#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r n ALA 2 N 0.00 0.18 -2.86 -5.12 0.00 -1.26 -4.98 120.51 106.47 2k0r n ALA 2 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 2k0r n ALA 2 Cb 0.00 0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.93 -2.16 -3.15 0.00 7.99 -1.26 -4.92 117.00 110.58 2k0r n LEU 3 Ca -0.03 -0.18 0.05 0.00 -0.01 0.00 0.00 56.01 55.84 2k0r n LEU 3 Cb 0.11 -2.74 -0.03 0.00 -0.11 0.00 0.00 43.42 40.64 2k0r n LEU 3 CO 0.04 0.07 0.88 -0.62 -1.51 0.00 0.00 177.39 176.25 2k0r s ASP 4 N -2.47 -0.01 0.38 -1.43 -1.08 -1.26 -5.11 116.67 105.69 2k0r s ASP 4 Ca 0.21 0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 2k0r s ASP 4 Cb -0.10 1.01 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 2k0r s ASP 4 CO 0.26 -0.00 0.00 0.00 0.52 0.00 0.00 175.17 175.95 2k0r n ALA 5 N 4.98 -3.03 -1.04 3.66 0.00 -1.26 -4.94 120.51 118.87 2k0r n ALA 5 Ca -0.08 0.55 0.13 0.00 0.00 0.00 0.00 53.44 54.04 2k0r n ALA 5 Cb 0.55 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.93 -5.88 -1.41 0.00 2.85 -1.26 -4.41 115.26 101.21 2k0r n ASN 6 Ca -0.03 0.94 -0.01 0.00 -0.11 0.00 0.00 54.58 55.38 2k0r n ASN 6 Cb 0.54 -3.51 0.20 0.00 1.24 0.00 0.00 39.78 38.25 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 -3.74 3.66 0.17 1.20 5.75 -1.26 -4.09 116.55 118.25 2k0r n ASP 7 Ca -0.05 -2.64 0.13 0.00 -0.01 0.00 0.00 54.79 52.22 2k0r n ASP 7 Cb 0.49 -0.63 0.35 0.00 -1.03 0.00 0.00 41.12 40.30 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 1.97 0.00 -9.75 -2.12 4.07 -1.95 -3.45 115.31 104.08 2k0r h LEU 8 Ca 0.10 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.52 2k0r h LEU 8 Cb 1.55 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.22 2k0r h LEU 8 CO 0.38 0.00 -0.58 -1.48 -1.08 0.00 0.00 178.44 175.68 2k0r s LEU 9 N -5.34 3.58 0.72 1.67 2.34 -1.26 -4.91 118.68 115.48 2k0r s LEU 9 Ca 0.08 -0.39 -0.13 0.00 0.06 0.00 0.00 54.13 53.76 2k0r s LEU 9 Cb 0.09 -2.11 0.03 0.00 -0.56 0.00 0.00 46.19 43.63 2k0r s LEU 9 CO 0.60 -0.01 1.10 -2.16 -1.06 0.00 0.00 176.35 174.82 2k0r s PRO 10 N -3.70 2.51 0.00 1.48 0.04 -1.26 -4.86 135.00 129.21 2k0r s PRO 10 Ca 0.32 1.27 0.15 0.00 0.04 0.00 0.00 61.00 62.77 2k0r s PRO 10 Cb -0.08 -1.92 0.72 0.00 0.04 0.00 0.00 34.50 33.26 2k0r s PRO 10 CO 0.23 -1.46 1.41 -0.35 0.04 0.00 0.00 177.00 176.87 2k0r n PRO 11 N -3.02 0.18 0.10 0.56 -0.04 -1.26 -1.46 135.00 130.07 2k0r n PRO 11 Ca 0.10 0.16 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 2k0r n PRO 11 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.33 2k0r n PRO 11 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2k0r h GLU 12 N 0.00 0.44 -0.02 0.54 4.11 -1.93 -3.34 114.58 114.39 2k0r h GLU 12 Ca 0.00 -0.74 0.00 0.00 0.07 0.00 0.00 59.36 58.69 2k0r h GLU 12 Cb 0.15 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k0r h GLU 12 CO 0.00 1.35 -0.46 0.36 0.07 0.00 0.00 179.01 180.34 2k0r n LYS 13 N -3.90 1.28 0.25 1.06 -0.00 -1.12 -4.20 118.16 111.51 2k0r n LYS 13 Ca -0.15 -1.00 0.15 0.00 -0.00 0.00 0.00 58.31 57.31 2k0r n LYS 13 Cb 0.98 -1.46 0.51 0.00 -0.00 0.00 0.00 35.03 35.06 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 3.80 1.00 -3.65 0.58 0.00 -1.37 -3.43 119.26 116.19 2k0r h ALA 14 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2k0r h ALA 14 Cb 0.74 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.21 2k0r h ALA 14 CO 0.00 0.00 -0.88 -0.06 0.00 0.00 0.00 179.25 178.31 2k0r s PHE 15 N -3.49 2.41 -0.69 0.00 0.08 -1.26 -0.18 117.98 114.85 2k0r s PHE 15 Ca 0.03 -0.86 0.03 0.00 0.12 0.00 0.00 56.93 56.25 2k0r s PHE 15 Cb 0.08 -1.60 0.17 0.00 -0.57 0.00 0.00 43.02 41.10 2k0r s PHE 15 CO 0.57 -0.32 0.49 0.08 -0.10 0.00 0.00 175.22 175.95 2k0r s VAL 16 N 0.14 3.17 0.03 -0.44 1.01 0.74 -4.91 120.40 120.14 2k0r s VAL 16 Ca -0.12 -3.89 -0.30 0.00 0.00 0.00 0.00 61.98 57.67 2k0r s VAL 16 Cb -0.16 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 2k0r s VAL 16 CO 0.06 -0.97 1.43 -2.16 0.00 0.00 0.00 175.10 173.46 2k0r s PRO 17 N -1.07 4.28 -0.07 2.72 0.04 -1.26 -1.55 135.00 138.09 