#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 6.06 0.00 3.17 2.20 -1.26 -4.91 114.94 120.20 2ju8 s ASN 2 Ca 0.00 0.21 0.00 0.00 -0.94 0.00 0.00 52.86 52.13 2ju8 s ASN 2 Cb 0.00 -2.05 0.00 0.00 -2.00 0.00 0.00 41.25 37.20 2ju8 s ASN 2 CO 0.00 0.20 0.00 0.49 -2.94 0.00 0.00 177.10 174.85 2ju8 n PHE 3 N 3.39 0.00 -2.87 1.54 3.72 -1.26 -4.95 117.46 117.02 2ju8 n PHE 3 Ca -0.16 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.84 2ju8 n PHE 3 Cb 0.52 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 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 -2.45 7.48 0.00 4.37 1.04 -1.26 -4.76 113.70 118.12 2ju8 s SER 4 Ca 0.00 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2ju8 s SER 4 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2ju8 s SER 4 CO 0.00 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2ju8 n GLY 5 N 1.70 3.04 3.58 7.32 0.00 -1.14 -5.03 105.19 114.67 2ju8 n GLY 5 Ca -0.03 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2ju8 n GLY 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ju8 s LYS 6 N -2.00 3.86 -0.05 1.61 2.20 -1.26 -2.40 119.74 121.69 2ju8 s LYS 6 Ca 0.00 -0.41 -0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2ju8 s LYS 6 Cb 0.00 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.24 2ju8 s LYS 6 CO 0.00 0.25 -0.02 0.71 -0.36 0.00 0.00 175.35 175.94 2ju8 s TYR 7 N 0.39 0.63 -0.10 4.03 2.02 -0.06 -1.63 117.35 122.63 2ju8 s TYR 7 Ca 0.00 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.50 2ju8 s TYR 7 Cb -0.13 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 2ju8 s TYR 7 CO 0.01 -0.24 0.10 1.14 -1.57 0.00 0.00 175.55 174.99 2ju8 s GLN 8 N 1.42 3.30 0.42 -0.62 0.00 -1.11 -0.33 119.66 122.73 2ju8 s GLN 8 Ca -0.04 -0.23 -0.25 0.00 -0.00 0.00 0.00 55.36 54.85 2ju8 s GLN 8 Cb -0.13 -3.06 -0.08 0.00 0.00 0.00 0.00 33.01 29.73 2ju8 s GLN 8 CO -0.03 0.75 1.22 0.08 0.00 0.00 0.00 175.29 177.32 2ju8 s VAL 9 N -1.01 2.91 -0.01 3.63 1.01 0.11 -2.59 120.40 124.46 2ju8 s VAL 9 Ca 0.15 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 2ju8 s VAL 9 Cb -0.12 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2ju8 s VAL 9 CO 0.05 0.07 -0.07 0.00 0.00 0.00 0.00 175.10 175.15 2ju8 n GLN 10 N -0.02 0.11 -4.01 2.72 1.13 0.26 -1.79 117.38 115.78 2ju8 n GLN 10 Ca 0.05 0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 55.06 2ju8 n GLN 10 Cb 0.46 -0.70 -0.06 0.00 0.11 0.00 0.00 30.24 30.05 2ju8 n GLN 10 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2ju8 s SER 11 N -5.75 -0.03 -0.02 1.08 0.15 -1.25 -4.80 113.70 103.07 2ju8 s SER 11 Ca -0.07 -0.98 -0.01 0.00 0.70 0.00 0.00 55.95 55.59 2ju8 s SER 11 Cb 0.02 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2ju8 s SER 11 CO 0.09 -1.03 0.05 -1.58 1.20 0.00 0.00 173.24 171.98 2ju8 s GLN 12 N -4.03 0.04 -0.09 5.44 2.00 -1.26 -3.23 119.66 118.54 2ju8 s GLN 12 Ca 0.24 0.11 -0.04 0.00 -2.00 0.00 0.00 55.36 53.67 2ju8 s GLN 12 Cb 0.02 -0.04 -0.04 0.00 0.80 0.00 0.00 33.01 33.75 2ju8 s GLN 12 CO 0.07 -0.05 0.07 -1.83 -0.50 0.00 0.00 175.29 173.05 2ju8 s GLU 13 N 0.31 3.17 -0.47 1.67 -1.05 -1.23 -4.72 118.70 116.38 2ju8 s GLU 13 Ca -0.02 -0.31 -0.18 0.00 -0.15 0.00 0.00 54.97 54.31 2ju8 s GLU 13 Cb -0.03 -2.96 0.02 0.00 -0.44 0.00 0.00 34.13 30.72 2ju8 s GLU 13 CO -0.01 0.73 0.62 0.09 0.95 0.00 0.00 175.26 177.64 2ju8 n ASN 14 N 1.96 -7.48 -0.07 0.83 5.03 -1.26 -4.08 115.26 110.19 2ju8 n ASN 14 Ca -0.18 0.34 -0.09 0.00 0.87 0.00 0.00 54.58 55.51 2ju8 n ASN 14 Cb 0.54 -4.70 -0.06 0.00 -1.02 0.00 0.00 39.78 34.53 2ju8 n ASN 14 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2ju8 n PHE 15 N -0.47 0.00 -0.21 3.10 -0.00 -1.26 -4.32 117.46 114.31 2ju8 n PHE 15 Ca 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.53 2ju8 n PHE 15 Cb 0.51 -0.52 0.12 0.00 -0.00 0.00 0.00 39.48 39.58 2ju8 n PHE 15 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2ju8 h GLU 16 N 0.00 0.23 -0.11 -4.13 5.08 -1.98 0.32 114.58 114.00 2ju8 h GLU 16 Ca -0.30 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 57.89 2ju8 h GLU 16 Cb 1.49 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2ju8 h GLU 16 CO -0.04 0.15 -0.60 -1.00 -1.00 0.00 0.00 179.01 176.53 2ju8 h PRO 17 N 0.24 0.36 0.20 2.33 0.13 -2.00 -3.02 132.00 130.24 2ju8 h PRO 17 Ca 0.33 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2ju8 