#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r s ALA 2 N 0.00 4.22 -0.27 3.04 0.00 -1.26 -4.98 121.76 122.51 2k0r s ALA 2 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 2k0r s ALA 2 Cb 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2k0r s ALA 2 CO 0.00 -0.02 0.08 1.28 0.00 0.00 0.00 175.76 177.10 2k0r n LEU 3 N -1.30 -7.47 -3.00 0.00 4.32 -1.26 -4.98 117.00 103.31 2k0r n LEU 3 Ca -0.20 1.73 -0.26 0.00 -0.02 0.00 0.00 56.01 57.26 2k0r n LEU 3 Cb 0.67 -3.35 -0.04 0.00 -1.62 0.00 0.00 43.42 39.08 2k0r n LEU 3 CO 0.37 -3.51 0.08 0.47 -1.22 0.00 0.00 177.39 173.58 2k0r n ASP 4 N 1.02 3.84 -4.51 -1.43 8.00 -1.26 -5.05 116.55 117.16 2k0r n ASP 4 Ca -0.14 -3.56 -0.41 0.00 0.71 0.00 0.00 54.79 51.40 2k0r n ASP 4 Cb 0.21 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 40.65 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k0r n ALA 5 N -0.11 0.63 0.00 2.24 0.00 -1.26 -4.19 120.51 117.83 2k0r n ALA 5 Ca 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2k0r n ALA 5 Cb 0.44 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.17 2k0r n ALA 5 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k0r n ASN 6 N 12.70 0.00 -1.09 0.00 2.85 -1.26 -4.10 115.26 124.36 2k0r n ASN 6 Ca 0.49 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.82 2k0r n ASN 6 Cb 0.28 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.24 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2k0r n ASP 7 N 0.00 -5.45 0.09 1.20 2.03 -1.25 -4.81 116.55 108.35 2k0r n ASP 7 Ca 0.00 0.35 0.11 0.00 0.52 0.00 0.00 54.79 55.78 2k0r n ASP 7 Cb 0.00 -4.20 -0.01 0.00 -0.72 0.00 0.00 41.12 36.19 2k0r n ASP 7 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k0r n LEU 8 N -1.62 0.75 -4.75 -2.67 7.99 -1.26 -4.92 117.00 110.52 2k0r n LEU 8 Ca -0.14 0.27 -0.24 0.00 -0.01 0.00 0.00 56.01 55.90 2k0r n LEU 8 Cb 0.59 -0.06 -0.06 0.00 -0.11 0.00 0.00 43.42 43.78 2k0r n LEU 8 CO 0.22 -0.15 -0.24 -1.48 -1.51 0.00 0.00 177.39 174.23 2k0r s LEU 9 N -5.15 3.59 0.75 2.23 2.34 -1.26 -5.10 118.68 116.09 2k0r s LEU 9 Ca -0.01 -0.35 -0.11 0.00 0.06 0.00 0.00 54.13 53.73 2k0r s LEU 9 Cb 0.10 -2.15 0.05 0.00 -0.56 0.00 0.00 46.19 43.63 2k0r s LEU 9 CO 0.80 0.01 1.10 -2.16 -1.06 0.00 0.00 176.35 175.03 2k0r s PRO 10 N -3.55 2.34 0.00 1.48 0.04 -1.26 -4.85 135.00 129.20 2k0r s PRO 10 Ca 0.31 1.21 0.15 0.00 0.04 0.00 0.00 61.00 62.71 2k0r s PRO 10 Cb -0.08 -1.90 0.78 0.00 0.04 0.00 0.00 34.50 33.33 2k0r s PRO 10 CO 0.23 -1.58 1.40 -0.35 0.04 0.00 0.00 177.00 176.73 2k0r n PRO 11 N -3.34 0.26 0.09 0.56 -0.04 -1.26 -1.48 135.00 129.80 2k0r n PRO 11 Ca 0.09 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.45 2k0r n PRO 11 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 2k0r n PRO 11 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2k0r h GLU 12 N 0.00 0.51 -0.01 0.54 -0.00 -1.91 -3.34 114.58 110.36 2k0r h GLU 12 Ca 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 59.36 58.60 2k0r h GLU 12 Cb 0.12 0.27 0.00 0.00 -0.00 0.00 0.00 28.75 29.13 2k0r h GLU 12 CO 0.00 1.35 -0.43 0.36 -0.00 0.00 0.00 179.01 180.29 2k0r n LYS 13 N -3.89 1.51 0.20 1.06 -0.00 -1.12 -4.28 118.16 111.64 2k0r n LYS 13 Ca -0.15 -0.78 0.14 0.00 -0.00 0.00 0.00 58.31 57.52 2k0r n LYS 13 Cb 0.96 -1.34 0.39 0.00 -0.00 0.00 0.00 35.03 35.04 2k0r n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k0r h ALA 14 N 3.07 1.00 -3.61 0.58 0.00 -1.38 -3.43 119.26 115.49 2k0r h ALA 14 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2k0r h ALA 14 Cb 0.59 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.06 2k0r h ALA 14 CO 0.00 0.00 -0.85 -0.06 0.00 0.00 0.00 179.25 178.34 2k0r s PHE 15 N -3.32 1.96 -0.74 0.00 0.08 -1.25 -0.41 117.98 114.30 2k0r s PHE 15 Ca 0.06 -0.69 0.02 0.00 0.12 0.00 0.00 56.93 56.44 2k0r s PHE 15 Cb 0.08 -1.34 0.18 0.00 -0.57 0.00 0.00 43.02 41.38 2k0r s PHE 15 CO 0.59 -0.28 0.56 0.08 -0.10 0.00 0.00 175.22 176.07 2k0r s VAL 16 N 0.29 3.46 0.23 -0.44 1.01 0.84 -4.90 120.40 120.89 2k0r s VAL 16 Ca -0.11 -3.90 -0.30 0.00 0.00 0.00 0.00 61.98 57.67 2k0r s VAL 16 Cb -0.15 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 2k0r s VAL 16 CO 0.05 -1.00 1.28 -2.16 0.00 0.00 0.00 175.10 173.27 2k0r s PRO 17 N -1.15 4.42 -0.04 2.72 0.04 -1.26 -1.52 135.00 138.20 