#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r n ALA 2 N 0.00 -0.07 0.00 3.04 0.00 -1.26 -4.86 120.51 117.36 2k0r n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k0r n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k0r n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k0r n LEU 3 N -1.16 2.17 -1.44 0.00 4.32 -1.26 -5.02 117.00 114.61 2k0r n LEU 3 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.81 2k0r n LEU 3 Cb 0.00 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 2k0r n LEU 3 CO 0.00 0.36 -0.18 -0.67 -1.22 0.00 0.00 177.39 175.68 2k0r n ASP 4 N -2.31 -5.16 -2.91 -1.43 2.03 -1.26 -4.88 116.55 100.63 2k0r n ASP 4 Ca 0.00 0.39 0.01 0.00 0.52 0.00 0.00 54.79 55.72 2k0r n ASP 4 Cb 0.47 -4.23 0.01 0.00 -0.72 0.00 0.00 41.12 36.65 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0r n ALA 5 N 0.98 -2.42 -1.38 -1.67 0.00 -1.26 -4.50 120.51 110.26 2k0r n ALA 5 Ca -0.18 -0.57 0.18 0.00 0.00 0.00 0.00 53.44 52.87 2k0r n ALA 5 Cb 0.59 0.13 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 2k0r n ALA 5 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k0r n ASN 6 N -0.82 -8.13 -1.31 0.00 5.03 -1.26 -4.10 115.26 104.67 2k0r n ASN 6 Ca 0.03 0.66 0.04 0.00 0.87 0.00 0.00 54.58 56.18 2k0r n ASN 6 Cb 0.40 -4.26 0.24 0.00 -1.02 0.00 0.00 39.78 35.14 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2k0r n ASP 7 N -4.32 3.79 0.19 6.41 5.75 -1.26 -4.10 116.55 123.01 2k0r n ASP 7 Ca -0.00 -2.53 0.13 0.00 -0.01 0.00 0.00 54.79 52.39 2k0r n ASP 7 Cb 0.66 -0.59 0.40 0.00 -1.03 0.00 0.00 41.12 40.56 2k0r n ASP 7 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2k0r h LEU 8 N 2.46 0.00 -9.79 -2.12 3.38 -1.97 -3.45 115.31 103.83 2k0r h LEU 8 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2k0r h LEU 8 Cb 1.35 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 2k0r h LEU 8 CO 0.28 0.00 -0.57 -1.48 0.09 0.00 0.00 178.44 176.76 2k0r s LEU 9 N -5.50 3.62 0.86 1.67 0.05 -1.26 -5.06 118.68 113.07 2k0r s LEU 9 Ca 0.06 -0.36 -0.11 0.00 0.05 0.00 0.00 54.13 53.77 2k0r s LEU 9 Cb 0.08 -2.16 0.11 0.00 -2.05 0.00 0.00 46.19 42.18 2k0r s LEU 9 CO 0.58 -0.02 1.09 -2.16 -0.55 0.00 0.00 176.35 175.29 2k0r s PRO 10 N -3.74 1.53 0.46 1.48 0.04 -1.26 -4.81 135.00 128.70 2k0r s PRO 10 Ca 0.32 0.92 0.31 0.00 0.04 0.00 0.00 61.00 62.59 2k0r s PRO 10 Cb -0.08 -1.83 1.28 0.00 0.04 0.00 0.00 34.50 33.91 2k0r s PRO 10 CO 0.23 -2.08 1.91 -1.00 0.04 0.00 0.00 177.00 176.10 2k0r h PRO 11 N -1.44 0.00 -0.06 0.56 0.13 -1.97 0.30 132.00 129.52 2k0r h PRO 11 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 2k0r h PRO 11 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k0r h PRO 11 CO 0.54 0.00 -0.85 1.05 -0.23 0.00 0.00 178.00 178.50 2k0r h GLU 12 N 0.00 0.52 0.00 0.86 -0.00 -1.92 -3.26 114.58 110.79 2k0r h GLU 12 Ca 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2k0r h GLU 12 Cb 0.45 0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.32 2k0r h GLU 12 CO 0.00 1.12 -1.30 1.17 -0.00 0.00 0.00 179.01 180.00 2k0r n LYS 13 N -3.83 0.31 0.24 1.06 0.00 -1.11 -4.16 118.16 110.68 2k0r n LYS 13 Ca -0.07 -0.06 0.10 0.00 0.00 0.00 0.00 58.31 58.29 2k0r n LYS 13 Cb 0.78 -1.55 0.58 0.00 0.00 0.00 0.00 35.03 34.84 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 2.51 1.22 -3.55 3.14 0.00 -0.98 -3.42 119.26 118.18 2k0r h ALA 14 Ca 0.00 -0.18 -0.68 0.00 0.00 0.00 0.00 54.91 54.05 2k0r h ALA 14 Cb 0.74 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.21 2k0r h ALA 14 CO 0.00 0.25 -0.83 -0.06 0.00 0.00 0.00 179.25 178.61 2k0r s PHE 15 N -4.03 2.63 -0.69 0.00 0.08 -1.24 0.03 117.98 114.77 2k0r s PHE 15 Ca -0.02 -0.75 0.05 0.00 0.12 0.00 0.00 56.93 56.33 2k0r s PHE 15 Cb 0.12 -1.72 0.17 0.00 -0.57 0.00 0.00 43.02 41.02 2k0r s PHE 15 CO 0.63 -0.24 0.47 0.08 -0.10 0.00 0.00 175.22 176.06 2k0r s VAL 16 N 0.13 2.83 0.29 -0.44 1.01 0.88 -4.90 120.40 120.20 2k0r s VAL 16 Ca -0.10 -4.19 -0.29 0.00 0.00 0.00 0.00 61.98 57.40 2k0r s VAL 16 Cb -0.16 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 2k0r s VAL 16 CO 0.06 -0.99 1.24 -2.16 0.00 0.00 0.00 