#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 -1.66 -0.24 3.04 0.00 -1.26 -5.11 121.76 116.53 2k0r s ALA 2 Ca 0.00 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.73 2k0r s ALA 2 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 2k0r s ALA 2 CO 0.00 -0.46 2.25 1.28 0.00 0.00 0.00 175.76 178.83 2k0r n LEU 3 N 0.61 3.18 -0.44 0.00 4.32 -1.26 -4.81 117.00 118.60 2k0r n LEU 3 Ca -0.19 0.13 0.08 0.00 -0.02 0.00 0.00 56.01 56.02 2k0r n LEU 3 Cb 0.59 -1.56 0.32 0.00 -1.62 0.00 0.00 43.42 41.15 2k0r n LEU 3 CO 0.21 -0.78 0.73 -0.67 -1.22 0.00 0.00 177.39 175.66 2k0r n ASP 4 N 12.15 1.30 -0.28 -1.43 2.03 -1.26 -4.92 116.55 124.13 2k0r n ASP 4 Ca 0.31 -1.75 0.00 0.00 0.52 0.00 0.00 54.79 53.87 2k0r n ASP 4 Cb 0.46 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.11 0.00 -0.97 -1.67 0.00 -1.26 -4.81 120.51 111.91 2k0r n ALA 5 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2k0r n ALA 5 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -3.54 -3.92 0.00 0.00 2.85 -1.26 -2.56 115.26 106.83 2k0r n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k0r n ASN 6 Cb 0.00 -1.85 0.00 0.00 1.24 0.00 0.00 39.78 39.17 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 2k0r n ASP 7 N -0.42 -1.48 0.30 1.20 5.75 -1.26 -4.82 116.55 115.82 2k0r n ASP 7 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 54.79 54.97 2k0r n ASP 7 Cb 0.21 -1.53 0.99 0.00 -1.03 0.00 0.00 41.12 39.76 2k0r n ASP 7 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2k0r h LEU 8 N 0.00 0.00 -9.78 -2.12 6.46 -1.82 -3.41 115.31 104.64 2k0r h LEU 8 Ca 0.00 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 57.23 2k0r h LEU 8 Cb 0.17 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.03 2k0r h LEU 8 CO 0.00 0.00 -0.57 -1.48 -0.62 0.00 0.00 178.44 175.77 2k0r s LEU 9 N -6.45 3.64 0.92 2.25 2.34 -1.26 -5.09 118.68 115.03 2k0r s LEU 9 Ca -0.04 -0.33 -0.12 0.00 0.06 0.00 0.00 54.13 53.70 2k0r s LEU 9 Cb 0.12 -2.19 0.14 0.00 -0.56 0.00 0.00 46.19 43.70 2k0r s LEU 9 CO 0.41 -0.01 1.09 -2.16 -1.06 0.00 0.00 176.35 174.62 2k0r s PRO 10 N -3.64 1.09 0.14 1.48 0.04 -1.26 -4.79 135.00 128.05 2k0r s PRO 10 Ca 0.32 0.76 0.19 0.00 0.04 0.00 0.00 61.00 62.31 2k0r s PRO 10 Cb -0.08 -1.79 0.81 0.00 0.04 0.00 0.00 34.50 33.48 2k0r s PRO 10 CO 0.23 -2.34 1.59 -0.35 0.04 0.00 0.00 177.00 176.17 2k0r n PRO 11 N -3.94 0.10 -0.01 0.56 -0.04 -1.26 -0.75 135.00 129.66 2k0r n PRO 11 Ca 0.07 0.35 -0.17 0.00 -0.04 0.00 0.00 63.50 63.71 2k0r n PRO 11 Cb 0.56 -1.70 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 2k0r n PRO 11 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0r h GLU 12 N 0.00 0.22 0.00 0.54 5.08 -1.91 -3.32 114.58 115.19 2k0r h GLU 12 Ca 0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2k0r h GLU 12 Cb 0.30 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k0r h GLU 12 CO 0.00 1.05 -0.86 1.17 -1.00 0.00 0.00 179.01 179.38 2k0r n LYS 13 N -4.37 0.27 0.23 2.33 0.00 -1.16 -3.95 118.16 111.50 2k0r n LYS 13 Ca -0.11 0.03 0.09 0.00 0.00 0.00 0.00 58.31 58.32 2k0r n LYS 13 Cb 0.61 -1.62 0.57 0.00 0.00 0.00 0.00 35.03 34.59 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 2.56 1.27 -3.53 3.14 0.00 -1.05 -3.42 119.26 118.23 2k0r h ALA 14 Ca 0.00 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 54.05 2k0r h ALA 14 Cb 0.72 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.21 2k0r h ALA 14 CO 0.00 0.26 -0.79 -0.06 0.00 0.00 0.00 179.25 178.67 2k0r s PHE 15 N -4.10 2.73 -0.74 0.00 0.08 -1.25 -0.04 117.98 114.67 2k0r s PHE 15 Ca -0.02 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 56.46 2k0r s PHE 15 Cb 0.13 -1.77 0.18 0.00 -0.57 0.00 0.00 43.02 40.99 2k0r s PHE 15 CO 0.64 -0.15 0.56 0.08 -0.10 0.00 0.00 175.22 176.25 2k0r s VAL 16 N 0.08 3.44 0.29 -0.44 1.01 0.12 -4.91 120.40 119.98 2k0r s VAL 16 Ca -0.06 -3.92 -0.29 0.00 0.00 0.00 0.00 61.98 57.70 2k0r s VAL 16 Cb -0.15 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 2k0r s VAL 16 CO 0.05 -1.00 1.24 -2.16 0.00 0.00 0.00 175.10 173.23 2k0r s PRO 17 N -1.17 4.45 -0.06 2.72 