#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ejm s GLN 2 N 0.00 0.92 -0.02 1.96 -0.21 -0.58 -4.91 119.66 116.82 3ejm s GLN 2 Ca 0.00 -1.18 0.06 0.00 0.02 0.00 0.00 55.36 54.27 3ejm s GLN 2 Cb 0.00 -0.73 -0.02 0.00 1.00 0.00 0.00 33.01 33.26 3ejm s GLN 2 CO 0.00 0.13 -0.21 1.03 -2.12 0.00 0.00 175.29 174.12 3ejm s ARG 3 N -2.64 2.24 0.11 2.91 0.52 -1.26 -1.81 118.95 119.02 3ejm s ARG 3 Ca 0.06 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.47 3ejm s ARG 3 Cb -0.04 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 3ejm s ARG 3 CO 0.02 0.58 -0.13 -0.08 0.02 0.00 0.00 175.30 175.70 3ejm s THR 4 N -0.68 1.24 -0.20 0.02 -1.32 -0.36 -4.82 115.64 109.52 3ejm s THR 4 Ca 0.11 -1.65 -0.08 0.00 -1.21 0.00 0.00 61.69 58.86 3ejm s THR 4 Cb -0.10 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.40 3ejm s THR 4 CO 0.00 -0.41 0.09 -0.22 -2.21 0.00 0.00 174.62 171.86 3ejm s LEU 5 N -2.36 3.87 -0.08 9.08 1.98 -1.26 -1.46 118.68 128.45 3ejm s LEU 5 Ca 0.07 0.08 0.03 0.00 -2.89 0.00 0.00 54.13 51.42 3ejm s LEU 5 Cb -0.05 -2.00 -0.02 0.00 0.66 0.00 0.00 46.19 44.78 3ejm s LEU 5 CO 0.02 0.14 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.76 3ejm s VAL 6 N 0.58 2.75 -0.15 1.68 1.01 0.31 -2.06 120.40 124.52 3ejm s VAL 6 Ca 0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3ejm s VAL 6 Cb -0.13 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3ejm s VAL 6 CO 0.01 0.56 -0.06 -0.76 0.00 0.00 0.00 175.10 174.85 3ejm s LEU 7 N -0.21 3.08 -0.26 3.92 1.43 -0.38 -0.67 118.68 125.59 3ejm s LEU 7 Ca -0.00 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.65 3ejm s LEU 7 Cb -0.13 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 3ejm s LEU 7 CO 0.03 0.15 0.80 -0.63 0.23 0.00 0.00 176.35 176.93 3ejm s ILE 8 N 0.45 4.84 0.52 -0.59 -1.09 -0.01 -0.93 121.20 124.39 3ejm s ILE 8 Ca -0.05 1.41 -0.05 0.00 -2.23 0.00 0.00 60.65 59.74 3ejm s ILE 8 Cb -0.15 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 36.61 3ejm s ILE 8 CO 0.03 -0.12 0.82 -0.54 -1.23 0.00 0.00 174.94 173.90 3ejm s LYS 9 N 2.85 3.19 0.54 2.79 1.02 -0.23 -2.46 119.74 127.44 3ejm s LYS 9 Ca 0.33 -0.01 0.23 0.00 0.02 0.00 0.00 55.97 56.55 3ejm s LYS 9 Cb -0.15 -2.36 1.41 0.00 -0.52 0.00 0.00 37.83 36.21 3ejm s LYS 9 CO 0.09 -0.43 2.07 -1.35 -0.92 0.00 0.00 175.35 174.81 3ejm h PRO 10 N 0.08 0.00 -0.03 -1.68 0.11 -1.82 0.09 132.00 128.76 3ejm h PRO 10 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3ejm h PRO 10 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ejm h PRO 10 CO 0.61 0.00 -0.24 0.38 -0.21 0.00 0.00 178.00 178.54 3ejm h ASP 11 N 0.00 0.04 -0.90 -2.05 2.03 -1.91 -1.04 116.42 112.59 3ejm h ASP 11 Ca 0.14 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.42 3ejm h ASP 11 Cb 0.58 -0.01 -0.04 0.00 -0.83 0.00 0.00 39.33 39.02 3ejm h ASP 11 CO -0.00 0.28 0.53 0.00 -1.03 0.00 0.00 179.24 179.02 3ejm h ALA 12 N 1.72 1.22 -0.06 4.15 0.00 -1.23 -0.99 119.26 124.08 3ejm h ALA 12 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ejm h ALA 12 Cb 0.45 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ejm h ALA 12 CO 0.03 0.65 -0.03 0.74 0.00 0.00 0.00 179.25 180.65 3ejm h PHE 13 N 1.26 0.14 -0.65 0.00 -1.00 -1.42 0.20 116.94 115.47 3ejm h PHE 13 Ca 0.32 -0.03 0.08 0.00 2.81 0.00 0.00 57.97 61.15 3ejm h PHE 13 Cb -0.02 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 3ejm h PHE 13 CO 0.01 0.49 0.43 1.49 -1.61 0.00 0.00 178.31 179.12 3ejm h GLU 14 N -0.25 0.55 -0.36 1.51 4.57 -0.96 -2.51 114.58 117.13 3ejm h GLU 14 Ca 0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3ejm h GLU 14 Cb 0.45 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3ejm h GLU 14 CO 0.01 0.36 0.00 0.54 -1.18 0.00 0.00 179.01 178.74 3ejm n ARG 15 N -4.48 2.45 -3.64 1.92 1.74 -0.40 -4.97 116.66 109.29 3ejm n ARG 15 Ca 0.10 -2.24 -0.21 0.00 -0.77 0.00 0.00 57.85 54.73 3ejm n ARG 15 Cb 0.30 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 3ejm n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3ejm n SER 16 N 1.44 -2.22 -0.38 0.55 7.64 -0.50 -4.93 113.62 115.22 3ejm n SER 16 Ca 0.18 -0.73 0.04 0.00 1.01 0.00 0.00 58.87 59.37 3ejm n SER 16 Cb 0.59 -4.43 0.10 0.00 -1.01 0.00 0.00 64.21 59.46 3ejm n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ejm n LEU 17 N -4.33 2.61 0.15 -3.43 4.77 0.58 -4.76 117.00 112.58 3ejm n LEU 17 Ca -0.24 -2.14 -0.14 0.00 -0.03 0.00 0.00 56.01 53.47 3ejm n LEU 17 Cb 0.65 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3ejm n LEU 17 CO 0.67 0.64 0.77 0.58 -1.33 0.00 0.00 177.39 178.72 3ejm h VAL 18 N 1.11 0.70 -0.60 4.08 2.07 -1.92 -1.15 116.25 