175.10 173.25 2k0r s PRO 17 N -1.35 4.45 -0.07 2.72 0.04 -1.26 -1.58 135.00 137.95 2k0r s PRO 17 Ca 0.24 2.06 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 2k0r s PRO 17 Cb -0.06 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.39 2k0r s PRO 17 CO -0.15 -0.08 0.15 -2.00 0.04 0.00 0.00 177.00 174.96 2k0r s GLU 18 N -1.35 0.08 0.06 4.56 2.12 0.12 -4.86 118.70 119.44 2k0r s GLU 18 Ca 0.49 0.40 0.02 0.00 0.36 0.00 0.00 54.97 56.24 2k0r s GLU 18 Cb -0.37 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 33.79 2k0r s GLU 18 CO 0.46 -0.18 0.10 -1.17 -0.54 0.00 0.00 175.26 173.93 2k0r s LEU 19 N 1.32 3.91 -0.26 2.70 2.96 -1.04 -0.01 118.68 128.27 2k0r s LEU 19 Ca -0.08 0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 2k0r s LEU 19 Cb -0.12 -2.52 0.12 0.00 0.50 0.00 0.00 46.19 44.17 2k0r s LEU 19 CO -0.06 0.19 0.29 0.00 -1.32 0.00 0.00 176.35 175.45 2k0r s ALA 20 N -1.37 -0.52 0.26 5.97 0.00 0.95 -3.01 121.76 124.05 2k0r s ALA 20 Ca 0.29 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 2k0r s ALA 20 Cb -0.12 -1.66 -0.10 0.00 0.00 0.00 0.00 23.12 21.24 2k0r s ALA 20 CO 0.21 -1.51 1.29 0.08 0.00 0.00 0.00 175.76 175.83 2k0r s VAL 21 N 2.38 3.01 0.36 0.00 1.01 -0.24 -1.42 120.40 125.50 2k0r s VAL 21 Ca 0.09 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.01 2k0r s VAL 21 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2k0r s VAL 21 CO -0.25 0.18 0.06 0.00 0.00 0.00 0.00 175.10 175.10 2k0r n ALA 22 N 1.73 0.41 0.36 5.51 0.00 0.82 -4.82 120.51 124.52 2k0r n ALA 22 Ca 0.03 -1.72 0.12 0.00 0.00 0.00 0.00 53.44 51.87 2k0r n ALA 22 Cb 0.42 1.06 0.06 0.00 0.00 0.00 0.00 19.45 20.99 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 -1.46 0.73 -0.39 0.00 -0.08 -1.26 -3.91 116.55 110.17 2k0r n ASP 23 Ca -0.10 0.14 0.04 0.00 -1.51 0.00 0.00 54.79 53.36 2k0r n ASP 23 Cb 0.50 0.45 0.11 0.00 2.34 0.00 0.00 41.12 44.52 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 -2.32 2.65 0.00 1.67 8.00 -1.26 -5.04 116.55 120.25 2k0r n ASP 24 Ca 0.01 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.32 2k0r n ASP 24 Cb 0.49 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.11 0.49 3.37 0.44 0.00 -1.25 -3.25 105.19 104.88 2k0r n GLY 25 Ca 0.09 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.36 2.55 -0.14 1.61 1.01 -0.54 -0.13 120.40 122.41 2k0r s VAL 26 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2k0r s VAL 26 Cb 0.00 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.42 2k0r s VAL 26 CO 0.00 0.58 -0.20 0.20 0.00 0.00 0.00 175.10 175.68 2k0r s ASN 27 N -0.46 3.31 -0.10 3.32 -0.87 -0.51 0.18 114.94 119.81 2k0r s ASN 27 Ca 0.05 -0.55 0.03 0.00 -1.57 0.00 0.00 52.86 50.82 2k0r s ASN 27 Cb -0.12 -1.49 0.01 0.00 -0.02 0.00 0.00 41.25 39.63 2k0r s ASN 27 CO 0.01 0.09 -0.21 0.54 -2.57 0.00 0.00 177.10 174.96 2k0r s VAL 28 N 0.79 1.83 -0.09 1.60 0.11 -0.65 -0.03 120.40 123.97 2k0r s VAL 28 Ca -0.07 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 2k0r s VAL 28 Cb -0.16 -1.61 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 2k0r s VAL 28 CO -0.01 0.51 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.55 2k0r s ARG 29 N 0.55 1.82 -0.18 1.54 3.00 0.99 -0.08 118.95 126.58 2k0r s ARG 29 Ca -0.15 -0.42 0.00 0.00 -1.00 0.00 0.00 55.73 54.16 2k0r s ARG 29 Cb -0.17 -1.59 0.01 0.00 0.00 0.00 0.00 34.95 33.21 2k0r s ARG 29 CO 0.05 -0.06 -0.18 -0.59 0.00 0.00 0.00 175.30 174.52 2k0r s PHE 30 N 0.99 2.80 -0.37 5.12 -0.71 -0.33 0.14 117.98 125.63 2k0r s PHE 30 Ca -0.08 -1.50 -0.24 0.00 -1.04 0.00 0.00 56.93 54.07 2k0r s PHE 30 Cb -0.15 -1.94 0.01 0.00 -1.21 0.00 0.00 43.02 39.73 2k0r s PHE 30 CO -0.01 -0.75 0.83 1.03 -1.34 0.00 0.00 175.22 174.99 2k0r s ARG 31 N 1.27 3.78 0.07 1.99 0.52 -0.61 -3.05 118.95 122.92 2k0r s ARG 31 Ca 0.04 0.39 -0.05 0.00 -0.52 0.00 0.00 55.73 55.59 2k0r s ARG 31 Cb -0.13 -3.81 -0.05 0.00 0.52 0.00 0.00 34.95 31.48 2k0r s ARG 31 CO -0.10 -0.88 0.30 0.42 0.02 0.00 0.00 175.30 175.06 2k0r s ILE 32 N 3.21 5.26 0.56 1.52 1.01 0.84 -0.08 121.20 133.53 2k0r s ILE 32 Ca 0.33 0.02 -0.20 0.00 0.00 0.00 0.00 