#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oik s PHE 7 N 0.00 2.09 -0.30 1.43 5.36 -1.26 -1.56 117.98 123.74 2oik s PHE 7 Ca 0.00 -1.66 -0.14 0.00 -0.96 0.00 0.00 56.93 54.16 2oik s PHE 7 Cb 0.00 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 41.06 2oik s PHE 7 CO 0.00 -0.77 0.34 -1.01 -1.46 0.00 0.00 175.22 172.32 2oik s HIS 8 N 1.49 3.23 0.23 10.12 3.76 -1.26 -4.98 115.29 127.88 2oik s HIS 8 Ca -0.01 0.20 0.36 0.00 -0.15 0.00 0.00 55.06 55.46 2oik s HIS 8 Cb -0.18 -2.59 1.64 0.00 1.11 0.00 0.00 32.58 32.56 2oik s HIS 8 CO -0.10 -0.30 2.08 1.57 -0.85 0.00 0.00 174.74 177.13 2oik h LYS 9 N 8.32 0.00 -0.50 1.40 2.10 -1.99 -2.05 116.57 123.86 2oik h LYS 9 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2oik h LYS 9 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2oik h LYS 9 CO 0.65 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.19 2oik n ASN 10 N -3.06 3.34 -4.61 7.07 4.13 -1.26 -4.88 115.26 115.99 2oik n ASN 10 Ca -0.00 -1.97 -0.38 0.00 1.68 0.00 0.00 54.58 53.90 2oik n ASN 10 Cb 0.24 -0.33 -0.10 0.00 -1.54 0.00 0.00 39.78 38.06 2oik n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2oik h GLU 12 N 8.08 0.35 -0.00 0.00 4.81 -1.90 -1.11 114.58 124.80 2oik h GLU 12 Ca -0.34 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2oik h GLU 12 Cb 1.17 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2oik h GLU 12 CO 0.61 0.23 -0.30 1.28 -0.73 0.00 0.00 179.01 180.10 2oik n LEU 13 N -4.46 0.60 0.02 1.64 4.77 -1.26 -1.66 117.00 116.64 2oik n LEU 13 Ca 0.09 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 2oik n LEU 13 Cb 0.38 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 2oik n LEU 13 CO 0.34 0.12 -0.48 0.00 -1.33 0.00 0.00 177.39 176.05 2oik n THR 15 N -3.30 0.00 -4.33 0.00 -2.24 -0.74 -4.96 114.28 98.71 2oik n THR 15 Ca -0.19 -0.33 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 2oik n THR 15 Cb 1.04 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 69.48 2oik n THR 15 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2oik s THR 16 N -3.20 1.32 0.36 4.28 -4.23 -0.66 -5.04 115.64 108.47 2oik s THR 16 Ca -0.03 -1.24 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 2oik s THR 16 Cb 0.13 -1.21 0.29 0.00 1.34 0.00 0.00 72.50 73.05 2oik s THR 16 CO 0.81 -0.05 1.97 0.00 -0.54 0.00 0.00 174.62 176.82 2oik h ALA 17 N 4.55 1.69 0.00 3.99 0.00 -1.91 -3.41 119.26 124.16 2oik h ALA 17 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2oik h ALA 17 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2oik h ALA 17 CO 0.42 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2oik n GLY 18 N -1.45 0.76 0.00 0.00 0.00 -1.26 -4.93 105.19 98.31 2oik n GLY 18 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2oik n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oik n GLY 19 N -2.00 -1.29 3.65 -0.02 0.00 -1.26 -4.73 105.19 99.54 2oik n GLY 19 Ca 0.00 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 2oik n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2oik s GLU 20 N -1.87 4.09 -0.15 1.61 2.12 -0.32 -4.78 118.70 119.40 2oik s GLU 20 Ca 0.00 1.58 -0.29 0.00 0.36 0.00 0.00 54.97 56.62 2oik s GLU 20 Cb 0.00 -3.85 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 2oik s GLU 20 CO 0.00 -0.90 1.55 0.42 -0.54 0.00 0.00 175.26 175.79 2oik s ILE 21 N 3.99 3.78 -0.12 -3.70 1.01 -1.26 0.17 121.20 125.06 2oik s ILE 21 Ca 0.58 0.92 0.20 0.00 0.00 0.00 0.00 60.65 62.35 2oik s ILE 21 Cb -0.21 -3.69 -0.28 0.00 0.01 0.00 0.00 42.46 38.29 2oik s ILE 21 CO 0.20 -0.19 0.29 0.18 0.00 0.00 0.00 174.94 175.43 2oik n LEU 22 N 7.61 0.06 -3.56 2.97 4.77 0.12 -4.94 117.00 124.03 2oik n LEU 22 Ca 0.17 0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 2oik n LEU 22 Cb 0.44 0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.73 2oik n LEU 22 CO 0.62 0.27 0.54 0.86 -1.33 0.00 0.00 177.39 178.34 2oik s TRP 23 N -2.95 -0.60 -0.11 -1.77 -0.00 -1.11 -4.78 118.94 107.62 2oik s TRP 23 Ca -0.09 1.14 -0.14 0.00 -0.00 0.00 0.00 56.10 57.02 2oik s TRP 23 Cb 0.10 0.39 0.03 0.00 -0.00 0.00 0.00 33.47 33.99 2oik s TRP 23 CO 0.86 -0.49 0.36 -0.65 -0.00 0.00 0.00 176.95 177.04 2oik s GLN 24 N -0.83 0.50 0.22 5.86 -0.21 -1.26 0.24 119.66 124.18 2oik s GLN 24 Ca -0.06 0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.70 2oik s GLN 24 Cb -0.01 0.23 -0.01 0.00 1.00 0.00 0.00 33.01 34.22 2oik s GLN 24 CO 0.06 -0.09 0.10 -0.40 -2.12 0.00 0.00 175.29 172.84 2oik n ASP 25 N 2.48 0.67 -0.34 5.90 5.68 -0.21 -5.01 116.55 125.73 2oik n ASP 25 Ca -0.15 -2.22 0.07 0.00 -0.50 0.00 0.00 54.79 51.99 2oik n ASP 25 