#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgs n PHE 8 N 0.00 0.69 -0.25 1.96 3.01 -1.26 -3.44 117.46 118.16 1jgs n PHE 8 Ca 0.00 -0.32 0.03 0.00 1.01 0.00 0.00 57.45 58.16 1jgs n PHE 8 Cb 0.00 -0.04 0.05 0.00 -0.01 0.00 0.00 39.48 39.48 1jgs n PHE 8 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1jgs n ASN 9 N 0.79 2.19 -4.10 4.37 5.03 -1.26 -5.00 115.26 117.29 1jgs n ASN 9 Ca 0.16 -2.24 -0.23 0.00 0.87 0.00 0.00 54.58 53.13 1jgs n ASN 9 Cb 0.44 -0.12 -0.15 0.00 -1.02 0.00 0.00 39.78 38.92 1jgs n ASN 9 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1jgs s GLU 10 N -1.42 1.30 -0.96 3.52 2.56 -1.22 -5.08 118.70 117.39 1jgs s GLU 10 Ca 0.09 -0.50 -0.18 0.00 0.00 0.00 0.00 54.97 54.38 1jgs s GLU 10 Cb 0.07 -1.20 0.14 0.00 2.00 0.00 0.00 34.13 35.14 1jgs s GLU 10 CO 0.02 0.26 1.15 0.42 -0.56 0.00 0.00 175.26 176.55 1jgs s ILE 11 N -0.13 4.79 -0.18 -3.70 1.01 -1.26 -4.97 121.20 116.76 1jgs s ILE 11 Ca 0.01 -1.73 -0.18 0.00 0.00 0.00 0.00 60.65 58.75 1jgs s ILE 11 Cb -0.08 -4.79 -0.04 0.00 0.01 0.00 0.00 42.46 37.57 1jgs s ILE 11 CO 0.00 -1.51 0.48 -0.63 0.00 0.00 0.00 174.94 173.29 1jgs s ILE 12 N 2.48 5.14 0.46 2.92 1.01 -1.26 -5.05 121.20 126.90 1jgs s ILE 12 Ca 0.34 0.90 -0.24 0.00 0.00 0.00 0.00 60.65 61.65 1jgs s ILE 12 Cb -0.05 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 1jgs s ILE 12 CO -0.08 0.23 1.29 -2.16 0.00 0.00 0.00 174.94 174.21 1jgs s PRO 13 N 1.34 3.70 0.22 2.79 0.04 -1.26 -4.82 135.00 137.01 1jgs s PRO 13 Ca 0.23 2.10 -0.19 0.00 0.04 0.00 0.00 61.00 63.18 1jgs s PRO 13 Cb -0.15 -2.54 0.20 0.00 0.04 0.00 0.00 34.50 32.04 1jgs s PRO 13 CO 0.09 -0.70 1.55 1.25 0.04 0.00 0.00 177.00 179.24 1jgs h LEU 14 N 2.21 -1.48 -0.76 -3.56 5.85 -1.99 -1.64 115.31 113.94 1jgs h LEU 14 Ca -0.50 0.30 0.13 0.00 0.84 0.00 0.00 57.88 58.66 1jgs h LEU 14 Cb 1.26 0.76 -0.14 0.00 0.37 0.00 0.00 40.66 42.91 1jgs h LEU 14 CO 0.61 -0.29 -0.31 1.23 -0.34 0.00 0.00 178.44 179.34 1jgs h GLY 15 N -0.02 0.15 1.32 3.75 0.00 -1.99 0.28 103.07 106.56 1jgs h GLY 15 Ca 0.32 0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.96 1jgs h GLY 15 CO -0.95 -0.24 -0.08 3.21 0.00 0.00 0.00 176.54 178.48 1jgs h ARG 16 N -0.07 0.81 -0.42 4.80 3.08 -1.69 -1.66 114.38 119.23 1jgs h ARG 16 Ca 0.31 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1jgs h ARG 16 Cb 0.57 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1jgs h ARG 16 CO -0.80 0.86 0.16 -0.07 -1.07 0.00 0.00 179.97 179.05 1jgs h LEU 17 N 0.73 0.58 -1.12 3.04 3.38 -0.42 0.25 115.31 121.75 1jgs h LEU 17 Ca 0.13 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1jgs h LEU 17 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1jgs h LEU 17 CO 0.03 0.61 0.60 0.40 0.09 0.00 0.00 178.44 180.17 1jgs h ILE 18 N 0.53 1.20 0.34 1.22 2.04 -0.40 -0.46 117.51 121.97 1jgs h ILE 18 Ca 0.14 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1jgs h ILE 18 Cb 0.21 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1jgs h ILE 18 CO -0.01 0.22 -0.16 -0.74 0.00 0.00 0.00 178.15 177.46 1jgs h HIS 19 N 1.19 -0.42 -1.01 1.37 2.76 -0.53 -0.80 115.15 117.71 1jgs h HIS 19 Ca 0.34 -0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.83 1jgs h HIS 19 Cb -0.07 0.14 -0.15 0.00 1.55 0.00 0.00 27.41 28.88 1jgs h HIS 19 CO -0.00 -0.26 0.58 0.52 -1.30 0.00 0.00 177.93 177.46 1jgs h MET 20 N -0.48 0.32 -0.15 5.26 2.86 -0.40 0.28 114.93 122.62 1jgs h MET 20 Ca -0.05 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.39 1jgs h MET 20 Cb 0.35 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1jgs h MET 20 CO 0.08 0.21 -0.67 0.28 1.06 0.00 0.00 176.91 177.87 1jgs h VAL 21 N 0.33 1.32 -0.47 -2.22 2.07 -0.98 -1.29 116.25 115.01 1jgs h VAL 21 Ca 0.73 -1.95 -0.12 0.00 0.82 0.00 0.00 66.70 66.18 1jgs h VAL 21 Cb 1.68 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1jgs h VAL 21 CO -0.60 0.60 -0.18 -1.13 0.02 0.00 0.00 177.57 176.29 1jgs h ASN 22 N 0.43 0.97 0.07 0.57 -1.24 0.72 -0.28 115.58 116.81 1jgs h ASN 22 Ca -0.02 -0.39 0.01 0.00 0.71 0.00 0.00 56.30 56.61 1jgs h ASN 22 Cb 1.25 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 40.00 1jgs h ASN 22 CO 0.13 1.13 -0.31 -0.61 -1.29 0.00 0.00 177.43 176.48 1jgs h GLN 23 N 0.79 -0.43 -0.67 6.67 5.75 -0.44 -0.42 115.11 126.36 1jgs h GLN 23 Ca 0.11 0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.77 1jgs h GLN 23 Cb 0.75 0.10 -0.13 0.00 1.07 0.00 0.00 27.48 29.26 1jgs h GLN 23 CO 0.06 -0.29 -0.21 -0.22 -2.65 0.00 0.00 178.83 175.52 1jgs h LYS 24 N -0.45 -0.04 -0.96 1.69 3.64 -1.08 0.93 116.57 120.30 1jgs h LYS 24 Ca -0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 