2k0r s PRO 17 Ca 0.24 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2k0r s PRO 17 Cb -0.09 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.30 2k0r s PRO 17 CO -0.12 -0.18 -0.01 -2.00 0.04 0.00 0.00 177.00 174.73 2k0r s GLU 18 N -0.58 0.50 0.03 4.56 2.12 0.11 -4.88 118.70 120.56 2k0r s GLU 18 Ca 0.54 0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.91 2k0r s GLU 18 Cb -0.36 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.31 2k0r s GLU 18 CO 0.41 -0.15 0.13 -1.17 -0.54 0.00 0.00 175.26 173.94 2k0r s LEU 19 N 1.19 4.07 -0.27 2.70 1.98 -1.05 -0.62 118.68 126.68 2k0r s LEU 19 Ca -0.07 0.17 -0.01 0.00 -2.89 0.00 0.00 54.13 51.34 2k0r s LEU 19 Cb -0.13 -2.55 0.15 0.00 0.66 0.00 0.00 46.19 44.31 2k0r s LEU 19 CO -0.02 0.22 0.39 0.00 -1.89 0.00 0.00 176.35 175.05 2k0r s ALA 20 N -1.34 -1.13 0.20 5.97 0.00 0.84 -3.24 121.76 123.06 2k0r s ALA 20 Ca 0.28 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 2k0r s ALA 20 Cb -0.12 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 2k0r s ALA 20 CO 0.20 -1.50 1.01 0.08 0.00 0.00 0.00 175.76 175.56 2k0r s VAL 21 N 2.54 4.04 0.37 0.00 1.01 -0.18 -0.45 120.40 127.73 2k0r s VAL 21 Ca 0.11 1.86 0.01 0.00 0.00 0.00 0.00 61.98 63.97 2k0r s VAL 21 Cb -0.14 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 2k0r s VAL 21 CO -0.23 0.37 0.03 0.00 0.00 0.00 0.00 175.10 175.27 2k0r n ALA 22 N 2.03 0.36 0.22 5.51 0.00 0.11 -4.77 120.51 123.97 2k0r n ALA 22 Ca 0.01 -1.70 0.12 0.00 0.00 0.00 0.00 53.44 51.86 2k0r n ALA 22 Cb 0.47 0.98 0.03 0.00 0.00 0.00 0.00 19.45 20.93 2k0r n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 23 N -1.34 0.80 -0.46 0.00 -0.08 -1.26 -3.92 116.55 110.29 2k0r n ASP 23 Ca -0.13 0.25 0.07 0.00 -1.51 0.00 0.00 54.79 53.47 2k0r n ASP 23 Cb 0.48 0.43 0.16 0.00 2.34 0.00 0.00 41.12 44.53 2k0r n ASP 23 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2k0r n ASP 24 N -2.52 2.92 0.00 1.67 8.00 -1.26 -5.04 116.55 120.32 2k0r n ASP 24 Ca 0.01 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.91 2k0r n ASP 24 Cb 0.52 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k0r n GLY 25 N -0.49 0.40 3.29 0.44 0.00 -1.25 -3.13 105.19 104.44 2k0r n GLY 25 Ca 0.14 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 2k0r n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 26 N -2.30 2.03 -0.09 1.61 1.01 -0.48 0.06 120.40 122.24 2k0r s VAL 26 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2k0r s VAL 26 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2k0r s VAL 26 CO 0.00 0.57 -0.22 0.20 0.00 0.00 0.00 175.10 175.65 2k0r s ASN 27 N -0.49 3.31 -0.07 3.32 -0.87 0.41 0.20 114.94 120.76 2k0r s ASN 27 Ca 0.06 -0.48 0.02 0.00 -1.57 0.00 0.00 52.86 50.89 2k0r s ASN 27 Cb -0.11 -1.27 0.02 0.00 -0.02 0.00 0.00 41.25 39.87 2k0r s ASN 27 CO 0.00 0.19 -0.10 0.54 -2.57 0.00 0.00 177.10 175.17 2k0r s VAL 28 N 0.15 0.97 -0.09 1.60 0.11 -0.70 -0.11 120.40 122.33 2k0r s VAL 28 Ca -0.12 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 2k0r s VAL 28 Cb -0.16 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2k0r s VAL 28 CO 0.07 0.33 -0.10 -0.60 -3.33 0.00 0.00 175.10 171.46 2k0r s ARG 29 N 0.89 1.61 -0.18 1.54 3.00 0.20 -0.11 118.95 125.91 2k0r s ARG 29 Ca -0.11 -0.34 0.01 0.00 -1.00 0.00 0.00 55.73 54.29 2k0r s ARG 29 Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 34.95 33.33 2k0r s ARG 29 CO 0.01 -0.11 -0.18 -0.59 0.00 0.00 0.00 175.30 174.43 2k0r s PHE 30 N 1.14 2.78 -0.35 5.12 -0.71 -0.00 0.09 117.98 126.06 2k0r s PHE 30 Ca -0.05 -1.46 -0.24 0.00 -1.04 0.00 0.00 56.93 54.13 2k0r s PHE 30 Cb -0.14 -1.92 0.01 0.00 -1.21 0.00 0.00 43.02 39.75 2k0r s PHE 30 CO -0.02 -0.72 0.85 1.03 -1.34 0.00 0.00 175.22 175.02 2k0r s ARG 31 N 1.19 3.85 0.05 1.99 0.52 -0.58 -2.96 118.95 123.02 2k0r s ARG 31 Ca 0.02 0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 55.68 2k0r s ARG 31 Cb -0.14 -3.78 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 2k0r s ARG 31 CO -0.09 -0.85 0.31 0.42 0.02 0.00 0.00 175.30 175.12 2k0r s ILE 32 N 3.23 5.23 0.58 1.52 1.01 0.11 -0.11 121.20 132.76 2k0r s ILE 32 Ca 0.35 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.99 2k0r s ILE 32 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2k0r s ILE 32 CO 0.16 