h PRO 17 Cb 0.51 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2ju8 h PRO 17 CO -0.43 0.85 -0.10 0.35 -0.23 0.00 0.00 178.00 178.44 2ju8 h PHE 18 N 0.27 -0.25 -0.75 1.56 3.57 -1.41 -1.74 116.94 118.19 2ju8 h PHE 18 Ca -0.00 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2ju8 h PHE 18 Cb 1.12 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 2ju8 h PHE 18 CO 0.03 -0.13 0.49 0.00 -2.23 0.00 0.00 178.31 176.48 2ju8 h MET 19 N -0.30 0.90 -0.44 1.11 -0.00 -1.04 -0.58 114.93 114.57 2ju8 h MET 19 Ca -0.03 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.70 59.58 2ju8 h MET 19 Cb 0.23 -0.20 -0.02 0.00 -0.00 0.00 0.00 31.60 31.61 2ju8 h MET 19 CO 0.05 0.59 0.12 0.87 -0.00 0.00 0.00 176.91 178.54 2ju8 h LYS 20 N 0.92 0.69 0.01 -0.10 1.57 -1.35 0.77 116.57 119.08 2ju8 h LYS 20 Ca 0.30 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2ju8 h LYS 20 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2ju8 h LYS 20 CO -0.08 0.69 -0.00 0.00 -0.57 0.00 0.00 179.45 179.48 2ju8 h ALA 21 N 0.98 -0.43 -0.57 3.86 0.00 -0.81 -3.29 119.26 119.00 2ju8 h ALA 21 Ca 0.14 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.21 2ju8 h ALA 21 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ju8 h ALA 21 CO -0.00 -0.43 0.61 1.98 0.00 0.00 0.00 179.25 181.41 2ju8 h MET 22 N -0.02 0.00 0.00 0.00 1.85 -1.25 -3.44 114.93 112.07 2ju8 h MET 22 Ca -0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2ju8 h MET 22 Cb 0.01 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.04 2ju8 h MET 22 CO 0.00 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 176.92 2ju8 n GLY 23 N -1.55 0.94 3.77 1.39 0.00 -0.33 -5.07 105.19 104.34 2ju8 n GLY 23 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 4.39 0.06 0.99 2.96 0.25 -4.94 118.68 122.39 2ju8 s LEU 24 Ca 0.00 2.14 -0.30 0.00 -0.22 0.00 0.00 54.13 55.75 2ju8 s LEU 24 Cb 0.00 -3.86 -0.05 0.00 0.50 0.00 0.00 46.19 42.78 2ju8 s LEU 24 CO 0.00 -0.26 1.03 -2.16 -1.32 0.00 0.00 176.35 173.64 2ju8 s PRO 25 N -1.87 4.58 0.56 0.98 0.04 -1.26 -3.94 135.00 134.09 2ju8 s PRO 25 Ca 0.50 1.53 0.27 0.00 0.04 0.00 0.00 61.00 63.33 2ju8 s PRO 25 Cb -0.27 -3.39 1.47 0.00 0.04 0.00 0.00 34.50 32.35 2ju8 s PRO 25 CO 0.34 0.01 1.99 1.05 0.04 0.00 0.00 177.00 180.43 2ju8 h GLU 26 N 6.24 0.00 -0.36 4.56 4.11 -1.94 -1.04 114.58 126.15 2ju8 h GLU 26 Ca -0.42 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.04 2ju8 h GLU 26 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2ju8 h GLU 26 CO 0.75 0.00 0.17 -0.44 0.07 0.00 0.00 179.01 179.56 2ju8 h ASP 27 N 0.00 0.24 -0.41 3.06 5.19 -2.01 -1.38 116.42 121.11 2ju8 h ASP 27 Ca 0.22 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.61 2ju8 h ASP 27 Cb 0.99 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.45 2ju8 h ASP 27 CO -0.00 0.18 0.12 -0.07 -3.12 0.00 0.00 179.24 176.35 2ju8 h LEU 28 N 0.35 0.66 -0.27 1.55 -0.00 -1.59 -2.72 115.31 113.28 2ju8 h LEU 28 Ca 0.15 -0.10 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 2ju8 h LEU 28 Cb 0.08 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.53 2ju8 h LEU 28 CO -0.12 0.65 0.08 0.40 -0.00 0.00 0.00 178.44 179.45 2ju8 h ILE 29 N 0.69 0.91 -0.64 1.22 2.04 -1.08 0.15 117.51 120.81 2ju8 h ILE 29 Ca 0.16 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.98 2ju8 h ILE 29 Cb 0.25 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 2ju8 h ILE 29 CO -0.00 0.04 0.40 1.56 0.00 0.00 0.00 178.15 180.14 2ju8 h GLN 30 N 0.19 0.76 -0.07 2.37 1.08 -1.05 0.25 115.11 118.65 2ju8 h GLN 30 Ca 0.12 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 2ju8 h GLN 30 Cb 0.10 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2ju8 h GLN 30 CO -0.13 0.51 -0.45 0.87 -0.95 0.00 0.00 178.83 178.67 2ju8 h LYS 31 N 0.79 0.15 0.00 1.46 1.57 -1.19 -3.03 116.57 116.32 2ju8 h LYS 31 Ca 0.25 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 2ju8 h LYS 31 Cb -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2ju8 h LYS 31 CO -0.09 0.57 -0.85 0.78 -0.57 0.00 0.00 179.45 179.29 2ju8 h GLY 32 N 1.31 0.00 1.65 3.86 0.00 -0.07 -3.22 103.07 106.59 2ju8 h GLY 32 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 2ju8 h GLY 32 CO 0.07 0.00 -1.03 0.07 0.00 0.00 0.00 176.54 175.64 2ju8 h LYS 33 N 0.00 0.30 0.00 4.80 2.10 -0.49 -3.21 116.57 