120.54 3ejm h VAL 18 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3ejm h VAL 18 Cb 0.71 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3ejm h VAL 18 CO 0.02 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.73 3ejm h ALA 19 N 0.43 1.09 -0.50 1.67 0.00 -1.94 -1.11 119.26 118.90 3ejm h ALA 19 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3ejm h ALA 19 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ejm h ALA 19 CO 0.01 0.60 0.31 1.49 0.00 0.00 0.00 179.25 181.66 3ejm h GLU 20 N 0.90 0.61 0.10 0.00 4.57 -1.80 0.35 114.58 119.31 3ejm h GLU 20 Ca 0.19 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3ejm h GLU 20 Cb 0.35 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3ejm h GLU 20 CO 0.00 0.41 -0.05 0.82 -1.18 0.00 0.00 179.01 179.01 3ejm h ILE 21 N 0.63 1.10 -0.75 2.32 2.04 -0.99 -2.59 117.51 119.28 3ejm h ILE 21 Ca 0.19 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3ejm h ILE 21 Cb -0.03 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3ejm h ILE 21 CO -0.07 0.20 0.49 0.24 0.00 0.00 0.00 178.15 179.01 3ejm h MET 22 N -0.52 0.94 -0.37 2.37 2.86 -1.10 -2.30 114.93 116.81 3ejm h MET 22 Ca -0.01 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3ejm h MET 22 Cb 0.43 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3ejm h MET 22 CO 0.02 0.62 -0.01 0.78 1.06 0.00 0.00 176.91 179.39 3ejm h GLY 23 N 0.97 0.64 1.17 8.32 0.00 -0.25 -0.21 103.07 113.70 3ejm h GLY 23 Ca 0.28 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 3ejm h GLY 23 CO -0.07 0.37 0.27 3.21 0.00 0.00 0.00 176.54 180.32 3ejm h ARG 24 N 0.56 1.06 -0.11 4.80 3.08 -1.00 0.85 114.38 123.61 3ejm h ARG 24 Ca 0.12 -0.19 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 3ejm h ARG 24 Cb 0.37 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.26 3ejm h ARG 24 CO 0.01 0.87 -0.74 0.82 -1.07 0.00 0.00 179.97 179.86 3ejm h ILE 25 N 1.03 1.31 -0.73 2.04 2.04 -1.36 -3.15 117.51 118.70 3ejm h ILE 25 Ca 0.24 -1.97 0.04 0.00 1.00 0.00 0.00 64.86 64.16 3ejm h ILE 25 Cb 0.21 2.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.36 3ejm h ILE 25 CO -0.02 0.61 0.45 -0.08 0.00 0.00 0.00 178.15 179.12 3ejm h GLU 26 N 0.39 0.84 0.00 2.37 4.81 -0.86 -2.57 114.58 119.56 3ejm h GLU 26 Ca -0.06 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3ejm h GLU 26 Cb 1.38 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3ejm h GLU 26 CO 0.15 0.56 0.00 0.87 -0.73 0.00 0.00 179.01 179.86 3ejm h LYS 27 N 0.87 0.00 -0.01 1.92 1.57 -0.85 -1.22 116.57 118.85 3ejm h LYS 27 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3ejm h LYS 27 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3ejm h LYS 27 CO -0.12 0.00 -0.06 1.17 -0.57 0.00 0.00 179.45 179.86 3ejm n LYS 28 N -2.99 1.49 -1.17 3.15 3.00 -0.97 -4.95 118.16 115.71 3ejm n LYS 28 Ca -0.01 -0.88 0.00 0.00 -0.00 0.00 0.00 58.31 57.42 3ejm n LYS 28 Cb 0.20 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.74 3ejm n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3ejm n ASN 29 N 0.01 -2.00 -4.80 3.14 5.15 -0.46 -5.06 115.26 111.24 3ejm n ASN 29 Ca 0.17 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.79 3ejm n ASN 29 Cb 0.36 -0.43 -0.06 0.00 -0.53 0.00 0.00 39.78 39.11 3ejm n ASN 29 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3ejm s PHE 30 N -2.00 3.62 -0.09 1.20 0.40 -1.20 -4.99 117.98 114.92 3ejm s PHE 30 Ca 0.00 1.56 -0.00 0.00 -0.60 0.00 0.00 56.93 57.89 3ejm s PHE 30 Cb 0.00 -2.76 -0.03 0.00 0.51 0.00 0.00 43.02 40.74 3ejm s PHE 30 CO 0.00 0.23 -0.06 0.15 0.70 0.00 0.00 175.22 176.24 3ejm s LYS 31 N -2.18 3.02 0.12 0.44 -0.14 -1.10 -4.58 119.74 115.31 3ejm s LYS 31 Ca 0.48 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.25 3ejm s LYS 31 Cb -0.16 -2.68 -0.07 0.00 -1.68 0.00 0.00 37.83 33.24 3ejm s LYS 31 CO 0.21 0.54 1.23 0.42 -0.76 0.00 0.00 175.35 176.99 3ejm s ILE 32 N -0.46 3.75 -0.17 2.17 1.01 -1.26 -1.54 121.20 124.69 3ejm s ILE 32 Ca 0.07 1.33 0.01 0.00 0.00 0.00 0.00 60.65 62.06 3ejm s ILE 32 Cb -0.12 -3.85 -0.11 0.00 0.01 0.00 0.00 42.46 38.39 3ejm s ILE 32 CO 0.02 0.14 -0.15 0.52 0.00 0.00 0.00 174.94 175.47 3ejm n VAL 33 N 3.41 0.99 -3.87 2.92 0.31 0.39 -4.94 118.33 117.53 3ejm n VAL 33 Ca 0.08 -0.38 -0.09 0.00 -0.01 0.00 0.00 64.34 63.93 3ejm n VAL 33 Cb 0.45 -1.11 -0.08 0.00 -0.91 0.00 0.00 33.84 32.19 3ejm n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ejm s SER 34 N -5.67 0.11 -0.21 4.52 0.01 -1.21 -4.98 113.70 106.27 3ejm s SER 34 Ca -0.23 -0.55 -0.20 0.00 1.31 0.00 0.00 55.95 56.27 3ejm s SER 34 Cb 0.06 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.65 