0.28 1.24 0.00 0.00 0.00 0.00 174.94 176.63 2k0r s ALA 33 N -1.39 2.60 0.57 9.38 0.00 0.45 -4.16 121.76 129.22 2k0r s ALA 33 Ca 0.31 1.09 0.40 0.00 0.00 0.00 0.00 51.96 53.77 2k0r s ALA 33 Cb -0.13 -3.48 2.20 0.00 0.00 0.00 0.00 23.12 21.71 2k0r s ALA 33 CO 0.18 -1.22 2.24 0.22 0.00 0.00 0.00 175.76 177.19 2k0r h ASP 34 N 1.04 0.00 -0.41 0.00 3.58 -1.85 0.16 116.42 118.94 2k0r h ASP 34 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 2k0r h ASP 34 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.53 2k0r n GLY 35 N -1.12 1.26 3.15 -0.78 0.00 -1.26 -4.78 105.19 101.66 2k0r n GLY 35 Ca -0.03 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 2k0r n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0r s TYR 36 N -1.46 0.91 -0.20 1.61 2.02 0.55 -0.86 117.35 119.91 2k0r s TYR 36 Ca 0.36 -0.76 -0.15 0.00 -0.37 0.00 0.00 57.07 56.14 2k0r s TYR 36 Cb 0.19 -0.51 0.06 0.00 -0.40 0.00 0.00 41.96 41.30 2k0r s TYR 36 CO 0.27 -0.09 0.51 1.52 -1.57 0.00 0.00 175.55 176.19 2k0r s TYR 37 N -2.87 -0.66 -0.02 2.71 -0.85 0.02 -4.55 117.35 111.13 2k0r s TYR 37 Ca 0.06 1.48 0.04 0.00 -0.52 0.00 0.00 57.07 58.13 2k0r s TYR 37 Cb 0.00 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.60 2k0r s TYR 37 CO -0.02 -0.34 -0.11 -1.64 -1.52 0.00 0.00 175.55 171.92 2k0r s MET 38 N 0.84 2.47 -0.06 -3.49 -1.94 -1.04 -0.89 119.30 115.18 2k0r s MET 38 Ca -0.05 -0.74 -0.29 0.00 -1.71 0.00 0.00 55.69 52.91 2k0r s MET 38 Cb -0.05 -2.42 -0.02 0.00 2.01 0.00 0.00 34.83 34.35 2k0r s MET 38 CO -0.07 0.61 0.95 0.71 -0.01 0.00 0.00 175.02 177.21 2k0r s TYR 39 N -0.88 3.57 0.35 -0.03 2.02 -1.17 -1.23 117.35 119.98 2k0r s TYR 39 Ca 0.14 1.58 0.12 0.00 -0.37 0.00 0.00 57.07 58.54 2k0r s TYR 39 Cb -0.11 -3.11 0.91 0.00 -0.40 0.00 0.00 41.96 39.25 2k0r s TYR 39 CO 0.04 -0.11 1.78 0.37 -1.57 0.00 0.00 175.55 176.06 2k0r h GLN 40 N 6.97 0.57 -0.07 -0.62 4.15 -1.10 0.38 115.11 125.39 2k0r h GLN 40 Ca -0.36 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 58.88 2k0r h GLN 40 Cb 1.18 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2k0r h GLN 40 CO 0.80 0.38 -0.59 0.00 -1.93 0.00 0.00 178.83 177.48 2k0r h ALA 41 N 1.64 0.86 0.01 3.38 0.00 -1.92 -3.15 119.26 120.08 2k0r h ALA 41 Ca 0.57 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 2k0r h ALA 41 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k0r h ALA 41 CO -0.33 0.72 -0.97 0.87 0.00 0.00 0.00 179.25 179.54 2k0r h LYS 42 N 0.17 0.44 -6.94 0.00 1.79 -0.74 -3.45 116.57 107.84 2k0r h LYS 42 Ca -0.00 -0.48 -0.52 0.00 -2.18 0.00 0.00 60.65 57.46 2k0r h LYS 42 Cb 1.09 0.14 0.08 0.00 -1.58 0.00 0.00 32.23 31.96 2k0r h LYS 42 CO 0.09 1.14 0.61 0.42 -1.08 0.00 0.00 179.45 180.62 2k0r s ILE 43 N -3.25 2.66 0.06 1.86 1.01 0.85 -4.55 121.20 119.84 2k0r s ILE 43 Ca -0.06 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.21 2k0r s ILE 43 Cb 0.08 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 2k0r s ILE 43 CO 0.87 0.09 -0.10 -0.69 0.00 0.00 0.00 174.94 175.12 2k0r s VAL 44 N -1.26 0.76 -0.30 2.92 1.01 0.73 -4.94 120.40 119.31 2k0r s VAL 44 Ca 0.56 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2k0r s VAL 44 Cb -0.38 -0.95 0.18 0.00 0.00 0.00 0.00 36.38 35.23 2k0r s VAL 44 CO 0.48 -0.42 1.00 -0.83 0.00 0.00 0.00 175.10 175.33 2k0r s GLY 45 N -1.91 -0.32 -0.01 4.51 0.00 -1.23 -0.87 107.32 107.49 2k0r s GLY 45 Ca -0.03 2.83 -0.00 0.00 0.00 0.00 0.00 44.72 47.52 2k0r s GLY 45 CO 0.00 3.57 0.02 1.25 0.00 0.00 0.00 173.10 177.94 2k0r s LYS 46 N 2.74 -0.01 -0.06 2.90 2.36 -0.32 -4.94 119.74 122.40 2k0r s LYS 46 Ca 0.01 0.09 -0.00 0.00 -2.55 0.00 0.00 55.97 53.51 2k0r s LYS 46 Cb -0.09 -0.10 0.02 0.00 -1.05 0.00 0.00 37.83 36.62 2k0r s LYS 46 CO -0.14 -0.07 -0.03 -0.08 1.55 0.00 0.00 175.35 176.58 2k0r s THR 47 N 0.45 0.49 0.00 3.43 -1.32 -1.26 0.02 115.64 117.46 2k0r s THR 47 Ca -0.04 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 2k0r s THR 47 Cb -0.05 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 2k0r s THR 47 CO -0.01 0.25 0.00 -3.20 -2.21 0.00 0.00 174.62 169.45 2k0r n ASN 48 N 4.62 0.00 0.07 8.08 4.05 -0.13 -4.78 115.26 127.17 2k0r n ASN 48 Ca -0.16 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 54.83 2k0r n ASN 48 Cb 0.50 0.00 0.18 0.00 1.23 0.00 0.00 39.78 41.69 