#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bje s LEU 6 N 0.00 3.83 0.20 -0.89 1.43 -1.26 0.34 118.68 122.32 2bje s LEU 6 Ca 0.00 0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2bje s LEU 6 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2bje s LEU 6 CO 0.00 0.37 0.23 -0.54 0.23 0.00 0.00 176.35 176.64 2bje s LYS 7 N -0.81 1.24 0.08 1.70 1.02 0.00 -4.41 119.74 118.57 2bje s LYS 7 Ca 0.13 -1.45 0.06 0.00 0.02 0.00 0.00 55.97 54.73 2bje s LYS 7 Cb -0.12 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2bje s LYS 7 CO 0.03 -0.44 -0.09 0.50 -0.92 0.00 0.00 175.35 174.43 2bje s ARG 8 N -4.08 2.26 -0.03 1.68 3.52 0.84 -2.29 118.95 120.84 2bje s ARG 8 Ca 0.30 -0.94 0.02 0.00 -0.13 0.00 0.00 55.73 54.98 2bje s ARG 8 Cb 0.05 -2.36 0.01 0.00 -1.56 0.00 0.00 34.95 31.08 2bje s ARG 8 CO 0.08 0.53 -0.09 1.41 -0.81 0.00 0.00 175.30 176.43 2bje s MET 9 N -2.01 1.01 -0.11 5.12 -2.45 0.26 -0.36 119.30 120.75 2bje s MET 9 Ca 0.21 -0.29 -0.05 0.00 -1.25 0.00 0.00 55.69 54.30 2bje s MET 9 Cb -0.11 -0.93 -0.04 0.00 1.25 0.00 0.00 34.83 35.00 2bje s MET 9 CO 0.12 0.09 0.07 -0.47 1.05 0.00 0.00 175.02 175.88 2bje s TYR 10 N 0.30 3.36 0.01 4.11 5.04 -0.27 -1.09 117.35 128.81 2bje s TYR 10 Ca -0.05 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 54.91 2bje s TYR 10 Cb -0.10 -1.89 -0.01 0.00 0.35 0.00 0.00 41.96 40.32 2bje s TYR 10 CO 0.01 0.54 -0.04 0.00 -1.34 0.00 0.00 175.55 174.72 2bje s ALA 11 N -0.78 0.32 -0.16 3.97 0.00 0.54 -1.26 121.76 124.39 2bje s ALA 11 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2bje s ALA 11 Cb -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2bje s ALA 11 CO 0.03 0.04 -0.21 0.50 0.00 0.00 0.00 175.76 176.12 2bje s ARG 12 N -0.41 2.95 -0.16 0.00 6.06 0.93 0.02 118.95 128.34 2bje s ARG 12 Ca -0.02 -0.82 -0.03 0.00 -2.50 0.00 0.00 55.73 52.36 2bje s ARG 12 Cb -0.03 -2.46 -0.02 0.00 0.06 0.00 0.00 34.95 32.50 2bje s ARG 12 CO -0.00 -0.11 -0.06 0.08 -2.50 0.00 0.00 175.30 172.71 2bje s VAL 13 N 1.05 3.56 0.12 7.11 1.01 1.00 -0.36 120.40 133.89 2bje s VAL 13 Ca -0.01 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2bje s VAL 13 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2bje s VAL 13 CO -0.07 0.48 -0.10 -0.31 0.00 0.00 0.00 175.10 175.10 2bje s TYR 14 N 0.61 2.71 -2.45 5.22 1.51 0.47 -1.46 117.35 123.95 2bje s TYR 14 Ca -0.04 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 2bje s TYR 14 Cb -0.15 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 2bje s TYR 14 CO 0.03 0.44 0.00 0.41 -1.11 0.00 0.00 175.55 175.32 2bje n GLY 15 N 0.57 0.54 3.44 0.71 0.00 -1.26 -0.57 105.19 108.61 2bje n GLY 15 Ca -0.13 -1.58 -0.44 0.00 0.00 0.00 0.00 46.02 43.86 2bje n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bje s LEU 16 N 0.00 5.27 0.00 0.99 2.96 0.24 -4.74 118.68 123.39 2bje s LEU 16 Ca 0.00 -2.50 0.00 0.00 -0.22 0.00 0.00 54.13 51.41 2bje s LEU 16 Cb 0.00 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 44.32 2bje s LEU 16 CO 0.00 -0.88 0.35 1.33 -1.32 0.00 0.00 176.35 