#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 -2.70 -3.45 3.04 0.00 -1.26 -5.04 120.51 111.10 2k0r n ALA 2 Ca 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 2k0r n ALA 2 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.09 2k0r n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2k0r s LEU 3 N -3.51 -0.77 -1.57 0.00 2.96 -1.26 -4.75 118.68 109.78 2k0r s LEU 3 Ca 0.11 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 54.69 2k0r s LEU 3 Cb -0.03 1.41 0.00 0.00 0.50 0.00 0.00 46.19 48.07 2k0r s LEU 3 CO 0.78 -0.27 0.00 -0.67 -1.32 0.00 0.00 176.35 174.87 2k0r n ASP 4 N 5.39 -4.67 -2.68 3.68 -0.08 -1.26 -4.76 116.55 112.16 2k0r n ASP 4 Ca -0.06 0.23 -0.05 0.00 -1.51 0.00 0.00 54.79 53.41 2k0r n ASP 4 Cb 0.50 -4.05 0.10 0.00 2.34 0.00 0.00 41.12 40.01 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k0r n ALA 5 N -0.76 -2.37 0.00 -1.67 0.00 -1.26 -4.25 120.51 110.19 2k0r n ALA 5 Ca -0.18 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2k0r n ALA 5 Cb 0.60 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 0.40 0.00 -0.08 0.00 2.85 -1.26 -4.12 115.26 113.05 2k0r n ASN 6 Ca -0.03 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.56 2k0r n ASN 6 Cb 0.74 0.00 0.32 0.00 1.24 0.00 0.00 39.78 42.08 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 0.00 0.64 0.21 1.20 5.75 -1.26 -3.77 116.55 119.32 2k0r n ASP 7 Ca 0.00 -0.44 0.09 0.00 -0.01 0.00 0.00 54.79 54.44 2k0r n ASP 7 Cb 0.00 0.17 0.34 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.40 0.00-10.05 -2.12 -0.00 -1.94 -3.44 115.31 98.16 2k0r h LEU 8 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.34 2k0r h LEU 8 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 2k0r h LEU 8 CO 0.00 0.23 -0.37 -1.48 -0.00 0.00 0.00 178.44 176.82 2k0r s LEU 9 N -6.54 4.26 0.83 1.67 2.34 -1.25 -5.10 118.68 114.89 2k0r s LEU 9 Ca 0.02 0.35 -0.11 0.00 0.06 0.00 0.00 54.13 54.46 2k0r s LEU 9 Cb 0.09 -3.11 0.09 0.00 -0.56 0.00 0.00 46.19 42.70 2k0r s LEU 9 CO 0.66 -0.01 1.09 -2.16 -1.06 0.00 0.00 176.35 174.87 2k0r s PRO 10 N -3.23 1.77 0.00 1.48 0.04 -1.26 -4.89 135.00 128.91 2k0r s PRO 10 Ca 0.38 1.00 0.15 0.00 0.04 0.00 0.00 61.00 62.56 2k0r s PRO 10 Cb -0.11 -1.85 0.72 0.00 0.04 0.00 0.00 34.50 33.29 2k0r s PRO 10 CO 0.29 -1.94 1.41 -0.35 0.04 0.00 0.00 177.00 176.45 2k0r n PRO 11 N -3.70 0.17 0.29 0.56 -0.04 -1.26 -2.43 135.00 128.59 2k0r n PRO 11 Ca 0.08 0.17 -0.15 0.00 -0.04 0.00 0.00 63.50 63.55 2k0r n PRO 11 Cb 0.54 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.71 0.00 0.54 5.08 -1.91 -3.14 114.58 114.44 2k0r h GLU 12 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k0r h GLU 12 Cb 0.16 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k0r h GLU 12 CO 0.00 -0.41 -0.81 0.36 -1.00 0.00 0.00 179.01 177.15 2k0r n LYS 13 N -5.33 0.28 0.24 2.33 0.00 -1.22 -3.96 118.16 110.49 2k0r n LYS 13 Ca -0.12 0.04 0.08 0.00 -0.00 0.00 0.00 58.31 58.31 2k0r n LYS 13 Cb 0.33 -1.63 0.58 0.00 -0.00 0.00 0.00 35.03 34.31 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 2.55 1.60 -3.52 0.58 0.00 -1.51 -3.42 119.26 115.53 2k0r h ALA 14 Ca 0.00 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 54.10 2k0r h ALA 14 Cb 0.73 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.21 2k0r h ALA 14 CO 0.00 0.19 -0.81 -0.06 0.00 0.00 0.00 179.25 178.57 2k0r s PHE 15 N -4.54 2.68 -0.69 0.00 0.08 -1.19 0.19 117.98 114.51 2k0r s PHE 15 Ca -0.04 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.37 2k0r s PHE 15 Cb 0.15 -1.75 0.17 0.00 -0.57 0.00 0.00 43.02 41.02 2k0r s PHE 15 CO 0.66 -0.21 0.47 0.08 -0.10 0.00 0.00 175.22 176.12 2k0r s VAL 16 N 0.13 2.94 0.26 -0.44 1.01 0.10 -4.91 120.40 119.49 2k0r s VAL 16 Ca -0.09 -4.12 -0.29 0.00 0.00 0.00 0.00 61.98 57.48 2k0r s VAL 16 Cb -0.15 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 2k0r s VAL 16 CO 0.06 -0.98 1.26 -2.16 0.00 0.00 0.00 175.10 173.28 2k0r s PRO 17 N -1.28 4.43 -0.06 2.72 0.04 -1.26 -1.60 135.00 138.00 2k0r s PRO 17 Ca 0.24 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.29 2k0r s PRO 17 Cb -0.08 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2k0r s PRO 17 CO -0.14 -0.12 0.15 -2.00 0.04 0.00 0.00 177.00 174.92 2k0r s GLU 18 N -1.01 0.13 0.06 4.56 2.12 0.12 -4.92 118.70 119.76 2k0r s GLU 18 Ca 0.51 0.29 0.02 0.00 0.36 0.00 0.00 54.97 56.15 2k0r s GLU 18 Cb -0.37 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.94 2k0r s GLU 18 CO 0.44 -0.09 0.10 -0.51 -0.54 0.00 0.00 175.26 174.66 2k0r s LEU 19 N 0.62 3.92 -0.25 2.70 2.01 -1.09 -0.93 118.68 125.66 2k0r s LEU 19 Ca -0.05 0.07 -0.02 0.00 0.01 0.00 0.00 54.13 54.15 2k0r s LEU 19 Cb -0.06 -2.51 0.12 0.00 0.01 0.00 0.00 46.19 43.75 2k0r s LEU 19 CO -0.03 0.20 0.29 0.00 1.01 0.00 0.00 176.35 177.82 2k0r s ALA 20 N -1.36 -0.54 0.18 4.21 0.00 0.10 -3.18 121.76 121.16 2k0r s ALA 20 Ca 0.29 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 2k0r s ALA 20 Cb -0.12 -1.62 -0.08 0.00 0.00 0.00 0.00 23.12 21.30 2k0r s ALA 20 CO 0.21 -1.45 0.98 0.08 0.00 0.00 0.00 175.76 175.58 2k0r s VAL 21 N 2.39 4.18 0.36 0.00 1.01 -0.26 -0.17 120.40 127.92 2k0r s VAL 21 Ca 0.09 1.98 0.01 0.00 0.00 0.00 0.00 61.98 64.07 2k0r s VAL 21 Cb -0.15 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 2k0r s VAL 21 CO -0.22 0.38 0.05 0.00 0.00 0.00 0.00 175.10 175.31 2k0r n ALA 22 N 2.13 0.39 0.29 5.51 0.00 0.97 -4.76 120.51 125.03 2k0r n ALA 22 Ca 0.00 -1.72 0.12 0.00 0.00 0.00 0.00 53.44 51.84 2k0r n ALA 22 Cb 0.48 1.03 0.04 0.00 0.00 0.00 0.00 19.45 21.00 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 -1.42 0.76 -0.42 0.00 -0.08 -1.26 -3.92 116.55 110.21 2k0r n ASP 23 Ca -0.11 0.19 0.05 0.00 -1.51 0.00 0.00 54.79 53.41 2k0r n ASP 23 Cb 0.49 0.46 0.13 0.00 2.34 0.00 0.00 41.12 44.55 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 -2.42 2.77 0.00 1.67 8.00 -1.26 -5.04 116.55 120.28 2k0r n ASP 24 Ca 0.01 -2.40 0.00 0.00 0.71 0.00 0.00 54.79 53.11 2k0r n ASP 24 Cb 0.51 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.32 0.31 3.31 0.44 0.00 -1.25 -2.99 105.19 104.68 2k0r n GLY 25 Ca 0.11 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.31 2.08 -0.10 1.61 1.01 -0.44 -0.02 120.40 122.23 2k0r s VAL 26 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 61.98 60.92 2k0r s VAL 26 Cb 0.00 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 2k0r s VAL 26 CO 0.00 0.58 -0.22 0.20 0.00 0.00 0.00 175.10 175.66 2k0r s ASN 27 N -0.54 3.25 -0.10 3.32 -0.87 0.76 0.35 114.94 121.12 2k0r s ASN 27 Ca 0.08 -0.51 0.03 0.00 -1.57 0.00 0.00 52.86 50.88 2k0r s ASN 27 Cb -0.11 -1.37 0.01 0.00 -0.02 0.00 0.00 41.25 39.77 2k0r s ASN 27 CO -0.00 0.17 -0.17 0.54 -2.57 0.00 0.00 177.10 175.07 2k0r s VAL 28 N 0.27 1.61 -0.05 1.60 0.11 -0.64 0.03 120.40 123.32 2k0r s VAL 28 Ca -0.15 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2k0r s VAL 28 Cb -0.17 -1.43 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 2k0r s VAL 28 CO 0.08 0.46 -0.14 -0.60 -3.33 0.00 0.00 175.10 171.57 2k0r s ARG 29 N 0.71 1.64 -0.15 1.54 3.00 -0.11 -0.24 118.95 125.34 2k0r s ARG 29 Ca -0.12 -0.48 0.00 0.00 -1.00 0.00 0.00 55.73 54.13 2k0r s ARG 29 Cb -0.16 -1.40 0.03 0.00 0.00 0.00 0.00 34.95 33.42 2k0r s ARG 29 CO 0.03 0.13 -0.10 -0.59 0.00 0.00 0.00 175.30 174.76 2k0r s PHE 30 N 0.34 1.99 -0.32 5.12 -0.71 0.47 0.13 117.98 125.01 2k0r s PHE 30 Ca -0.09 -1.17 -0.27 0.00 -1.04 0.00 0.00 56.93 54.36 2k0r s PHE 30 Cb -0.13 -1.48 0.01 0.00 -1.21 0.00 0.00 43.02 40.21 2k0r s PHE 30 CO 0.03 -0.64 1.00 1.03 -1.34 0.00 0.00 175.22 175.29 2k0r s ARG 31 N 1.54 4.04 0.05 1.99 0.52 -0.63 -3.13 118.95 123.33 2k0r s ARG 31 Ca 0.03 0.94 -0.06 0.00 -0.52 0.00 0.00 55.73 56.12 2k0r s ARG 31 Cb -0.14 -3.73 -0.05 0.00 0.52 0.00 0.00 34.95 31.55 2k0r s ARG 31 CO -0.09 -0.84 0.30 0.42 0.02 0.00 0.00 175.30 175.10 2k0r s ILE 32 N 3.46 5.27 0.46 1.52 1.01 0.91 0.02 121.20 133.84 2k0r s ILE 32 Ca 0.42 0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.92 2k0r s ILE 32 Cb -0.13 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 2k0r s ILE 32 CO 0.14 0.26 1.34 0.00 0.00 0.00 0.00 174.94 176.68 2k0r s ALA 33 N -1.41 3.11 0.64 9.38 0.00 0.13 -4.19 121.76 129.42 2k0r s ALA 33 Ca 0.32 1.29 0.40 0.00 0.00 0.00 0.00 51.96 53.97 2k0r s ALA 33 Cb -0.13 -3.52 2.18 0.00 0.00 0.00 0.00 23.12 21.64 2k0r s ALA 33 CO 0.20 -1.04 2.23 0.22 0.00 0.00 0.00 175.76 177.36 2k0r h ASP 34 N 2.21 0.00 -0.19 0.00 1.82 -1.74 0.26 116.42 118.77 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 1.