120.07 2ju8 h LYS 33 Ca -0.06 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2ju8 h LYS 33 Cb 1.34 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 2ju8 h LYS 33 CO 0.04 1.11 -0.15 -0.25 -2.00 0.00 0.00 179.45 178.20 2ju8 n ASP 34 N -3.64 0.68 -4.45 7.07 9.92 -1.15 -4.79 116.55 120.20 2ju8 n ASP 34 Ca -0.06 0.44 -0.33 0.00 -0.53 0.00 0.00 54.79 54.31 2ju8 n ASP 34 Cb 0.90 -0.52 -0.13 0.00 -0.64 0.00 0.00 41.12 40.72 2ju8 n ASP 34 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ju8 s ILE 35 N -3.10 3.07 0.36 0.53 -1.09 -1.21 -5.11 121.20 114.65 2ju8 s ILE 35 Ca 0.10 -0.70 -0.25 0.00 -2.23 0.00 0.00 60.65 57.58 2ju8 s ILE 35 Cb 0.14 -2.23 -0.10 0.00 -1.58 0.00 0.00 42.46 38.69 2ju8 s ILE 35 CO 0.62 0.57 0.98 -1.59 -1.23 0.00 0.00 174.94 174.29 2ju8 s LYS 36 N -0.40 4.39 0.54 2.79 -2.85 -1.26 -4.79 119.74 118.16 2ju8 s LYS 36 Ca 0.05 1.37 0.04 0.00 -1.00 0.00 0.00 55.97 56.42 2ju8 s LYS 36 Cb -0.12 -2.63 0.05 0.00 -2.06 0.00 0.00 37.83 33.07 2ju8 s LYS 36 CO 0.02 0.09 0.75 0.20 0.10 0.00 0.00 175.35 176.51 2ju8 s GLY 37 N -1.67 1.84 -0.03 0.59 0.00 -0.74 -4.82 107.32 102.49 2ju8 s GLY 37 Ca 0.54 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.71 2ju8 s GLY 37 CO 0.24 -1.25 -0.04 0.14 0.00 0.00 0.00 173.10 172.18 2ju8 s VAL 38 N -2.69 0.48 -0.00 1.40 1.01 -1.19 0.08 120.40 119.49 2ju8 s VAL 38 Ca 0.58 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2ju8 s VAL 38 Cb -0.09 -0.49 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 2ju8 s VAL 38 CO 0.38 0.19 -0.05 -0.55 0.00 0.00 0.00 175.10 175.07 2ju8 s SER 39 N 0.66 0.56 -0.05 3.32 0.15 0.55 -1.97 113.70 116.93 2ju8 s SER 39 Ca -0.08 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2ju8 s SER 39 Cb -0.12 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 2ju8 s SER 39 CO -0.00 0.05 -0.02 -0.70 1.20 0.00 0.00 173.24 173.77 2ju8 s GLU 40 N -0.15 0.67 -0.22 5.44 2.12 -0.44 -0.88 118.70 125.24 2ju8 s GLU 40 Ca 0.02 -0.01 -0.03 0.00 0.36 0.00 0.00 54.97 55.30 2ju8 s GLU 40 Cb -0.02 -0.82 -0.00 0.00 0.26 0.00 0.00 34.13 33.55 2ju8 s GLU 40 CO -0.00 -0.16 -0.05 0.42 -0.54 0.00 0.00 175.26 174.93 2ju8 s ILE 41 N 1.25 3.28 -0.31 -3.70 1.01 -1.01 -2.19 121.20 119.53 2ju8 s ILE 41 Ca -0.06 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 2ju8 s ILE 41 Cb -0.14 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2ju8 s ILE 41 CO -0.02 0.40 0.11 -0.69 0.00 0.00 0.00 174.94 174.74 2ju8 s VAL 42 N 1.46 4.14 -0.34 2.92 1.01 -0.57 -2.90 120.40 126.12 2ju8 s VAL 42 Ca 0.05 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 2ju8 s VAL 42 Cb -0.14 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2ju8 s VAL 42 CO -0.04 0.03 0.28 -2.28 0.00 0.00 0.00 175.10 173.09 2ju8 s HIS 43 N 1.52 3.22 -0.28 5.22 5.04 -1.26 -1.58 115.29 127.17 2ju8 s HIS 43 Ca 0.03 -0.12 -0.03 0.00 -1.54 0.00 0.00 55.06 53.40 2ju8 s HIS 43 Cb -0.17 -2.54 0.09 0.00 0.04 0.00 0.00 32.58 30.00 2ju8 s HIS 43 CO 0.04 -0.37 0.11 -1.21 -2.34 0.00 0.00 174.74 170.97 2ju8 s GLU 44 N 1.83 0.35 7.55 2.88 0.41 -1.03 -4.95 118.70 125.72 2ju8 s GLU 44 Ca 0.08 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 2ju8 s GLU 44 Cb -0.17 -1.49 0.00 0.00 -1.78 0.00 0.00 34.13 30.69 2ju8 s GLU 44 CO 0.11 -0.96 0.00 0.41 -0.49 0.00 0.00 175.26 174.33 2ju8 n GLY 45 N 5.13 3.00 0.00 -1.39 0.00 -1.26 -2.36 105.19 108.31 2ju8 n GLY 45 Ca -0.05 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.97 2ju8 n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ju8 n LYS 46 N 10.14 1.68 -3.80 1.61 2.85 -1.26 -4.94 118.16 124.43 2ju8 n LYS 46 Ca 0.00 -0.03 -0.35 0.00 -1.05 0.00 0.00 58.31 56.88 2ju8 n LYS 46 Cb 0.00 -1.25 -0.08 0.00 -0.65 0.00 0.00 35.03 33.05 2ju8 n LYS 46 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2ju8 s LYS 47 N -2.57 4.09 -0.13 -1.58 -2.85 -1.00 -1.55 119.74 114.17 2ju8 s LYS 47 Ca 0.03 -0.24 0.03 0.00 -1.00 0.00 0.00 55.97 54.79 2ju8 s LYS 47 Cb 0.11 -3.36 0.01 0.00 -2.06 0.00 0.00 37.83 32.53 2ju8 s LYS 47 CO 0.62 0.32 -0.23 0.08 0.10 0.00 0.00 175.35 176.25 2ju8 s VAL 48 N 0.28 2.06 -0.22 1.79 1.01 -0.73 -2.48 120.40 122.11 2ju8 s VAL 48 Ca 0.07 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 2ju8 s VAL 48 Cb -0.11 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2ju8 s VAL 48 CO -0.01 0.55 0.40 -0.75 0.00 