#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 -2.35 -0.09 3.17 0.00 -1.26 -4.47 121.76 116.75 2k0r s ALA 2 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 51.96 52.17 2k0r s ALA 2 Cb 0.00 0.82 0.29 0.00 0.00 0.00 0.00 23.12 24.23 2k0r s ALA 2 CO 0.00 -1.13 1.14 -0.11 0.00 0.00 0.00 175.76 175.66 2k0r n LEU 3 N -0.83 1.60 -1.85 0.00 0.00 -1.26 -4.96 117.00 109.69 2k0r n LEU 3 Ca 0.02 -2.58 -0.18 0.00 0.00 0.00 0.00 56.01 53.26 2k0r n LEU 3 Cb 0.59 -0.26 -0.05 0.00 0.00 0.00 0.00 43.42 43.70 2k0r n LEU 3 CO 0.16 0.74 -0.20 0.47 0.00 0.00 0.00 177.39 178.56 2k0r n ASP 4 N -0.58 -5.05 -2.71 1.96 8.00 -1.26 -4.82 116.55 112.09 2k0r n ASP 4 Ca 0.11 0.31 -0.07 0.00 0.71 0.00 0.00 54.79 55.85 2k0r n ASP 4 Cb 0.78 -4.40 0.06 0.00 -0.02 0.00 0.00 41.12 37.54 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 -0.05 -2.34 -3.89 2.24 0.00 -1.26 -4.32 120.51 110.89 2k0r n ALA 5 Ca -0.20 -0.93 0.04 0.00 0.00 0.00 0.00 53.44 52.36 2k0r n ALA 5 Cb 0.63 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.93 2k0r n ALA 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k0r s ASN 6 N -1.07 -0.00 -0.12 0.00 4.22 -1.26 -4.05 114.94 112.65 2k0r s ASN 6 Ca 0.29 -0.02 0.11 0.00 -2.14 0.00 0.00 52.86 51.09 2k0r s ASN 6 Cb 0.22 0.02 0.52 0.00 1.28 0.00 0.00 41.25 43.28 2k0r s ASN 6 CO -0.18 -0.04 1.33 -0.90 -2.04 0.00 0.00 177.10 175.28 2k0r n ASP 7 N -0.85 3.76 0.00 3.54 5.75 -1.26 -3.90 116.55 123.60 2k0r n ASP 7 Ca 0.01 -2.47 0.11 0.00 -0.01 0.00 0.00 54.79 52.44 2k0r n ASP 7 Cb 0.60 -0.55 0.12 0.00 -1.03 0.00 0.00 41.12 40.25 2k0r n ASP 7 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k0r n LEU 8 N 0.54 0.68 -4.76 -2.12 4.32 -1.26 -4.92 117.00 109.47 2k0r n LEU 8 Ca 0.18 -0.17 -0.23 0.00 -0.02 0.00 0.00 56.01 55.77 2k0r n LEU 8 Cb 0.76 -0.16 -0.05 0.00 -1.62 0.00 0.00 43.42 42.35 2k0r n LEU 8 CO 0.19 0.17 -0.23 -1.48 -1.22 0.00 0.00 177.39 174.82 2k0r s LEU 9 N -3.02 3.62 0.67 2.23 0.05 -1.25 -4.70 118.68 116.27 2k0r s LEU 9 Ca 0.10 -0.35 -0.14 0.00 0.05 0.00 0.00 54.13 53.78 2k0r s LEU 9 Cb 0.17 -2.16 0.01 0.00 -2.05 0.00 0.00 46.19 42.15 2k0r s LEU 9 CO 0.76 -0.01 1.11 -2.16 -0.55 0.00 0.00 176.35 175.50 2k0r s PRO 10 N -3.67 2.74 0.11 1.48 0.04 -1.26 -4.86 135.00 129.57 2k0r s PRO 10 Ca 0.32 1.37 0.18 0.00 0.04 0.00 0.00 61.00 62.91 2k0r s PRO 10 Cb -0.08 -1.94 0.76 0.00 0.04 0.00 0.00 34.50 33.28 2k0r s PRO 10 CO 0.23 -1.30 1.56 -0.35 0.04 0.00 0.00 177.00 177.18 2k0r n PRO 11 N -2.54 0.08 0.06 0.56 -0.04 -1.26 -1.07 135.00 130.79 2k0r n PRO 11 Ca 0.10 0.33 -0.14 0.00 -0.04 0.00 0.00 63.50 63.75 2k0r n PRO 11 Cb 0.52 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.45 0.00 0.54 -0.00 -1.92 -3.30 114.58 110.35 2k0r h GLU 12 Ca 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2k0r h GLU 12 Cb 0.29 0.14 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 2k0r h GLU 12 CO 0.00 1.13 -1.21 0.36 -0.00 0.00 0.00 179.01 179.29 2k0r n LYS 13 N -3.76 0.82 0.28 1.06 -0.00 -1.09 -4.30 118.16 111.17 2k0r n LYS 13 Ca -0.07 -0.06 0.16 0.00 -0.00 0.00 0.00 58.31 58.34 2k0r n LYS 13 Cb 0.84 -1.39 0.81 0.00 -0.00 0.00 0.00 35.03 35.29 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 2.29 1.15 -3.61 0.58 0.00 -1.18 -3.41 119.26 115.07 2k0r h ALA 14 Ca 0.00 -0.07 -0.66 0.00 0.00 0.00 0.00 54.91 54.19 2k0r h ALA 14 Cb 0.58 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.04 2k0r h ALA 14 CO 0.00 0.09 -0.87 -0.06 0.00 0.00 0.00 179.25 178.41 2k0r s PHE 15 N -4.05 2.35 -0.75 0.00 0.08 -1.25 -0.05 117.98 114.32 2k0r s PHE 15 Ca -0.02 -0.85 0.01 0.00 0.12 0.00 0.00 56.93 56.19 2k0r s PHE 15 Cb 0.12 -1.57 0.18 0.00 -0.57 0.00 0.00 43.02 41.18 2k0r s PHE 15 CO 0.54 -0.32 0.57 0.08 -0.10 0.00 0.00 175.22 175.99 2k0r s VAL 16 N 0.18 3.53 0.30 -0.44 1.01 0.99 -4.91 120.40 121.07 2k0r s VAL 16 Ca -0.12 -3.85 -0.29 0.00 0.00 0.00 0.00 61.98 57.72 2k0r s VAL 16 Cb -0.16 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.85 2k0r s VAL 16 CO 0.06 -1.00 1.23 -2.16 0.00 0.00 0.00 175.10 173.24 2k0r s PRO 17 N -1.11 4.46 -0.07 2.72 0.04 -1.26 -1.62 135.00 138.17 2k0r s PRO 17 Ca 0.24 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 