#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 -2.75 -1.27 3.04 0.00 -1.26 -4.89 120.51 113.38 2k0r n ALA 2 Ca 0.00 0.87 -0.28 0.00 0.00 0.00 0.00 53.44 54.03 2k0r n ALA 2 Cb 0.00 -3.22 0.15 0.00 0.00 0.00 0.00 19.45 16.37 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 -0.27 7.04 -3.24 0.00 4.32 -1.26 -4.88 117.00 118.71 2k0r n LEU 3 Ca 0.04 -3.85 -0.16 0.00 -0.02 0.00 0.00 56.01 52.03 2k0r n LEU 3 Cb 0.54 -0.88 0.08 0.00 -1.62 0.00 0.00 43.42 41.54 2k0r n LEU 3 CO 0.51 1.20 0.10 -0.67 -1.22 0.00 0.00 177.39 177.31 2k0r n ASP 4 N -1.07 -2.12 -3.65 -1.43 2.03 -1.26 -4.92 116.55 104.14 2k0r n ASP 4 Ca 0.61 -0.57 -0.00 0.00 0.52 0.00 0.00 54.79 55.34 2k0r n ASP 4 Cb 1.32 -4.78 -0.00 0.00 -0.72 0.00 0.00 41.12 36.94 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0r s ALA 5 N -3.33 -2.01 0.00 -1.67 0.00 -1.26 -2.28 121.76 111.21 2k0r s ALA 5 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2k0r s ALA 5 Cb -0.00 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2k0r s ALA 5 CO 0.67 -1.07 0.00 -1.71 0.00 0.00 0.00 175.76 173.66 2k0r n ASN 6 N -0.66 -3.92 0.00 0.00 2.85 -1.26 -2.50 115.26 109.77 2k0r n ASN 6 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2k0r n ASN 6 Cb 0.61 -2.06 0.00 0.00 1.24 0.00 0.00 39.78 39.57 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 -0.47 -2.27 -0.01 1.20 5.75 -1.26 -4.82 116.55 114.68 2k0r n ASP 7 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 54.79 55.00 2k0r n ASP 7 Cb 0.24 -1.92 0.72 0.00 -1.03 0.00 0.00 41.12 39.13 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 0.00 0.00 -9.69 -2.12 3.38 -1.87 -3.41 115.31 101.60 2k0r h LEU 8 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2k0r h LEU 8 Cb 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 2k0r h LEU 8 CO 0.00 0.00 -0.60 -1.48 0.09 0.00 0.00 178.44 176.45 2k0r s LEU 9 N -8.13 3.47 1.02 1.67 -0.00 -1.26 -5.01 118.68 110.44 2k0r s LEU 9 Ca -0.05 -0.45 -0.13 0.00 -0.00 0.00 0.00 54.13 53.51 2k0r s LEU 9 Cb 0.18 -2.01 0.20 0.00 -0.00 0.00 0.00 46.19 44.57 2k0r s LEU 9 CO 0.66 -0.00 1.09 -2.16 -0.00 0.00 0.00 176.35 175.94 2k0r s PRO 10 N -3.64 0.26 0.00 1.48 0.04 -1.26 -4.79 135.00 127.08 2k0r s PRO 10 Ca 0.32 0.47 0.14 0.00 0.04 0.00 0.00 61.00 61.97 2k0r s PRO 10 Cb -0.07 -1.72 0.68 0.00 0.04 0.00 0.00 34.50 33.43 2k0r s PRO 10 CO 0.22 -2.84 1.43 -0.35 0.04 0.00 0.00 177.00 175.50 2k0r n PRO 11 N -4.24 0.12 0.01 0.56 -0.04 -1.26 -1.47 135.00 128.68 2k0r n PRO 11 Ca 0.05 0.19 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 2k0r n PRO 11 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.45 0.00 0.54 4.39 -1.91 -3.27 114.58 114.79 2k0r h GLU 12 Ca 0.00 -0.48 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2k0r h GLU 12 Cb 0.18 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2k0r h GLU 12 CO 0.00 1.13 -1.33 1.17 -1.16 0.00 0.00 179.01 178.81 2k0r n LYS 13 N -4.18 0.35 0.19 2.33 0.00 -1.14 -4.18 118.16 111.54 2k0r n LYS 13 Ca -0.10 -0.06 0.04 0.00 0.00 0.00 0.00 58.31 58.18 2k0r n LYS 13 Cb 0.69 -1.55 0.40 0.00 0.00 0.00 0.00 35.03 34.56 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 2.46 1.36 -3.47 3.14 0.00 -1.36 -3.42 119.26 117.96 2k0r h ALA 14 Ca 0.00 -0.31 -0.66 0.00 0.00 0.00 0.00 54.91 53.94 2k0r h ALA 14 Cb 0.77 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.26 2k0r h ALA 14 CO 0.00 0.43 -0.73 -0.06 0.00 0.00 0.00 179.25 178.88 2k0r s PHE 15 N -4.16 2.86 -0.61 0.00 0.08 -1.23 0.16 117.98 115.07 2k0r s PHE 15 Ca -0.03 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.67 2k0r s PHE 15 Cb 0.14 -1.82 0.16 0.00 -0.57 0.00 0.00 43.02 40.93 2k0r s PHE 15 CO 0.71 -0.04 0.41 0.08 -0.10 0.00 0.00 175.22 176.29 2k0r s VAL 16 N 0.03 2.34 0.34 -0.44 1.01 0.64 -4.90 120.40 119.42 2k0r s VAL 16 Ca -0.03 -3.74 -0.28 0.00 0.00 0.00 0.00 61.98 57.93 2k0r s VAL 16 Cb -0.14 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 2k0r s VAL 16 CO 0.04 -1.00 1.21 -2.16 0.00 0.00 0.00 175.10 173.19 2k0r s PRO 17 N -0.90 4.35 -0.04 2.72 0.04 -1.26 -1.62 135.00 138.28 2k0r s PRO 17 Ca 0.24 