1jgs h LYS 24 Cb 0.45 0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.18 1jgs h LYS 24 CO -0.17 -0.03 0.56 -0.22 -2.27 0.00 0.00 179.45 177.33 1jgs h LYS 25 N -0.04 0.73 -0.13 1.90 3.11 -0.25 -0.60 116.57 121.28 1jgs h LYS 25 Ca 0.31 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.89 1jgs h LYS 25 Cb 0.52 -0.16 0.01 0.00 -1.00 0.00 0.00 32.23 31.60 1jgs h LYS 25 CO -0.71 0.48 -0.78 -0.44 -2.81 0.00 0.00 179.45 175.19 1jgs h ASP 26 N 0.75 0.85 -0.95 4.20 3.32 0.78 -2.31 116.42 123.07 1jgs h ASP 26 Ca 0.54 -0.56 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1jgs h ASP 26 Cb 0.78 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1jgs h ASP 26 CO -0.36 1.35 0.62 -0.09 -1.72 0.00 0.00 179.24 179.04 1jgs h ARG 27 N 0.48 1.11 -0.42 3.56 2.43 -0.00 0.89 114.38 122.43 1jgs h ARG 27 Ca -0.05 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1jgs h ARG 27 Cb 1.40 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1jgs h ARG 27 CO 0.16 0.73 -0.20 -0.07 -1.51 0.00 0.00 179.97 179.08 1jgs h LEU 28 N 1.14 0.91 0.27 3.80 3.38 -1.10 -2.10 115.31 121.61 1jgs h LEU 28 Ca 0.39 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jgs h LEU 28 Cb 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1jgs h LEU 28 CO -0.14 1.11 -0.32 0.25 0.09 0.00 0.00 178.44 179.43 1jgs h LEU 29 N 0.70 -0.89 -0.78 1.67 5.85 -0.54 0.91 115.31 122.23 1jgs h LEU 29 Ca 0.09 0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1jgs h LEU 29 Cb 0.77 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 1jgs h LEU 29 CO 0.06 -0.44 0.38 0.78 -0.34 0.00 0.00 178.44 178.87 1jgs h ASN 30 N -0.64 0.44 -0.35 1.25 4.21 -0.86 -0.92 115.58 118.72 1jgs h ASN 30 Ca -0.00 0.09 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1jgs h ASN 30 Cb 0.60 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 1jgs h ASN 30 CO -0.10 0.21 0.14 -0.33 -1.29 0.00 0.00 177.43 176.06 1jgs h GLU 31 N 0.57 0.58 0.00 0.81 5.08 -0.58 -0.79 114.58 120.26 1jgs h GLU 31 Ca 0.41 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.55 1jgs h GLU 31 Cb 0.55 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1jgs h GLU 31 CO -0.34 0.50 -0.69 1.88 -1.00 0.00 0.00 179.01 179.36 1jgs h TYR 32 N 0.58 0.00 -0.01 4.33 0.99 0.45 -3.24 116.97 120.07 1jgs h TYR 32 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1jgs h TYR 32 Cb 0.15 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.88 1jgs h TYR 32 CO 0.01 0.69 -0.47 1.28 -0.00 0.00 0.00 178.16 179.67 1jgs n LEU 33 N -3.46 1.24 -0.34 3.88 4.77 -0.64 -4.44 117.00 118.01 1jgs n LEU 33 Ca 0.00 -0.40 0.12 0.00 -0.03 0.00 0.00 56.01 55.70 1jgs n LEU 33 Cb 0.74 -0.09 0.31 0.00 -2.33 0.00 0.00 43.42 42.05 1jgs n LEU 33 CO 0.43 0.25 1.17 -1.28 -1.33 0.00 0.00 177.39 176.62 1jgs h SER 34 N 1.20 0.72 1.28 -1.43 0.87 -1.18 -1.09 113.55 113.92 1jgs h SER 34 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1jgs h SER 34 Cb 0.58 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1jgs h SER 34 CO 0.00 0.25 -0.19 -2.65 -0.53 0.00 0.00 176.83 173.70 1jgs n PRO 35 N -4.80 0.27 -3.42 2.24 -0.02 -1.26 -4.88 135.00 123.12 1jgs n PRO 35 Ca 0.22 0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 1jgs n PRO 35 Cb 0.56 -1.76 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1jgs n PRO 35 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jgs s LEU 36 N -4.41 4.15 -1.59 2.45 1.43 -0.41 -4.98 118.68 115.32 1jgs s LEU 36 Ca 0.09 0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 1jgs s LEU 36 Cb 0.13 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 1jgs s LEU 36 CO 0.63 -0.09 2.84 -0.67 0.23 0.00 0.00 176.35 179.29 1jgs n ASP 37 N -0.31 7.94 -3.57 2.29 4.64 -1.26 -4.76 116.55 121.51 1jgs n ASP 37 Ca -0.00 -2.61 -0.13 0.00 -1.38 0.00 0.00 54.79 50.67 1jgs n ASP 37 Cb 0.53 -1.56 -0.06 0.00 -1.04 0.00 0.00 41.12 38.98 1jgs n ASP 37 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1jgs s ILE 38 N 2.36 0.00 0.17 5.18 2.07 -1.26 -5.17 121.20 124.55 1jgs s ILE 38 Ca 0.66 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.94 1jgs s ILE 38 Cb 0.17 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 1jgs s ILE 38 CO -0.06 0.00 0.23 0.42 -1.91 0.00 0.00 174.94 173.61 1jgs s THR 39 N -0.90 4.92 0.22 4.00 -4.23 -1.26 -4.77 115.64 113.62 1jgs s THR 39 Ca -0.04 -0.93 -0.09 0.00 -1.18 0.00 0.00 61.69 59.45 1jgs s THR 39 Cb -0.01 -3.55 0.18 0.00 1.34 0.00 0.00 72.50 70.46 1jgs s THR 39 CO 0.04 -0.14 1.70 0.00 -0.54 0.00 0.00 174.62 175.67 1jgs h ALA 40 N 2.09 0.76 -0.68 3.99 0.00 -1.93 0.74 119.26 124.22 1jgs h ALA 40 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jgs