2k0r s PRO 17 Cb -0.10 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.35 2k0r s PRO 17 CO -0.11 -0.05 0.15 -2.00 0.04 0.00 0.00 177.00 175.02 2k0r s GLU 18 N -1.52 0.12 0.04 4.56 2.12 0.14 -4.91 118.70 119.24 2k0r s GLU 18 Ca 0.48 0.34 0.01 0.00 0.36 0.00 0.00 54.97 56.16 2k0r s GLU 18 Cb -0.37 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.87 2k0r s GLU 18 CO 0.47 -0.13 0.10 -1.17 -0.54 0.00 0.00 175.26 173.99 2k0r s LEU 19 N 0.93 3.93 -0.26 2.70 1.98 -1.05 -0.71 118.68 126.20 2k0r s LEU 19 Ca -0.07 0.10 -0.02 0.00 -2.89 0.00 0.00 54.13 51.26 2k0r s LEU 19 Cb -0.09 -2.45 0.13 0.00 0.66 0.00 0.00 46.19 44.44 2k0r s LEU 19 CO -0.05 0.22 0.30 0.00 -1.89 0.00 0.00 176.35 174.94 2k0r s ALA 20 N -1.31 -0.61 0.15 5.97 0.00 0.94 -3.29 121.76 123.61 2k0r s ALA 20 Ca 0.27 0.15 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 2k0r s ALA 20 Cb -0.12 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.26 2k0r s ALA 20 CO 0.19 -1.48 0.90 0.08 0.00 0.00 0.00 175.76 175.44 2k0r s VAL 21 N 2.41 4.37 0.35 0.00 1.01 0.64 -0.10 120.40 129.08 2k0r s VAL 21 Ca 0.09 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.04 2k0r s VAL 21 Cb -0.15 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.96 2k0r s VAL 21 CO -0.23 0.42 0.04 0.00 0.00 0.00 0.00 175.10 175.33 2k0r n ALA 22 N 2.16 0.37 0.21 5.51 0.00 0.10 -4.72 120.51 124.14 2k0r n ALA 22 Ca -0.01 -1.66 0.12 0.00 0.00 0.00 0.00 53.44 51.88 2k0r n ALA 22 Cb 0.48 0.98 0.03 0.00 0.00 0.00 0.00 19.45 20.95 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 -1.39 0.80 -0.46 0.00 2.03 -1.26 -3.92 116.55 112.35 2k0r n ASP 23 Ca -0.11 0.25 0.07 0.00 0.52 0.00 0.00 54.79 55.52 2k0r n ASP 23 Cb 0.48 0.44 0.16 0.00 -0.72 0.00 0.00 41.12 41.47 2k0r n ASP 23 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2k0r n ASP 24 N -2.53 2.92 0.00 1.67 5.75 -1.26 -5.04 116.55 118.06 2k0r n ASP 24 Ca 0.01 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.18 2k0r n ASP 24 Cb 0.52 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0r n GLY 25 N -0.51 0.26 3.27 6.12 0.00 -1.25 -3.07 105.19 110.00 2k0r n GLY 25 Ca 0.14 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.94 2.02 -0.09 1.61 1.01 -0.30 0.03 120.40 122.74 2k0r s VAL 26 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.96 2k0r s VAL 26 Cb 0.00 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2k0r s VAL 26 CO 0.00 0.56 -0.21 0.20 0.00 0.00 0.00 175.10 175.66 2k0r s ASN 27 N -0.23 3.41 -0.07 3.32 -0.87 0.86 0.47 114.94 121.82 2k0r s ASN 27 Ca -0.01 -0.45 0.03 0.00 -1.57 0.00 0.00 52.86 50.85 2k0r s ASN 27 Cb -0.13 -1.26 0.01 0.00 -0.02 0.00 0.00 41.25 39.85 2k0r s ASN 27 CO 0.03 0.20 -0.16 0.54 -2.57 0.00 0.00 177.10 175.13 2k0r s VAL 28 N 0.12 1.45 -0.06 1.60 0.11 -0.71 -0.04 120.40 122.87 2k0r s VAL 28 Ca -0.10 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.31 2k0r s VAL 28 Cb -0.16 -1.28 0.01 0.00 -1.53 0.00 0.00 36.38 33.42 2k0r s VAL 28 CO 0.06 0.42 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.52 2k0r s ARG 29 N 0.49 1.65 -0.12 1.54 3.00 0.12 -0.29 118.95 125.34 2k0r s ARG 29 Ca -0.15 -0.46 0.00 0.00 -1.00 0.00 0.00 55.73 54.13 2k0r s ARG 29 Cb -0.16 -1.39 0.02 0.00 0.00 0.00 0.00 34.95 33.42 2k0r s ARG 29 CO 0.05 0.10 -0.11 -0.59 0.00 0.00 0.00 175.30 174.75 2k0r s PHE 30 N 0.44 1.75 -0.36 5.12 -0.71 -0.09 0.25 117.98 124.38 2k0r s PHE 30 Ca -0.10 -0.88 -0.23 0.00 -1.04 0.00 0.00 56.93 54.67 2k0r s PHE 30 Cb -0.14 -1.35 0.01 0.00 -1.21 0.00 0.00 43.02 40.33 2k0r s PHE 30 CO 0.03 -0.53 0.78 1.03 -1.34 0.00 0.00 175.22 175.19 2k0r s ARG 31 N 1.43 3.77 0.04 1.99 0.52 -0.64 -3.13 118.95 122.93 2k0r s ARG 31 Ca 0.01 0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.48 2k0r s ARG 31 Cb -0.13 -3.80 -0.05 0.00 0.52 0.00 0.00 34.95 31.49 2k0r s ARG 31 CO -0.07 -0.83 0.30 0.42 0.02 0.00 0.00 175.30 175.15 2k0r s ILE 32 N 3.06 5.25 0.50 1.52 1.01 0.94 -0.01 121.20 133.47 2k0r s ILE 32 Ca 0.31 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.90 2k0r s ILE 32 Cb -0.13 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 2k0r s ILE 32 CO 0.16 0.29 1.28 0.00 