Cb 0.57 0.68 0.26 0.00 -1.14 0.00 0.00 41.12 41.49 2oik n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2oik h ALA 26 N 1.44 1.57 0.18 2.12 0.00 -2.03 -3.20 119.26 119.34 2oik h ALA 26 Ca -0.16 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2oik h ALA 26 Cb 0.68 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 18.29 2oik h ALA 26 CO 0.26 0.21 -1.16 1.25 0.00 0.00 0.00 179.25 179.80 2oik h LEU 27 N 0.96 0.71 -8.19 0.00 5.85 -1.97 -3.44 115.31 109.23 2oik h LEU 27 Ca 0.47 -0.91 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 2oik h LEU 27 Cb 0.47 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 2oik h LEU 27 CO -0.23 1.56 -0.03 0.00 -0.34 0.00 0.00 178.44 179.39 2oik s ARG 29 N -3.93 0.65 -0.17 0.00 1.70 0.38 -1.05 118.95 116.53 2oik s ARG 29 Ca 0.20 -0.97 -0.04 0.00 -0.47 0.00 0.00 55.73 54.45 2oik s ARG 29 Cb -0.02 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.03 2oik s ARG 29 CO 0.09 0.04 -0.02 0.08 -1.08 0.00 0.00 175.30 174.41 2oik s VAL 30 N -2.13 3.98 0.08 4.99 1.01 0.14 -0.42 120.40 128.05 2oik s VAL 30 Ca -0.02 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.72 2oik s VAL 30 Cb -0.05 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2oik s VAL 30 CO -0.01 0.48 -0.23 0.68 0.00 0.00 0.00 175.10 176.01 2oik s VAL 31 N 0.51 1.90 -0.20 2.92 -7.23 0.19 0.10 120.40 118.60 2oik s VAL 31 Ca -0.02 -1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 2oik s VAL 31 Cb -0.14 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 2oik s VAL 31 CO 0.02 0.13 0.75 -2.28 -0.31 0.00 0.00 175.10 173.42 2oik s HIS 32 N -0.96 3.38 -0.18 2.82 5.65 0.13 -0.82 115.29 125.30 2oik s HIS 32 Ca 0.09 1.10 -0.18 0.00 0.25 0.00 0.00 55.06 56.32 2oik s HIS 32 Cb -0.10 -2.94 -0.04 0.00 -1.18 0.00 0.00 32.58 28.33 2oik s HIS 32 CO 0.03 -0.25 0.48 0.08 -0.65 0.00 0.00 174.74 174.43 2oik s VAL 33 N 2.23 5.15 -0.68 0.89 1.01 -0.03 -1.17 120.40 127.79 2oik s VAL 33 Ca 0.34 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 62.98 2oik s VAL 33 Cb -0.16 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.46 2oik s VAL 33 CO 0.10 0.23 1.10 -1.61 0.00 0.00 0.00 175.10 174.93 2oik s GLU 34 N 1.28 3.18 -0.20 2.72 2.02 -1.26 -4.50 118.70 121.93 2oik s GLU 34 Ca 0.24 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.73 2oik s GLU 34 Cb -0.15 -4.19 0.05 0.00 0.10 0.00 0.00 34.13 29.94 2oik s GLU 34 CO 0.09 -1.92 -0.09 1.21 0.02 0.00 0.00 175.26 174.58 2oik s ASN 35 N 3.61 3.42 0.53 -0.19 3.84 -1.26 -5.03 114.94 119.86 2oik s ASN 35 Ca 0.29 -0.92 0.19 0.00 0.21 0.00 0.00 52.86 52.62 2oik s ASN 35 Cb -0.13 -1.18 1.35 0.00 -0.55 0.00 0.00 41.25 40.74 2oik s ASN 35 CO 0.13 -0.17 2.15 1.56 -2.79 0.00 0.00 177.10 177.99 2oik h GLN 36 N 7.99 0.00 0.00 0.43 7.50 -1.96 -0.79 115.11 128.28 2oik h GLN 36 Ca -0.25 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.90 2oik h GLN 36 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.62 2oik h GLN 36 CO 0.45 0.00 -0.19 -0.44 -1.50 0.00 0.00 178.83 177.15 2oik h ASP 37 N 0.00 0.00 -2.24 1.46 3.32 -1.91 -3.38 116.42 113.67 2oik h ASP 37 Ca 0.02 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.48 2oik h ASP 37 Cb 0.08 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.24 2oik h ASP 37 CO -0.00 0.01 -0.93 -1.22 -1.72 0.00 0.00 179.24 175.38 2oik n TYR 38 N -2.83 0.57 -1.95 4.55 4.01 -0.30 -4.72 117.16 116.48 2oik n TYR 38 Ca 0.04 -3.68 -0.40 0.00 -0.16 0.00 0.00 57.90 53.70 2oik n TYR 38 Cb 0.51 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2oik n TYR 38 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2oik s PRO 39 N -1.12 3.89 0.00 -0.72 0.04 -1.23 -2.47 135.00 133.39 2oik s PRO 39 Ca 0.34 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.66 2oik s PRO 39 Cb 0.11 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2oik s PRO 39 CO -0.12 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2oik n GLY 40 N 0.63 0.82 3.62 0.56 0.00 -1.26 -4.78 105.19 104.78 2oik n GLY 40 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2oik n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2oik s PHE 41 N -3.21 1.82 0.23 1.61 2.19 -1.03 -4.57 117.98 115.02 2oik s PHE 41 Ca 0.00 0.43 0.09 0.00 0.33 0.00 0.00 56.93 57.79 2oik s PHE 41 Cb 0.00 -4.03 -0.04 0.00 -1.31 0.00 0.00 43.02 37.64 2oik s PHE 41 CO 0.00 -3.44 -0.06 0.00 1.83 0.00 0.00 175.22 173.56 2oik s ARG 43 N -3.29 1.20 -0.37 0.00 0.52 -0.00 -0.82 118.95 116.19 2oik s ARG 43 Ca 0.28 -0.34 -0.14 0.00 -0.52 0.00 0.00 55.73 55.02 2oik s ARG 43 Cb -0.07 -1.08 -0.00 0.00 0.52 0.00 0.00 34.95 34.31 2oik s ARG 43 CO 