2k0r s PRO 17 Ca 0.23 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 2k0r s PRO 17 Cb -0.11 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.94 2k0r s PRO 17 CO -0.11 -0.56 -0.04 -2.00 0.04 0.00 0.00 177.00 174.33 2k0r s GLU 18 N 2.18 0.94 0.11 4.56 2.12 0.11 -4.78 118.70 123.94 2k0r s GLU 18 Ca 0.65 -0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.94 2k0r s GLU 18 Cb -0.33 -1.09 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 2k0r s GLU 18 CO 0.28 -0.21 0.13 -1.17 -0.54 0.00 0.00 175.26 173.75 2k0r s LEU 19 N 1.51 3.92 -0.26 2.70 2.96 -1.03 0.09 118.68 128.57 2k0r s LEU 19 Ca -0.01 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2k0r s LEU 19 Cb -0.13 -2.56 0.13 0.00 0.50 0.00 0.00 46.19 44.12 2k0r s LEU 19 CO -0.04 0.13 0.32 0.00 -1.32 0.00 0.00 176.35 175.44 2k0r s ALA 20 N -1.54 -0.68 0.25 5.97 0.00 0.12 -3.09 121.76 122.79 2k0r s ALA 20 Ca 0.31 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 2k0r s ALA 20 Cb -0.12 -1.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 2k0r s ALA 20 CO 0.24 -1.51 1.20 0.08 0.00 0.00 0.00 175.76 175.77 2k0r s VAL 21 N 2.42 3.31 0.36 0.00 1.01 -0.37 -1.08 120.40 126.04 2k0r s VAL 21 Ca 0.10 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.31 2k0r s VAL 21 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2k0r s VAL 21 CO -0.24 0.25 0.06 0.00 0.00 0.00 0.00 175.10 175.16 2k0r n ALA 22 N 1.67 0.39 0.24 5.51 0.00 0.93 -4.80 120.51 124.46 2k0r n ALA 22 Ca 0.02 -1.70 0.12 0.00 0.00 0.00 0.00 53.44 51.87 2k0r n ALA 22 Cb 0.44 1.03 0.02 0.00 0.00 0.00 0.00 19.45 20.94 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 -1.43 0.73 -0.39 0.00 2.03 -1.26 -3.96 116.55 112.26 2k0r n ASP 23 Ca -0.11 0.19 0.05 0.00 0.52 0.00 0.00 54.79 55.44 2k0r n ASP 23 Cb 0.49 0.56 0.11 0.00 -0.72 0.00 0.00 41.12 41.56 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 -2.45 2.67 0.00 1.67 9.92 -1.26 -5.03 116.55 122.07 2k0r n ASP 24 Ca 0.01 -2.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.01 2k0r n ASP 24 Cb 0.52 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 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 -0.19 0.20 3.45 0.44 0.00 -1.25 -3.07 105.19 104.78 2k0r n GLY 25 Ca 0.09 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.54 2.52 -0.17 1.61 1.01 -0.60 -0.05 120.40 122.18 2k0r s VAL 26 Ca 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.00 2k0r s VAL 26 Cb 0.00 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.21 2k0r s VAL 26 CO 0.00 -0.12 -0.01 0.20 0.00 0.00 0.00 175.10 175.17 2k0r s ASN 27 N -2.72 2.82 -0.28 3.32 0.01 -0.24 -0.03 114.94 117.83 2k0r s ASN 27 Ca 0.22 -0.71 -0.02 0.00 -0.71 0.00 0.00 52.86 51.63 2k0r s ASN 27 Cb -0.08 -0.75 0.03 0.00 0.41 0.00 0.00 41.25 40.86 2k0r s ASN 27 CO 0.11 -0.24 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.75 2k0r s VAL 28 N 1.74 3.08 -0.14 1.60 1.01 -0.76 0.11 120.40 127.04 2k0r s VAL 28 Ca -0.00 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2k0r s VAL 28 Cb -0.16 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2k0r s VAL 28 CO -0.07 0.06 -0.22 -0.60 0.00 0.00 0.00 175.10 174.27 2k0r s ARG 29 N 1.32 3.03 -0.17 2.72 3.00 0.11 -0.17 118.95 128.79 2k0r s ARG 29 Ca -0.02 -0.85 0.00 0.00 -1.00 0.00 0.00 55.73 53.87 2k0r s ARG 29 Cb -0.18 -2.45 0.01 0.00 0.00 0.00 0.00 34.95 32.32 2k0r s ARG 29 CO -0.02 -0.02 -0.16 -0.59 0.00 0.00 0.00 175.30 174.50 2k0r s PHE 30 N 0.84 2.78 -0.39 5.12 -0.71 -0.41 0.07 117.98 125.28 2k0r s PHE 30 Ca -0.06 -1.26 -0.24 0.00 -1.04 0.00 0.00 56.93 54.33 2k0r s PHE 30 Cb -0.15 -1.91 0.01 0.00 -1.21 0.00 0.00 43.02 39.76 2k0r s PHE 30 CO -0.02 -0.61 0.82 1.03 -1.34 0.00 0.00 175.22 175.10 2k0r s ARG 31 N 1.04 3.69 0.04 1.99 0.52 -0.59 -3.10 118.95 122.53 2k0r s ARG 31 Ca -0.01 0.27 -0.07 0.00 -0.52 0.00 0.00 55.73 55.40 2k0r s ARG 31 Cb -0.15 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.43 2k0r s ARG 31 CO -0.05 -0.95 0.30 0.42 0.02 0.00 0.00 175.30 175.05 2k0r s ILE 32 N 3.26 5.25 0.50 1.52 1.01 0.92 -0.19 121.20 133.47 2k0r