#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 1.34 -1.42 3.04 0.00 -1.26 -5.10 120.51 117.11 2k0r n ALA 2 Ca 0.00 -1.01 0.19 0.00 0.00 0.00 0.00 53.44 52.62 2k0r n ALA 2 Cb 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 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 -3.20 -0.74 -1.28 0.00 4.77 -1.26 -4.83 117.00 110.47 2k0r n LEU 3 Ca -0.38 1.65 -0.17 0.00 -0.03 0.00 0.00 56.01 57.08 2k0r n LEU 3 Cb 1.04 -4.37 -0.07 0.00 -2.33 0.00 0.00 43.42 37.69 2k0r n LEU 3 CO 0.34 -3.62 -0.16 0.47 -1.33 0.00 0.00 177.39 173.10 2k0r n ASP 4 N -4.21 -5.17 -2.66 -1.43 8.00 -1.26 -4.81 116.55 105.01 2k0r n ASP 4 Ca -0.00 0.41 -0.04 0.00 0.71 0.00 0.00 54.79 55.87 2k0r n ASP 4 Cb 0.65 -4.14 0.05 0.00 -0.02 0.00 0.00 41.12 37.67 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k0r n ALA 5 N 1.31 -3.95 -3.90 2.24 0.00 -1.26 -4.44 120.51 110.51 2k0r n ALA 5 Ca -0.17 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.38 2k0r n ALA 5 Cb 0.57 -3.50 0.01 0.00 0.00 0.00 0.00 19.45 16.53 2k0r n ALA 5 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2k0r s ASN 6 N 0.57 -0.00 -0.13 0.00 2.47 -1.26 -4.16 114.94 112.43 2k0r s ASN 6 Ca 0.24 -0.04 0.13 0.00 0.42 0.00 0.00 52.86 53.61 2k0r s ASN 6 Cb 0.17 0.03 0.61 0.00 -1.45 0.00 0.00 41.25 40.60 2k0r s ASN 6 CO -0.10 -0.06 1.46 -0.90 -3.72 0.00 0.00 177.10 173.79 2k0r n ASP 7 N -0.87 4.23 0.05 -4.21 5.75 -1.26 -4.03 116.55 116.21 2k0r n ASP 7 Ca 0.02 -2.51 0.04 0.00 -0.01 0.00 0.00 54.79 52.33 2k0r n ASP 7 Cb 0.60 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 2k0r n ASP 7 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2k0r n LEU 8 N 0.71 0.77 -4.93 -2.12 -0.00 -1.26 -4.92 117.00 105.25 2k0r n LEU 8 Ca 0.21 0.33 -0.25 0.00 -0.00 0.00 0.00 56.01 56.29 2k0r n LEU 8 Cb 0.84 0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 44.28 2k0r n LEU 8 CO 0.22 0.04 0.15 -1.48 -0.00 0.00 0.00 177.39 176.31 2k0r s LEU 9 N -5.55 4.07 0.74 -1.96 0.05 -1.26 -5.09 118.68 109.68 2k0r s LEU 9 Ca -0.03 0.48 -0.12 0.00 0.05 0.00 0.00 54.13 54.52 2k0r s LEU 9 Cb 0.09 -3.32 0.04 0.00 -2.05 0.00 0.00 46.19 40.95 2k0r s LEU 9 CO 0.81 -0.23 1.10 -2.16 -0.55 0.00 0.00 176.35 175.32 2k0r s PRO 10 N -3.98 2.42 0.00 1.48 0.04 -1.26 -4.88 135.00 128.82 2k0r s PRO 10 Ca 0.40 1.24 0.15 0.00 0.04 0.00 0.00 61.00 62.83 2k0r s PRO 10 Cb -0.10 -1.91 0.71 0.00 0.04 0.00 0.00 34.50 33.24 2k0r s PRO 10 CO 0.33 -1.52 1.42 -0.35 0.04 0.00 0.00 177.00 176.92 2k0r n PRO 11 N -3.18 0.16 -0.01 0.56 -0.04 -1.26 -1.84 135.00 129.39 2k0r n PRO 11 Ca 0.09 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.60 2k0r n PRO 11 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.06 0.00 0.54 5.08 -1.92 -3.32 114.58 114.91 2k0r h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k0r h GLU 12 Cb 0.17 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k0r