0.18 0.08 0.28 0.08 0.02 0.00 0.00 175.30 175.94 2oik s VAL 44 N 0.38 5.26 -0.16 3.52 1.01 -0.40 -0.63 120.40 129.37 2oik s VAL 44 Ca -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2oik s VAL 44 Cb -0.11 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2oik s VAL 44 CO 0.01 -0.13 -0.10 -0.63 0.00 0.00 0.00 175.10 174.25 2oik s ILE 45 N 1.76 3.19 0.29 2.22 1.01 0.44 -0.21 121.20 129.90 2oik s ILE 45 Ca 0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.83 2oik s ILE 45 Cb -0.18 -2.38 -0.11 0.00 0.01 0.00 0.00 42.46 39.80 2oik s ILE 45 CO 0.11 0.49 1.48 -0.22 0.00 0.00 0.00 174.94 176.80 2oik s LEU 46 N 0.71 4.37 0.20 2.97 2.96 -0.91 -0.47 118.68 128.51 2oik s LEU 46 Ca -0.05 2.81 -0.06 0.00 -0.22 0.00 0.00 54.13 56.62 2oik s LEU 46 Cb -0.15 -3.64 0.15 0.00 0.50 0.00 0.00 46.19 43.05 2oik s LEU 46 CO 0.02 -0.78 1.63 0.78 -1.32 0.00 0.00 176.35 176.68 2oik h ASN 47 N 4.55 0.86 -2.40 3.68 2.35 -0.87 -3.45 115.58 120.31 2oik h ASN 47 Ca -0.47 -0.30 -0.49 0.00 -0.55 0.00 0.00 56.30 54.49 2oik h ASN 47 Cb 1.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2oik h ASN 47 CO 0.75 1.03 -0.40 0.00 -1.65 0.00 0.00 177.43 177.16 2oik s ARG 48 N -4.70 3.45 -0.47 0.81 1.70 -1.26 -4.88 118.95 113.60 2oik s ARG 48 Ca -0.10 -0.64 -0.28 0.00 -0.47 0.00 0.00 55.73 54.24 2oik s ARG 48 Cb 0.13 -2.88 0.01 0.00 -0.57 0.00 0.00 34.95 31.64 2oik s ARG 48 CO 0.84 0.42 1.44 -1.58 -1.08 0.00 0.00 175.30 175.34 2oik s HIS 49 N -1.95 2.32 -0.01 5.89 5.65 -0.60 -4.77 115.29 121.81 2oik s HIS 49 Ca 0.35 0.60 0.01 0.00 0.25 0.00 0.00 55.06 56.28 2oik s HIS 49 Cb -0.10 -4.33 0.00 0.00 -1.18 0.00 0.00 32.58 26.97 2oik s HIS 49 CO 0.30 -2.01 -0.04 0.08 -0.65 0.00 0.00 174.74 172.42 2oik s VAL 50 N 5.83 0.37 -0.11 0.89 1.01 -1.26 -4.55 120.40 122.56 2oik s VAL 50 Ca 0.59 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 2oik s VAL 50 Cb -0.13 -0.33 -0.11 0.00 0.00 0.00 0.00 36.38 35.81 2oik s VAL 50 CO 0.30 0.12 0.34 0.50 0.00 0.00 0.00 175.10 176.35 2oik h LYS 51 N 6.25 -0.01 0.00 2.72 3.64 -1.94 0.55 116.57 127.78 2oik h LYS 51 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2oik h LYS 51 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2oik h LYS 51 CO 0.50 0.41 0.00 0.39 -2.27 0.00 0.00 179.45 178.48 2oik n GLU 52 N -4.72 1.15 0.00 1.90 -0.58 -1.26 -4.18 120.64 112.95 2oik n GLU 52 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2oik n GLU 52 Cb 0.20 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 2oik n GLU 52 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2oik n SER 54 N 0.00 0.00 0.14 1.62 3.41 -1.26 -3.64 113.62 113.89 2oik n SER 54 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2oik n SER 54 Cb 0.00 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 2oik n SER 54 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2oik h ASP 55 N 0.00 0.00 -3.82 4.04 3.32 -2.00 -3.46 116.42 114.50 2oik h ASP 55 Ca 0.00 -0.02 -0.48 0.00 0.02 0.00 0.00 57.03 56.55 2oik h ASP 55 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2oik h ASP 55 CO 0.00 0.01 0.17 -0.76 -1.72 0.00 0.00 179.24 176.94 2oik s LEU 56 N -5.16 4.05 0.45 1.55 1.43 -1.24 -5.04 118.68 114.72 2oik s LEU 56 Ca 0.08 1.42 -0.25 0.00 -1.03 0.00 0.00 54.13 54.35 2oik s LEU 56 Cb 0.10 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 42.05 2oik s LEU 56 CO 0.64 -0.23 1.41 0.54 0.23 0.00 0.00 176.35 178.94 2oik n ARG 57 N -0.35 2.19 -0.33 1.70 3.00 -1.26 -4.74 116.66 116.87 2oik n ARG 57 Ca 0.04 0.78 0.15 0.00 -0.01 0.00 0.00 57.85 58.82 2oik n ARG 57 Cb 0.53 -2.59 0.38 0.00 0.00 0.00 0.00 32.46 30.78 2oik n ARG 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2oik h PRO 58 N 2.24 0.63 -0.69 5.56 0.11 -1.96 0.26 132.00 138.16 2oik h PRO 58 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2oik h PRO 58 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2oik h PRO 58 CO 0.61 0.42 0.42 0.00 -0.21 0.00 0.00 178.00 179.23 2oik h ALA 59 N 1.64 1.45 -0.29 -0.75 0.00 -1.99 -1.16 119.26 118.16 2oik h ALA 59 Ca 0.57 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.28 2oik h ALA 59 Cb 1.