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.27 2k0r h ASP 34 CO 0.61 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.85 2k0r n GLY 35 N -1.13 0.66 3.35 -0.78 0.00 -1.26 -4.83 105.19 101.21 2k0r n GLY 35 Ca -0.03 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 2k0r n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0r s TYR 36 N -1.76 1.66 -0.22 1.61 2.02 0.90 -0.65 117.35 120.91 2k0r s TYR 36 Ca 0.34 -0.80 -0.16 0.00 -0.37 0.00 0.00 57.07 56.08 2k0r s TYR 36 Cb 0.19 -0.93 0.06 0.00 -0.40 0.00 0.00 41.96 40.89 2k0r s TYR 36 CO 0.29 0.11 0.56 1.52 -1.57 0.00 0.00 175.55 176.46 2k0r s TYR 37 N -3.24 -0.73 0.10 2.71 -0.85 0.33 -4.63 117.35 111.04 2k0r s TYR 37 Ca 0.27 1.62 0.08 0.00 -0.52 0.00 0.00 57.07 58.52 2k0r s TYR 37 Cb 0.04 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 2k0r s TYR 37 CO 0.09 -0.37 -0.14 -1.64 -1.52 0.00 0.00 175.55 171.97 2k0r s MET 38 N 0.92 1.98 -0.06 -3.49 -1.94 -1.06 -0.24 119.30 115.41 2k0r s MET 38 Ca -0.05 -1.08 -0.19 0.00 -1.71 0.00 0.00 55.69 52.66 2k0r s MET 38 Cb -0.05 -2.22 -0.05 0.00 2.01 0.00 0.00 34.83 34.52 2k0r s MET 38 CO -0.08 0.50 0.52 0.71 -0.01 0.00 0.00 175.02 176.66 2k0r s TYR 39 N -1.16 3.60 0.35 -0.03 1.51 -1.21 -0.93 117.35 119.49 2k0r s TYR 39 Ca 0.19 1.03 0.11 0.00 -1.01 0.00 0.00 57.07 57.39 2k0r s TYR 39 Cb -0.11 -2.55 0.88 0.00 -0.11 0.00 0.00 41.96 40.07 2k0r s TYR 39 CO 0.11 0.29 1.81 0.37 -1.11 0.00 0.00 175.55 177.02 2k0r h GLN 40 N 6.09 0.60 0.00 -0.62 4.15 -0.84 0.34 115.11 124.84 2k0r h GLN 40 Ca -0.44 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 58.82 2k0r h GLN 40 Cb 1.19 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2k0r h GLN 40 CO 0.72 0.40 -0.61 0.00 -1.93 0.00 0.00 178.83 177.41 2k0r h ALA 41 N 1.62 0.99 -0.01 3.38 0.00 -1.93 -3.14 119.26 120.17 2k0r h ALA 41 Ca 0.53 -0.55 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 2k0r h ALA 41 Cb 1.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k0r h ALA 41 CO -0.29 0.76 -0.97 0.87 0.00 0.00 0.00 179.25 179.62 2k0r h LYS 42 N 0.00 0.51 -6.88 0.00 6.56 -0.73 -3.45 116.57 112.59 2k0r h LYS 42 Ca -0.01 -0.55 -0.50 0.00 -1.06 0.00 0.00 60.65 58.54 2k0r h LYS 42 Cb 1.08 0.15 0.03 0.00 -0.57 0.00 0.00 32.23 32.93 2k0r h LYS 42 CO 0.08 1.18 0.48 0.42 -2.06 0.00 0.00 179.45 179.55 2k0r s ILE 43 N -3.30 3.39 0.07 1.86 1.01 0.15 -4.40 121.20 119.98 2k0r s ILE 43 Ca -0.07 1.25 0.03 0.00 0.00 0.00 0.00 60.65 61.87 2k0r s ILE 43 Cb 0.08 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2k0r s ILE 43 CO 0.89 0.19 -0.10 -0.69 0.00 0.00 0.00 174.94 175.23 2k0r s VAL 44 N -1.34 0.81 -0.30 2.92 1.01 0.39 -4.93 120.40 118.96 2k0r s VAL 44 Ca 0.51 -1.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 2k0r s VAL 44 Cb -0.30 -1.01 0.18 0.00 0.00 0.00 0.00 36.38 35.25 2k0r s VAL 44 CO 0.38 -0.43 0.86 -0.83 0.00 0.00 0.00 175.10 175.09 2k0r s GLY 45 N -1.97 -0.61 -0.01 4.51 0.00 -1.25 -1.15 107.32 106.85 2k0r s GLY 45 Ca -0.02 2.40 0.00 0.00 0.00 0.00 0.00 44.72 47.10 2k0r s GLY 45 CO 0.00 3.60 0.01 1.25 0.00 0.00 0.00 173.10 177.96 2k0r s LYS 46 N 2.89 0.03 -0.05 2.90 2.36 -0.53 -4.74 119.74 122.61 2k0r s LYS 46 Ca 0.08 0.07 0.01 0.00 -2.55 0.00 0.00 55.97 53.57 2k0r s LYS 46 Cb -0.12 -0.15 0.02 0.00 -1.05 0.00 0.00 37.83 36.53 2k0r s LYS 46 CO -0.15 -0.07 -0.04 -0.08 1.55 0.00 0.00 175.35 176.56 2k0r s THR 47 N 0.47 0.55 0.00 3.43 -1.32 -1.26 0.12 115.64 117.63 2k0r s THR 47 Ca -0.04 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2k0r s THR 47 Cb -0.06 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 2k0r s THR 47 CO -0.01 0.24 0.00 -0.46 -2.21 0.00 0.00 174.62 172.17 2k0r n ASN 48 N 4.17 0.00 0.06 8.08 0.23 0.28 -4.41 115.26 123.67 2k0r n ASN 48 Ca -0.23 