2k0r n ASN 48 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2k0r h PRO 49 N 0.00 0.29 0.00 1.20 0.13 -1.83 -2.19 132.00 129.60 2k0r h PRO 49 Ca 0.00 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2k0r h PRO 49 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2k0r h PRO 49 CO 0.00 0.70 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 2k0r n ALA 50 N -2.48 1.30 -2.68 -0.56 0.00 -1.26 -4.79 120.51 110.05 2k0r n ALA 50 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 2k0r n ALA 50 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 2k0r n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 51 N -1.71 -1.57 -0.07 0.00 2.03 -1.26 -4.96 116.55 109.01 2k0r n ASP 51 Ca 0.00 -2.12 0.09 0.00 0.52 0.00 0.00 54.79 53.28 2k0r n ASP 51 Cb 0.00 0.97 -0.10 0.00 -0.72 0.00 0.00 41.12 41.28 2k0r n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k0r n LEU 52 N -0.60 1.07 -4.74 -2.67 4.77 -1.26 -4.98 117.00 108.58 2k0r n LEU 52 Ca -0.12 -0.54 -0.35 0.00 -0.03 0.00 0.00 56.01 54.96 2k0r n LEU 52 Cb 0.77 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.92 2k0r n LEU 52 CO -0.09 0.25 0.83 -0.22 -1.33 0.00 0.00 177.39 176.83 2k0r s LEU 53 N -2.84 3.52 0.00 2.23 2.96 -1.26 -3.14 118.68 120.15 2k0r s LEU 53 Ca 0.09 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 2k0r s LEU 53 Cb 0.15 -4.60 0.00 0.00 0.50 0.00 0.00 46.19 42.24 2k0r s LEU 53 CO 0.76 -1.88 0.00 0.61 -1.32 0.00 0.00 176.35 174.53 2k0r n GLY 54 N 0.48 1.80 3.03 7.98 0.00 -1.12 -4.72 105.19 112.63 2k0r n GLY 54 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2k0r n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0r s GLN 55 N 0.04 0.41 0.65 1.61 0.00 -1.26 -5.03 119.66 116.08 2k0r s GLN 55 Ca 0.00 -0.75 -0.15 0.00 -0.00 0.00 0.00 55.36 54.46 2k0r s GLN 55 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 33.01 33.15 2k0r s GLN 55 CO 0.00 -0.08 1.11 -1.25 0.00 0.00 0.00 175.29 175.07 2k0r s PRO 56 N -2.12 2.84 -0.48 9.60 0.04 -1.26 -4.15 135.00 139.47 2k0r s PRO 56 Ca -0.10 1.40 0.03 0.00 0.04 0.00 0.00 61.00 62.38 2k0r s PRO 56 Cb -0.05 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.69 2k0r s PRO 56 CO -0.03 -1.22 0.32 -1.12 0.04 0.00 0.00 177.00 174.99 2k0r s SER 57 N -2.53 3.08 0.62 6.66 0.01 0.10 -4.94 113.70 116.71 2k0r s SER 57 Ca 0.67 -2.98 -0.19 0.00 1.31 0.00 0.00 55.95 54.76 2k0r s SER 57 Cb -0.21 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 2k0r s SER 57 CO 0.40 -0.20 1.28 -0.36 0.41 0.00 0.00 173.24 174.77 2k0r s PHE 58 N -0.05 2.19 -1.44 2.43 0.08 -1.26 -0.07 117.98 119.86 2k0r s PHE 58 Ca 0.24 1.48 0.23 0.00 0.12 0.00 0.00 56.93 59.00 2k0r s PHE 58 Cb -0.11 -3.66 1.16 0.00 -0.57 0.00 0.00 43.02 39.85 2k0r s PHE 58 CO -0.10 -2.74 1.75 0.45 -0.10 0.00 0.00 175.22 174.48 2k0r n SER 59 N -1.69 0.00 -2.11 1.36 2.88 0.10 -4.86 113.62 109.30 2k0r n SER 59 Ca 0.14 -0.05 -0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2k0r n SER 59 Cb 0.48 -0.28 -0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2k0r n SER 59 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k0r n LYS 60 N -1.28 -4.13 0.00 -1.46 3.00 -1.26 -4.98 118.16 108.04 2k0r n LYS 60 Ca 0.11 3.11 0.00 0.00 -0.00 0.00 0.00 58.31 61.53 2k0r n LYS 60 Cb 0.18 -3.93 0.00 0.00 0.00 0.00 0.00 35.03 31.28 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k0r n GLY 61 N 1.46 1.43 3.46 3.14 0.00 -1.26 -5.08 105.19 108.35 2k0r n GLY 61 Ca -0.03 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 2k0r n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0r s GLU 62 N 4.57 3.55 0.00 1.61 2.56 0.65 -4.82 118.70 126.83 2k0r s GLU 62 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 54.97 54.10 2k0r s GLU 62 Cb 0.00 -2.81 -0.03 0.00 2.00 0.00 0.00 34.13 33.29 2k0r s GLU 62 CO 0.00 0.25 0.99 -1.21 -0.56 0.00 0.00 175.26 174.73 2k0r s GLU 63 N 0.31 4.55 0.04 4.30 2.02 -1.26 -1.15 118.70 127.51 2k0r s GLU 63 Ca -0.06 1.43 -0.08 0.00 0.02 0.00 0.00 54.97 56.28 2k0r s GLU 63 Cb -0.15 -3.46 -0.00 0.00 0.10 0.00 0.00 34.13 30.63 2k0r s GLU 63 CO 0.04 -0.06 0.17 -1.59 0.02 0.00 0.00 175.26 173.83 2k0r s LYS 64 N 1.03 0.65 -0.11 1.61 0.00 -0.56 -4.97 119.74 117.39 2k0r s LYS 64 Ca 0.52 -0.65 0.00 0.00 0.00 0.00 0.00 55.97 55.85 2k0r s LYS 64 Cb -0.21 