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 2k0r s PRO 17 Cb -0.08 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.49 2k0r s PRO 17 CO -0.13 -0.12 0.09 -2.00 0.04 0.00 0.00 177.00 174.88 2k0r s GLU 18 N -1.84 0.02 0.02 4.56 2.12 0.14 -4.90 118.70 118.82 2k0r s GLU 18 Ca 0.50 0.29 -0.00 0.00 0.36 0.00 0.00 54.97 56.12 2k0r s GLU 18 Cb -0.35 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.77 2k0r s GLU 18 CO 0.46 -0.18 0.12 -1.17 -0.54 0.00 0.00 175.26 173.95 2k0r s LEU 19 N 1.19 4.03 -0.27 2.70 1.98 -1.08 -0.81 118.68 126.44 2k0r s LEU 19 Ca -0.08 0.18 -0.01 0.00 -2.89 0.00 0.00 54.13 51.33 2k0r s LEU 19 Cb -0.12 -2.46 0.14 0.00 0.66 0.00 0.00 46.19 44.41 2k0r s LEU 19 CO -0.04 0.24 0.37 0.00 -1.89 0.00 0.00 176.35 175.03 2k0r s ALA 20 N -1.29 -1.01 0.21 5.97 0.00 0.85 -3.24 121.76 123.24 2k0r s ALA 20 Ca 0.26 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.36 2k0r s ALA 20 Cb -0.12 -1.84 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 2k0r s ALA 20 CO 0.18 -1.52 1.03 0.08 0.00 0.00 0.00 175.76 175.54 2k0r s VAL 21 N 2.51 3.94 0.37 0.00 1.01 -0.22 -0.56 120.40 127.45 2k0r s VAL 21 Ca 0.11 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.89 2k0r s VAL 21 Cb -0.14 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 2k0r s VAL 21 CO -0.24 0.36 0.05 0.00 0.00 0.00 0.00 175.10 175.27 2k0r n ALA 22 N 1.95 0.39 0.29 5.51 0.00 0.96 -4.78 120.51 124.82 2k0r n ALA 22 Ca 0.01 -1.76 0.12 0.00 0.00 0.00 0.00 53.44 51.81 2k0r n ALA 22 Cb 0.47 1.05 0.05 0.00 0.00 0.00 0.00 19.45 21.02 2k0r n ALA 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k0r h ASP 23 N 1.11 0.00 -0.17 0.00 3.58 -2.02 -3.33 116.42 115.59 2k0r h ASP 23 Ca -0.30 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2k0r h ASP 23 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 2k0r h ASP 23 CO 0.50 0.05 0.00 0.47 -2.88 0.00 0.00 179.24 177.37 2k0r n ASP 24 N -2.45 2.86 0.00 2.28 9.92 -1.26 -5.03 116.55 122.87 2k0r n ASP 24 Ca 0.01 -2.53 0.00 0.00 -0.53 0.00 0.00 54.79 51.74 2k0r n ASP 24 Cb 0.51 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k0r n GLY 25 N -0.43 0.48 3.37 0.44 0.00 -1.25 -3.30 105.19 104.50 2k0r n GLY 25 Ca 0.13 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 2.59 -0.09 1.61 1.01 -0.33 -0.03 120.40 123.22 2k0r s VAL 26 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.13 2k0r s VAL 26 Cb 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2k0r s VAL 26 CO 0.00 0.57 -0.22 0.20 0.00 0.00 0.00 175.10 175.65 2k0r s ASN 27 N -0.40 3.30 -0.05 3.32 -0.87 0.27 0.25 114.94 120.76 2k0r s ASN 27 Ca 0.04 -0.48 0.02 0.00 -1.57 0.00 0.00 52.86 50.86 2k0r s ASN 27 Cb -0.12 -1.23 0.02 0.00 -0.02 0.00 0.00 41.25 39.90 2k0r s ASN 27 CO 0.02 0.20 -0.09 0.54 -2.57 0.00 0.00 177.10 175.20 2k0r s VAL 28 N 0.12 0.85 -0.05 1.60 0.11 -0.70 -0.11 120.40 122.22 2k0r s VAL 28 Ca -0.11 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.66 2k0r s VAL 28 Cb -0.16 -0.81 0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2k0r s VAL 28 CO 0.06 0.29 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.39 2k0r s ARG 29 N 0.78 1.60 -0.14 1.54 3.00 0.01 -0.05 118.95 125.69 2k0r s ARG 29 Ca -0.13 -0.46 0.01 0.00 -1.00 0.00 0.00 55.73 54.15 2k0r s ARG 29 Cb -0.15 -1.36 0.02 0.00 0.00 0.00 0.00 34.95 33.45 2k0r s ARG 29 CO 0.02 0.11 -0.16 -0.59 0.00 0.00 0.00 175.30 174.68 2k0r s PHE 30 N 0.39 2.26 -0.33 5.12 -0.71 0.54 0.26 117.98 125.51 2k0r s PHE 30 Ca -0.09 -1.23 -0.23 0.00 -1.04 0.00 0.00 56.93 54.34 2k0r s PHE 30 Cb -0.13 -1.62 0.00 0.00 -1.21 0.00 0.00 43.02 40.06 2k0r s PHE 30 CO 0.03 -0.64 0.79 1.03 -1.34 0.00 0.00 175.22 175.09 2k0r s ARG 31 N 1.28 3.90 0.04 1.99 0.52 -0.64 -3.09 118.95 122.96 2k0r s ARG 31 Ca 0.01 0.51 -0.05 0.00 -0.52 0.00 0.00 55.73 55.68 2k0r s ARG 31 Cb -0.14 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.53 2k0r s ARG 31 CO -0.08 -0.74 0.28 0.42 0.02 0.00 0.00 175.30 175.20 2k0r s ILE 32 N 3.02 5.28 0.58 1.52 1.01 0.10 -0.26 121.20 132.45 2k0r s ILE 32 Ca 0.32 0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.84 2k0r s ILE 32 Cb -0.14 