jf2 n ASP 14 N -3.22 2.62 -4.69 2.17 9.92 -1.26 -4.74 116.55 117.35 1jf2 n ASP 14 Ca -0.02 -1.86 -0.42 0.00 -0.53 0.00 0.00 54.79 51.96 1jf2 n ASP 14 Cb 0.13 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.53 1jf2 n ASP 14 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1jf2 s ASN 15 N -1.87 6.94 0.45 -2.24 3.84 -0.89 -4.91 114.94 116.26 1jf2 s ASN 15 Ca 0.33 2.02 0.20 0.00 0.21 0.00 0.00 52.86 55.61 1jf2 s ASN 15 Cb 0.21 -2.56 1.17 0.00 -0.55 0.00 0.00 41.25 39.51 1jf2 s ASN 15 CO 0.31 -0.65 1.90 -0.65 -2.79 0.00 0.00 177.10 175.22 1jf2 h PRO 16 N 7.55 0.29 -0.25 0.43 0.11 -1.91 -0.86 132.00 137.35 1jf2 h PRO 16 Ca -0.37 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.56 1jf2 h PRO 16 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jf2 h PRO 16 CO 0.88 0.20 -0.51 0.00 -0.21 0.00 0.00 178.00 178.36 1jf2 h ARG 17 N 0.30 0.71 -0.39 1.05 3.08 -1.95 -1.38 114.38 115.81 1jf2 h ARG 17 Ca 0.40 -0.43 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1jf2 h ARG 17 Cb 1.11 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1jf2 h ARG 17 CO -0.11 1.05 -0.29 2.35 -1.07 0.00 0.00 179.97 181.89 1jf2 h TRP 18 N 0.56 1.04 -0.57 3.04 7.01 -1.49 -1.95 115.95 123.58 1jf2 h TRP 18 Ca 0.02 -0.29 -0.02 0.00 2.11 0.00 0.00 58.89 60.72 1jf2 h TRP 18 Cb 1.07 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.88 1jf2 h TRP 18 CO 0.05 1.09 0.29 0.82 -2.79 0.00 0.00 178.44 177.91 1jf2 h ILE 19 N 0.69 1.20 -0.16 2.65 2.04 -1.24 -2.67 117.51 120.01 1jf2 h ILE 19 Ca 0.07 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 1jf2 h ILE 19 Cb 0.87 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1jf2 h ILE 19 CO 0.08 0.22 -0.23 0.11 0.00 0.00 0.00 178.15 178.32 1jf2 h LYS 20 N 0.76 0.29 -0.43 2.37 1.79 -1.14 -0.35 116.57 119.86 1jf2 h LYS 20 Ca 0.20 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1jf2 h LYS 20 Cb 0.08 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1jf2 h LYS 20 CO -0.03 0.51 0.24 -0.09 -1.08 0.00 0.00 179.45 179.00 1jf2 h ARG 21 N 0.26 0.60 0.00 3.15 2.43 -1.02 -0.09 114.38 119.71 1jf2 h ARG 21 Ca 0.04 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1jf2 h ARG 21 Cb 0.56 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1jf2 h ARG 21 CO 0.04 0.48 -0.64 0.45 -1.51 0.00 0.00 179.97 178.79 1jf2 h HIS 22 N 0.57 0.00 -0.35 2.20 3.86 -1.28 -2.41 115.15 117.74 1jf2 h HIS 22 Ca 0.15 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.26 1jf2 h HIS 22 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1jf2 h HIS 22 CO -0.02 0.64 -0.21 -0.22 0.86 0.00 0.00 177.93 178.98 1jf2 h LYS 23 N 0.00 0.67 -0.36 2.45 1.63 -0.77 0.23 116.57 120.42 1jf2 h LYS 23 Ca -0.01 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.51 1jf2 h LYS 23 Cb 1.37 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.94 1jf2 h LYS 23 CO 0.08 0.83 0.11 1.25 -3.45 0.00 0.00 179.45 178.27 1jf2 h HIS 24 N 0.59 0.58 -0.60 1.91 2.76 -0.83 -0.86 115.15 118.70 1jf2 h HIS 24 Ca 0.09 -0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.10 1jf2 h HIS 24 Cb 0.68 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 1jf2 h HIS 24 CO 0.03 0.56 -0.01 0.52 -1.30 0.00 0.00 177.93 177.73 1jf2 h MET 25 N 0.43 1.08 0.05 5.26 2.86 -1.01 -1.59 114.93 122.01 1jf2 h MET 25 Ca 0.12 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1jf2 h MET 25 Cb 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1jf2 h MET 25 CO -0.00 1.05 -0.02 0.35 1.06 0.00 0.00 176.91 179.35 1jf2 h PHE 26 N 0.97 -0.06 -0.10 -0.22 3.57 -0.36 -1.46 116.94 119.28 1jf2 h PHE 26 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1jf2 h PHE 26 Cb 0.58 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1jf2 h PHE 26 CO 0.04 -0.02 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.66 1jf2 h ASP 27 N -0.09 0.13 0.31 0.41 3.32 -1.07 0.67 116.42 120.09 1jf2 h ASP 27 Ca -0.01 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1jf2 h ASP 27 Cb 0.07 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1jf2 h ASP 27 CO 0.01 0.16 -0.46 0.15 -1.72 0.00 0.00 179.24 177.38 1jf2 h PHE 28 N 0.14 0.22 0.00 4.55 3.57 -0.74 -2.97 116.94 121.71 1jf2 h PHE 28 Ca 0.04 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1jf2 h PHE 28 Cb 0.10 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1jf2 h PHE 28 CO 0.00 0.61 -0.85 -0.07 -2.23 0.00 0.00 178.31 175.77 1jf2 h LEU 29 N 0.15 0.00 -8.14 0.59 3.38 -0.17 -3.42 115.31 107.70 1jf2 h LEU 29 Ca 0.01 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.38 1jf2 h LEU 29 Cb 0.87 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1jf2 h LEU 29 CO 0.07 0.08 1.39 -0.62 0.09 0.00 0.00 178.44 179.44 1jf2 s ASP 30 N -5.59 6.46 0.02 -0.43 2.15 0.10 -4.90 116.67 114.48 1jf2 s ASP 30 Ca 0.01 -1.35 -0.11 0.00 0.43 0.00 0.00 52.55 51.53 1jf2 s ASP 30 Cb 0.09 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 1jf2 s ASP 30 CO 0.77 -1.52 1.16 0.40 -0.17 0.00 0.00 175.17 175.81 1jf2 h ILE 31 N 6.63 0.00 0.00 4.11 1.08 -1.82 -2.97 117.51 124.53 1jf2 h ILE 31 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1jf2 h ILE 31 Cb 1.02 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 1jf2 h ILE 31 CO 1.39 0.00 0.00 -0.46 -0.69 0.00 0.00 178.15 178.39 1jf2 n ASN 32 N -3.16 0.00 -2.91 1.72 2.04 -1.26 -4.89 115.26 106.80 1jf2 n ASN 32 Ca -0.04 -0.98 -0.22 0.00 -0.44 0.00 0.00 54.58 52.91 1jf2 n ASN 32 Cb 0.14 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.41 1jf2 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jf2 n GLY 33 N 0.60 -0.52 0.78 4.83 0.00 -1.12 -4.86 105.19 104.90 1jf2 n GLY 33 Ca 0.16 0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.33 1jf2 n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jf2 n ASN 34 N -2.37 2.21 -0.09 1.61 6.94 -1.26 -4.89 115.26 117.42 1jf2 n ASN 34 Ca -0.13 -2.13 -0.01 0.00 -0.02 0.00 0.00 54.58 52.29 1jf2 n ASN 34 Cb 0.63 -0.34 -0.00 0.00 -2.36 0.00 0.00 39.78 37.70 1jf2 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jf2 n GLY 35 N 0.80 0.50 3.21 4.83 0.00 -1.26 -5.03 105.19 108.24 1jf2 n GLY 35 Ca 0.12 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1jf2 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jf2 s LYS 36 N -1.37 0.78 0.19 1.61 -2.85 -1.26 -4.08 119.74 112.76 1jf2 s LYS 36 Ca 0.00 -0.66 0.02 0.00 -1.00 0.00 0.00 55.97 54.32 1jf2 s LYS 36 Cb 0.00 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 1jf2 s LYS 36 CO 0.00 -0.24 0.03 0.96 0.10 0.00 0.00 175.35 176.19 1jf2 s ILE 37 N -2.90 0.63 0.09 3.79 -4.36 -0.41 -4.76 121.20 113.27 1jf2 s ILE 37 Ca -0.03 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 1jf2 s ILE 37 Cb 0.00 -2.24 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 1jf2 s ILE 37 CO -0.06 -0.36 -0.09 0.42 0.24 0.00 0.00 174.94 175.10 1jf2 s THR 38 N -3.69 0.79 0.38 8.37 -4.23 -1.26 -0.29 115.64 115.70 1jf2 s THR 38 Ca 0.27 -1.63 0.10 0.00 -1.18 0.00 0.00 61.69 59.24 1jf2 s THR 38 Cb 0.06 -1.33 0.14 0.00 1.34 0.00 0.00 72.50 72.72 1jf2 s THR 38 CO 0.06 -0.63 1.89 0.25 -0.54 0.00 0.00 174.62 175.66 1jf2 h LEU 39 N 3.54 0.21 -0.09 4.79 5.85 -1.78 -2.51 115.31 125.32 1jf2 h LEU 39 Ca -0.36 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1jf2 h LEU 39 Cb 1.18 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1jf2 h LEU 39 CO 0.54 0.40 -0.11 0.44 -0.34 0.00 0.00 178.44 179.37 1jf2 h ASP 40 N 0.20 -0.34 -0.61 1.25 5.19 -1.93 0.86 116.42 121.04 1jf2 h ASP 40 Ca 0.04 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 1jf2 h ASP 40 Cb 0.43 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 1jf2 h ASP 40 CO 0.03 -0.15 0.16 -0.33 -3.12 0.00 0.00 179.24 175.83 1jf2 h GLU 41 N -0.14 1.00 -0.18 3.56 5.08 -1.92 -1.51 114.58 120.47 1jf2 h GLU 41 Ca 0.07 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1jf2 h GLU 41 Cb 0.25 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1jf2 h GLU 41 CO -0.17 0.89 -0.05 0.82 -1.00 0.00 0.00 179.01 179.50 1jf2 h ILE 42 N 0.96 1.29 -0.17 3.13 2.04 -1.03 -2.27 117.51 121.46 1jf2 h ILE 42 Ca 0.20 -1.02 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 1jf2 h ILE 42 Cb 0.33 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1jf2 h ILE 42 CO -0.00 0.30 -0.37 0.58 0.00 0.00 0.00 178.15 178.67 1jf2 h VAL 43 N 0.06 1.29 -0.59 1.67 2.07 -0.79 -2.39 116.25 117.57 1jf2 h VAL 43 Ca 0.04 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1jf2 h VAL 43 Cb 0.49 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1jf2 h VAL 43 CO 0.02 0.44 0.33 -1.28 0.02 0.00 0.00 177.57 177.10 1jf2 h SER 44 N 0.30 0.73 -0.32 0.57 0.87 -1.22 -0.49 113.55 113.99 1jf2 h SER 44 Ca 0.03 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1jf2 h SER 44 Cb 0.79 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1jf2 h SER 44 CO 0.06 0.61 0.16 0.50 -0.53 0.00 0.00 176.83 177.63 1jf2 h LYS 45 N 0.79 0.33 -0.23 2.24 3.64 -1.10 0.15 116.57 122.38 1jf2 h LYS 45 Ca 0.21 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1jf2 h LYS 45 Cb 0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1jf2 h LYS 45 CO -0.03 0.22 0.08 0.00 -2.27 0.00 0.00 179.45 177.44 1jf2 h ALA 46 N 1.16 0.30 0.06 5.00 0.00 -1.10 -0.44 119.26 124.23 1jf2 h ALA 46 Ca 0.13 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1jf2 h ALA 46 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1jf2 h ALA 46 CO -0.09 -0.09 -1.58 0.43 0.00 0.00 0.00 179.25 177.92 1jf2 n SER 47 N -4.78 1.98 0.11 0.00 7.64 -0.22 -1.39 113.62 116.95 1jf2 n SER 47 Ca -0.03 0.33 0.01 0.00 1.01 0.00 0.00 58.87 60.19 1jf2 n SER 47 Cb 0.14 -0.93 -0.01 0.00 -1.01 0.00 0.00 64.21 62.40 1jf2 n SER 47 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1jf2 h ASP 48 N -0.54 0.00 0.00 6.43 3.32 -0.89 -3.27 116.42 121.47 1jf2 h ASP 48 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1jf2 h ASP 48 Cb 1.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1jf2 h ASP 48 CO -0.08 0.59 -0.00 -0.67 -1.72 0.00 0.00 179.24 177.35 1jf2 n ASP 49 N -3.19 0.00 0.43 6.45 4.64 -1.16 -4.44 116.55 119.28 1jf2 n ASP 49 Ca -0.00 0.00 -0.19 0.00 -1.38 0.00 0.00 54.79 53.21 1jf2 n ASP 49 Cb 0.78 -0.40 -0.10 0.00 -1.04 0.00 0.00 41.12 40.37 1jf2 n ASP 49 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1jf2 h ILE 50 N -0.00 0.08 -0.57 5.18 2.04 -1.15 -2.14 117.51 120.95 1jf2 h ILE 50 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jf2 h ILE 50 Cb 0.00 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 1jf2 h ILE 50 CO 0.00 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.50 1jf2 h ALA 52 N 1.61 0.29 0.00 0.00 0.00 -1.59 -1.41 119.26 118.15 1jf2 h ALA 52 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jf2 h ALA 52 Cb -0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1jf2 h ALA 52 CO -0.04 -0.08 -0.09 0.87 0.00 0.00 0.00 179.25 179.90 1jf2 h LYS 53 N 0.18 0.00 -0.10 0.00 1.57 -1.11 -1.82 116.57 115.29 1jf2 h LYS 53 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1jf2 h LYS 53 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1jf2 h LYS 53 CO -0.00 0.09 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 1jf2 n LEU 54 N -3.25 2.03 -3.79 2.94 4.77 -0.71 -4.96 117.00 114.04 1jf2 n LEU 54 Ca 0.00 -0.75 -0.26 0.00 -0.03 0.00 0.00 56.01 54.97 1jf2 n LEU 54 Cb 0.34 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1jf2 n LEU 54 CO 0.30 0.38 0.10 -0.62 -1.33 0.00 0.00 177.39 176.21 1jf2 n GLU 55 N 0.57 -5.91 -2.21 3.23 1.02 -0.68 -4.96 120.64 111.69 1jf2 n GLU 55 Ca 0.17 0.66 -0.34 0.00 -0.02 0.00 0.00 57.16 57.63 1jf2 n GLU 55 Cb 0.42 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.33 1jf2 n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jf2 s ALA 56 N -3.39 2.69 0.81 0.62 0.00 -0.62 -5.03 121.76 116.84 1jf2 s ALA 56 Ca 0.47 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 1jf2 s ALA 56 Cb -0.23 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.63 1jf2 s ALA 56 CO 0.80 -0.79 1.11 0.95 0.00 0.00 0.00 175.76 177.83 1jf2 s THR 57 N -1.92 2.92 0.24 0.00 -4.23 -1.26 -4.74 115.64 106.65 1jf2 s THR 57 Ca 0.71 0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 61.47 1jf2 s THR 57 Cb -0.22 -3.07 0.21 0.00 1.34 0.00 0.00 72.50 70.75 1jf2 s THR 57 CO 0.29 -0.39 1.82 -0.65 -0.54 0.00 0.00 174.62 175.14 1jf2 h PRO 58 N -1.11 0.78 -0.59 3.99 0.11 -1.99 0.17 132.00 133.36 1jf2 h PRO 58 Ca -0.47 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1jf2 h PRO 58 Cb 1.28 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1jf2 h PRO 58 