3ejm s SER 34 CO 0.40 -0.65 0.57 -0.32 0.41 0.00 0.00 173.24 173.65 3ejm s MET 35 N -3.32 0.67 -0.02 12.44 0.00 -1.26 -0.83 119.30 126.97 3ejm s MET 35 Ca 0.01 0.76 -0.00 0.00 0.00 0.00 0.00 55.69 56.46 3ejm s MET 35 Cb 0.03 0.33 0.03 0.00 0.00 0.00 0.00 34.83 35.21 3ejm s MET 35 CO -0.08 -0.08 0.03 0.21 0.00 0.00 0.00 175.02 175.10 3ejm s LYS 36 N 0.25 -0.01 -0.13 4.11 2.36 0.41 -4.99 119.74 121.74 3ejm s LYS 36 Ca -0.00 0.20 -0.13 0.00 -2.55 0.00 0.00 55.97 53.49 3ejm s LYS 36 Cb -0.04 -0.31 -0.05 0.00 -1.05 0.00 0.00 37.83 36.39 3ejm s LYS 36 CO 0.01 -0.19 0.28 0.12 1.55 0.00 0.00 175.35 177.12 3ejm s PHE 37 N 1.20 3.52 -0.19 4.03 5.36 -1.26 -0.14 117.98 130.50 3ejm s PHE 37 Ca -0.07 0.63 0.01 0.00 -0.96 0.00 0.00 56.93 56.53 3ejm s PHE 37 Cb -0.13 -2.27 0.03 0.00 -0.34 0.00 0.00 43.02 40.31 3ejm s PHE 37 CO -0.03 0.37 -0.17 -1.58 -1.46 0.00 0.00 175.22 172.36 3ejm s TRP 38 N 0.03 2.73 0.41 10.12 0.52 0.39 -4.98 118.94 128.16 3ejm s TRP 38 Ca 0.17 -1.69 0.12 0.00 0.02 0.00 0.00 56.10 54.71 3ejm s TRP 38 Cb -0.13 -1.84 0.88 0.00 -1.15 0.00 0.00 33.47 31.23 3ejm s TRP 38 CO 0.05 -0.79 1.95 0.66 0.02 0.00 0.00 176.95 178.84 3ejm h SER 39 N 7.93 0.12 -1.60 2.95 4.64 -1.92 -1.52 113.55 124.14 3ejm h SER 39 Ca -0.38 -0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.02 3ejm h SER 39 Cb 1.12 -0.03 -0.21 0.00 -0.31 0.00 0.00 62.40 62.97 3ejm h SER 39 CO 0.58 0.29 -0.09 -0.75 -0.87 0.00 0.00 176.83 175.98 3ejm s LYS 40 N -4.69 0.52 0.43 4.77 2.20 -1.26 -3.24 119.74 118.47 3ejm s LYS 40 Ca -0.05 1.23 -0.24 0.00 -0.36 0.00 0.00 55.97 56.55 3ejm s LYS 40 Cb 0.16 0.73 -0.08 0.00 -1.51 0.00 0.00 37.83 37.13 3ejm s LYS 40 CO 0.72 -0.26 1.14 0.00 -0.36 0.00 0.00 175.35 176.58 3ejm s ALA 41 N 2.83 3.03 0.28 3.13 0.00 -1.26 -4.96 121.76 124.81 3ejm s ALA 41 Ca -0.00 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 3ejm s ALA 41 Cb -0.12 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 3ejm s ALA 41 CO -0.19 -0.52 1.53 -2.14 0.00 0.00 0.00 175.76 174.44 3ejm s PRO 42 N -2.58 4.17 0.38 0.00 0.02 -1.26 -4.80 135.00 130.93 3ejm s PRO 42 Ca 0.61 2.48 0.12 0.00 0.02 0.00 0.00 61.00 64.23 3ejm s PRO 42 Cb -0.27 -3.05 0.91 0.00 0.02 0.00 0.00 34.50 32.10 3ejm s PRO 42 CO 0.34 -0.55 1.86 -0.09 -0.33 0.00 0.00 177.00 178.23 3ejm h ARG 43 N 4.83 0.57 -0.65 5.54 2.43 -1.96 -1.18 114.38 123.96 3ejm h ARG 43 Ca -0.47 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3ejm h ARG 43 Cb 1.22 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3ejm h ARG 43 CO 0.78 0.38 0.32 -0.97 -1.51 0.00 0.00 179.97 178.97 3ejm h ASN 44 N 0.59 0.85 -0.44 -3.80 -0.73 -1.99 0.10 115.58 110.17 3ejm h ASN 44 Ca 0.46 -0.13 0.05 0.00 1.87 0.00 0.00 56.30 58.55 3ejm h ASN 44 Cb 0.87 -0.22 -0.05 0.00 0.27 0.00 0.00 38.32 39.19 3ejm h ASN 44 CO -0.20 0.74 0.18 0.25 -0.37 0.00 0.00 177.43 178.02 3ejm h LEU 45 N 0.90 0.21 -0.60 0.34 5.85 -1.61 -1.20 115.31 119.21 3ejm h LEU 45 Ca 0.23 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3ejm h LEU 45 Cb 0.11 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3ejm h LEU 45 CO -0.03 0.16 0.34 0.40 -0.34 0.00 0.00 178.44 178.97 3ejm h ILE 46 N 0.36 1.19 -0.59 4.05 1.08 -0.90 0.35 117.51 123.05 3ejm h ILE 46 Ca 0.20 -0.45 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 3ejm h ILE 46 Cb 0.17 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 3ejm h ILE 46 CO -0.18 0.20 0.29 -0.33 -0.69 0.00 0.00 178.15 177.43 3ejm h GLU 47 N 0.81 0.82 -0.13 2.37 5.08 -0.62 -1.31 114.58 121.61 3ejm h GLU 47 Ca 0.21 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3ejm h GLU 47 Cb 0.02 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3ejm h GLU 47 CO -0.04 0.63 -0.06 1.96 -1.00 0.00 0.00 179.01 180.51 3ejm h GLN 48 N 0.83 0.27 -0.89 2.33 1.08 -0.76 -1.09 115.11 116.87 3ejm h GLN 48 Ca 0.21 -0.12 0.12 0.00 -1.45 0.00 0.00 58.65 57.41 3ejm h GLN 48 Cb 0.08 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 3ejm h GLN 48 CO -0.03 0.60 0.52 1.25 -0.95 0.00 0.00 178.83 180.22 3ejm h HIS 49 N -0.06 0.93 -0.64 2.96 2.76 -0.44 -1.93 115.15 118.73 3ejm h HIS 49 Ca 0.03 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.04 3ejm h HIS 49 Cb 0.51 -0.28 -0.11 0.00 1.55 0.00 0.00 27.41 29.08 3ejm h HIS 49 CO 0.06 0.33 0.21 0.66 -1.30 0.00 0.00 177.93 177.89 3ejm n TYR 50 N -4.74 2.12 -0.21 5.26 4.02 -0.54 -4.70 117.16 118.37 3ejm n TYR 50 Ca 0.17 -1.22 0.22 0.00 -0.01 0.00 0.00 57.90 57.06 3ejm n TYR 50 Cb 0.36 -0.62 0.59 0.00 -0.02 0.00 0.00 39.34 39.64 3ejm n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3ejm h LYS 51 N 2.34 0.24 0.00 -0.72 2.10 -0.36 