0.00 0.00 175.10 175.29 2ju8 s LYS 49 N 0.69 4.14 -0.18 2.72 2.20 -0.61 -2.71 119.74 125.98 2ju8 s LYS 49 Ca -0.10 0.18 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2ju8 s LYS 49 Cb -0.16 -3.57 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2ju8 s LYS 49 CO 0.01 -0.11 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.61 2ju8 s LEU 50 N 1.53 2.65 -0.10 5.43 2.96 -0.56 -1.51 118.68 129.07 2ju8 s LEU 50 Ca 0.18 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2ju8 s LEU 50 Cb -0.15 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.92 2ju8 s LEU 50 CO 0.08 0.05 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.12 2ju8 s THR 51 N 1.01 1.49 -0.07 3.68 2.01 -0.93 -1.28 115.64 121.55 2ju8 s THR 51 Ca -0.01 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.36 2ju8 s THR 51 Cb -0.15 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.03 2ju8 s THR 51 CO -0.02 0.44 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.60 2ju8 s ILE 52 N 0.84 1.14 -0.10 1.82 1.01 -0.04 -1.32 121.20 124.54 2ju8 s ILE 52 Ca -0.10 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2ju8 s ILE 52 Cb -0.15 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.26 2ju8 s ILE 52 CO 0.01 0.36 -0.22 -0.89 0.00 0.00 0.00 174.94 174.20 2ju8 s THR 53 N 0.76 2.24 -0.26 2.92 2.01 -0.83 -0.50 115.64 121.98 2ju8 s THR 53 Ca -0.13 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 60.94 2ju8 s THR 53 Cb -0.16 -1.87 0.06 0.00 0.01 0.00 0.00 72.50 70.55 2ju8 s THR 53 CO 0.03 0.55 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.12 2ju8 s TYR 54 N 0.31 3.08 0.00 4.92 2.02 -0.75 -3.17 117.35 123.77 2ju8 s TYR 54 Ca -0.17 -2.24 0.00 0.00 -0.37 0.00 0.00 57.07 54.30 2ju8 s TYR 54 Cb -0.17 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.47 2ju8 s TYR 54 CO 0.08 -0.86 0.00 0.41 -1.57 0.00 0.00 175.55 173.61 2ju8 n GLY 55 N 4.48 1.31 0.31 0.71 0.00 -1.26 -1.86 105.19 108.88 2ju8 n GLY 55 Ca -0.12 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2ju8 n GLY 55 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ju8 n SER 56 N 3.31 0.00 -4.49 1.61 2.88 -1.26 -5.08 113.62 110.59 2ju8 n SER 56 Ca 0.00 -1.54 -0.34 0.00 -1.33 0.00 0.00 58.87 55.66 2ju8 n SER 56 Cb 0.00 -0.11 -0.12 0.00 -0.75 0.00 0.00 64.21 63.23 2ju8 n SER 56 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2ju8 s LYS 57 N 0.00 3.69 -0.22 -1.46 2.20 -0.78 -5.09 119.74 118.07 2ju8 s LYS 57 Ca 0.00 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 55.00 2ju8 s LYS 57 Cb 0.00 -3.02 -0.05 0.00 -1.51 0.00 0.00 37.83 33.26 2ju8 s LYS 57 CO 0.00 0.15 0.18 0.08 -0.36 0.00 0.00 175.35 175.41 2ju8 s VAL 58 N 0.61 5.35 -0.25 4.02 1.01 -1.26 -1.80 120.40 128.09 2ju8 s VAL 58 Ca -0.01 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 2ju8 s VAL 58 Cb -0.14 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.74 2ju8 s VAL 58 CO 0.02 0.36 -0.04 -0.63 0.00 0.00 0.00 175.10 174.81 2ju8 s ILE 59 N 0.91 3.08 -0.07 2.22 -1.09 0.35 -4.99 121.20 121.60 2ju8 s ILE 59 Ca 0.09 -0.88 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 2ju8 s ILE 59 Cb -0.13 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 2ju8 s ILE 59 CO 0.03 0.24 -0.18 -1.38 -1.23 0.00 0.00 174.94 172.42 2ju8 s HIS 60 N 1.38 2.63 0.12 3.97 -3.43 -1.26 -0.86 115.29 117.83 2ju8 s HIS 60 Ca 0.02 -0.51 -0.10 0.00 -0.80 0.00 0.00 55.06 53.67 2ju8 s HIS 60 Cb -0.16 -1.68 0.00 0.00 -1.43 0.00 0.00 32.58 29.32 2ju8 s HIS 60 CO -0.04 -0.08 0.25 -0.80 -2.00 0.00 0.00 174.74 172.08 2ju8 s ASN 61 N -0.22 0.04 -0.07 7.38 -0.87 -0.40 -5.03 114.94 115.78 2ju8 s ASN 61 Ca -0.01 -0.67 -0.06 0.00 -1.57 0.00 0.00 52.86 50.56 2ju8 s ASN 61 Cb -0.13 0.39 0.02 0.00 -0.02 0.00 0.00 41.25 41.51 2ju8 s ASN 61 CO 0.03 -0.80 0.18 -0.70 -2.57 0.00 0.00 177.10 173.24 2ju8 s GLU 62 N -3.88 0.20 0.01 -0.60 2.12 -1.26 -1.50 118.70 113.78 2ju8 s GLU 62 Ca 0.08 0.27 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 2ju8 s GLU 62 Cb 0.04 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.52 2ju8 s GLU 62 CO -0.08 -0.04 0.26 -0.59 -0.54 0.00 0.00 175.26 174.28 2ju8 s PHE 63 N 0.21 -0.10 -0.19 5.30 -0.12 -1.10 -4.83 117.98 117.15 2ju8 s PHE 63 Ca -0.01 0.08 -0.10 0.00 -0.05 0.00 0.00 56.93 56.85 2ju8 s PHE 63 Cb -0.02 0.06 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 