0.04 -1.26 -1.61 135.00 138.12 2k0r s PRO 17 Ca 0.24 2.06 -0.04 0.00 0.04 0.00 0.00 61.00 63.30 2k0r s PRO 17 Cb -0.09 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2k0r s PRO 17 CO -0.12 -0.07 0.14 -2.00 0.04 0.00 0.00 177.00 174.99 2k0r s GLU 18 N -1.42 0.13 0.04 4.56 2.12 0.13 -4.85 118.70 119.40 2k0r s GLU 18 Ca 0.49 0.28 0.01 0.00 0.36 0.00 0.00 54.97 56.10 2k0r s GLU 18 Cb -0.37 -0.04 -0.04 0.00 0.26 0.00 0.00 34.13 33.94 2k0r s GLU 18 CO 0.47 -0.09 0.10 -1.17 -0.54 0.00 0.00 175.26 174.03 2k0r s LEU 19 N 0.59 3.94 -0.26 2.70 1.98 -1.11 -0.96 118.68 125.57 2k0r s LEU 19 Ca -0.04 0.11 -0.02 0.00 -2.89 0.00 0.00 54.13 51.29 2k0r s LEU 19 Cb -0.06 -2.46 0.12 0.00 0.66 0.00 0.00 46.19 44.45 2k0r s LEU 19 CO -0.03 0.22 0.27 0.00 -1.89 0.00 0.00 176.35 174.92 2k0r s ALA 20 N -1.31 -0.41 0.18 5.97 0.00 0.87 -3.28 121.76 123.77 2k0r s ALA 20 Ca 0.27 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 2k0r s ALA 20 Cb -0.12 -1.62 -0.07 0.00 0.00 0.00 0.00 23.12 21.30 2k0r s ALA 20 CO 0.19 -1.51 0.99 0.08 0.00 0.00 0.00 175.76 175.50 2k0r s VAL 21 N 2.36 4.19 0.37 0.00 1.01 0.88 -0.04 120.40 129.16 2k0r s VAL 21 Ca 0.09 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.05 2k0r s VAL 21 Cb -0.15 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 2k0r s VAL 21 CO -0.25 0.38 0.04 0.00 0.00 0.00 0.00 175.10 175.27 2k0r n ALA 22 N 2.18 0.38 0.31 5.51 0.00 0.74 -4.76 120.51 124.87 2k0r n ALA 22 Ca 0.01 -1.73 0.11 0.00 0.00 0.00 0.00 53.44 51.83 2k0r n ALA 22 Cb 0.48 1.02 0.02 0.00 0.00 0.00 0.00 19.45 20.97 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 0.66 -0.32 0.00 2.03 -1.26 -3.99 116.55 112.27 2k0r n ASP 23 Ca -0.12 0.09 0.03 0.00 0.52 0.00 0.00 54.79 55.32 2k0r n ASP 23 Cb 0.50 0.67 0.08 0.00 -0.72 0.00 0.00 41.12 41.65 2k0r n ASP 23 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k0r n ASP 24 N -2.32 2.50 0.00 1.67 8.00 -1.26 -5.04 116.55 120.11 2k0r n ASP 24 Ca 0.01 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.41 2k0r n ASP 24 Cb 0.50 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 -0.21 3.32 0.44 0.00 -1.26 -2.92 105.19 104.45 2k0r n GLY 25 Ca 0.07 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.55 2.15 -0.13 1.61 1.01 -0.34 -0.18 120.40 121.96 2k0r s VAL 26 Ca 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2k0r s VAL 26 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.62 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 -0.51 3.35 -0.11 3.32 0.01 0.94 0.39 114.94 122.33 2k0r s ASN 27 Ca 0.07 -0.52 0.03 0.00 -0.71 0.00 0.00 52.86 51.73 2k0r s ASN 27 Cb -0.11 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 40.07 2k0r s ASN 27 CO 0.00 0.12 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.80 2k0r s VAL 28 N 0.59 2.02 -0.07 1.60 1.01 -0.58 -0.09 120.40 124.88 2k0r s VAL 28 Ca -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2k0r s VAL 28 Cb -0.16 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2k0r s VAL 28 CO 0.03 0.55 -0.12 -0.60 0.00 0.00 0.00 175.10 174.96 2k0r s ARG 29 N 0.54 1.75 -0.14 2.72 3.00 -0.14 -0.56 118.95 126.12 2k0r s ARG 29 Ca -0.14 -0.42 0.00 0.00 -1.00 0.00 0.00 55.73 54.17 2k0r s ARG 29 Cb -0.17 -1.46 0.03 0.00 0.00 0.00 0.00 34.95 33.35 2k0r s ARG 29 CO 0.05 0.01 -0.11 -0.59 0.00 0.00 0.00 175.30 174.66 2k0r s PHE 30 N 0.73 1.91 -0.36 5.12 -0.71 -0.38 0.18 117.98 124.47 2k0r s PHE 30 Ca -0.13 -1.06 -0.24 0.00 -1.04 0.00 0.00 56.93 54.46 2k0r s PHE 30 Cb -0.16 -1.45 0.01 0.00 -1.21 0.00 0.00 43.02 40.21 2k0r s PHE 30 CO 0.03 -0.62 0.81 1.03 -1.34 0.00 0.00 175.22 175.14 2k0r s ARG 31 N 1.57 3.78 0.03 1.99 0.52 -0.63 -3.21 118.95 122.99 2k0r s ARG 31 Ca 0.04 0.38 -0.07 0.00 -0.52 0.00 0.00 55.73 55.57 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 -0.09 -0.86 0.29 0.42 0.02 0.00 0.00 175.30 175.08 2k0r s ILE 32 N 3.16 5.26 0.56 1.52 1.01 0.11 0.10 121.20 132.93 2k0r s ILE 32 Ca 0.33 0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 2k0r s ILE 32 Cb -0.13 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2k0r s