s ILE 32 Ca 0.33 0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.93 2k0r s ILE 32 Cb -0.12 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 2k0r s ILE 32 CO 0.19 0.31 1.29 0.00 0.00 0.00 0.00 174.94 176.73 2k0r s ALA 33 N -1.36 2.92 0.64 9.38 0.00 0.75 -4.13 121.76 129.96 2k0r s ALA 33 Ca 0.30 1.19 0.35 0.00 0.00 0.00 0.00 51.96 53.80 2k0r s ALA 33 Cb -0.13 -3.50 1.94 0.00 0.00 0.00 0.00 23.12 21.43 2k0r s ALA 33 CO 0.18 -1.07 2.16 0.22 0.00 0.00 0.00 175.76 177.25 2k0r h ASP 34 N 1.80 0.00 -0.38 0.00 3.58 -1.87 0.22 116.42 119.76 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k0r h ASP 34 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2k0r h ASP 34 CO 0.59 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.56 2k0r n GLY 35 N -1.24 1.15 3.10 -0.78 0.00 -1.26 -4.59 105.19 101.58 2k0r n GLY 35 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.57 0.60 -0.22 1.61 2.02 0.75 -0.91 117.35 119.64 2k0r s TYR 36 Ca 0.27 -1.00 -0.17 0.00 -0.37 0.00 0.00 57.07 55.80 2k0r s TYR 36 Cb 0.16 -0.41 0.06 0.00 -0.40 0.00 0.00 41.96 41.36 2k0r s TYR 36 CO 0.16 -0.31 0.55 1.52 -1.57 0.00 0.00 175.55 175.90 2k0r s TYR 37 N -3.71 -0.70 0.01 2.71 -0.85 -0.03 -4.53 117.35 110.24 2k0r s TYR 37 Ca 0.07 1.58 0.05 0.00 -0.52 0.00 0.00 57.07 58.25 2k0r s TYR 37 Cb 0.06 0.31 -0.03 0.00 0.38 0.00 0.00 41.96 42.68 2k0r s TYR 37 CO -0.08 -0.35 -0.12 -1.64 -1.52 0.00 0.00 175.55 171.84 2k0r s MET 38 N 0.81 2.37 0.11 -3.49 -1.94 -1.07 -0.81 119.30 115.28 2k0r s MET 38 Ca -0.04 -0.82 -0.27 0.00 -1.71 0.00 0.00 55.69 52.85 2k0r s MET 38 Cb -0.05 -2.37 -0.06 0.00 2.01 0.00 0.00 34.83 34.35 2k0r s MET 38 CO -0.06 0.58 0.85 0.71 -0.01 0.00 0.00 175.02 177.09 2k0r s TYR 39 N -0.94 3.82 0.32 -0.03 2.02 -1.20 -1.33 117.35 120.00 2k0r s TYR 39 Ca 0.16 1.65 0.08 0.00 -0.37 0.00 0.00 57.07 58.59 2k0r s TYR 39 Cb -0.11 -2.90 0.82 0.00 -0.40 0.00 0.00 41.96 39.37 2k0r s TYR 39 CO 0.06 0.31 1.78 0.37 -1.57 0.00 0.00 175.55 176.50 2k0r h GLN 40 N 5.26 0.66 -0.03 -0.62 4.15 -0.74 0.37 115.11 124.16 2k0r h GLN 40 Ca -0.44 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 58.81 2k0r h GLN 40 Cb 1.21 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2k0r h GLN 40 CO 0.70 0.44 -0.58 0.00 -1.93 0.00 0.00 178.83 177.46 2k0r h ALA 41 N 1.65 0.98 -0.00 3.38 0.00 -1.93 -3.11 119.26 120.24 2k0r h ALA 41 Ca 0.58 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 2k0r h ALA 41 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k0r h ALA 41 CO -0.37 0.72 -0.93 0.87 0.00 0.00 0.00 179.25 179.54 2k0r h LYS 42 N 0.06 0.38 -6.23 0.00 6.56 -0.71 -3.43 116.57 113.21 2k0r h LYS 42 Ca -0.00 -0.41 -0.57 0.00 -1.06 0.00 0.00 60.65 58.61 2k0r h LYS 42 Cb 1.05 0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.79 2k0r h LYS 42 CO 0.08 1.08 0.97 0.42 -2.06 0.00 0.00 179.45 179.94 2k0r s ILE 43 N -3.27 4.09 0.01 1.86 1.01 0.56 -4.28 121.20 121.18 2k0r s ILE 43 Ca -0.05 1.29 0.07 0.00 0.00 0.00 0.00 60.65 61.95 2k0r s ILE 43 Cb 0.09 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 2k0r s ILE 43 CO 0.86 -0.23 -0.20 -0.69 0.00 0.00 0.00 174.94 174.68 2k0r s VAL 44 N 3.98 2.60 -0.30 2.92 1.01 0.41 -4.92 120.40 126.10 2k0r s VAL 44 Ca 0.59 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2k0r s VAL 44 Cb -0.22 -2.03 0.18 0.00 0.00 0.00 0.00 36.38 34.31 2k0r s VAL 44 CO 0.20 0.45 0.62 -0.83 0.00 0.00 0.00 175.10 175.54 2k0r s GLY 45 N -1.08 -0.93 -0.03 4.51 0.00 -1.24 -0.09 107.32 108.46 2k0r s GLY 45 Ca 0.12 1.97 -0.01 0.00 0.00 0.00 0.00 44.72 46.80 2k0r s GLY 45 CO 0.02 3.32 0.07 1.25 0.00 0.00 0.00 173.10 177.76 2k0r s LYS 46 N 2.87 0.03 -0.04 2.90 2.36 -0.41 -4.69 119.74 122.77 2k0r s LYS 46 Ca 0.15 0.18 0.00 0.00 -2.55 0.00 0.00 55.97 53.75 2k0r s LYS 46 Cb -0.14 -0.12 0.03 0.00 -1.05 0.00 0.00 37.83 36.55 2k0r s LYS 46 CO -0.20 -0.10 -0.00 -0.08 1.55 0.00 0.00 175.35 176.51 2k0r s THR 47 N 0.67 0.22 0.00 3.43 -1.32 -1.26 0.30 115.64 117.68 2k0r s THR 47 Ca -0.05 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2k0r s THR 47 Cb -0.07 