2ju8 s PHE 63 CO -0.01 -0.40 0.14 0.99 -0.05 0.00 0.00 175.22 175.90 2ju8 s THR 64 N -1.70 5.41 -0.14 -4.49 2.01 -1.26 -1.78 115.64 113.70 2ju8 s THR 64 Ca -0.11 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 2ju8 s THR 64 Cb -0.04 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2ju8 s THR 64 CO 0.02 0.46 1.42 -0.76 -0.69 0.00 0.00 174.62 175.07 2ju8 s LEU 65 N 0.21 4.18 0.00 4.42 1.43 -0.59 -2.47 118.68 125.86 2ju8 s LEU 65 Ca 0.09 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2ju8 s LEU 65 Cb -0.11 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2ju8 s LEU 65 CO -0.01 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.30 2ju8 n GLY 66 N 3.91 0.40 3.39 -3.19 0.00 -0.95 -4.98 105.19 103.78 2ju8 n GLY 66 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2ju8 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ju8 s GLU 67 N -0.94 1.45 -0.26 1.61 0.41 -1.03 -4.99 118.70 114.95 2ju8 s GLU 67 Ca 0.00 -1.58 -0.23 0.00 -0.41 0.00 0.00 54.97 52.75 2ju8 s GLU 67 Cb 0.00 -1.48 -0.01 0.00 -1.78 0.00 0.00 34.13 30.86 2ju8 s GLU 67 CO 0.00 0.28 0.76 -2.00 -0.49 0.00 0.00 175.26 173.81 2ju8 s GLU 68 N -3.23 4.10 0.22 1.61 2.12 -1.26 -3.81 118.70 118.45 2ju8 s GLU 68 Ca 0.23 0.72 0.08 0.00 0.36 0.00 0.00 54.97 56.36 2ju8 s GLU 68 Cb -0.04 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 2ju8 s GLU 68 CO 0.10 -0.53 0.01 0.00 -0.54 0.00 0.00 175.26 174.29 2ju8 s GLU 70 N -3.30 3.99 -0.08 0.00 2.12 -1.26 -1.35 118.70 118.82 2ju8 s GLU 70 Ca 0.29 -0.19 0.03 0.00 0.36 0.00 0.00 54.97 55.47 2ju8 s GLU 70 Cb -0.08 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 2ju8 s GLU 70 CO 0.19 -0.19 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.04 2ju8 s LEU 71 N 1.79 2.46 -0.16 2.70 2.01 -0.47 -4.92 118.68 122.09 2ju8 s LEU 71 Ca 0.10 -0.37 -0.24 0.00 0.01 0.00 0.00 54.13 53.63 2ju8 s LEU 71 Cb -0.16 -1.50 -0.02 0.00 0.01 0.00 0.00 46.19 44.52 2ju8 s LEU 71 CO 0.10 0.24 0.77 -0.70 1.01 0.00 0.00 176.35 177.77 2ju8 s GLU 72 N -0.08 4.29 0.96 1.70 2.12 -1.26 -1.35 118.70 125.08 2ju8 s GLU 72 Ca -0.04 0.91 -0.13 0.00 0.36 0.00 0.00 54.97 56.08 2ju8 s GLU 72 Cb -0.14 -3.56 0.17 0.00 0.26 0.00 0.00 34.13 30.85 2ju8 s GLU 72 CO 0.04 -0.27 1.13 0.95 -0.54 0.00 0.00 175.26 176.58 2ju8 s THR 73 N 1.95 1.97 0.44 -1.70 -4.23 -0.92 -4.92 115.64 108.23 2ju8 s THR 73 Ca 0.36 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.98 2ju8 s THR 73 Cb -0.17 -2.67 0.25 0.00 1.34 0.00 0.00 72.50 71.25 2ju8 s THR 73 CO 0.13 0.00 2.06 -0.03 -0.54 0.00 0.00 174.62 176.24 2ju8 h MET 74 N -1.70 0.29 -0.37 3.99 4.05 -1.97 -2.47 114.93 116.75 2ju8 h MET 74 Ca -0.51 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 58.87 2ju8 h MET 74 Cb 1.33 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 2ju8 h MET 74 CO 0.58 0.23 0.17 1.79 0.23 0.00 0.00 176.91 179.92 2ju8 h THR 75 N 0.29 1.17 0.00 -0.77 1.35 -2.03 -3.47 112.91 109.46 2ju8 h THR 75 Ca 0.08 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2ju8 h THR 75 Cb 0.05 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 2ju8 h THR 75 CO -0.01 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 2ju8 n GLY 76 N -0.85 0.95 3.67 5.82 0.00 -0.93 -5.12 105.19 108.74 2ju8 n GLY 76 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.25 0.18 1.61 2.12 -1.26 -4.77 118.70 120.83 2ju8 s GLU 77 Ca 0.00 0.62 -0.23 0.00 0.36 0.00 0.00 54.97 55.72 2ju8 s GLU 77 Cb 0.00 -3.55 -0.08 0.00 0.26 0.00 0.00 34.13 30.76 2ju8 s GLU 77 CO 0.00 -0.15 0.75 -1.59 -0.54 0.00 0.00 175.26 173.73 2ju8 s LYS 78 N 1.62 4.46 0.17 4.30 0.00 -1.26 -2.17 119.74 126.86 2ju8 s LYS 78 Ca 0.29 1.06 0.06 0.00 0.00 0.00 0.00 55.97 57.37 2ju8 s LYS 78 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 37.83 34.48 2ju8 s LYS 78 CO 0.11 0.52 -0.12 0.14 0.00 0.00 0.00 175.35 176.01 2ju8 s VAL 79 N -1.26 1.36 -0.16 1.79 -7.23 -0.46 -4.96 120.40 109.49 2ju8 s VAL 79 Ca 0.37 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 2ju8 s VAL 79 Cb -0.21 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2ju8 s VAL 79 CO 0.24 -0.69 0.38 -1.59 -0.31 0.00 0.00 175.10 173.13 2ju8 s LYS 80 N -3.68 4.26 -0.05 4.82 -2.85 -1.26 -1.37 119.74 119.61 2ju8 s LYS 80 Ca 0.18 0.23 -0.06 0.00 -1.00 0.00 0.00 55.97 55.32 2ju8 s LYS 80 Cb 0.01 -3.46 0.01 0.00 -2.06 0.00 0.00 