h ALA 40 Cb 1.20 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1jgs h ALA 40 CO 0.65 -0.31 0.43 0.00 0.00 0.00 0.00 179.25 180.02 1jgs h ALA 41 N 1.51 0.86 -0.73 0.00 0.00 -1.99 -0.15 119.26 118.76 1jgs h ALA 41 Ca 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1jgs h ALA 41 Cb 0.52 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jgs h ALA 41 CO -0.43 0.31 0.39 1.96 0.00 0.00 0.00 179.25 181.47 1jgs h GLN 42 N 0.92 1.04 -0.41 0.00 4.20 -1.52 -1.05 115.11 118.28 1jgs h GLN 42 Ca 0.25 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1jgs h GLN 42 Cb -0.08 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.49 1jgs h GLN 42 CO -0.05 0.79 0.24 0.35 -0.67 0.00 0.00 178.83 179.48 1jgs h PHE 43 N 1.02 0.56 -0.28 2.96 3.57 -0.26 -1.39 116.94 123.12 1jgs h PHE 43 Ca 0.26 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1jgs h PHE 43 Cb 0.07 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1jgs h PHE 43 CO 0.00 0.41 0.18 0.87 -2.23 0.00 0.00 178.31 177.54 1jgs h LYS 44 N 0.54 0.37 -0.66 1.11 1.57 -0.74 -0.75 116.57 118.01 1jgs h LYS 44 Ca 0.15 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1jgs h LYS 44 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1jgs h LYS 44 CO -0.03 0.25 0.43 0.28 -0.57 0.00 0.00 179.45 179.82 1jgs h VAL 45 N 0.37 1.08 -0.23 0.50 2.07 -0.93 -1.02 116.25 118.09 1jgs h VAL 45 Ca 0.10 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 1jgs h VAL 45 Cb -0.03 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1jgs h VAL 45 CO -0.02 0.14 -0.29 -0.07 0.02 0.00 0.00 177.57 177.35 1jgs h LEU 46 N 0.77 0.65 -1.10 2.57 3.38 -0.52 -2.25 115.31 118.81 1jgs h LEU 46 Ca 0.26 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 1jgs h LEU 46 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jgs h LEU 46 CO -0.07 1.02 0.13 0.00 0.09 0.00 0.00 178.44 179.61 1jgs h SER 48 N 0.75 0.86 -0.26 0.00 0.02 -1.15 -2.57 113.55 111.20 1jgs h SER 48 Ca 0.17 -0.42 -0.18 0.00 -0.84 0.00 0.00 61.79 60.52 1jgs h SER 48 Cb 0.26 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jgs h SER 48 CO -0.00 1.18 -0.53 0.40 -1.14 0.00 0.00 176.83 176.74 1jgs h ILE 49 N 0.64 1.28 0.08 3.27 2.04 -1.21 -3.17 117.51 120.44 1jgs h ILE 49 Ca 0.04 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1jgs h ILE 49 Cb 1.02 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1jgs h ILE 49 CO 0.10 0.55 -0.22 -0.09 0.00 0.00 0.00 178.15 178.49 1jgs h ARG 50 N 0.58 -0.32 -0.95 2.37 2.43 -1.12 -1.13 114.38 116.25 1jgs h ARG 50 Ca 0.01 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.49 1jgs h ARG 50 Cb 1.14 0.07 -0.16 0.00 -0.42 0.00 0.00 29.97 30.60 1jgs h ARG 50 CO 0.12 -0.22 0.25 0.00 -1.51 0.00 0.00 179.97 178.62 1jgs n ALA 52 N -2.72 2.51 0.00 0.00 0.00 -1.07 -4.92 120.51 114.31 1jgs n ALA 52 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1jgs n ALA 52 Cb 0.85 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1jgs n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgs n ALA 53 N -1.34 0.00 -3.54 0.00 0.00 0.37 -4.54 120.51 111.46 1jgs n ALA 53 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1jgs n ALA 53 Cb 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 1jgs n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgs s ILE 55 N 0.86 0.06 0.50 0.00 2.07 -1.05 -4.95 121.20 118.69 1jgs s ILE 55 Ca -0.07 -0.48 -0.19 0.00 -1.41 0.00 0.00 60.65 58.51 1jgs s ILE 55 Cb -0.09 -0.59 -0.08 0.00 0.13 0.00 0.00 42.46 41.83 1jgs s ILE 55 CO -0.04 -0.26 1.02 0.42 -1.91 0.00 0.00 174.94 174.16 1jgs s THR 56 N -1.29 4.04 0.23 4.00 -4.23 -1.26 -0.98 115.64 116.15 1jgs s THR 56 Ca -0.13 1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 61.46 1jgs s THR 56 Cb -0.05 -3.51 0.21 0.00 1.34 0.00 0.00 72.50 70.48 1jgs s THR 56 CO 0.04 -0.39 1.89 -0.65 -0.54 0.00 0.00 174.62 174.97 1jgs h PRO 57 N 1.29 1.09 -0.52 3.99 0.11 -1.94 0.14 132.00 136.15 1jgs h PRO 57 Ca -0.48 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1jgs h PRO 57 Cb 1.21 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1jgs h PRO 57 CO 0.59 0.72 0.20 0.28 -0.21 0.00 0.00 178.00 179.59 1jgs h VAL 58 N 1.12 1.22 -0.71 3.15 2.07 -1.94 0.77 116.25 121.93 1jgs h VAL 58 Ca 0.33 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1jgs h VAL 58 Cb -0.05 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1jgs h VAL 58 CO -0.10 0.26 0.32 -0.08 0.02 0.00 0.00 177.57 177.99 1jgs h GLU 59 N 0.71 1.04 -0.51 1.57 4.57 -1.85 -0.70 114.58 119.41 1jgs h GLU 59 Ca 0.17 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1jgs h GLU 59 Cb 0.21 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1jgs