60.65 60.80 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 0.17 0.20 1.26 0.00 0.00 0.00 0.00 174.94 176.57 2k0r s ALA 33 N -1.48 2.68 0.28 9.38 0.00 0.10 -3.92 121.76 128.81 2k0r s ALA 33 Ca 0.34 1.13 0.35 0.00 0.00 0.00 0.00 51.96 53.78 2k0r s ALA 33 Cb -0.13 -3.49 1.88 0.00 0.00 0.00 0.00 23.12 21.38 2k0r s ALA 33 CO 0.22 -1.20 2.07 0.22 0.00 0.00 0.00 175.76 177.07 2k0r h ASP 34 N 1.21 0.00 -0.30 0.00 1.82 -1.79 0.57 116.42 117.92 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 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.80 2k0r n GLY 35 N -1.06 0.93 3.29 -0.78 0.00 -1.26 -4.65 105.19 101.66 2k0r n GLY 35 Ca -0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.61 1.42 -0.20 1.61 2.02 0.19 -0.78 117.35 120.00 2k0r s TYR 36 Ca 0.34 -0.83 -0.15 0.00 -0.37 0.00 0.00 57.07 56.06 2k0r s TYR 36 Cb 0.19 -0.78 0.06 0.00 -0.40 0.00 0.00 41.96 41.03 2k0r s TYR 36 CO 0.27 0.03 0.51 1.52 -1.57 0.00 0.00 175.55 176.31 2k0r s TYR 37 N -3.36 -0.66 -0.01 2.71 -0.85 0.32 -4.51 117.35 110.98 2k0r s TYR 37 Ca 0.23 1.48 0.04 0.00 -0.52 0.00 0.00 57.07 58.30 2k0r s TYR 37 Cb 0.04 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 2k0r s TYR 37 CO 0.05 -0.34 -0.13 -1.64 -1.52 0.00 0.00 175.55 171.96 2k0r s MET 38 N 0.86 2.40 -0.26 -3.49 -1.94 -1.07 -0.64 119.30 115.15 2k0r s MET 38 Ca -0.05 -0.78 -0.27 0.00 -1.71 0.00 0.00 55.69 52.88 2k0r s MET 38 Cb -0.05 -2.36 0.01 0.00 2.01 0.00 0.00 34.83 34.44 2k0r s MET 38 CO -0.07 0.60 0.98 0.71 -0.01 0.00 0.00 175.02 177.22 2k0r s TYR 39 N -0.85 3.28 0.38 -0.03 2.02 -1.17 -1.41 117.35 119.57 2k0r s TYR 39 Ca 0.14 1.28 0.15 0.00 -0.37 0.00 0.00 57.07 58.27 2k0r s TYR 39 Cb -0.11 -3.29 1.02 0.00 -0.40 0.00 0.00 41.96 39.17 2k0r s TYR 39 CO 0.04 -0.52 1.79 1.96 -1.57 0.00 0.00 175.55 177.24 2k0r h GLN 40 N 7.68 0.47 -0.28 -0.62 1.08 -0.55 0.39 115.11 123.28 2k0r h GLN 40 Ca -0.21 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 56.84 2k0r h GLN 40 Cb 1.07 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.38 2k0r h GLN 40 CO 0.96 0.31 -0.34 0.00 -0.95 0.00 0.00 178.83 178.81 2k0r h ALA 41 N 1.63 0.89 0.02 3.87 0.00 -1.92 -3.06 119.26 120.69 2k0r h ALA 41 Ca 0.57 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 2k0r h ALA 41 Cb 1.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k0r h ALA 41 CO -0.30 0.63 -0.96 -0.22 0.00 0.00 0.00 179.25 178.40 2k0r h LYS 42 N 0.51 0.26 -6.60 0.00 1.63 -0.75 -3.44 116.57 108.17 2k0r h LYS 42 Ca 0.06 -0.31 -0.52 0.00 -0.85 0.00 0.00 60.65 59.02 2k0r h LYS 42 Cb 0.83 0.10 0.04 0.00 -0.60 0.00 0.00 32.23 32.60 2k0r h LYS 42 CO 0.07 1.04 0.86 0.42 -3.45 0.00 0.00 179.45 178.40 2k0r s ILE 43 N -3.10 2.69 0.18 2.00 1.01 0.87 -4.69 121.20 120.16 2k0r s ILE 43 Ca -0.04 0.50 0.11 0.00 0.00 0.00 0.00 60.65 61.22 2k0r s ILE 43 Cb 0.09 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 2k0r s ILE 43 CO 0.85 0.04 -0.25 0.54 0.00 0.00 0.00 174.94 176.12 2k0r s VAL 44 N 1.14 2.34 -0.30 2.92 0.11 0.20 -4.93 120.40 121.88 2k0r s VAL 44 Ca 0.69 -1.96 -0.08 0.00 -2.93 0.00 0.00 61.98 57.70 2k0r s VAL 44 Cb -0.43 -2.10 0.18 0.00 -1.53 0.00 0.00 36.38 32.50 2k0r s VAL 44 CO 0.31 -0.07 0.91 -0.83 -3.33 0.00 0.00 175.10 172.09 2k0r s GLY 45 N -2.53 -0.67 -0.00 6.54 0.00 -1.24 -1.38 107.32 108.03 2k0r s GLY 45 Ca 0.19 2.30 0.00 0.00 0.00 0.00 0.00 44.72 47.22 2k0r s GLY 45 CO 0.09 3.76 -0.00 1.25 0.00 0.00 0.00 173.10 178.19 2k0r s LYS 46 N 2.92 0.07 -0.03 2.90 2.20 -0.45 -4.63 119.74 122.71 2k0r s LYS 46 Ca 0.09 0.00 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 2k0r s LYS 46 Cb -0.10 -0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.14 2k0r s LYS 46 CO -0.17 -0.01 -0.01 -0.08 -0.36 0.00 0.00 175.35 174.72 2k0r s THR 47 N 0.17 0.26 0.00 3.43 -1.32 -1.26 0.25 115.64 117.17 2k0r s THR 47 Ca -0.01 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 2k0r s THR 47 Cb -0.03 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 2k0r s THR 47 CO -0.00 0.17 0.00 -0.46 -2.21 0.00 0.00 174.62 172.11 2k0r n ASN 48 N 4.15 0.00 0.07 8.08 6.94 0.74 -4.45 115.26 130.79 2k0r