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2k0r s ILE 32 CO 0.14 0.27 1.27 0.00 0.00 0.00 0.00 174.94 176.62 2k0r s ALA 33 N -1.40 2.63 -0.28 9.38 0.00 0.12 -4.20 121.76 128.01 2k0r s ALA 33 Ca 0.31 1.14 0.23 0.00 0.00 0.00 0.00 51.96 53.64 2k0r s ALA 33 Cb -0.13 -3.50 1.13 0.00 0.00 0.00 0.00 23.12 20.62 2k0r s ALA 33 CO 0.19 -1.27 1.69 -0.25 0.00 0.00 0.00 175.76 176.13 2k0r n ASP 34 N -1.39 0.62 -1.00 0.00 9.92 -0.96 -1.04 116.55 122.69 2k0r n ASP 34 Ca 0.13 0.74 0.11 0.00 -0.53 0.00 0.00 54.79 55.24 2k0r n ASP 34 Cb 0.48 -0.84 0.26 0.00 -0.64 0.00 0.00 41.12 40.38 2k0r n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k0r n GLY 35 N -0.84 1.37 3.35 0.44 0.00 -1.26 -4.58 105.19 103.67 2k0r n GLY 35 Ca -0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.55 1.64 -0.21 1.61 2.02 -0.21 -0.81 117.35 119.85 2k0r s TYR 36 Ca 0.37 -0.87 -0.15 0.00 -0.37 0.00 0.00 57.07 56.05 2k0r s TYR 36 Cb 0.21 -0.95 0.06 0.00 -0.40 0.00 0.00 41.96 40.89 2k0r s TYR 36 CO 0.30 0.03 0.53 1.52 -1.57 0.00 0.00 175.55 176.36 2k0r s TYR 37 N -3.33 -0.70 0.03 2.71 -0.85 0.73 -4.65 117.35 111.29 2k0r s TYR 37 Ca 0.28 1.55 0.07 0.00 -0.52 0.00 0.00 57.07 58.45 2k0r s TYR 37 Cb 0.05 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 2k0r s TYR 37 CO 0.09 -0.36 -0.18 -1.64 -1.52 0.00 0.00 175.55 171.94 2k0r s MET 38 N 0.97 2.11 -0.08 -3.49 -1.94 -1.09 -0.17 119.30 115.60 2k0r s MET 38 Ca -0.05 -0.96 -0.25 0.00 -1.71 0.00 0.00 55.69 52.72 2k0r s MET 38 Cb -0.06 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 2k0r s MET 38 CO -0.09 0.55 0.77 0.71 -0.01 0.00 0.00 175.02 176.95 2k0r s TYR 39 N -0.90 3.55 0.22 -0.03 2.02 -1.20 -0.77 117.35 120.23 2k0r s TYR 39 Ca 0.14 1.30 -0.10 0.00 -0.37 0.00 0.00 57.07 58.05 2k0r s TYR 39 Cb -0.10 -2.90 0.32 0.00 -0.40 0.00 0.00 41.96 38.88 2k0r s TYR 39 CO 0.05 -0.01 1.67 0.37 -1.57 0.00 0.00 175.55 176.06 2k0r h GLN 40 N 6.92 0.15 -0.20 -0.62 4.15 -0.90 0.32 115.11 124.94 2k0r h GLN 40 Ca -0.38 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.03 2k0r h GLN 40 Cb 1.18 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 2k0r h GLN 40 CO 0.77 0.10 0.11 0.00 -1.93 0.00 0.00 178.83 177.89 2k0r h ALA 41 N 1.56 1.82 -0.02 3.38 0.00 -1.93 -2.12 119.26 121.94 2k0r h ALA 41 Ca 0.34 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 2k0r h ALA 41 Cb 0.55 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2k0r h ALA 41 CO -0.51 0.16 -0.94 0.87 0.00 0.00 0.00 179.25 178.83 2k0r h LYS 42 N 0.28 0.52 -6.54 0.00 6.56 -0.79 -3.44 116.57 113.15 2k0r h LYS 42 Ca 0.07 -0.53 -0.53 0.00 -1.06 0.00 0.00 60.65 58.60 2k0r h LYS 42 Cb 0.01 0.14 0.03 0.00 -0.57 0.00 0.00 32.23 31.84 2k0r h LYS 42 CO -0.01 1.16 0.82 0.42 -2.06 0.00 0.00 179.45 179.78 2k0r s ILE 43 N -3.35 3.07 0.13 1.86 1.01 0.21 -4.52 121.20 119.60 2k0r s ILE 43 Ca -0.07 0.73 0.08 0.00 0.00 0.00 0.00 60.65 61.39 2k0r s ILE 43 Cb 0.08 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2k0r s ILE 43 CO 0.88 0.05 -0.19 -0.69 0.00 0.00 0.00 174.94 174.99 2k0r s VAL 44 N 1.38 1.72 -0.30 2.92 1.01 0.81 -4.94 120.40 123.00 2k0r s VAL 44 Ca 0.67 -1.72 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 2k0r s VAL 44 Cb -0.39 -1.67 0.17 0.00 0.00 0.00 0.00 36.38 34.49 2k0r s VAL 44 CO 0.30 -0.20 0.99 -0.83 0.00 0.00 0.00 175.10 175.36 2k0r s GLY 45 N -2.28 -0.32 -0.00 4.51 0.00 -1.24 -0.84 107.32 107.13 2k0r s GLY 45 Ca 0.10 2.83 -0.00 0.00 0.00 0.00 0.00 44.72 47.65 2k0r s GLY 45 CO 0.05 3.52 0.01 1.25 0.00 0.00 0.00 173.10 177.92 2k0r s LYS 46 N 2.70 -0.01 -0.04 2.90 2.20 -0.33 -4.83 119.74 122.34 2k0r s LYS 46 Ca 0.01 0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2k0r s LYS 46 Cb -0.09 -0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.22 2k0r s LYS 46 CO -0.15 -0.03 0.02 -0.08 -0.36 0.00 0.00 175.35 174.75 2k0r s THR 47 N 0.20 0.10 0.00 3.43 -1.32 -1.26 0.02 115.64 116.81 2k0r s THR 47 Ca -0.02 0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 2k0r s THR 47 Cb -0.02 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 2k0r s THR 47 CO -0.01 0.16 0.00 -0.46 -2.21 0.00 0.00 174.62 