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2oik h ALA 59 CO -0.35 0.48 -0.33 0.93 0.00 0.00 0.00 179.25 179.99 2oik h GLU 60 N 0.94 0.73 -0.29 0.00 5.08 -0.88 -1.78 114.58 118.37 2oik h GLU 60 Ca 0.25 -0.40 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2oik h GLU 60 Cb -0.05 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2oik h GLU 60 CO -0.05 1.02 0.02 0.00 -1.00 0.00 0.00 179.01 179.01 2oik h ARG 61 N 0.48 0.11 -0.23 2.33 3.08 -0.91 -0.90 114.38 118.34 2oik h ARG 61 Ca 0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2oik h ARG 61 Cb 0.91 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2oik h ARG 61 CO 0.08 0.08 0.12 -0.44 -1.07 0.00 0.00 179.97 178.73 2oik h ASP 62 N 0.12 0.29 0.02 7.04 3.32 -1.12 -2.99 116.42 123.11 2oik h ASP 62 Ca 0.14 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.11 2oik h ASP 62 Cb 0.17 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 2oik h ASP 62 CO -0.21 0.32 -0.24 -0.74 -1.72 0.00 0.00 179.24 176.65 2oik h HIS 63 N 0.25 -0.63 0.00 4.55 2.76 -1.12 -1.06 115.15 119.89 2oik h HIS 63 Ca 0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2oik h HIS 63 Cb 0.10 0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.34 2oik h HIS 63 CO -0.03 -0.33 0.00 -0.11 -1.30 0.00 0.00 177.93 176.16 2oik n LEU 64 N -5.36 0.00 0.00 0.26 7.94 -0.36 -1.97 117.00 117.51 2oik n LEU 64 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2oik n LEU 64 Cb 0.27 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.22 2oik n LEU 64 CO 0.23 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.69 2oik n LEU 66 N 0.74 0.00 -0.16 -1.96 4.77 -0.40 -1.21 117.00 118.77 2oik n LEU 66 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2oik n LEU 66 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2oik n LEU 66 CO 0.00 0.00 0.83 0.58 -1.33 0.00 0.00 177.39 177.47 2oik h VAL 67 N 0.00 1.25 -0.14 4.08 2.07 -1.67 -0.66 116.25 121.17 2oik h VAL 67 Ca 0.00 -0.96 0.02 0.00 0.82 0.00 0.00 66.70 66.58 2oik h VAL 67 Cb 0.00 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 2oik h VAL 67 CO 0.00 0.34 0.02 0.58 0.02 0.00 0.00 177.57 178.53 2oik h VAL 68 N 0.65 0.93 -0.05 2.57 2.07 -1.44 -1.41 116.25 119.56 2oik h VAL 68 Ca 0.14 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.53 2oik h VAL 68 Cb 0.43 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2oik h VAL 68 CO 0.01 0.01 -0.41 -0.26 0.02 0.00 0.00 177.57 176.95 2oik h PHE 69 N 0.08 0.13 -0.54 1.57 0.04 -1.81 -0.47 116.94 115.94 2oik h PHE 69 Ca 0.06 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 2oik h PHE 69 Cb 0.06 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2oik h PHE 69 CO -0.13 0.51 0.10 0.00 -0.60 0.00 0.00 178.31 178.20 2oik h ALA 70 N 1.49 1.17 -0.40 2.45 0.00 -0.86 -1.42 119.26 121.68 2oik h ALA 70 Ca 0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2oik h ALA 70 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2oik h ALA 70 CO 0.06 0.56 -0.28 0.28 0.00 0.00 0.00 179.25 179.87 2oik h VAL 71 N 0.81 1.28 -0.57 0.00 2.07 -0.62 -1.43 116.25 117.78 2oik h VAL 71 Ca 0.17 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.29 2oik h VAL 71 Cb 0.33 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2oik h VAL 71 CO 0.00 0.48 0.33 -0.08 0.02 0.00 0.00 177.57 178.32 2oik h GLU 72 N 0.72 0.62 -0.76 1.57 4.81 -0.83 0.28 114.58 120.98 2oik h GLU 72 Ca 0.08 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2oik h GLU 72 Cb 0.85 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 2oik h GLU 72 CO 0.07 0.41 0.45 0.93 -0.73 0.00 0.00 179.01 180.14 2oik h GLU 73 N 0.64 1.04 -0.29 1.92 5.08 -1.07 -0.10 114.58 121.79 2oik h GLU 73 Ca 0.24 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 2oik h GLU 73 Cb 0.08 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2oik h GLU 73 CO -0.13 0.74 -0.52 0.00 -1.00 0.00 0.00 179.01 178.10 2oik h ALA 74 N 1.24 0.52 -0.65 3.43 0.00 -0.63 -0.50 119.26 122.66 2oik h ALA 74 Ca 0.27 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2oik h ALA 74 Cb -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2oik h ALA 74 CO -0.05 0.68 0.16 0.28 0.00 0.00 0.00 179.25 180.32 2oik h VAL 75 N 0.65 1.26 -0.46 0.00 2.07 -0.22 -1.49 116.25 118.05 2oik h VAL 75 Ca 0.02 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2oik h VAL 75 Cb 1.12 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2oik h VAL 75 CO 0.12 0.36 0.17 0.03 0.02 0.00 0.00 177.57 178.26 2oik h ARG 76 N 0.97 0.70 -0.23 1.57 3.08 -0.82 -3.13 114.38 116.52 2oik h ARG 76 Ca 0.21 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2oik h ARG 76 Cb 0.37 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2oik h ARG 76 CO 0.00 0.65 0.05 1.49 -1.07 0.00 0.00 179.97 181.09 2oik h GLU 77 N 0.61 0.37 -0.11 0.04 4.81 -0.91 -0.78 114.58 118.61 2oik h GLU 77 Ca 0.15 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2oik h GLU 77 Cb 0.