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 2k0r s THR 47 CO -0.02 0.17 0.00 -0.46 -2.21 0.00 0.00 174.62 172.10 2k0r n ASN 48 N 4.33 0.00 0.12 8.08 6.94 0.25 -4.38 115.26 130.60 2k0r n ASN 48 Ca -0.22 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.32 2k0r n ASN 48 Cb 0.50 0.00 0.22 0.00 -2.36 0.00 0.00 39.78 38.15 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 0.15 0.00 -0.53 0.13 -1.83 -1.94 132.00 127.97 2k0r h PRO 49 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2k0r h PRO 49 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k0r h PRO 49 CO 0.00 0.59 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 2k0r n ALA 50 N -2.46 0.00 0.00 -0.56 0.00 -1.26 -4.77 120.51 111.45 2k0r n ALA 50 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2k0r n ALA 50 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.34 0.00 0.08 0.00 -0.08 -1.26 -5.02 116.55 108.93 2k0r n ASP 51 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 2k0r n ASP 51 Cb 0.00 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.31 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 0.63 -9.43 -2.67 -0.00 -1.92 -3.45 115.31 98.48 2k0r h LEU 52 Ca 0.00 -0.93 -0.54 0.00 -0.00 0.00 0.00 57.88 56.42 2k0r h LEU 52 Cb 0.00 -0.21 0.02 0.00 -0.00 0.00 0.00 40.66 40.47 2k0r h LEU 52 CO 0.00 1.73 0.99 -0.22 -0.00 0.00 0.00 178.44 180.95 2k0r s LEU 53 N -7.44 4.36 0.00 1.67 1.98 -1.26 -2.65 118.68 115.34 2k0r s LEU 53 Ca -0.15 2.43 0.00 0.00 -2.89 0.00 0.00 54.13 53.52 2k0r s LEU 53 Cb 0.05 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.34 2k0r s LEU 53 CO 0.86 -0.88 0.00 0.61 -1.89 0.00 0.00 176.35 175.06 2k0r n GLY 54 N 3.98 -1.76 3.06 7.98 0.00 -1.10 -4.87 105.19 112.48 2k0r n GLY 54 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 0.53 0.47 1.61 -2.07 -1.26 -5.06 119.66 113.87 2k0r s GLN 55 Ca 0.00 -1.00 -0.23 0.00 -1.82 0.00 0.00 55.36 52.31 2k0r s GLN 55 Cb 0.00 0.10 -0.07 0.00 -1.09 0.00 0.00 33.01 31.95 2k0r s GLN 55 CO 0.00 -0.07 1.16 -1.25 -1.32 0.00 0.00 175.29 173.81 2k0r s PRO 56 N -2.96 3.72 -0.53 9.60 0.04 -1.26 -4.30 135.00 139.31 2k0r s PRO 56 Ca -0.01 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.82 2k0r s PRO 56 Cb 0.01 -2.36 0.14 0.00 0.04 0.00 0.00 34.50 32.32 2k0r s PRO 56 CO -0.06 -0.58 0.30 -1.12 0.04 0.00 0.00 177.00 175.58 2k0r s SER 57 N -1.41 4.15 0.60 6.66 0.01 0.48 -4.93 113.70 119.26 2k0r s SER 57 Ca 0.64 -3.08 -0.20 0.00 1.31 0.00 0.00 55.95 54.63 2k0r s SER 57 Cb -0.28 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.48 2k0r s SER 57 CO 0.34 -0.21 1.33 -0.36 0.41 0.00 0.00 173.24 174.75 2k0r s PHE 58 N -0.34 2.15 -1.28 2.43 0.08 -1.26 -1.41 117.98 118.35 2k0r s PHE 58 Ca 0.19 1.43 0.17 0.00 0.12 0.00 0.00 56.93 58.84 2k0r s PHE 58 Cb -0.21 -3.76 0.82 0.00 -0.57 0.00 0.00 43.02 39.30 2k0r s PHE 58 CO -0.04 -2.97 1.53 0.45 -0.10 0.00 0.00 175.22 174.09 2k0r n SER 59 N -1.52 0.00 -1.86 1.36 2.88 0.21 -4.91 113.62 109.78 2k0r n SER 59 Ca 0.13 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2k0r n SER 59 Cb 0.47 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -1.36 -3.92 0.00 -1.46 3.00 -1.26 -5.02 118.16 108.13 2k0r n LYS 60 Ca 0.07 2.95 0.00 0.00 -0.00 0.00 0.00 58.31 61.33 2k0r n LYS 60 Cb 0.16 -3.41 0.00 0.00 0.00 0.00 0.00 35.03 31.78 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 1.36 0.54 3.28 3.14 0.00 -1.26 -5.09 105.19 107.16 2k0r n GLY 61 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.71 2.13 0.06 1.61 0.41 -0.51 -4.88 118.70 121.24 2k0r s GLU 62 Ca 0.00 -0.88 -0.29 0.00 -0.41 0.00 0.00 54.97 53.39 2k0r s GLU 62 Cb 0.00 -1.99 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2k0r s GLU 62 CO 0.00 0.49 0.91 -2.00 -0.49 0.00 0.00 175.26 174.17 2k0r s GLU 63 N -0.47 4.61 0.01 1.61 2.12 -1.26 -1.01 118.70 124.32 2k0r s GLU 63 Ca 0.06 1.33 -0.08 0.00 0.36 0.00 0.00 54.97 56.64 2k0r s GLU 63 Cb -0.11 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.89 2k0r s GLU 63 CO 0.00 0.17 0.16 0.21 -0.54 0.00 0.00 175.26 175.26 2k0r s LYS 64 N 0.23 