175.84 2bje n VAL 17 N 4.93 0.00 -4.82 1.68 0.24 -1.26 -1.77 118.33 117.32 2bje n VAL 17 Ca 0.27 -0.37 -0.33 0.00 -2.04 0.00 0.00 64.34 61.87 2bje n VAL 17 Cb 0.46 1.24 -0.13 0.00 -1.47 0.00 0.00 33.84 33.94 2bje n VAL 17 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2bje s GLN 18 N -0.04 2.51 0.00 7.34 -0.21 -1.26 -4.51 119.66 123.49 2bje s GLN 18 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.69 2bje s GLN 18 Cb 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.61 2bje s GLN 18 CO 0.00 0.62 0.00 0.41 -2.12 0.00 0.00 175.29 174.20 2bje n GLY 19 N 2.21 0.76 0.06 3.09 0.00 -1.26 -4.86 105.19 105.19 2bje n GLY 19 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.89 2bje n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bje n VAL 20 N -2.19 1.19 -0.25 1.61 0.24 -1.26 -4.97 118.33 112.69 2bje n VAL 20 Ca 0.00 -1.34 0.00 0.00 -2.04 0.00 0.00 64.34 60.96 2bje n VAL 20 Cb 0.00 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 2bje n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bje n GLY 21 N -0.79 0.85 0.13 7.63 0.00 -1.26 -4.59 105.19 107.16 2bje n GLY 21 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 2bje n GLY 21 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bje h PHE 22 N 0.00 0.42 -0.61 1.61 3.04 -1.94 0.97 116.94 120.43 2bje h PHE 22 Ca 0.00 -0.14 -0.08 0.00 3.98 0.00 0.00 57.97 61.72 2bje h PHE 22 Cb 0.00 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 2bje h PHE 22 CO 0.00 0.80 0.04 0.00 -2.02 0.00 0.00 178.31 177.13 2bje h ARG 23 N -0.08 1.03 0.00 1.11 3.08 -1.94 0.09 114.38 117.67 2bje h ARG 23 Ca 0.01 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 2bje h ARG 23 Cb 0.76 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 2bje h ARG 23 CO 0.04 0.98 -0.38 0.87 -1.07 0.00 0.00 179.97 180.41 2bje h LYS 24 N 0.95 0.00 0.03 0.04 1.57 -1.96 -0.42 116.57 116.79 2bje h LYS 24 Ca 0.18 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2bje h LYS 24 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2bje h LYS 24 CO 0.02 0.38 -0.01 0.35 -0.57 0.00 0.00 179.45 179.62 2bje h PHE 25 N 0.00 -0.03 -0.68 -1.35 3.57 -0.23 0.14 116.94 118.36 2bje h PHE 25 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 2bje h PHE 25 Cb 0.84 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 2bje h PHE 25 CO 0.00 0.33 0.39 0.28 -2.23 0.00 0.00 178.31 177.08 2bje h VAL 26 N -0.40 0.99 -0.05 1.41 2.07 -0.89 -1.44 116.25 117.93 2bje h VAL 26 Ca -0.00 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2bje h VAL 26 Cb 0.38 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2bje h VAL 26 CO 0.01 0.13 0.01 -0.61 0.02 0.00 0.00 177.57 177.13 2bje h GLN 27 N 0.72 0.09 -0.68 1.57 4.15 -0.81 0.33 115.11 120.48 2bje h GLN 27 Ca 0.30 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.79 2bje h GLN 27 Cb 0.16 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.77 2bje h GLN 27 CO -0.17 0.28 0.33 0.82 -1.93 0.00 0.00 178.83 178.16 2bje h ILE 28 N -0.12 0.86 -0.08 2.39 2.04 -0.42 -0.50 117.51 121.69 2bje h