#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ju8 s ASN 2 N 0.00 6.14 0.00 3.17 4.22 -1.26 -4.76 114.94 122.44 2ju8 s ASN 2 Ca 0.00 -1.21 0.00 0.00 -2.14 0.00 0.00 52.86 49.51 2ju8 s ASN 2 Cb 0.00 -2.18 0.00 0.00 1.28 0.00 0.00 41.25 40.35 2ju8 s ASN 2 CO 0.00 -0.59 0.00 0.49 -2.04 0.00 0.00 177.10 174.96 2ju8 n PHE 3 N 5.19 0.00 -3.61 1.54 3.72 -1.26 -4.98 117.46 118.06 2ju8 n PHE 3 Ca -0.12 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.92 2ju8 n PHE 3 Cb 0.45 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.91 2ju8 n PHE 3 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2ju8 s SER 4 N -2.60 6.32 -0.08 4.37 1.04 -1.26 -4.75 113.70 116.74 2ju8 s SER 4 Ca 0.00 0.37 -0.32 0.00 0.48 0.00 0.00 55.95 56.48 2ju8 s SER 4 Cb 0.00 -2.14 0.13 0.00 0.10 0.00 0.00 66.02 64.11 2ju8 s SER 4 CO 0.00 0.11 1.31 -0.83 0.98 0.00 0.00 173.24 174.81 2ju8 s GLY 5 N 0.53 -0.39 -0.26 7.32 0.00 -1.02 -5.00 107.32 108.50 2ju8 s GLY 5 Ca 0.13 1.00 -0.07 0.00 0.00 0.00 0.00 44.72 45.78 2ju8 s GLY 5 CO 0.02 0.24 0.06 1.25 0.00 0.00 0.00 173.10 174.68 2ju8 s LYS 6 N -2.32 3.49 0.14 2.90 2.36 -1.26 -2.55 119.74 122.49 2ju8 s LYS 6 Ca 0.13 -0.59 0.11 0.00 -2.55 0.00 0.00 55.97 53.07 2ju8 s LYS 6 Cb 0.04 -3.30 -0.04 0.00 -1.05 0.00 0.00 37.83 33.48 2ju8 s LYS 6 CO -0.04 -0.25 -0.26 0.71 1.55 0.00 0.00 175.35 177.06 2ju8 s TYR 7 N 1.57 2.33 -0.08 4.03 2.02 -0.29 -2.73 117.35 124.21 2ju8 s TYR 7 Ca 0.05 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.42 2ju8 s TYR 7 Cb -0.15 -1.24 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 2ju8 s TYR 7 CO 0.03 0.37 -0.16 -1.14 -1.57 0.00 0.00 175.55 173.08 2ju8 s GLN 8 N -2.15 2.09 0.25 -0.62 2.00 -1.09 -2.00 119.66 118.13 2ju8 s GLN 8 Ca 0.15 -0.55 -0.30 0.00 -2.00 0.00 0.00 55.36 52.67 2ju8 s GLN 8 Cb -0.10 -1.67 -0.09 0.00 0.80 0.00 0.00 33.01 31.95 2ju8 s GLN 8 CO 0.07 0.07 1.30 0.08 -0.50 0.00 0.00 175.29 176.31 2ju8 s VAL 9 N 0.58 3.06 -0.14 1.34 1.01 -0.11 -2.11 120.40 124.02 2ju8 s VAL 9 Ca -0.16 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 2ju8 s VAL 9 Cb -0.16 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 2ju8 s VAL 9 CO 0.05 0.17 -0.14 0.00 0.00 0.00 0.00 175.10 175.18 2ju8 n GLN 10 N 1.98 0.34 -3.56 2.72 6.02 0.03 -4.19 117.38 120.73 2ju8 n GLN 10 Ca 0.04 0.10 -0.10 0.00 -0.01 0.00 0.00 57.00 57.03 2ju8 n GLN 10 Cb 0.42 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 2ju8 n GLN 10 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2ju8 s SER 11 N -5.62 -0.44 -0.09 1.08 0.01 -1.26 -4.96 113.70 102.42 2ju8 s SER 11 Ca -0.20 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 56.84 2ju8 s SER 11 Cb 0.06 0.59 0.04 0.00 0.21 0.00 0.00 66.02 66.92 2ju8 s SER 11 CO 0.31 -1.01 0.21 -1.58 0.41 0.00 0.00 173.24 171.58 2ju8 s GLN 12 N -3.68 0.19 -0.18 12.44 -0.44 -1.26 -3.14 119.66 123.60 2ju8 s GLN 12 Ca 0.05 0.42 -0.16 0.00 -2.50 0.00 0.00 55.36 53.17 2ju8 s GLN 12 Cb -0.02 -0.06 -0.04 0.00 -1.64 0.00 0.00 33.01 31.25 2ju8 s GLN 12 CO -0.07 -0.12 0.39 -1.83 0.50 0.00 0.00 175.29 174.16 2ju8 s GLU 13 N 0.89 4.21 0.00 1.67 -1.05 -1.25 -4.91 118.70 118.26 2ju8 s GLU 13 Ca -0.06 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.98 2ju8 s GLU 13 Cb -0.08 -3.51 0.00 0.00 -0.44 0.00 0.00 34.13 30.10 2ju8 s GLU 13 CO -0.05 0.03 0.00 0.27 0.95 0.00 0.00 175.26 176.45 2ju8 n ASN 14 N 4.24 -0.18 0.00 0.83 6.94 -1.26 -4.32 115.26 121.51 2ju8 n ASN 14 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 2ju8 n ASN 14 Cb 0.51 0.99 0.00 0.00 -2.36 0.00 0.00 39.78 38.92 2ju8 n ASN 14 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2ju8 n PHE 15 N -1.39 -0.83 0.02 -2.53 3.72 -1.26 -4.94 117.46 110.25 2ju8 n PHE 15 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2ju8 n PHE 15 Cb 0.00 0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.63 2ju8 n PHE 15 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2ju8 h GLU 16 N 0.00 0.01 -0.30 -1.08 4.39 -1.99 -1.77 114.58 113.85 2ju8 h GLU 16 Ca 0.00 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2ju8 h GLU 16 Cb 0.00 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ju8 h GLU 16 CO 0.00 0.17 -0.39 -1.35 -1.16 0.00 0.00 179.01 176.28 2ju8 h PRO 17 N -0.15 0.79 0.22 2.33 0.11 -1.99 -1.65 132.00 131.67 2ju8 h PRO 17 Ca 0.00 -0.45 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2ju8 