h GLU 59 CO -0.01 0.84 0.12 1.25 -1.18 0.00 0.00 179.01 180.02 1jgs h LEU 60 N 1.00 0.73 -0.89 1.64 5.85 -0.07 -0.60 115.31 122.97 1jgs h LEU 60 Ca 0.24 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1jgs h LEU 60 Cb 0.16 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1jgs h LEU 60 CO -0.03 0.73 0.57 0.50 -0.34 0.00 0.00 178.44 179.87 1jgs h LYS 61 N 0.76 1.19 -0.26 1.25 3.64 0.16 -1.31 116.57 122.00 1jgs h LYS 61 Ca 0.17 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 1jgs h LYS 61 Cb 0.29 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1jgs h LYS 61 CO -0.00 0.80 -0.42 0.87 -2.27 0.00 0.00 179.45 178.43 1jgs h LYS 62 N 1.21 0.75 -0.30 1.90 1.57 -0.46 -1.53 116.57 119.71 1jgs h LYS 62 Ca 0.32 -0.46 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1jgs h LYS 62 Cb -0.11 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1jgs h LYS 62 CO -0.07 1.08 -0.11 0.28 -0.57 0.00 0.00 179.45 180.07 1jgs h VAL 63 N 0.49 1.22 0.00 0.50 2.07 -0.83 -3.05 116.25 116.65 1jgs h VAL 63 Ca 0.02 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1jgs h VAL 63 Cb 1.02 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1jgs h VAL 63 CO 0.10 0.32 -0.94 -0.07 0.02 0.00 0.00 177.57 177.00 1jgs h LEU 64 N 0.46 0.00 -2.42 2.57 3.38 -1.25 -3.49 115.31 114.56 1jgs h LEU 64 Ca 0.09 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1jgs h LEU 64 Cb 0.47 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.26 1jgs h LEU 64 CO 0.03 0.00 -0.20 -1.20 0.09 0.00 0.00 178.44 177.16 1jgs n SER 65 N -2.69 -7.51 -4.09 -0.43 7.64 -0.58 -5.03 113.62 100.94 1jgs n SER 65 Ca 0.00 -0.22 -0.08 0.00 1.01 0.00 0.00 58.87 59.58 1jgs n SER 65 Cb 0.55 -5.20 -0.10 0.00 -1.01 0.00 0.00 64.21 58.45 1jgs n SER 65 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1jgs s VAL 66 N -3.08 0.15 0.24 0.44 1.01 -1.18 -5.08 120.40 112.90 1jgs s VAL 66 Ca 0.09 -1.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 1jgs s VAL 66 Cb -0.01 -1.76 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 1jgs s VAL 66 CO 0.75 -0.68 1.39 -0.62 0.00 0.00 0.00 175.10 175.94 1jgs s ASP 67 N -2.97 6.74 0.22 3.32 3.68 -1.26 -4.89 116.67 121.50 1jgs s ASP 67 Ca 0.15 2.58 -0.09 0.00 2.13 0.00 0.00 52.55 57.32 1jgs s ASP 67 Cb 0.07 -2.62 0.18 0.00 -1.45 0.00 0.00 42.92 39.10 1jgs s ASP 67 CO -0.04 -0.63 1.86 0.25 0.13 0.00 0.00 175.17 176.74 1jgs h LEU 68 N 5.05 0.98 -0.77 -1.34 5.85 -2.00 -2.38 115.31 120.71 1jgs h LEU 68 Ca -0.46 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.28 1jgs h LEU 68 Cb 1.22 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 1jgs h LEU 68 CO 0.77 0.76 0.44 1.23 -0.34 0.00 0.00 178.44 181.29 1jgs h GLY 69 N 1.12 1.17 2.00 3.75 0.00 -2.00 -0.88 103.07 108.23 1jgs h GLY 69 Ca 0.29 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1jgs h GLY 69 CO -0.05 0.14 -0.23 0.00 0.00 0.00 0.00 176.54 176.40 1jgs h ALA 70 N 1.42 0.97 -0.05 3.60 0.00 -1.86 -2.80 119.26 120.53 1jgs h ALA 70 Ca 0.36 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1jgs h ALA 70 Cb 0.29 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jgs h ALA 70 CO -0.22 0.29 -0.40 1.25 0.00 0.00 0.00 179.25 180.16 1jgs h LEU 71 N 0.00 0.45 -0.25 0.00 5.85 -0.71 -1.44 115.31 119.21 1jgs h LEU 71 Ca -0.00 -0.68 0.03 0.00 0.84 0.00 0.00 57.88 58.07 1jgs h LEU 71 Cb 0.84 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1jgs h LEU 71 CO 0.03 1.06 0.05 0.74 -0.34 0.00 0.00 178.44 179.98 1jgs h THR 72 N -0.13 0.88 -0.65 1.05 2.02 -1.14 1.03 112.91 115.96 1jgs h THR 72 Ca -0.03 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 1jgs h THR 72 Cb 1.08 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1jgs h THR 72 CO 0.08 0.03 0.10 0.03 0.37 0.00 0.00 175.52 176.13 1jgs h ARG 73 N 0.14 1.08 -0.14 6.66 3.08 -1.56 -1.34 114.38 122.30 1jgs h ARG 73 Ca 0.11 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1jgs h ARG 73 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1jgs h ARG 73 CO -0.15 1.00 0.07 1.98 -1.07 0.00 0.00 179.97 181.80 1jgs h MET 74 N 1.00 0.16 -0.78 0.04 4.05 -0.15 0.44 114.93 119.69 1jgs h MET 74 Ca 0.20 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1jgs h MET 74 Cb 0.45 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.17 1jgs h MET 74 CO 0.01 0.10 0.40 -0.07 0.23 0.00 0.00 176.91 177.58 1jgs h LEU 75 N 0.16 1.00 -0.50 3.39 3.38 0.13 -0.19 115.31 122.67 1jgs h LEU 75 Ca 0.06 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1jgs h LEU 75 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1jgs h LEU 75 CO -0.03 0.83 0.01 0.44 0.09 0.00 0.00 178.44 179.77 1jgs h ASP 76 N 1.11 0.87 -0.73 -0.43 3.32 -0.83 -0.80 116.42 118.92 1jgs h ASP 76 Ca 0.27 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1jgs h ASP 76 Cb 0.