ILE 28 Ca 0.02 -0.20 -0.19 0.00 1.00 0.00 0.00 64.86 65.49 2bje h ILE 28 Cb 0.23 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2bje h ILE 28 CO -0.00 0.11 -0.76 0.45 0.00 0.00 0.00 178.15 177.95 2bje h HIS 29 N 0.58 0.60 -0.73 1.37 3.86 -0.70 -2.23 115.15 117.91 2bje h HIS 29 Ca 0.33 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2bje h HIS 29 Cb 0.33 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2bje h HIS 29 CO -0.11 1.04 0.40 0.00 0.86 0.00 0.00 177.93 180.12 2bje h ALA 30 N 0.88 0.94 -0.37 2.45 0.00 -0.07 -2.28 119.26 120.80 2bje h ALA 30 Ca -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2bje h ALA 30 Cb 1.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2bje h ALA 30 CO 0.13 0.45 0.08 0.82 0.00 0.00 0.00 179.25 180.73 2bje h ILE 31 N 1.01 1.23 -0.19 0.00 2.04 -0.96 0.13 117.51 120.77 2bje h ILE 31 Ca 0.26 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.37 2bje h ILE 31 Cb 0.04 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2bje h ILE 31 CO -0.04 0.27 0.22 0.03 0.00 0.00 0.00 178.15 178.63 2bje h ARG 32 N 0.46 0.00 -0.26 2.37 3.08 -1.13 0.12 114.38 119.01 2bje h ARG 32 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2bje h ARG 32 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2bje h ARG 32 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2bje n LEU 33 N -3.75 3.07 -1.56 3.04 4.77 -0.67 -4.97 117.00 116.93 2bje n LEU 33 Ca 0.02 -1.40 -0.14 0.00 -0.03 0.00 0.00 56.01 54.47 2bje n LEU 33 Cb 0.34 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2bje n LEU 33 CO 0.27 0.64 -0.17 0.61 -1.33 0.00 0.00 177.39 177.41 2bje n GLY 34 N 1.21 -0.19 3.89 -0.72 0.00 0.42 -4.85 105.19 104.95 2bje n GLY 34 Ca 0.15 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2bje n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bje s ILE 35 N -2.69 5.31 0.20 -0.61 1.01 0.34 -4.84 121.20 119.92 2bje s ILE 35 Ca 0.01 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.76 2bje s ILE 35 Cb -0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2bje s ILE 35 CO 0.01 0.28 -0.12 -0.54 0.00 0.00 0.00 174.94 174.56 2bje s LYS 36 N -2.03 1.29 0.00 2.79 1.02 -0.45 -4.35 119.74 118.01 2bje s LYS 36 Ca 0.31 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.72 2bje s LYS 36 Cb -0.13 -1.01 0.00 0.00 -0.52 0.00 0.00 37.83 36.18 2bje s LYS 36 CO 0.19 0.14 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 2bje n GLY 37 N -0.36 0.52 3.58 -3.33 0.00 0.20 0.64 105.19 106.44 2bje n GLY 37 Ca -0.08 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 2bje n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bje s TYR 38 N -2.25 -0.33 -0.08 1.61 -0.85 0.86 -0.75 117.35 115.56 2bje s TYR 38 Ca 0.00 0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.69 2bje s TYR 38 Cb 0.00 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.93 2bje s TYR 38 CO 0.00 -0.77 -0.20 0.00 -1.52 0.00 0.00 175.55 173.06 2bje s ALA 39 N -3.42 1.81 -0.02 9.51 0.00 -0.78 -0.65 121.76 128.22 2bje s ALA 39 Ca 0.06 