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.86 2k0r s LYS 64 CO 0.28 -0.18 -0.12 -1.21 0.00 0.00 0.00 175.35 174.12 2k0r s GLU 65 N -2.50 3.16 0.00 1.78 2.02 -1.26 -1.46 118.70 120.44 2k0r s GLU 65 Ca -0.06 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2k0r s GLU 65 Cb -0.01 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2k0r s GLU 65 CO -0.04 0.35 0.00 -3.47 0.02 0.00 0.00 175.26 172.12 2k0r n ASP 66 N 3.13 0.00 -0.21 -0.19 2.03 -0.34 -4.91 116.55 116.07 2k0r n ASP 66 Ca -0.18 -0.88 0.06 0.00 0.52 0.00 0.00 54.79 54.32 2k0r n ASP 66 Cb 0.53 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.91 2k0r n ASP 66 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k0r n GLU 67 N 0.00 2.21 0.00 -0.67 0.28 -1.26 -2.43 120.64 118.76 2k0r n GLU 67 Ca 0.00 -0.51 0.14 0.00 -0.16 0.00 0.00 57.16 56.63 2k0r n GLU 67 Cb 0.00 -1.14 0.61 0.00 1.43 0.00 0.00 31.44 32.35 2k0r n GLU 67 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2k0r n PHE 68 N -0.48 0.00 0.00 -1.84 3.01 -1.26 -4.64 117.46 112.25 2k0r n PHE 68 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2k0r n PHE 68 Cb 0.24 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2k0r n PHE 68 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 2k0r n PHE 69 N -0.19 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.49 2k0r n PHE 69 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 2k0r n PHE 69 Cb 0.30 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.30 2k0r n PHE 69 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k0r n GLY 70 N -0.38 0.23 3.40 4.97 0.00 -1.02 -4.91 105.19 107.48 2k0r n GLY 70 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 2k0r n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k0r s ARG 71 N 0.00 3.07 0.26 1.61 1.70 -1.26 -1.19 118.95 123.14 2k0r s ARG 71 Ca 0.00 -1.18 -0.13 0.00 -0.47 0.00 0.00 55.73 53.96 2k0r s ARG 71 Cb 0.00 -4.19 -0.00 0.00 -0.57 0.00 0.00 34.95 30.18 2k0r s ARG 71 CO 0.00 -1.37 0.50 -1.14 -1.08 0.00 0.00 175.30 172.21 2k0r s GLN 72 N 2.53 1.61 0.15 3.89 2.00 -0.54 -4.94 119.66 124.36 2k0r s GLN 72 Ca 0.12 -1.28 -0.26 0.00 -2.00 0.00 0.00 55.36 51.93 2k0r s GLN 72 Cb -0.23 0.48 -0.08 0.00 0.80 0.00 0.00 33.01 33.99 2k0r s GLN 72 CO 0.08 -0.68 0.81 0.99 -0.50 0.00 0.00 175.29 175.99 2k0r s THR 73 N -3.88 4.40 0.25 -0.34 2.01 -1.26 -1.49 115.64 115.32 2k0r s THR 73 Ca 0.22 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.99 2k0r s THR 73 Cb -0.01 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2k0r s THR 73 CO 0.10 0.48 0.23 0.68 -0.69 0.00 0.00 174.62 175.41 2k0r s VAL 74 N -0.88 0.00 -0.06 3.82 -7.23 -0.30 -0.46 120.40 115.30 2k0r s VAL 74 Ca 0.38 -1.92 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 2k0r s VAL 74 Cb -0.23 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2k0r s VAL 74 CO 0.27 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.50 2k0r s TYR 75 N -3.86 2.44 -1.83 2.82 2.02 -0.37 -0.25 117.35 118.32 2k0r s TYR 75 Ca 0.38 -0.71 0.21 0.00 -0.37 0.00 0.00 57.07 56.58 2k0r s TYR 75 Cb 0.05 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2k0r s TYR 75 CO 0.17 -0.21 1.02 -2.39 -1.57 0.00 0.00 175.55 172.57 2k0r n HIS 76 N 2.93 0.00 0.03 2.71 1.44 -1.26 -2.51 115.22 118.56 2k0r n HIS 76 Ca -0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.54 2k0r n HIS 76 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 2k0r n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k0r n HIS 77 N -0.17 -1.60 -3.10 -1.40 -0.00 -1.26 -4.21 115.22 103.49 2k0r n HIS 77 Ca 0.08 0.17 -0.40 0.00 -0.00 0.00 0.00 57.72 57.57 2k0r n HIS 77 Cb 0.43 0.65 -0.06 0.00 -0.00 0.00 0.00 29.99 31.01 2k0r n HIS 77 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2k0r s GLU 78 N -2.00 4.15 -0.34 1.57 -1.05 -1.26 0.04 118.70 119.81 2k0r s GLU 78 Ca 0.00 0.60 0.01 0.00 -0.15 0.00 0.00 54.97 55.43 2k0r s GLU 78 Cb 0.00 -3.62 0.14 0.00 -0.44 0.00 0.00 34.13 30.21 2k0r s GLU 78 CO 0.00 -0.35 0.30 0.00 0.95 0.00 0.00 175.26 176.16 2k0r s ALA 79 N 2.30 -0.07 0.09 -0.84 0.00 -1.16 -4.74 121.76 117.34 2k0r s ALA 79 Ca 0.28 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.33 2k0r s ALA 79 Cb -0.16 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2k0r s ALA 79 CO 0.09 -1.99 -0.26 -1.14 0.00 0.00 0.00 175.76 172.46 2k0r s GLN 80 N 1.64 1.53 -0.01 0.00 0.74 -1.26 -0.82 119.66 121.49 2k0r s GLN 80 Ca 0.15 -1.22 0.03 0.00 0.05 0.00 0.00 55.36 54.36 2k0r s GLN 80 Cb -0.17 -1.87 -0.01 0.00 1.10 0.00 0.00 33.01 32.07 2k0r s GLN 80 CO -0.13 0.46 -0.08 0.08 -0.55 0.00 0.00 175.29 175.07 2k0r s VAL 81 N -0.95 0.66 -0.18 1.34 1.01 0.85 0.03 120.40 123.16 2k0r s VAL 81 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 2k0r s VAL 81 Cb -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2k0r s VAL 81 CO 0.04 0.18 0.04 0.00 0.00 0.00 0.00 175.10 175.37 2k0r s ALA 82 N -0.21 3.33 -0.82 5.51 0.00 0.89 -1.73 121.76 128.74 2k0r s ALA 82 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2k0r s ALA 82 Cb -0.03 -1.86 0.20 0.00 0.00 0.00 0.00 23.12 21.43 2k0r s ALA 82 CO -0.00 0.17 0.67 -0.06 0.00 0.00 0.00 175.76 176.54 2k0r s PHE 83 N 0.39 3.77 0.24 0.00 0.08 0.13 0.02 117.98 122.61 2k0r s PHE 83 Ca 0.02 -3.11 -0.30 0.00 0.12 0.00 0.00 56.93 53.66 2k0r s PHE 83 Cb -0.13 -3.08 -0.09 0.00 -0.57 0.00 0.00 43.02 39.15 2k0r s PHE 83 CO 0.01 -0.69 1.27 -1.25 -0.10 0.00 0.00 175.22 174.47 2k0r s PRO 84 N -1.31 4.42 0.59 0.24 0.04 -1.26 -1.38 135.00 136.34 2k0r s PRO 84 Ca 0.26 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 84 Cb -0.07 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2k0r s PRO 84 CO -0.13 -0.16 1.04 0.71 0.04 0.00 0.00 177.00 178.50 2k0r s TYR 85 N -0.38 3.13 -0.01 0.56 2.02 -1.18 -2.77 117.35 118.71 2k0r s TYR 85 Ca 0.53 1.49 0.04 0.00 -0.37 0.00 0.00 57.07 58.75 2k0r s TYR 85 Cb -0.36 -2.94 -0.05 0.00 -0.40 0.00 0.00 41.96 38.20 2k0r s TYR 85 CO 0.42 -0.94 0.07 0.00 -1.57 0.00 0.00 175.55 173.53 2k0r n ALA 86 N -2.05 2.09 -2.95 3.71 0.00 -1.19 -4.57 120.51 115.56 2k0r n ALA 86 Ca 0.08 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2k0r n ALA 86 Cb 0.53 -0.06 -0.13 0.00 0.00 0.00 0.00 19.45 19.80 2k0r n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k0r s LYS 87 N -2.22 0.15 0.42 0.00 -0.14 -1.22 -4.97 119.74 111.77 2k0r s LYS 87 Ca -0.01 -0.14 -0.24 0.00 -1.36 0.00 0.00 55.97 54.22 2k0r s LYS 87 Cb 0.02 0.06 -0.11 0.00 -1.68 0.00 0.00 37.83 36.13 2k0r s LYS 87 CO 0.15 -0.03 0.92 0.00 -0.76 0.00 0.00 175.35 175.63 2k0r n ALA 88 N 2.57 -0.17 -3.64 5.17 0.00 -1.26 -4.97 120.51 118.21 2k0r n ALA 88 Ca -0.16 0.21 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2k0r n ALA 88 Cb 0.58 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 2k0r n ALA 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2k0r s VAL 89 N -1.32 -0.02 -0.26 0.00 -7.23 -1.26 -5.03 120.40 105.29 2k0r s VAL 89 Ca 0.64 0.08 0.04 0.00 -1.81 0.00 0.00 61.98 60.93 2k0r s VAL 89 Cb -0.57 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2k0r s VAL 89 CO 0.57 0.03 0.25 0.61 -0.31 0.00 0.00 175.10 176.25 2k0r n GLY 90 N 4.07 0.35 3.99 2.32 0.00 -1.26 -5.04 105.19 109.62 2k0r n GLY 90 Ca -0.22 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 2k0r n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 91 N -1.23 3.04 0.47 1.61 2.02 -1.26 -5.09 118.70 118.26 2k0r s GLU 91 Ca 0.02 -1.03 -0.23 0.00 0.02 0.00 0.00 54.97 53.76 2k0r s GLU 91 Cb 0.03 -2.78 -0.07 0.00 0.10 0.00 0.00 34.13 31.41 2k0r s GLU 91 CO 0.15 -0.05 1.16 -1.25 0.02 0.00 0.00 175.26 175.29 2k0r s PRO 92 N -4.25 3.73 0.34 0.39 0.04 -1.26 -4.95 135.00 129.03 2k0r s PRO 92 Ca 0.48 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.34 2k0r s PRO 92 Cb -0.10 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 2k0r s PRO 92 CO 0.32 -0.57 0.00 1.52 0.04 0.00 0.00 177.00 178.31 2k0r s TYR 93 N -1.56 2.14 0.07 0.56 1.13 -0.80 -4.62 117.35 114.27 2k0r s TYR 93 Ca 0.64 -0.78 0.04 0.00 -1.41 0.00 0.00 57.07 55.56 2k0r s TYR 93 Cb -0.28 -1.38 -0.04 0.00 -1.10 0.00 0.00 41.96 39.16 2k0r s TYR 93 CO 0.34 0.24 -0.01 0.21 -2.51 0.00 0.00 175.55 173.82 2k0r s LYS 94 N -3.78 2.59 0.04 -3.49 2.36 -0.82 -1.48 119.74 115.16 2k0r s LYS 94 Ca 0.34 -0.79 0.09 0.00 -2.55 0.00 0.00 55.97 53.06 2k0r s LYS 94 Cb 0.07 -2.56 -0.03 0.00 -1.05 0.00 0.00 37.83 34.26 2k0r s LYS 94 CO 0.15 0.56 -0.25 -1.17 1.55 0.00 0.00 175.35 176.20 2k0r s LEU 95 N -2.09 2.25 -0.17 5.43 0.20 0.82 -0.96 118.68 124.16 2k0r s LEU 95 Ca 0.24 -0.56 -0.04 0.00 0.69 0.00 0.00 54.13 54.45 