n ASN 48 Ca -0.25 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.40 2k0r n ASN 48 Cb 0.50 0.00 0.40 0.00 -2.36 0.00 0.00 39.78 38.33 2k0r n ASN 48 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2k0r n PRO 49 N -0.09 0.10 0.00 -0.53 -0.04 -1.26 -1.51 135.00 131.67 2k0r n PRO 49 Ca 0.00 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2k0r n PRO 49 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2k0r n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k0r n ALA 50 N -1.65 0.00 0.00 0.55 0.00 -1.26 -4.82 120.51 113.34 2k0r n ALA 50 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k0r n ALA 50 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.98 0.00 -0.04 0.00 -0.08 -1.26 -5.03 116.55 108.16 2k0r n ASP 51 Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 2k0r n ASP 51 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 2k0r n ASP 51 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2k0r n LEU 52 N 0.00 2.73 -4.54 -2.67 4.77 -1.26 -4.96 117.00 111.08 2k0r n LEU 52 Ca 0.00 0.10 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 2k0r n LEU 52 Cb 0.00 -1.05 0.01 0.00 -2.33 0.00 0.00 43.42 40.06 2k0r n LEU 52 CO 0.00 0.87 0.35 -0.11 -1.33 0.00 0.00 177.39 177.17 2k0r n LEU 53 N -3.44 1.55 0.00 2.23 7.94 -1.26 -3.77 117.00 120.25 2k0r n LEU 53 Ca -0.37 0.95 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 2k0r n LEU 53 Cb 1.02 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.72 2k0r n LEU 53 CO 0.37 -2.16 0.00 0.61 -1.11 0.00 0.00 177.39 175.09 2k0r n GLY 54 N 1.47 -0.55 3.08 -3.96 0.00 -1.07 -4.72 105.19 99.42 2k0r n GLY 54 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.57 0.58 1.61 -2.07 -1.26 -5.01 119.66 114.08 2k0r s GLN 55 Ca 0.00 -1.07 -0.18 0.00 -1.82 0.00 0.00 55.36 52.28 2k0r s GLN 55 Cb 0.00 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 2k0r s GLN 55 CO 0.00 -0.07 1.12 -1.25 -1.32 0.00 0.00 175.29 173.77 2k0r s PRO 56 N -3.22 3.20 -0.50 9.60 0.04 -1.26 -4.24 135.00 138.62 2k0r s PRO 56 Ca 0.02 1.55 0.04 0.00 0.04 0.00 0.00 61.00 62.65 2k0r s PRO 56 Cb 0.02 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.74 2k0r s PRO 56 CO -0.07 -0.96 0.37 0.45 0.04 0.00 0.00 177.00 176.84 2k0r s SER 57 N -2.00 2.59 -0.05 6.66 0.15 0.12 -4.94 113.70 116.23 2k0r s SER 57 Ca 0.71 -3.24 -0.27 0.00 0.70 0.00 0.00 55.95 53.85 2k0r s SER 57 Cb -0.23 -0.81 -0.03 0.00 -1.71 0.00 0.00 66.02 63.24 2k0r s SER 57 CO 0.31 -0.16 0.87 0.72 1.20 0.00 0.00 173.24 176.18 2k0r s PHE 58 N -0.33 3.59 0.44 3.44 -0.12 -1.26 0.00 117.98 123.74 2k0r s PHE 58 Ca 0.29 1.48 -0.23 0.00 -0.05 0.00 0.00 56.93 58.42 2k0r s PHE 58 Cb -0.01 -3.01 -0.11 0.00 -0.63 0.00 0.00 43.02 39.27 2k0r s PHE 58 CO -0.17 -0.03 0.88 0.43 -0.05 0.00 0.00 175.22 176.29 2k0r n SER 59 N 4.13 0.64 -4.68 1.98 7.64 -0.60 -4.87 113.62 117.86 2k0r n SER 59 Ca 0.04 0.98 -0.42 0.00 1.01 0.00 0.00 58.87 60.47 2k0r n SER 59 Cb 0.51 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.39 2k0r n SER 59 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k0r s LYS 60 N -1.96 4.25 0.00 1.43 -0.14 -1.26 -4.92 119.74 117.13 2k0r s LYS 60 Ca 0.64 2.04 0.00 0.00 -1.36 0.00 0.00 55.97 57.30 2k0r s LYS 60 Cb -0.56 -3.63 0.00 0.00 -1.68 0.00 0.00 37.83 31.96 2k0r s LYS 60 CO 0.56 -0.64 0.00 0.41 -0.76 0.00 0.00 175.35 174.92 2k0r n GLY 61 N 3.76 2.63 3.53 -3.33 0.00 -1.26 -5.10 105.19 105.42 2k0r n GLY 61 Ca 0.14 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 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 4.28 3.75 -0.14 1.61 2.02 -0.57 -4.83 118.70 124.81 2k0r s GLU 62 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 2k0r s GLU 62 Cb 0.00 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 2k0r s GLU 62 CO 0.00 0.22 1.04 -2.00 0.02 0.00 0.00 175.26 174.53 2k0r s GLU 63 N 0.46 4.37 0.06 1.61 2.12 -1.26 -0.34 118.70 125.72 2k0r s GLU 63 Ca -0.01 1.41 0.05 0.00 0.36 0.00 0.00 54.97 56.78 2k0r s GLU 63 Cb -0.14 -3.57 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 2k0r s GLU 63 CO 0.02 -0.42 -0.14 0.21 -0.54 0.00 0.00 175.26 174.39 2k0r s