172.11 2k0r n ASN 48 N 4.58 0.00 0.03 8.08 6.94 0.19 -4.46 115.26 130.62 2k0r n ASN 48 Ca -0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.32 2k0r n ASN 48 Cb 0.50 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.05 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 0.45 0.00 -0.53 0.13 -1.83 -1.69 132.00 128.52 2k0r h PRO 49 Ca 0.00 -0.24 -0.14 0.00 -0.87 0.00 0.00 66.00 64.75 2k0r h PRO 49 Cb 0.00 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.01 2k0r h PRO 49 CO 0.00 0.80 -0.22 0.00 -0.23 0.00 0.00 178.00 178.36 2k0r n ALA 50 N -2.49 -2.49 -3.72 -0.56 0.00 -1.26 -4.75 120.51 105.23 2k0r n ALA 50 Ca -0.02 -0.81 -0.23 0.00 0.00 0.00 0.00 53.44 52.38 2k0r n ALA 50 Cb 0.53 -2.36 0.04 0.00 0.00 0.00 0.00 19.45 17.65 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 1.30 -2.24 -0.11 0.00 -0.08 -1.26 -4.90 116.55 109.25 2k0r n ASP 51 Ca 0.03 -0.78 -0.13 0.00 -1.51 0.00 0.00 54.79 52.40 2k0r n ASP 51 Cb 0.69 -4.16 -0.14 0.00 2.34 0.00 0.00 41.12 39.85 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 -4.38 1.27 -4.53 -2.67 4.77 -1.26 -4.99 117.00 105.21 2k0r n LEU 52 Ca -0.21 -0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.33 2k0r n LEU 52 Cb 0.64 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 2k0r n LEU 52 CO 0.69 0.67 0.26 -0.11 -1.33 0.00 0.00 177.39 177.57 2k0r n LEU 53 N -2.94 1.94 0.00 2.23 7.94 -1.26 -4.05 117.00 120.86 2k0r n LEU 53 Ca -0.37 0.77 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2k0r n LEU 53 Cb 1.07 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.76 2k0r n LEU 53 CO 0.34 -2.55 0.00 0.61 -1.11 0.00 0.00 177.39 174.68 2k0r n GLY 54 N 1.58 -0.33 3.02 -3.96 0.00 -1.09 -4.78 105.19 99.63 2k0r n GLY 54 Ca 0.12 0.00 -0.09 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 0.41 0.61 1.61 -2.07 -1.26 -5.04 119.66 113.92 2k0r s GLN 55 Ca 0.00 -0.80 -0.17 0.00 -1.82 0.00 0.00 55.36 52.57 2k0r s GLN 55 Cb 0.00 0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 32.02 2k0r s GLN 55 CO 0.00 -0.06 1.12 -1.25 -1.32 0.00 0.00 175.29 173.78 2k0r s PRO 56 N -2.20 3.03 -0.49 9.60 0.04 -1.26 -4.20 135.00 139.52 2k0r s PRO 56 Ca -0.09 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.48 2k0r s PRO 56 Cb -0.05 -1.97 0.18 0.00 0.04 0.00 0.00 34.50 32.70 2k0r s PRO 56 CO -0.04 -1.08 0.41 0.45 0.04 0.00 0.00 177.00 176.78 2k0r n SER 57 N -1.95 0.56 -4.77 6.66 2.88 0.12 -4.94 113.62 112.18 2k0r n SER 57 Ca 0.11 -2.64 -0.39 0.00 -1.33 0.00 0.00 58.87 54.61 2k0r n SER 57 Cb 0.52 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.30 2k0r n SER 57 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2k0r s PHE 58 N -0.52 3.91 1.17 0.66 -0.12 -1.26 -0.02 117.98 121.80 2k0r s PHE 58 Ca 0.32 1.67 -0.17 0.00 -0.05 0.00 0.00 56.93 58.69 2k0r s PHE 58 Cb 0.04 -2.80 0.21 0.00 -0.63 0.00 0.00 43.02 39.84 2k0r s PHE 58 CO -0.18 0.50 0.42 0.43 -0.05 0.00 0.00 175.22 176.34 2k0r n SER 59 N 1.62 -2.93 -4.24 1.98 7.64 -0.63 -4.93 113.62 112.14 2k0r n SER 59 Ca -0.05 -0.39 -0.43 0.00 1.01 0.00 0.00 58.87 59.01 2k0r n SER 59 Cb 0.48 -0.93 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 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 -3.91 3.22 0.00 1.43 -0.14 -1.26 -5.01 119.74 114.06 2k0r s LYS 60 Ca 0.53 -2.53 0.00 0.00 -1.36 0.00 0.00 55.97 52.61 2k0r s LYS 60 Cb -0.11 -4.16 0.00 0.00 -1.68 0.00 0.00 37.83 31.88 2k0r s LYS 60 CO 0.53 -1.25 0.00 0.41 -0.76 0.00 0.00 175.35 174.28 2k0r n GLY 61 N 3.72 -2.14 3.62 -3.33 0.00 -1.26 -4.99 105.19 100.81 2k0r n GLY 61 Ca 0.12 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 3.95 -0.00 1.61 8.01 0.60 -4.78 118.70 128.08 2k0r s GLU 62 Ca 0.00 -0.36 -0.30 0.00 0.01 0.00 0.00 54.97 54.33 2k0r s GLU 62 Cb 0.00 -3.23 -0.03 0.00 -4.31 0.00 0.00 34.13 26.56 2k0r s GLU 62 CO 0.00 0.23 0.97 -2.00 0.01 0.00 0.00 175.26 174.47 2k0r s GLU 63 N 0.49 4.55 0.04 1.61 -6.30 -1.26 -1.02 118.70 116.82 2k0r s GLU 63 Ca 0.03 1.41 -0.08 0.00 -2.50 0.00 0.00 54.97 53.83 2k0r s GLU 63 Cb -0.13 -3.46 -0.00 0.00 0.00 0.00 0.00 34.13 30.54 2k0r s GLU 63 CO 0.01 -0.05 0.17 -1.59 0.02 0.00 0.00 