CO 0.60 0.52 0.01 0.93 -0.21 0.00 0.00 178.00 179.85 1jf2 h GLU 59 N 0.81 1.03 -0.28 1.05 4.39 -1.99 0.27 114.58 119.85 1jf2 h GLU 59 Ca 0.39 -0.31 -0.14 0.00 0.34 0.00 0.00 59.36 59.64 1jf2 h GLU 59 Cb 0.32 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1jf2 h GLU 59 CO -0.23 1.00 -0.38 1.96 -1.16 0.00 0.00 179.01 180.20 1jf2 h GLN 60 N 0.95 0.65 -0.55 2.33 4.20 -1.73 -0.95 115.11 120.02 1jf2 h GLN 60 Ca 0.17 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1jf2 h GLN 60 Cb 0.53 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1jf2 h GLN 60 CO 0.03 0.93 0.15 1.15 -0.67 0.00 0.00 178.83 180.41 1jf2 h THR 61 N 0.54 1.24 -0.32 -0.54 2.02 -0.34 -1.41 112.91 114.10 1jf2 h THR 61 Ca 0.05 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 1jf2 h THR 61 Cb 0.90 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1jf2 h THR 61 CO 0.08 0.31 -0.00 0.50 0.37 0.00 0.00 175.52 176.78 1jf2 h LYS 62 N 0.77 0.56 -0.60 6.66 1.63 -0.76 0.46 116.57 125.29 1jf2 h LYS 62 Ca 0.17 -0.18 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1jf2 h LYS 62 Cb 0.32 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 1jf2 h LYS 62 CO -0.00 0.70 0.37 0.00 -3.45 0.00 0.00 179.45 177.07 1jf2 h ARG 63 N 0.36 0.72 -0.73 1.90 3.08 -1.07 0.80 114.38 119.43 1jf2 h ARG 63 Ca 0.09 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 1jf2 h ARG 63 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1jf2 h ARG 63 CO 0.02 0.47 0.22 1.25 -1.07 0.00 0.00 179.97 180.86 1jf2 h HIS 64 N 0.74 1.18 -0.52 3.04 2.76 -1.08 -1.86 115.15 119.41 1jf2 h HIS 64 Ca 0.24 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1jf2 h HIS 64 Cb 0.00 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 1jf2 h HIS 64 CO -0.05 0.94 0.21 0.37 -1.30 0.00 0.00 177.93 178.10 1jf2 h GLN 65 N 1.08 0.78 -0.82 5.26 4.15 -0.13 -1.48 115.11 123.95 1jf2 h GLN 65 Ca 0.23 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1jf2 h GLN 65 Cb 0.32 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1jf2 h GLN 65 CO -0.01 0.68 0.44 0.28 -1.93 0.00 0.00 178.83 178.29 1jf2 h VAL 66 N 0.71 1.25 -0.48 2.39 2.07 -0.58 -0.48 116.25 121.13 1jf2 h VAL 66 Ca 0.18 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1jf2 h VAL 66 Cb 0.19 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1jf2 h VAL 66 CO -0.02 0.28 0.10 0.00 0.02 0.00 0.00 177.57 177.95 1jf2 h VAL 68 N 0.65 1.22 -0.73 0.00 2.07 -0.97 -1.26 116.25 117.24 1jf2 h VAL 68 Ca 0.15 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.99 1jf2 h VAL 68 Cb 0.35 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1jf2 h VAL 68 CO 0.00 0.25 0.43 -0.33 0.02 0.00 0.00 177.57 177.95 1jf2 h GLU 69 N 0.40 0.78 -0.48 1.57 5.08 -1.00 -1.43 114.58 119.50 1jf2 h GLU 69 Ca 0.11 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1jf2 h GLU 69 Cb 0.29 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1jf2 h GLU 69 CO 0.00 0.52 -0.02 0.00 -1.00 0.00 0.00 179.01 178.50 1jf2 h ALA 70 N 1.35 0.65 0.29 3.43 0.00 -1.14 0.77 119.26 124.62 1jf2 h ALA 70 Ca 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jf2 h ALA 70 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jf2 h ALA 70 CO -0.16 0.47 -0.14 0.35 0.00 0.00 0.00 179.25 179.77 1jf2 h PHE 71 N 0.71 -0.36 0.00 0.00 3.57 -0.77 -1.26 116.94 118.83 1jf2 h PHE 71 Ca 0.13 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 1jf2 h PHE 71 Cb 0.54 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1jf2 h PHE 71 CO 0.04 -0.22 -0.63 0.74 -2.23 0.00 0.00 178.31 176.01 1jf2 h PHE 72 N -0.40 0.00 0.00 0.41 -1.00 -1.28 -2.55 116.94 112.12 1jf2 h PHE 72 Ca -0.04 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 1jf2 h PHE 72 Cb 0.30 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 1jf2 h PHE 72 CO -0.06 0.63 -0.15 0.00 -1.61 0.00 0.00 178.31 177.12 1jf2 h ARG 73 N 0.00 0.00 0.00 1.51 3.08 -0.79 -0.04 114.38 118.14 1jf2 h ARG 73 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1jf2 h ARG 73 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1jf2 h ARG 73 CO 0.08 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.54 1jf2 n GLY 74 N -0.05 -1.24 1.25 0.04 0.00 -0.48 -1.27 105.19 103.45 1jf2 n GLY 74 Ca -0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1jf2 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jf2 n GLY 76 N 1.59 0.62 3.88 0.00 0.00 -0.40 -4.20 105.19 106.69 1jf2 n GLY 76 Ca 0.22 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1jf2 n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jf2 s MET 77 N -0.75 3.78 0.13 1.61 -1.94 -1.01 -5.01 119.30 116.10 1jf2 s MET 77 Ca 0.00 0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 54.08 1jf2 s MET 77 Cb 0.00 -2.61 0.03 0.00 2.01 0.00 0.00 34.83 34.27 1jf2 s MET 77 CO 0.00 0.25 0.40 -1.21 -0.01 0.00 0.00 175.02 174.45 1jf2 s GLU 78 N -3.09 1.08 0.31 2.03 0.41 -1.26 -4.17 118.70 114.01 1jf2 s GLU 78 Ca 0.47 -0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 54.03 1jf2 s GLU 78 Cb -0.11 0.47 -0.11 0.00 -1.78 0.00 0.00 34.13 32.61 1jf2 s GLU 78 CO 0.24 -0.42 1.43 0.71 -0.49 0.00 0.00 175.26 176.73 1jf2 s TYR 79 N -3.81 2.88 0.00 1.61 4.12 -1.26 -2.73 117.35 118.16 1jf2 s TYR 79 Ca 0.03 1.15 0.00 0.00 0.02 0.00 0.00 57.07 58.27 1jf2 s TYR 79 Cb 0.02 -3.86 0.00 0.00 -1.52 0.00 0.00 41.96 36.60 1jf2 s TYR 79 CO -0.12 -2.62 0.00 0.41 0.02 0.00 0.00 175.55 173.24 1jf2 n GLY 80 N 1.31 0.84 3.15 0.71 0.00 -1.26 -5.01 105.19 104.92 1jf2 n GLY 80 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1jf2 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jf2 s LYS 81 N -0.11 2.84 -0.02 1.61 1.02 -1.11 -5.11 119.74 118.87 1jf2 s LYS 81 Ca 0.00 -0.79 -0.27 0.00 0.02 0.00 0.00 55.97 54.93 1jf2 s LYS 81 Cb 0.00 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1jf2 s LYS 81 CO 0.00 -0.00 0.86 -1.21 -0.92 0.00 0.00 175.35 174.08 1jf2 s GLU 82 N 0.80 4.52 -0.11 1.68 2.02 -1.26 -4.45 118.70 121.89 1jf2 s GLU 82 Ca -0.08 1.20 -0.00 0.00 0.02 0.00 0.00 54.97 56.11 1jf2 s GLU 82 Cb -0.16 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.60 1jf2 s GLU 82 CO -0.01 0.02 -0.10 0.42 0.02 0.00 0.00 175.26 175.61 1jf2 s ILE 83 N 0.85 3.37 0.40 -1.63 -1.09 0.60 -4.90 121.20 118.80 1jf2 s ILE 83 Ca 0.46 -0.57 -0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1jf2 s ILE 83 Cb -0.20 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 1jf2 s ILE 83 CO 0.24 0.54 0.63 0.00 -1.23 0.00 0.00 174.94 175.12 1jf2 s ALA 84 N -0.03 3.64 0.12 9.38 0.00 -1.26 -1.29 121.76 132.31 1jf2 s ALA 84 Ca -0.02 -0.85 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 1jf2 s ALA 84 Cb -0.14 -2.22 -0.08 0.00 0.00 0.00 0.00 23.12 20.69 1jf2 s ALA 84 CO 0.03 -0.17 1.63 0.35 0.00 0.00 0.00 175.76 177.60 1jf2 h PHE 85 N 0.56 -0.80 -0.75 0.00 3.57 -1.99 -0.19 116.94 117.34 1jf2 h PHE 85 Ca -0.48 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.19 1jf2 h PHE 85 Cb 1.22 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 40.20 1jf2 h PHE 85 CO 0.51 -0.40 0.25 -1.35 -2.23 0.00 0.00 178.31 175.10 1jf2 h PRO 86 N -0.49 0.35 -0.25 6.41 0.11 -1.96 0.63 132.00 136.81 1jf2 h PRO 86 Ca 0.04 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.99 1jf2 h PRO 86 Cb 0.54 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1jf2 h PRO 86 CO -0.19 0.23 -0.41 0.37 -0.21 0.00 0.00 178.00 177.79 1jf2 h GLN 87 N 0.36 0.59 -0.64 1.05 4.15 -1.91 -1.47 115.11 117.25 1jf2 h GLN 87 Ca 0.42 -0.30 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 1jf2 h GLN 87 Cb 0.68 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 1jf2 h GLN 87 CO -0.45 0.90 0.14 0.35 -1.93 0.00 0.00 178.83 177.83 1jf2 h PHE 88 N 0.48 1.10 -0.43 3.99 3.57 0.91 -1.55 116.94 125.02 1jf2 h PHE 88 Ca 0.04 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.32 1jf2 h PHE 88 Cb 0.92 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1jf2 h PHE 88 CO 0.04 0.92 -0.04 1.25 -2.23 0.00 0.00 178.31 178.25 1jf2 h LEU 89 N 0.96 0.77 -1.30 0.59 5.85 0.43 0.68 115.31 123.29 1jf2 h LEU 89 Ca 0.20 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1jf2 h LEU 89 Cb 0.39 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1jf2 h LEU 89 CO 0.01 0.92 -0.13 -0.78 -0.34 0.00 0.00 178.44 178.11 1jf2 h ASP 90 N 0.61 0.30 -0.38 1.25 3.58 -1.14 -0.68 116.42 119.98 1jf2 h ASP 90 Ca 0.12 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 1jf2 h ASP 90 Cb 0.54 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1jf2 h ASP 90 CO 0.03 0.46 -0.14 1.23 -2.88 0.00 0.00 179.24 177.95 1jf2 h GLY 91 N 0.82 0.90 1.75 -0.78 0.00 -0.84 -2.45 103.07 102.46 1jf2 h GLY 91 Ca 0.06 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 1jf2 h GLY 91 CO 0.02 0.65 -0.34 -2.75 0.00 0.00 0.00 176.54 174.13 1jf2 h PHE 92 N 0.75 0.33 -0.62 5.60 3.57 0.27 -1.02 116.94 125.82 1jf2 h PHE 92 Ca 0.12 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1jf2 h PHE 92 Cb 0.64 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1jf2 h PHE 92 CO 0.04 0.60 0.15 0.87 -2.23 0.00 0.00 178.31 177.74 1jf2 h LYS 93 N 0.25 0.97 -0.38 1.11 1.57 -0.83 0.11 116.57 119.36 1jf2 h LYS 93 Ca 0.03 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1jf2 h LYS 93 Cb 0.73 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1jf2 h LYS 93 CO 0.06 0.86 -0.15 1.96 -0.57 0.00 0.00 179.45 181.61 1jf2 h GLN 94 N 0.93 0.77 -0.20 3.15 4.20 -0.95 -1.45 115.11 121.55 1jf2 h GLN 94 Ca 0.20 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1jf2 h GLN 94 Cb 0.33 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1jf2 h GLN 94 CO -0.00 0.94 0.13 1.25 -0.67 0.00 0.00 178.83 180.48 1jf2 h LEU 95 N 0.57 0.22 -0.32 1.46 5.85 -0.84 -0.63 115.31 121.63 1jf2 h LEU 95 Ca 0.09 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1jf2 h LEU 95 Cb 0.69 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1jf2 h LEU 95 CO 0.05 0.16 0.03 0.00 -0.34 0.00 0.00 178.44 178.34 1jf2 h ALA 96 N 1.07 0.30 -0.40 1.25 0.00 -0.64 0.21 119.26 121.06 1jf2 h ALA 96 Ca 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1jf2 h ALA 96 Cb -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1jf2 h ALA 96 CO -0.02 -0.38 -0.08 1.79 0.00 0.00 0.00 179.25 180.56 1jf2 h THR 97 N 0.12 1.24 -0.61 0.00 1.35 -1.10 0.09 112.91 114.01 1jf2 h THR 97 Ca 0.15 -1.06 -0.09 0.00 -0.55 0.00 0.00 66.41 64.86 1jf2 h THR 97 Cb 0.19 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 1jf2 h THR 97 CO -0.23 0.36 0.04 -1.28 -0.25 0.00 0.00 175.52 174.16 1jf2 h SER 98 N 0.64 1.00 -0.35 5.36 0.87 -0.34 -0.84 113.55 119.89 1jf2 h SER 98 Ca 0.12 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.35 1jf2 h SER 98 Cb 0.51 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1jf2 h SER 98 CO 0.03 1.03 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.95 1jf2 h GLU 99 N 0.95 0.67 0.00 2.24 4.39 -0.19 -2.03 114.58 120.61 1jf2 h GLU 99 Ca 0.18 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1jf2 h GLU 99 Cb 0.49 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1jf2 h GLU 99 CO 0.02 0.82 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.36 1jf2 h LEU 100 N 0.46 0.00 -0.26 1.33 3.38 -0.80 -0.26 115.31 119.16 1jf2 h LEU 100 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1jf2 h LEU 100 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1jf2 h LEU 100 CO 0.03 0.27 -0.24 0.50 0.09 0.00 0.00 178.44 179.09 1jf2 h LYS 101 N 0.00 0.62 -0.60 1.13 3.64 -0.91 -0.93 116.57 119.52 1jf2 h LYS 101 Ca -0.00 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1jf2 h LYS 101 Cb 0.50 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1jf2 h LYS 101 CO 0.03 0.92 0.27 0.87 -2.27 0.00 0.00 179.45 179.27 1jf2 h LYS 102 N 0.35 0.88 -0.59 1.90 1.57 -0.83 -2.20 116.57 117.64 1jf2 h LYS 102 Ca 0.04 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1jf2 h LYS 102 Cb 0.79 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1jf2 h LYS 102 CO 0.06 0.73 0.33 2.35 -0.57 0.00 0.00 179.45 182.35 1jf2 h TRP 103 N 0.82 0.62 0.00 -1.35 2.91 -0.95 0.74 115.95 118.73 1jf2 h TRP 103 Ca 0.20 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.24 1jf2 h TRP 103 Cb 0.15 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 1jf2 h TRP 103 CO 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 178.44 177.73 1jf2 h ALA 104 N 1.29 1.00 -0.26 2.65 0.00 -0.62 -1.71 119.26 121.61 1jf2 h ALA 104 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jf2 h ALA 104 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jf2 