0.12 116.57 120.29 3ejm h LYS 51 Ca 0.23 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3ejm h LYS 51 Cb 2.16 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.44 3ejm h LYS 51 CO 0.64 0.16 0.00 0.39 -2.00 0.00 0.00 179.45 178.64 3ejm n GLU 52 N -4.43 0.07 -0.26 0.07 -0.58 -1.26 -2.28 120.64 111.97 3ejm n GLU 52 Ca 0.19 0.30 0.08 0.00 -0.42 0.00 0.00 57.16 57.30 3ejm n GLU 52 Cb 0.79 -1.63 0.22 0.00 -0.57 0.00 0.00 31.44 30.25 3ejm n GLU 52 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ejm n HIS 53 N -1.75 0.68 0.16 -0.32 8.25 0.42 -4.71 115.22 117.95 3ejm n HIS 53 Ca 0.03 -0.52 0.11 0.00 -0.26 0.00 0.00 57.72 57.09 3ejm n HIS 53 Cb 0.20 -0.04 0.63 0.00 1.12 0.00 0.00 29.99 31.91 3ejm n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ejm h SER 54 N 2.81 0.05 0.17 0.41 4.64 -1.48 -0.19 113.55 119.95 3ejm h SER 54 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ejm h SER 54 Cb 0.86 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3ejm h SER 54 CO 0.02 0.03 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.19 3ejm n GLU 55 N -4.49 1.05 -2.49 4.77 -0.58 -1.26 -4.85 120.64 112.79 3ejm n GLU 55 Ca 0.01 -0.62 -0.35 0.00 -0.42 0.00 0.00 57.16 55.78 3ejm n GLU 55 Cb 0.23 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 3ejm n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3ejm s GLN 56 N -2.37 3.84 0.58 3.49 -1.52 -0.08 -4.93 119.66 118.66 3ejm s GLN 56 Ca 0.28 1.46 0.34 0.00 -1.95 0.00 0.00 55.36 55.48 3ejm s GLN 56 Cb 0.20 -2.22 1.80 0.00 -0.22 0.00 0.00 33.01 32.57 3ejm s GLN 56 CO 0.47 -0.42 2.18 0.66 -0.25 0.00 0.00 175.29 177.94 3ejm h SER 57 N 1.79 0.00 0.04 5.90 4.64 -1.91 -2.23 113.55 121.77 3ejm h SER 57 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3ejm h SER 57 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3ejm h SER 57 CO 0.60 0.05 -0.04 0.00 -0.87 0.00 0.00 176.83 176.56 3ejm n TYR 58 N -3.42 0.00 0.15 4.77 0.18 -1.26 -4.53 117.16 113.05 3ejm n TYR 58 Ca -0.02 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.62 3ejm n TYR 58 Cb 0.17 -0.02 -0.07 0.00 -0.38 0.00 0.00 39.34 39.04 3ejm n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3ejm h PHE 59 N 1.99 -0.89 -0.45 -3.48 3.04 -1.62 -0.03 116.94 115.50 3ejm h PHE 59 Ca 0.00 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 3ejm h PHE 59 Cb 0.47 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 3ejm h PHE 59 CO 0.00 -0.45 -0.01 -0.97 -2.02 0.00 0.00 178.31 174.86 3ejm h ASN 60 N -0.60 0.79 -0.93 0.41 -0.73 -1.83 -1.09 115.58 111.60 3ejm h ASN 60 Ca 0.01 -0.31 0.02 0.00 1.87 0.00 0.00 56.30 57.89 3ejm h ASN 60 Cb 0.60 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 3ejm h ASN 60 CO -0.14 0.92 0.61 0.44 -0.37 0.00 0.00 177.43 178.89 3ejm h ASP 61 N 0.65 1.04 -0.55 1.15 3.32 -1.81 -0.35 116.42 119.88 3ejm h ASP 61 Ca 0.13 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3ejm h ASP 61 Cb 0.52 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3ejm h ASP 61 CO 0.03 0.74 0.16 -1.13 -1.72 0.00 0.00 179.24 177.32 3ejm h ASN 62 N 1.23 0.81 -0.62 6.45 -1.24 -0.79 -1.27 115.58 120.14 3ejm h ASN 62 Ca 0.35 -0.21 0.03 0.00 0.71 0.00 0.00 56.30 57.18 3ejm h ASN 62 Cb -0.08 -0.21 -0.04 0.00 0.73 0.00 0.00 38.32 38.71 3ejm h ASN 62 CO -0.09 0.81 0.37 0.00 -1.29 0.00 0.00 177.43 177.23 3ejm h ASP 64 N 0.73 0.19 -0.63 0.00 3.32 -0.83 -1.99 116.42 117.21 3ejm h ASP 64 Ca 0.26 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.36 3ejm h ASP 64 Cb 0.05 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3ejm h ASP 64 CO -0.12 0.15 0.40 0.15 -1.72 0.00 0.00 179.24 178.10 3ejm h PHE 65 N 0.32 0.76 0.00 4.55 3.04 -0.97 -2.51 116.94 122.12 3ejm h PHE 65 Ca 0.16 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 3ejm h PHE 65 Cb 0.10 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 3ejm h PHE 65 CO -0.12 0.45 -0.02 0.52 -2.02 0.00 0.00 178.31 177.12 3ejm h MET 66 N 0.80 0.00 -0.66 1.11 2.86 -0.71 -0.83 114.93 117.50 3ejm h MET 66 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3ejm h MET 66 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 3ejm h MET 66 CO -0.08 0.02 0.00 1.33 1.06 0.00 0.00 176.91 179.24 3ejm n VAL 67 N -3.14 0.93 1.07 -2.22 0.24 -0.79 -4.56 118.33 109.86 3ejm n VAL 67 Ca -0.00 -0.97 0.14 0.00 -2.04 0.00 0.00 64.34 61.47 3ejm n VAL 67 Cb 0.27 0.56 0.60 0.00 -1.47 0.00 0.00 33.84 33.80 3ejm n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3ejm n SER 68 N 1.53 0.07 -1.25 -1.34 3.41 -0.32 -4.83 113.62 110.90 3ejm n SER 68 Ca 0.23 0.30 -0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3ejm n SER 68 