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2bje s ALA 39 Cb -0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2bje s ALA 39 CO -0.06 0.25 -0.12 0.21 0.00 0.00 0.00 175.76 176.05 2bje s LYS 40 N 0.33 1.07 0.34 0.00 2.20 0.08 -0.42 119.74 123.35 2bje s LYS 40 Ca -0.14 -0.42 -0.28 0.00 -0.36 0.00 0.00 55.97 54.77 2bje s LYS 40 Cb -0.16 -1.01 -0.10 0.00 -1.51 0.00 0.00 37.83 35.05 2bje s LYS 40 CO 0.06 0.22 1.24 -0.80 -0.36 0.00 0.00 175.35 175.72 2bje s ASN 41 N -0.13 6.76 0.08 1.43 0.02 -0.02 -1.05 114.94 122.03 2bje s ASN 41 Ca 0.02 2.55 0.03 0.00 -1.02 0.00 0.00 52.86 54.44 2bje s ASN 41 Cb -0.06 -2.64 -0.04 0.00 0.02 0.00 0.00 41.25 38.53 2bje s ASN 41 CO 0.00 -0.53 0.10 -0.76 0.02 0.00 0.00 177.10 175.93 2bje s LEU 42 N -1.94 3.87 0.53 0.60 1.43 -0.44 -4.95 118.68 117.79 2bje s LEU 42 Ca 0.51 0.02 0.35 0.00 -1.03 0.00 0.00 54.13 53.98 2bje s LEU 42 Cb -0.37 -2.54 1.71 0.00 0.03 0.00 0.00 46.19 45.03 2bje s LEU 42 CO 0.48 0.17 2.06 1.55 0.23 0.00 0.00 176.35 180.84 2bje h PRO 43 N 3.22 0.00 0.00 1.29 0.13 -1.96 -2.39 132.00 132.28 2bje h PRO 43 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2bje h PRO 43 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2bje h PRO 43 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 2bje n ASP 44 N -2.88 0.00 0.00 1.44 5.75 -1.26 -4.88 116.55 114.72 2bje n ASP 44 Ca -0.01 -0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 2bje n ASP 44 Cb 0.17 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 2bje n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bje n GLY 45 N 1.09 0.63 4.00 6.12 0.00 -0.90 -5.11 105.19 111.03 2bje n GLY 45 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2bje n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bje s SER 46 N -1.97 5.02 0.03 1.61 1.04 -1.26 -4.37 113.70 113.81 2bje s SER 46 Ca 0.00 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.10 2bje s SER 46 Cb 0.00 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 2bje s SER 46 CO 0.00 -1.34 -0.18 -0.69 0.98 0.00 0.00 173.24 172.00 2bje s VAL 47 N -2.78 1.47 0.04 5.02 1.01 -0.53 -1.33 120.40 123.29 2bje s VAL 47 Ca 0.61 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.60 2bje s VAL 47 Cb -0.08 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2bje s VAL 47 CO 0.39 0.19 -0.23 -1.83 0.00 0.00 0.00 175.10 173.62 2bje s GLU 48 N -1.03 1.94 -0.07 2.72 -1.05 -0.21 -0.00 118.70 121.00 2bje s GLU 48 Ca 0.06 -1.04 0.04 0.00 -0.15 0.00 0.00 54.97 53.87 2bje s GLU 48 Cb -0.08 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 2bje s GLU 48 CO 0.01 0.53 -0.18 0.08 0.95 0.00 0.00 175.26 176.65 2bje s VAL 49 N -0.83 1.58 -0.10 1.83 1.01 0.10 -0.74 120.40 123.25 2bje s VAL 49 Ca 0.13 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2bje s VAL 49 Cb -0.10 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2bje s VAL 49 CO 0.03 0.45 -0.21 -0.69 0.00 0.00 0.00 175.10 174.68 2bje s VAL 50 N 0.36 1.87 -0.05 2.92 1.01 0.18 -0.34 120.40 126.36 2bje s VAL 50 Ca -0.13 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 