0.00 0.00 0.00 174.94 176.68 2k0r s ALA 33 N -1.38 2.92 0.67 9.38 0.00 0.92 -4.18 121.76 130.09 2k0r s ALA 33 Ca 0.31 1.17 0.41 0.00 0.00 0.00 0.00 51.96 53.84 2k0r s ALA 33 Cb -0.13 -3.49 2.21 0.00 0.00 0.00 0.00 23.12 21.71 2k0r s ALA 33 CO 0.18 -1.05 2.25 0.22 0.00 0.00 0.00 175.76 177.37 2k0r h ASP 34 N 1.79 0.00 -0.09 0.00 1.82 -1.75 0.24 116.42 118.42 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2k0r h ASP 34 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 2k0r h ASP 34 CO 0.59 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.83 2k0r n GLY 35 N -1.12 0.11 3.27 -0.78 0.00 -1.26 -4.77 105.19 100.65 2k0r n GLY 35 Ca -0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.89 1.37 -0.22 1.61 2.02 0.84 -0.67 117.35 120.41 2k0r s TYR 36 Ca 0.35 -0.74 -0.13 0.00 -0.37 0.00 0.00 57.07 56.18 2k0r s TYR 36 Cb 0.19 -0.69 0.07 0.00 -0.40 0.00 0.00 41.96 41.12 2k0r s TYR 36 CO 0.30 0.12 0.53 1.52 -1.57 0.00 0.00 175.55 176.45 2k0r s TYR 37 N -3.27 -0.77 -0.07 2.71 1.13 0.29 -4.59 117.35 112.78 2k0r s TYR 37 Ca 0.19 1.62 0.00 0.00 -1.41 0.00 0.00 57.07 57.47 2k0r s TYR 37 Cb 0.02 0.39 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 2k0r s TYR 37 CO 0.02 -0.40 -0.06 -1.64 -2.51 0.00 0.00 175.55 170.96 2k0r s MET 38 N 1.29 2.81 -0.07 -3.49 -1.94 -1.03 -0.96 119.30 115.91 2k0r s MET 38 Ca -0.08 -0.53 -0.30 0.00 -1.71 0.00 0.00 55.69 53.07 2k0r s MET 38 Cb -0.06 -2.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2k0r s MET 38 CO -0.13 0.65 1.06 0.71 -0.01 0.00 0.00 175.02 177.30 2k0r s TYR 39 N -0.76 3.46 0.34 -0.03 2.02 -1.18 -0.92 117.35 120.28 2k0r s TYR 39 Ca 0.12 1.51 0.11 0.00 -0.37 0.00 0.00 57.07 58.43 2k0r s TYR 39 Cb -0.11 -3.25 0.89 0.00 -0.40 0.00 0.00 41.96 39.09 2k0r s TYR 39 CO 0.02 -0.50 1.78 0.37 -1.57 0.00 0.00 175.55 175.64 2k0r h GLN 40 N 7.11 0.59 -0.09 -0.62 4.15 -1.15 0.38 115.11 125.48 2k0r h GLN 40 Ca -0.34 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 58.91 2k0r h GLN 40 Cb 1.17 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 2k0r h GLN 40 CO 0.84 0.39 -0.54 0.00 -1.93 0.00 0.00 178.83 177.59 2k0r h ALA 41 N 1.65 0.91 0.01 3.38 0.00 -1.92 -3.12 119.26 120.16 2k0r h ALA 41 Ca 0.58 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 2k0r h ALA 41 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k0r h ALA 41 CO -0.35 0.69 -0.96 0.87 0.00 0.00 0.00 179.25 179.50 2k0r h LYS 42 N 0.21 0.39 -6.94 0.00 1.79 -0.75 -3.45 116.57 107.81 2k0r h LYS 42 Ca 0.00 -0.43 -0.52 0.00 -2.18 0.00 0.00 60.65 57.52 2k0r h LYS 42 Cb 1.02 0.13 0.08 0.00 -1.58 0.00 0.00 32.23 31.88 2k0r h LYS 42 CO 0.09 1.10 0.60 0.42 -1.08 0.00 0.00 179.45 180.58 2k0r s ILE 43 N -3.22 2.67 0.03 1.86 1.01 0.86 -4.57 121.20 119.83 2k0r s ILE 43 Ca -0.05 0.60 0.01 0.00 0.00 0.00 0.00 60.65 61.20 2k0r s ILE 43 Cb 0.09 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 2k0r s ILE 43 CO 0.87 0.09 -0.05 0.54 0.00 0.00 0.00 174.94 176.38 2k0r s VAL 44 N -1.27 0.33 -0.30 2.92 0.11 0.27 -4.94 120.40 117.52 2k0r s VAL 44 Ca 0.56 -1.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.49 2k0r s VAL 44 Cb -0.37 -0.46 0.18 0.00 -1.53 0.00 0.00 36.38 34.19 2k0r s VAL 44 CO 0.48 -0.45 0.95 -0.83 -3.33 0.00 0.00 175.10 171.92 2k0r s GLY 45 N -1.56 -0.44 -0.01 6.54 0.00 -1.25 -0.92 107.32 109.69 2k0r s GLY 45 Ca -0.12 2.65 0.00 0.00 0.00 0.00 0.00 44.72 47.25 2k0r s GLY 45 CO -0.00 3.60 0.01 1.25 0.00 0.00 0.00 173.10 177.96 2k0r s LYS 46 N 2.82 0.02 -0.05 2.90 2.36 -0.46 -4.75 119.74 122.58 2k0r s LYS 46 Ca 0.03 0.10 0.01 0.00 -2.55 0.00 0.00 55.97 53.56 2k0r s LYS 46 Cb -0.10 -0.18 0.02 0.00 -1.05 0.00 0.00 37.83 36.52 2k0r s LYS 46 CO -0.14 -0.09 -0.06 -0.08 1.55 0.00 0.00 175.35 176.52 2k0r s THR 47 N 0.62 0.68 0.00 3.43 -1.32 -1.26 -0.05 115.64 117.74 2k0r s THR 47 Ca -0.05 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 2k0r s THR 47 Cb -0.08 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 2k0r s THR 47 CO -0.02 0.26 0.00 -0.46 -2.21 0.00 0.00 174.62 172.19 2k0r n ASN 48 N 3.99 0.00 -0.12 8.08 6.94 0.27 -4.46 115.26 129.96 2k0r n ASN 48 Ca -0.24 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.19 