Cb 0.60 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3ejm n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ejm n GLY 69 N 1.46 1.38 3.76 5.00 0.00 -1.26 -5.08 105.19 110.45 3ejm n GLY 69 Ca 0.08 -0.97 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3ejm n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ejm s PRO 70 N -2.01 1.84 0.04 1.61 0.02 -1.20 -4.53 135.00 130.77 3ejm s PRO 70 Ca 0.02 0.87 0.02 0.00 0.02 0.00 0.00 61.00 61.93 3ejm s PRO 70 Cb -0.00 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 3ejm s PRO 70 CO 0.01 -1.85 -0.07 0.42 -0.33 0.00 0.00 177.00 175.18 3ejm s ILE 71 N -2.99 0.43 -0.15 2.83 1.01 -0.57 -2.97 121.20 118.78 3ejm s ILE 71 Ca 0.62 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 60.26 3ejm s ILE 71 Cb -0.16 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.80 3ejm s ILE 71 CO 0.56 -0.40 -0.19 -0.63 0.00 0.00 0.00 174.94 174.28 3ejm s ILE 72 N -1.38 2.33 -0.12 2.92 1.01 -1.03 -0.46 121.20 124.47 3ejm s ILE 72 Ca -0.11 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 3ejm s ILE 72 Cb -0.10 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3ejm s ILE 72 CO 0.00 0.53 0.18 -0.94 0.00 0.00 0.00 174.94 174.71 3ejm s SER 73 N 0.84 6.41 -0.01 3.58 1.04 0.80 -0.83 113.70 125.53 3ejm s SER 73 Ca -0.06 0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.86 3ejm s SER 73 Cb -0.15 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.87 3ejm s SER 73 CO -0.02 0.34 -0.02 -0.63 0.98 0.00 0.00 173.24 173.89 3ejm s ILE 74 N -0.71 0.24 -0.26 -1.02 1.01 0.16 -0.45 121.20 120.18 3ejm s ILE 74 Ca 0.15 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 3ejm s ILE 74 Cb -0.12 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 3ejm s ILE 74 CO 0.04 0.10 0.12 -0.69 0.00 0.00 0.00 174.94 174.50 3ejm s VAL 75 N 0.27 4.72 0.09 2.92 1.01 -0.01 -0.53 120.40 128.87 3ejm s VAL 75 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3ejm s VAL 75 Cb -0.05 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3ejm s VAL 75 CO -0.01 0.31 0.07 -0.31 0.00 0.00 0.00 175.10 175.17 3ejm s TYR 76 N 1.60 3.16 0.01 5.22 1.51 -0.54 -0.46 117.35 127.85 3ejm s TYR 76 Ca 0.06 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 3ejm s TYR 76 Cb -0.15 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 3ejm s TYR 76 CO 0.06 0.52 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.90 3ejm s GLU 77 N -2.44 0.88 0.00 -0.62 2.12 -0.59 -1.23 118.70 116.82 3ejm s GLU 77 Ca 0.29 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.11 3ejm s GLU 77 Cb -0.12 -0.85 0.00 0.00 0.26 0.00 0.00 34.13 33.42 3ejm s GLU 77 CO 0.22 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 3ejm n GLY 78 N 2.49 1.91 3.71 -1.50 0.00 -0.75 -2.72 105.19 108.32 3ejm n GLY 78 Ca -0.15 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 3ejm n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ejm s THR 79 N -2.00 2.29 -1.43 2.61 2.01 -1.26 -1.53 115.64 116.32 3ejm s THR 79 Ca 0.00 0.08 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 3ejm s THR 79 Cb 0.00 -3.05 0.11 0.00 0.01 0.00 0.00 72.50 69.57 3ejm s THR 79 CO 0.00 0.00 0.62 0.47 -0.69 0.00 0.00 174.62 175.03 3ejm n ASP 80 N 4.62 -3.50 0.14 3.53 9.92 -1.26 -4.84 116.55 125.16 3ejm n ASP 80 Ca 0.16 -0.64 0.11 0.00 -0.53 0.00 0.00 54.79 53.89 3ejm n ASP 80 Cb 0.37 -2.89 0.62 0.00 -0.64 0.00 0.00 41.12 38.58 3ejm n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ejm h ALA 81 N 0.95 2.09 0.36 2.24 0.00 -1.64 -1.95 119.26 121.30 3ejm h ALA 81 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3ejm h ALA 81 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ejm h ALA 81 CO 0.63 -0.14 -0.17 0.82 0.00 0.00 0.00 179.25 180.39 3ejm h ILE 82 N 0.09 0.56 -0.33 0.00 2.04 -1.88 -0.98 117.51 117.01 3ejm h ILE 82 Ca 0.10 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.22 3ejm h ILE 82 Cb 0.27 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3ejm h ILE 82 CO -0.01 0.10 -0.25 0.77 0.00 0.00 0.00 178.15 178.76 3ejm h SER 83 N -0.87 0.67 -0.34 1.72 4.64 -1.86 -2.24 113.55 115.26 3ejm h SER 83 Ca -0.05 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 3ejm h SER 83 Cb 0.53 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3ejm h SER 83 CO 0.08 0.90 -0.06 0.11 -0.87 0.00 0.00 176.83 176.99 3ejm h LYS 84 N 0.57 0.64 -0.06 4.77 1.57 -1.31 -1.66 116.57 121.10 3ejm h LYS 84 Ca 0.08 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 3ejm h LYS 84 Cb 0.73 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3ejm h LYS 84 CO 0.06 0.80 -0.46 0.82 -0.57 0.00 0.00 179.45 180.10 3ejm h ILE 85 