2bje s VAL 50 Cb -0.15 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.62 2bje s VAL 50 CO 0.05 0.52 0.12 0.00 0.00 0.00 0.00 175.10 175.79 2bje s ALA 51 N 0.50 -0.24 0.09 5.51 0.00 -0.25 -0.10 121.76 127.29 2bje s ALA 51 Ca -0.16 0.52 0.09 0.00 0.00 0.00 0.00 51.96 52.41 2bje s ALA 51 Cb -0.17 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2bje s ALA 51 CO 0.06 -0.12 -0.22 -1.21 0.00 0.00 0.00 175.76 174.27 2bje s GLU 52 N 0.79 1.25 0.00 0.00 2.02 0.21 -0.58 118.70 122.39 2bje s GLU 52 Ca -0.06 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.77 2bje s GLU 52 Cb -0.08 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.63 2bje s GLU 52 CO -0.04 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.02 2bje n GLY 53 N 1.21 -0.58 3.76 -1.39 0.00 -0.97 -1.34 105.19 105.89 2bje n GLY 53 Ca -0.19 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 2bje n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bje s TYR 54 N -3.00 2.65 0.24 1.61 1.51 -1.26 -0.82 117.35 118.28 2bje s TYR 54 Ca 0.00 1.50 -0.03 0.00 -1.01 0.00 0.00 57.07 57.53 2bje s TYR 54 Cb 0.00 -3.47 0.28 0.00 -0.11 0.00 0.00 41.96 38.66 2bje s TYR 54 CO 0.00 -1.91 1.74 0.93 -1.11 0.00 0.00 175.55 175.20 2bje h GLU 55 N 1.61 0.85 -0.06 -0.62 5.08 -0.44 -0.03 114.58 120.97 2bje h GLU 55 Ca -0.50 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 57.52 2bje h GLU 55 Cb 1.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2bje h GLU 55 CO 0.58 0.85 -0.42 1.05 -1.00 0.00 0.00 179.01 180.07 2bje h GLU 56 N 0.79 0.14 -0.42 2.33 4.11 -1.90 -0.09 114.58 119.53 2bje h GLU 56 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 2bje h GLU 56 Cb 0.47 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2bje h GLU 56 CO 0.02 0.54 0.24 0.00 0.07 0.00 0.00 179.01 179.88 2bje h ALA 57 N 1.46 0.54 -0.41 1.06 0.00 -1.60 -1.96 119.26 118.35 2bje h ALA 57 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2bje h ALA 57 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bje h ALA 57 CO 0.06 0.05 -0.05 -0.07 0.00 0.00 0.00 179.25 179.24 2bje h LEU 58 N 0.55 0.75 -0.53 0.00 3.38 -0.58 0.11 115.31 118.99 2bje h LEU 58 Ca 0.15 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 57.88 2bje h LEU 58 Cb 0.03 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.49 2bje h LEU 58 CO -0.03 0.91 0.04 -1.28 0.09 0.00 0.00 178.44 178.17 2bje h SER 59 N 0.57 -0.15 -0.70 -0.43 0.87 -0.88 0.66 113.55 113.49 2bje h SER 59 Ca 0.11 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2bje h SER 59 Cb 0.56 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 2bje h SER 59 CO 0.03 -0.05 0.36 0.50 -0.53 0.00 0.00 176.83 177.14 2bje h LYS 60 N 0.16 1.00 -0.58 2.24 3.64 -1.09 -2.40 116.57 119.55 2bje h LYS 60 Ca 0.27 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2bje h LYS 60 Cb 0.41 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2bje h LYS 60 CO -0.42 0.77 0.13 1.25 -2.27 0.00 0.00 179.45 178.92 2bje h LEU 61 N 0.98 0.84 -0.55 5.20 5.85 0.09 -2.15 115.31 125.57 2bje