2k0r n ASN 48 Cb 0.51 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.91 2k0r n ASN 48 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2k0r h PRO 49 N 0.00 0.94 -0.02 -0.53 0.13 -1.83 -1.93 132.00 128.76 2k0r h PRO 49 Ca 0.00 -0.49 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 2k0r h PRO 49 Cb 0.00 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 30.99 2k0r h PRO 49 CO 0.00 1.15 -0.40 0.00 -0.23 0.00 0.00 178.00 178.52 2k0r n ALA 50 N -2.54 0.41 -3.04 -0.56 0.00 -1.26 -4.75 120.51 108.77 2k0r n ALA 50 Ca -0.02 -1.39 -0.17 0.00 0.00 0.00 0.00 53.44 51.85 2k0r n ALA 50 Cb 0.54 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.19 -5.12 0.01 0.00 2.03 -1.26 -4.92 116.55 107.09 2k0r n ASP 51 Ca 0.01 -0.30 -0.14 0.00 0.52 0.00 0.00 54.79 54.88 2k0r n ASP 51 Cb 0.79 -3.86 -0.14 0.00 -0.72 0.00 0.00 41.12 37.18 2k0r n ASP 51 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k0r h LEU 52 N -1.48 0.21 -9.75 -2.67 -0.00 -1.90 -3.47 115.31 96.25 2k0r h LEU 52 Ca -0.41 -0.41 -0.57 0.00 -0.00 0.00 0.00 57.88 56.49 2k0r h LEU 52 Cb 1.28 -0.07 0.15 0.00 -0.00 0.00 0.00 40.66 42.02 2k0r h LEU 52 CO 0.42 1.36 0.11 -0.11 -0.00 0.00 0.00 178.44 180.23 2k0r n LEU 53 N -3.28 3.14 0.00 1.67 7.94 -1.26 -3.99 117.00 121.22 2k0r n LEU 53 Ca -0.21 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.58 2k0r n LEU 53 Cb 1.04 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2k0r n LEU 53 CO 0.46 -1.77 0.00 0.61 -1.11 0.00 0.00 177.39 175.57 2k0r n GLY 54 N 1.27 -0.85 3.07 -3.96 0.00 -1.10 -4.80 105.19 98.82 2k0r n GLY 54 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.55 0.63 1.61 -2.07 -1.26 -5.05 119.66 114.08 2k0r s GLN 55 Ca 0.00 -1.05 -0.16 0.00 -1.82 0.00 0.00 55.36 52.33 2k0r s GLN 55 Cb 0.00 0.13 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 2k0r s GLN 55 CO 0.00 -0.08 1.11 -1.25 -1.32 0.00 0.00 175.29 173.75 2k0r s PRO 56 N -3.18 2.92 -0.40 9.60 0.04 -1.26 -4.23 135.00 138.48 2k0r s PRO 56 Ca 0.01 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.50 2k0r s PRO 56 Cb 0.02 -1.96 0.13 0.00 0.04 0.00 0.00 34.50 32.73 2k0r s PRO 56 CO -0.07 -1.17 0.20 0.45 0.04 0.00 0.00 177.00 176.46 2k0r s SER 57 N -2.41 3.66 0.47 6.66 0.15 0.11 -4.94 113.70 117.41 2k0r s SER 57 Ca 0.68 -2.33 -0.23 0.00 0.70 0.00 0.00 55.95 54.77 2k0r s SER 57 Cb -0.21 -0.92 -0.07 0.00 -1.71 0.00 0.00 66.02 63.11 2k0r s SER 57 CO 0.38 -0.31 1.28 -0.36 1.20 0.00 0.00 173.24 175.44 2k0r s PHE 58 N 0.75 2.63 -1.40 3.44 0.08 -1.26 -0.13 117.98 122.09 2k0r s PHE 58 Ca 0.16 1.43 0.21 0.00 0.12 0.00 0.00 56.93 58.85 2k0r s PHE 58 Cb -0.23 -3.64 1.05 0.00 -0.57 0.00 0.00 43.02 39.64 2k0r s PHE 58 CO -0.05 -2.23 1.67 0.43 -0.10 0.00 0.00 175.22 174.93 2k0r n SER 59 N -0.49 0.00 -1.47 1.36 7.64 0.10 -4.90 113.62 115.86 2k0r n SER 59 Ca 0.07 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2k0r n SER 59 Cb 0.45 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2k0r n SER 59 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k0r n LYS 60 N -1.30 -3.80 0.00 1.43 3.00 -1.26 -4.99 118.16 111.24 2k0r n LYS 60 Ca 0.10 2.80 0.00 0.00 -0.00 0.00 0.00 58.31 61.20 2k0r n LYS 60 Cb 0.17 -2.94 0.00 0.00 0.00 0.00 0.00 35.03 32.26 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 0.87 1.11 3.02 3.14 0.00 -1.26 -5.05 105.19 107.02 2k0r n GLY 61 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2k0r n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0r s GLU 62 N 2.56 0.60 0.12 1.61 0.41 -0.56 -4.92 118.70 118.52 2k0r s GLU 62 Ca 0.00 -0.40 -0.30 0.00 -0.41 0.00 0.00 54.97 53.86 2k0r s GLU 62 Cb 0.00 -0.55 -0.06 0.00 -1.78 0.00 0.00 34.13 31.74 2k0r s GLU 62 CO 0.00 0.14 0.97 -1.83 -0.49 0.00 0.00 175.26 174.05 2k0r s GLU 63 N -0.53 4.69 0.00 1.61 -1.05 -1.26 -0.56 118.70 121.61 2k0r s GLU 63 Ca 0.00 1.47 -0.02 0.00 -0.15 0.00 0.00 54.97 56.27 2k0r s GLU 63 Cb -0.05 -3.37 -0.01 0.00 -0.44 0.00 0.00 34.13 30.27 2k0r s GLU 63 CO 0.00 0.21 0.04 0.21 0.95 0.00 0.00 175.26 176.66 2k0r s LYS 64 N -0.03 0.27 -0.11 -4.83 2.36 -0.10 -4.95 119.74 112.35 2k0r s LYS 64 Ca 0.47 -0.34 0.01 0.00 -2.55 0.00 0.00 