N 0.44 1.33 -0.67 1.86 2.04 -1.14 -1.89 117.51 119.48 3ejm h ILE 85 Ca 0.09 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 3ejm h ILE 85 Cb 0.55 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 3ejm h ILE 85 CO 0.03 0.48 0.37 0.03 0.00 0.00 0.00 178.15 179.06 3ejm h ARG 86 N 0.12 0.92 -0.72 2.37 2.47 -1.13 -0.12 114.38 118.29 3ejm h ARG 86 Ca 0.01 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 3ejm h ARG 86 Cb 0.86 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 3ejm h ARG 86 CO 0.07 0.69 0.22 0.00 0.56 0.00 0.00 179.97 181.51 3ejm h ARG 87 N 0.91 1.13 -0.37 0.04 3.08 -0.75 -2.66 114.38 115.76 3ejm h ARG 87 Ca 0.24 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3ejm h ARG 87 Cb 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3ejm h ARG 87 CO -0.04 0.96 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.75 3ejm h LEU 88 N 1.07 0.55 -0.10 3.04 3.38 -1.01 -3.13 115.31 119.11 3ejm h LEU 88 Ca 0.23 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ejm h LEU 88 Cb 0.31 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ejm h LEU 88 CO -0.01 0.62 0.06 -0.61 0.09 0.00 0.00 178.44 178.59 3ejm h GLN 89 N 0.55 0.13 0.00 1.13 4.15 -0.70 0.16 115.11 120.54 3ejm h GLN 89 Ca 0.12 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3ejm h GLN 89 Cb 0.37 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3ejm h GLN 89 CO 0.01 0.15 0.00 0.41 -1.93 0.00 0.00 178.83 177.47 3ejm n GLY 90 N -0.95 0.78 3.75 2.39 0.00 -1.04 -0.60 105.19 109.53 3ejm n GLY 90 Ca -0.05 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 3ejm n GLY 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ejm s ASN 91 N -1.18 5.27 0.40 1.61 3.84 -1.26 -4.84 114.94 118.78 3ejm s ASN 91 Ca 0.00 2.58 0.07 0.00 0.21 0.00 0.00 52.86 55.72 3ejm s ASN 91 Cb 0.00 -2.62 0.83 0.00 -0.55 0.00 0.00 41.25 38.91 3ejm s ASN 91 CO 0.00 -1.55 2.05 0.74 -2.79 0.00 0.00 177.10 175.54 3ejm h THR 92 N 1.22 1.10 -3.40 -5.21 2.02 -1.95 -3.39 112.91 103.30 3ejm h THR 92 Ca -0.51 -0.21 -0.59 0.00 0.77 0.00 0.00 66.41 65.88 3ejm h THR 92 Cb 1.30 0.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.07 3ejm h THR 92 CO 0.56 0.11 0.15 0.21 0.37 0.00 0.00 175.52 176.92 3ejm s ASN 93 N -6.62 6.72 0.35 4.18 2.47 -1.26 -4.46 114.94 116.32 3ejm s ASN 93 Ca -0.09 0.88 0.26 0.00 0.42 0.00 0.00 52.86 54.33 3ejm s ASN 93 Cb 0.18 -2.36 1.21 0.00 -1.45 0.00 0.00 41.25 38.83 3ejm s ASN 93 CO 0.74 -0.28 1.78 -0.65 -3.72 0.00 0.00 177.10 174.97 3ejm h PRO 94 N 7.45 0.00 0.00 0.43 0.11 -1.85 0.22 132.00 138.36 3ejm h PRO 94 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3ejm h PRO 94 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ejm h PRO 94 CO 0.78 0.00 -0.09 1.28 -0.21 0.00 0.00 178.00 179.76 3ejm n LEU 95 N -2.41 0.17 0.00 2.35 4.77 -1.26 -4.29 117.00 116.32 3ejm n LEU 95 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3ejm n LEU 95 Cb 0.16 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3ejm n LEU 95 CO 0.17 0.00 -0.48 0.00 -1.33 0.00 0.00 177.39 175.75 3ejm n ALA 96 N -1.53 1.95 -1.82 -1.18 0.00 0.65 -5.05 120.51 113.53 3ejm n ALA 96 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 3ejm n ALA 96 Cb 0.35 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 3ejm n ALA 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ejm s SER 97 N -2.59 6.47 0.05 0.00 1.04 -0.41 -4.76 113.70 113.51 3ejm s SER 97 Ca 0.00 2.78 -0.29 0.00 0.48 0.00 0.00 55.95 58.93 3ejm s SER 97 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 3ejm s SER 97 CO 0.00 -0.89 0.91 0.00 0.98 0.00 0.00 173.24 174.24 3ejm s ALA 98 N 0.81 3.25 0.23 5.32 0.00 -1.26 -4.46 121.76 125.64 3ejm s ALA 98 Ca 0.69 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 3ejm s ALA 98 Cb -0.47 -3.22 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 3ejm s ALA 98 CO 0.36 -0.08 1.12 -2.30 0.00 0.00 0.00 175.76 174.86 3ejm n PRO 99 N 3.20 1.32 0.00 0.00 -0.02 -1.26 -0.94 135.00 137.30 3ejm n PRO 99 Ca 0.02 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3ejm n PRO 99 Cb 0.50 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3ejm n PRO 99 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ejm n GLY 100 N 1.71 2.99 3.92 -1.23 0.00 -1.26 -4.95 105.19 106.36 3ejm n GLY 100 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3ejm n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ejm s THR 101 N -2.77 4.09 0.08 2.61 -4.23 -0.11 -4.92 115.64 110.39 3ejm s THR 101 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.19 3ejm s THR 101 Cb 0.00 -3.59 -0.17 0.00 1.34 0.00 0.00 72.50 70.09 3ejm s THR 101 CO 0.00 -0.57 1.61 0.40 -0.54 0.00 0.00 174.62 175.52 3ejm h ILE 102 N 0.02 0.28 -0.60 2.99 2.04 -0.59 -0.91 117.51 120.74 3ejm h ILE 102 Ca -0.46 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3ejm h ILE 102 Cb 1.24 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3ejm h ILE 102 CO 0.61 0.00 0.21 0.03 0.00 0.00 0.00 178.15 178.99 3ejm h ARG 103 N -0.86 0.90 -0.48 2.37 3.08 -1.09 -1.29 114.38 117.02 3ejm h ARG 103 Ca -0.06 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 3ejm h ARG 103 Cb 0.71 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3ejm h ARG 103 CO 0.05 0.76 0.08 0.78 -1.07 0.00 0.00 179.97 180.57 3ejm h GLY 104 N 1.00 0.79 1.34 0.04 0.00 -1.61 -1.29 103.07 103.34 3ejm h GLY 104 Ca 0.20 -0.47 -0.27 0.00 0.00 0.00 0.00 47.33 46.79 3ejm h GLY 104 CO -0.01 0.44 -1.46 -0.55 0.00 0.00 0.00 176.54 174.96 3ejm h ASP 105 N 0.71 0.12 0.00 0.19 3.32 -1.03 -3.41 116.42 116.32 3ejm h ASP 105 Ca 0.15 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ejm h ASP 105 Cb 0.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3ejm h ASP 105 CO 0.00 1.15 -0.87 0.18 -1.72 0.00 0.00 179.24 177.99 3ejm n LEU 106 N -3.26 0.00 -4.89 1.55 4.77 -0.50 -5.04 117.00 109.63 3ejm n LEU 106 Ca -0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.51 3ejm n LEU 106 Cb 1.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.05 3ejm n LEU 106 CO 0.47 0.00 -0.17 0.00 -1.33 0.00 0.00 177.39 176.36 3ejm s ALA 107 N -1.79 3.90 -0.05 -1.18 0.00 -0.49 -5.00 121.76 117.15 3ejm s ALA 107 Ca 0.00 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.32 3ejm s ALA 107 Cb 0.00 -1.91 0.11 0.00 0.00 0.00 0.00 23.12 21.32 3ejm s ALA 107 CO 0.00 0.68 0.98 -1.71 0.00 0.00 0.00 175.76 175.71 3ejm n ASN 108 N 1.47 1.29 -3.87 0.00 5.15 -1.26 -4.76 115.26 113.27 3ejm n ASN 108 Ca -0.15 -2.24 -0.11 0.00 -0.60 0.00 0.00 54.58 51.47 3ejm n ASN 108 Cb 0.54 -0.21 -0.10 0.00 -0.53 0.00 0.00 39.78 39.48 3ejm n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3ejm s ASP 109 N -1.53 0.03 0.39 1.20 -1.08 -1.25 -4.95 116.67 109.47 3ejm s ASP 109 Ca 0.12 -0.22 0.21 0.00 -0.52 0.00 0.00 52.55 52.13 3ejm s ASP 109 Cb 0.10 0.21 0.61 0.00 -1.46 0.00 0.00 42.92 42.38 3ejm s ASP 109 CO 0.01 -0.38 1.69 -0.29 0.52 0.00 0.00 175.17 176.72 3ejm h ILE 110 N 4.21 0.65 0.00 4.11 2.10 -1.98 -3.36 117.51 123.24 3ejm h ILE 110 Ca -0.31 -1.48 -0.25 0.00 1.08 0.00 0.00 64.86 63.90 3ejm h ILE 110 Cb 1.19 1.99 -0.04 0.00 -1.09 0.00 0.00 36.82 38.87 3ejm h ILE 110 CO 0.41 0.31 -1.61 -1.14 -1.08 0.00 0.00 178.15 175.03 3ejm n ARG 111 N -3.35 0.55 -2.58 2.19 0.63 -1.26 -4.65 116.66 108.20 3ejm n ARG 111 Ca 0.01 0.37 -0.43 0.00 -0.92 0.00 0.00 57.85 56.88 3ejm n ARG 111 Cb 0.53 -1.58 -0.00 0.00 0.45 0.00 0.00 32.46 31.86 3ejm n ARG 111 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3ejm s GLU 112 N -2.51 3.93 -0.13 -0.14 2.02 -1.26 -4.69 118.70 115.92 3ejm s GLU 112 Ca -0.31 -1.88 0.17 0.00 0.02 0.00 0.00 54.97 52.97 3ejm s GLU 112 Cb 0.09 -5.51 0.30 0.00 0.10 0.00 0.00 34.13 29.10 3ejm s GLU 112 CO 0.47 -2.26 1.15 0.27 0.02 0.00 0.00 175.26 174.91 3ejm n ASN 113 N 8.48 2.10 0.00 -0.19 0.23 -1.26 -3.92 115.26 120.70 3ejm n ASN 113 Ca 0.47 -3.15 0.00 0.00 -0.53 0.00 0.00 54.58 51.36 3ejm n ASN 113 Cb 0.47 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3ejm n ASN 113 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3ejm n LEU 114 N -1.28 0.00 -3.68 -4.53 4.77 -1.26 -4.82 117.00 106.19 3ejm n LEU 114 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 3ejm n LEU 114 Cb 0.66 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 3ejm n LEU 114 CO 0.00 0.00 0.21 -0.51 -1.33 0.00 0.00 177.39 175.77 3ejm s ILE 115 N 0.00 -0.00 -0.06 -0.08 2.07 -1.26 -1.07 121.20 120.80 3ejm s ILE 115 Ca 0.00 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.24 3ejm s ILE 115 Cb 0.00 -0.77 -0.04 0.00 0.13 0.00 0.00 42.46 41.79 3ejm s ILE 115 CO 0.00 0.01 0.06 -2.28 -1.91 0.00 0.00 174.94 170.82 3ejm s HIS 116 N 0.69 3.29 0.01 3.50 5.65 -0.10 -4.96 115.29 123.37 3ejm s HIS 116 Ca -0.03 0.26 0.01 0.00 0.25 0.00 0.00 55.06 55.54 3ejm s HIS 116 Cb -0.05 -1.79 -0.01 0.00 -1.18 0.00 0.00 32.58 29.55 3ejm s HIS 116 CO -0.05 0.55 -0.03 0.00 -0.65 0.00 0.00 174.74 174.56 3ejm s ALA 117 N -1.04 0.24 0.40 1.58 0.00 -1.26 -1.25 121.76 120.43 3ejm s ALA 117 Ca 0.18 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.64 3ejm s ALA 117 Cb -0.12 -0.02 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 3ejm s ALA 117 CO 0.08 0.02 1.40 0.43 0.00 0.00 0.00 175.76 177.69 3ejm n SER 118 N 2.69 3.26 -0.03 0.00 7.64 -0.87 -4.92 113.62 