h GLU 12 CO 0.00 0.52 -0.81 0.36 -1.00 0.00 0.00 179.01 178.08 2k0r n LYS 13 N -4.82 0.24 0.30 2.33 -0.00 -1.19 -3.96 118.16 111.05 2k0r n LYS 13 Ca -0.09 0.03 0.17 0.00 -0.00 0.00 0.00 58.31 58.42 2k0r n LYS 13 Cb 0.30 -1.61 0.92 0.00 -0.00 0.00 0.00 35.03 34.65 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 2.62 1.25 -3.62 0.58 0.00 -1.46 -3.41 119.26 115.22 2k0r h ALA 14 Ca 0.00 -0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.22 2k0r h ALA 14 Cb 0.69 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.15 2k0r h ALA 14 CO 0.00 0.05 -0.87 -0.06 0.00 0.00 0.00 179.25 178.37 2k0r s PHE 15 N -4.26 2.30 -0.68 0.00 0.08 -1.25 -0.22 117.98 113.95 2k0r s PHE 15 Ca -0.04 -0.83 0.04 0.00 0.12 0.00 0.00 56.93 56.22 2k0r s PHE 15 Cb 0.13 -1.54 0.16 0.00 -0.57 0.00 0.00 43.02 41.21 2k0r s PHE 15 CO 0.52 -0.31 0.47 0.08 -0.10 0.00 0.00 175.22 175.87 2k0r s VAL 16 N 0.19 2.98 0.32 -0.44 1.01 0.66 -4.90 120.40 120.21 2k0r s VAL 16 Ca -0.12 -4.00 -0.29 0.00 0.00 0.00 0.00 61.98 57.57 2k0r s VAL 16 Cb -0.16 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 2k0r s VAL 16 CO 0.06 -0.96 1.22 -2.16 0.00 0.00 0.00 175.10 173.26 2k0r s PRO 17 N -1.15 4.43 -0.05 2.72 0.04 -1.26 -1.55 135.00 138.18 2k0r s PRO 17 Ca 0.23 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 2k0r s PRO 17 Cb -0.10 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.40 2k0r s PRO 17 CO -0.12 -0.06 0.09 -2.00 0.04 0.00 0.00 177.00 174.95 2k0r s GLU 18 N -1.71 0.01 0.01 4.56 2.56 0.13 -4.90 118.70 119.36 2k0r s GLU 18 Ca 0.48 0.34 -0.01 0.00 0.00 0.00 0.00 54.97 55.78 2k0r s GLU 18 Cb -0.36 -0.27 -0.04 0.00 2.00 0.00 0.00 34.13 35.46 2k0r s GLU 18 CO 0.48 -0.21 0.12 -1.17 -0.56 0.00 0.00 175.26 173.91 2k0r s LEU 19 N 1.46 4.05 -0.26 2.70 1.98 -1.06 -0.76 118.68 126.79 2k0r s LEU 19 Ca -0.05 0.19 -0.01 0.00 -2.89 0.00 0.00 54.13 51.36 2k0r s LEU 19 Cb -0.12 -2.45 0.13 0.00 0.66 0.00 0.00 46.19 44.41 2k0r s LEU 19 CO -0.04 0.25 0.32 0.00 -1.89 0.00 0.00 176.35 174.99 2k0r s ALA 20 N -1.28 -0.73 0.19 5.97 0.00 0.82 -3.19 121.76 123.54 2k0r s ALA 20 Ca 0.26 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 2k0r s ALA 20 Cb -0.12 -1.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 2k0r s ALA 20 CO 0.17 -1.48 0.99 0.08 0.00 0.00 0.00 175.76 175.52 2k0r s VAL 21 N 2.44 4.12 0.36 0.00 1.01 -0.18 -0.52 120.40 127.62 2k0r s VAL 21 Ca 0.10 1.94 0.01 0.00 0.00 0.00 0.00 61.98 64.03 2k0r s VAL 21 Cb -0.14 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2k0r s VAL 21 CO -0.23 0.39 0.04 0.00 0.00 0.00 0.00 175.10 175.30 2k0r n ALA 22 N 2.04 0.37 0.20 5.51 0.00 0.11 -4.75 120.51 123.99 2k0r n ALA 22 Ca 0.00 -1.69 0.12 0.00 0.00 0.00 0.00 53.44 51.86 2k0r n ALA 22 Cb 0.47 1.00 0.02 0.00 0.00 0.00 0.00 19.45 20.95 2k0r n ALA 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k0r