LYS 64 N 2.38 0.85 -0.15 4.30 2.36 -0.01 -4.94 119.74 124.54 2k0r s LYS 64 Ca 0.48 -0.88 -0.01 0.00 -2.55 0.00 0.00 55.97 53.01 2k0r s LYS 64 Cb -0.18 -0.86 -0.01 0.00 -1.05 0.00 0.00 37.83 35.73 2k0r s LYS 64 CO 0.15 0.20 -0.11 -2.00 1.55 0.00 0.00 175.35 175.14 2k0r s GLU 65 N -1.51 3.41 0.00 4.03 -6.30 -1.25 -1.54 118.70 115.54 2k0r s GLU 65 Ca -0.01 -0.66 0.00 0.00 -2.50 0.00 0.00 54.97 51.80 2k0r s GLU 65 Cb -0.09 -2.71 0.00 0.00 0.00 0.00 0.00 34.13 31.32 2k0r s GLU 65 CO 0.02 0.16 0.00 -3.47 0.02 0.00 0.00 175.26 171.98 2k0r n ASP 66 N 3.71 0.00 -0.15 -1.70 -0.08 -0.07 -4.93 116.55 113.33 2k0r n ASP 66 Ca -0.18 -0.78 0.06 0.00 -1.51 0.00 0.00 54.79 52.38 2k0r n ASP 66 Cb 0.52 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.95 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 2.46 0.00 -0.67 0.28 -1.26 -2.37 120.64 119.08 2k0r n GLU 67 Ca 0.00 -0.38 0.15 0.00 -0.16 0.00 0.00 57.16 56.77 2k0r n GLU 67 Cb 0.00 -1.11 0.70 0.00 1.43 0.00 0.00 31.44 32.46 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 -0.69 0.00 0.00 -1.84 3.01 -1.26 -4.61 117.46 112.07 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 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 -0.35 0.00 0.00 1.38 -1.74 -1.26 -5.15 117.46 110.33 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 0.25 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.25 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 -0.29 0.40 3.32 4.97 0.00 -1.00 -4.89 105.19 107.70 2k0r n GLY 70 Ca 0.00 -1.80 -0.45 0.00 0.00 0.00 0.00 46.02 43.77 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 2.91 0.25 1.61 1.04 -1.25 -0.89 118.95 122.61 2k0r s ARG 71 Ca 0.00 -1.61 -0.12 0.00 -1.04 0.00 0.00 55.73 52.96 2k0r s ARG 71 Cb 0.00 -4.19 -0.01 0.00 -2.04 0.00 0.00 34.95 28.72 2k0r s ARG 71 CO 0.00 -1.22 0.47 -0.65 -0.04 0.00 0.00 175.30 173.86 2k0r s GLN 72 N 1.58 1.54 0.23 3.89 -1.52 -0.59 -4.93 119.66 119.85 2k0r s GLN 72 Ca 0.04 -1.27 -0.30 0.00 -1.95 0.00 0.00 55.36 51.88 2k0r s GLN 72 Cb -0.28 0.46 -0.09 0.00 -0.22 0.00 0.00 33.01 32.89 2k0r s GLN 72 CO 0.03 -0.64 0.95 0.99 -0.25 0.00 0.00 175.29 176.38 2k0r s THR 73 N -4.01 4.07 0.14 -0.19 2.01 -1.26 -0.83 115.64 115.57 2k0r s THR 73 Ca 0.23 2.06 -0.05 0.00 0.31 0.00 0.00 61.69 64.24 2k0r s THR 73 Cb -0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.17 2k0r s THR 73 CO 0.09 0.48 0.17 0.68 -0.69 0.00 0.00 174.62 175.35 2k0r s VAL 74 N -1.10 0.09 0.35 3.82 -7.23 0.54 0.23 120.40 117.10 2k0r s VAL 74 Ca 0.42 -1.62 0.09 0.00 -1.81 0.00 0.00 61.98 59.06 2k0r s VAL 74 Cb -0.26 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.72 2k0r s VAL 74 CO 0.32 -0.42 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.29 2k0r s TYR 75 N -4.00 2.40 0.00 2.82 2.02 -0.50 -1.51 117.35 118.59 2k0r s TYR 75 Ca 0.19 -0.51 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2k0r s TYR 75 Cb 0.05 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 2k0r s TYR 75 CO -0.00 0.57 0.07 -2.39 -1.57 0.00 0.00 175.55 172.23 2k0r n HIS 76 N -0.80 0.00 0.09 2.71 1.44 -1.26 -2.60 115.22 114.79 2k0r n HIS 76 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 2k0r n HIS 76 Cb 0.64 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.75 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 -0.81 -3.14 -2.49 -1.40 -0.00 -1.25 -3.90 115.22 102.23 2k0r n HIS 77 Ca 0.00 0.62 -0.43 0.00 -0.00 0.00 0.00 57.72 57.91 2k0r n HIS 77 Cb 0.00 1.80 -0.02 0.00 -0.00 0.00 0.00 29.99 31.77 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 -1.85 3.91 -0.34 1.57 -1.05 -1.26 -0.11 118.70 119.56 2k0r s GLU 78 Ca 0.00 1.10 0.01 0.00 -0.15 0.00 0.00 54.97 55.93 2k0r s GLU 78 Cb 0.00 -3.86 0.15 0.00 -0.44 0.00 0.00 34.13 29.98 2k0r s GLU 78 CO 0.00 -1.13 0.32 0.00 0.95 0.00 0.00 175.26 175.41 2k0r s ALA 79 N 4.27 -0.24 0.09 -0.84 0.00 -1.17 -4.85 121.76 119.02 2k0r s ALA 79 Ca 0.53 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.70 2k0r s ALA 79 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 2k0r s ALA 79 CO 0.23 -1.98 -0.22 -1.14 0.00 0.00 0.00 175.76 172.64 