55.97 53.56 2k0r s LYS 64 Cb -0.24 0.11 -0.02 0.00 -1.05 0.00 0.00 37.83 36.63 2k0r s LYS 64 CO 0.30 -0.05 -0.13 -1.21 1.55 0.00 0.00 175.35 175.81 2k0r s GLU 65 N -0.96 3.21 0.00 4.03 2.02 -1.25 -1.36 118.70 124.38 2k0r s GLU 65 Ca -0.11 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.20 2k0r s GLU 65 Cb -0.06 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.58 2k0r s GLU 65 CO -0.00 0.30 0.00 -3.47 0.02 0.00 0.00 175.26 172.11 2k0r n ASP 66 N 3.26 0.00 -0.09 -0.19 -0.08 0.06 -4.93 116.55 114.58 2k0r n ASP 66 Ca -0.18 -0.80 0.06 0.00 -1.51 0.00 0.00 54.79 52.36 2k0r n ASP 66 Cb 0.53 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.94 2k0r n ASP 66 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2k0r n GLU 67 N 0.00 2.79 0.00 -0.67 0.28 -1.26 -2.36 120.64 119.42 2k0r n GLU 67 Ca 0.00 -0.22 0.15 0.00 -0.16 0.00 0.00 57.16 56.94 2k0r n GLU 67 Cb 0.00 -1.08 0.76 0.00 1.43 0.00 0.00 31.44 32.56 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 -0.93 0.00 0.00 -1.84 3.01 -1.26 -4.58 117.46 111.85 2k0r n PHE 68 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2k0r n PHE 68 Cb 0.20 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 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 -0.55 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.13 2k0r n PHE 69 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.10 2k0r n PHE 69 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 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 -0.31 0.35 3.31 4.97 0.00 -1.00 -4.90 105.19 107.62 2k0r n GLY 70 Ca 0.00 -1.82 -0.45 0.00 0.00 0.00 0.00 46.02 43.75 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 2.88 0.25 1.61 1.04 -1.26 -0.76 118.95 122.71 2k0r s ARG 71 Ca 0.00 -1.64 -0.12 0.00 -1.04 0.00 0.00 55.73 52.93 2k0r s ARG 71 Cb 0.00 -4.18 -0.01 0.00 -2.04 0.00 0.00 34.95 28.73 2k0r s ARG 71 CO 0.00 -1.23 0.46 -1.14 -0.04 0.00 0.00 175.30 173.35 2k0r s GLN 72 N 1.56 1.54 0.24 3.89 2.00 -0.47 -4.93 119.66 123.48 2k0r s GLN 72 Ca 0.04 -1.28 -0.29 0.00 -2.00 0.00 0.00 55.36 51.83 2k0r s GLN 72 Cb -0.28 0.46 -0.09 0.00 0.80 0.00 0.00 33.01 33.90 2k0r s GLN 72 CO 0.03 -0.63 0.91 0.99 -0.50 0.00 0.00 175.29 176.09 2k0r s THR 73 N -4.01 4.14 0.30 -0.34 2.01 -1.26 -0.92 115.64 115.56 2k0r s THR 73 Ca 0.24 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.24 2k0r s THR 73 Cb -0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2k0r s THR 73 CO 0.09 0.46 0.30 0.68 -0.69 0.00 0.00 174.62 175.47 2k0r s VAL 74 N -1.22 0.00 -0.06 3.82 -7.23 0.28 -0.56 120.40 115.43 2k0r s VAL 74 Ca 0.41 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 2k0r s VAL 74 Cb -0.25 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2k0r s VAL 74 CO 0.30 0.00 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.54 2k0r s TYR 75 N -3.54 2.47 -2.21 2.82 2.02 -0.10 -1.49 117.35 117.32 2k0r s TYR 75 Ca 0.37 -0.68 0.19 0.00 -0.37 0.00 0.00 57.07 56.57 2k0r s TYR 75 Cb 0.03 -1.61 0.12 0.00 -0.40 0.00 0.00 41.96 40.09 2k0r s TYR 75 CO 0.21 -0.19 1.06 -2.39 -1.57 0.00 0.00 175.55 172.67 2k0r n HIS 76 N 2.92 0.00 0.01 2.71 1.44 -1.26 -2.48 115.22 118.56 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 0.82 -1.78 -2.97 -1.40 -0.00 -1.26 -4.20 115.22 104.44 2k0r n HIS 77 Ca 0.10 0.07 -0.40 0.00 -0.00 0.00 0.00 57.72 57.49 2k0r n HIS 77 Cb 0.45 0.49 -0.05 0.00 -0.00 0.00 0.00 29.99 30.88 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 4.53 -0.38 1.57 1.03 -1.26 -0.04 118.70 122.14 2k0r s GLU 78 Ca 0.00 1.11 0.07 0.00 0.03 0.00 0.00 54.97 56.18 2k0r s GLU 78 Cb 0.00 -3.34 0.18 0.00 -0.80 0.00 0.00 34.13 30.17 2k0r s GLU 78 CO 0.00 0.35 0.59 0.00 -1.33 0.00 0.00 175.26 174.88 2k0r s ALA 79 N -0.33 -2.16 -0.05 -0.84 0.00 -1.18 -4.72 121.76 112.48 2k0r s ALA 79 Ca 0.38 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.64 2k0r s ALA 79 Cb -0.21 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 2k0r s ALA 79 CO 0.24 -2.14 -0.25 -1.14 0.00 0.00 0.00 175.76 172.47 2k0r s GLN 80 N 1.98 2.39 -0.08 0.00 0.74 -1.26 -0.91 119.66 122.51 2k0r s GLN 80 Ca 0.15 -0.90 0.03 0.00 0.05 0.00 0.00 55.36 54.69 2k0r s GLN 80 