ILE 32 CO 0.17 0.33 1.24 0.00 0.00 0.00 0.00 174.94 176.68 2k0r s ALA 33 N -1.34 2.69 0.57 9.38 0.00 0.94 -4.17 121.76 129.84 2k0r s ALA 33 Ca 0.29 1.09 0.41 0.00 0.00 0.00 0.00 51.96 53.76 2k0r s ALA 33 Cb -0.13 -3.48 2.24 0.00 0.00 0.00 0.00 23.12 21.75 2k0r s ALA 33 CO 0.17 -1.15 2.26 -0.44 0.00 0.00 0.00 175.76 176.60 2k0r h ASP 34 N 1.24 0.00 -0.43 0.00 5.19 -1.91 0.60 116.42 121.10 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2k0r h ASP 34 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.29 2k0r n GLY 35 N -1.12 1.71 3.13 2.75 0.00 -1.26 -4.67 105.19 105.73 2k0r n GLY 35 Ca -0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.67 0.31 -0.22 1.61 2.02 0.20 -0.81 117.35 118.80 2k0r s TYR 36 Ca 0.33 -0.75 -0.16 0.00 -0.37 0.00 0.00 57.07 56.12 2k0r s TYR 36 Cb 0.21 -0.22 0.06 0.00 -0.40 0.00 0.00 41.96 41.61 2k0r s TYR 36 CO 0.17 -0.42 0.55 1.52 -1.57 0.00 0.00 175.55 175.80 2k0r s TYR 37 N -3.48 -0.72 -0.07 2.71 1.13 -0.10 -4.54 117.35 112.29 2k0r s TYR 37 Ca 0.02 1.59 0.02 0.00 -1.41 0.00 0.00 57.07 57.30 2k0r s TYR 37 Cb 0.04 0.32 -0.03 0.00 -1.10 0.00 0.00 41.96 41.20 2k0r s TYR 37 CO -0.09 -0.36 -0.11 -1.64 -2.51 0.00 0.00 175.55 170.84 2k0r s MET 38 N 0.90 2.71 -0.04 -3.49 -1.94 -1.03 -1.08 119.30 115.33 2k0r s MET 38 Ca -0.05 -0.64 -0.30 0.00 -1.71 0.00 0.00 55.69 53.00 2k0r s MET 38 Cb -0.05 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.26 2k0r s MET 38 CO -0.08 0.59 1.17 0.71 -0.01 0.00 0.00 175.02 177.40 2k0r s TYR 39 N -0.62 3.28 0.30 -0.03 2.02 -1.16 -1.23 117.35 119.90 2k0r s TYR 39 Ca 0.09 1.28 0.06 0.00 -0.37 0.00 0.00 57.07 58.13 2k0r s TYR 39 Cb -0.11 -3.39 0.76 0.00 -0.40 0.00 0.00 41.96 38.82 2k0r s TYR 39 CO 0.01 -1.15 1.74 0.37 -1.57 0.00 0.00 175.55 174.95 2k0r h GLN 40 N 7.30 0.60 -0.18 -0.62 4.15 -0.82 0.45 115.11 125.99 2k0r h GLN 40 Ca -0.35 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 58.92 2k0r h GLN 40 Cb 1.17 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 2k0r h GLN 40 CO 0.86 0.40 -0.36 0.00 -1.93 0.00 0.00 178.83 177.80 2k0r h ALA 41 N 1.67 1.05 0.01 3.38 0.00 -1.92 -3.03 119.26 120.44 2k0r h ALA 41 Ca 0.58 -0.40 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 2k0r h ALA 41 Cb 1.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2k0r h ALA 41 CO -0.44 0.59 -0.97 0.87 0.00 0.00 0.00 179.25 179.30 2k0r h LYS 42 N 0.33 0.38 -6.87 0.00 1.79 -0.76 -3.45 116.57 107.99 2k0r h LYS 42 Ca 0.04 -0.43 -0.53 0.00 -2.18 0.00 0.00 60.65 57.55 2k0r h LYS 42 Cb 0.79 0.13 0.07 0.00 -1.58 0.00 0.00 32.23 31.63 2k0r h LYS 42 CO 0.06 1.11 0.68 0.42 -1.08 0.00 0.00 179.45 180.64 2k0r s ILE 43 N -3.20 2.61 0.05 1.86 1.01 0.12 -4.57 121.20 119.08 2k0r s ILE 43 Ca -0.05 0.60 0.03 0.00 0.00 0.00 0.00 60.65 61.22 2k0r s ILE 43 Cb 0.09 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2k0r s ILE 43 CO 0.87 0.14 -0.09 -0.69 0.00 0.00 0.00 174.94 175.16 2k0r s VAL 44 N -0.96 0.70 -0.30 2.92 1.01 0.63 -4.94 120.40 119.46 2k0r s VAL 44 Ca 0.51 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 2k0r s VAL 44 Cb -0.41 -0.77 0.18 0.00 0.00 0.00 0.00 36.38 35.38 2k0r s VAL 44 CO 0.53 -0.36 0.99 -0.83 0.00 0.00 0.00 175.10 175.43 2k0r s GLY 45 N -1.68 -0.36 -0.01 4.51 0.00 -1.24 -0.48 107.32 108.06 2k0r s GLY 45 Ca -0.07 2.77 -0.00 0.00 0.00 0.00 0.00 44.72 47.42 2k0r s GLY 45 CO 0.01 3.59 0.01 -1.59 0.00 0.00 0.00 173.10 175.12 2k0r s LYS 46 N 2.77 -0.00 -0.06 2.90 0.00 -0.45 -4.83 119.74 120.07 2k0r s LYS 46 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 55.97 56.03 2k0r s LYS 46 Cb -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 37.83 37.71 2k0r s LYS 46 CO -0.14 -0.04 -0.03 -0.08 0.00 0.00 0.00 175.35 175.06 2k0r s THR 47 N 0.24 0.49 -0.28 3.79 -1.32 -1.26 -0.01 115.64 117.29 2k0r s THR 47 Ca -0.02 -0.03 -0.38 0.00 -1.21 0.00 0.00 61.69 60.04 2k0r s THR 47 Cb -0.03 -0.57 0.16 0.00 -1.51 0.00 0.00 72.50 70.55 2k0r s THR 47 CO -0.01 0.24 1.38 0.54 -2.21 0.00 0.00 174.62 174.56 2k0r s ASN 48 N 1.37 -0.02 0.11 8.08 4.22 0.27 -4.51 114.94 124.46 2k0r s ASN 48 Ca -0.04 -0.00 -0.14 0.00 -2.14 0.00 0.00 52.86 50.54 2k0r s ASN 48 Cb -0.13 0.02 -0.07 0.00 1.28 0.00 0.00 41.25 42.34 2k0r s ASN 48 CO -0.03 -0.03 1.44 1.55 -2.04 0.00 0.00 177.10 177.99 2k0r h PRO 49 N 2.00 0.77 -0.01 3.55 0.13 -1.83 -1.80 132.00 134.81 2k0r h PRO 49 Ca -0.03 -0.41 -0.23 0.00 -0.87 0.00 0.00 66.00 64.46 2k0r h PRO 49 Cb 1.13 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 2k0r h PRO 49 CO 0.19 1.03 -0.40 0.00 -0.23 0.00 0.00 178.00 178.59 2k0r n ALA 50 N -2.51 0.23 -3.24 -0.56 0.00 -1.26 -4.74 120.51 108.44 2k0r n ALA 50 Ca -0.03 -1.39 -0.16 0.00 0.00 0.00 0.00 53.44 51.85 2k0r n ALA 50 Cb 0.49 -1.08 0.07 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.11 -3.58 -0.11 0.00 -0.08 -1.26 -4.94 116.55 106.46 2k0r n ASP 51 Ca 0.02 -0.46 -0.13 0.00 -1.51 0.00 0.00 54.79 52.71 2k0r n ASP 51 Cb 0.77 -4.15 -0.14 0.00 2.34 0.00 0.00 41.12 39.94 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 -3.76 1.05 -4.57 -2.67 4.77 -1.26 -4.99 117.00 105.58 2k0r n LEU 52 Ca -0.12 -0.05 -0.40 0.00 -0.03 0.00 0.00 56.01 55.40 2k0r n LEU 52 Cb 0.60 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.71 2k0r n LEU 52 CO 0.50 0.65 0.45 -0.11 -1.33 0.00 0.00 177.39 177.55 2k0r n LEU 53 N -2.92 2.25 0.00 2.23 7.94 -1.26 -4.11 117.00 121.13 2k0r n LEU 53 Ca -0.37 0.94 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 2k0r n LEU 53 Cb 1.09 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.73 2k0r n LEU 53 CO 0.36 -1.91 0.00 0.61 -1.11 0.00 0.00 177.39 175.35 2k0r n GLY 54 N 1.35 -1.77 3.05 -3.96 0.00 -1.07 -4.81 105.19 97.98 2k0r n GLY 54 Ca 0.11 0.00 -0.09 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 0.51 0.56 1.61 0.00 -1.26 -5.04 119.66 116.03 2k0r s GLN 55 Ca 0.00 -0.96 -0.19 0.00 -0.00 0.00 0.00 55.36 54.21 2k0r s GLN 55 Cb 0.00 0.09 -0.05 0.00 0.00 0.00 0.00 33.01 33.05 2k0r s GLN 55 CO 0.00 -0.07 1.13 -1.25 0.00 0.00 0.00 175.29 175.10 2k0r s PRO 56 N -2.77 3.28 -0.46 9.60 0.04 -1.26 -4.24 135.00 139.18 2k0r s PRO 56 Ca -0.03 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.62 2k0r s PRO 56 Cb -0.01 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.68 2k0r s PRO 56 CO -0.05 -0.90 0.29 0.45 0.04 0.00 0.00 177.00 176.83 2k0r s SER 57 N -1.88 3.28 0.75 6.66 0.15 0.11 -4.94 113.70 117.82 2k0r s SER 57 Ca 0.72 -2.84 -0.14 0.00 0.70 0.00 0.00 55.95 54.39 2k0r s SER 57 Cb -0.23 -0.92 0.05 0.00 -1.71 0.00 0.00 66.02 63.21 2k0r s SER 57 CO 0.29 -0.23 1.17 -0.36 1.20 0.00 0.00 173.24 175.31 2k0r s PHE 58 N 0.12 2.15 -2.04 3.44 0.40 -1.26 -0.07 117.98 120.71 2k0r s PHE 58 Ca 0.22 1.62 0.31 0.00 -0.60 0.00 0.00 56.93 58.48 2k0r s PHE 58 Cb -0.15 -3.35 1.80 0.00 0.51 0.00 0.00 43.02 41.82 2k0r s PHE 58 CO -0.06 -2.37 2.16 0.45 0.70 0.00 0.00 175.22 176.10 2k0r n SER 59 N -2.96 0.14 -1.57 1.36 2.88 0.93 -4.86 113.62 109.54 2k0r n SER 59 Ca 0.12 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.60 2k0r n SER 59 Cb 0.51 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.88 -3.96 0.00 -1.46 3.00 -1.26 -5.00 118.16 108.59 2k0r n LYS 60 Ca 0.23 2.93 0.00 0.00 -0.00 0.00 0.00 58.31 61.47 2k0r n LYS 60 Cb 0.13 -3.03 0.00 0.00 0.00 0.00 0.00 35.03 32.13 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 1.17 2.69 3.62 3.14 0.00 -1.26 -5.06 105.19 109.48 2k0r n GLY 61 Ca 0.00 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 3.65 3.69 0.03 1.61 2.12 -0.05 -4.79 118.70 124.96 2k0r s GLU 62 Ca 0.00 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 2k0r s GLU 62 Cb 0.00 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 2k0r s GLU 62 CO 0.00 0.37 0.99 -1.21 -0.54 0.00 0.00 175.26 174.86 2k0r s GLU 63 N 0.07 4.59 0.04 4.30 2.02 -1.26 -1.19 118.70 127.27 2k0r s GLU 63 Ca 0.03 1.45 -0.08 0.00 0.02 0.00 0.00 54.97 56.39 2k0r s GLU 63 Cb -0.13 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.67 2k0r s GLU 63 CO 0.01 0.01 0.16 -1.59 0.02 0.00 0.00 175.26 173.88 2k0r s LYS 64 N 0.72 0.66 -0.09 1.61 0.00 -0.52 -4.97 119.74 117.15 2k0r s LYS 64 Ca 0.51 -0.68 0.01 0.00 0.00 0.00 0.00 55.97 55.81 2k0r s