h LEU 61 Ca 0.24 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2bje h LEU 61 Cb 0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2bje h LEU 61 CO -0.03 0.82 0.25 0.25 -0.34 0.00 0.00 178.44 179.39 2bje h LEU 62 N 0.86 0.73 -1.45 2.25 5.85 -0.68 0.17 115.31 123.04 2bje h LEU 62 Ca 0.18 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2bje h LEU 62 Cb 0.32 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2bje h LEU 62 CO 0.00 0.67 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.37 2bje h GLU 63 N 0.74 0.28 -0.21 1.25 3.07 -1.18 0.20 114.58 118.73 2bje h GLU 63 Ca 0.19 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.89 2bje h GLU 63 Cb 0.14 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2bje h GLU 63 CO -0.02 0.36 -0.29 0.00 -1.40 0.00 0.00 179.01 177.67 2bje h ARG 64 N 0.27 0.56 -1.00 2.33 -0.00 -0.67 -3.08 114.38 112.78 2bje h ARG 64 Ca 0.06 -0.33 0.07 0.00 -0.50 0.00 0.00 59.98 59.28 2bje h ARG 64 Cb 0.30 0.03 -0.07 0.00 0.00 0.00 0.00 29.97 30.22 2bje h ARG 64 CO 0.01 0.93 0.65 0.82 0.00 0.00 0.00 179.97 182.38 2bje h ILE 65 N 0.24 1.08 0.00 2.04 2.04 0.38 0.46 117.51 123.75 2bje h ILE 65 Ca 0.02 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2bje h ILE 65 Cb 0.86 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2bje h ILE 65 CO 0.07 0.21 0.00 0.11 0.00 0.00 0.00 178.15 178.54 2bje h LYS 66 N 1.17 0.00 0.00 2.37 1.57 -0.56 -3.10 116.57 118.02 2bje h LYS 66 Ca 0.44 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.07 2bje h LYS 66 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2bje h LYS 66 CO -0.18 0.00 -1.55 1.04 -0.57 0.00 0.00 179.45 178.20 2bje n GLN 67 N -2.35 1.94 -0.79 3.15 6.02 -0.84 -4.77 117.38 119.75 2bje n GLN 67 Ca -0.01 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.10 2bje n GLN 67 Cb 0.06 -1.20 -0.03 0.00 1.02 0.00 0.00 30.24 30.09 2bje n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bje n GLY 68 N 2.68 -1.92 3.61 1.08 0.00 0.16 -4.54 105.19 106.25 2bje n GLY 68 Ca -0.14 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 2bje n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bje s PRO 69 N -2.11 -0.57 0.31 1.61 0.04 -1.26 -4.87 135.00 128.16 2bje s PRO 69 Ca 0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2bje s PRO 69 Cb 0.00 -1.64 0.51 0.00 0.04 0.00 0.00 34.50 33.41 2bje s PRO 69 CO 0.00 -3.34 1.94 -1.35 0.04 0.00 0.00 177.00 174.29 2bje h PRO 70 N -2.33 1.01 0.00 0.56 0.11 -1.93 -1.60 132.00 127.83 2bje h PRO 70 Ca -0.51 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2bje h PRO 70 Cb 1.32 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bje h PRO 70 CO 0.46 0.67 -0.37 0.00 -0.21 0.00 0.00 178.00 178.55 2bje n ALA 71 N -2.41 2.97 -1.30 -0.75 0.00 -1.26 -4.85 120.51 112.91 2bje n ALA 71 Ca 0.12 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 2bje n ALA 71 Cb 0.13 -1.25 0.11 0.00 0.00 0.00 0.00 19.45 18.44 2bje n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bje s ALA 72 N -3.06 2.01 -0.39 0.00 0.00 -0.60 -5.00 121.76 