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 53.91 2k0r n ASN 48 Cb 0.51 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.59 2k0r n ASN 48 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2k0r n PRO 49 N -0.23 0.08 0.00 -0.53 -0.04 -1.26 -1.70 135.00 131.32 2k0r n PRO 49 Ca 0.00 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2k0r n PRO 49 Cb 0.00 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -1.62 0.00 0.00 0.55 0.00 -1.26 -4.83 120.51 113.35 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.65 0.00 0.03 0.00 -0.08 -1.26 -5.03 116.55 108.57 2k0r n ASP 51 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 2k0r n ASP 51 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 2k0r n ASP 51 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2k0r h LEU 52 N 0.00 0.48 -9.66 -2.67 -0.00 -1.92 -3.47 115.31 98.08 2k0r h LEU 52 Ca 0.00 -0.91 -0.58 0.00 -0.00 0.00 0.00 57.88 56.39 2k0r h LEU 52 Cb 0.00 -0.16 0.15 0.00 -0.00 0.00 0.00 40.66 40.65 2k0r h LEU 52 CO 0.00 1.77 0.05 -0.11 -0.00 0.00 0.00 178.44 180.14 2k0r n LEU 53 N -3.66 2.52 0.00 1.67 7.94 -1.26 -3.65 117.00 120.55 2k0r n LEU 53 Ca -0.27 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2k0r n LEU 53 Cb 1.01 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.64 2k0r n LEU 53 CO 0.45 -1.88 0.00 0.61 -1.11 0.00 0.00 177.39 175.47 2k0r n GLY 54 N 1.33 0.10 3.08 -3.96 0.00 -1.10 -4.77 105.19 99.86 2k0r n GLY 54 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.59 0.57 1.61 -2.07 -1.26 -5.04 119.66 114.05 2k0r s GLN 55 Ca 0.00 -1.11 -0.18 0.00 -1.82 0.00 0.00 55.36 52.25 2k0r s GLN 55 Cb 0.00 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.98 2k0r s GLN 55 CO 0.00 -0.08 1.12 -1.25 -1.32 0.00 0.00 175.29 173.77 2k0r s PRO 56 N -3.37 3.21 -0.51 9.60 0.04 -1.26 -4.29 135.00 138.42 2k0r s PRO 56 Ca 0.03 1.55 0.03 0.00 0.04 0.00 0.00 61.00 62.65 2k0r s PRO 56 Cb 0.04 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.74 2k0r s PRO 56 CO -0.07 -0.95 0.34 -1.12 0.04 0.00 0.00 177.00 175.24 2k0r s SER 57 N -1.99 3.37 0.56 6.66 0.01 1.00 -4.95 113.70 118.36 2k0r s SER 57 Ca 0.71 -3.12 -0.19 0.00 1.31 0.00 0.00 55.95 54.66 2k0r s SER 57 Cb -0.23 -1.04 -0.07 0.00 0.21 0.00 0.00 66.02 64.89 2k0r s SER 57 CO 0.31 -0.19 0.77 0.49 0.41 0.00 0.00 173.24 175.03 2k0r n PHE 58 N 2.88 0.19 1.45 2.43 3.72 -1.26 -1.20 117.46 125.67 2k0r n PHE 58 Ca 0.18 0.46 0.13 0.00 -0.05 0.00 0.00 57.45 58.18 2k0r n PHE 58 Cb 0.38 -2.07 0.73 0.00 -0.94 0.00 0.00 39.48 37.59 2k0r n PHE 58 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k0r n SER 59 N 0.00 0.00 -2.18 4.37 2.88 0.87 -4.84 113.62 114.72 2k0r n SER 59 Ca 0.12 -0.40 -0.01 0.00 -1.33 0.00 0.00 58.87 57.25 2k0r n SER 59 Cb 0.46 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.73 2k0r n SER 59 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k0r n LYS 60 N -1.17 -4.20 0.00 -1.46 4.76 -1.26 -5.00 118.16 109.82 2k0r n LYS 60 Ca 0.16 3.16 0.00 0.00 -2.87 0.00 0.00 58.31 58.75 2k0r n LYS 60 Cb 0.17 -4.09 0.00 0.00 -1.84 0.00 0.00 35.03 29.27 2k0r n LYS 60 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k0r n GLY 61 N 1.49 0.26 3.04 0.72 0.00 -1.26 -5.09 105.19 104.36 2k0r n GLY 61 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 1.20 0.20 0.06 1.61 -6.30 -0.37 -4.95 118.70 110.15 2k0r s GLU 62 Ca 0.00 0.27 -0.30 0.00 -2.50 0.00 0.00 54.97 52.44 2k0r s GLU 62 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 34.13 34.15 2k0r s GLU 62 CO 0.00 -0.04 0.98 -1.83 0.02 0.00 0.00 175.26 174.38 2k0r s GLU 63 N 0.24 4.63 0.01 4.30 -1.05 -1.26 -0.24 118.70 125.32 2k0r s GLU 63 Ca -0.01 1.45 -0.01 0.00 -0.15 0.00 0.00 54.97 56.25 2k0r s GLU 63 Cb -0.02 -3.41 -0.01 0.00 -0.44 0.00 0.00 34.13 30.24 2k0r s GLU 63 CO -0.01 0.08 -0.01 0.21 0.95 0.00 0.00 175.26 176.49 2k0r s LYS 64 N 0.46 0.25 -0.14 -4.83 2.36 -0.12 -4.94 119.74 112.78 2k0r s LYS 64 Ca 0.49 -0.43 -0.00 0.00 -2.55 0.00 0.00 55.97 53.48 2k0r s LYS 64 Cb -0.22 0.09 -0.01 0.00 -1.05 0.00 0.00 37.83 36.64 2k0r s LYS 64 CO 0.29 -0.04 -0.13 -1.21 