h ALA 104 CO -0.14 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.65 1jf2 n ARG 105 N -2.69 2.03 -2.74 0.00 1.74 -0.18 -4.96 116.66 109.87 1jf2 n ARG 105 Ca -0.01 -1.88 -0.19 0.00 -0.77 0.00 0.00 57.85 55.00 1jf2 n ARG 105 Cb 0.13 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.24 1jf2 n ARG 105 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1jf2 n ASN 106 N 0.94 -5.50 -4.77 0.55 4.05 -0.62 -5.00 115.26 104.91 1jf2 n ASN 106 Ca 0.13 -0.18 -0.35 0.00 0.45 0.00 0.00 54.58 54.63 1jf2 n ASN 106 Cb 0.45 -4.40 -0.08 0.00 1.23 0.00 0.00 39.78 36.98 1jf2 n ASN 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1jf2 s GLU 107 N -5.35 3.14 0.28 1.20 2.02 0.08 -5.02 118.70 115.05 1jf2 s GLU 107 Ca 0.18 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.52 1jf2 s GLU 107 Cb -0.08 -2.93 -0.11 0.00 0.10 0.00 0.00 34.13 31.11 1jf2 s GLU 107 CO 0.22 0.71 1.61 -1.25 0.02 0.00 0.00 175.26 176.58 1jf2 s PRO 108 N -1.14 4.12 0.60 0.39 0.04 -1.26 -4.02 135.00 133.72 1jf2 s PRO 108 Ca 0.16 2.58 -0.06 0.00 0.04 0.00 0.00 61.00 63.73 1jf2 s PRO 108 Cb -0.12 -3.03 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1jf2 s PRO 108 CO 0.06 -0.65 0.91 0.95 0.04 0.00 0.00 177.00 178.30 1jf2 s THR 109 N 0.18 3.58 0.28 1.26 -4.23 -1.26 -4.93 115.64 110.52 1jf2 s THR 109 Ca 0.65 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1jf2 s THR 109 Cb -0.48 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.02 1jf2 s THR 109 CO 0.45 -0.44 1.74 -0.07 -0.54 0.00 0.00 174.62 175.77 1jf2 h LEU 110 N -0.20 0.53 -0.75 4.79 3.38 -1.94 -1.13 115.31 120.00 1jf2 h LEU 110 Ca -0.45 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.22 1jf2 h LEU 110 Cb 1.26 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1jf2 h LEU 110 CO 0.61 0.73 -0.58 -0.29 0.09 0.00 0.00 178.44 179.00 1jf2 h ILE 111 N 0.49 1.39 -0.20 1.22 6.09 -1.96 -0.17 117.51 124.38 1jf2 h ILE 111 Ca 0.08 -1.94 -0.04 0.00 -1.37 0.00 0.00 64.86 61.59 1jf2 h ILE 111 Cb 0.59 1.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.87 1jf2 h ILE 111 CO 0.04 0.57 -0.05 -0.09 -3.07 0.00 0.00 178.15 175.55 1jf2 h ARG 112 N 0.12 0.38 -0.50 2.19 9.65 -1.82 -1.16 114.38 123.25 1jf2 h ARG 112 Ca -0.00 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.67 1jf2 h ARG 112 Cb 1.05 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.59 1jf2 h ARG 112 CO 0.08 0.63 0.05 0.93 2.80 0.00 0.00 179.97 184.46 1jf2 h GLU 113 N 0.10 0.80 -0.73 0.20 5.08 -1.07 0.90 114.58 119.86 1jf2 h GLU 113 Ca 0.05 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1jf2 h GLU 113 Cb 0.49 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1jf2 h GLU 113 CO 0.02 0.78 0.29 2.35 -1.00 0.00 0.00 179.01 181.45 1jf2 h TRP 114 N 0.76 1.12 -0.34 4.33 2.91 -0.95 -1.69 115.95 122.08 1jf2 h TRP 114 Ca 0.16 -0.08 0.02 0.00 1.13 0.00 0.00 58.89 60.11 1jf2 h TRP 114 Cb 0.39 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.69 1jf2 h TRP 114 CO 0.02 0.86 0.19 0.78 -1.03 0.00 0.00 178.44 179.26 1jf2 h GLY 115 N 1.05 0.47 0.54 2.65 0.00 -0.11 -1.36 103.07 106.32 1jf2 h GLY 115 Ca 0.24 -0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.53 1jf2 h GLY 115 CO -0.02 0.13 0.59 -0.55 0.00 0.00 0.00 176.54 176.69 1jf2 h ASP 116 N 0.40 0.88 -0.35 0.19 3.32 -0.29 0.17 116.42 120.74 1jf2 h ASP 116 Ca 0.14 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 1jf2 h ASP 116 Cb 0.01 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1jf2 h ASP 116 CO -0.07 0.50 -0.15 0.00 -1.72 0.00 0.00 179.24 177.80 1jf2 h ALA 117 N 1.50 0.93 -0.12 3.45 0.00 -0.54 -0.71 119.26 123.77 1jf2 h ALA 117 Ca 0.46 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1jf2 h ALA 117 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jf2 h ALA 117 CO -0.24 0.62 -0.35 0.28 0.00 0.00 0.00 179.25 179.56 1jf2 h VAL 118 N 0.72 1.38 -0.83 0.00 2.07 -0.36 -3.02 116.25 116.20 1jf2 h VAL 118 Ca 0.11 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1jf2 h VAL 118 Cb 0.65 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.51 1jf2 h VAL 118 CO 0.05 0.49 0.55 -0.26 0.02 0.00 0.00 177.57 178.42 1jf2 h PHE 119 N 0.02 1.03 -0.39 1.57 -1.00 -0.61 -2.31 116.94 115.25 1jf2 h PHE 119 Ca -0.01 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 1jf2 h PHE 119 Cb 0.97 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 1jf2 h PHE 119 CO 0.11 0.63 -0.10 0.22 -1.61 0.00 0.00 178.31 177.56 1jf2 h ASP 120 N 1.10 0.66 0.06 2.17 3.58 -1.12 -0.18 116.42 122.69 1jf2 h ASP 120 Ca 0.31 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1jf2 h ASP 120 Cb -0.08 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.79 1jf2 h ASP 120 CO -0.08 0.80 -0.08 0.40 -2.88 0.00 0.00 179.24 177.40 1jf2 h ILE 121 N 0.62 1.08 -0.02 2.25 2.04 -1.29 -1.63 117.51 120.56 1jf2 h ILE 121 Ca 0.11 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1jf2 h ILE 121 Cb 0.54 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1jf2 h ILE 121 CO 0.03 0.11 -0.22 0.49 0.00 0.00 0.00 178.15 178.56 1jf2 n PHE 122 N -4.42 0.00 -2.62 1.37 3.01 -0.75 -4.81 117.46 109.24 1jf2 n PHE 122 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.02 1jf2 n PHE 122 Cb 0.17 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1jf2 n PHE 122 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jf2 s ASP 123 N -2.29 6.42 0.00 4.37 2.15 -0.15 -4.81 116.67 122.36 1jf2 s ASP 123 Ca 0.26 -1.27 0.00 0.00 0.43 0.00 0.00 52.55 51.97 1jf2 s ASP 123 Cb 0.19 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1jf2 s ASP 123 CO 0.45 -1.53 0.00 1.17 -0.17 0.00 0.00 175.17 175.09 1jf2 n LYS 124 N 8.66 0.00 0.00 4.34 3.00 -1.26 -4.55 118.16 128.35 1jf2 n LYS 124 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1jf2 n LYS 124 Cb 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 35.03 35.32 1jf2 n LYS 124 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1jf2 n ASP 125 N -1.92 0.65 -0.48 3.14 5.68 -1.26 -4.73 116.55 117.62 1jf2 n ASP 125 Ca 0.00 -1.34 -0.06 0.00 -0.50 0.00 0.00 54.79 52.88 1jf2 n ASP 125 Cb 0.00 -0.32 -0.03 0.00 -1.14 0.00 0.00 41.12 39.63 1jf2 n ASP 125 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jf2 n GLY 126 N 0.16 0.81 0.43 6.12 0.00 -1.26 -4.87 