175.26 173.81 2k0r s LYS 64 N 1.02 0.65 -0.11 4.30 0.00 -0.56 -4.97 119.74 120.07 2k0r s LYS 64 Ca 0.52 -0.65 0.00 0.00 0.00 0.00 0.00 55.97 55.84 2k0r s LYS 64 Cb -0.21 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.87 2k0r s LYS 64 CO 0.28 -0.18 -0.12 -1.21 0.00 0.00 0.00 175.35 174.12 2k0r s GLU 65 N -2.51 3.18 0.00 1.78 8.01 -1.26 -1.46 118.70 126.44 2k0r s GLU 65 Ca -0.06 -0.66 0.00 0.00 0.01 0.00 0.00 54.97 54.27 2k0r s GLU 65 Cb -0.01 -2.61 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 2k0r s GLU 65 CO -0.04 0.34 0.00 -3.47 0.01 0.00 0.00 175.26 172.11 2k0r n ASP 66 N 3.15 0.00 -0.19 -0.19 -0.08 -0.34 -4.91 116.55 114.00 2k0r n ASP 66 Ca -0.18 -0.87 0.06 0.00 -1.51 0.00 0.00 54.79 52.29 2k0r n ASP 66 Cb 0.53 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.96 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 2.30 0.00 -0.67 0.28 -1.26 -2.45 120.64 118.84 2k0r n GLU 67 Ca 0.00 -0.46 0.14 0.00 -0.16 0.00 0.00 57.16 56.68 2k0r n GLU 67 Cb 0.00 -1.13 0.63 0.00 1.43 0.00 0.00 31.44 32.37 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 -0.55 0.00 0.00 -1.84 3.01 -1.26 -4.64 117.46 112.18 2k0r n PHE 68 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 2k0r n PHE 68 Cb 0.24 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 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 -0.29 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.38 2k0r n PHE 69 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 2k0r n PHE 69 Cb 0.29 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.29 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 -0.40 0.22 3.40 4.97 0.00 -1.02 -4.91 105.19 107.45 2k0r n GLY 70 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 2k0r n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k0r s ARG 71 N 0.00 3.07 0.26 1.61 3.03 -1.26 -1.20 118.95 124.46 2k0r s ARG 71 Ca 0.00 -1.17 -0.13 0.00 2.03 0.00 0.00 55.73 56.47 2k0r s ARG 71 Cb 0.00 -4.19 -0.00 0.00 -1.03 0.00 0.00 34.95 29.73 2k0r s ARG 71 CO 0.00 -1.37 0.50 -0.65 -1.13 0.00 0.00 175.30 172.65 2k0r s GLN 72 N 2.55 1.60 0.20 3.89 1.11 -0.54 -4.94 119.66 123.52 2k0r s GLN 72 Ca 0.12 -1.28 -0.27 0.00 0.01 0.00 0.00 55.36 53.94 2k0r s GLN 72 Cb -0.22 0.48 -0.08 0.00 -1.01 0.00 0.00 33.01 32.17 2k0r s GLN 72 CO 0.08 -0.67 0.84 0.99 0.01 0.00 0.00 175.29 176.54 2k0r s THR 73 N -3.91 4.26 0.26 -0.19 2.01 -1.26 -1.50 115.64 115.31 2k0r s THR 73 Ca 0.22 1.84 0.02 0.00 0.31 0.00 0.00 61.69 64.08 2k0r s THR 73 Cb -0.01 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2k0r s THR 73 CO 0.10 0.50 0.23 0.68 -0.69 0.00 0.00 174.62 175.43 2k0r s VAL 74 N -1.18 0.00 0.03 3.82 -7.23 -0.18 -0.18 120.40 115.47 2k0r s VAL 74 Ca 0.38 -1.94 0.09 0.00 -1.81 0.00 0.00 61.98 58.70 2k0r s VAL 74 Cb -0.24 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 2k0r s VAL 74 CO 0.28 0.00 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.50 2k0r s TYR 75 N -3.79 2.34 -1.02 2.82 2.02 0.05 -0.29 117.35 119.49 2k0r s TYR 75 Ca 0.38 -0.41 0.13 0.00 -0.37 0.00 0.00 57.07 56.80 2k0r s TYR 75 Cb 0.04 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 2k0r s TYR 75 CO 0.19 0.11 0.68 -2.39 -1.57 0.00 0.00 175.55 172.56 2k0r n HIS 76 N 1.87 0.00 0.05 2.71 1.44 -1.26 -2.66 115.22 117.38 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 -0.48 -2.43 -2.97 -1.40 -0.00 -1.26 -4.22 115.22 102.47 2k0r n HIS 77 Ca 0.05 0.35 -0.40 0.00 -0.00 0.00 0.00 57.72 57.71 2k0r n HIS 77 Cb 0.25 1.15 -0.05 0.00 -0.00 0.00 0.00 29.99 31.33 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 4.52 -0.36 1.57 -1.05 -1.26 0.01 118.70 120.13 2k0r s GLU 78 Ca 0.00 1.11 0.07 0.00 -0.15 0.00 0.00 54.97 56.00 2k0r s GLU 78 Cb 0.00 -3.35 0.19 0.00 -0.44 0.00 0.00 34.13 30.53 2k0r s GLU 78 CO 0.00 0.33 0.63 0.00 0.95 0.00 0.00 175.26 177.17 2k0r s ALA 79 N -0.25 -2.44 0.07 -0.84 0.00 -1.18 -4.75 121.76 112.38 2k0r s ALA 79 Ca 0.39 0.56 0.08 0.00 0.00 0.00 0.00 51.96 52.98 2k0r s ALA 79 Cb -0.21 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2k0r s ALA 79 CO 0.24 -2.08 -0.22 -1.14 0.00 0.00 0.00 175.76 