1.55 0.00 0.00 175.35 175.81 2k0r s GLU 65 N -1.08 3.34 0.00 4.03 2.02 -1.25 -1.25 118.70 124.51 2k0r s GLU 65 Ca -0.12 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2k0r s GLU 65 Cb -0.07 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.49 2k0r s GLU 65 CO -0.01 0.13 0.00 -3.47 0.02 0.00 0.00 175.26 171.93 2k0r n ASP 66 N 3.78 0.00 -0.21 -0.19 2.03 -0.56 -4.92 116.55 116.48 2k0r n ASP 66 Ca -0.18 -0.81 0.06 0.00 0.52 0.00 0.00 54.79 54.38 2k0r n ASP 66 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 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 2.16 0.00 -0.67 0.28 -1.26 -2.37 120.64 118.78 2k0r n GLU 67 Ca 0.00 -0.50 0.14 0.00 -0.16 0.00 0.00 57.16 56.64 2k0r n GLU 67 Cb 0.00 -1.16 0.62 0.00 1.43 0.00 0.00 31.44 32.33 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 -0.51 0.00 0.00 -1.84 3.01 -1.26 -4.64 117.46 112.22 2k0r n PHE 68 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 2k0r n PHE 68 Cb 0.25 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 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 -0.14 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 110.54 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 0.30 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.30 2k0r n PHE 69 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k0r n GLY 70 N -0.44 0.22 3.42 4.97 0.00 -1.00 -4.90 105.19 107.46 2k0r n GLY 70 Ca 0.00 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 2k0r n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k0r s ARG 71 N 0.00 3.11 0.22 1.61 3.00 -1.26 -1.50 118.95 124.14 2k0r s ARG 71 Ca 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 55.73 54.60 2k0r s ARG 71 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 34.95 30.76 2k0r s ARG 71 CO 0.00 -1.49 0.44 -1.14 0.00 0.00 0.00 175.30 173.11 2k0r s GLN 72 N 3.03 1.44 0.12 3.54 0.74 -0.38 -4.94 119.66 123.22 2k0r s GLN 72 Ca 0.16 -1.20 -0.30 0.00 0.05 0.00 0.00 55.36 54.07 2k0r s GLN 72 Cb -0.20 0.45 -0.06 0.00 1.10 0.00 0.00 33.01 34.30 2k0r s GLN 72 CO 0.10 -0.59 0.98 0.99 -0.55 0.00 0.00 175.29 176.23 2k0r s THR 73 N -3.99 4.39 0.23 -0.34 2.01 -1.26 -0.94 115.64 115.74 2k0r s THR 73 Ca 0.20 2.00 0.01 0.00 0.31 0.00 0.00 61.69 64.21 2k0r s THR 73 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2k0r s THR 73 CO 0.06 0.31 0.16 0.68 -0.69 0.00 0.00 174.62 175.14 2k0r s VAL 74 N -0.05 0.04 -0.02 3.82 -7.23 0.66 -0.09 120.40 117.54 2k0r s VAL 74 Ca 0.47 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.72 2k0r s VAL 74 Cb -0.24 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 2k0r s VAL 74 CO 0.31 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.53 2k0r s TYR 75 N -3.97 2.35 -1.16 2.82 2.02 -0.11 -1.23 117.35 118.07 2k0r s TYR 75 Ca 0.39 -0.42 0.17 0.00 -0.37 0.00 0.00 57.07 56.84 2k0r s TYR 75 Cb 0.06 -1.50 -0.10 0.00 -0.40 0.00 0.00 41.96 40.02 2k0r s TYR 75 CO 0.16 -0.02 0.80 -2.39 -1.57 0.00 0.00 175.55 172.53 2k0r n HIS 76 N 2.39 0.00 0.00 2.71 1.44 -1.26 -2.57 115.22 117.94 2k0r n HIS 76 Ca -0.16 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 2k0r n HIS 76 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 -0.80 -0.65 -3.29 -1.40 -0.00 -1.26 -4.17 115.22 103.66 2k0r n HIS 77 Ca 0.05 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.38 2k0r n HIS 77 Cb 0.31 0.13 -0.07 0.00 -0.00 0.00 0.00 29.99 30.36 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 -1.90 4.22 -0.34 1.57 -1.05 -1.26 -0.06 118.70 119.88 2k0r s GLU 78 Ca 0.00 0.39 0.03 0.00 -0.15 0.00 0.00 54.97 55.23 2k0r s GLU 78 Cb 0.00 -3.53 0.15 0.00 -0.44 0.00 0.00 34.13 30.32 2k0r s GLU 78 CO 0.00 -0.06 0.39 0.00 0.95 0.00 0.00 175.26 176.54 2k0r s ALA 79 N 1.33 -0.72 0.08 -0.84 0.00 -1.18 -4.73 121.76 115.69 2k0r s ALA 79 Ca 0.24 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.72 2k0r s ALA 79 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 2k0r s ALA 79 CO 0.09 -1.99 -0.20 -1.14 0.00 0.00 0.00 175.76 172.52 2k0r s GLN 80 N 1.84 1.17 -0.01 0.00 0.74 -1.26 -0.39 119.66 121.76 2k0r s GLN 80 Ca 0.14 -1.05 