Cb -0.06 -2.10 0.01 0.00 1.10 0.00 0.00 33.01 31.96 2k0r s GLN 80 CO -0.10 0.43 -0.16 0.08 -0.55 0.00 0.00 175.29 174.98 2k0r s VAL 81 N -0.29 1.46 -0.07 1.34 1.01 0.60 0.01 120.40 124.46 2k0r s VAL 81 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 2k0r s VAL 81 Cb -0.13 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2k0r s VAL 81 CO 0.02 0.43 0.33 0.00 0.00 0.00 0.00 175.10 175.88 2k0r s ALA 82 N 0.61 3.68 -0.64 5.51 0.00 0.82 -1.74 121.76 130.01 2k0r s ALA 82 Ca -0.15 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2k0r s ALA 82 Cb -0.16 -2.33 0.15 0.00 0.00 0.00 0.00 23.12 20.78 2k0r s ALA 82 CO 0.05 0.36 0.41 -0.06 0.00 0.00 0.00 175.76 176.52 2k0r s PHE 83 N -0.52 3.44 0.12 0.00 0.08 0.18 0.08 117.98 121.35 2k0r s PHE 83 Ca 0.20 -3.29 -0.31 0.00 0.12 0.00 0.00 56.93 53.66 2k0r s PHE 83 Cb -0.15 -2.75 -0.08 0.00 -0.57 0.00 0.00 43.02 39.47 2k0r s PHE 83 CO 0.09 -0.62 1.36 -1.25 -0.10 0.00 0.00 175.22 174.70 2k0r s PRO 84 N -1.04 4.34 0.83 0.24 0.04 -1.26 -1.15 135.00 137.00 2k0r s PRO 84 Ca 0.22 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 2k0r s PRO 84 Cb -0.12 -3.25 0.10 0.00 0.04 0.00 0.00 34.50 31.26 2k0r s PRO 84 CO -0.11 -0.40 1.14 0.71 0.04 0.00 0.00 177.00 178.38 2k0r s TYR 85 N 1.00 2.01 0.00 0.56 2.02 -1.18 -2.70 117.35 119.07 2k0r s TYR 85 Ca 0.63 1.68 0.00 0.00 -0.37 0.00 0.00 57.07 59.01 2k0r s TYR 85 Cb -0.36 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 37.93 2k0r s TYR 85 CO 0.31 -2.43 0.11 0.00 -1.57 0.00 0.00 175.55 171.97 2k0r n ALA 86 N -3.69 1.99 -3.33 3.71 0.00 -1.26 -4.50 120.51 113.43 2k0r n ALA 86 Ca 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2k0r n ALA 86 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 2k0r n ALA 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k0r s LYS 87 N -0.72 1.52 -0.24 0.00 0.00 -1.26 -4.95 119.74 114.08 2k0r s LYS 87 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 55.97 54.77 2k0r s LYS 87 Cb 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 37.83 38.30 2k0r s LYS 87 CO 0.00 -0.65 0.31 0.00 0.00 0.00 0.00 175.35 175.02 2k0r s ALA 88 N -3.95 3.57 -0.14 0.59 0.00 -1.26 -5.05 121.76 115.52 2k0r s ALA 88 Ca 0.15 -0.78 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 2k0r s ALA 88 Cb -0.02 -2.58 0.04 0.00 0.00 0.00 0.00 23.12 20.56 2k0r s ALA 88 CO 0.04 -0.44 0.38 0.14 0.00 0.00 0.00 175.76 175.88 2k0r s VAL 89 N 1.59 0.00 -0.25 0.00 -7.23 -1.26 -5.04 120.40 108.22 2k0r s VAL 89 Ca 0.14 -0.02 0.13 0.00 -1.81 0.00 0.00 61.98 60.41 2k0r s VAL 89 Cb -0.15 -0.54 0.62 0.00 0.56 0.00 0.00 36.38 36.87 2k0r s VAL 89 CO 0.08 -0.01 1.58 0.61 -0.31 0.00 0.00 175.10 177.05 2k0r n GLY 90 N 2.78 3.99 3.72 2.32 0.00 -1.26 -4.99 105.19 111.76 2k0r n GLY 90 Ca -0.14 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.96 2.48 0.60 1.61 2.02 -1.26 -5.12 118.70 116.08 2k0r s GLU 91 Ca 0.48 -1.37 -0.17 0.00 0.02 0.00 0.00 54.97 53.93 2k0r s GLU 91 Cb 0.39 -2.27 -0.03 0.00 0.10 0.00 0.00 34.13 32.32 2k0r s GLU 91 CO 0.09 0.28 1.12 -1.25 0.02 0.00 0.00 175.26 175.52 2k0r s PRO 92 N -3.78 3.07 0.24 0.39 0.04 -1.26 -4.96 135.00 128.73 2k0r s PRO 92 Ca 0.34 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.90 2k0r s PRO 92 Cb -0.05 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2k0r s PRO 92 CO 0.22 -1.06 0.03 1.52 0.04 0.00 0.00 177.00 177.76 2k0r s TYR 93 N -2.07 1.53 0.04 0.56 1.13 -0.69 -4.57 117.35 113.29 2k0r s TYR 93 Ca 0.70 -1.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.37 2k0r s TYR 93 Cb -0.22 -0.90 -0.04 0.00 -1.10 0.00 0.00 41.96 39.70 2k0r s TYR 93 CO 0.34 -0.16 -0.02 0.21 -2.51 0.00 0.00 175.55 173.42 2k0r s LYS 94 N -3.93 2.59 -0.05 -3.49 2.36 -0.73 -1.55 119.74 114.94 2k0r s LYS 94 Ca 0.31 -0.76 0.04 0.00 -2.55 0.00 0.00 55.97 53.02 2k0r s LYS 94 Cb 0.07 -2.55 -0.00 0.00 -1.05 0.00 0.00 37.83 34.29 2k0r s LYS 94 CO 0.10 0.58 -0.18 -1.17 1.55 0.00 0.00 175.35 176.22 2k0r s LEU 95 N -1.88 1.92 -0.17 5.43 2.96 0.05 -0.57 118.68 126.43 2k0r s LEU 95 Ca 0.22 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2k0r s LEU 95 Cb -0.11 -1.05 0.03 0.00 0.50 0.00 0.00 46.19 45.56 2k0r s