121.39 3ejm n SER 118 Ca -0.15 1.17 0.11 0.00 1.01 0.00 0.00 58.87 61.01 3ejm n SER 118 Cb 0.58 -1.57 0.12 0.00 -1.01 0.00 0.00 64.21 62.33 3ejm n SER 118 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3ejm n ASP 119 N 0.25 0.75 -3.59 6.43 5.68 -1.26 -4.78 116.55 120.03 3ejm n ASP 119 Ca 0.04 -0.58 -0.10 0.00 -0.50 0.00 0.00 54.79 53.65 3ejm n ASP 119 Cb 0.39 0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 40.86 3ejm n ASP 119 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3ejm s SER 120 N -2.96 -0.43 0.24 -1.12 1.04 -1.26 -4.92 113.70 104.29 3ejm s SER 120 Ca 0.11 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 3ejm s SER 120 Cb 0.17 0.62 0.33 0.00 0.10 0.00 0.00 66.02 67.24 3ejm s SER 120 CO 0.74 -1.07 1.86 -0.33 0.98 0.00 0.00 173.24 175.42 3ejm h GLU 121 N 2.00 0.97 -0.11 4.02 5.08 -1.95 0.23 114.58 124.83 3ejm h GLU 121 Ca -0.28 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3ejm h GLU 121 Cb 1.28 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3ejm h GLU 121 CO 0.32 0.64 0.06 -0.44 -1.00 0.00 0.00 179.01 178.59 3ejm h ASP 122 N 1.00 0.13 0.26 1.42 3.32 -2.00 -2.42 116.42 118.14 3ejm h ASP 122 Ca 0.37 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.20 3ejm h ASP 122 Cb 0.14 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3ejm h ASP 122 CO -0.16 0.18 -0.53 0.77 -1.72 0.00 0.00 179.24 177.77 3ejm h SER 123 N 0.08 0.33 -0.23 6.45 4.64 -1.88 -2.97 113.55 119.97 3ejm h SER 123 Ca 0.04 -0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.23 3ejm h SER 123 Cb 0.07 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 3ejm h SER 123 CO -0.01 0.80 -0.05 0.00 -0.87 0.00 0.00 176.83 176.70 3ejm h ALA 124 N 1.21 0.16 -0.48 5.18 0.00 -0.37 0.87 119.26 125.83 3ejm h ALA 124 Ca 0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3ejm h ALA 124 Cb 1.01 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3ejm h ALA 124 CO 0.09 -0.47 0.20 0.28 0.00 0.00 0.00 179.25 179.35 3ejm h VAL 125 N 0.00 0.89 0.31 0.00 2.07 -1.39 0.14 116.25 118.28 3ejm h VAL 125 Ca 0.11 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3ejm h VAL 125 Cb 0.17 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3ejm h VAL 125 CO -0.24 0.07 -0.30 -0.78 0.02 0.00 0.00 177.57 176.35 3ejm h ASP 126 N 0.40 -0.80 -0.56 0.57 1.82 -1.31 -2.29 116.42 114.24 3ejm h ASP 126 Ca 0.22 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.87 3ejm h ASP 126 Cb 0.19 0.27 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 3ejm h ASP 126 CO -0.20 -0.43 0.12 -0.33 -1.61 0.00 0.00 179.24 176.78 3ejm h GLU 127 N -0.64 0.92 -0.97 0.28 5.08 -0.55 -1.89 114.58 116.82 3ejm h GLU 127 Ca -0.02 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3ejm h GLU 127 Cb 0.58 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3ejm h GLU 127 CO -0.05 0.87 0.63 0.82 -1.00 0.00 0.00 179.01 180.28 3ejm h ILE 128 N 0.82 1.13 0.00 3.13 2.04 -0.68 -1.70 117.51 122.25 3ejm h ILE 128 Ca 0.17 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3ejm h ILE 128 Cb 0.38 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3ejm h ILE 128 CO 0.01 0.22 -0.27 0.77 0.00 0.00 0.00 178.15 178.87 3ejm h SER 129 N 1.18 0.00 -0.10 1.72 4.64 -1.05 0.20 113.55 120.15 3ejm h SER 129 Ca 0.40 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.67 3ejm h SER 129 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ejm h SER 129 CO -0.14 0.27 -0.14 0.40 -0.87 0.00 0.00 176.83 176.35 3ejm h ILE 130 N 0.00 1.38 0.00 0.95 2.04 -0.56 -3.08 117.51 118.24 3ejm h ILE 130 Ca -0.00 -1.37 -0.17 0.00 1.00 0.00 0.00 64.86 64.32 3ejm h ILE 130 Cb 0.89 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3ejm h ILE 130 CO 0.04 0.39 -1.24 -0.50 0.00 0.00 0.00 178.15 176.84 3ejm h TRP 131 N -0.17 0.00 -2.07 1.37 4.06 -1.26 -3.39 115.95 114.50 3ejm h TRP 131 Ca 0.01 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.40 3ejm h TRP 131 Cb 0.69 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.45 3ejm h TRP 131 CO 0.10 0.64 -0.95 1.19 -3.56 0.00 0.00 178.44 175.85 3ejm n PHE 132 N -3.00 1.05 -0.28 0.49 3.72 0.69 -4.98 117.46 115.15 3ejm n PHE 132 Ca -0.07 -3.78 -0.03 0.00 -0.05 0.00 0.00 57.45 53.52 3ejm n PHE 132 Cb 0.85 -0.42 0.09 0.00 -0.94 0.00 0.00 39.48 39.06 3ejm n PHE 132 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ejm h PRO 133 N 3.86 0.92 0.00 -1.08 0.11 -1.70 -3.40 132.00 130.71 3ejm h PRO 133 Ca 0.11 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3ejm h PRO 133 Cb 0.81 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3ejm h PRO 133 CO 0.59 0.61 0.00 0.39 -0.21 0.00 0.00 178.00 179.38