h PRO 17 Cb 0.16 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2ju8 h PRO 17 CO -0.00 1.08 -0.11 0.35 -0.21 0.00 0.00 178.00 179.11 2ju8 h PHE 18 N 0.55 -0.28 -0.56 0.65 3.57 -1.92 -1.93 116.94 117.03 2ju8 h PHE 18 Ca 0.04 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 2ju8 h PHE 18 Cb 0.98 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 2ju8 h PHE 18 CO 0.07 -0.17 0.02 0.52 -2.23 0.00 0.00 178.31 176.53 2ju8 h MET 19 N -0.29 0.94 -0.67 1.11 2.86 -1.38 -2.72 114.93 114.77 2ju8 h MET 19 Ca -0.03 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 2ju8 h MET 19 Cb 0.23 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2ju8 h MET 19 CO 0.05 0.91 0.41 0.87 1.06 0.00 0.00 176.91 180.20 2ju8 h LYS 20 N 0.87 0.76 0.00 1.72 6.56 -1.11 0.42 116.57 125.79 2ju8 h LYS 20 Ca 0.17 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2ju8 h LYS 20 Cb 0.48 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 2ju8 h LYS 20 CO 0.02 0.50 0.00 0.00 -2.06 0.00 0.00 179.45 177.91 2ju8 h ALA 21 N 1.31 1.00 -2.01 3.86 0.00 -1.16 -3.35 119.26 118.91 2ju8 h ALA 21 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2ju8 h ALA 21 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ju8 h ALA 21 CO -0.13 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 179.00 2ju8 n MET 22 N -2.65 0.00 0.00 0.00 0.00 0.19 -5.06 117.12 109.60 2ju8 n MET 22 Ca 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 57.70 57.76 2ju8 n MET 22 Cb 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 33.22 33.14 2ju8 n MET 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ju8 n GLY 23 N 2.22 0.00 3.31 -5.12 0.00 0.13 -5.09 105.19 100.63 2ju8 n GLY 23 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2ju8 n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ju8 s LEU 24 N 0.00 2.32 0.22 0.99 2.96 -1.03 -5.00 118.68 119.14 2ju8 s LEU 24 Ca 0.00 -0.43 -0.30 0.00 -0.22 0.00 0.00 54.13 53.18 2ju8 s LEU 24 Cb 0.00 -1.46 -0.09 0.00 0.50 0.00 0.00 46.19 45.14 2ju8 s LEU 24 CO 0.00 0.22 1.21 -2.16 -1.32 0.00 0.00 176.35 174.30 2ju8 s PRO 25 N -0.00 4.48 0.45 0.98 0.04 -1.26 -4.42 135.00 135.28 2ju8 s PRO 25 Ca -0.07 1.94 0.22 0.00 0.04 0.00 0.00 61.00 63.13 2ju8 s PRO 25 Cb -0.15 -3.20 1.20 0.00 0.04 0.00 0.00 34.50 32.39 2ju8 s PRO 25 CO 0.05 -0.07 1.86 1.05 0.04 0.00 0.00 177.00 179.93 2ju8 h GLU 26 N 4.76 0.27 -0.37 4.56 9.09 -1.98 -1.14 114.58 129.78 2ju8 h GLU 26 Ca -0.45 -0.02 0.05 0.00 0.05 0.00 0.00 59.36 58.99 2ju8 h GLU 26 Cb 1.21 -0.06 -0.04 0.00 -1.65 0.00 0.00 28.75 28.21 2ju8 h GLU 26 CO 0.72 0.18 0.11 0.22 0.05 0.00 0.00 179.01 180.30 2ju8 h ASP 27 N 0.28 0.10 -0.13 3.06 3.58 -2.01 -1.12 116.42 120.18 2ju8 h ASP 27 Ca 0.46 0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.82 2ju8 h ASP 27 Cb 1.34 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2ju8 h ASP 27 CO -0.13 0.09 -0.41 -0.07 -2.88 0.00 0.00 179.24 175.84 2ju8 h LEU 28 N 0.25 0.71 -0.18 2.28 4.07 -1.61 -3.20 115.31 117.62 2ju8 h LEU 28 Ca 0.17 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.82 2ju8 h LEU 28 Cb 0.17 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2ju8 h LEU 28 CO -0.19 1.03 0.08 0.40 -1.08 0.00 0.00 178.44 178.68 2ju8 h ILE 29 N 0.54 0.99 -0.87 1.22 2.04 -0.88 -1.56 117.51 118.99 2ju8 h ILE 29 Ca 0.04 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2ju8 h ILE 29 Cb 0.94 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2ju8 h ILE 29 CO 0.08 0.03 0.54 1.56 0.00 0.00 0.00 178.15 180.37 2ju8 h GLN 30 N 0.19 0.97 -0.08 2.37 1.08 -1.25 0.13 115.11 118.51 2ju8 h GLN 30 Ca 0.07 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 2ju8 h GLN 30 Cb 0.02 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2ju8 h GLN 30 CO -0.06 0.64 -0.41 0.87 -0.95 0.00 0.00 178.83 178.92 2ju8 h LYS 31 N 1.00 0.17 -0.01 1.46 6.56 -1.48 -2.00 116.57 122.27 2ju8 h LYS 31 Ca 0.38 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.87 2ju8 h LYS 31 Cb 0.16 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 2ju8 h LYS 31 CO -0.17 0.56 -0.06 0.78 -2.06 0.00 0.00 179.45 178.50 2ju8 h GLY 32 N 1.23 0.06 1.80 3.86 0.00 -0.22 -3.25 103.07 106.55 2ju8 h GLY 32 Ca 0.01 -0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2ju8 h GLY 32 CO 0.06 0.08 -0.20 0.07 0.00 0.00 0.00 176.54 176.55 2ju8 h LYS 33 N -0.62 0.24 0.00 