0.56 -0.10 4.30 2.36 -0.30 -4.97 119.74 121.83 2k0r s LYS 64 Ca 0.46 -0.47 0.01 0.00 -2.55 0.00 0.00 55.97 53.41 2k0r s LYS 64 Cb -0.22 0.23 -0.02 0.00 -1.05 0.00 0.00 37.83 36.78 2k0r s LYS 64 CO 0.27 -0.15 -0.13 -2.00 1.55 0.00 0.00 175.35 174.90 2k0r s GLU 65 N -1.79 3.08 0.00 4.03 2.12 -1.25 -1.20 118.70 123.68 2k0r s GLU 65 Ca -0.11 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.54 2k0r s GLU 65 Cb -0.05 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.79 2k0r s GLU 65 CO -0.00 0.37 0.00 -3.47 -0.54 0.00 0.00 175.26 171.62 2k0r n ASP 66 N 3.08 0.00 -0.05 -1.70 -0.08 -0.24 -4.92 116.55 112.64 2k0r n ASP 66 Ca -0.18 -0.82 0.05 0.00 -1.51 0.00 0.00 54.79 52.34 2k0r n ASP 66 Cb 0.53 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.93 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 3.00 0.00 -0.67 0.28 -1.26 -2.45 120.64 119.54 2k0r n GLU 67 Ca 0.00 -0.12 0.15 0.00 -0.16 0.00 0.00 57.16 57.03 2k0r n GLU 67 Cb 0.00 -1.06 0.75 0.00 1.43 0.00 0.00 31.44 32.56 2k0r n GLU 67 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2k0r n PHE 68 N -1.08 0.00 0.00 -1.84 3.01 -1.26 -4.60 117.46 111.69 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 0.19 -0.03 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 -5.16 117.46 110.09 2k0r n PHE 69 Ca 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.10 2k0r n PHE 69 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 2k0r n PHE 69 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k0r n GLY 70 N -0.45 0.26 3.39 4.97 0.00 -1.02 -4.91 105.19 107.42 2k0r n GLY 70 Ca 0.00 -1.90 -0.45 0.00 0.00 0.00 0.00 46.02 43.68 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 3.05 0.24 1.61 3.03 -1.26 -1.08 118.95 124.55 2k0r s ARG 71 Ca 0.00 -1.24 -0.13 0.00 2.03 0.00 0.00 55.73 56.39 2k0r s ARG 71 Cb 0.00 -4.21 -0.00 0.00 -1.03 0.00 0.00 34.95 29.71 2k0r s ARG 71 CO 0.00 -1.38 0.47 -1.14 -1.13 0.00 0.00 175.30 172.12 2k0r s GLN 72 N 2.45 1.53 0.15 3.89 2.00 -0.34 -4.94 119.66 124.39 2k0r s GLN 72 Ca 0.11 -1.23 -0.23 0.00 -2.00 0.00 0.00 55.36 52.00 2k0r s GLN 72 Cb -0.23 0.47 -0.08 0.00 0.80 0.00 0.00 33.01 33.97 2k0r s GLN 72 CO 0.07 -0.63 0.72 0.99 -0.50 0.00 0.00 175.29 175.95 2k0r s THR 73 N -4.01 4.47 0.25 -0.34 2.01 -1.26 -1.15 115.64 115.61 2k0r s THR 73 Ca 0.22 1.56 0.01 0.00 0.31 0.00 0.00 61.69 63.78 2k0r s THR 73 Cb -0.01 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2k0r s THR 73 CO 0.08 0.51 0.20 0.68 -0.69 0.00 0.00 174.62 175.40 2k0r s VAL 74 N -1.17 0.00 -0.01 3.82 -7.23 -0.18 0.04 120.40 115.67 2k0r s VAL 74 Ca 0.35 -1.95 0.08 0.00 -1.81 0.00 0.00 61.98 58.64 2k0r s VAL 74 Cb -0.22 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 2k0r s VAL 74 CO 0.24 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.47 2k0r s TYR 75 N -3.90 2.35 -2.21 2.82 2.02 -0.44 -1.42 117.35 116.57 2k0r s TYR 75 Ca 0.38 -0.42 0.21 0.00 -0.37 0.00 0.00 57.07 56.88 2k0r s TYR 75 Cb 0.05 -1.50 0.06 0.00 -0.40 0.00 0.00 41.96 40.17 2k0r s TYR 75 CO 0.17 -0.01 1.09 -2.39 -1.57 0.00 0.00 175.55 172.84 2k0r n HIS 76 N 2.36 0.00 0.00 2.71 1.44 -1.26 -2.58 115.22 117.89 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 0.41 -2.19 -2.65 -1.40 -0.00 -1.26 -4.09 115.22 104.04 2k0r n HIS 77 Ca 0.10 0.02 -0.43 0.00 -0.00 0.00 0.00 57.72 57.42 2k0r n HIS 77 Cb 0.48 0.48 -0.02 0.00 -0.00 0.00 0.00 29.99 30.93 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 -1.86 4.35 -0.36 1.57 -1.05 -1.26 -0.06 118.70 120.03 2k0r s GLU 78 Ca 0.00 1.41 0.04 0.00 -0.15 0.00 0.00 54.97 56.27 2k0r s GLU 78 Cb 0.00 -3.59 0.16 0.00 -0.44 0.00 0.00 34.13 30.26 2k0r s GLU 78 CO 0.00 -0.46 0.44 0.00 0.95 0.00 0.00 175.26 176.19 2k0r s ALA 79 N 2.54 -1.03 0.10 -0.84 0.00 -1.18 -4.79 121.76 116.55 2k0r s ALA 79 Ca 0.47 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.10 2k0r s ALA 79 Cb -0.18 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 2k0r s ALA 79 CO 0.13 -2.06 -0.23 1.14 0.00 0.00 0.00 175.76 174.75 2k0r s GLN 80 N 1.80 1.67 -0.06 0.00 -2.07 -1.26 -1.29 119.66 118.45 