LYS 64 Cb -0.22 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.86 2k0r s LYS 64 CO 0.29 -0.19 -0.11 -1.21 0.00 0.00 0.00 175.35 174.13 2k0r s GLU 65 N -2.61 2.97 0.00 1.78 2.02 -1.25 -1.53 118.70 120.08 2k0r s GLU 65 Ca -0.05 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2k0r s GLU 65 Cb -0.01 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2k0r s GLU 65 CO -0.04 0.46 0.00 -3.47 0.02 0.00 0.00 175.26 172.23 2k0r n ASP 66 N 2.80 0.00 -0.10 -0.19 2.03 0.38 -4.93 116.55 116.55 2k0r n ASP 66 Ca -0.18 -0.90 0.05 0.00 0.52 0.00 0.00 54.79 54.29 2k0r n ASP 66 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 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 2.85 0.00 -0.67 0.28 -1.26 -2.49 120.64 119.35 2k0r n GLU 67 Ca 0.00 -0.25 0.15 0.00 -0.16 0.00 0.00 57.16 56.90 2k0r n GLU 67 Cb 0.00 -1.06 0.73 0.00 1.43 0.00 0.00 31.44 32.54 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 -0.87 0.00 0.00 -1.84 3.01 -1.26 -4.60 117.46 111.90 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 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.63 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 -0.58 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.10 2k0r n PHE 69 Ca 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.09 2k0r n PHE 69 Cb 0.23 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.23 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 0.26 3.32 4.97 0.00 -1.04 -4.92 105.19 107.40 2k0r n GLY 70 Ca 0.00 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 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 2.85 0.27 1.61 1.04 -1.26 -0.47 118.95 123.00 2k0r s ARG 71 Ca 0.00 -1.56 -0.12 0.00 -1.04 0.00 0.00 55.73 53.02 2k0r s ARG 71 Cb 0.00 -4.11 0.00 0.00 -2.04 0.00 0.00 34.95 28.80 2k0r s ARG 71 CO 0.00 -1.15 0.51 -0.65 -0.04 0.00 0.00 175.30 173.97 2k0r s GLN 72 N 1.55 1.67 0.16 3.89 -1.52 -0.58 -4.94 119.66 119.90 2k0r s GLN 72 Ca 0.04 -1.34 -0.25 0.00 -1.95 0.00 0.00 55.36 51.86 2k0r s GLN 72 Cb -0.26 0.49 -0.08 0.00 -0.22 0.00 0.00 33.01 32.93 2k0r s GLN 72 CO 0.04 -0.71 0.78 0.99 -0.25 0.00 0.00 175.29 176.14 2k0r s THR 73 N -3.72 4.38 0.27 -0.19 2.01 -1.26 -1.44 115.64 115.68 2k0r s THR 73 Ca 0.23 1.71 0.00 0.00 0.31 0.00 0.00 61.69 63.93 2k0r s THR 73 Cb -0.01 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.33 2k0r s THR 73 CO 0.11 0.52 0.28 0.68 -0.69 0.00 0.00 174.62 175.51 2k0r s VAL 74 N -1.09 0.00 -0.06 3.82 -7.23 -0.33 -0.09 120.40 115.42 2k0r s VAL 74 Ca 0.36 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.72 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 0.26 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.50 2k0r s TYR 75 N -3.72 2.45 -2.19 2.82 2.02 -0.37 -0.87 117.35 117.50 2k0r s TYR 75 Ca 0.36 -0.71 0.22 0.00 -0.37 0.00 0.00 57.07 56.57 2k0r s TYR 75 Cb 0.03 -1.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.03 2k0r s TYR 75 CO 0.18 -0.21 1.10 -2.39 -1.57 0.00 0.00 175.55 172.66 2k0r n HIS 76 N 2.95 0.00 0.01 2.71 1.44 -1.26 -2.46 115.22 118.61 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 0.31 -1.91 -2.80 -1.40 -0.00 -1.26 -4.20 115.22 103.96 2k0r n HIS 77 Ca 0.10 0.08 -0.41 0.00 -0.00 0.00 0.00 57.72 57.49 2k0r n HIS 77 Cb 0.48 0.53 -0.04 0.00 -0.00 0.00 0.00 29.99 30.96 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 4.57 -0.37 1.57 1.03 -1.26 0.08 118.70 122.32 2k0r s GLU 78 Ca 0.00 1.30 0.06 0.00 0.03 0.00 0.00 54.97 56.36 2k0r s GLU 78 Cb 0.00 -3.42 0.18 0.00 -0.80 0.00 0.00 34.13 30.08 2k0r s GLU 78 CO 0.00 0.09 0.54 0.00 -1.33 0.00 0.00 175.26 174.56 2k0r s ALA 79 N 0.54 -1.81 0.06 -0.84 0.00 -1.20 -4.74 121.76 113.77 2k0r s ALA 79 Ca 0.47 0.08 0.09 0.00 0.00 0.00 0.00 51.96 52.60 2k0r s ALA 79 Cb -0.21 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2k0r s ALA 79 CO 0.26 -2.09 -0.26 -1.14 0.00 0.00 0.00 175.76 172.54 2k0r s GLN 80 N 1.98 1.64 -0.01 0.00 0.74 -1.26 -1.25 119.66 121.51 2k0r s GLN 80 Ca 0.15 -1.14 0.01 0.00 0.05 0.00 0.00 55.36 54.43 2k0r s GLN 80 Cb -0.08 -1.88 0.00 0.00 1.10 0.00 0.00 