4.80 2.10 -1.05 -2.03 116.57 120.01 2ju8 h LYS 33 Ca -0.01 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2ju8 h LYS 33 Cb 0.76 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2ju8 h LYS 33 CO 0.01 0.44 0.00 0.22 -2.00 0.00 0.00 179.45 178.12 2ju8 h ASP 34 N 0.22 0.00 -3.32 7.07 1.82 -1.42 -3.40 116.42 117.39 2ju8 h ASP 34 Ca 0.04 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 56.02 2ju8 h ASP 34 Cb 0.48 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.22 2ju8 h ASP 34 CO 0.03 0.00 -0.76 -0.63 -1.61 0.00 0.00 179.24 176.27 2ju8 s ILE 35 N -3.97 3.04 0.11 2.25 1.01 -0.76 -5.08 121.20 117.80 2ju8 s ILE 35 Ca -0.03 -0.65 -0.31 0.00 0.00 0.00 0.00 60.65 59.67 2ju8 s ILE 35 Cb 0.11 -2.30 -0.10 0.00 0.01 0.00 0.00 42.46 40.18 2ju8 s ILE 35 CO 0.45 0.50 1.82 -0.54 0.00 0.00 0.00 174.94 177.18 2ju8 s LYS 36 N 0.66 4.14 0.75 2.79 1.02 -1.26 -4.90 119.74 122.94 2ju8 s LYS 36 Ca -0.06 2.57 -0.11 0.00 0.02 0.00 0.00 55.97 58.39 2ju8 s LYS 36 Cb -0.15 -3.62 0.04 0.00 -0.52 0.00 0.00 37.83 33.58 2ju8 s LYS 36 CO 0.02 -0.84 1.10 0.20 -0.92 0.00 0.00 175.35 174.91 2ju8 s GLY 37 N 2.77 1.78 -0.07 -3.33 0.00 -1.26 -4.82 107.32 102.39 2ju8 s GLY 37 Ca 0.81 0.33 0.05 0.00 0.00 0.00 0.00 44.72 45.90 2ju8 s GLY 37 CO 0.36 0.67 -0.22 0.14 0.00 0.00 0.00 173.10 174.06 2ju8 s VAL 38 N -2.78 1.82 -0.05 1.40 1.01 -1.24 -0.93 120.40 119.62 2ju8 s VAL 38 Ca 0.62 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.69 2ju8 s VAL 38 Cb -0.18 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2ju8 s VAL 38 CO 0.53 0.51 -0.03 -0.94 0.00 0.00 0.00 175.10 175.17 2ju8 s SER 39 N 0.10 0.96 -0.03 3.32 1.04 -0.85 -2.81 113.70 115.43 2ju8 s SER 39 Ca -0.09 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.25 2ju8 s SER 39 Cb -0.15 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.58 2ju8 s SER 39 CO 0.05 -0.09 -0.04 -0.70 0.98 0.00 0.00 173.24 173.44 2ju8 s GLU 40 N 1.11 0.69 -0.13 4.02 2.12 -0.72 -1.14 118.70 124.66 2ju8 s GLU 40 Ca -0.08 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.14 2ju8 s GLU 40 Cb -0.14 -0.71 0.02 0.00 0.26 0.00 0.00 34.13 33.56 2ju8 s GLU 40 CO -0.01 -0.03 -0.14 0.42 -0.54 0.00 0.00 175.26 174.95 2ju8 s ILE 41 N 0.67 1.51 -0.30 -3.70 1.01 -1.06 -1.44 121.20 117.89 2ju8 s ILE 41 Ca -0.08 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 2ju8 s ILE 41 Cb -0.12 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.95 2ju8 s ILE 41 CO -0.00 0.45 0.10 -0.69 0.00 0.00 0.00 174.94 174.80 2ju8 s VAL 42 N 1.29 4.14 -0.27 2.92 1.01 -0.41 -2.42 120.40 126.65 2ju8 s VAL 42 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 2ju8 s VAL 42 Cb -0.14 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2ju8 s VAL 42 CO -0.07 0.05 0.13 -2.28 0.00 0.00 0.00 175.10 172.93 2ju8 s HIS 43 N 1.53 3.15 -0.25 5.22 5.04 -1.26 -1.22 115.29 127.49 2ju8 s HIS 43 Ca 0.03 -0.32 -0.03 0.00 -1.54 0.00 0.00 55.06 53.20 2ju8 s HIS 43 Cb -0.17 -2.31 0.08 0.00 0.04 0.00 0.00 32.58 30.22 2ju8 s HIS 43 CO 0.04 -0.33 0.09 -1.21 -2.34 0.00 0.00 174.74 170.99 2ju8 s GLU 44 N 1.65 0.42 2.93 2.88 2.02 -1.11 -4.90 118.70 122.60 2ju8 s GLU 44 Ca 0.06 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.47 2ju8 s GLU 44 Cb -0.16 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.36 2ju8 s GLU 44 CO 0.06 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.89 2ju8 n GLY 45 N 5.10 0.71 0.00 -1.39 0.00 -1.26 -1.64 105.19 106.71 2ju8 n GLY 45 Ca -0.06 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.46 2ju8 n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ju8 n LYS 46 N 0.00 2.82 -3.12 1.61 4.76 -1.26 -5.00 118.16 117.97 2ju8 n LYS 46 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2ju8 n LYS 46 Cb 0.00 -0.68 -0.07 0.00 -1.84 0.00 0.00 35.03 32.44 2ju8 n LYS 46 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2ju8 s LYS 47 N -1.06 3.53 -0.04 1.97 -0.14 -0.65 -2.68 119.74 120.67 2ju8 s LYS 47 Ca 0.00 -0.