2k0r s GLN 80 Ca 0.15 -1.21 0.01 0.00 -1.82 0.00 0.00 55.36 52.49 2k0r s GLN 80 Cb -0.12 -2.02 0.02 0.00 -1.09 0.00 0.00 33.01 29.80 2k0r s GLN 80 CO -0.11 0.48 -0.07 0.08 -1.32 0.00 0.00 175.29 174.35 2k0r s VAL 81 N -1.04 0.75 -0.09 3.63 1.01 0.75 -0.62 120.40 124.79 2k0r s VAL 81 Ca 0.15 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 2k0r s VAL 81 Cb -0.10 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 2k0r s VAL 81 CO 0.07 0.28 0.34 0.00 0.00 0.00 0.00 175.10 175.79 2k0r s ALA 82 N 0.94 3.65 -0.74 5.51 0.00 -0.50 -1.82 121.76 128.80 2k0r s ALA 82 Ca -0.10 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2k0r s ALA 82 Cb -0.15 -2.37 0.18 0.00 0.00 0.00 0.00 23.12 20.78 2k0r s ALA 82 CO 0.00 0.29 0.57 -0.06 0.00 0.00 0.00 175.76 176.56 2k0r s PHE 83 N -0.27 3.62 -0.05 0.00 0.08 0.95 -0.39 117.98 121.93 2k0r s PHE 83 Ca 0.20 -3.07 -0.30 0.00 0.12 0.00 0.00 56.93 53.88 2k0r s PHE 83 Cb -0.15 -3.03 -0.05 0.00 -0.57 0.00 0.00 43.02 39.22 2k0r s PHE 83 CO 0.08 -0.70 1.48 -1.25 -0.10 0.00 0.00 175.22 174.73 2k0r s PRO 84 N -1.00 4.23 0.40 0.24 0.04 -1.26 -1.55 135.00 136.10 2k0r s PRO 84 Ca 0.23 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 63.03 2k0r s PRO 84 Cb -0.11 -3.76 -0.08 0.00 0.04 0.00 0.00 34.50 30.58 2k0r s PRO 84 CO -0.10 -0.71 1.20 0.71 0.04 0.00 0.00 177.00 178.14 2k0r s TYR 85 N 3.23 3.00 -2.16 0.56 2.02 -1.17 -2.72 117.35 120.10 2k0r s TYR 85 Ca 0.66 1.52 0.20 0.00 -0.37 0.00 0.00 57.07 59.08 2k0r s TYR 85 Cb -0.31 -3.47 0.08 0.00 -0.40 0.00 0.00 41.96 37.87 2k0r s TYR 85 CO 0.26 -1.53 1.06 0.00 -1.57 0.00 0.00 175.55 173.77 2k0r n ALA 86 N 0.08 2.87 -2.73 3.71 0.00 -1.08 -4.78 120.51 118.56 2k0r n ALA 86 Ca 0.04 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 2k0r n ALA 86 Cb 0.46 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.90 1.15 -0.34 0.00 -0.14 -1.26 -5.02 119.74 112.23 2k0r s LYS 87 Ca 0.20 -1.14 -0.12 0.00 -1.36 0.00 0.00 55.97 53.54 2k0r s LYS 87 Cb 0.16 0.38 -0.01 0.00 -1.68 0.00 0.00 37.83 36.69 2k0r s LYS 87 CO 0.36 -0.42 0.22 0.00 -0.76 0.00 0.00 175.35 174.75 2k0r s ALA 88 N -3.96 3.43 -0.21 5.17 0.00 -1.26 -5.04 121.76 119.89 2k0r s ALA 88 Ca 0.16 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.50 2k0r s ALA 88 Cb 0.03 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.60 2k0r s ALA 88 CO -0.01 -1.03 0.55 0.14 0.00 0.00 0.00 175.76 175.41 2k0r s VAL 89 N 1.68 -0.00 -0.37 0.00 -7.23 -1.26 -5.04 120.40 108.17 2k0r s VAL 89 Ca 0.05 0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.30 2k0r s VAL 89 Cb -0.18 -0.78 0.63 0.00 0.56 0.00 0.00 36.38 36.62 2k0r s VAL 89 CO 0.09 0.00 1.75 0.61 -0.31 0.00 0.00 175.10 177.25 2k0r n GLY 90 N 3.01 4.43 3.97 2.32 0.00 -1.26 -4.98 105.19 112.68 2k0r n GLY 90 Ca -0.15 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.21 3.42 0.75 1.61 -1.05 -1.26 -5.10 118.70 113.86 2k0r s GLU 91 Ca 0.53 -0.76 -0.11 0.00 -0.15 0.00 0.00 54.97 54.47 2k0r s GLU 91 Cb 0.45 -2.87 0.05 0.00 -0.44 0.00 0.00 34.13 31.31 2k0r s GLU 91 CO 0.08 0.39 1.10 -1.25 0.95 0.00 0.00 175.26 176.52 2k0r s PRO 92 N -4.01 2.37 0.19 -4.83 0.04 -1.26 -4.97 135.00 122.52 2k0r s PRO 92 Ca 0.35 1.22 -0.07 0.00 0.04 0.00 0.00 61.00 62.53 2k0r s PRO 92 Cb -0.09 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2k0r s PRO 92 CO 0.30 -1.56 0.28 1.52 0.04 0.00 0.00 177.00 177.57 2k0r s TYR 93 N -2.79 0.60 0.03 0.56 1.13 -0.81 -4.48 117.35 111.59 2k0r s TYR 93 Ca 0.62 -0.94 0.01 0.00 -1.41 0.00 0.00 57.07 55.36 2k0r s TYR 93 Cb -0.18 -0.15 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 2k0r s TYR 93 CO 0.53 -0.75 0.09 0.21 -2.51 0.00 0.00 175.55 173.12 2k0r s LYS 94 N -4.03 3.04 0.04 -3.49 2.36 -0.73 -1.22 119.74 115.71 2k0r s LYS 94 Ca 0.24 -0.55 0.08 0.00 -2.55 0.00 0.00 55.97 53.20 2k0r s LYS 94 Cb 0.03 -2.83 -0.03 0.00 -1.05 0.00 0.00 37.83 33.96 2k0r s LYS 94 CO 0.05 0.62 -0.24 -1.17 1.55 0.00 0.00 175.35 176.16 2k0r s LEU 95 N -2.01 2.16 -0.15 5.43 0.20 0.70 -0.58 118.68 124.44 2k0r s LEU 95 Ca 0.26 -0.56 -0.02 0.00 0.69 0.00 0.00 