105.19 106.59 1jf2 n GLY 126 Ca 0.00 -0.34 0.24 0.00 0.00 0.00 0.00 46.02 45.92 1jf2 n GLY 126 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jf2 h SER 127 N 0.00 0.20 -0.30 1.61 0.02 -1.92 -3.44 113.55 109.72 1jf2 h SER 127 Ca -0.13 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 1jf2 h SER 127 Cb 0.60 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1jf2 h SER 127 CO 0.19 0.07 -0.12 0.61 -1.14 0.00 0.00 176.83 176.45 1jf2 n GLY 128 N -1.61 0.79 1.68 -3.77 0.00 -1.26 -4.95 105.19 96.07 1jf2 n GLY 128 Ca 0.19 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1jf2 n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jf2 n THR 129 N -2.56 0.00 -4.93 2.61 -2.24 -1.26 -4.71 114.28 101.19 1jf2 n THR 129 Ca -0.06 -1.24 -0.28 0.00 -2.27 0.00 0.00 64.05 60.19 1jf2 n THR 129 Cb 0.33 0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 69.03 1jf2 n THR 129 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1jf2 s ILE 130 N -2.70 1.62 0.64 2.28 1.01 -0.32 -4.69 121.20 119.04 1jf2 s ILE 130 Ca 0.20 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 1jf2 s ILE 130 Cb 0.01 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 41.10 1jf2 s ILE 130 CO 0.14 0.46 0.94 0.42 0.00 0.00 0.00 174.94 176.91 1jf2 s THR 131 N 0.39 2.91 0.21 2.92 -4.23 -1.26 -1.08 115.64 115.49 1jf2 s THR 131 Ca -0.14 -0.19 -0.10 0.00 -1.18 0.00 0.00 61.69 60.08 1jf2 s THR 131 Cb -0.16 -3.20 0.15 0.00 1.34 0.00 0.00 72.50 70.63 1jf2 s THR 131 CO 0.06 -0.20 1.87 0.25 -0.54 0.00 0.00 174.62 176.05 1jf2 h LEU 132 N -0.36 0.81 -0.91 4.79 5.85 -1.98 -1.07 115.31 122.44 1jf2 h LEU 132 Ca -0.45 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 1jf2 h LEU 132 Cb 1.29 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 1jf2 h LEU 132 CO 0.60 0.58 0.14 0.44 -0.34 0.00 0.00 178.44 179.86 1jf2 h ASP 133 N 0.95 0.89 -0.49 1.25 3.32 -1.98 0.44 116.42 120.80 1jf2 h ASP 133 Ca 0.27 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1jf2 h ASP 133 Cb -0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 1jf2 h ASP 133 CO -0.07 0.86 0.01 -0.33 -1.72 0.00 0.00 179.24 177.99 1jf2 h GLU 134 N 0.91 0.86 -0.25 3.56 5.08 -1.82 -1.45 114.58 121.46 1jf2 h GLU 134 Ca 0.19 -0.27 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 1jf2 h GLU 134 Cb 0.33 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1jf2 h GLU 134 CO 0.00 0.90 -0.28 2.35 -1.00 0.00 0.00 179.01 180.98 1jf2 h TRP 135 N 0.72 0.57 -0.88 4.33 2.91 -0.92 -1.10 115.95 121.58 1jf2 h TRP 135 Ca 0.14 -0.13 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 1jf2 h TRP 135 Cb 0.50 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.98 1jf2 h TRP 135 CO 0.04 0.73 0.51 0.87 -1.03 0.00 0.00 178.44 179.56 1jf2 h LYS 136 N 0.44 1.22 -0.31 2.65 1.57 -0.56 0.81 116.57 122.39 1jf2 h LYS 136 Ca 0.06 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1jf2 h LYS 136 Cb 0.71 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1jf2 h LYS 136 CO 0.05 0.87 0.07 0.00 -0.57 0.00 0.00 179.45 179.87 1jf2 h ALA 137 N 1.33 0.41 -0.50 3.86 0.00 -0.75 -2.37 119.26 121.23 1jf2 h ALA 137 Ca 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jf2 h ALA 137 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jf2 h ALA 137 CO -0.05 0.08 0.32 -0.92 0.00 0.00 0.00 179.25 178.68 1jf2 h TYR 138 N 0.33 0.64 -0.94 0.00 3.20 -0.52 0.47 116.97 120.16 1jf2 h TYR 138 Ca 0.10 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1jf2 h TYR 138 Cb 0.31 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 1jf2 h TYR 138 CO 0.02 0.42 0.60 0.78 -1.64 0.00 0.00 178.16 178.33 1jf2 h GLY 139 N 0.67 1.41 0.44 1.82 0.00 -0.73 0.16 103.07 106.85 1jf2 h GLY 139 Ca 0.18 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1jf2 h GLY 139 CO -0.04 0.33 -0.07 1.70 0.00 0.00 0.00 176.54 178.46 1jf2 h LYS 140 N 1.11 0.08 -0.45 4.80 3.64 -1.02 -1.57 116.57 123.16 1jf2 h LYS 140 Ca 0.40 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1jf2 h LYS 140 Cb 0.13 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1jf2 h LYS 140 CO -0.16 0.70 -0.23 0.82 -2.27 0.00 0.00 179.45 178.31 1jf2 h ILE 141 N -0.51 1.27 0.00 2.00 2.04 -0.79 -2.86 117.51 118.66 1jf2 h ILE 141 Ca -0.00 -1.38 -0.13 0.00 1.00 0.00 0.00 64.86 64.35 1jf2 h ILE 141 Cb 0.71 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1jf2 h ILE 141 CO 0.01 0.47 -0.61 0.77 0.00 0.00 0.00 178.15 178.80 1jf2 h SER 142 N 0.81 0.00 0.00 1.72 4.64 -1.08 -3.44 113.55 116.20 1jf2 h SER 142 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1jf2 h SER 142 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1jf2 h SER 142 CO 0.07 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1jf2 n GLY 143 N 0.94 1.17 0.18 -0.77 0.00 -0.63 -4.92 105.19 101.16 1jf2 n GLY 143 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1jf2 n GLY 143 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jf2 h ILE 144 N 0.00 1.36 -0.96 -0.61 2.10 -1.81 -3.39 117.51 114.20 1jf2 h ILE 144 Ca 0.00 -1.79 -0.35 0.00 1.08 0.00 0.00 64.86 63.80 1jf2 h ILE 144 Cb 0.00 1.87 -0.24 0.00 -1.09 0.00 0.00 36.82 37.36 1jf2 h ILE 144 CO 0.00 0.53 -0.72 -0.24 -1.08 0.00 0.00 178.15 176.64 1jf2 n SER 145 N -3.93 -1.83 0.19 2.19 2.88 -0.97 -4.61 113.62 107.54 1jf2 n SER 145 Ca -0.02 -2.98 0.03 0.00 -1.33 0.00 0.00 58.87 54.57 1jf2 n SER 145 Cb 0.56 0.86 0.41 0.00 -0.75 0.00 0.00 64.21 65.29 1jf2 n SER 145 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1jf2 h PRO 146 N 4.29 0.03 -6.46 -1.46 0.13 -1.71 -3.30 132.00 123.53 1jf2 h PRO 146 Ca -0.02 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.57 1jf2 h PRO 146 Cb 0.98 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.13 1jf2 h PRO 146 CO 0.33 0.31 0.94 0.45 -0.23 0.00 0.00 178.00 179.79 1jf2 s SER 147 N -6.96 6.66 0.33 1.44 0.15 -1.26 -4.54 113.70 109.52 1jf2 s SER 147 Ca -0.04 2.42 0.01 0.00 0.70 0.00 0.00 55.95 59.05 1jf2 s SER 147 Cb 0.15 -2.57 0.57 0.00 -1.71 0.00 0.00 66.02 62.47 1jf2 s SER 147 CO 0.72 -0.83 1.97 1.56 1.20 0.00 0.00 173.24 177.85 1jf2 h GLN 148 N 7.98 0.93 -0.64 5.44 4.20 -1.94 -1.93 115.11 129.14 1jf2 h GLN 148 Ca -0.42 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.22 1jf2 h GLN 148 Cb 1.20 