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.51 2ju8 s LYS 47 Cb 0.00 -3.86 -0.03 0.00 -1.68 0.00 0.00 37.83 32.26 2ju8 s LYS 47 CO 0.00 -0.83 -0.05 0.54 -0.76 0.00 0.00 175.35 174.25 2ju8 s VAL 48 N 2.74 3.83 -0.17 3.17 0.11 -0.80 -2.73 120.40 126.55 2ju8 s VAL 48 Ca 0.24 -0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 58.73 2ju8 s VAL 48 Cb -0.14 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.08 2ju8 s VAL 48 CO 0.16 0.51 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.76 2ju8 s LYS 49 N -1.11 3.20 -0.20 1.54 1.02 -0.36 -1.30 119.74 122.53 2ju8 s LYS 49 Ca 0.15 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 2ju8 s LYS 49 Cb -0.11 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 2ju8 s LYS 49 CO 0.05 -0.05 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.22 2ju8 s LEU 50 N 0.99 3.06 -0.13 3.17 2.96 -0.55 -1.28 118.68 126.89 2ju8 s LEU 50 Ca -0.02 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2ju8 s LEU 50 Cb -0.15 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.78 2ju8 s LEU 50 CO -0.03 0.04 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.96 2ju8 s THR 51 N 1.11 2.35 -0.08 3.68 2.01 -0.52 -2.06 115.64 122.13 2ju8 s THR 51 Ca 0.02 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2ju8 s THR 51 Cb -0.15 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.43 2ju8 s THR 51 CO 0.00 0.54 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.76 2ju8 s ILE 52 N 0.67 0.93 -0.19 1.82 -1.09 -0.17 -1.75 121.20 121.41 2ju8 s ILE 52 Ca -0.09 -0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 57.95 2ju8 s ILE 52 Cb -0.16 -0.91 -0.04 0.00 -1.58 0.00 0.00 42.46 39.77 2ju8 s ILE 52 CO 0.02 0.33 0.04 -0.89 -1.23 0.00 0.00 174.94 173.21 2ju8 s THR 53 N 1.15 4.51 -0.25 2.92 2.01 -1.12 -0.89 115.64 123.96 2ju8 s THR 53 Ca -0.06 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2ju8 s THR 53 Cb -0.14 -3.03 0.07 0.00 0.01 0.00 0.00 72.50 69.40 2ju8 s THR 53 CO -0.02 0.44 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.00 2ju8 s TYR 54 N 0.60 2.71 -0.91 4.92 2.02 0.27 -3.70 117.35 123.26 2ju8 s TYR 54 Ca 0.02 -2.01 -0.08 0.00 -0.37 0.00 0.00 57.07 54.63 2ju8 s TYR 54 Cb -0.13 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2ju8 s TYR 54 CO 0.02 -0.82 0.69 0.41 -1.57 0.00 0.00 175.55 174.28 2ju8 n GLY 55 N 4.58 -1.18 3.66 0.71 0.00 -1.26 -1.24 105.19 110.47 2ju8 n GLY 55 Ca -0.11 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2ju8 n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ju8 n SER 56 N -2.38 0.00 -4.81 1.61 7.64 -1.26 -4.96 113.62 109.46 2ju8 n SER 56 Ca -0.15 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.36 2ju8 n SER 56 Cb 0.60 -1.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.08 2ju8 n SER 56 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ju8 s LYS 57 N -0.66 3.90 -0.20 1.43 2.20 -0.37 -5.08 119.74 120.96 2ju8 s LYS 57 Ca 0.00 0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.65 2ju8 s LYS 57 Cb 0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2ju8 s LYS 57 CO 0.00 0.55 0.05 0.08 -0.36 0.00 0.00 175.35 175.67 2ju8 s VAL 58 N -0.47 4.50 -0.23 4.02 1.01 -1.26 -0.56 120.40 127.41 2ju8 s VAL 58 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 2ju8 s VAL 58 Cb -0.14 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2ju8 s VAL 58 CO 0.07 0.42 -0.10 -0.63 0.00 0.00 0.00 175.10 174.85 2ju8 s ILE 59 N 0.81 2.60 -0.02 2.22 1.01 -0.06 -5.00 121.20 122.76 2ju8 s ILE 59 Ca 0.03 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 59.71 2ju8 s ILE 59 Cb -0.14 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2ju8 s ILE 59 CO 0.02 0.28 -0.23 -1.38 0.00 0.00 0.00 174.94 173.63 2ju8 s HIS 60 N 1.30 2.44 -0.28 3.97 -3.43 -1.26 -1.00 115.29 117.02 2ju8 s HIS 60 Ca 0.01 -0.35 -0.09 0.00 -0.80 0.00 0.00 55.06 53.82 2ju8 s HIS 60 Cb -0.16 -1.53 0.13 0.00 -1.43 0.00 0.00 32.58 29.59 2ju8 s HIS 60 CO -0.07 0.04 0.61 -0.80 -2.00 0.00 0.00 174.74 172.52 2ju8 s ASN 61 N -0.69 -1.00 -0.08 7.38 0.01 -0.87 -5.01 114.94 114.67 2ju8 s ASN 61 Ca 0.11 1.43 -0.02 0.00 -0.71 0.00 0.00 52.86 53.66 2ju8 s ASN 61 Cb -0.10 2.13 -0.03 0.00 0.41 0.00 0.00 41.25 43.66 2ju8 s ASN 61 CO -0.00 -0.23 0.02 -1.83 -1.51 0.00 0.00 177.10 173.55 2ju8 s GLU 62 N 2.85 3.02 0.01 -0.60 -1.05 -1.26 -1.48 118.70 120.19 2ju8 s GLU 62 Ca -0.04 -0.39 -0.13 0.00 -0.15 0.00 0.00 54.97 54.26 2ju8 s GLU 62 Cb -0.12 -2.83 0.02 0.00 -0.44 0.00 0.00 34.13 30.75 2ju8 s GLU 62 CO -0.18 0.70 0.28 -0.59 0.95 0.00 0.00 175.26 176.42 2ju8 s PHE 63 N -0.93 -0.10 -0.15 4.83 -0.71 -0.42 -4.92 117.98 115.58 2ju8 s PHE 63 Ca 0.14 0.05 -0.13 0.00 -1.04 0.00 0.00 56.93 55.96 2ju8 s PHE 63 Cb -0.11 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 2ju8 s PHE 63 CO 0.04 -0.42 0.27 0.99 -1.34 0.00 0.00 175.22 174.75 2ju8 s THR 64 N -1.92 5.31 0.21 -4.49 2.01 -1.26 -1.91 115.64 113.59 2ju8 s THR 64 Ca -0.10 0.51 -0.32 0.00 0.31 0.00 0.00 61.69 62.09 2ju8 s THR 64 Cb -0.03 -3.61 -0.14 0.00 0.01 0.00 0.00 72.50 68.73 2ju8 s THR 64 CO 0.00 0.42 1.35 0.18 -0.69 0.00 0.00 174.62 175.89 2ju8 n LEU 65 N 3.37 2.64 -3.20 4.42 4.77 -1.09 -2.09 117.00 125.82 2ju8 n LEU 65 Ca -0.13 1.14 -0.19 0.00 -0.03 0.00 0.00 56.01 56.80 2ju8 n LEU 65 Cb 0.52 -1.