2k0r s GLN 80 N 1.71 1.75 0.01 0.00 0.74 -1.26 -1.19 119.66 121.42 2k0r s GLN 80 Ca 0.14 -1.16 0.04 0.00 0.05 0.00 0.00 55.36 54.43 2k0r s GLN 80 Cb -0.16 -2.05 -0.01 0.00 1.10 0.00 0.00 33.01 31.89 2k0r s GLN 80 CO -0.14 0.49 -0.11 0.08 -0.55 0.00 0.00 175.29 175.06 2k0r s VAL 81 N -1.00 0.89 -0.15 1.34 1.01 0.89 -1.55 120.40 121.82 2k0r s VAL 81 Ca 0.15 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2k0r s VAL 81 Cb -0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2k0r s VAL 81 CO 0.06 0.14 0.04 0.00 0.00 0.00 0.00 175.10 175.34 2k0r s ALA 82 N -0.48 3.37 -0.73 5.51 0.00 0.10 -1.63 121.76 127.91 2k0r s ALA 82 Ca 0.03 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.26 2k0r s ALA 82 Cb -0.05 -1.79 0.18 0.00 0.00 0.00 0.00 23.12 21.45 2k0r s ALA 82 CO 0.00 0.31 0.54 -0.06 0.00 0.00 0.00 175.76 176.54 2k0r s PHE 83 N -0.02 3.60 0.34 0.00 0.08 0.13 0.11 117.98 122.23 2k0r s PHE 83 Ca 0.05 -3.20 -0.28 0.00 0.12 0.00 0.00 56.93 53.63 2k0r s PHE 83 Cb -0.12 -2.90 -0.09 0.00 -0.57 0.00 0.00 43.02 39.33 2k0r s PHE 83 CO 0.01 -0.64 1.21 -1.25 -0.10 0.00 0.00 175.22 174.45 2k0r s PRO 84 N -1.18 4.31 0.19 0.24 0.04 -1.26 -1.46 135.00 135.88 2k0r s PRO 84 Ca 0.24 1.99 -0.28 0.00 0.04 0.00 0.00 61.00 62.99 2k0r s PRO 84 Cb -0.09 -2.96 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 2k0r s PRO 84 CO -0.12 -0.15 0.86 0.71 0.04 0.00 0.00 177.00 178.34 2k0r s TYR 85 N -1.24 3.93 -0.38 0.56 2.02 -1.20 -2.61 117.35 118.43 2k0r s TYR 85 Ca 0.51 1.77 0.23 0.00 -0.37 0.00 0.00 57.07 59.20 2k0r s TYR 85 Cb -0.35 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.33 2k0r s TYR 85 CO 0.45 0.46 0.98 0.00 -1.57 0.00 0.00 175.55 175.87 2k0r n ALA 86 N 1.69 2.93 -3.46 3.71 0.00 -1.25 -4.69 120.51 119.44 2k0r n ALA 86 Ca -0.03 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 2k0r n ALA 86 Cb 0.48 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 2k0r n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k0r s LYS 87 N -3.31 0.60 0.18 0.00 2.47 -1.26 -4.96 119.74 113.47 2k0r s LYS 87 Ca 0.01 0.77 -0.33 0.00 -1.56 0.00 0.00 55.97 54.85 2k0r s LYS 87 Cb 0.12 0.26 -0.14 0.00 -1.46 0.00 0.00 37.83 36.62 2k0r s LYS 87 CO 0.81 -0.09 1.45 0.00 0.16 0.00 0.00 175.35 177.68 2k0r n ALA 88 N 3.01 0.79 -3.60 3.13 0.00 -1.26 -4.95 120.51 117.63 2k0r n ALA 88 Ca -0.15 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.58 2k0r n ALA 88 Cb 0.56 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.60 2k0r n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k0r s VAL 89 N 0.40 0.04 -1.49 0.00 1.01 -1.26 -5.02 120.40 114.08 2k0r s VAL 89 Ca 0.75 0.13 0.18 0.00 0.00 0.00 0.00 61.98 63.04 2k0r s VAL 89 Cb -0.72 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2k0r s VAL 89 CO 0.45 0.10 0.89 0.61 0.00 0.00 0.00 175.10 177.14 2k0r n GLY 90 N 3.98 -0.14 3.98 4.51 0.00 -1.26 -4.98 105.19 111.28 2k0r n GLY 90 Ca -0.25 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.20 3.21 0.55 1.61 2.02 -1.26 -5.09 118.70 117.54 2k0r s GLU 91 Ca 0.13 -0.90 -0.19 0.00 0.02 0.00 0.00 54.97 54.03 2k0r s GLU 91 Cb 0.14 -2.82 -0.06 0.00 0.10 0.00 0.00 34.13 31.49 2k0r s GLU 91 CO 0.51 0.15 1.13 -1.25 0.02 0.00 0.00 175.26 175.81 2k0r s PRO 92 N -4.15 3.35 0.29 0.39 0.04 -1.26 -4.98 135.00 128.67 2k0r s PRO 92 Ca 0.42 1.60 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2k0r s PRO 92 Cb -0.09 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2k0r s PRO 92 CO 0.31 -0.85 0.02 1.52 0.04 0.00 0.00 177.00 178.03 2k0r s TYR 93 N -1.79 1.84 0.06 0.56 1.13 -0.74 -4.62 117.35 113.78 2k0r s TYR 93 Ca 0.73 -0.90 0.02 0.00 -1.41 0.00 0.00 57.07 55.50 2k0r s TYR 93 Cb -0.24 -1.13 -0.04 0.00 -1.10 0.00 0.00 41.96 39.45 2k0r s TYR 93 CO 0.27 0.04 0.10 0.21 -2.51 0.00 0.00 175.55 173.66 2k0r s LYS 94 N -3.86 3.01 0.03 -3.49 2.36 -0.57 -1.23 119.74 116.00 2k0r s LYS 94 Ca 0.33 -0.61 0.08 0.00 -2.55 0.00 0.00 55.97 53.23 2k0r s LYS 94 Cb 0.07 -2.81 -0.03 0.00 -1.05 0.00 0.00 37.83 34.02 2k0r s LYS 94 CO 0.13 0.59 -0.24 -1.17 1.55 0.00 0.00 175.35 176.20 2k0r s LEU 95 N -2.28 2.14 -0.16 5.43 