2k0r s LEU 95 Cb -0.12 -1.33 0.06 0.00 -0.43 0.00 0.00 46.19 44.37 2k0r s LEU 95 CO 0.16 0.26 0.08 -0.69 -0.29 0.00 0.00 176.35 175.87 2k0r s VAL 96 N -0.83 0.02 -0.04 1.68 1.01 0.10 -1.01 120.40 121.34 2k0r s VAL 96 Ca 0.12 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.97 2k0r s VAL 96 Cb -0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2k0r s VAL 96 CO 0.03 -0.24 -0.24 -0.76 0.00 0.00 0.00 175.10 173.89 2k0r s LEU 97 N 2.09 2.16 -0.09 3.92 1.43 0.10 -1.18 118.68 127.10 2k0r s LEU 97 Ca 0.02 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2k0r s LEU 97 Cb -0.16 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2k0r s LEU 97 CO -0.08 0.28 -0.08 -0.89 0.23 0.00 0.00 176.35 175.81 2k0r s THR 98 N -0.40 0.98 -0.11 5.49 2.01 -0.04 0.01 115.64 123.59 2k0r s THR 98 Ca 0.03 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2k0r s THR 98 Cb -0.12 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2k0r s THR 98 CO 0.01 0.35 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.95 2k0r s TYR 99 N 1.37 3.04 -0.22 4.92 2.02 0.08 -0.19 117.35 128.37 2k0r s TYR 99 Ca -0.02 -0.05 -0.10 0.00 -0.37 0.00 0.00 57.07 56.54 2k0r s TYR 99 Cb -0.14 -1.84 0.09 0.00 -0.40 0.00 0.00 41.96 39.67 2k0r s TYR 99 CO -0.04 0.23 0.50 -1.14 -1.57 0.00 0.00 175.55 173.53 2k0r s GLN 100 N -0.35 0.45 0.00 -0.62 0.74 -1.26 -0.21 119.66 118.41 2k0r s GLN 100 Ca 0.06 1.08 0.00 0.00 0.05 0.00 0.00 55.36 56.55 2k0r s GLN 100 Cb -0.12 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.29 2k0r s GLN 100 CO 0.02 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 2k0r n GLY 101 N 4.91 2.67 3.32 2.59 0.00 -1.26 -3.04 105.19 114.38 2k0r n GLY 101 Ca -0.15 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 2k0r n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k0r s SER 102 N 2.00 0.08 0.11 1.61 0.15 -0.07 -3.85 113.70 113.74 2k0r s SER 102 Ca 0.00 -1.04 -0.22 0.00 0.70 0.00 0.00 55.95 55.39 2k0r s SER 102 Cb 0.00 0.43 -0.07 0.00 -1.71 0.00 0.00 66.02 64.67 2k0r s SER 102 CO 0.00 -0.90 0.66 0.00 1.20 0.00 0.00 173.24 174.21 2k0r s ALA 103 N -4.03 3.52 0.66 5.45 0.00 0.95 -0.80 121.76 127.51 2k0r s ALA 103 Ca 0.24 0.18 0.41 0.00 0.00 0.00 0.00 51.96 52.78 2k0r s ALA 103 Cb 0.04 -2.79 2.23 0.00 0.00 0.00 0.00 23.12 22.60 2k0r s ALA 103 CO 0.04 0.33 2.27 0.93 0.00 0.00 0.00 175.76 179.34 2k0r h GLU 104 N 4.53 0.00 0.00 0.00 4.39 -1.31 0.51 114.58 122.70 2k0r h GLU 104 Ca -0.48 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.08 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2k0r h GLU 104 CO 0.65 0.00 -0.65 0.00 -1.16 0.00 0.00 179.01 177.85 2k0r h ALA 105 N 1.86 0.81 0.00 3.43 0.00 -1.90 -3.47 119.26 119.99 2k0r h ALA 105 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2k0r h ALA 105 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k0r h ALA 105 CO -0.00 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2k0r n GLY 106 N 0.58 0.89 3.18 0.00 0.00 0.16 -5.16 105.19 104.84 2k0r n GLY 106 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2k0r n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 107 N -0.67 1.36 -0.22 1.61 1.01 -1.18 -4.95 120.40 117.37 2k0r s VAL 107 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.04 2k0r s VAL 107 Cb 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.24 2k0r s VAL 107 CO 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 175.10 175.15 2k0r s TYR 109 N 1.20 2.92 0.71 0.00 1.13 -1.25 -5.05 117.35 117.01 2k0r s TYR 109 Ca -0.02 -0.18 -0.13 0.00 -1.41 0.00 0.00 57.07 55.33 2k0r s TYR 109 Cb -0.16 -1.38 0.03 0.00 -1.10 0.00 0.00 41.96 39.35 2k0r s TYR 109 CO -0.09 0.52 1.10 -1.25 -2.51 0.00 0.00 175.55 173.32 2k0r s PRO 110 N -3.80 2.54 0.60 -3.49 0.04 -1.26 -4.63 135.00 125.01 2k0r s PRO 110 Ca 0.33 1.29 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 2k0r s PRO 110 Cb -0.07 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2k0r s PRO 110 CO 0.23 -1.44 1.12 -1.25 0.04 0.00 0.00 177.00 175.70 2k0r s PRO 111 N -4.47 3.07 -0.18 0.56 0.04 -1.26 -4.85 135.00 127.91 2k0r s PRO 111 Ca 0.64 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2k0r s PRO 111 Cb -0.19 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.41 2k0r s PRO 111 CO 0.48 -1.05 -0.09 0.08 0.04 