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.32 2ju8 n LEU 65 CO 0.39 -0.71 0.17 0.61 -1.33 0.00 0.00 177.39 176.52 2ju8 n GLY 66 N 2.23 -0.33 3.34 -0.72 0.00 -0.87 -5.01 105.19 103.82 2ju8 n GLY 66 Ca 0.13 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 2ju8 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju8 s GLU 67 N -5.77 0.78 -0.26 1.61 2.12 -0.89 -5.04 118.70 111.24 2ju8 s GLU 67 Ca 0.31 0.03 -0.28 0.00 0.36 0.00 0.00 54.97 55.40 2ju8 s GLU 67 Cb -0.14 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.62 2ju8 s GLU 67 CO 0.65 -0.22 0.99 -2.00 -0.54 0.00 0.00 175.26 174.14 2ju8 s GLU 68 N -1.12 4.18 0.25 4.30 2.12 -1.26 -3.76 118.70 123.42 2ju8 s GLU 68 Ca -0.11 1.17 0.12 0.00 0.36 0.00 0.00 54.97 56.51 2ju8 s GLU 68 Cb -0.03 -3.67 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 2ju8 s GLU 68 CO 0.06 -0.67 -0.21 0.00 -0.54 0.00 0.00 175.26 173.90 2ju8 s GLU 70 N -3.27 3.94 0.07 0.00 2.12 -1.26 -1.12 118.70 119.19 2ju8 s GLU 70 Ca 0.27 0.02 0.10 0.00 0.36 0.00 0.00 54.97 55.72 2ju8 s GLU 70 Cb -0.06 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2ju8 s GLU 70 CO 0.14 -0.35 -0.27 -0.51 -0.54 0.00 0.00 175.26 173.74 2ju8 s LEU 71 N 2.13 2.21 0.29 2.70 2.01 -0.10 -4.94 118.68 122.97 2ju8 s LEU 71 Ca 0.16 -0.63 -0.17 0.00 0.01 0.00 0.00 54.13 53.49 2ju8 s LEU 71 Cb -0.16 -1.27 -0.09 0.00 0.01 0.00 0.00 46.19 44.69 2ju8 s LEU 71 CO 0.10 0.24 0.74 -1.83 1.01 0.00 0.00 176.35 176.61 2ju8 s GLU 72 N -1.47 4.10 0.65 1.70 -1.05 -1.26 -1.34 118.70 120.04 2ju8 s GLU 72 Ca 0.12 0.76 0.04 0.00 -0.15 0.00 0.00 54.97 55.74 2ju8 s GLU 72 Cb -0.10 -2.58 0.11 0.00 -0.44 0.00 0.00 34.13 31.11 2ju8 s GLU 72 CO 0.03 0.23 0.90 0.95 0.95 0.00 0.00 175.26 178.33 2ju8 s THR 73 N -1.82 2.16 -0.62 1.83 -4.23 0.19 -4.92 115.64 108.22 2ju8 s THR 73 Ca 0.50 -0.77 0.17 0.00 -1.18 0.00 0.00 61.69 60.41 2ju8 s THR 73 Cb -0.13 -2.38 0.17 0.00 1.34 0.00 0.00 72.50 71.50 2ju8 s THR 73 CO 0.19 0.00 1.52 0.23 -0.54 0.00 0.00 174.62 176.02 2ju8 n MET 74 N -2.57 0.10 0.00 3.99 0.00 -1.26 -1.17 117.12 116.22 2ju8 n MET 74 Ca 0.15 0.45 0.10 0.00 0.00 0.00 0.00 57.70 58.40 2ju8 n MET 74 Cb 0.61 -1.74 0.05 0.00 0.00 0.00 0.00 33.22 32.14 2ju8 n MET 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2ju8 n THR 75 N -1.95 0.00 -0.59 2.03 -2.24 -1.26 -4.95 114.28 105.32 2ju8 n THR 75 Ca 0.01 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2ju8 n THR 75 Cb 0.13 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2ju8 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ju8 n GLY 76 N 1.17 0.77 3.74 3.38 0.00 -0.31 -5.04 105.19 108.89 2ju8 n GLY 76 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2ju8 n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ju8 s GLU 77 N -0.41 4.71 -0.16 1.61 2.12 -1.26 -4.65 118.70 120.66 2ju8 s GLU 77 Ca 0.00 1.52 -0.24 0.00 0.36 0.00 0.00 54.97 56.61 2ju8 s GLU 77 Cb 0.00 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2ju8 s GLU 77 CO 0.00 0.25 0.78 0.15 -0.54 0.00 0.00 175.26 175.90 2ju8 s LYS 78 N -0.35 4.30 0.23 4.30 -0.14 -1.26 -0.64 119.74 126.18 2ju8 s LYS 78 Ca 0.46 0.94 0.04 0.00 -1.36 0.00 0.00 55.97 56.05 2ju8 s LYS 78 Cb -0.25 -3.56 -0.05 0.00 -1.68 0.00 0.00 37.83 32.29 2ju8 s LYS 78 CO 0.32 -0.26 -0.03 0.14 -0.76 0.00 0.00 175.35 174.75 2ju8 s VAL 79 N 1.92 1.22 -0.15 3.17 -7.23 -0.45 -4.98 120.40 113.90 2ju8 s VAL 79 Ca 0.37 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2ju8 s VAL 79 Cb -0.17 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2ju8 s VAL 79 CO 0.13 -0.38 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.00 2ju8 s LYS 80 N -3.81 3.64 -0.08 4.82 1.02 -1.26 -0.93 119.74 123.14 2ju8 s LYS 80 Ca 0.27 -0.44 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 2ju8 s LYS 80 Cb 0.05 