114.72 2bje s ALA 72 Ca 0.10 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2bje s ALA 72 Cb 0.16 -3.21 0.12 0.00 0.00 0.00 0.00 23.12 20.19 2bje s ALA 72 CO 0.66 -1.95 0.17 -1.21 0.00 0.00 0.00 175.76 173.43 2bje s GLU 73 N -4.96 1.17 -0.35 0.00 2.02 -0.73 -4.87 118.70 110.98 2bje s GLU 73 Ca 0.62 -1.72 -0.29 0.00 0.02 0.00 0.00 54.97 53.60 2bje s GLU 73 Cb -0.17 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.67 2bje s GLU 73 CO 0.56 -1.07 1.07 0.08 0.02 0.00 0.00 175.26 175.92 2bje s VAL 74 N 0.80 4.47 -0.09 2.63 1.01 -1.26 -0.60 120.40 127.37 2bje s VAL 74 Ca 0.14 1.61 0.19 0.00 0.00 0.00 0.00 61.98 63.92 2bje s VAL 74 Cb -0.21 -4.44 -0.28 0.00 0.00 0.00 0.00 36.38 31.44 2bje s VAL 74 CO -0.09 -0.57 0.29 -0.62 0.00 0.00 0.00 175.10 174.11 2bje n GLU 75 N 7.02 0.74 -3.63 2.72 1.02 0.26 -4.97 120.64 123.79 2bje n GLU 75 Ca 0.12 -0.12 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2bje n GLU 75 Cb 0.47 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 2bje n GLU 75 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2bje s LYS 76 N -3.03 0.80 -0.10 3.49 2.20 -1.05 -5.00 119.74 117.06 2bje s LYS 76 Ca -0.08 1.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 2bje s LYS 76 Cb 0.10 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.80 2bje s LYS 76 CO 0.81 -0.11 -0.11 0.08 -0.36 0.00 0.00 175.35 175.67 2bje s VAL 77 N 0.56 1.16 -0.18 4.02 1.01 -1.26 -0.40 120.40 125.31 2bje s VAL 77 Ca -0.01 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 2bje s VAL 77 Cb -0.05 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2bje s VAL 77 CO -0.02 0.38 0.02 -1.81 0.00 0.00 0.00 175.10 173.67 2bje s ASP 78 N 1.19 5.24 0.19 3.32 1.01 0.52 -4.96 116.67 123.17 2bje s ASP 78 Ca -0.04 -0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.13 2bje s ASP 78 Cb -0.14 -1.89 -0.03 0.00 1.01 0.00 0.00 42.92 41.87 2bje s ASP 78 CO -0.03 0.14 0.21 -0.72 0.21 0.00 0.00 175.17 174.99 2bje s TYR 79 N 0.53 0.83 0.06 4.23 -0.85 -1.26 -0.05 117.35 120.84 2bje s TYR 79 Ca 0.01 -1.13 -0.27 0.00 -0.52 0.00 0.00 57.07 55.16 2bje s TYR 79 Cb -0.13 -0.32 0.07 0.00 0.38 0.00 0.00 41.96 41.96 2bje s TYR 79 CO 0.02 -0.70 0.66 -1.54 -1.52 0.00 0.00 175.55 172.46 2bje s SER 80 N -3.08 -0.59 0.22 -0.18 1.04 -0.39 -5.00 113.70 105.71 2bje s SER 80 Ca 0.30 0.31 0.08 0.00 0.48 0.00 0.00 55.95 57.11 2bje s SER 80 Cb 0.05 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2bje s SER 80 CO 0.08 -0.78 0.07 -0.36 0.98 0.00 0.00 173.24 173.22 2bje s PHE 81 N -2.59 2.91 0.15 5.02 0.08 -1.26 -1.11 117.98 121.18 2bje s PHE 81 Ca -0.04 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 56.83 2bje s PHE 81 Cb -0.01 -1.35 0.02 0.00 -0.57 0.00 0.00 43.02 41.11 2bje s PHE 81 CO -0.03 0.55 0.28 -1.13 -0.10 0.00 0.00 175.22 174.79 2bje n SER 82 N -0.66 -0.80 -4.74 1.36 3.41 0.51 -4.97 113.62 107.74 2bje n SER 82 Ca -0.08 -1.67 -0.41 0.00 -0.26 0.00 0.00 58.87 56.45 2bje n SER 82 Cb 0.57 1.37 -0.03 0.00 -0.26 0.00 0.00 64.21 65.86 2bje n SER 82 