0.00 0.00 177.00 176.46 2k0r s VAL 112 N -2.07 1.44 -0.11 -0.36 1.01 0.71 -4.98 120.40 116.05 2k0r s VAL 112 Ca 0.70 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2k0r s VAL 112 Cb -0.22 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2k0r s VAL 112 CO 0.34 0.22 0.14 -0.62 0.00 0.00 0.00 175.10 175.19 2k0r s ASP 113 N 1.50 6.37 -0.13 3.32 2.15 -1.26 -0.74 116.67 127.88 2k0r s ASP 113 Ca 0.01 0.45 -0.06 0.00 0.43 0.00 0.00 52.55 53.38 2k0r s ASP 113 Cb -0.15 -2.05 0.06 0.00 -0.30 0.00 0.00 42.92 40.47 2k0r s ASP 113 CO -0.08 0.39 0.28 -0.89 -0.17 0.00 0.00 175.17 174.70 2k0r s THR 114 N -1.06 -0.19 -0.09 1.71 2.01 0.10 -5.00 115.64 113.13 2k0r s THR 114 Ca 0.16 0.18 -0.03 0.00 0.31 0.00 0.00 61.69 62.32 2k0r s THR 114 Cb -0.12 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2k0r s THR 114 CO 0.05 0.08 0.03 -1.61 -0.69 0.00 0.00 174.62 172.48 2k0r s GLU 115 N 1.71 3.08 -0.12 4.92 2.02 -1.26 -0.73 118.70 128.33 2k0r s GLU 115 Ca -0.06 -0.35 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2k0r s GLU 115 Cb -0.11 -2.88 0.01 0.00 0.10 0.00 0.00 34.13 31.26 2k0r s GLU 115 CO -0.09 0.72 -0.18 -0.06 0.02 0.00 0.00 175.26 175.66 2k0r s PHE 116 N -0.92 2.25 -0.31 1.61 0.08 -0.18 -4.94 117.98 115.57 2k0r s PHE 116 Ca 0.14 -1.07 -0.23 0.00 0.12 0.00 0.00 56.93 55.89 2k0r s PHE 116 Cb -0.11 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2k0r s PHE 116 CO 0.03 -0.51 0.77 -0.51 -0.10 0.00 0.00 175.22 174.90 2k0r s ASP 117 N 0.84 6.64 -0.22 1.36 1.11 -1.26 -0.13 116.67 125.01 2k0r s ASP 117 Ca -0.08 0.62 -0.10 0.00 0.18 0.00 0.00 52.55 53.16 2k0r s ASP 117 Cb -0.15 -2.40 -0.05 0.00 1.07 0.00 0.00 42.92 41.39 2k0r s ASP 117 CO -0.00 -0.60 0.14 -0.63 1.18 0.00 0.00 175.17 175.26 2k0r s ILE 118 N 2.91 5.38 -0.00 0.77 -1.09 -0.55 -4.92 121.20 123.70 2k0r s ILE 118 Ca 0.31 0.18 0.04 0.00 -2.23 0.00 0.00 60.65 58.96 2k0r s ILE 118 Cb -0.14 -3.48 0.07 0.00 -1.58 0.00 0.00 42.46 37.33 2k0r s ILE 118 CO 0.13 0.39 1.03 2.22 -1.23 0.00 0.00 174.94 177.48 2k0r n PHE 119 N 3.91 -0.01 -0.17 3.97 1.16 -1.26 -1.91 117.46 123.15 2k0r n PHE 119 Ca -0.16 -0.51 0.00 0.00 -1.87 0.00 0.00 57.45 54.92 2k0r n PHE 119 Cb 0.52 0.40 0.00 0.00 -1.61 0.00 0.00 39.48 38.79 2k0r n PHE 119 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0r n GLY 120 N 0.07 -0.04 0.02 4.97 0.00 -1.26 -5.00 105.19 103.95 2k0r n GLY 120 Ca -0.22 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2k0r n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k0r n ASN 121 N 0.00 0.00 0.00 1.61 4.05 -1.26 -5.07 115.26 114.59 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k0r n GLY 122 N -0.66 1.92 3.76 8.20 0.00 -1.26 -4.97 105.19 112.18 2k0r n GLY 122 Ca 0.00 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 2k0r n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0r s THR 123 N 0.00 4.90 0.02 2.61 2.01 -1.26 -1.01 115.64 122.90 2k0r s THR 123 Ca 0.00 1.30 -0.03 0.00 0.31 0.00 0.00 61.69 63.27 2k0r s THR 123 Cb 0.00 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 2k0r s THR 123 CO 0.00 0.40 0.04 -0.31 -0.69 0.00 0.00 174.62 174.06 2k0r s TYR 124 N -0.11 0.18 0.03 4.92 1.51 -1.20 -4.98 117.35 117.70 2k0r s TYR 124 Ca 0.32 -0.39 -0.12 0.00 -1.01 0.00 0.00 57.07 55.88 2k0r s TYR 124 Cb -0.18 -0.14 0.01 0.00 -0.11 0.00 0.00 41.96 41.54 2k0r s TYR 124 CO 0.18 -0.24 0.25 -1.01 -1.11 0.00 0.00 175.55 173.62 2k0r s HIS 125 N -1.55 -0.04 0.21 2.71 3.76 -1.26 -2.54 115.29 116.59 2k0r s HIS 125 Ca -0.15 -0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 2k0r s HIS 125 Cb -0.08 0.03 -0.09 0.00 1.11 0.00 0.00 32.58 33.55 2k0r s HIS 125 CO -0.00 -0.45 1.30 -1.25 -0.85 0.00 0.00 174.74 173.49 2k0r s PRO 126 N -2.34 4.40 -0.92 8.40 0.04 -1.26 -4.95 135.00 138.36 2k0r s PRO 126 Ca -0.07 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2k0r s PRO 126 Cb -0.02 -3.19 0.34 0.00 0.04 0.00 0.00 34.50 31.67 2k0r s PRO 126 CO -0.02 -0.22 1.91 1.04 0.04 0.00 0.00 177.00 179.75 2k0r n GLN 127 N 2.43 4.02 0.00 4.56 6.02 -1.26 -5.19 117.38 127.96 2k0r n GLN 127 Ca 0.05 -4.08 0.00 0.00 -0.01 0.00 0.00 57.00 52.96 2k0r n GLN 127 Cb 0.43 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.33 2k0r n GLN 127 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68