33.01 32.14 2k0r s GLN 80 CO -0.12 0.48 -0.05 0.08 -0.55 0.00 0.00 175.29 175.13 2k0r s VAL 81 N -0.87 0.40 -0.15 1.34 1.01 0.27 -0.05 120.40 122.35 2k0r s VAL 81 Ca 0.11 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 2k0r s VAL 81 Cb -0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2k0r s VAL 81 CO 0.03 0.12 0.08 0.00 0.00 0.00 0.00 175.10 175.33 2k0r s ALA 82 N 0.03 3.54 -0.67 5.51 0.00 0.89 -1.53 121.76 129.54 2k0r s ALA 82 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2k0r s ALA 82 Cb -0.04 -1.88 0.16 0.00 0.00 0.00 0.00 23.12 21.37 2k0r s ALA 82 CO -0.00 0.37 0.45 -0.06 0.00 0.00 0.00 175.76 176.52 2k0r s PHE 83 N -0.23 3.49 0.09 0.00 0.08 0.16 0.04 117.98 121.61 2k0r s PHE 83 Ca 0.09 -3.24 -0.31 0.00 0.12 0.00 0.00 56.93 53.59 2k0r s PHE 83 Cb -0.12 -2.81 -0.07 0.00 -0.57 0.00 0.00 43.02 39.44 2k0r s PHE 83 CO 0.01 -0.63 1.38 -1.25 -0.10 0.00 0.00 175.22 174.63 2k0r s PRO 84 N -1.06 4.32 0.92 0.24 0.04 -1.26 -1.20 135.00 137.01 2k0r s PRO 84 Ca 0.22 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 2k0r s PRO 84 Cb -0.12 -3.33 0.15 0.00 0.04 0.00 0.00 34.50 31.24 2k0r s PRO 84 CO -0.11 -0.46 1.13 0.71 0.04 0.00 0.00 177.00 178.32 2k0r s TYR 85 N 1.41 1.67 0.00 0.56 2.02 -1.15 -2.59 117.35 119.28 2k0r s TYR 85 Ca 0.64 1.72 0.00 0.00 -0.37 0.00 0.00 57.07 59.06 2k0r s TYR 85 Cb -0.35 -3.30 0.00 0.00 -0.40 0.00 0.00 41.96 37.91 2k0r s TYR 85 CO 0.29 -2.83 0.70 0.00 -1.57 0.00 0.00 175.55 172.15 2k0r n ALA 86 N -4.24 1.63 -3.24 3.71 0.00 -1.26 -4.43 120.51 112.68 2k0r n ALA 86 Ca 0.11 -0.63 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 2k0r n ALA 86 Cb 0.52 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.90 -0.63 0.00 2.47 -1.26 -4.86 119.74 116.35 2k0r s LYS 87 Ca 0.00 -0.23 -0.36 0.00 -1.56 0.00 0.00 55.97 53.82 2k0r s LYS 87 Cb 0.00 0.40 -0.17 0.00 -1.46 0.00 0.00 37.83 36.60 2k0r s LYS 87 CO 0.00 -0.29 2.37 0.00 0.16 0.00 0.00 175.35 177.58 2k0r n ALA 88 N 0.72 0.48 -1.52 3.13 0.00 -1.26 -4.90 120.51 117.17 2k0r n ALA 88 Ca -0.19 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 2k0r n ALA 88 Cb 0.59 -2.35 0.20 0.00 0.00 0.00 0.00 19.45 17.88 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 7.87 1.84 0.00 0.00 -7.23 -1.26 -4.79 120.40 116.84 2k0r s VAL 89 Ca 1.21 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 2k0r s VAL 89 Cb -1.16 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2k0r s VAL 89 CO 0.53 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.93 2k0r n GLY 90 N -2.35 0.34 3.14 2.32 0.00 -1.26 -5.14 105.19 102.25 2k0r n GLY 90 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 2k0r n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k0r s GLU 91 N 0.00 0.78 0.53 1.61 -1.05 -1.26 -5.15 118.70 114.15 2k0r s GLU 91 Ca 0.00 -1.32 -0.20 0.00 -0.15 0.00 0.00 54.97 53.30 2k0r s GLU 91 Cb 0.00 0.04 -0.06 0.00 -0.44 0.00 0.00 34.13 33.67 2k0r s GLU 91 CO 0.00 -0.11 1.13 -1.25 0.95 0.00 0.00 175.26 175.99 2k0r s PRO 92 N -3.91 3.42 0.17 -4.83 0.04 -1.26 -4.98 135.00 123.65 2k0r s PRO 92 Ca 0.13 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.80 2k0r s PRO 92 Cb 0.07 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2k0r s PRO 92 CO -0.05 -0.80 0.07 1.52 0.04 0.00 0.00 177.00 177.78 2k0r s TYR 93 N -1.74 1.09 -0.00 0.56 1.13 -0.80 -4.53 117.35 113.05 2k0r s TYR 93 Ca 0.71 -1.23 0.02 0.00 -1.41 0.00 0.00 57.07 55.16 2k0r s TYR 93 Cb -0.25 -0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 39.99 2k0r s TYR 93 CO 0.28 -0.48 -0.03 0.21 -2.51 0.00 0.00 175.55 173.02 2k0r s LYS 94 N -4.05 2.69 -0.03 -3.49 2.36 -0.68 -1.61 119.74 114.92 2k0r s LYS 94 Ca 0.30 -0.65 0.07 0.00 -2.55 0.00 0.00 55.97 53.13 2k0r s LYS 94 Cb 0.07 -2.60 -0.02 0.00 -1.05 0.00 0.00 37.83 34.24 2k0r s LYS 94 CO 0.07 0.62 -0.23 -1.17 1.55 0.00 0.00 175.35 176.18 2k0r s LEU 95 N -1.45 2.04 -0.13 5.43 2.96 0.05 -0.57 118.68 127.01 2k0r s LEU 95 Ca 0.18 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2k0r s LEU 95 Cb -0.11 -1.22 0.04 0.00 0.50 0.00 0.00 46.19 45.40 2k0r s LEU 95 CO 