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2bje s GLU 83 N -2.12 4.34 0.34 4.33 -1.05 -1.26 -0.12 118.70 123.17 2bje s GLU 83 Ca 0.08 2.14 -0.29 0.00 -0.15 0.00 0.00 54.97 56.76 2bje s GLU 83 Cb -0.01 -3.17 -0.11 0.00 -0.44 0.00 0.00 34.13 30.40 2bje s GLU 83 CO 0.06 -0.32 1.49 -0.47 0.95 0.00 0.00 175.26 176.96 2bje s TYR 84 N 0.14 2.71 -0.01 4.83 5.04 -1.26 -4.27 117.35 124.52 2bje s TYR 84 Ca 0.58 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 2bje s TYR 84 Cb -0.38 -3.98 -0.01 0.00 0.35 0.00 0.00 41.96 37.94 2bje s TYR 84 CO 0.39 -2.99 0.02 1.63 -1.34 0.00 0.00 175.55 173.26 2bje n LYS 85 N 1.04 4.27 -3.32 4.97 5.02 -1.26 -4.95 118.16 123.92 2bje n LYS 85 Ca 0.03 -0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 2bje n LYS 85 Cb 0.39 -0.71 0.06 0.00 -0.02 0.00 0.00 35.03 34.75 2bje n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bje n GLY 86 N 1.56 -0.21 0.26 0.72 0.00 -1.26 -4.91 105.19 101.34 2bje n GLY 86 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2bje n GLY 86 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bje n GLU 87 N -3.96 0.67 -4.80 1.61 0.28 -1.26 -4.90 120.64 108.28 2bje n GLU 87 Ca 0.00 -0.52 -0.27 0.00 -0.16 0.00 0.00 57.16 56.21 2bje n GLU 87 Cb 0.55 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.79 2bje n GLU 87 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2bje s PHE 88 N -2.69 1.98 -0.14 -1.84 2.99 -1.26 -5.00 117.98 112.02 2bje s PHE 88 Ca 0.16 -0.38 0.04 0.00 0.00 0.00 0.00 56.93 56.74 2bje s PHE 88 Cb 0.18 -1.20 -0.04 0.00 0.00 0.00 0.00 43.02 41.95 2bje s PHE 88 CO 0.66 0.08 0.14 0.39 -0.00 0.00 0.00 175.22 176.49 2bje n GLU 89 N 1.96 4.62 -3.33 0.44 4.71 -1.26 -4.82 120.64 122.96 2bje n GLU 89 Ca -0.17 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.16 56.85 2bje n GLU 89 Cb 0.53 -0.76 -0.04 0.00 -1.01 0.00 0.00 31.44 30.15 2bje n GLU 89 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2bje n ASP 90 N -1.20 -0.07 -3.99 1.62 -0.08 -1.26 -5.02 116.55 106.56 2bje n ASP 90 Ca 0.00 -2.28 -0.30 0.00 -1.51 0.00 0.00 54.79 50.70 2bje n ASP 90 Cb 0.07 0.89 -0.16 0.00 2.34 0.00 0.00 41.12 44.26 2bje n ASP 90 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2bje s PHE 91 N -2.71 2.29 0.39 -0.67 2.19 -1.26 -0.63 117.98 117.58 2bje s PHE 91 Ca 0.21 -1.47 0.08 0.00 0.33 0.00 0.00 56.93 56.08 2bje s PHE 91 Cb 0.01 -1.59 -0.06 0.00 -1.31 0.00 0.00 43.02 40.07 2bje s PHE 91 CO 0.15 -0.72 0.09 -1.21 1.83 0.00 0.00 175.22 175.36 2bje s GLU 92 N 1.44 2.11 -0.05 10.12 0.41 0.07 -4.92 118.70 127.88 2bje s GLU 92 Ca 0.00 -1.90 0.02 0.00 -0.41 0.00 0.00 54.97 52.69 2bje s GLU 92 Cb -0.16 -1.87 0.01 0.00 -1.78 0.00 0.00 34.13 30.33 2bje s GLU 92 CO -0.09 -0.04 -0.10 0.95 -0.49 0.00 0.00 175.26 175.49 2bje s THR 93 N -2.61 0.96 0.00 3.63 -4.23 -1.26 -1.87 115.64 110.25 2bje s THR 93 Ca 0.38 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2bje s THR 93 Cb 0.05 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 73.01 2bje s THR 93 CO 0.20 0.31 0.38 -1.22 -0.54 0.00 0.00 174.62 173.76