172.56 2k0r s GLN 80 N 2.22 1.37 -0.00 0.00 0.74 -1.26 -0.34 119.66 122.40 2k0r s GLN 80 Ca 0.14 -1.08 0.04 0.00 0.05 0.00 0.00 55.36 54.51 2k0r s GLN 80 Cb -0.06 -1.59 -0.01 0.00 1.10 0.00 0.00 33.01 32.45 2k0r s GLN 80 CO -0.14 0.39 -0.12 0.08 -0.55 0.00 0.00 175.29 174.95 2k0r s VAL 81 N -0.93 0.94 -0.16 1.34 1.01 0.92 -1.60 120.40 121.92 2k0r s VAL 81 Ca 0.09 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2k0r s VAL 81 Cb -0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2k0r s VAL 81 CO 0.03 0.22 0.03 0.00 0.00 0.00 0.00 175.10 175.38 2k0r s ALA 82 N -0.36 3.29 -0.73 5.51 0.00 0.97 -1.72 121.76 128.72 2k0r s ALA 82 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2k0r s ALA 82 Cb -0.05 -1.76 0.18 0.00 0.00 0.00 0.00 23.12 21.49 2k0r s ALA 82 CO -0.00 0.25 0.55 -0.06 0.00 0.00 0.00 175.76 176.50 2k0r s PHE 83 N 0.18 3.60 0.11 0.00 0.08 0.14 0.13 117.98 122.21 2k0r s PHE 83 Ca 0.02 -3.11 -0.31 0.00 0.12 0.00 0.00 56.93 53.65 2k0r s PHE 83 Cb -0.13 -2.99 -0.08 0.00 -0.57 0.00 0.00 43.02 39.26 2k0r s PHE 83 CO 0.01 -0.68 1.36 -1.25 -0.10 0.00 0.00 175.22 174.56 2k0r s PRO 84 N -1.04 4.34 0.87 0.24 0.04 -1.26 -1.19 135.00 136.99 2k0r s PRO 84 Ca 0.23 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 84 Cb -0.11 -3.26 0.12 0.00 0.04 0.00 0.00 34.50 31.29 2k0r s PRO 84 CO -0.11 -0.41 1.13 0.71 0.04 0.00 0.00 177.00 178.36 2k0r s TYR 85 N 1.09 1.90 0.00 0.56 2.02 -1.21 -2.66 117.35 119.05 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 -0.36 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 37.93 2k0r s TYR 85 CO 0.30 -2.52 0.30 0.00 -1.57 0.00 0.00 175.55 172.06 2k0r n ALA 86 N -3.98 1.96 -3.33 3.71 0.00 -1.26 -4.44 120.51 113.17 2k0r n ALA 86 Ca 0.11 -0.30 -0.15 0.00 0.00 0.00 0.00 53.44 53.11 2k0r n ALA 86 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 2k0r n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k0r s LYS 87 N -0.24 0.85 -0.40 0.00 -0.14 -1.26 -4.94 119.74 113.61 2k0r s LYS 87 Ca 0.00 -0.06 -0.26 0.00 -1.36 0.00 0.00 55.97 54.29 2k0r s LYS 87 Cb 0.00 0.39 0.02 0.00 -1.68 0.00 0.00 37.83 36.56 2k0r s LYS 87 CO 0.00 -0.26 0.94 0.00 -0.76 0.00 0.00 175.35 175.27 2k0r s ALA 88 N -1.46 3.34 -0.13 5.17 0.00 -1.26 -5.01 121.76 122.42 2k0r s ALA 88 Ca -0.11 -0.54 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 2k0r s ALA 88 Cb -0.03 -3.59 0.04 0.00 0.00 0.00 0.00 23.12 19.54 2k0r s ALA 88 CO 0.05 -1.77 0.44 0.14 0.00 0.00 0.00 175.76 174.62 2k0r s VAL 89 N 3.62 0.01 -0.24 0.00 -7.23 -1.26 -5.04 120.40 110.25 2k0r s VAL 89 Ca 0.38 -0.09 0.13 0.00 -1.81 0.00 0.00 61.98 60.59 2k0r s VAL 89 Cb -0.11 -0.66 0.57 0.00 0.56 0.00 0.00 36.38 36.75 2k0r s VAL 89 CO 0.22 -0.05 1.52 0.61 -0.31 0.00 0.00 175.10 177.09 2k0r n GLY 90 N 2.38 4.20 3.98 2.32 0.00 -1.26 -5.00 105.19 111.80 2k0r n GLY 90 Ca -0.15 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.99 3.35 0.60 1.61 2.02 -1.26 -5.09 118.70 116.94 2k0r s GLU 91 Ca 0.46 -0.83 -0.17 0.00 0.02 0.00 0.00 54.97 54.45 2k0r s GLU 91 Cb 0.38 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 2k0r s GLU 91 CO 0.07 0.32 1.12 -1.25 0.02 0.00 0.00 175.26 175.54 2k0r s PRO 92 N -4.04 3.07 0.20 0.39 0.04 -1.26 -4.96 135.00 128.43 2k0r s PRO 92 Ca 0.37 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.91 2k0r s PRO 92 Cb -0.09 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 92 CO 0.30 -1.05 0.07 1.52 0.04 0.00 0.00 177.00 177.87 2k0r s TYR 93 N -2.07 1.24 0.07 0.56 1.13 -0.78 -4.53 117.35 112.97 2k0r s TYR 93 Ca 0.70 -1.18 0.03 0.00 -1.41 0.00 0.00 57.07 55.21 2k0r s TYR 93 Cb -0.22 -0.69 -0.04 0.00 -1.10 0.00 0.00 41.96 39.91 2k0r s TYR 93 CO 0.35 -0.39 0.04 0.21 -2.51 0.00 0.00 175.55 173.25 2k0r s LYS 94 N -4.02 2.76 0.08 -3.49 2.36 -0.64 -1.35 119.74 115.44 2k0r s LYS 94 Ca 0.31 -0.72 0.09 0.00 -2.55 0.00 0.00 55.97 53.09 2k0r s LYS 94 Cb 0.07 -2.66 -0.03 0.00 -1.05 0.00 0.00 37.83 34.15 2k0r s LYS 94 CO 0.08 0.57 -0.23 -1.17 1.55 0.00 0.00 175.35 176.15 2k0r s LEU 95 N -2.25 2.25 -0.16 5.43 0.20 0.95 -0.64 118.68 124.45 2k0r s LEU 95 Ca 0.27 -0.64 -0.04 0.00 0.69 0.00 