n ASP 23 N -1.39 0.80 -0.46 0.00 -0.08 -1.26 -3.93 116.55 110.24 2k0r n ASP 23 Ca -0.12 0.26 0.07 0.00 -1.51 0.00 0.00 54.79 53.49 2k0r n ASP 23 Cb 0.49 0.44 0.16 0.00 2.34 0.00 0.00 41.12 44.54 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 -2.54 2.92 0.00 1.67 9.92 -1.26 -5.03 116.55 122.22 2k0r n ASP 24 Ca 0.01 -2.60 0.00 0.00 -0.53 0.00 0.00 54.79 51.66 2k0r n ASP 24 Cb 0.53 -0.34 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 -0.50 0.39 3.17 0.44 0.00 -1.25 -3.25 105.19 104.18 2k0r n GLY 25 Ca 0.14 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.47 1.46 -0.09 1.61 1.01 -0.33 0.09 120.40 121.68 2k0r s VAL 26 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.25 2k0r s VAL 26 Cb 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2k0r s VAL 26 CO 0.00 0.42 -0.22 0.20 0.00 0.00 0.00 175.10 175.49 2k0r s ASN 27 N -0.29 3.28 -0.07 3.32 0.01 0.32 0.21 114.94 121.72 2k0r s ASN 27 Ca 0.04 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.72 2k0r s ASN 27 Cb -0.09 -1.19 0.02 0.00 0.41 0.00 0.00 41.25 40.40 2k0r s ASN 27 CO 0.00 0.20 -0.09 0.54 -1.51 0.00 0.00 177.10 176.25 2k0r s VAL 28 N 0.09 0.93 -0.06 1.60 0.11 -0.69 -0.13 120.40 122.26 2k0r s VAL 28 Ca -0.10 -0.33 0.03 0.00 -2.93 0.00 0.00 61.98 58.65 2k0r s VAL 28 Cb -0.16 -0.89 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 2k0r s VAL 28 CO 0.06 0.32 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.42 2k0r s ARG 29 N 0.95 1.65 -0.12 1.54 3.00 0.06 -0.05 118.95 125.99 2k0r s ARG 29 Ca -0.10 -0.46 0.02 0.00 -1.00 0.00 0.00 55.73 54.19 2k0r s ARG 29 Cb -0.15 -1.39 0.02 0.00 0.00 0.00 0.00 34.95 33.42 2k0r s ARG 29 CO 0.00 0.09 -0.16 -0.59 0.00 0.00 0.00 175.30 174.64 2k0r s PHE 30 N 0.44 2.16 -0.33 5.12 -0.71 -0.05 0.21 117.98 124.82 2k0r s PHE 30 Ca -0.11 -1.08 -0.23 0.00 -1.04 0.00 0.00 56.93 54.48 2k0r s PHE 30 Cb -0.14 -1.54 0.00 0.00 -1.21 0.00 0.00 43.02 40.13 2k0r s PHE 30 CO 0.03 -0.55 0.75 1.03 -1.34 0.00 0.00 175.22 175.14 2k0r s ARG 31 N 1.06 3.85 0.05 1.99 0.52 -0.59 -3.10 118.95 122.72 2k0r s ARG 31 Ca -0.04 0.39 -0.05 0.00 -0.52 0.00 0.00 55.73 55.51 2k0r s ARG 31 Cb -0.15 -3.77 -0.05 0.00 0.52 0.00 0.00 34.95 31.51 2k0r s ARG 31 CO -0.04 -0.74 0.29 0.42 0.02 0.00 0.00 175.30 175.25 2k0r s ILE 32 N 2.94 5.28 0.57 1.52 1.01 0.94 -0.25 121.20 133.22 2k0r s ILE 32 Ca 0.30 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 2k0r s ILE 32 Cb -0.14 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2k0r s ILE 32 CO 0.14 0.26 1.25 0.00 0.00 0.00 0.00 174.94 176.59 2k0r s ALA 33 N -1.41 2.64 0.04 9.38 0.00 0.69 -4.17 121.76 128.93 2k0r s ALA 33 Ca 0.32 1.10 0.29 0.00 0.00 0.00 0.00 51.96 53.67 2k0r s ALA 33 Cb -0.13 -3.48 1.53 0.00 0.00 0.00 0.00 23.12 21.04 2k0r s ALA 33 CO 0.20 -1.20 1.89 0.22 0.00 0.00 0.00 175.76 176.86 2k0r h ASP 34 N 1.12 0.00 -0.43 0.00 1.82 -1.78 0.30 116.42 117.44 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2k0r h ASP 34 Cb 1.