0.02 0.00 0.05 0.00 0.00 55.36 54.52 2k0r s GLN 80 Cb -0.14 -1.35 -0.00 0.00 1.10 0.00 0.00 33.01 32.62 2k0r s GLN 80 CO -0.14 0.33 -0.05 0.08 -0.55 0.00 0.00 175.29 174.95 2k0r s VAL 81 N -1.03 0.44 -0.16 1.34 1.01 0.67 -0.09 120.40 122.58 2k0r s VAL 81 Ca 0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 2k0r s VAL 81 Cb -0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2k0r s VAL 81 CO 0.03 0.13 0.15 0.00 0.00 0.00 0.00 175.10 175.41 2k0r s ALA 82 N -0.00 3.77 -0.67 5.51 0.00 -0.34 -1.61 121.76 128.42 2k0r s ALA 82 Ca 0.01 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.36 2k0r s ALA 82 Cb -0.04 -2.09 0.16 0.00 0.00 0.00 0.00 23.12 21.16 2k0r s ALA 82 CO -0.00 0.38 0.45 -0.06 0.00 0.00 0.00 175.76 176.53 2k0r s PHE 83 N -0.31 3.49 0.20 0.00 0.08 0.16 -0.00 117.98 121.59 2k0r s PHE 83 Ca 0.12 -3.26 -0.30 0.00 0.12 0.00 0.00 56.93 53.60 2k0r s PHE 83 Cb -0.12 -2.79 -0.09 0.00 -0.57 0.00 0.00 43.02 39.46 2k0r s PHE 83 CO 0.01 -0.62 1.30 -1.25 -0.10 0.00 0.00 175.22 174.57 2k0r s PRO 84 N -1.11 4.39 0.77 0.24 0.04 -1.26 -1.32 135.00 136.74 2k0r s PRO 84 Ca 0.23 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 2k0r s PRO 84 Cb -0.11 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.29 2k0r s PRO 84 CO -0.12 -0.25 1.12 0.71 0.04 0.00 0.00 177.00 178.51 2k0r s TYR 85 N 0.11 2.36 0.00 0.56 2.02 -1.16 -2.73 117.35 118.50 2k0r s TYR 85 Ca 0.56 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.87 2k0r s TYR 85 Cb -0.36 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 2k0r s TYR 85 CO 0.38 -2.04 0.49 0.00 -1.57 0.00 0.00 175.55 172.80 2k0r n ALA 86 N -3.32 1.73 -3.30 3.71 0.00 -1.24 -4.53 120.51 113.55 2k0r n ALA 86 Ca 0.10 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 2k0r n ALA 86 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.19 0.93 -0.34 0.00 -0.14 -1.26 -4.94 119.74 113.80 2k0r s LYS 87 Ca 0.00 -0.14 -0.23 0.00 -1.36 0.00 0.00 55.97 54.23 2k0r s LYS 87 Cb 0.00 0.42 0.01 0.00 -1.68 0.00 0.00 37.83 36.58 2k0r s LYS 87 CO 0.00 -0.31 0.80 0.00 -0.76 0.00 0.00 175.35 175.08 2k0r s ALA 88 N -1.90 3.47 -0.20 5.17 0.00 -1.26 -5.01 121.76 122.03 2k0r s ALA 88 Ca -0.09 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 2k0r s ALA 88 Cb -0.02 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.81 2k0r s ALA 88 CO 0.02 -1.36 0.50 0.14 0.00 0.00 0.00 175.76 175.05 2k0r s VAL 89 N 3.07 -0.01 -0.28 0.00 -7.23 -1.26 -5.04 120.40 109.66 2k0r s VAL 89 Ca 0.32 0.03 0.15 0.00 -1.81 0.00 0.00 61.98 60.68 2k0r s VAL 89 Cb -0.13 -0.71 0.75 0.00 0.56 0.00 0.00 36.38 36.84 2k0r s VAL 89 CO 0.15 0.01 1.67 0.61 -0.31 0.00 0.00 175.10 177.23 2k0r n GLY 90 N 3.55 3.24 3.98 2.32 0.00 -1.26 -4.97 105.19 112.04 2k0r n GLY 90 Ca -0.18 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.73 3.34 0.59 1.61 2.02 -1.26 -5.09 118.70 117.17 2k0r s GLU 91 Ca 0.52 -0.84 -0.18 0.00 0.02 0.00 0.00 54.97 54.49 2k0r s GLU 91 Cb 0.39 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 2k0r s GLU 91 CO 0.15 0.31 1.12 -1.25 0.02 0.00 0.00 175.26 175.61 2k0r s PRO 92 N -4.04 3.15 0.23 0.39 0.04 -1.26 -4.98 135.00 128.52 2k0r s PRO 92 Ca 0.37 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.96 2k0r s PRO 92 Cb -0.09 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2k0r s PRO 92 CO 0.30 -1.00 0.05 1.52 0.04 0.00 0.00 177.00 177.91 2k0r s TYR 93 N -1.98 1.45 -0.03 0.56 1.13 -0.72 -4.59 117.35 113.17 2k0r s TYR 93 Ca 0.71 -1.08 -0.00 0.00 -1.41 0.00 0.00 57.07 55.28 2k0r s TYR 93 Cb -0.23 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.75 2k0r s TYR 93 CO 0.32 -0.24 0.02 0.21 -2.51 0.00 0.00 175.55 173.36 2k0r s LYS 94 N -3.97 2.93 -0.05 -3.49 2.36 -0.69 -1.48 119.74 115.35 2k0r s LYS 94 Ca 0.32 -0.50 0.06 0.00 -2.55 0.00 0.00 55.97 53.30 2k0r s LYS 94 Cb 0.07 -2.77 -0.01 0.00 -1.05 0.00 0.00 37.83 34.07 2k0r s LYS 94 CO 0.10 0.66 -0.24 -1.17 1.55 0.00 0.00 175.35 176.25 2k0r s LEU 95 N -1.37 2.04 -0.15 5.43 2.96 0.10 -0.55 118.68 127.14 2k0r s LEU 95 Ca 0.18 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2k0r s LEU 95 