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2oik h GLU 77 CO -0.01 0.48 0.00 0.28 -0.73 0.00 0.00 179.01 179.03 2oik n VAL 78 N -4.74 0.00 0.00 0.32 0.31 -0.58 -5.05 118.33 108.59 2oik n VAL 78 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2oik n VAL 78 Cb 0.18 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 2oik n VAL 78 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2oik n ARG 80 N -0.44 0.00 -1.83 5.55 1.74 -0.30 -5.10 116.66 116.29 2oik n ARG 80 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2oik n ARG 80 Cb 0.03 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.54 2oik n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2oik s PRO 81 N 0.00 2.41 0.27 5.56 0.04 -1.26 -4.98 135.00 137.03 2oik s PRO 81 Ca 0.00 0.38 0.13 0.00 0.04 0.00 0.00 61.00 61.54 2oik s PRO 81 Cb 0.00 -1.98 0.27 0.00 0.04 0.00 0.00 34.50 32.84 2oik s PRO 81 CO 0.00 -1.34 1.55 -0.44 0.04 0.00 0.00 177.00 176.81 2oik h ASP 82 N -0.87 0.00 -4.76 6.66 3.32 -1.44 -3.47 116.42 115.86 2oik h ASP 82 Ca -0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 2oik h ASP 82 Cb 1.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 2oik h ASP 82 CO 0.64 0.62 -0.07 -0.75 -1.72 0.00 0.00 179.24 177.97 2oik s LYS 83 N -3.31 0.80 -0.15 3.56 2.47 -0.98 -5.01 119.74 117.11 2oik s LYS 83 Ca 0.00 0.18 -0.07 0.00 -1.56 0.00 0.00 55.97 54.52 2oik s LYS 83 Cb 0.11 0.37 -0.04 0.00 -1.46 0.00 0.00 37.83 36.81 2oik s LYS 83 CO 0.75 -0.21 0.11 0.42 0.16 0.00 0.00 175.35 176.58 2oik s ILE 84 N -0.92 5.23 -0.07 5.43 -1.09 -1.26 0.03 121.20 128.55 2oik s ILE 84 Ca -0.10 0.11 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 2oik s ILE 84 Cb -0.03 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2oik s ILE 84 CO 0.06 0.54 -0.09 0.20 -1.23 0.00 0.00 174.94 174.41 2oik s ASN 85 N -0.40 4.43 -0.06 3.58 0.02 -0.13 -4.96 114.94 117.42 2oik s ASN 85 Ca 0.11 -0.10 0.04 0.00 -1.02 0.00 0.00 52.86 51.89 2oik s ASN 85 Cb -0.12 -1.12 -0.00 0.00 0.02 0.00 0.00 41.25 40.03 2oik s ASN 85 CO 0.01 0.34 -0.19 -0.76 0.02 0.00 0.00 177.10 176.53 2oik s LEU 86 N -0.66 1.93 -0.16 0.60 1.43 -1.26 -0.83 118.68 119.72 2oik s LEU 86 Ca 0.10 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 2oik s LEU 86 Cb -0.11 -1.08 0.05 0.00 0.03 0.00 0.00 46.19 45.08 2oik s LEU 86 CO 0.01 0.15 0.55 0.00 0.23 0.00 0.00 176.35 177.29 2oik s ALA 87 N 0.14 -1.37 -0.22 4.21 0.00 -0.96 -4.98 121.76 118.58 2oik s ALA 87 Ca -0.07 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.29 2oik s ALA 87 Cb -0.13 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 22.37 2oik s ALA 87 CO 0.04 -0.28 -0.06 0.45 0.00 0.00 0.00 175.76 175.91 2oik s SER 88 N -0.10 3.68 0.01 0.00 0.15 -1.26 -0.55 113.70 115.63 2oik s SER 88 Ca -0.03 -1.09 -0.01 0.00 0.70 0.00 0.00 55.95 55.51 2oik s SER 88 Cb -0.03 -1.14 -0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2oik s SER 88 CO 0.03 -0.22 -0.03 0.18 1.20 0.00 0.00 173.24 174.39 2oik n LEU 89 N 4.70 0.42 -1.41 3.45 4.77 -1.26 -5.03 117.00 122.64 2oik n LEU 89 Ca -0.12 0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.77 2oik n LEU 89 Cb 0.45 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2oik n LEU 89 CO 0.18 -0.54 -0.16 0.61 -1.33 0.00 0.00 177.39 176.14 2oik n GLY 90 N 2.97 0.48 0.05 -0.72 0.00 -1.26 -4.99 105.19 101.72 2oik n GLY 90 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2oik n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2oik n ASN 91 N -0.55 0.06 -4.33 1.61 3.02 -1.26 -2.43 115.26 111.37 2oik n ASN 91 Ca -0.16 -1.14 -0.25 0.00 -0.03 0.00 0.00 54.58 53.00 2oik n ASN 91 Cb 0.56 -0.03 -0.21 0.00 -0.61 0.00 0.00 39.78 39.50 2oik n ASN 91 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2oik n THR 93 N -0.42 0.00 -1.31 3.41 -1.04 -1.26 -5.14 114.28 108.52 2oik n THR 93 Ca 0.00 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.05 61.23 2oik n THR 93 Cb 0.02 -0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.40 2oik n THR 93 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2oik n PRO 94 N 5.88 2.26 -3.62 -2.82 -0.04 -1.02 -4.74 135.00 130.90 2oik n PRO 94 Ca 0.65 -2.09 -0.22 0.00 -0.04 0.00 0.00 63.50 61.81 2oik n PRO 94 Cb 0.11 -2.97 -0.17 0.00 -0.04 0.00 0.00 33.50 30.43 2oik n PRO 94 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2oik s HIS 95 N 3.89 0.03 -0.08 0.54 5.04 -1.26 -4.07 115.29 119.39 2oik s HIS 95 Ca 0.53 0.09 -0.37 0.00 -1.54 0.00 0.00 55.06 53.77 2oik s HIS 95 Cb 0.14 -0.51 -0.15 0.00 0.04 0.00 0.00 32.58 32.10 2oik s HIS 95 CO 0.01 -0.38 1.64 0.28 -2.34 0.00 0.00 174.74 173.94 2oik n VAL 96 N 5.30 0.24 -3.66 0.89 0.31 0.18 -4.90 118.33 116.69 2oik n VAL 96 Ca -0.05 -0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 2oik n VAL 96 