0.08 0.27 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.66 2k0r s VAL 96 N -0.41 0.77 -0.04 1.68 1.01 0.98 0.09 120.40 124.48 2k0r s VAL 96 Ca 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2k0r s VAL 96 Cb -0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 2k0r s VAL 96 CO 0.00 0.17 -0.25 -0.76 0.00 0.00 0.00 175.10 174.27 2k0r s LEU 97 N 1.79 2.09 -0.10 3.92 1.43 0.48 -1.34 118.68 126.96 2k0r s LEU 97 Ca 0.03 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2k0r s LEU 97 Cb -0.14 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.73 2k0r s LEU 97 CO -0.07 0.27 -0.09 -0.89 0.23 0.00 0.00 176.35 175.80 2k0r s THR 98 N -0.34 1.07 -0.09 5.49 2.01 0.37 0.02 115.64 124.16 2k0r s THR 98 Ca 0.02 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2k0r s THR 98 Cb -0.12 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 2k0r s THR 98 CO 0.02 0.36 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.90 2k0r s TYR 99 N 1.31 2.85 -0.22 4.92 2.02 0.18 -0.26 117.35 128.14 2k0r s TYR 99 Ca -0.02 -0.25 -0.09 0.00 -0.37 0.00 0.00 57.07 56.33 2k0r s TYR 99 Cb -0.14 -1.76 0.09 0.00 -0.40 0.00 0.00 41.96 39.75 2k0r s TYR 99 CO -0.04 0.09 0.50 -1.14 -1.57 0.00 0.00 175.55 173.39 2k0r s GLN 100 N -0.31 0.44 0.00 -0.62 -0.44 -1.26 -0.07 119.66 117.40 2k0r s GLN 100 Ca 0.04 1.07 0.00 0.00 -2.50 0.00 0.00 55.36 53.96 2k0r s GLN 100 Cb -0.13 0.30 0.00 0.00 -1.64 0.00 0.00 33.01 31.54 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 4.93 2.86 3.28 2.59 0.00 -1.26 -3.01 105.19 114.57 2k0r n GLY 101 Ca -0.15 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 0.12 0.12 1.61 0.15 -0.24 -3.75 113.70 113.72 2k0r s SER 102 Ca 0.00 -0.99 -0.23 0.00 0.70 0.00 0.00 55.95 55.43 2k0r s SER 102 Cb 0.00 0.39 -0.07 0.00 -1.71 0.00 0.00 66.02 64.63 2k0r s SER 102 CO 0.00 -0.85 0.68 0.00 1.20 0.00 0.00 173.24 174.27 2k0r s ALA 103 N -4.00 3.51 0.65 5.45 0.00 0.95 -0.92 121.76 127.40 2k0r s ALA 103 Ca 0.20 0.21 0.38 0.00 0.00 0.00 0.00 51.96 52.75 2k0r s ALA 103 Cb 0.05 -2.81 2.09 0.00 0.00 0.00 0.00 23.12 22.44 2k0r s ALA 103 CO 0.01 0.34 2.21 0.93 0.00 0.00 0.00 175.76 179.26 2k0r h GLU 104 N 4.41 0.00 0.00 0.00 5.08 -1.26 0.88 114.58 123.69 2k0r h GLU 104 Ca -0.48 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.73 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2k0r h GLU 104 CO 0.65 0.00 -0.68 0.00 -1.00 0.00 0.00 179.01 177.98 2k0r h ALA 105 N 1.79 0.78 0.00 3.43 0.00 -1.89 -3.47 119.26 119.90 2k0r h ALA 105 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2k0r h ALA 105 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k0r h ALA 105 CO -0.00 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.51 2k0r n GLY 106 N 0.64 0.83 3.31 0.00 0.00 0.29 -5.15 105.19 105.12 2k0r n GLY 106 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.18 2.00 -0.22 1.61 1.01 -1.18 -4.94 120.40 117.51 2k0r s VAL 107 Ca 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.74 2k0r s VAL 107 Cb 0.00 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.72 2k0r s VAL 107 CO 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 175.10 175.35 2k0r s TYR 109 N 1.21 2.84 0.90 0.00 1.13 -1.25 -5.06 117.35 117.13 2k0r s TYR 109 Ca -0.02 -0.18 -0.12 0.00 -1.41 0.00 0.00 57.07 55.34 2k0r s TYR 109 Cb -0.17 -1.28 0.13 0.00 -1.10 0.00 0.00 41.96 39.55 2k0r s TYR 109 CO -0.09 0.58 1.09 -1.25 -2.51 0.00 0.00 175.55 173.38 2k0r s PRO 110 N -3.62 1.22 0.59 -3.49 0.04 -1.26 -4.57 135.00 123.91 2k0r s PRO 110 Ca 0.31 0.80 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 2k0r s PRO 110 Cb -0.07 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2k0r s PRO 110 CO 0.21 -2.26 1.12 -1.25 0.04 0.00 0.00 177.00 174.86 2k0r s PRO 111 N -4.94 3.15 -0.18 0.56 0.04 -1.26 -4.80 135.00 127.57 2k0r s PRO 111 Ca 0.63 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2k0r s PRO 111 Cb -0.18 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.42 2k0r s PRO 111 CO 0.57 -1.00 -0.09 0.08 0.04 0.00 0.00 177.00 176.60 2k0r s VAL 112 N -1.98 1.47 -0.15 -0.36 