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.80 2k0r n GLY 35 N -1.04 1.48 3.28 -0.78 0.00 -1.26 -4.74 105.19 102.12 2k0r n GLY 35 Ca -0.01 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.43 1.38 -0.23 1.61 2.02 0.09 -0.95 117.35 119.84 2k0r s TYR 36 Ca 0.38 -0.75 -0.16 0.00 -0.37 0.00 0.00 57.07 56.17 2k0r s TYR 36 Cb 0.21 -0.71 0.07 0.00 -0.40 0.00 0.00 41.96 41.13 2k0r s TYR 36 CO 0.29 0.11 0.58 1.52 -1.57 0.00 0.00 175.55 176.48 2k0r s TYR 37 N -3.28 -0.79 0.06 2.71 -0.85 0.90 -4.61 117.35 111.49 2k0r s TYR 37 Ca 0.19 1.71 0.07 0.00 -0.52 0.00 0.00 57.07 58.52 2k0r s TYR 37 Cb 0.02 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2k0r s TYR 37 CO 0.03 -0.40 -0.14 -1.64 -1.52 0.00 0.00 175.55 171.87 2k0r s MET 38 N 1.08 2.11 0.02 -3.49 -1.94 -1.09 0.21 119.30 116.20 2k0r s MET 38 Ca -0.06 -0.99 -0.26 0.00 -1.71 0.00 0.00 55.69 52.67 2k0r s MET 38 Cb -0.06 -2.25 -0.05 0.00 2.01 0.00 0.00 34.83 34.48 2k0r s MET 38 CO -0.10 0.53 0.81 0.71 -0.01 0.00 0.00 175.02 176.96 2k0r s TYR 39 N -1.05 3.70 0.23 -0.03 2.02 -1.21 -1.28 117.35 119.73 2k0r s TYR 39 Ca 0.17 1.50 -0.07 0.00 -0.37 0.00 0.00 57.07 58.30 2k0r s TYR 39 Cb -0.11 -2.89 0.39 0.00 -0.40 0.00 0.00 41.96 38.95 2k0r s TYR 39 CO 0.09 0.18 1.68 0.37 -1.57 0.00 0.00 175.55 176.31 2k0r h GLN 40 N 6.04 0.23 -0.03 -0.62 -0.00 -0.60 0.34 115.11 120.48 2k0r h GLN 40 Ca -0.43 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.19 2k0r h GLN 40 Cb 1.21 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.63 2k0r h GLN 40 CO 0.72 0.15 -0.05 0.00 0.00 0.00 0.00 178.83 179.65 2k0r h ALA 41 N 1.57 1.86 0.00 3.38 0.00 -1.93 -1.45 119.26 122.69 2k0r h ALA 41 Ca 0.37 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2k0r h ALA 41 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k0r h ALA 41 CO -0.49 0.11 -0.64 0.87 0.00 0.00 0.00 179.25 179.10 2k0r h LYS 42 N 0.04 0.00 -6.78 0.00 1.79 -0.68 -3.45 116.57 107.50 2k0r h LYS 42 Ca 0.01 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.96 2k0r h LYS 42 Cb 0.12 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.83 2k0r h LYS 42 CO 0.01 0.64 0.68 0.42 -1.08 0.00 0.00 179.45 180.12 2k0r s ILE 43 N -3.26 2.84 -0.01 1.86 -1.09 -0.43 -4.41 121.20 116.70 2k0r s ILE 43 Ca 0.01 0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 59.15 2k0r s ILE 43 Cb 0.11 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2k0r s ILE 43 CO 0.75 0.14 0.04 -0.69 -1.23 0.00 0.00 174.94 173.95 2k0r s VAL 44 N -0.40 0.02 -0.30 2.92 1.01 0.19 -4.96 120.40 118.89 2k0r s VAL 44 Ca 0.55 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 2k0r s VAL 44 Cb -0.40 -0.13 0.17 0.00 0.00 0.00 0.00 36.38 36.02 2k0r s VAL 44 CO 0.45 -0.11 0.83 -0.83 0.00 0.00 