54.13 54.50 2k0r s LEU 95 Cb -0.12 -1.17 0.05 0.00 -0.43 0.00 0.00 46.19 44.52 2k0r s LEU 95 CO 0.18 0.23 0.02 -0.69 -0.29 0.00 0.00 176.35 175.79 2k0r s VAL 96 N -0.79 0.49 -0.06 1.68 1.01 0.15 -0.78 120.40 122.09 2k0r s VAL 96 Ca 0.10 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2k0r s VAL 96 Cb -0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2k0r s VAL 96 CO 0.02 -0.02 -0.19 -0.76 0.00 0.00 0.00 175.10 174.14 2k0r s LEU 97 N 1.89 2.42 -0.08 3.92 2.01 0.98 -1.28 118.68 128.54 2k0r s LEU 97 Ca 0.01 -0.36 -0.00 0.00 0.01 0.00 0.00 54.13 53.79 2k0r s LEU 97 Cb -0.15 -1.48 0.02 0.00 0.01 0.00 0.00 46.19 44.60 2k0r s LEU 97 CO -0.07 0.27 -0.05 -0.89 1.01 0.00 0.00 176.35 176.63 2k0r s THR 98 N -0.31 0.69 -0.12 5.49 2.01 0.87 0.12 115.64 124.39 2k0r s THR 98 Ca 0.02 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.90 2k0r s THR 98 Cb -0.13 -0.74 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2k0r s THR 98 CO 0.02 0.29 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.79 2k0r s TYR 99 N 1.49 2.76 -0.23 4.92 2.02 0.25 -0.44 117.35 128.12 2k0r s TYR 99 Ca -0.01 -0.65 -0.10 0.00 -0.37 0.00 0.00 57.07 55.94 2k0r s TYR 99 Cb -0.13 -1.80 0.09 0.00 -0.40 0.00 0.00 41.96 39.72 2k0r s TYR 99 CO -0.04 -0.20 0.52 -1.14 -1.57 0.00 0.00 175.55 173.12 2k0r s GLN 100 N 0.24 0.47 0.00 -0.62 0.74 -1.26 -0.11 119.66 119.11 2k0r s GLN 100 Ca -0.10 1.11 0.00 0.00 0.05 0.00 0.00 55.36 56.42 2k0r s GLN 100 Cb -0.16 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.30 2k0r s GLN 100 CO 0.06 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2k0r n GLY 101 N 4.95 2.84 3.23 2.59 0.00 -1.26 -3.22 105.19 114.32 2k0r n GLY 101 Ca -0.15 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 0.19 0.16 1.61 0.15 0.01 -3.73 113.70 114.09 2k0r s SER 102 Ca 0.00 -0.94 -0.23 0.00 0.70 0.00 0.00 55.95 55.47 2k0r s SER 102 Cb 0.00 0.35 -0.08 0.00 -1.71 0.00 0.00 66.02 64.58 2k0r s SER 102 CO 0.00 -0.78 0.74 0.00 1.20 0.00 0.00 173.24 174.40 2k0r s ALA 103 N -3.97 3.46 0.65 5.45 0.00 1.00 -0.85 121.76 127.50 2k0r s ALA 103 Ca 0.16 0.28 0.37 0.00 0.00 0.00 0.00 51.96 52.77 2k0r s ALA 103 Cb 0.05 -2.89 2.05 0.00 0.00 0.00 0.00 23.12 22.34 2k0r s ALA 103 CO -0.03 0.31 2.21 0.93 0.00 0.00 0.00 175.76 179.18 2k0r h GLU 104 N 4.18 0.00 0.00 0.00 5.08 -1.33 0.87 114.58 123.39 2k0r h GLU 104 Ca -0.48 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 2k0r h GLU 104 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 2k0r h GLU 104 CO 0.65 0.00 -0.68 0.00 -1.00 0.00 0.00 179.01 177.99 2k0r h ALA 105 N 1.79 0.79 0.00 3.43 0.00 -1.92 -3.47 119.26 119.88 2k0r h ALA 105 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2k0r h ALA 105 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 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 0.62 0.85 3.35 0.00 0.00 0.29 -5.15 105.19 105.16 2k0r n GLY 106 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.38 2.22 -0.18 1.61 1.01 -1.18 -4.93 120.40 117.57 2k0r s VAL 107 Ca 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.70 2k0r s VAL 107 Cb 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2k0r s VAL 107 CO 0.00 0.42 -0.18 0.00 0.00 0.00 0.00 175.10 175.33 2k0r s TYR 109 N 1.32 2.72 0.85 0.00 1.13 -1.24 -5.05 117.35 117.07 2k0r s TYR 109 Ca 0.04 -0.21 -0.11 0.00 -1.41 0.00 0.00 57.07 55.38 2k0r s TYR 109 Cb -0.13 -1.21 0.10 0.00 -1.10 0.00 0.00 41.96 39.62 2k0r s TYR 109 CO -0.12 0.61 1.09 -1.25 -2.51 0.00 0.00 175.55 173.38 2k0r s PRO 110 N -3.68 1.66 0.59 -3.49 0.04 -1.26 -4.61 135.00 124.24 2k0r s PRO 110 Ca 0.31 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 2k0r s PRO 110 Cb -0.07 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2k0r s PRO 110 CO 0.20 -2.00 1.12 -1.25 0.04 0.00 0.00 177.00 175.11 2k0r s PRO 111 N -4.92 3.15 -0.20 0.56 0.04 -1.26 -4.82 135.00 127.55 2k0r s PRO 111 Ca 0.62 1.53 0.01 0.00 0.04 0.00 0.00 61.00 63.21 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 0.00 177.00 176.59 2k0r s VAL 112 N -1.98 1.58 -0.14 -0.36 1.01 0.84 -4.98 