Cb 0.50 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 32.06 2oik n VAL 96 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2oik s HIS 97 N 2.43 -0.50 -0.18 3.52 -3.43 -1.26 -2.14 115.29 113.74 2oik s HIS 97 Ca 0.91 1.04 -0.04 0.00 -0.80 0.00 0.00 55.06 56.16 2oik s HIS 97 Cb -0.90 0.24 -0.02 0.00 -1.43 0.00 0.00 32.58 30.46 2oik s HIS 97 CO 0.54 -0.41 -0.03 -1.58 -2.00 0.00 0.00 174.74 171.26 2oik s TRP 98 N -0.60 3.02 -0.02 0.38 0.52 0.71 -4.34 118.94 118.62 2oik s TRP 98 Ca -0.07 -0.40 -0.27 0.00 0.02 0.00 0.00 56.10 55.37 2oik s TRP 98 Cb -0.03 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.24 2oik s TRP 98 CO 0.04 -0.15 0.86 -1.01 0.02 0.00 0.00 176.95 176.72 2oik s HIS 99 N 0.66 3.64 -0.28 -1.98 3.76 0.29 -1.27 115.29 120.11 2oik s HIS 99 Ca -0.02 1.53 0.02 0.00 -0.15 0.00 0.00 55.06 56.44 2oik s HIS 99 Cb -0.14 -2.98 0.08 0.00 1.11 0.00 0.00 32.58 30.64 2oik s HIS 99 CO 0.02 0.06 -0.03 0.08 -0.85 0.00 0.00 174.74 174.02 2oik s VAL 100 N 0.81 1.93 -0.18 -0.90 1.01 0.00 -2.25 120.40 120.82 2oik s VAL 100 Ca 0.46 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.71 2oik s VAL 100 Cb -0.20 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.97 2oik s VAL 100 CO 0.24 -0.28 -0.18 -0.63 0.00 0.00 0.00 175.10 174.25 2oik s ILE 101 N 1.15 1.96 -0.20 2.22 1.01 -0.01 -1.73 121.20 125.60 2oik s ILE 101 Ca -0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 2oik s ILE 101 Cb -0.19 -1.80 -0.00 0.00 0.01 0.00 0.00 42.46 40.48 2oik s ILE 101 CO -0.08 0.49 0.95 -2.16 0.00 0.00 0.00 174.94 174.15 2oik s PRO 102 N 1.32 4.28 0.07 2.79 0.04 -1.26 -0.96 135.00 141.28 2oik s PRO 102 Ca 0.04 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.34 2oik s PRO 102 Cb -0.13 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 2oik s PRO 102 CO -0.12 -0.50 0.01 1.03 0.04 0.00 0.00 177.00 177.45 2oik s ARG 103 N 2.75 2.62 0.05 4.56 1.81 0.10 -4.91 118.95 125.93 2oik s ARG 103 Ca 0.42 -0.78 0.04 0.00 -1.72 0.00 0.00 55.73 53.68 2oik s ARG 103 Cb -0.16 -2.58 -0.02 0.00 -0.45 0.00 0.00 34.95 31.74 2oik s ARG 103 CO 0.09 0.56 -0.11 -0.06 -0.68 0.00 0.00 175.30 175.10 2oik s PHE 104 N -1.27 0.97 0.57 -0.53 0.40 -1.26 -0.98 117.98 115.88 2oik s PHE 104 Ca 0.25 -0.42 0.27 0.00 -0.60 0.00 0.00 56.93 56.43 2oik s PHE 104 Cb -0.12 -0.57 1.61 0.00 0.51 0.00 0.00 43.02 44.46 2oik s PHE 104 CO 0.17 -0.00 2.13 0.87 0.70 0.00 0.00 175.22 179.09 2oik h LYS 105 N 4.65 0.00 -0.17 0.44 1.57 -1.96 -1.17 116.57 119.93 2oik h LYS 105 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2oik h LYS 105 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2oik h LYS 105 CO 0.42 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.84 2oik n ARG 106 N -3.97 1.99 -1.40 3.15 1.74 -1.26 -4.75 116.66 112.16 2oik n ARG 106 Ca 0.01 -1.48 -0.29 0.00 -0.77 0.00 0.00 57.85 55.32 2oik n ARG 106 Cb 0.26 -1.45 0.16 0.00 -1.02 0.00 0.00 32.46 30.41 2oik n ARG 106 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2oik s ASP 107 N -1.69 3.03 0.46 0.55 1.47 -0.44 -4.75 116.67 115.29 2oik s ASP 107 Ca 0.34 0.99 0.13 0.00 1.18 0.00 0.00 52.55 55.19 2oik s ASP 107 Cb 0.20 -1.56 1.06 0.00 -0.34 0.00 0.00 42.92 42.28 2oik s ASP 107 CO 0.29 -2.85 2.06 -0.09 0.68 0.00 0.00 175.17 175.26 2oik h ARG 108 N -1.71 0.30 0.00 2.11 2.43 -1.84 -3.26 114.38 112.42 2oik h ARG 108 Ca -0.52 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2oik h ARG 108 Cb 1.33 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2oik h ARG 108 CO 0.58 0.20 -1.31 0.72 -1.51 0.00 0.00 179.97 178.66 2oik n HIS 109 N -4.49 0.00 -1.61 2.20 8.25 -1.26 -0.09 115.22 118.22 2oik n HIS 109 Ca 0.03 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 57.01 2oik n HIS 109 Cb 0.18 -0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 2oik n HIS 109 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2oik n PHE 110 N -1.75 1.63 0.54 4.41 7.35 -1.23 -0.43 117.46 127.97 2oik n PHE 110 Ca -0.01 0.58 0.06 0.00 -0.76 0.00 0.00 57.45 57.31 2oik n PHE 110 Cb 0.23 -2.35 0.19 0.00 0.35 0.00 0.00 39.48 37.89 2oik n PHE 110 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2oik n PRO 111 N 2.09 2.24 -1.11 -7.13 -0.04 -1.26 -4.88 135.00 124.90 2oik n PRO 111 Ca 0.15 -1.49 -0.31 0.00 -0.04 0.00 0.00 63.50 61.81 2oik n PRO 111 Cb 0.26 -1.47 0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2oik n PRO 111 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2oik s ASN 112 N -0.84 3.85 0.89 3.54 0.01 0.42 -5.03 114.94 117.80 2oik s ASN 112 Ca 0.27 1.81 -0.11 0.00 -0.71 0.00 0.00 52.86 54.12 2oik s ASN 112 Cb 0.16 -2.45 0.13 0.00 0.41 0.00 0.00 41.25 39.50 2oik s ASN 112 CO 0.15 -2.45 1.11 -0.94 -1.51 0.00 0.00 177.10 173.46 2oik s SER 113 N -3.23 3.30 0.00 -1.22 1.04 -1.26 -4.84 113.70 107.49 2oik s SER 113 Ca 0.63 1.89 0.07 0.00 0.48 0.00 0.00 55.95 59.01 2oik s SER 113 Cb -0.19 -2.46 0.30 0.00 0.10 0.00 0.00 66.02 63.78 2oik s SER 113 CO 0.57 -2.81 1.17 1.33 0.98 0.00 0.00 173.24 174.48 2oik n VAL 114 N -4.03 1.33 1.04 5.02 0.24 -1.26 -1.73 118.33 118.95 2oik n VAL 114 Ca 0.09 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.84 2oik n VAL 114 Cb 0.53 -1.22 0.11 0.00 -1.47 0.00 0.00 33.84 31.80 2oik n VAL 114 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2oik n TRP 115 N -1.43 0.00 -1.74 6.34 8.01 -1.26 -4.96 117.44 122.39 2oik n TRP 115 Ca 0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.21 2oik n TRP 115 Cb 0.07 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 2oik n TRP 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2oik n GLY 116 N 1.36 1.71 3.76 6.99 0.00 -0.70 -5.07 105.19 113.24 2oik n GLY 116 Ca 0.13 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 2oik n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oik s GLU 117 N 2.85 4.57 0.35 1.61 2.02 -1.26 -4.99 118.70 123.86 2oik s GLU 117 Ca 0.00 1.61 -0.28 0.00 0.02 0.00 0.00 54.97 56.32 2oik s GLU 117 Cb 0.00 -3.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.12 2oik s GLU 117 CO 0.00 0.21 1.23 0.99 0.02 0.00 0.00 175.26 177.71 2oik s THR 118 N -1.34 2.98 -0.05 3.63 2.01 -1.26 -4.70 115.64 116.92 2oik s THR 118 Ca 0.47 0.93 0.07 0.00 0.31 0.00 0.00 61.69 63.48 2oik s THR 118 Cb -0.27 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 68.57 2oik s THR 118 CO 0.34 0.18 0.08 0.29 -0.69 0.00 0.00 174.62 174.82 2oik n LYS 119 N 0.61 1.79 -3.79 4.92 4.76 0.87 -4.99 118.16 122.33 2oik n LYS 119 Ca 0.01 -0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.35 2oik n LYS 119 Cb 0.44 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.42 2oik n LYS 119 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2oik s ARG 120 N -2.32 1.70 0.28 1.97 1.70 -1.09 -5.06 118.95 116.13 2oik s ARG 120 Ca -0.03 -0.91 -0.24 0.00 -0.47 0.00 0.00 55.73 54.08 2oik s ARG 120 Cb 0.03 0.60 -0.09 0.00 -0.57 0.00 0.00 34.95 34.92 2oik s ARG 120 CO 0.31 -0.77 0.87 -2.00 -1.08 0.00 0.00 175.30 172.62 2oik s GLU 121 N -3.87 4.49 -0.18 3.89 2.12 -1.26 -4.58 118.70 119.30 2oik s GLU 121 Ca 0.10 1.18 -0.08 0.00 0.36 0.00 0.00 54.97 56.52 2oik s GLU 121 Cb -0.05 -2.86 0.07 0.00 0.26 0.00 0.00 34.13 31.55 2oik s GLU 121 CO 0.04 0.34 0.41 -1.54 -0.54 0.00 0.00 175.26 173.97 2oik s SER 122 N -1.59 -0.41 -0.64 -1.70 1.04 -1.26 -4.84 113.70 104.30 2oik s SER 122 Ca 0.47 0.93 0.05 0.00 0.48 0.00 0.00 55.95 57.87 2oik s SER 122 Cb -0.18 0.97 0.17 0.00 0.10 0.00 0.00 66.02 67.07 2oik s SER 122 CO 0.23 -0.21 0.45 -0.76 0.98 0.00 0.00 173.24 173.93 2oik s LEU 123 N 1.83 4.17 0.41 2.42 1.43 -1.26 -4.93 118.68 122.75 2oik s LEU 123 Ca -0.07 -3.64 -0.22 0.00 -1.03 0.00 0.00 54.13 49.18 2oik s LEU 123 Cb -0.10 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.60 2oik s LEU 123 CO -0.13 -0.11 0.96 -2.16 0.23 0.00 0.00 176.35 175.14 2oik s PRO 124 N -1.08 4.26 -0.13 1.29 0.05 -1.26 -4.99 135.00 133.14 2oik s PRO 124 Ca 0.25 1.21 -0.29 0.00 0.05 0.00 0.00 61.00 62.22 2oik s PRO 124 Cb -0.05 -2.32 -0.03 0.00 0.05 0.00 0.00 34.50 32.15 2oik s PRO 124 CO -0.16 -0.01 1.40 1.14 0.05 0.00 0.00 177.00 179.42 2oik s GLN 125 N -2.92 4.21 0.70 4.56 0.00 -1.26 -4.92 119.66 120.03 2oik s GLN 125 Ca 0.60 1.85 -0.16 0.00 -0.00 0.00 0.00 55.36 57.65 2oik s GLN 125 Cb -0.12 -3.84 0.01 0.00 0.00 0.00 0.00 33.01 29.05 2oik s GLN 125 CO 0.17 -0.76 1.12 0.00 0.00 0.00 0.00 175.29 175.82 2oik n ALA 126 N 6.79 0.34 -1.83 2.60 0.00 -1.26 -4.81 120.51 122.34 2oik n ALA 126 Ca 0.15 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 2oik n ALA 126 Cb 0.44 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.66 2oik n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oik s LEU 127 N -3.87 4.37 0.73 0.00 1.43 -1.26 -5.00 118.68 115.07 2oik s LEU 127 Ca 0.77 2.79 -0.09 0.00 -1.03 0.00 0.00 54.13 56.57 2oik s LEU 127 Cb -0.36 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.29 2oik s LEU 127 CO 0.46 -0.82 1.07 -1.81 0.23 0.00 0.00 176.35 175.48 2oik s ASP 128 N 0.57 4.91 0.39 2.29 1.11 -1.26 -4.87 116.67 119.80 2oik s ASP 128 Ca 0.63 0.72 0.05 0.00 0.18 0.00 0.00 52.55 54.13 2oik s ASP 128 Cb -0.45 -1.38 0.77 0.00 1.07 0.00 0.00 42.92 42.93 2oik s ASP 128 CO 0.43 -1.59 2.04 0.06 1.18 0.00 0.00 175.17 177.28 2oik