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 1jf2 h GLN 148 CO 0.92 0.61 0.32 1.49 -0.67 0.00 0.00 178.83 181.50 1jf2 h GLU 149 N 0.96 0.92 -0.15 1.46 4.81 -1.97 -0.26 114.58 120.35 1jf2 h GLU 149 Ca 0.30 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 1jf2 h GLU 149 Cb 0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1jf2 h GLU 149 CO -0.08 0.73 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.14 1jf2 h ASP 150 N 0.89 0.31 0.25 1.04 3.32 -1.71 -0.17 116.42 120.35 1jf2 h ASP 150 Ca 0.22 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 1jf2 h ASP 150 Cb 0.10 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1jf2 h ASP 150 CO -0.03 0.64 -0.57 0.00 -1.72 0.00 0.00 179.24 177.56 1jf2 h GLU 152 N 0.25 0.25 -0.61 0.00 5.08 -0.67 -2.68 114.58 116.20 1jf2 h GLU 152 Ca -0.00 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1jf2 h GLU 152 Cb 1.08 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1jf2 h GLU 152 CO 0.09 0.77 0.11 0.00 -1.00 0.00 0.00 179.01 178.98 1jf2 h ALA 153 N 1.19 1.03 -0.36 3.43 0.00 -0.62 -0.67 119.26 123.25 1jf2 h ALA 153 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1jf2 h ALA 153 Cb 1.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1jf2 h ALA 153 CO 0.09 0.62 0.23 1.15 0.00 0.00 0.00 179.25 181.34 1jf2 h THR 154 N 0.93 1.07 -0.10 0.00 2.02 -0.94 0.79 112.91 116.69 1jf2 h THR 154 Ca 0.19 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 1jf2 h THR 154 Cb 0.40 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1jf2 h THR 154 CO 0.01 0.09 -0.41 -0.26 0.37 0.00 0.00 175.52 175.32 1jf2 h PHE 155 N 0.47 0.24 -0.09 3.16 -1.00 -1.15 -1.22 116.94 117.35 1jf2 h PHE 155 Ca 0.14 -0.06 -0.14 0.00 2.81 0.00 0.00 57.97 60.72 1jf2 h PHE 155 Cb -0.03 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1jf2 h PHE 155 CO -0.06 0.59 -0.55 0.00 -1.61 0.00 0.00 178.31 176.68 1jf2 h ARG 156 N 0.18 0.25 -0.24 1.51 3.08 -0.71 -3.19 114.38 115.27 1jf2 h ARG 156 Ca 0.02 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1jf2 h ARG 156 Cb 0.80 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1jf2 h ARG 156 CO 0.06 0.74 -0.13 1.25 -1.07 0.00 0.00 179.97 180.82 1jf2 h HIS 157 N 0.20 0.59 -4.41 3.04 2.76 -0.40 -3.46 115.15 113.47 1jf2 h HIS 157 Ca 0.00 -0.15 -0.50 0.00 -2.20 0.00 0.00 60.37 57.52 1jf2 h HIS 157 Cb 1.03 -0.13 0.08 0.00 1.55 0.00 0.00 27.41 29.93 1jf2 h HIS 157 CO 0.02 0.79 0.41 0.00 -1.30 0.00 0.00 177.93 177.84 1jf2 s ASP 159 N -4.21 6.47 0.38 0.00 1.01 -1.26 -4.93 116.67 114.12 1jf2 s ASP 159 Ca 0.57 0.21 0.07 0.00 0.71 0.00 0.00 52.55 54.11 1jf2 s ASP 159 Cb -0.12 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 1jf2 s ASP 159 CO 0.53 -0.65 0.49 -0.76 0.21 0.00 0.00 175.17 174.99 1jf2 s LEU 160 N 2.86 3.75 0.00 1.23 1.43 -1.26 -4.78 118.68 121.90 1jf2 s LEU 160 Ca 0.27 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 1jf2 s LEU 160 Cb -0.14 -2.60 0.21 0.00 0.03 0.00 0.00 46.19 43.69 1jf2 s LEU 160 CO 0.16 -0.59 1.26 -0.90 0.23 0.00 0.00 176.35 176.51 1jf2 n ASP 161 N -1.70 0.24 0.32 2.29 5.68 -0.61 -4.88 116.55 117.89 1jf2 n ASP 161 Ca 0.04 -1.54 0.21 0.00 -0.50 0.00 0.00 54.79 52.99 1jf2 n ASP 161 Cb 0.59 -0.95 1.02 0.00 -1.14 0.00 0.00 41.12 40.65 1jf2 n ASP 161 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 1jf2 h ASN 162 N -1.57 0.00 0.31 -1.12 -1.24 -2.00 -0.97 115.58 108.99 1jf2 h ASN 162 Ca -0.41 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.60 1jf2 h ASN 162 Cb 1.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.20 1jf2 h ASN 162 CO 0.30 0.00 -0.17 -1.20 -1.29 0.00 0.00 177.43 175.07 1jf2 n SER 163 N -3.10 0.70 0.00 1.15 7.64 -1.26 -4.92 113.62 113.84 1jf2 n SER 163 Ca -0.02 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1jf2 n SER 163 Cb 0.16 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1jf2 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jf2 n GLY 164 N 1.31 0.56 3.89 0.23 0.00 -0.37 -5.06 105.19 105.74 1jf2 n GLY 164 Ca 0.13 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1jf2 n GLY 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jf2 s ASP 165 N -2.74 5.82 -0.09 1.61 1.01 -1.26 -4.52 116.67 116.50 1jf2 s ASP 165 Ca 0.00 -0.14 -0.05 0.00 0.71 0.00 0.00 52.55 53.07 1jf2 s ASP 165 Cb 0.00 -1.55 -0.04 0.00 1.01 0.00 0.00 42.92 42.35 1jf2 s ASP 165 CO 0.00 -0.08 0.09 -0.22 0.21 0.00 0.00 175.17 175.17 1jf2 s LEU 166 N -3.91 4.09 0.18 1.23 2.96 -0.24 -1.57 118.68 121.41 1jf2 s LEU 166 Ca 0.34 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.66 1jf2 s LEU 166 Cb -0.08 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1jf2 s LEU 166 CO 0.27 0.38 0.01 1.51 -1.32 0.00 0.00 176.35 177.20 1jf2 s ASP 167 N -1.09 4.81 0.53 3.68 1.47 -1.26 -1.18 116.67 123.62 1jf2 s ASP 167 Ca 0.16 -0.39 0.20 0.00 1.18 0.00 0.00 52.55 53.70 1jf2 s ASP 167 Cb -0.12 -1.03 1.39 0.00 -0.34 0.00 0.00 42.92 42.81 1jf2 s ASP 167 CO 0.05 0.08 2.14 1.62 0.68 0.00 0.00 175.17 179.75 1jf2 h VAL 168 N 2.41 0.86 -0.29 2.11 3.04 -1.97 -2.11 116.25 120.31 1jf2 h VAL 168 Ca -0.47 -0.16 -0.17 0.00 -1.01 0.00 0.00 66.70 64.89 1jf2 h VAL 168 Cb 1.20 1.09 -0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1jf2 h VAL 168 CO 0.58 0.04 -0.49 0.44 -1.01 0.00 0.00 177.57 177.14 1jf2 h ASP 169 N 0.00 0.94 -0.28 3.17 3.32 -1.98 -0.31 116.42 121.28 1jf2 h ASP 169 Ca -0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.49 1jf2 h ASP 169 Cb 0.09 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1jf2 h ASP 169 CO 0.01 1.28 0.02 -0.08 -1.72 0.00 0.00 179.24 178.75 1jf2 h GLU 170 N 0.63 0.48 -0.53 3.56 4.57 -1.82 -0.91 114.58 120.55 1jf2 h GLU 170 Ca 0.02 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 1jf2 h GLU 170 Cb 1.10 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1jf2 h GLU 170 CO 0.11 0.61 0.01 1.98 -1.18 0.00 0.00 179.01 180.54 1jf2 h MET 171 N 0.28 0.90 -0.30 1.92 4.05 -1.38 -0.74 114.93 119.66 1jf2 h MET 171 Ca 0.08 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1jf2 h MET 171 Cb 0.38 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 1jf2 h MET 171 CO 0.01 0.89 0.13 1.15 0.23 0.00 0.00 176.91 179.32 1jf2 h THR 172 N 0.83 1.16 -0.65 -0.77 2.02 -0.91 0.84 112.91 115.45 1jf2 h THR 172 Ca 0.16 