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1jgs h ASP 76 CO -0.04 0.96 0.36 -0.09 -1.72 0.00 0.00 179.24 178.71 1jgs h ARG 77 N 0.75 1.05 -0.35 3.56 9.65 -0.36 -1.20 114.38 127.48 1jgs h ARG 77 Ca 0.14 -0.15 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 1jgs h ARG 77 Cb 0.51 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1jgs h ARG 77 CO 0.02 0.81 -0.01 -0.07 2.80 0.00 0.00 179.97 183.53 1jgs h LEU 78 N 1.02 0.52 -0.41 3.80 3.38 -0.62 -1.39 115.31 121.61 1jgs h LEU 78 Ca 0.25 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1jgs h LEU 78 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jgs h LEU 78 CO -0.03 0.59 -0.16 0.58 0.09 0.00 0.00 178.44 179.51 1jgs h VAL 79 N 0.53 1.28 -0.34 1.22 2.07 -0.70 -0.96 116.25 119.34 1jgs h VAL 79 Ca 0.11 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.38 1jgs h VAL 79 Cb 0.35 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1jgs h VAL 79 CO 0.01 0.43 0.23 0.00 0.02 0.00 0.00 177.57 178.27 1jgs n LYS 81 N -4.48 0.66 -1.28 0.00 5.02 -0.59 -4.91 118.16 112.58 1jgs n LYS 81 Ca 0.03 -0.16 -0.06 0.00 -2.02 0.00 0.00 58.31 56.10 1jgs n LYS 81 Cb 0.19 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1jgs n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jgs n GLY 82 N 1.26 0.78 0.04 0.72 0.00 0.12 -4.92 105.19 103.18 1jgs n GLY 82 Ca 0.15 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.53 1jgs n GLY 82 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jgs n TRP 83 N -2.95 0.25 -4.09 1.61 8.01 -0.41 -3.94 117.44 115.92 1jgs n TRP 83 Ca -0.06 0.07 -0.14 0.00 -1.31 0.00 0.00 57.50 56.06 1jgs n TRP 83 Cb 0.24 -0.56 -0.11 0.00 -2.01 0.00 0.00 31.31 28.87 1jgs n TRP 83 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 1jgs s VAL 84 N -3.41 0.67 0.03 -0.99 1.01 -1.19 -1.60 120.40 114.92 1jgs s VAL 84 Ca -0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 1jgs s VAL 84 Cb 0.13 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1jgs s VAL 84 CO 0.87 -0.40 0.01 -1.83 0.00 0.00 0.00 175.10 173.75 1jgs s GLU 85 N -1.82 0.44 -0.13 2.72 -1.05 0.05 -4.27 118.70 114.64 1jgs s GLU 85 Ca -0.06 -0.74 -0.04 0.00 -0.15 0.00 0.00 54.97 53.98 1jgs s GLU 85 Cb -0.09 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1jgs s GLU 85 CO 0.00 -0.09 0.01 0.50 0.95 0.00 0.00 175.26 176.64 1jgs s ARG 86 N -2.17 3.39 0.15 -4.83 3.52 -1.26 -1.20 118.95 116.55 1jgs s ARG 86 Ca -0.09 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 1jgs s ARG 86 Cb -0.04 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1jgs s ARG 86 CO -0.03 0.51 -0.09 -0.48 -0.81 0.00 0.00 175.30 174.39 1jgs s LEU 87 N -0.33 2.51 0.40 -0.88 2.34 -0.15 -4.95 118.68 117.62 1jgs s LEU 87 Ca 0.07 -1.02 -0.26 0.00 0.06 0.00 0.00 54.13 52.98 1jgs s LEU 87 Cb -0.12 -0.31 -0.09 0.00 -0.56 0.00 0.00 46.19 45.10 1jgs s LEU 87 CO 0.02 -0.35 1.30 -2.84 -1.06 0.00 0.00 176.35 173.42 1jgs s PRO 88 N -3.76 4.01 -0.27 1.48 0.02 -1.26 0.29 135.00 135.50 1jgs s PRO 88 Ca 0.17 2.16 -0.25 0.00 0.02 0.00 0.00 61.00 63.10 1jgs s PRO 88 Cb 0.03 -2.79 -0.00 0.00 0.02 0.00 0.00 34.50 31.76 1jgs s PRO 88 CO 0.00 -0.46 0.84 1.21 -0.33 0.00 0.00 177.00 178.27 1jgs s ASN 89 N -0.71 6.79 0.06 2.53 3.84 -0.88 -4.58 114.94 121.99 1jgs s ASN 89 Ca 0.56 0.91 -0.26 0.00 0.21 0.00 0.00 52.86 54.28 1jgs s ASN 89 Cb -0.38 -2.44 -0.17 0.00 -0.55 0.00 0.00 41.25 37.71 1jgs s ASN 89 CO 0.49 -0.59 1.59 -0.65 -2.79 0.00 0.00 177.10 175.15 1jgs h PRO 90 N 7.87 -0.31 0.00 0.43 0.11 -1.93 -2.58 132.00 135.60 1jgs h PRO 90 Ca -0.23 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1jgs h PRO 90 Cb 1.09 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jgs h PRO 90 CO 0.89 -0.13 0.00 0.09 -0.21 0.00 0.00 178.00 178.64 1jgs n ASN 91 N -5.18 0.00 0.00 -2.05 3.02 -1.26 -4.63 115.26 105.16 1jgs n ASN 91 Ca -0.09 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1jgs n ASN 91 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1jgs n ASN 91 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1jgs n ASP 92 N -0.55 0.47 0.00 6.41 4.64 -0.97 -5.07 116.55 121.48 1jgs n ASP 92 Ca 0.01 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.42 1jgs n ASP 92 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1jgs n ASP 92 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1jgs n LYS 93 N 0.00 0.00 -0.14 -0.67 3.00 -1.22 -4.89 118.16 114.24 1jgs n LYS 93 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1jgs