37.83 32.34 2ju8 s LYS 80 CO 0.03 0.14 0.16 0.00 0.10 0.00 0.00 175.35 175.78 2ju8 s ALA 81 N 0.74 -0.40 -0.24 0.59 0.00 -0.45 -4.21 121.76 117.79 2ju8 s ALA 81 Ca 0.20 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 2ju8 s ALA 81 Cb -0.14 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.79 2ju8 s ALA 81 CO 0.07 -0.10 -0.05 0.54 0.00 0.00 0.00 175.76 176.21 2ju8 s VAL 82 N -0.19 3.05 -0.21 0.00 0.11 -1.16 -0.24 120.40 121.76 2ju8 s VAL 82 Ca -0.03 -0.84 -0.05 0.00 -2.93 0.00 0.00 61.98 58.14 2ju8 s VAL 82 Cb -0.02 -2.49 -0.02 0.00 -1.53 0.00 0.00 36.38 32.32 2ju8 s VAL 82 CO 0.00 0.28 -0.00 0.54 -3.33 0.00 0.00 175.10 172.59 2ju8 s VAL 83 N 1.38 3.83 0.09 2.04 0.11 -1.25 -2.91 120.40 123.68 2ju8 s VAL 83 Ca 0.02 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.78 2ju8 s VAL 83 Cb -0.16 -2.74 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 2ju8 s VAL 83 CO -0.04 0.42 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.46 2ju8 s LYS 84 N 1.20 0.90 0.08 1.54 1.02 -0.89 -2.24 119.74 121.35 2ju8 s LYS 84 Ca 0.03 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 54.83 2ju8 s LYS 84 Cb -0.15 -0.86 -0.06 0.00 -0.52 0.00 0.00 37.83 36.25 2ju8 s LYS 84 CO 0.01 0.18 0.46 0.00 -0.92 0.00 0.00 175.35 175.08 2ju8 s MET 85 N -2.09 3.91 -0.05 1.68 0.23 -1.26 -1.92 119.30 119.80 2ju8 s MET 85 Ca 0.02 0.38 0.20 0.00 -1.03 0.00 0.00 55.69 55.26 2ju8 s MET 85 Cb -0.08 -3.05 -0.31 0.00 -1.53 0.00 0.00 34.83 29.86 2ju8 s MET 85 CO 0.02 0.57 0.41 -1.91 -2.03 0.00 0.00 175.02 172.08 2ju8 n GLU 86 N 1.16 0.65 0.00 3.16 4.07 -0.12 -4.87 120.64 124.69 2ju8 n GLU 86 Ca -0.09 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.84 2ju8 n GLU 86 Cb 0.52 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.41 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 1.39 0.61 3.46 8.31 0.00 -1.12 -4.96 105.19 112.89 2ju8 n GLY 87 Ca -0.07 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 2ju8 n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ju8 s ASP 88 N -4.00 5.10 -0.76 1.61 2.15 -1.26 -4.51 116.67 114.99 2ju8 s ASP 88 Ca 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2ju8 s ASP 88 Cb 0.00 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 2ju8 s ASP 88 CO 0.00 -0.01 0.00 0.59 -0.17 0.00 0.00 175.17 175.58 2ju8 n ASN 89 N 4.73 -5.22 -3.84 -0.34 5.03 -0.71 -4.86 115.26 110.04 2ju8 n ASN 89 Ca -0.16 0.18 -0.21 0.00 0.87 0.00 0.00 54.58 55.26 2ju8 n ASN 89 Cb 0.51 -3.66 -0.17 0.00 -1.02 0.00 0.00 39.78 35.44 2ju8 n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ju8 s LYS 90 N -2.48 0.69 -0.04 3.52 -0.14 -1.26 -2.70 119.74 117.33 2ju8 s LYS 90 Ca 0.00 -0.01 -0.02 0.00 -1.36 0.00 0.00 55.97 54.59 2ju8 s LYS 90 Cb 0.00 -0.85 0.03 0.00 -1.68 0.00 0.00 37.83 35.33 2ju8 s LYS 90 CO 0.00 -0.17 0.09 -1.64 -0.76 0.00 0.00 175.35 172.86 2ju8 s MET 91 N 1.32 0.03 -0.21 1.68 -1.94 0.24 -0.94 119.30 119.48 2ju8 s MET 91 Ca -0.05 0.26 -0.02 0.00 -1.71 0.00 0.00 55.69 54.16 2ju8 s MET 91 Cb -0.13 -0.18 0.00 0.00 2.01 0.00 0.00 34.83 36.53 2ju8 s MET 91 CO -0.02 -0.15 -0.08 0.54 -0.01 0.00 0.00 175.02 175.30 2ju8 s VAL 92 N 0.98 3.00 -0.06 -6.03 0.11 -0.81 -1.77 120.40 115.82 2ju8 s VAL 92 Ca -0.08 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2ju8 s VAL 92 Cb -0.11 -2.36 0.02 0.00 -1.53 0.00 0.00 36.38 32.41 2ju8 s VAL 92 CO -0.04 0.43 -0.04 0.28 -3.33 0.00 0.00 175.10 172.40 2ju8 s THR 93 N 1.42 0.57 -0.03 5.04 -1.32 -0.81 -2.09 115.64 118.41 2ju8 s THR 93 Ca 0.05 -0.10 0.05 0.00 -1.21 0.00 0.00 61.69 60.48 2ju8 s THR 93 Cb -0.14 -0.61 -0.01 0.00 -1.51 0.00 0.00 72.50 70.23 2ju8 s THR 93 CO -0.06 0.25 -0.18 -0.89 -2.21 0.00 0.00 174.62 171.53 2ju8 s THR 94 N 1.19 1.47 -0.03 5.08 2.01 -1.15 -2.35 115.64 121.87 2ju8 s THR 94 Ca -0.07 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2ju8 s THR 94 Cb -0.14 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.15 2ju8 s THR 94 CO -0.02 0.42 0.01 0.72 -0.69 0.00 0.00 174.62 175.07 2ju8 s PHE 95 N -0.16 0.20 0.00 4.92 -0.71 -1.21 -3.01 117.98 118.01 2ju8 s PHE 95 Ca 0.01 0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 2ju8 s PHE 95 Cb -0.10 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.36 2ju8 s PHE 95 CO 0.01 -0.12 0.00 1.63 -1.34 0.00 0.00 175.22 175.40 2ju8 n LYS 96 N 4.22 0.00 -0.63 1.99 