Cb -0.12 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.30 2k0r s LEU 95 CO 0.08 0.24 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.53 2k0r s VAL 96 N -0.22 1.58 -0.06 1.68 1.01 0.12 0.04 120.40 124.55 2k0r s VAL 96 Ca -0.01 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2k0r s VAL 96 Cb -0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2k0r s VAL 96 CO 0.03 0.46 -0.22 -0.76 0.00 0.00 0.00 175.10 174.60 2k0r s LEU 97 N 1.46 2.24 -0.08 3.92 2.01 0.84 -1.45 118.68 127.62 2k0r s LEU 97 Ca 0.04 -0.43 0.00 0.00 0.01 0.00 0.00 54.13 53.75 2k0r s LEU 97 Cb -0.13 -1.42 0.02 0.00 0.01 0.00 0.00 46.19 44.67 2k0r s LEU 97 CO -0.10 0.27 -0.07 -0.89 1.01 0.00 0.00 176.35 176.57 2k0r s THR 98 N -0.29 0.84 -0.11 5.49 2.01 -0.30 -0.03 115.64 123.25 2k0r s THR 98 Ca 0.00 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.78 2k0r s THR 98 Cb -0.13 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 2k0r s THR 98 CO 0.03 0.31 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.82 2k0r s TYR 99 N 1.29 2.76 -0.22 4.92 2.02 -0.23 -0.47 117.35 127.43 2k0r s TYR 99 Ca -0.04 -0.59 -0.10 0.00 -0.37 0.00 0.00 57.07 55.97 2k0r s TYR 99 Cb -0.14 -1.79 0.09 0.00 -0.40 0.00 0.00 41.96 39.72 2k0r s TYR 99 CO -0.03 -0.15 0.51 -1.14 -1.57 0.00 0.00 175.55 173.17 2k0r s GLN 100 N 0.13 0.47 0.00 -0.62 0.74 -1.26 -0.82 119.66 118.30 2k0r s GLN 100 Ca -0.07 1.08 0.00 0.00 0.05 0.00 0.00 55.36 56.42 2k0r s GLN 100 Cb -0.15 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.25 2k0r s GLN 100 CO 0.05 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2k0r n GLY 101 N 4.85 2.90 3.26 2.59 0.00 -1.26 -3.29 105.19 114.24 2k0r n GLY 101 Ca -0.16 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 0.11 0.15 1.61 0.15 0.66 -3.90 113.70 114.49 2k0r s SER 102 Ca 0.00 -0.84 -0.26 0.00 0.70 0.00 0.00 55.95 55.56 2k0r s SER 102 Cb 0.00 0.38 -0.08 0.00 -1.71 0.00 0.00 66.02 64.61 2k0r s SER 102 CO 0.00 -0.81 0.79 0.00 1.20 0.00 0.00 173.24 174.42 2k0r s ALA 103 N -3.94 3.43 0.66 5.45 0.00 0.95 -0.51 121.76 127.80 2k0r s ALA 103 Ca 0.13 0.37 0.39 0.00 0.00 0.00 0.00 51.96 52.85 2k0r s ALA 103 Cb 0.04 -2.98 2.12 0.00 0.00 0.00 0.00 23.12 22.30 2k0r s ALA 103 CO -0.04 0.25 2.22 0.93 0.00 0.00 0.00 175.76 179.12 2k0r h GLU 104 N 4.54 0.00 0.00 0.00 4.39 -1.18 0.97 114.58 123.30 2k0r h GLU 104 Ca -0.46 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.09 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2k0r h GLU 104 CO 0.67 0.00 -0.70 0.00 -1.16 0.00 0.00 179.01 177.82 2k0r h ALA 105 N 1.79 0.74 0.00 3.43 0.00 -1.92 -3.47 119.26 119.82 2k0r h ALA 105 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2k0r h ALA 105 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2k0r h ALA 105 CO -0.00 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.53 2k0r n GLY 106 N 0.71 0.86 3.30 0.00 0.00 0.33 -5.15 105.19 105.23 2k0r n GLY 106 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.22 1.94 -0.16 1.61 1.01 -1.18 -4.94 120.40 117.45 2k0r s VAL 107 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.75 2k0r s VAL 107 Cb 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.75 2k0r s VAL 107 CO 0.00 0.36 -0.20 0.00 0.00 0.00 0.00 175.10 175.26 2k0r s TYR 109 N 1.16 2.66 0.72 0.00 1.13 -1.25 -5.05 117.35 116.71 2k0r s TYR 109 Ca 0.01 -0.25 -0.13 0.00 -1.41 0.00 0.00 57.07 55.30 2k0r s TYR 109 Cb -0.14 -1.21 0.03 0.00 -1.10 0.00 0.00 41.96 39.54 2k0r s TYR 109 CO -0.09 0.61 1.10 -1.25 -2.51 0.00 0.00 175.55 173.41 2k0r s PRO 110 N -3.67 2.52 0.59 -3.49 0.04 -1.26 -4.67 135.00 125.06 2k0r s PRO 110 Ca 0.32 1.27 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 2k0r s PRO 110 Cb -0.06 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2k0r s PRO 110 CO 0.20 -1.45 1.12 -1.25 0.04 0.00 0.00 177.00 175.65 2k0r s PRO 111 N -4.52 3.13 -0.18 0.56 0.04 -1.26 -4.87 135.00 127.90 2k0r s PRO 111 Ca 0.64 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 111 Cb -0.19 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.41 2k0r s PRO 111 CO 0.49 -1.01 -0.08 