LEU 95 CO 0.13 0.15 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.50 2k0r s VAL 96 N 0.10 1.60 -0.04 1.68 1.01 0.93 0.11 120.40 125.80 2k0r s VAL 96 Ca -0.06 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.22 2k0r s VAL 96 Cb -0.13 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2k0r s VAL 96 CO 0.03 0.35 -0.25 -0.76 0.00 0.00 0.00 175.10 174.48 2k0r s LEU 97 N 1.45 2.05 -0.07 3.92 1.43 0.11 -1.35 118.68 126.22 2k0r s LEU 97 Ca 0.03 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2k0r s LEU 97 Cb -0.14 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.80 2k0r s LEU 97 CO -0.10 0.27 -0.04 -0.89 0.23 0.00 0.00 176.35 175.82 2k0r s THR 98 N -0.37 0.61 -0.08 5.49 2.01 -0.10 0.02 115.64 123.22 2k0r s THR 98 Ca 0.03 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2k0r s THR 98 Cb -0.11 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 2k0r s THR 98 CO 0.01 0.27 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.78 2k0r s TYR 99 N 1.43 2.77 -0.23 4.92 2.02 -0.20 -0.56 117.35 127.50 2k0r s TYR 99 Ca -0.02 -0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.30 2k0r s TYR 99 Cb -0.13 -1.71 0.09 0.00 -0.40 0.00 0.00 41.96 39.81 2k0r s TYR 99 CO -0.03 0.09 0.51 -1.14 -1.57 0.00 0.00 175.55 173.41 2k0r s GLN 100 N -0.41 0.46 0.00 -0.62 -0.44 -1.26 -0.34 119.66 117.05 2k0r s GLN 100 Ca 0.05 1.10 0.00 0.00 -2.50 0.00 0.00 55.36 54.00 2k0r s GLN 100 Cb -0.12 0.32 0.00 0.00 -1.64 0.00 0.00 33.01 31.57 2k0r s GLN 100 CO 0.02 -0.20 0.00 0.41 0.50 0.00 0.00 175.29 176.02 2k0r n GLY 101 N 4.92 2.94 3.32 2.59 0.00 -1.26 -3.10 105.19 114.60 2k0r n GLY 101 Ca -0.15 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 2k0r n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k0r s SER 102 N 2.00 0.35 -0.08 1.61 0.01 -0.14 -3.88 113.70 113.57 2k0r s SER 102 Ca 0.00 -1.34 -0.13 0.00 1.31 0.00 0.00 55.95 55.79 2k0r s SER 102 Cb 0.00 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.65 2k0r s SER 102 CO 0.00 -0.97 0.31 0.00 0.41 0.00 0.00 173.24 172.98 2k0r s ALA 103 N -3.94 3.70 0.62 1.44 0.00 0.82 -0.54 121.76 123.85 2k0r s ALA 103 Ca 0.35 -0.39 0.32 0.00 0.00 0.00 0.00 51.96 52.23 2k0r s ALA 103 Cb 0.04 -2.30 1.75 0.00 0.00 0.00 0.00 23.12 22.62 2k0r s ALA 103 CO 0.14 0.37 2.07 0.93 0.00 0.00 0.00 175.76 179.27 2k0r h GLU 104 N 5.47 0.00 0.00 0.00 5.08 -1.20 0.21 114.58 124.14 2k0r h GLU 104 Ca -0.49 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.75 2k0r h GLU 104 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2k0r h GLU 104 CO 0.66 0.00 -0.58 0.00 -1.00 0.00 0.00 179.01 178.09 2k0r h ALA 105 N 1.64 0.96 0.00 3.43 0.00 -1.93 -3.47 119.26 119.88 2k0r h ALA 105 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k0r h ALA 105 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k0r h ALA 105 CO -0.00 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2k0r n GLY 106 N 0.30 0.90 3.17 0.00 0.00 0.72 -5.16 105.19 105.12 2k0r n GLY 106 Ca -0.01 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 -0.49 1.31 -0.21 1.61 1.01 -1.17 -4.95 120.40 117.52 2k0r s VAL 107 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2k0r s VAL 107 Cb 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.29 2k0r s VAL 107 CO 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 175.10 175.18 2k0r s TYR 109 N 1.25 2.85 0.81 0.00 1.13 -1.25 -5.06 117.35 117.08 2k0r s TYR 109 Ca -0.01 -0.17 -0.11 0.00 -1.41 0.00 0.00 57.07 55.36 2k0r s TYR 109 Cb -0.16 -1.28 0.08 0.00 -1.10 0.00 0.00 41.96 39.49 2k0r s TYR 109 CO -0.09 0.58 1.09 -1.25 -2.51 0.00 0.00 175.55 173.37 2k0r s PRO 110 N -3.66 1.99 0.58 -3.49 0.04 -1.26 -4.61 135.00 124.59 2k0r s PRO 110 Ca 0.32 1.08 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 2k0r s PRO 110 Cb -0.07 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2k0r s PRO 110 CO 0.21 -1.81 1.12 -1.25 0.04 0.00 0.00 177.00 175.32 2k0r s PRO 111 N -4.91 3.16 -0.20 0.56 0.04 -1.26 -4.83 135.00 127.55 2k0r s PRO 111 Ca 0.62 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2k0r s PRO 111 Cb -0.17 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.42 2k0r s PRO 111 CO 