120.40 116.38 2k0r s VAL 112 Ca 0.71 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2k0r s VAL 112 Cb -0.23 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2k0r s VAL 112 CO 0.32 0.14 0.12 -1.81 0.00 0.00 0.00 175.10 173.88 2k0r s ASP 113 N 1.42 6.24 -0.18 3.32 1.11 -1.26 -0.58 116.67 126.73 2k0r s ASP 113 Ca -0.01 0.38 -0.06 0.00 0.18 0.00 0.00 52.55 53.03 2k0r s ASP 113 Cb -0.16 -2.03 0.08 0.00 1.07 0.00 0.00 42.92 41.88 2k0r s ASP 113 CO -0.08 0.35 0.37 0.42 1.18 0.00 0.00 175.17 177.41 2k0r s THR 114 N -0.66 -0.53 -0.07 -1.27 -4.23 0.12 -5.00 115.64 103.99 2k0r s THR 114 Ca 0.13 0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 2k0r s THR 114 Cb -0.12 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 2k0r s THR 114 CO 0.02 0.08 0.06 -1.61 -0.54 0.00 0.00 174.62 172.63 2k0r s GLU 115 N 2.45 3.12 -0.11 3.99 8.01 -1.26 -0.01 118.70 134.89 2k0r s GLU 115 Ca -0.02 -0.36 0.03 0.00 0.01 0.00 0.00 54.97 54.63 2k0r s GLU 115 Cb -0.12 -2.91 0.01 0.00 -4.31 0.00 0.00 34.13 26.80 2k0r s GLU 115 CO -0.12 0.71 -0.19 -0.06 0.01 0.00 0.00 175.26 175.61 2k0r s PHE 116 N -1.00 2.22 -0.43 1.61 0.08 0.04 -4.95 117.98 115.54 2k0r s PHE 116 Ca 0.16 -0.99 -0.24 0.00 0.12 0.00 0.00 56.93 55.99 2k0r s PHE 116 Cb -0.12 -1.54 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2k0r s PHE 116 CO 0.06 -0.45 0.82 -0.51 -0.10 0.00 0.00 175.22 175.03 2k0r s ASP 117 N 0.69 6.46 -0.09 1.36 1.01 -1.26 -0.21 116.67 124.63 2k0r s ASP 117 Ca -0.12 0.05 -0.20 0.00 0.71 0.00 0.00 52.55 52.99 2k0r s ASP 117 Cb -0.16 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 2k0r s ASP 117 CO 0.03 -0.91 0.56 -0.63 0.21 0.00 0.00 175.17 174.43 2k0r s ILE 118 N 3.37 5.12 0.00 0.77 -1.09 -0.36 -4.90 121.20 124.11 2k0r s ILE 118 Ca 0.32 1.14 0.01 0.00 -2.23 0.00 0.00 60.65 59.89 2k0r s ILE 118 Cb -0.12 -3.90 0.01 0.00 -1.58 0.00 0.00 42.46 36.87 2k0r s ILE 118 CO 0.22 0.31 0.95 2.22 -1.23 0.00 0.00 174.94 177.41 2k0r n PHE 119 N 3.62 0.00 -0.22 3.97 1.16 -1.26 -1.93 117.46 122.80 2k0r n PHE 119 Ca -0.05 -0.44 0.00 0.00 -1.87 0.00 0.00 57.45 55.09 2k0r n PHE 119 Cb 0.51 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 0.01 -0.07 0.02 4.97 0.00 -1.26 -5.00 105.19 103.87 2k0r n GLY 120 Ca -0.24 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -5.08 115.26 113.38 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 0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.03 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 -0.68 1.91 3.71 8.20 0.00 -1.26 -4.97 105.19 112.11 2k0r n GLY 122 Ca 0.00 -0.61 -0.40 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 5.04 -0.02 2.61 2.01 -1.25 -1.24 115.64 122.79 2k0r s THR 123 Ca 0.00 1.44 0.02 0.00 0.31 0.00 0.00 61.69 63.46 2k0r s THR 123 Cb 0.00 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2k0r s THR 123 CO 0.00 0.24 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.79 2k0r s TYR 124 N 0.86 0.75 0.03 4.92 1.51 -1.18 -4.97 117.35 119.27 2k0r s TYR 124 Ca 0.37 -0.17 -0.05 0.00 -1.01 0.00 0.00 57.07 56.22 2k0r s TYR 124 Cb -0.18 -0.54 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2k0r s TYR 124 CO 0.18 -0.07 0.08 -1.01 -1.11 0.00 0.00 175.55 173.61 2k0r s HIS 125 N 0.16 0.19 0.18 2.71 3.76 -1.26 -2.47 115.29 118.55 2k0r s HIS 125 Ca -0.02 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.14 2k0r s HIS 125 Cb -0.07 -0.14 -0.08 0.00 1.11 0.00 0.00 32.58 33.40 2k0r s HIS 125 CO 0.00 -0.32 1.32 -1.25 -0.85 0.00 0.00 174.74 173.64 2k0r s PRO 126 N -2.17 4.38 -0.80 8.40 0.04 -1.26 -4.94 135.00 138.65 2k0r s PRO 126 Ca -0.09 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 2k0r s PRO 126 Cb -0.04 -3.21 0.28 0.00 0.04 0.00 0.00 34.50 31.57 2k0r s PRO 126 CO -0.03 -0.29 2.17 0.00 0.04 0.00 0.00 177.00 178.90 2k0r n GLN 127 N 2.94 2.95 -0.45 4.56 10.64 -1.26 -5.17 117.38 131.59 2k0r n GLN 127 Ca 0.07 -3.38 0.00 0.00 -1.83 0.00 0.00 57.00 51.87 2k0r n GLN 127 Cb 0.43 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.54 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64