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1jf2 h THR 172 Cb 0.49 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1jf2 h THR 172 CO 0.02 0.17 0.38 -0.09 0.37 0.00 0.00 175.52 176.37 1jf2 h ARG 173 N 0.34 0.69 -0.27 6.66 2.43 -0.93 0.68 114.38 123.97 1jf2 h ARG 173 Ca 0.10 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1jf2 h ARG 173 Cb 0.15 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1jf2 h ARG 173 CO -0.01 0.46 -0.12 1.96 -1.51 0.00 0.00 179.97 180.75 1jf2 h GLN 174 N 0.71 0.56 -0.38 0.20 1.08 -0.87 -3.06 115.11 113.35 1jf2 h GLN 174 Ca 0.28 -0.24 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1jf2 h GLN 174 Cb 0.11 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1jf2 h GLN 174 CO -0.15 0.80 -0.04 0.45 -0.95 0.00 0.00 178.83 178.94 1jf2 h HIS 175 N 0.30 0.66 -0.52 2.96 3.86 -0.44 0.19 115.15 122.15 1jf2 h HIS 175 Ca 0.06 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1jf2 h HIS 175 Cb 0.62 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1jf2 h HIS 175 CO 0.06 0.66 0.34 1.25 0.86 0.00 0.00 177.93 181.09 1jf2 h LEU 176 N 0.58 0.61 -0.38 2.43 5.85 -0.86 0.13 115.31 123.67 1jf2 h LEU 176 Ca 0.11 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 1jf2 h LEU 176 Cb 0.44 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1jf2 h LEU 176 CO 0.02 0.46 -0.79 1.23 -0.34 0.00 0.00 178.44 179.02 1jf2 h GLY 177 N 0.71 0.30 0.44 3.75 0.00 -1.36 -1.06 103.07 105.85 1jf2 h GLY 177 Ca 0.19 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1jf2 h GLY 177 CO -0.04 0.41 -0.10 -2.75 0.00 0.00 0.00 176.54 174.06 1jf2 h PHE 178 N 0.17 0.14 0.11 5.60 3.57 -0.32 0.21 116.94 126.43 1jf2 h PHE 178 Ca -0.04 -0.06 -0.31 0.00 3.53 0.00 0.00 57.97 61.09 1jf2 h PHE 178 Cb 1.38 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1jf2 h PHE 178 CO 0.03 0.76 -1.54 -1.49 -2.23 0.00 0.00 178.31 173.84 1jf2 h TRP 179 N -0.51 0.44 0.01 0.41 -0.00 -0.86 -3.40 115.95 112.04 1jf2 h TRP 179 Ca -0.01 -0.32 -0.40 0.00 -0.00 0.00 0.00 58.89 58.16 1jf2 h TRP 179 Cb 0.77 -0.02 -0.06 0.00 -0.00 0.00 0.00 29.16 29.85 1jf2 h TRP 179 CO 0.15 1.38 -2.34 0.66 -0.00 0.00 0.00 178.44 178.29 1jf2 n TYR 180 N -3.44 0.24 0.16 0.49 0.53 -0.42 -4.80 117.16 109.92 1jf2 n TYR 180 Ca -0.17 0.07 0.03 0.00 -1.02 0.00 0.00 57.90 56.81 1jf2 n TYR 180 Cb 1.04 -1.03 0.03 0.00 -1.03 0.00 0.00 39.34 38.36 1jf2 n TYR 180 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1jf2 n THR 181 N -3.75 0.19 -3.65 -0.72 -2.24 -1.12 -4.56 114.28 98.42 1jf2 n THR 181 Ca -0.46 -0.59 -0.22 0.00 -2.27 0.00 0.00 64.05 60.50 1jf2 n THR 181 Cb 0.93 0.99 0.05 0.00 -2.10 0.00 0.00 70.33 70.21 1jf2 n THR 181 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1jf2 n LEU 182 N 0.24 -3.30 -4.69 3.22 7.94 -0.07 -4.39 117.00 115.95 1jf2 n LEU 182 Ca 0.04 -0.74 -0.42 0.00 -1.11 0.00 0.00 56.01 53.78 1jf2 n LEU 182 Cb 0.17 -2.80 -0.03 0.00 0.53 0.00 0.00 43.42 41.29 1jf2 n LEU 182 CO 0.03 0.43 1.28 -0.62 -1.11 0.00 0.00 177.39 177.41 1jf2 s ASP 183 N -4.12 6.66 0.43 1.96 3.68 -0.41 -4.89 116.67 119.99 1jf2 s ASP 183 Ca 0.15 2.39 0.16 0.00 2.13 0.00 0.00 52.55 57.37 1jf2 s ASP 183 Cb -0.07 -2.56 1.06 0.00 -1.45 0.00 0.00 42.92 39.89 1jf2 s ASP 183 CO 0.79 -0.85 1.92 -0.65 0.13 0.00 0.00 175.17 176.51 1jf2 h PRO 184 N 8.27 0.40 0.00 4.34 0.11 -1.90 0.17 132.00 143.38 1jf2 h PRO 184 Ca -0.41 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1jf2 h PRO 184 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1jf2 h PRO 184 CO 0.92 0.26 -0.18 1.49 -0.21 0.00 0.00 178.00 180.28 1jf2 h GLU 185 N 0.41 0.00 0.00 1.05 4.57 -1.97 -2.78 114.58 115.86 1jf2 h GLU 185 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1jf2 h GLU 185 Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1jf2 h GLU 185 CO -0.11 0.18 -0.72 0.00 -1.18 0.00 0.00 179.01 177.18 1jf2 h ALA 186 N 1.82 0.63 -2.51 2.92 0.00 -0.98 -3.47 119.26 117.66 1jf2 h ALA 186 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1jf2 h ALA 186 Cb 0.49 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.37 1jf2 h ALA 186 CO 0.02 0.00 0.66 -0.25 0.00 0.00 0.00 179.25 179.68 1jf2 n ASP 187 N -2.71 3.06 0.00 0.00 8.00 -1.04 -1.46 116.55 122.41 1jf2 n ASP 187 Ca 0.01 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.68 1jf2 n ASP 187 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1jf2 n ASP 187 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jf2 n GLY 188 N 1.73 0.79 0.38 0.44 0.00 -1.26 -4.96 105.19 102.32 1jf2 n GLY 188 Ca 0.09 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.30 1jf2 n GLY 188 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jf2 h LEU 189 N 0.00 0.56 -3.36 0.99 5.85 -1.60 -1.54 115.31 116.21 1jf2 h LEU 189 Ca 0.00 0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1jf2 h LEU 189 Cb 0.00 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1jf2 h LEU 189 CO 0.00 0.15 0.02 -1.22 -0.34 0.00 0.00 178.44 177.05 1jf2 n TYR 190 N -4.67 1.20 -1.77 1.25 4.02 -1.26 -4.03 117.16 111.89 1jf2 n TYR 190 Ca 0.24 -1.20 0.00 0.00 -0.01 0.00 0.00 57.90 56.93 1jf2 n TYR 190 Cb 0.75 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1jf2 n TYR 190 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jf2 n GLY 191 N -0.73 3.22 0.70 2.72 0.00 -0.58 -0.52 105.19 110.00 1jf2 n GLY 191 Ca 0.29 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1jf2 n GLY 191 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jf2 n ASN 192 N 2.98 2.08 -0.22 1.61 3.02 -1.26 -4.30 115.26 119.17 1jf2 n ASN 192 Ca 0.00 -1.79 -0.08 0.00 -0.03 0.00 0.00 54.58 52.67 1jf2 n ASN 192 Cb 0.00 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1jf2 n ASN 192 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1jf2 h GLY 193 N 4.92 1.13 -6.66 7.41 0.00 -1.12 -3.43 103.07 105.33 1jf2 h GLY 193 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 47.33 46.26 1jf2 h GLY 193 CO 0.00 0.71 -0.71 0.14 0.00 0.00 0.00 176.54 176.67 1jf2 s VAL 194 N -5.19 -0.08 -2.00 4.60 1.01 -1.25 -4.89 120.40 112.61 1jf2 s VAL 194 Ca -0.12 0.26 0.13 0.00 0.00 0.00 0.00 61.98 62.25 1jf2 s VAL 194 Cb 0.14 -0.12 0.37 0.00 0.00 0.00 0.00 36.38 36.76 1jf2 s VAL 194 CO 0.84 0.11 1.19 -0.81 0.00 0.00 0.00 175.10 176.44