1.01 0.90 -4.98 120.40 116.32 2k0r s VAL 112 Ca 0.71 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 2k0r s VAL 112 Cb -0.23 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2k0r s VAL 112 CO 0.32 0.20 0.13 -0.62 0.00 0.00 0.00 175.10 175.13 2k0r s ASP 113 N 1.48 6.24 -0.07 3.32 2.15 -1.26 -0.65 116.67 127.87 2k0r s ASP 113 Ca 0.00 0.36 -0.03 0.00 0.43 0.00 0.00 52.55 53.31 2k0r s ASP 113 Cb -0.15 -2.04 0.04 0.00 -0.30 0.00 0.00 42.92 40.47 2k0r s ASP 113 CO -0.08 0.32 0.16 -0.89 -0.17 0.00 0.00 175.17 174.51 2k0r s THR 114 N -0.52 -0.12 -0.02 1.71 2.01 0.10 -5.00 115.64 113.81 2k0r s THR 114 Ca 0.12 0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 2k0r s THR 114 Cb -0.12 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 2k0r s THR 114 CO 0.02 0.10 0.05 -1.61 -0.69 0.00 0.00 174.62 172.49 2k0r s GLU 115 N 1.54 2.99 -0.08 4.92 8.01 -1.26 -0.39 118.70 134.43 2k0r s GLU 115 Ca -0.05 -0.50 0.01 0.00 0.01 0.00 0.00 54.97 54.44 2k0r s GLU 115 Cb -0.12 -2.81 0.02 0.00 -4.31 0.00 0.00 34.13 26.91 2k0r s GLU 115 CO -0.06 0.65 -0.09 -0.06 0.01 0.00 0.00 175.26 175.71 2k0r s PHE 116 N -1.12 1.37 -0.28 1.61 0.08 0.11 -4.97 117.98 114.78 2k0r s PHE 116 Ca 0.21 -0.56 -0.23 0.00 0.12 0.00 0.00 56.93 56.46 2k0r s PHE 116 Cb -0.12 -1.07 -0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2k0r s PHE 116 CO 0.11 -0.35 0.76 -0.51 -0.10 0.00 0.00 175.22 175.13 2k0r s ASP 117 N 1.09 6.68 -0.20 1.36 1.11 -1.26 -0.77 116.67 124.69 2k0r s ASP 117 Ca -0.07 0.76 -0.08 0.00 0.18 0.00 0.00 52.55 53.33 2k0r s ASP 117 Cb -0.14 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2k0r s ASP 117 CO -0.01 -0.53 0.09 -0.63 1.18 0.00 0.00 175.17 175.26 2k0r s ILE 118 N 2.82 4.99 0.00 0.77 -1.09 -0.63 -4.93 121.20 123.12 2k0r s ILE 118 Ca 0.31 0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.83 2k0r s ILE 118 Cb -0.15 -3.27 0.10 0.00 -1.58 0.00 0.00 42.46 37.56 2k0r s ILE 118 CO 0.10 0.44 0.98 2.22 -1.23 0.00 0.00 174.94 177.45 2k0r n PHE 119 N 3.68 0.00 -0.41 3.97 1.16 -1.26 -1.91 117.46 122.69 2k0r n PHE 119 Ca -0.16 -0.42 0.00 0.00 -1.87 0.00 0.00 57.45 55.00 2k0r n PHE 119 Cb 0.52 0.30 0.00 0.00 -1.61 0.00 0.00 39.48 38.69 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 0.11 -0.71 0.00 4.97 0.00 -1.26 -4.98 105.19 103.32 2k0r n GLY 120 Ca -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 2.85 -1.26 -5.07 115.26 113.39 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k0r n GLY 122 N -0.33 1.92 3.78 8.20 0.00 -1.26 -4.97 105.19 112.53 2k0r n GLY 122 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 5.23 0.10 2.61 2.01 -1.26 -0.09 115.64 124.24 2k0r s THR 123 Ca 0.00 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2k0r s THR 123 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2k0r s THR 123 CO 0.00 0.54 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.07 2k0r s TYR 124 N -0.42 1.00 0.03 4.92 1.51 -1.21 -4.97 117.35 118.21 2k0r s TYR 124 Ca 0.11 -0.71 -0.08 0.00 -1.01 0.00 0.00 57.07 55.38 2k0r s TYR 124 Cb -0.12 -0.55 -0.00 0.00 -0.11 0.00 0.00 41.96 41.18 2k0r s TYR 124 CO 0.02 -0.04 0.15 -1.01 -1.11 0.00 0.00 175.55 173.56 2k0r s HIS 125 N -2.70 0.09 0.58 2.71 3.76 -1.26 -2.74 115.29 115.72 2k0r s HIS 125 Ca 0.06 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.50 2k0r s HIS 125 Cb -0.01 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.57 2k0r s HIS 125 CO -0.01 -0.37 1.12 -1.25 -0.85 0.00 0.00 174.74 173.39 2k0r s PRO 126 N -2.20 3.20 -0.61 8.40 0.04 -1.26 -4.95 135.00 137.62 2k0r s PRO 126 Ca -0.08 1.55 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 2k0r s PRO 126 Cb -0.03 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.73 2k0r s PRO 126 CO -0.02 -0.96 2.37 1.04 0.04 0.00 0.00 177.00 179.47 2k0r n GLN 127 N -1.61 2.51 0.00 4.56 6.02 -1.26 -5.21 117.38 122.39 2k0r n GLN 127 Ca 0.11 -2.82 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 2k0r n GLN 127 Cb 0.51 -2.16 0.00 0.00 1.02 0.00 0.00 30.24 29.61 2k0r n GLN 127 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68