0.20 0.72 -0.19 118.68 124.54 2k0r s LEU 95 Ca 0.29 -0.54 -0.02 0.00 0.69 0.00 0.00 54.13 54.55 2k0r s LEU 95 Cb -0.12 -1.19 0.05 0.00 -0.43 0.00 0.00 46.19 44.50 2k0r s LEU 95 CO 0.21 0.24 0.01 -0.69 -0.29 0.00 0.00 176.35 175.84 2k0r s VAL 96 N -0.75 0.62 -0.07 1.68 1.01 0.14 -1.00 120.40 122.03 2k0r s VAL 96 Ca 0.10 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2k0r s VAL 96 Cb -0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2k0r s VAL 96 CO 0.01 -0.05 -0.20 -0.76 0.00 0.00 0.00 175.10 174.10 2k0r s LEU 97 N 1.83 2.36 -0.06 3.92 2.01 0.63 -1.35 118.68 128.02 2k0r s LEU 97 Ca 0.00 -0.39 -0.00 0.00 0.01 0.00 0.00 54.13 53.75 2k0r s LEU 97 Cb -0.16 -1.46 0.02 0.00 0.01 0.00 0.00 46.19 44.60 2k0r s LEU 97 CO -0.07 0.26 -0.03 -0.89 1.01 0.00 0.00 176.35 176.63 2k0r s THR 98 N -0.26 0.53 -0.06 5.49 2.01 -0.48 0.04 115.64 122.90 2k0r s THR 98 Ca 0.00 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.01 2k0r s THR 98 Cb -0.13 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 2k0r s THR 98 CO 0.03 0.26 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.68 2k0r s TYR 99 N 1.43 2.51 -0.23 4.92 2.02 -0.05 -0.63 117.35 127.32 2k0r s TYR 99 Ca -0.03 -0.62 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 2k0r s TYR 99 Cb -0.13 -1.63 0.09 0.00 -0.40 0.00 0.00 41.96 39.89 2k0r s TYR 99 CO -0.03 -0.15 0.52 -1.14 -1.57 0.00 0.00 175.55 173.19 2k0r s GLN 100 N -0.21 0.47 0.00 -0.62 0.74 -1.26 -0.11 119.66 118.67 2k0r s GLN 100 Ca -0.02 1.12 0.00 0.00 0.05 0.00 0.00 55.36 56.52 2k0r s GLN 100 Cb -0.13 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.33 2k0r s GLN 100 CO 0.03 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 2k0r n GLY 101 N 4.95 3.20 3.33 2.59 0.00 -1.26 -3.05 105.19 114.94 2k0r n GLY 101 Ca -0.15 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 1.99 0.12 -0.04 1.61 0.01 0.19 -3.81 113.70 113.76 2k0r s SER 102 Ca 0.00 -1.26 -0.16 0.00 1.31 0.00 0.00 55.95 55.85 2k0r s SER 102 Cb 0.00 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2k0r s SER 102 CO 0.00 -0.94 0.42 0.00 0.41 0.00 0.00 173.24 173.12 2k0r s ALA 103 N -4.08 3.63 0.63 1.44 0.00 0.87 -0.52 121.76 123.73 2k0r s ALA 103 Ca 0.34 -0.22 0.32 0.00 0.00 0.00 0.00 51.96 52.39 2k0r s ALA 103 Cb 0.04 -2.46 1.75 0.00 0.00 0.00 0.00 23.12 22.46 2k0r s ALA 103 CO 0.12 0.33 2.06 0.93 0.00 0.00 0.00 175.76 179.20 2k0r h GLU 104 N 5.35 0.00 0.00 0.00 5.08 -1.26 0.22 114.58 123.96 2k0r h GLU 104 Ca -0.48 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.76 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 1.63 0.93 0.00 3.43 0.00 -1.93 -3.47 119.26 119.85 2k0r h ALA 105 Ca 0.06 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2k0r h ALA 105 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k0r h ALA 105 CO -0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2k0r n GLY 106 N 0.34 0.88 3.22 0.00 0.00 0.76 -5.16 105.19 105.24 2k0r n GLY 106 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 1.56 -0.19 1.61 1.01 -1.16 -4.94 120.40 117.62 2k0r s VAL 107 Ca 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.93 2k0r s VAL 107 Cb 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.07 2k0r s VAL 107 CO 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 175.10 175.19 2k0r s TYR 109 N 1.31 2.81 0.84 0.00 1.13 -1.25 -5.06 117.35 117.13 2k0r s TYR 109 Ca 0.01 -0.19 -0.11 0.00 -1.41 0.00 0.00 57.07 55.37 2k0r s TYR 109 Cb -0.15 -1.26 0.10 0.00 -1.10 0.00 0.00 41.96 39.55 2k0r s TYR 109 CO -0.10 0.59 1.09 -1.25 -2.51 0.00 0.00 175.55 173.37 2k0r s PRO 110 N -3.72 1.72 0.58 -3.49 0.04 -1.26 -4.63 135.00 124.24 2k0r s PRO 110 Ca 0.32 0.98 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 2k0r s PRO 110 Cb -0.07 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2k0r s PRO 110 CO 0.21 -1.97 1.12 -1.25 0.04 0.00 0.00 177.00 175.16 2k0r s PRO 111 N -4.92 3.18 -0.22 0.56 0.04 -1.26 -4.82 135.00 127.55 2k0r s PRO 111 Ca 0.62 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2k0r s PRO 111 Cb -0.18 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.56 -0.98 -0.09 0.08 0.04 0.00 0.00 177.00 176.62 2k0r s VAL 112 N -1.96 1.70 -0.10 -0.36 1.01 0.84 -4.99 120.40 116.55 2k0r s VAL 112 Ca 0.71 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 2k0r s VAL 112 Cb -0.23 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2k0r s VAL 112 CO 0.32 0.03 0.13 -0.62 0.00 0.00 0.00 175.10 174.95 2k0r s ASP 113 N 1.34 6.25 -0.17 3.32 2.15 -1.26 -0.87 116.67 127.43 2k0r s ASP 113 Ca -0.04 0.42 -0.08 0.00 0.43 0.00 0.00 52.55 53.27 2k0r s ASP 113 Cb -0.18 -1.99 0.07 0.00 -0.30 0.00 0.00 42.92 40.52 2k0r s ASP 113 CO -0.07 0.39 0.40 0.42 -0.17 0.00 0.00 175.17 176.14 2k0r s THR 114 N -1.05 -0.24 -0.10 1.71 -4.23 0.11 -5.00 115.64 106.84 2k0r s THR 114 Ca 0.16 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 2k0r s THR 114 Cb -0.12 -0.61 -0.03 0.00 1.34 0.00 0.00 72.50 73.08 2k0r s THR 114 CO 0.06 0.05 0.02 -1.61 -0.54 0.00 0.00 174.62 172.60 2k0r s GLU 115 N 1.82 3.16 -0.11 3.99 2.02 -1.26 -0.27 118.70 128.05 2k0r s GLU 115 Ca -0.07 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 54.59 2k0r s GLU 115 Cb -0.10 -2.88 0.00 0.00 0.10 0.00 0.00 34.13 31.25 2k0r s GLU 115 CO -0.12 0.65 -0.22 -0.06 0.02 0.00 0.00 175.26 175.53 2k0r s PHE 116 N -0.74 2.45 -0.36 1.61 0.08 -0.17 -4.94 117.98 115.90 2k0r s PHE 116 Ca 0.12 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 55.88 2k0r s PHE 116 Cb -0.12 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2k0r s PHE 116 CO 0.02 -0.45 0.78 -0.51 -0.10 0.00 0.00 175.22 174.96 2k0r s ASP 117 N 0.51 6.55 -0.18 1.36 1.01 -1.26 -0.20 116.67 124.46 2k0r s ASP 117 Ca -0.15 0.35 -0.16 0.00 0.71 0.00 0.00 52.55 53.30 2k0r s ASP 117 Cb -0.17 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2k0r s ASP 117 CO 0.05 -0.73 0.38 -0.63 0.21 0.00 0.00 175.17 174.45 2k0r s ILE 118 N 3.10 5.22 0.00 0.77 -1.09 -0.37 -4.89 121.20 123.94 2k0r s ILE 118 Ca 0.31 0.69 0.02 0.00 -2.23 0.00 0.00 60.65 59.44 2k0r s ILE 118 Cb -0.13 -3.71 0.03 0.00 -1.58 0.00 0.00 42.46 37.07 2k0r s ILE 118 CO 0.17 0.29 0.94 2.22 -1.23 0.00 0.00 174.94 177.33 2k0r n PHE 119 N 4.19 0.00 -0.35 3.97 1.16 -1.26 -1.80 117.46 123.37 2k0r n PHE 119 Ca -0.09 -0.42 0.00 0.00 -1.87 0.00 0.00 57.45 55.07 2k0r n PHE 119 Cb 0.51 0.41 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 0.04 -0.45 0.00 4.97 0.00 -1.26 -5.00 105.19 103.49 2k0r n GLY 120 Ca -0.21 -0.84 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 5.15 -1.26 -5.08 115.26 115.68 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 -0.26 2.09 3.75 8.20 0.00 -1.26 -4.94 105.19 112.76 2k0r n GLY 122 Ca 0.00 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 4.99 0.01 2.61 2.01 -1.26 -1.08 115.64 122.93 2k0r s THR 123 Ca 0.00 1.21 0.02 0.00 0.31 0.00 0.00 61.69 63.23 2k0r s THR 123 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2k0r s THR 123 CO 0.00 0.37 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.94 2k0r s TYR 124 N 0.13 0.47 0.02 4.92 1.51 -1.16 -4.98 117.35 118.27 2k0r s TYR 124 Ca 0.31 -0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 56.07 2k0r s TYR 124 Cb -0.17 -0.30 -0.00 0.00 -0.11 0.00 0.00 41.96 41.37 2k0r s TYR 124 CO 0.16 -0.04 0.12 -1.01 -1.11 0.00 0.00 175.55 173.67 2k0r s HIS 125 N -0.58 0.12 0.66 2.71 3.76 -1.26 -2.50 115.29 118.20 2k0r s HIS 125 Ca -0.03 -0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 54.40 2k0r s HIS 125 Cb -0.05 -0.09 -0.00 0.00 1.11 0.00 0.00 32.58 33.55 2k0r s HIS 125 CO -0.00 -0.34 1.11 -1.25 -0.85 0.00 0.00 174.74 173.41 2k0r s PRO 126 N -2.10 2.80 -0.45 8.40 0.04 -1.26 -4.98 135.00 137.44 2k0r s PRO 126 Ca -0.09 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.37 2k0r s PRO 126 Cb -0.04 -1.95 0.44 0.00 0.04 0.00 0.00 34.50 32.99 2k0r s PRO 126 CO -0.02 -1.25 1.45 0.00 0.04 0.00 0.00 177.00 177.22 2k0r n GLN 127 N -2.42 3.29 0.00 4.56 10.64 -1.26 -5.20 117.38 126.99 2k0r n GLN 127 Ca 0.10 -3.97 0.01 0.00 -1.83 0.00 0.00 57.00 51.31 2k0r n GLN 127 Cb 0.52 -2.28 0.01 0.00 -0.86 0.00 0.00 30.24 27.63 2k0r n GLN 127 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48