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2ju8 s LYS 80 CO 0.08 0.34 0.24 0.00 -0.92 0.00 0.00 175.35 175.10 2ju8 s ALA 81 N 0.12 -0.60 -0.26 5.17 0.00 -0.27 -4.04 121.76 121.89 2ju8 s ALA 81 Ca 0.01 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 2ju8 s ALA 81 Cb -0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2ju8 s ALA 81 CO 0.02 -0.14 0.11 0.08 0.00 0.00 0.00 175.76 175.83 2ju8 s VAL 82 N -0.17 4.68 -0.32 0.00 1.01 -1.14 -1.20 120.40 123.26 2ju8 s VAL 82 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 2ju8 s VAL 82 Cb -0.03 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 2ju8 s VAL 82 CO 0.01 0.31 0.22 -0.69 0.00 0.00 0.00 175.10 174.94 2ju8 s VAL 83 N 1.65 5.26 0.10 2.92 1.01 -1.25 -2.93 120.40 127.16 2ju8 s VAL 83 Ca 0.07 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.03 2ju8 s VAL 83 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2ju8 s VAL 83 CO 0.06 0.09 -0.18 -0.75 0.00 0.00 0.00 175.10 174.33 2ju8 s LYS 84 N 1.73 1.04 -0.22 2.72 2.20 0.10 -2.05 119.74 125.26 2ju8 s LYS 84 Ca 0.06 -1.14 -0.04 0.00 -0.36 0.00 0.00 55.97 54.49 2ju8 s LYS 84 Cb -0.17 -1.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.98 2ju8 s LYS 84 CO 0.10 0.26 -0.02 -1.64 -0.36 0.00 0.00 175.35 173.69 2ju8 s MET 85 N -2.07 3.45 0.04 4.03 -1.94 -1.26 -0.22 119.30 121.32 2ju8 s MET 85 Ca 0.05 -0.59 0.19 0.00 -1.71 0.00 0.00 55.69 53.63 2ju8 s MET 85 Cb -0.09 -3.06 0.78 0.00 2.01 0.00 0.00 34.83 34.48 2ju8 s MET 85 CO 0.04 -0.16 1.59 -1.91 -0.01 0.00 0.00 175.02 174.56 2ju8 n GLU 86 N 4.73 0.04 0.00 2.03 4.07 -0.08 -4.83 120.64 126.59 2ju8 n GLU 86 Ca -0.18 0.23 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2ju8 n GLU 86 Cb 0.51 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 2ju8 n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ju8 n GLY 87 N 0.30 0.46 3.70 8.31 0.00 -0.29 -4.90 105.19 112.77 2ju8 n GLY 87 Ca 0.04 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 2ju8 n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ju8 s ASP 88 N -4.00 6.24 0.00 1.61 1.11 -1.26 -4.24 116.67 116.14 2ju8 s ASP 88 Ca 0.00 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.00 2ju8 s ASP 88 Cb 0.00 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.86 2ju8 s ASP 88 CO 0.00 0.09 0.00 -3.20 1.18 0.00 0.00 175.17 173.24 2ju8 n ASN 89 N 3.94 0.00 -3.94 0.27 4.05 -0.48 -4.89 115.26 114.22 2ju8 n ASN 89 Ca -0.14 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.67 2ju8 n ASN 89 Cb 0.52 -0.49 -0.16 0.00 1.23 0.00 0.00 39.78 40.87 2ju8 n ASN 89 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2ju8 s LYS 90 N 0.00 1.17 -0.02 1.20 3.01 -1.26 -2.78 119.74 121.06 2ju8 s LYS 90 Ca 0.00 -0.22 -0.01 0.00 -1.01 0.00 0.00 55.97 54.73 2ju8 s LYS 90 Cb 0.00 -1.09 0.02 0.00 -1.01 0.00 0.00 37.83 35.74 2ju8 s LYS 90 CO 0.00 -0.06 0.05 -1.64 0.51 0.00 0.00 175.35 174.21 2ju8 s MET 91 N 0.92 0.03 -0.24 1.68 -1.94 -0.26 -0.91 119.30 118.58 2ju8 s MET 91 Ca -0.11 0.14 -0.04 0.00 -1.71 0.00 0.00 55.69 53.98 2ju8 s MET 91 Cb -0.15 -0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.61 2ju8 s MET 91 CO 0.01 -0.08 -0.03 0.08 -0.01 0.00 0.00 175.02 174.99 2ju8 s VAL 92 N 0.51 3.30 -0.05 -6.03 1.01 0.69 -2.33 120.40 117.51 2ju8 s VAL 92 Ca -0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 2ju8 s VAL 92 Cb -0.06 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2ju8 s VAL 92 CO -0.02 0.31 -0.02 0.28 0.00 0.00 0.00 175.10 175.66 2ju8 s THR 93 N 1.44 0.42 -0.02 3.92 -1.32 -0.95 -0.73 115.64 118.40 2ju8 s THR 93 Ca 0.04 0.01 0.05 0.00 -1.21 0.00 0.00 61.69 60.58 2ju8 s THR 93 Cb -0.15 -0.51 -0.01 0.00 -1.51 0.00 0.00 72.50 70.31 2ju8 s THR 93 CO -0.03 0.23 -0.18 0.42 -2.21 0.00 0.00 174.62 172.85 2ju8 s THR 94 N 1.39 1.39 -0.02 5.08 -4.23 -1.15 -2.40 115.64 115.71 2ju8 s THR 94 Ca -0.04 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 2ju8 s THR 94 Cb -0.13 -1.16 0.02 0.00 1.34 0.00 0.00 72.50 72.56 2ju8 s THR 94 CO -0.03 0.40 0.00 0.72 -0.54 0.00 0.00 174.62 175.17 2ju8 s PHE 95 N -0.35 0.18 0.00 3.99 -0.71 -1.20 -2.87 117.98 117.02 2ju8 s PHE 95 Ca 0.05 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 2ju8 s PHE 95 Cb -0.07 -0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.49 2ju8 s PHE 95 CO -0.00 -0.07 0.00 1.63 -1.34 0.00 0.00 175.22 175.43 2ju8 n LYS 96 N 3.76 0.00 0.00 