0.00 54.13 54.41 2k0r s LEU 95 Cb -0.12 -1.04 0.07 0.00 -0.43 0.00 0.00 46.19 44.67 2k0r s LEU 95 CO 0.19 0.14 0.18 0.54 -0.29 0.00 0.00 176.35 177.11 2k0r s VAL 96 N -0.99 -0.26 -0.04 1.68 0.11 0.10 -0.68 120.40 120.32 2k0r s VAL 96 Ca 0.09 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.22 2k0r s VAL 96 Cb -0.10 -0.55 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2k0r s VAL 96 CO 0.04 -0.12 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.68 2k0r s LEU 97 N 2.28 2.10 -0.09 2.54 1.43 0.77 -1.19 118.68 126.52 2k0r s LEU 97 Ca 0.05 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2k0r s LEU 97 Cb -0.15 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2k0r s LEU 97 CO -0.10 0.28 -0.10 -0.89 0.23 0.00 0.00 176.35 175.78 2k0r s THR 98 N -0.39 1.09 -0.08 5.49 2.01 -0.02 0.01 115.64 123.75 2k0r s THR 98 Ca 0.03 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 61.66 2k0r s THR 98 Cb -0.12 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 2k0r s THR 98 CO 0.01 0.36 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.86 2k0r s TYR 99 N 1.19 2.75 -0.22 4.92 2.02 -0.06 -0.13 117.35 127.81 2k0r s TYR 99 Ca -0.05 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 2k0r s TYR 99 Cb -0.14 -1.72 0.09 0.00 -0.40 0.00 0.00 41.96 39.79 2k0r s TYR 99 CO -0.03 0.02 0.51 -1.14 -1.57 0.00 0.00 175.55 173.35 2k0r s GLN 100 N -0.29 0.47 0.00 -0.62 0.74 -1.26 -0.39 119.66 118.31 2k0r s GLN 100 Ca 0.02 1.08 0.00 0.00 0.05 0.00 0.00 55.36 56.51 2k0r s GLN 100 Cb -0.13 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.26 2k0r s GLN 100 CO 0.03 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.98 2k0r n GLY 101 N 4.84 3.16 3.32 2.59 0.00 -1.26 -3.23 105.19 114.59 2k0r n GLY 101 Ca -0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 1.98 0.09 -0.02 1.61 0.01 0.76 -3.83 113.70 114.31 2k0r s SER 102 Ca 0.00 -1.16 -0.18 0.00 1.31 0.00 0.00 55.95 55.93 2k0r s SER 102 Cb 0.00 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.61 2k0r s SER 102 CO 0.00 -0.91 0.50 0.00 0.41 0.00 0.00 173.24 173.24 2k0r s ALA 103 N -4.07 3.57 0.64 1.44 0.00 0.88 -0.19 121.76 124.03 2k0r s ALA 103 Ca 0.29 -0.10 0.34 0.00 0.00 0.00 0.00 51.96 52.49 2k0r s ALA 103 Cb 0.04 -2.58 1.89 0.00 0.00 0.00 0.00 23.12 22.47 2k0r s ALA 103 CO 0.08 0.27 2.12 1.49 0.00 0.00 0.00 175.76 179.72 2k0r h GLU 104 N 5.39 0.00 0.00 0.00 4.22 -1.27 0.18 114.58 123.10 2k0r h GLU 104 Ca -0.47 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 58.84 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 0.67 0.00 -0.60 0.00 -2.18 0.00 0.00 179.01 176.91 2k0r h ALA 105 N 1.68 0.87 0.00 2.92 0.00 -1.92 -3.47 119.26 119.34 2k0r h ALA 105 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k0r h ALA 105 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k0r h ALA 105 CO -0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 2k0r n GLY 106 N 0.47 0.87 3.21 0.00 0.00 0.61 -5.16 105.19 105.20 2k0r n GLY 106 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.68 1.50 -0.17 1.61 1.01 -1.16 -4.95 120.40 117.56 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 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 35.11 2k0r s VAL 107 CO 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 175.10 175.15 2k0r s TYR 109 N 1.38 2.75 0.79 0.00 1.13 -1.25 -5.05 117.35 117.10 2k0r s TYR 109 Ca 0.04 -0.20 -0.11 0.00 -1.41 0.00 0.00 57.07 55.39 2k0r s TYR 109 Cb -0.13 -1.23 0.07 0.00 -1.10 0.00 0.00 41.96 39.57 2k0r s TYR 109 CO -0.11 0.60 1.09 -1.25 -2.51 0.00 0.00 175.55 173.37 2k0r s PRO 110 N -3.64 2.09 0.58 -3.49 0.04 -1.26 -4.63 135.00 124.69 2k0r s PRO 110 Ca 0.31 1.11 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 2k0r s PRO 110 Cb -0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2k0r s PRO 110 CO 0.20 -1.74 1.12 -1.25 0.04 0.00 0.00 177.00 175.37 2k0r s PRO 111 N -4.91 3.18 -0.20 0.56 0.04 -1.26 -4.83 135.00 127.57 2k0r s PRO 111 Ca 0.61 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 111 Cb -0.17 -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 0.00 177.00 176.61 2k0r