n LYS 93 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 35.03 35.18 1jgs n LYS 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1jgs n ARG 94 N 0.00 2.08 -4.37 1.64 3.00 -1.26 -4.99 116.66 112.76 1jgs n ARG 94 Ca 0.00 -1.91 -0.22 0.00 -0.00 0.00 0.00 57.85 55.71 1jgs n ARG 94 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 32.46 31.02 1jgs n ARG 94 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1jgs s GLY 95 N -1.18 2.50 0.24 5.14 0.00 -1.26 -5.10 107.32 107.67 1jgs s GLY 95 Ca 0.27 -1.74 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1jgs s GLY 95 CO 0.22 -1.61 0.11 -1.34 0.00 0.00 0.00 173.10 170.49 1jgs s VAL 96 N -3.33 0.35 0.25 1.40 -7.23 -1.26 -2.08 120.40 108.50 1jgs s VAL 96 Ca 0.34 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.61 1jgs s VAL 96 Cb 0.02 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1jgs s VAL 96 CO 0.24 0.00 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.10 1jgs s LEU 97 N -3.27 2.57 -0.02 1.32 1.43 0.14 -4.35 118.68 116.51 1jgs s LEU 97 Ca 0.38 -1.03 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1jgs s LEU 97 Cb 0.07 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.39 1jgs s LEU 97 CO 0.14 -0.07 -0.16 0.68 0.23 0.00 0.00 176.35 177.16 1jgs s VAL 98 N -2.74 1.29 0.14 -1.59 -7.23 -0.15 -0.98 120.40 109.14 1jgs s VAL 98 Ca 0.27 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.73 1jgs s VAL 98 Cb -0.03 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1jgs s VAL 98 CO 0.11 0.37 0.08 -1.59 -0.31 0.00 0.00 175.10 173.76 1jgs s LYS 99 N -0.28 0.96 0.38 4.82 -2.85 -0.34 -2.51 119.74 119.92 1jgs s LYS 99 Ca 0.04 -1.42 -0.24 0.00 -1.00 0.00 0.00 55.97 53.35 1jgs s LYS 99 Cb -0.07 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 35.85 1jgs s LYS 99 CO -0.00 -0.28 0.95 -0.51 0.10 0.00 0.00 175.35 175.61 1jgs s LEU 100 N -3.05 4.14 0.69 2.77 1.43 -1.26 -0.77 118.68 122.63 1jgs s LEU 100 Ca 0.24 1.78 -0.07 0.00 -1.03 0.00 0.00 54.13 55.05 1jgs s LEU 100 Cb 0.07 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 42.07 1jgs s LEU 100 CO 0.02 -0.23 1.00 0.42 0.23 0.00 0.00 176.35 177.80 1jgs s THR 101 N -1.89 2.45 0.15 5.49 -4.23 -0.63 -4.78 115.64 112.21 1jgs s THR 101 Ca 0.56 -0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.66 1jgs s THR 101 Cb -0.14 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1jgs s THR 101 CO 0.19 -0.06 1.68 0.74 -0.54 0.00 0.00 174.62 176.63 1jgs h THR 102 N -0.55 0.69 -0.63 3.99 2.02 -1.89 0.97 112.91 117.52 1jgs h THR 102 Ca -0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.76 1jgs h THR 102 Cb 1.31 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1jgs h THR 102 CO 0.60 0.00 0.40 1.23 0.37 0.00 0.00 175.52 178.12 1jgs h GLY 103 N -0.00 0.90 0.66 2.16 0.00 -1.92 -1.49 103.07 103.37 1jgs h GLY 103 Ca 0.14 -0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.24 1jgs h GLY 103 CO -0.31 0.27 0.44 -1.33 0.00 0.00 0.00 176.54 175.62 1jgs h GLY 104 N 0.79 1.15 0.90 4.60 0.00 -1.40 0.06 103.07 109.17 1jgs h GLY 104 Ca 0.25 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1jgs h GLY 104 CO -0.08 0.18 0.36 0.00 0.00 0.00 0.00 176.54 177.00 1jgs h ALA 105 N 1.39 0.74 0.05 3.60 0.00 -0.12 -0.59 119.26 124.34 1jgs h ALA 105 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jgs h ALA 105 Cb 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jgs h ALA 105 CO -0.19 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.13 1jgs h ALA 106 N 1.24 -0.07 -0.48 0.00 0.00 -0.40 -1.75 119.26 117.81 1jgs h ALA 106 Ca 0.23 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1jgs h ALA 106 Cb -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1jgs h ALA 106 CO -0.09 -0.44 -0.01 0.82 0.00 0.00 0.00 179.25 179.52 1jgs h ILE 107 N -0.26 0.61 0.00 0.00 1.08 -0.75 0.27 117.51 118.45 1jgs h ILE 107 Ca -0.01 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1jgs h ILE 107 Cb 0.23 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1jgs h ILE 107 CO 0.01 0.02 -0.04 0.00 -0.69 0.00 0.00 178.15 177.45 1jgs h GLU 109 N 0.00 0.29 -0.38 0.00 4.57 -0.09 -1.88 114.58 117.10 1jgs h GLU 109 Ca -0.00 -0.50 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1jgs h GLU 109 Cb 0.09 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1jgs h GLU 109 CO 0.00 1.17 0.23 1.96 -1.18 0.00 0.00 179.01 181.20 1jgs h GLN 110 N 0.08 0.46 0.06 1.92 4.20 -0.14 -1.86 115.11 119.83 1jgs h GLN 110 Ca -0.32 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.36 1jgs h GLN 110 Cb 2.05 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.73 1jgs h GLN 110 