h GLN 129 N -0.72 0.64 -0.49 8.23 -0.00 -1.98 -1.81 115.11 118.98 2oik h GLN 129 Ca -0.45 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.07 2oik h GLN 129 Cb 1.30 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.48 28.62 2oik h GLN 129 CO 0.63 0.43 -0.04 0.78 -0.00 0.00 0.00 178.83 180.63 2oik h GLY 130 N 0.67 0.92 1.05 0.06 0.00 -1.98 0.16 103.07 103.95 2oik h GLY 130 Ca 0.18 -0.66 -0.23 0.00 0.00 0.00 0.00 47.33 46.61 2oik h GLY 130 CO -0.04 0.61 -0.92 1.76 0.00 0.00 0.00 176.54 177.95 2oik h SER 131 N 0.78 0.77 -0.28 0.19 0.02 -1.88 -1.04 113.55 112.11 2oik h SER 131 Ca 0.14 -0.77 0.02 0.00 -0.84 0.00 0.00 61.79 60.34 2oik h SER 131 Cb 0.53 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2oik h SER 131 CO 0.03 1.44 0.14 0.74 -1.14 0.00 0.00 176.83 178.04 2oik h THR 132 N 0.18 0.99 -0.96 -2.27 2.02 -1.33 0.21 112.91 111.76 2oik h THR 132 Ca -0.12 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2oik h THR 132 Cb 1.60 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.63 2oik h THR 132 CO 0.18 0.05 0.61 0.74 0.37 0.00 0.00 175.52 177.47 2oik h THR 133 N 0.30 1.25 -0.65 3.16 2.02 -0.70 -1.16 112.91 117.13 2oik h THR 133 Ca 0.12 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 2oik h THR 133 Cb 0.03 -0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.29 2oik h THR 133 CO -0.08 0.26 0.10 0.00 0.37 0.00 0.00 175.52 176.16 2oik h ALA 134 N 1.33 0.87 0.04 6.16 0.00 -0.73 0.12 119.26 127.05 2oik h ALA 134 Ca 0.35 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2oik h ALA 134 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.44 2oik h ALA 134 CO -0.07 0.64 -0.02 -0.07 0.00 0.00 0.00 179.25 179.74 2oik h LEU 135 N 1.01 -0.04 -0.44 0.00 3.38 -0.32 0.15 115.31 119.04 2oik h LEU 135 Ca 0.20 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.22 2oik h LEU 135 Cb 0.45 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2oik h LEU 135 CO 0.01 -0.02 0.12 0.11 0.09 0.00 0.00 178.44 178.76 2oik h LYS 136 N -0.07 0.26 -0.33 1.13 1.57 -0.90 -0.94 116.57 117.30 2oik h LYS 136 Ca -0.01 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2oik h LYS 136 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2oik h LYS 136 CO 0.01 0.17 -0.07 0.87 -0.57 0.00 0.00 179.45 179.87 2oik h LYS 137 N 0.27 0.62 -0.28 3.15 1.79 -0.69 -1.14 116.57 120.30 2oik h LYS 137 Ca 0.21 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2oik h LYS 137 Cb 0.25 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 2oik h LYS 137 CO -0.25 0.79 0.14 0.00 -1.08 0.00 0.00 179.45 179.05 2oik h ALA 138 N 0.81 1.72 -0.01 3.86 0.00 -0.62 0.17 119.26 125.18 2oik h ALA 138 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2oik h ALA 138 Cb 0.55 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2oik h ALA 138 CO 0.03 0.24 -0.38 0.82 0.00 0.00 0.00 179.25 179.95 2oik h ILE 139 N 0.39 1.48 -0.47 0.00 2.04 -1.10 -3.25 117.51 116.60 2oik h ILE 139 Ca 0.10 -1.95 0.02 0.00 1.00 0.00 0.00 64.86 64.03 2oik h ILE 139 Cb 0.04 2.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 2oik h ILE 139 CO -0.02 0.55 0.27 -1.28 0.00 0.00 0.00 178.15 177.68 2oik h SER 140 N -0.30 0.44 0.51 1.72 0.87 -0.64 -0.20 113.55 115.96 2oik h SER 140 Ca -0.04 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 2oik h SER 140 Cb 1.10 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2oik h SER 140 CO 0.08 0.31 -0.17 1.62 -0.53 0.00 0.00 176.83 178.14 2oik h VAL 141 N 0.55 0.60 0.21 2.23 3.04 -1.10 0.40 116.25 122.18 2oik h VAL 141 Ca 0.19 -0.74 -0.35 0.00 -1.01 0.00 0.00 66.70 64.79 2oik h VAL 141 Cb 0.02 1.48 0.02 0.00 -2.01 0.00 0.00 31.29 30.80 2oik h VAL 141 CO -0.09 0.16 -1.68 0.03 -1.01 0.00 0.00 177.57 174.98 2oik h ARG 142 N 0.00 0.44 0.00 4.17 3.08 -1.41 -3.41 114.38 117.25 2oik h ARG 142 Ca -0.00 -0.75 -0.04 0.00 0.07 0.00 0.00 59.98 59.26 2oik h ARG 142 Cb 0.47 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2oik h ARG 142 CO 0.02 1.36 -2.03 1.28 -1.07 0.00 0.00 179.97 179.54 2oik n LEU 143 N -3.63 0.01 -4.40 3.04 4.77 -0.15 -4.80 117.00 111.84 2oik n LEU 143 Ca -0.23 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.31 2oik n LEU 143 Cb 1.09 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 42.20 2oik n LEU 143 CO 0.54 0.05 0.72 -1.81 -1.33 0.00 0.00 177.39 175.56 2oik s ASP 144 N -4.63 6.62 0.00 -1.43 1.01 0.14 -5.06 116.67 113.33 2oik s ASP 144 Ca -0.08 -2.20 0.00 0.00 0.71 0.00 0.00 52.55 50.98 2oik s ASP 144 Cb 0.13 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.74 2oik s ASP 144 CO 0.90 -0.90 0.00 0.00 0.21 0.00 0.00 175.17 175.38