1.99 5.02 -1.26 -1.34 118.16 126.33 2ju8 n LYS 96 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 2ju8 n LYS 96 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2ju8 n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ju8 n GLY 97 N 0.00 0.25 3.82 0.72 0.00 -1.26 -5.10 105.19 103.61 2ju8 n GLY 97 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2ju8 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ju8 s ILE 98 N 0.00 4.87 -0.27 -0.61 1.09 -0.45 -5.02 121.20 120.81 2ju8 s ILE 98 Ca 0.00 1.06 -0.15 0.00 -1.10 0.00 0.00 60.65 60.46 2ju8 s ILE 98 Cb 0.00 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 2ju8 s ILE 98 CO 0.00 0.55 0.39 -0.75 -0.10 0.00 0.00 174.94 175.03 2ju8 s LYS 99 N -1.02 4.02 -0.16 2.79 2.36 -1.23 -3.25 119.74 123.25 2ju8 s LYS 99 Ca 0.27 0.07 0.01 0.00 -2.55 0.00 0.00 55.97 53.77 2ju8 s LYS 99 Cb -0.18 -3.65 0.02 0.00 -1.05 0.00 0.00 37.83 32.96 2ju8 s LYS 99 CO 0.17 -0.28 -0.18 0.45 1.55 0.00 0.00 175.35 177.05 2ju8 s SER 100 N 1.62 2.97 -0.16 1.43 0.15 -1.01 -2.72 113.70 115.98 2ju8 s SER 100 Ca 0.16 -0.59 0.02 0.00 0.70 0.00 0.00 55.95 56.24 2ju8 s SER 100 Cb -0.16 -1.37 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2ju8 s SER 100 CO 0.10 -0.01 -0.21 -0.69 1.20 0.00 0.00 173.24 173.64 2ju8 s VAL 101 N 1.27 2.02 -0.17 4.45 1.01 -0.40 -2.24 120.40 126.33 2ju8 s VAL 101 Ca 0.03 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 2ju8 s VAL 101 Cb -0.13 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2ju8 s VAL 101 CO -0.10 0.54 -0.07 -0.89 0.00 0.00 0.00 175.10 174.57 2ju8 s THR 102 N 1.04 3.35 -0.18 3.92 2.01 -0.98 -0.26 115.64 124.53 2ju8 s THR 102 Ca -0.02 -0.53 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 2ju8 s THR 102 Cb -0.14 -2.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 2ju8 s THR 102 CO -0.07 0.47 0.29 -1.61 -0.69 0.00 0.00 174.62 173.02 2ju8 s GLU 103 N 0.85 4.21 -0.27 4.92 2.02 -0.38 -1.10 118.70 128.95 2ju8 s GLU 103 Ca -0.02 0.05 -0.06 0.00 0.02 0.00 0.00 54.97 54.96 2ju8 s GLU 103 Cb -0.15 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.62 2ju8 s GLU 103 CO 0.01 0.16 0.05 0.12 0.02 0.00 0.00 175.26 175.61 2ju8 s PHE 104 N 0.73 3.10 0.14 1.61 5.36 -1.12 -2.82 117.98 124.98 2ju8 s PHE 104 Ca 0.15 -0.94 0.08 0.00 -0.96 0.00 0.00 56.93 55.27 2ju8 s PHE 104 Cb -0.13 -2.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 2ju8 s PHE 104 CO 0.04 -0.55 -0.19 -0.80 -1.46 0.00 0.00 175.22 172.26 2ju8 s ASN 105 N 1.50 2.60 -0.01 6.13 0.02 -1.23 -1.38 114.94 122.57 2ju8 s ASN 105 Ca 0.03 -0.80 -0.02 0.00 -1.02 0.00 0.00 52.86 51.05 2ju8 s ASN 105 Cb -0.16 -0.15 -0.09 0.00 0.02 0.00 0.00 41.25 40.87 2ju8 s ASN 105 CO 0.01 -0.01 2.61 0.61 0.02 0.00 0.00 177.10 180.34 2ju8 n GLY 106 N 0.57 2.74 0.09 0.66 0.00 -1.26 -3.70 105.19 104.29 2ju8 n GLY 106 Ca -0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2ju8 n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju8 n ASP 107 N 1.84 0.00 -3.71 1.61 -0.08 -1.26 -5.06 116.55 109.88 2ju8 n ASP 107 Ca 0.17 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.28 2ju8 n ASP 107 Cb 0.66 0.02 -0.16 0.00 2.34 0.00 0.00 41.12 43.97 2ju8 n ASP 107 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2ju8 s THR 108 N -1.12 -0.11 -0.24 5.18 2.01 -1.24 -2.05 115.64 118.07 2ju8 s THR 108 Ca 0.00 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.25 2ju8 s THR 108 Cb 0.00 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 2ju8 s THR 108 CO 0.00 0.13 0.05 -0.63 -0.69 0.00 0.00 174.62 173.49 2ju8 s ILE 109 N 1.69 4.25 -0.05 1.82 1.09 -0.86 -3.53 121.20 125.61 2ju8 s ILE 109 Ca -0.02 -0.20 0.04 0.00 -1.10 0.00 0.00 60.65 59.38 2ju8 s ILE 109 Cb -0.12 -2.97 -0.02 0.00 -1.06 0.00 0.00 42.46 38.28 2ju8 s ILE 109 CO -0.04 0.36 -0.16 -0.89 -0.10 0.00 0.00 174.94 174.11 2ju8 s THR 110 N 1.44 2.89 -0.03 2.92 2.01 -1.13 -2.93 115.64 120.81 2ju8 s THR 110 Ca 0.05 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2ju8 s THR 110 Cb -0.15 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 2ju8 s THR 110 CO 0.03 0.59 -0.12 0.21 -0.69 0.00 0.00 174.62 174.64 2ju8 s ASN 111 N -0.67 4.25 -0.19 3.53 2.47 -1.14 -1.25 114.94 121.94 2ju8 s ASN 111 Ca 0.10 -0.18 0.01 0.00 0.42 0.00 0.00 52.86 53.21 2ju8 s ASN 111 Cb -0.11 -0.93 0.02 0.00 -1.45 0.00 0.00 41.25 38.79 2ju8 s ASN 111 CO 0.00 