CO 0.15 0.31 -0.03 0.00 -0.67 0.00 0.00 178.83 178.59 1jgs h HIS 112 N -0.42 1.02 -0.06 0.00 -0.00 -1.25 -0.85 115.15 113.59 1jgs h HIS 112 Ca -0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1jgs h HIS 112 Cb 0.37 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1jgs h HIS 112 CO 0.04 0.37 -0.10 1.96 -0.00 0.00 0.00 177.93 180.21 1jgs h GLN 113 N 0.86 0.17 0.70 5.26 4.20 -1.34 -2.30 115.11 122.65 1jgs h GLN 113 Ca 0.49 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 59.06 1jgs h GLN 113 Cb 0.62 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.42 1jgs h GLN 113 CO -0.26 0.67 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.17 1jgs h LEU 114 N -0.32 -0.80 -0.97 1.46 3.38 -1.00 -1.94 115.31 115.13 1jgs h LEU 114 Ca 0.00 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1jgs h LEU 114 Cb 0.66 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1jgs h LEU 114 CO 0.02 -0.48 0.62 0.58 0.09 0.00 0.00 178.44 179.27 1jgs h VAL 115 N -1.09 1.06 0.00 1.22 2.07 -1.32 0.55 116.25 118.74 1jgs h VAL 115 Ca -0.10 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1jgs h VAL 115 Cb 0.75 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jgs h VAL 115 CO 0.16 0.20 -0.07 1.23 0.02 0.00 0.00 177.57 179.11 1jgs h GLY 116 N 1.11 0.00 1.24 2.17 0.00 -1.33 -0.31 103.07 105.95 1jgs h GLY 116 Ca 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.71 1jgs h GLY 116 CO -0.18 0.00 -0.90 1.46 0.00 0.00 0.00 176.54 176.92 1jgs h GLN 117 N 0.00 0.00 0.06 4.80 4.20 -0.10 -3.24 115.11 120.83 1jgs h GLN 117 Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.36 1jgs h GLN 117 Cb 0.19 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1jgs h GLN 117 CO 0.01 0.11 -1.99 -0.25 -0.67 0.00 0.00 178.83 176.03 1jgs n ASP 118 N -2.84 1.51 0.17 1.46 10.43 -0.69 -4.00 116.55 122.59 1jgs n ASP 118 Ca -0.01 0.22 -0.14 0.00 2.57 0.00 0.00 54.79 57.43 1jgs n ASP 118 Cb 0.63 -0.38 -0.08 0.00 1.84 0.00 0.00 41.12 43.13 1jgs n ASP 118 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1jgs h LEU 119 N 0.03 -0.38 -0.83 0.64 3.38 -1.24 -0.68 115.31 116.22 1jgs h LEU 119 Ca -0.41 -0.15 0.16 0.00 0.09 0.00 0.00 57.88 57.57 1jgs h LEU 119 Cb 2.03 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 42.72 1jgs h LEU 119 CO 0.06 -0.04 -0.24 -0.74 0.09 0.00 0.00 178.44 177.57 1jgs h HIS 120 N -0.76 -0.56 0.64 1.13 2.76 -1.76 0.61 115.15 117.21 1jgs h HIS 120 Ca -0.05 0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1jgs h HIS 120 Cb 0.51 0.38 0.01 0.00 1.55 0.00 0.00 27.41 29.85 1jgs h HIS 120 CO 0.02 -0.37 -0.31 1.96 -1.30 0.00 0.00 177.93 177.93 1jgs h GLN 121 N -0.02 -0.83 -0.67 5.26 1.08 -1.67 -1.07 115.11 117.19 1jgs h GLN 121 Ca 0.38 0.06 0.13 0.00 -1.45 0.00 0.00 58.65 57.77 1jgs h GLN 121 Cb 0.61 0.19 -0.09 0.00 -0.05 0.00 0.00 27.48 28.14 1jgs h GLN 121 CO -0.86 -0.55 0.19 0.93 -0.95 0.00 0.00 178.83 177.58 1jgs h GLU 122 N -0.94 0.31 -0.50 1.46 4.39 -0.08 1.31 114.58 120.53 1jgs h GLU 122 Ca -0.09 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 1jgs h GLU 122 Cb 0.66 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1jgs h GLU 122 CO 0.14 0.21 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.02 1jgs h LEU 123 N 0.32 0.92 -0.61 1.33 3.38 0.14 -2.94 115.31 117.85 1jgs h LEU 123 Ca 0.36 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jgs h LEU 123 Cb 0.56 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jgs h LEU 123 CO -0.42 1.04 -0.21 0.41 0.09 0.00 0.00 178.44 179.35 1jgs n THR 124 N -4.15 0.00 -0.37 0.22 -1.04 -0.40 -4.49 114.28 104.05 1jgs n THR 124 Ca 0.01 -0.16 0.29 0.00 -2.04 0.00 0.00 64.05 62.15 1jgs n THR 124 Cb 0.39 0.45 0.56 0.00 -1.82 0.00 0.00 70.33 69.91 1jgs n THR 124 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1jgs h LYS 125 N 1.49 0.25 0.00 -2.82 2.10 0.19 -2.89 116.57 114.89 1jgs h LYS 125 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1jgs h LYS 125 Cb 0.52 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1jgs h LYS 125 CO 0.00 0.16 -0.05 0.27 -2.00 0.00 0.00 179.45 177.83 1jgs n ASN 126 N -4.75 0.25 0.01 7.07 2.04 -1.26 -4.70 115.26 113.91 1jgs n ASN 126 Ca 0.32 -0.45 0.11 0.00 -0.44 0.00 0.00 54.58 54.12 1jgs n ASN 126 Cb 1.12 0.94 0.00 0.00 -2.53 0.00 0.00 39.78 39.32 1jgs n ASN 126 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1jgs n LEU 127 N -0.97 0.73 -0.22 -4.53 -0.00 -1.17 -4.50 117.00 106.34 1jgs n LEU 127 Ca 0.00 -0.24 0.18 0.00 -0.00 0.00 0.00 56.01 55.95 1jgs n LEU 127 Cb 0.00 -0.09 0.33 0.00 -0.00 0.00 0.00 43.42 43.66 1jgs n LEU 127 CO 0.00 0.16 0.65 0.41 -0.00 0.00 0.00 177.39 178.61 