0.08 0.04 0.00 0.00 177.00 176.52 2k0r s VAL 112 N -2.01 1.38 -0.12 -0.36 1.01 0.00 -4.99 120.40 115.31 2k0r s VAL 112 Ca 0.70 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2k0r s VAL 112 Cb -0.22 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2k0r s VAL 112 CO 0.33 0.18 0.13 1.51 0.00 0.00 0.00 175.10 177.24 2k0r s ASP 113 N 1.52 6.26 -0.10 3.32 -4.77 -1.26 -1.06 116.67 120.57 2k0r s ASP 113 Ca 0.00 0.43 -0.05 0.00 -3.30 0.00 0.00 52.55 49.63 2k0r s ASP 113 Cb -0.15 -2.01 0.05 0.00 -1.09 0.00 0.00 42.92 39.71 2k0r s ASP 113 CO -0.08 0.40 0.23 0.42 0.70 0.00 0.00 175.17 176.84 2k0r s THR 114 N -0.96 -0.09 -0.04 2.11 -4.23 0.96 -5.01 115.64 108.38 2k0r s THR 114 Ca 0.15 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.82 2k0r s THR 114 Cb -0.12 -0.37 -0.04 0.00 1.34 0.00 0.00 72.50 73.32 2k0r s THR 114 CO 0.04 0.07 0.05 -1.61 -0.54 0.00 0.00 174.62 172.63 2k0r s GLU 115 N 1.41 3.03 -0.08 3.99 8.01 -1.26 -0.11 118.70 133.69 2k0r s GLU 115 Ca -0.08 -0.45 0.02 0.00 0.01 0.00 0.00 54.97 54.47 2k0r s GLU 115 Cb -0.11 -2.84 0.01 0.00 -4.31 0.00 0.00 34.13 26.89 2k0r s GLU 115 CO -0.08 0.67 -0.12 -0.06 0.01 0.00 0.00 175.26 175.68 2k0r s PHE 116 N -1.06 1.57 -0.33 1.61 0.08 0.11 -4.96 117.98 114.99 2k0r s PHE 116 Ca 0.18 -0.64 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 2k0r s PHE 116 Cb -0.12 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.17 2k0r s PHE 116 CO 0.09 -0.35 0.81 -0.51 -0.10 0.00 0.00 175.22 175.15 2k0r s ASP 117 N 0.88 6.64 -0.24 1.36 1.01 -1.26 -0.72 116.67 124.33 2k0r s ASP 117 Ca -0.10 0.57 -0.12 0.00 0.71 0.00 0.00 52.55 53.61 2k0r s ASP 117 Cb -0.15 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 2k0r s ASP 117 CO 0.01 -0.68 0.25 -0.63 0.21 0.00 0.00 175.17 174.33 2k0r s ILE 118 N 3.06 5.29 0.00 0.77 -1.09 -0.55 -4.91 121.20 123.78 2k0r s ILE 118 Ca 0.33 0.36 0.09 0.00 -2.23 0.00 0.00 60.65 59.20 2k0r s ILE 118 Cb -0.14 -3.59 0.15 0.00 -1.58 0.00 0.00 42.46 37.31 2k0r s ILE 118 CO 0.14 0.28 0.98 2.22 -1.23 0.00 0.00 174.94 177.33 2k0r n PHE 119 N 4.63 0.00 -0.38 3.97 1.16 -1.26 -1.76 117.46 123.82 2k0r n PHE 119 Ca -0.12 -0.30 0.00 0.00 -1.87 0.00 0.00 57.45 55.16 2k0r n PHE 119 Cb 0.52 0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.48 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 0.18 -0.90 0.00 4.97 0.00 -1.26 -4.99 105.19 103.19 2k0r n GLY 120 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -5.10 115.26 113.36 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 0.00 2.17 3.72 8.20 0.00 -1.26 -5.00 105.19 113.03 2k0r n GLY 122 Ca 0.00 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 5.04 0.03 2.61 2.01 -1.26 -1.10 115.64 122.98 2k0r s THR 123 Ca 0.00 1.36 0.05 0.00 0.31 0.00 0.00 61.69 63.41 2k0r s THR 123 Cb 0.00 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2k0r s THR 123 CO 0.00 0.28 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.76 2k0r s TYR 124 N 0.65 1.28 0.03 4.92 1.51 -1.19 -4.97 117.35 119.57 2k0r s TYR 124 Ca 0.35 -0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.03 2k0r s TYR 124 Cb -0.17 -0.77 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 2k0r s TYR 124 CO 0.17 0.03 0.06 -1.01 -1.11 0.00 0.00 175.55 173.70 2k0r s HIS 125 N -0.78 0.21 0.46 2.71 3.76 -1.26 -2.66 115.29 117.74 2k0r s HIS 125 Ca 0.03 -0.48 -0.23 0.00 -0.15 0.00 0.00 55.06 54.23 2k0r s HIS 125 Cb -0.08 -0.15 -0.07 0.00 1.11 0.00 0.00 32.58 33.39 2k0r s HIS 125 CO 0.01 -0.31 1.16 -1.25 -0.85 0.00 0.00 174.74 173.51 2k0r s PRO 126 N -2.17 3.73 -0.65 8.40 0.04 -1.26 -4.96 135.00 138.12 2k0r s PRO 126 Ca -0.09 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2k0r s PRO 126 Cb -0.04 -2.38 0.41 0.00 0.04 0.00 0.00 34.50 32.53 2k0r s PRO 126 CO -0.03 -0.57 1.77 0.00 0.04 0.00 0.00 177.00 178.21 2k0r n GLN 127 N -0.54 2.96 0.00 4.56 10.64 -1.26 -5.24 117.38 128.51 2k0r n GLN 127 Ca 0.08 -3.70 0.09 0.00 -1.83 0.00 0.00 57.00 51.64 2k0r n GLN 127 Cb 0.48 -2.27 0.08 0.00 -0.86 0.00 0.00 30.24 27.66 2k0r n GLN 127 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48