s VAL 112 N -1.95 1.61 -0.14 -0.36 1.01 0.48 -4.99 120.40 116.05 2k0r s VAL 112 Ca 0.71 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 2k0r s VAL 112 Cb -0.23 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2k0r s VAL 112 CO 0.32 0.11 0.13 1.51 0.00 0.00 0.00 175.10 177.17 2k0r s ASP 113 N 1.40 6.31 -0.13 3.32 -4.77 -1.26 -0.88 116.67 120.66 2k0r s ASP 113 Ca -0.02 0.39 -0.06 0.00 -3.30 0.00 0.00 52.55 49.56 2k0r s ASP 113 Cb -0.17 -2.06 0.06 0.00 -1.09 0.00 0.00 42.92 39.66 2k0r s ASP 113 CO -0.08 0.34 0.28 0.42 0.70 0.00 0.00 175.17 176.84 2k0r s THR 114 N -0.63 -0.24 -0.04 2.11 -4.23 0.10 -5.00 115.64 107.72 2k0r s THR 114 Ca 0.13 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.83 2k0r s THR 114 Cb -0.12 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 2k0r s THR 114 CO 0.02 0.08 0.05 -1.61 -0.54 0.00 0.00 174.62 172.63 2k0r s GLU 115 N 1.85 3.04 -0.12 3.99 8.01 -1.26 -0.17 118.70 134.05 2k0r s GLU 115 Ca -0.04 -0.44 0.02 0.00 0.01 0.00 0.00 54.97 54.51 2k0r s GLU 115 Cb -0.11 -2.85 0.01 0.00 -4.31 0.00 0.00 34.13 26.87 2k0r s GLU 115 CO -0.09 0.67 -0.18 -0.06 0.01 0.00 0.00 175.26 175.61 2k0r s PHE 116 N -1.08 2.24 -0.38 1.61 0.08 0.15 -4.94 117.98 115.66 2k0r s PHE 116 Ca 0.19 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 55.94 2k0r s PHE 116 Cb -0.12 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2k0r s PHE 116 CO 0.09 -0.51 0.80 -0.51 -0.10 0.00 0.00 175.22 174.99 2k0r s ASP 117 N 0.86 6.53 -0.18 1.36 1.01 -1.26 -0.04 116.67 124.96 2k0r s ASP 117 Ca -0.08 0.28 -0.14 0.00 0.71 0.00 0.00 52.55 53.31 2k0r s ASP 117 Cb -0.15 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2k0r s ASP 117 CO -0.01 -0.78 0.33 -0.63 0.21 0.00 0.00 175.17 174.29 2k0r s ILE 118 N 3.18 5.27 -0.02 0.77 -1.09 -0.46 -4.91 121.20 123.94 2k0r s ILE 118 Ca 0.32 0.60 0.04 0.00 -2.23 0.00 0.00 60.65 59.38 2k0r s ILE 118 Cb -0.13 -3.66 0.08 0.00 -1.58 0.00 0.00 42.46 37.17 2k0r s ILE 118 CO 0.18 0.34 1.05 2.22 -1.23 0.00 0.00 174.94 177.50 2k0r n PHE 119 N 3.90 -0.08 -0.29 3.97 1.16 -1.26 -1.86 117.46 122.99 2k0r n PHE 119 Ca -0.11 -0.57 0.00 0.00 -1.87 0.00 0.00 57.45 54.91 2k0r n PHE 119 Cb 0.52 0.45 0.00 0.00 -1.61 0.00 0.00 39.48 38.84 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 -0.00 -0.33 0.09 4.97 0.00 -1.26 -5.00 105.19 103.66 2k0r n GLY 120 Ca -0.22 -0.78 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 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 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 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 -0.81 1.91 3.76 8.20 0.00 -1.26 -4.98 105.19 112.00 2k0r n GLY 122 Ca 0.00 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 4.95 0.03 2.61 2.01 -1.26 -1.05 115.64 122.93 2k0r s THR 123 Ca 0.00 1.18 -0.03 0.00 0.31 0.00 0.00 61.69 63.15 2k0r s THR 123 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 2k0r s THR 123 CO 0.00 0.42 0.02 -0.31 -0.69 0.00 0.00 174.62 174.06 2k0r s TYR 124 N -0.16 0.25 0.03 4.92 1.51 -1.20 -4.98 117.35 117.72 2k0r s TYR 124 Ca 0.30 -0.54 -0.11 0.00 -1.01 0.00 0.00 57.07 55.71 2k0r s TYR 124 Cb -0.18 -0.19 0.01 0.00 -0.11 0.00 0.00 41.96 41.50 2k0r s TYR 124 CO 0.16 -0.27 0.23 -1.01 -1.11 0.00 0.00 175.55 173.55 2k0r s HIS 125 N -2.05 -0.01 0.38 2.71 3.76 -1.26 -2.62 115.29 116.20 2k0r s HIS 125 Ca -0.10 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.39 2k0r s HIS 125 Cb -0.05 0.01 -0.09 0.00 1.11 0.00 0.00 32.58 33.56 2k0r s HIS 125 CO -0.03 -0.44 1.20 -1.25 -0.85 0.00 0.00 174.74 173.38 2k0r s PRO 126 N -2.37 4.16 -0.76 8.40 0.04 -1.26 -4.95 135.00 138.26 2k0r s PRO 126 Ca -0.06 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 2k0r s PRO 126 Cb -0.02 -2.81 0.25 0.00 0.04 0.00 0.00 34.50 31.96 2k0r s PRO 126 CO -0.03 -0.26 2.26 1.04 0.04 0.00 0.00 177.00 180.05 2k0r n GLN 127 N 0.33 2.95 -0.42 4.56 1.13 -1.26 -5.20 117.38 119.46 2k0r n GLN 127 Ca 0.03 -3.25 0.00 0.00 -1.94 0.00 0.00 57.00 51.84 2k0r n GLN 127 Cb 0.45 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.54 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03