0.56 -0.99 -0.09 0.08 0.04 0.00 0.00 177.00 176.61 2k0r s VAL 112 N -1.98 1.54 -0.13 -0.36 1.01 0.54 -4.98 120.40 116.04 2k0r s VAL 112 Ca 0.71 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 2k0r s VAL 112 Cb -0.23 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2k0r s VAL 112 CO 0.32 0.12 0.13 1.51 0.00 0.00 0.00 175.10 177.18 2k0r s ASP 113 N 1.43 6.29 -0.08 3.32 -4.77 -1.26 -1.03 116.67 120.57 2k0r s ASP 113 Ca -0.02 0.41 -0.04 0.00 -3.30 0.00 0.00 52.55 49.61 2k0r s ASP 113 Cb -0.16 -2.04 0.04 0.00 -1.09 0.00 0.00 42.92 39.67 2k0r s ASP 113 CO -0.08 0.37 0.19 -0.89 0.70 0.00 0.00 175.17 175.46 2k0r s THR 114 N -0.82 -0.05 -0.09 2.11 2.01 0.10 -5.00 115.64 113.90 2k0r s THR 114 Ca 0.14 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.28 2k0r s THR 114 Cb -0.12 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2k0r s THR 114 CO 0.03 0.07 0.04 -1.61 -0.69 0.00 0.00 174.62 172.46 2k0r s GLU 115 N 1.25 3.09 -0.11 4.92 8.01 -1.26 -0.71 118.70 133.89 2k0r s GLU 115 Ca -0.09 -0.34 0.02 0.00 0.01 0.00 0.00 54.97 54.57 2k0r s GLU 115 Cb -0.11 -2.89 0.01 0.00 -4.31 0.00 0.00 34.13 26.83 2k0r s GLU 115 CO -0.07 0.72 -0.16 -0.06 0.01 0.00 0.00 175.26 175.71 2k0r s PHE 116 N -0.92 2.01 -0.29 1.61 0.08 0.12 -4.96 117.98 115.62 2k0r s PHE 116 Ca 0.14 -0.95 -0.22 0.00 0.12 0.00 0.00 56.93 56.01 2k0r s PHE 116 Cb -0.11 -1.45 -0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2k0r s PHE 116 CO 0.03 -0.49 0.73 -0.51 -0.10 0.00 0.00 175.22 174.88 2k0r s ASP 117 N 0.99 6.63 -0.21 1.36 1.11 -1.26 -0.77 116.67 124.52 2k0r s ASP 117 Ca -0.06 0.66 -0.08 0.00 0.18 0.00 0.00 52.55 53.24 2k0r s ASP 117 Cb -0.15 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 2k0r s ASP 117 CO -0.02 -0.54 0.10 -0.63 1.18 0.00 0.00 175.17 175.26 2k0r s ILE 118 N 2.80 4.95 0.00 0.77 -1.09 -0.60 -4.93 121.20 123.11 2k0r s ILE 118 Ca 0.30 0.03 0.07 0.00 -2.23 0.00 0.00 60.65 58.83 2k0r s ILE 118 Cb -0.15 -3.27 0.12 0.00 -1.58 0.00 0.00 42.46 37.59 2k0r s ILE 118 CO 0.11 0.41 1.05 2.22 -1.23 0.00 0.00 174.94 177.50 2k0r n PHE 119 N 3.89 0.00 -0.33 3.97 1.16 -1.26 -1.70 117.46 123.18 2k0r n PHE 119 Ca -0.16 -0.50 0.00 0.00 -1.87 0.00 0.00 57.45 54.92 2k0r n PHE 119 Cb 0.52 0.31 0.00 0.00 -1.61 0.00 0.00 39.48 38.70 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 0.14 -0.39 0.00 4.97 0.00 -1.26 -4.98 105.19 103.67 2k0r n GLY 120 Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 5.15 -1.26 -5.07 115.26 115.69 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k0r n GLY 122 N 0.00 1.92 3.79 8.20 0.00 -1.26 -4.96 105.19 112.88 2k0r n GLY 122 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 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 5.21 0.02 2.61 2.01 -1.26 -0.26 115.64 123.97 2k0r s THR 123 Ca 0.00 0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.67 2k0r s THR 123 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2k0r s THR 123 CO 0.00 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.07 2k0r s TYR 124 N -0.36 0.33 0.03 4.92 1.51 -1.21 -4.98 117.35 117.60 2k0r s TYR 124 Ca 0.20 -0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 55.70 2k0r s TYR 124 Cb -0.15 -0.22 0.01 0.00 -0.11 0.00 0.00 41.96 41.49 2k0r s TYR 124 CO 0.08 -0.14 0.20 -1.01 -1.11 0.00 0.00 175.55 173.57 2k0r s HIS 125 N -1.27 0.02 0.43 2.71 3.76 -1.26 -2.53 115.29 117.15 2k0r s HIS 125 Ca -0.13 -0.19 -0.24 0.00 -0.15 0.00 0.00 55.06 54.35 2k0r s HIS 125 Cb -0.09 -0.01 -0.08 0.00 1.11 0.00 0.00 32.58 33.51 2k0r s HIS 125 CO -0.01 -0.41 1.18 -1.25 -0.85 0.00 0.00 174.74 173.40 2k0r s PRO 126 N -2.29 3.89 -0.62 8.40 0.04 -1.26 -4.97 135.00 138.19 2k0r s PRO 126 Ca -0.07 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2k0r s PRO 126 Cb -0.02 -2.54 0.39 0.00 0.04 0.00 0.00 34.50 32.36 2k0r s PRO 126 CO -0.02 -0.45 1.52 1.04 0.04 0.00 0.00 177.00 179.12 2k0r n GLN 127 N -0.21 3.13 0.00 4.56 6.02 -1.26 -5.21 117.38 124.40 2k0r n GLN 127 Ca 0.06 -4.07 0.06 0.00 -0.01 0.00 0.00 57.00 53.03 2k0r n GLN 127 Cb 0.47 -2.26 0.36 0.00 1.02 0.00 0.00 30.24 29.83 2k0r n GLN 127 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30