5.02 -1.26 -1.54 118.16 125.96 2ju8 n LYS 96 Ca -0.26 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.03 2ju8 n LYS 96 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.51 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 0.78 3.58 0.72 0.00 -1.26 -5.11 105.19 103.90 2ju8 n GLY 97 Ca 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 3.75 -0.29 -0.61 1.01 -0.59 -5.05 121.20 119.42 2ju8 s ILE 98 Ca 0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 2ju8 s ILE 98 Cb 0.03 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 2ju8 s ILE 98 CO -0.01 0.59 0.39 -0.75 0.00 0.00 0.00 174.94 175.15 2ju8 s LYS 99 N -0.67 3.90 -0.17 2.79 2.47 -1.25 -3.29 119.74 123.52 2ju8 s LYS 99 Ca 0.10 -0.05 0.01 0.00 -1.56 0.00 0.00 55.97 54.47 2ju8 s LYS 99 Cb -0.11 -3.70 0.02 0.00 -1.46 0.00 0.00 37.83 32.58 2ju8 s LYS 99 CO 0.02 -0.36 -0.18 0.45 0.16 0.00 0.00 175.35 175.44 2ju8 s SER 100 N 1.67 2.98 -0.14 1.43 0.15 -0.99 -2.90 113.70 115.90 2ju8 s SER 100 Ca 0.15 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.22 2ju8 s SER 100 Cb -0.16 -1.38 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 2ju8 s SER 100 CO 0.11 -0.01 -0.16 -0.69 1.20 0.00 0.00 173.24 173.68 2ju8 s VAL 101 N 1.31 1.65 -0.13 4.45 1.01 -0.39 -1.93 120.40 126.37 2ju8 s VAL 101 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2ju8 s VAL 101 Cb -0.13 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2ju8 s VAL 101 CO -0.11 0.47 -0.14 -0.89 0.00 0.00 0.00 175.10 174.43 2ju8 s THR 102 N 1.23 2.98 -0.26 3.92 2.01 -0.73 -0.62 115.64 124.18 2ju8 s THR 102 Ca -0.00 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.17 2ju8 s THR 102 Cb -0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2ju8 s THR 102 CO -0.07 0.53 0.36 -0.70 -0.69 0.00 0.00 174.62 174.04 2ju8 s GLU 103 N 0.35 4.03 -0.34 4.92 2.12 -0.15 -0.59 118.70 129.05 2ju8 s GLU 103 Ca -0.12 0.02 -0.14 0.00 0.36 0.00 0.00 54.97 55.10 2ju8 s GLU 103 Cb -0.16 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 2ju8 s GLU 103 CO 0.06 -0.23 0.30 0.12 -0.54 0.00 0.00 175.26 174.97 2ju8 s PHE 104 N 1.93 3.22 0.13 5.30 2.19 -1.10 -2.76 117.98 126.89 2ju8 s PHE 104 Ca 0.15 -0.08 0.08 0.00 0.33 0.00 0.00 56.93 57.40 2ju8 s PHE 104 Cb -0.16 -2.57 -0.04 0.00 -1.31 0.00 0.00 43.02 38.95 2ju8 s PHE 104 CO 0.10 -0.38 -0.18 -0.80 1.83 0.00 0.00 175.22 175.79 2ju8 s ASN 105 N 1.73 2.45 -0.01 6.13 0.02 -1.21 -1.74 114.94 122.30 2ju8 s ASN 105 Ca 0.09 -0.78 0.01 0.00 -1.02 0.00 0.00 52.86 51.16 2ju8 s ASN 105 Cb -0.17 -0.13 0.04 0.00 0.02 0.00 0.00 41.25 41.01 2ju8 s ASN 105 CO 0.11 -0.03 0.58 0.61 0.02 0.00 0.00 177.10 178.39 2ju8 n GLY 106 N 0.65 1.60 0.00 0.66 0.00 -1.26 -3.81 105.19 103.03 2ju8 n GLY 106 Ca -0.16 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2ju8 n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ju8 n ASP 107 N 0.05 0.00 -3.73 1.61 8.00 -1.26 -4.94 116.55 116.28 2ju8 n ASP 107 Ca 0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 2ju8 n ASP 107 Cb 0.31 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.24 2ju8 n ASP 107 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ju8 s THR 108 N -1.00 -0.09 -0.23 -3.53 2.01 -1.25 -1.15 115.64 110.40 2ju8 s THR 108 Ca 0.00 0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.23 2ju8 s THR 108 Cb 0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 2ju8 s THR 108 CO 0.00 0.12 0.02 -0.63 -0.69 0.00 0.00 174.62 173.44 2ju8 s ILE 109 N 1.54 3.98 -0.06 1.82 -1.09 -1.11 -3.32 121.20 122.95 2ju8 s ILE 109 Ca -0.04 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 2ju8 s ILE 109 Cb -0.12 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.91 2ju8 s ILE 109 CO -0.04 0.39 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.01 2ju8 s THR 110 N 1.36 2.86 -0.05 2.92 2.01 -1.11 -2.83 115.64 120.79 2ju8 s THR 110 Ca 0.05 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.32 2ju8 s THR 110 Cb -0.15 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 2ju8 s THR 110 CO 0.01 0.58 -0.24 0.20 -0.69 0.00 0.00 174.62 174.48 2ju8 s ASN 111 N -0.49 2.92 -0.21 3.53 0.01 -1.14 -0.98 114.94 118.60 2ju8 s ASN 111 Ca 0.06 -0.48 0.02 0.00 -0.71 0.00 0.00 52.86 51.74 2ju8 s ASN 111 Cb -0.12 -0.76 0.03 0.00 0.41 0.00 0.00 41.25 40.81 2ju8 s ASN 111 CO 0.01 0.24 -0.17 -0.89 -1.51 