1jgs n THR 128 N -1.64 -0.28 0.35 1.47 -1.04 -1.10 0.43 114.28 112.47 1jgs n THR 128 Ca 0.03 1.40 -0.17 0.00 -2.04 0.00 0.00 64.05 63.27 1jgs n THR 128 Cb 0.37 -2.19 -0.09 0.00 -1.82 0.00 0.00 70.33 66.60 1jgs n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jgs h ALA 129 N 1.34 -1.20 -0.23 2.41 0.00 -1.90 0.12 119.26 119.80 1jgs h ALA 129 Ca 0.52 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1jgs h ALA 129 Cb 1.29 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1jgs h ALA 129 CO -0.55 -1.18 0.43 -0.44 0.00 0.00 0.00 179.25 177.50 1jgs h ASP 130 N -1.02 0.00 -2.19 0.00 5.19 -0.34 -3.47 116.42 114.58 1jgs h ASP 130 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1jgs h ASP 130 Cb 0.83 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1jgs h ASP 130 CO 0.06 0.00 0.00 1.21 -3.12 0.00 0.00 179.24 177.39 1jgs n GLU 131 N -3.30 0.00 -0.61 3.56 4.07 0.43 -4.63 120.64 120.16 1jgs n GLU 131 Ca 0.03 0.37 0.48 0.00 -0.06 0.00 0.00 57.16 57.98 1jgs n GLU 131 Cb 0.54 -0.72 0.74 0.00 -0.06 0.00 0.00 31.44 31.94 1jgs n GLU 131 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1jgs n VAL 132 N 0.28 0.00 -0.10 6.31 0.31 -1.26 0.44 118.33 124.32 1jgs n VAL 132 Ca 0.00 1.44 0.00 0.00 -0.01 0.00 0.00 64.34 65.77 1jgs n VAL 132 Cb 0.00 -2.43 0.27 0.00 -0.91 0.00 0.00 33.84 30.77 1jgs n VAL 132 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jgs h ALA 133 N 0.89 1.41 -0.06 3.52 0.00 -1.94 0.10 119.26 123.18 1jgs h ALA 133 Ca 0.84 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 1jgs h ALA 133 Cb 3.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 21.18 1jgs h ALA 133 CO -0.01 0.45 -0.15 1.15 0.00 0.00 0.00 179.25 180.69 1jgs h THR 134 N 0.75 1.42 -0.59 0.00 2.02 -0.27 -0.12 112.91 116.12 1jgs h THR 134 Ca 0.18 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.87 1jgs h THR 134 Cb 0.12 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 1jgs h THR 134 CO -0.02 0.42 0.37 0.25 0.37 0.00 0.00 175.52 176.91 1jgs h LEU 135 N -0.29 0.70 -0.74 2.58 5.85 -1.60 -0.79 115.31 121.02 1jgs h LEU 135 Ca -0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1jgs h LEU 135 Cb 0.75 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 1jgs h LEU 135 CO 0.03 0.53 0.47 -0.33 -0.34 0.00 0.00 178.44 178.81 1jgs h GLU 136 N 0.80 0.99 0.67 1.25 5.08 -0.77 0.82 114.58 123.42 1jgs h GLU 136 Ca 0.22 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1jgs h GLU 136 Cb -0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1jgs h GLU 136 CO -0.04 0.67 -0.43 -0.92 -1.00 0.00 0.00 179.01 177.30 1jgs h TYR 137 N 1.01 -1.13 -0.90 4.33 3.20 -0.26 -1.67 116.97 121.55 1jgs h TYR 137 Ca 0.27 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.17 1jgs h TYR 137 Cb -0.08 0.41 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 1jgs h TYR 137 CO -0.02 -0.64 0.59 -0.07 -1.64 0.00 0.00 178.16 176.38 1jgs h LEU 138 N -1.04 0.95 -1.89 2.82 3.38 -0.98 -1.24 115.31 117.30 1jgs h LEU 138 Ca -0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1jgs h LEU 138 Cb 0.84 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jgs h LEU 138 CO 0.08 0.64 -0.13 -0.07 0.09 0.00 0.00 178.44 179.05 1jgs h LEU 139 N 1.09 0.00 -0.17 1.67 3.38 -0.57 -1.91 115.31 118.80 1jgs h LEU 139 Ca 0.36 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.11 1jgs h LEU 139 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jgs h LEU 139 CO -0.12 0.13 -0.79 0.11 0.09 0.00 0.00 178.44 177.86 1jgs h LYS 140 N 0.00 0.78 0.00 1.13 1.57 -0.27 -2.95 116.57 116.83 1jgs h LYS 140 Ca -0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 1jgs h LYS 140 Cb 0.28 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1jgs h LYS 140 CO 0.02 1.25 0.00 1.63 -0.57 0.00 0.00 179.45 181.77 1jgs n LYS 141 N -3.93 0.03 -0.00 3.15 5.02 -0.73 -1.11 118.16 120.60 1jgs n LYS 141 Ca -0.07 0.31 -0.02 0.00 -2.02 0.00 0.00 58.31 56.51 1jgs n LYS 141 Cb 0.75 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 1jgs n LYS 141 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1jgs n VAL 142 N -1.35 1.18 -0.02 -0.18 0.31 -1.12 -4.59 118.33 112.55 1jgs n VAL 142 Ca 0.01 -0.72 -0.13 0.00 -0.01 0.00 0.00 64.34 63.49 1jgs n VAL 142 Cb 0.03 -0.67 -0.09 0.00 -0.91 0.00 0.00 33.84 32.20 1jgs n VAL 142 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1jgs h LEU 143 N 0.00 0.08 0.00 7.52 3.38 -1.19 -3.52 115.31 121.58 1jgs h LEU 143 Ca -0.23 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1jgs h LEU 143 Cb 1.71 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1jgs h LEU 143 CO 0.04 0.57 0.00 -0.81 0.09 0.00 0.00 178.44 178.33