0.32 -0.17 -0.89 -3.72 0.00 0.00 177.10 172.64 2ju8 s THR 112 N -0.83 2.18 -0.14 -5.21 2.01 0.64 -2.84 115.64 111.45 2ju8 s THR 112 Ca 0.13 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.14 2ju8 s THR 112 Cb -0.11 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.45 2ju8 s THR 112 CO 0.03 0.45 -0.15 -0.04 -0.69 0.00 0.00 174.62 174.22 2ju8 s MET 113 N 1.28 2.34 -0.12 4.92 -1.94 -0.62 -1.28 119.30 123.88 2ju8 s MET 113 Ca 0.03 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.44 2ju8 s MET 113 Cb -0.14 -2.09 0.02 0.00 2.01 0.00 0.00 34.83 34.63 2ju8 s MET 113 CO -0.11 -0.19 -0.12 0.99 -0.01 0.00 0.00 175.02 175.57 2ju8 s THR 114 N 1.35 1.35 -0.17 2.05 2.01 -1.10 -1.21 115.64 119.92 2ju8 s THR 114 Ca 0.02 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 2ju8 s THR 114 Cb -0.13 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 71.14 2ju8 s THR 114 CO -0.09 0.42 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.99 2ju8 s LEU 115 N 1.35 1.68 0.00 4.42 0.20 -1.11 -3.55 118.68 121.67 2ju8 s LEU 115 Ca 0.00 -0.69 0.00 0.00 0.69 0.00 0.00 54.13 54.13 2ju8 s LEU 115 Cb -0.14 -0.94 0.00 0.00 -0.43 0.00 0.00 46.19 44.68 2ju8 s LEU 115 CO -0.06 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.42 2ju8 n GLY 116 N 4.86 1.49 0.28 7.98 0.00 -1.26 -2.21 105.19 116.33 2ju8 n GLY 116 Ca -0.12 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2ju8 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ju8 n ASP 117 N 3.06 0.00 -4.70 1.61 5.75 -1.26 -5.13 116.55 115.89 2ju8 n ASP 117 Ca 0.00 -0.79 -0.35 0.00 -0.01 0.00 0.00 54.79 53.63 2ju8 n ASP 117 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 2ju8 n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2ju8 s ILE 118 N 0.00 4.58 -0.12 2.12 1.01 -0.94 -5.10 121.20 122.75 2ju8 s ILE 118 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 2ju8 s ILE 118 Cb 0.00 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 2ju8 s ILE 118 CO 0.00 0.58 0.04 0.54 0.00 0.00 0.00 174.94 176.10 2ju8 s VAL 119 N -0.61 4.66 -0.10 2.92 0.11 -1.26 -2.75 120.40 123.37 2ju8 s VAL 119 Ca 0.11 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2ju8 s VAL 119 Cb -0.12 -3.01 0.03 0.00 -1.53 0.00 0.00 36.38 31.75 2ju8 s VAL 119 CO 0.02 0.57 -0.05 -0.47 -3.33 0.00 0.00 175.10 171.84 2ju8 s TYR 120 N -0.59 1.26 -0.07 1.54 6.14 -0.35 -4.74 117.35 120.54 2ju8 s TYR 120 Ca 0.11 -0.59 0.02 0.00 0.64 0.00 0.00 57.07 57.25 2ju8 s TYR 120 Cb -0.12 -1.12 0.01 0.00 0.42 0.00 0.00 41.96 41.16 2ju8 s TYR 120 CO 0.02 -0.47 -0.13 0.15 0.64 0.00 0.00 175.55 175.76 2ju8 s LYS 121 N 1.78 1.87 -0.20 4.97 1.02 -1.26 -1.59 119.74 126.33 2ju8 s LYS 121 Ca 0.05 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 2ju8 s LYS 121 Cb -0.12 -1.53 -0.01 0.00 -0.52 0.00 0.00 37.83 35.64 2ju8 s LYS 121 CO -0.07 0.03 -0.06 0.50 -0.92 0.00 0.00 175.35 174.82 2ju8 s ARG 122 N 0.69 3.38 -0.26 1.68 3.52 -1.13 -3.81 118.95 123.03 2ju8 s ARG 122 Ca -0.14 -0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 54.74 2ju8 s ARG 122 Cb -0.16 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.26 2ju8 s ARG 122 CO 0.04 -0.11 0.12 0.08 -0.81 0.00 0.00 175.30 174.61 2ju8 s VAL 123 N 1.23 4.75 -0.04 7.11 1.01 -1.19 -2.88 120.40 130.40 2ju8 s VAL 123 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2ju8 s VAL 123 Cb -0.14 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.01 2ju8 s VAL 123 CO -0.02 0.31 -0.09 -0.94 0.00 0.00 0.00 175.10 174.37 2ju8 s SER 124 N 1.58 1.28 -0.14 3.32 1.04 -1.15 -0.79 113.70 118.84 2ju8 s SER 124 Ca 0.06 -0.20 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 2ju8 s SER 124 Cb -0.15 -0.48 -0.03 0.00 0.10 0.00 0.00 66.02 65.45 2ju8 s SER 124 CO 0.06 0.03 0.01 -1.59 0.98 0.00 0.00 173.24 172.73 2ju8 s LYS 125 N 0.50 3.58 0.39 4.02 0.00 -0.90 -2.03 119.74 125.30 2ju8 s LYS 125 Ca -0.08 -0.41 -0.25 0.00 0.00 0.00 0.00 55.97 55.22 2ju8 s LYS 125 Cb -0.12 -2.99 -0.09 0.00 0.00 0.00 0.00 37.83 34.63 2ju8 s LYS 125 CO 0.01 0.40 1.16 0.50 0.00 0.00 0.00 175.35 177.42 2ju8 s ARG 126 N -0.04 4.12 0.00 1.78 3.52 -0.87 -2.68 118.95 124.77 2ju8 s ARG 126 Ca 0.04 1.81 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 2ju8 s ARG 126 Cb -0.13 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 2ju8 s ARG 126 CO 0.02 -0.26 0.15 0.44 -0.81 0.00 0.00 175.30 174.84