0.00 0.00 177.10 174.78 2ju8 s THR 112 N -0.17 2.09 -0.14 1.60 2.01 0.21 -2.35 115.64 118.89 2ju8 s THR 112 Ca -0.03 -1.18 0.00 0.00 0.31 0.00 0.00 61.69 60.80 2ju8 s THR 112 Cb -0.13 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.40 2ju8 s THR 112 CO 0.03 0.34 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.12 2ju8 s MET 113 N 1.23 2.25 -0.17 4.92 -1.94 -0.28 -1.26 119.30 124.05 2ju8 s MET 113 Ca 0.00 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 2ju8 s MET 113 Cb -0.15 -2.06 0.02 0.00 2.01 0.00 0.00 34.83 34.64 2ju8 s MET 113 CO -0.10 -0.22 -0.20 0.99 -0.01 0.00 0.00 175.02 175.48 2ju8 s THR 114 N 1.46 2.00 -0.15 2.05 2.01 -1.14 -0.83 115.64 121.05 2ju8 s THR 114 Ca 0.04 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 2ju8 s THR 114 Cb -0.13 -1.81 0.07 0.00 0.01 0.00 0.00 72.50 70.64 2ju8 s THR 114 CO -0.10 0.53 0.22 -1.48 -0.69 0.00 0.00 174.62 173.10 2ju8 s LEU 115 N 1.23 -0.16 -0.63 4.42 2.34 -1.08 -3.91 118.68 120.89 2ju8 s LEU 115 Ca 0.03 0.20 -0.02 0.00 0.06 0.00 0.00 54.13 54.40 2ju8 s LEU 115 Cb -0.13 0.45 0.00 0.00 -0.56 0.00 0.00 46.19 45.95 2ju8 s LEU 115 CO -0.11 -0.28 0.54 0.61 -1.06 0.00 0.00 176.35 176.05 2ju8 n GLY 116 N 5.33 0.13 3.33 -3.48 0.00 -1.26 -2.74 105.19 106.49 2ju8 n GLY 116 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2ju8 n GLY 116 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ju8 n ASP 117 N -1.44 -1.81 -4.78 1.61 2.03 -1.26 -4.96 116.55 105.95 2ju8 n ASP 117 Ca -0.07 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.85 2ju8 n ASP 117 Cb 0.56 -2.01 -0.06 0.00 -0.72 0.00 0.00 41.12 38.89 2ju8 n ASP 117 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ju8 s ILE 118 N -1.72 4.69 -0.26 5.18 1.01 -1.11 -5.06 121.20 123.93 2ju8 s ILE 118 Ca 0.00 1.40 -0.06 0.00 0.00 0.00 0.00 60.65 61.99 2ju8 s ILE 118 Cb 0.00 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.47 2ju8 s ILE 118 CO 0.00 0.49 0.03 -0.69 0.00 0.00 0.00 174.94 174.77 2ju8 s VAL 119 N -0.74 3.81 -0.22 2.92 1.01 -1.26 -2.63 120.40 123.28 2ju8 s VAL 119 Ca 0.32 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 2ju8 s VAL 119 Cb -0.20 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.33 2ju8 s VAL 119 CO 0.21 0.25 -0.06 -0.47 0.00 0.00 0.00 175.10 175.03 2ju8 s TYR 120 N 1.51 2.95 -0.10 5.22 6.14 -0.01 -4.28 117.35 128.79 2ju8 s TYR 120 Ca 0.04 -1.11 0.01 0.00 0.64 0.00 0.00 57.07 56.65 2ju8 s TYR 120 Cb -0.16 -2.08 0.02 0.00 0.42 0.00 0.00 41.96 40.16 2ju8 s TYR 120 CO 0.01 -0.61 -0.09 0.21 0.64 0.00 0.00 175.55 175.71 2ju8 s LYS 121 N 1.44 1.61 -0.23 4.97 2.20 -1.26 -1.13 119.74 127.35 2ju8 s LYS 121 Ca 0.05 -0.32 -0.07 0.00 -0.36 0.00 0.00 55.97 55.27 2ju8 s LYS 121 Cb -0.14 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 2ju8 s LYS 121 CO -0.05 -0.17 0.06 0.50 -0.36 0.00 0.00 175.35 175.34 2ju8 s ARG 122 N 1.34 3.71 -0.26 4.03 3.52 -0.99 -3.55 118.95 126.74 2ju8 s ARG 122 Ca -0.02 -0.46 -0.08 0.00 -0.13 0.00 0.00 55.73 55.05 2ju8 s ARG 122 Cb -0.14 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 2ju8 s ARG 122 CO -0.04 -0.06 0.08 0.08 -0.81 0.00 0.00 175.30 174.55 2ju8 s VAL 123 N 1.24 4.30 0.06 7.11 1.01 -1.20 -2.86 120.40 130.07 2ju8 s VAL 123 Ca 0.04 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2ju8 s VAL 123 Cb -0.15 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2ju8 s VAL 123 CO 0.03 0.27 -0.18 -0.94 0.00 0.00 0.00 175.10 174.29 2ju8 s SER 124 N 1.60 2.11 0.06 3.32 1.04 -1.13 -0.58 113.70 120.12 2ju8 s SER 124 Ca 0.06 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.95 2ju8 s SER 124 Cb -0.16 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2ju8 s SER 124 CO 0.04 0.06 0.05 -0.54 0.98 0.00 0.00 173.24 173.83 2ju8 s LYS 125 N -1.45 2.84 -0.25 4.02 1.02 -1.07 -2.76 119.74 122.09 2ju8 s LYS 125 Ca 0.04 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.12 2ju8 s LYS 125 Cb -0.09 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.51 2ju8 s LYS 125 CO 0.02 0.58 0.75 0.50 -0.92 0.00 0.00 175.35 176.28 2ju8 s ARG 126 N -2.17 4.13 0.00 1.68 3.00 -0.30 -2.75 118.95 122.54 2ju8 s ARG 126 Ca 0.26 0.75 0.00 0.00 -1.00 0.00 0.00 55.73 55.74 2ju8 s ARG 126 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 34.95 31.17 2ju8 s ARG 126 CO 0.19 -0.50 0.05 0.44 0.00 0.00 0.00 175.30 175.48