0.00 175.10 175.45 2k0r s GLY 45 N -0.31 -0.53 0.01 4.51 0.00 -1.24 -0.48 107.32 109.27 2k0r s GLY 45 Ca -0.04 2.56 0.01 0.00 0.00 0.00 0.00 44.72 47.25 2k0r s GLY 45 CO -0.00 3.34 -0.03 -1.59 0.00 0.00 0.00 173.10 174.83 2k0r s LYS 46 N 2.74 0.23 -0.06 2.90 0.00 -0.34 -4.79 119.74 120.43 2k0r s LYS 46 Ca 0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 55.97 55.69 2k0r s LYS 46 Cb -0.10 -0.10 0.04 0.00 0.00 0.00 0.00 37.83 37.66 2k0r s LYS 46 CO -0.17 0.02 0.10 -0.08 0.00 0.00 0.00 175.35 175.22 2k0r s THR 47 N -0.55 -0.17 -0.28 3.79 -1.32 -1.26 -0.01 115.64 115.84 2k0r s THR 47 Ca -0.05 0.39 -0.38 0.00 -1.21 0.00 0.00 61.69 60.44 2k0r s THR 47 Cb -0.04 -0.21 0.16 0.00 -1.51 0.00 0.00 72.50 70.90 2k0r s THR 47 CO -0.00 0.16 1.38 0.54 -2.21 0.00 0.00 174.62 174.49 2k0r s ASN 48 N 2.17 -0.01 0.10 8.08 2.20 -0.31 -4.44 114.94 122.73 2k0r s ASN 48 Ca 0.04 -0.00 0.18 0.00 -0.94 0.00 0.00 52.86 52.13 2k0r s ASN 48 Cb -0.12 0.01 0.74 0.00 -2.00 0.00 0.00 41.25 39.89 2k0r s ASN 48 CO -0.04 -0.02 1.55 -0.81 -2.94 0.00 0.00 177.10 174.83 2k0r n PRO 49 N -0.03 0.07 0.00 3.55 -0.04 -1.26 -1.72 135.00 135.57 2k0r n PRO 49 Ca 0.05 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2k0r n PRO 49 Cb 0.57 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.60 0.00 0.00 0.55 0.00 -1.26 -4.84 120.51 113.35 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 -0.25 0.00 0.00 0.00 177.50 177.25 2k0r n ASP 51 N -2.01 0.00 -0.12 0.00 8.00 -1.26 -5.03 116.55 116.12 2k0r n ASP 51 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2k0r n ASP 51 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 2k0r n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k0r n LEU 52 N 0.00 2.34 -4.51 0.64 4.77 -1.26 -4.99 117.00 114.00 2k0r n LEU 52 Ca 0.00 -0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.48 2k0r n LEU 52 Cb 0.00 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.52 2k0r n LEU 52 CO 0.00 0.83 0.22 -0.11 -1.33 0.00 0.00 177.39 177.00 2k0r n LEU 53 N -3.13 1.25 0.00 2.23 7.94 -1.26 -3.87 117.00 120.15 2k0r n LEU 53 Ca -0.42 0.84 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2k0r n LEU 53 Cb 1.01 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.75 2k0r n LEU 53 CO 0.29 -2.59 0.00 0.61 -1.11 0.00 0.00 177.39 174.59 2k0r n GLY 54 N 1.62 0.31 3.07 -3.96 0.00 -1.10 -4.74 105.19 100.38 2k0r n GLY 54 Ca 0.11 0.00 -0.09 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 0.55 0.63 1.61 0.00 -1.26 -5.02 119.66 116.16 2k0r s GLN 55 Ca 0.00 -1.02 -0.16 0.00 -0.00 0.00 0.00 55.36 54.18 2k0r s GLN 55 Cb 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 33.01 33.07 2k0r s GLN 55 CO 0.00 -0.07 1.11 -1.25 0.00 0.00 0.00 175.29 175.09 2k0r s PRO 56 N -2.99 2.96 -0.46 9.60 0.04 -1.26 -4.21 135.00 138.68 2k0r s PRO 56 Ca -0.00 1.45 0.07 0.00 0.04 0.00 0.00 61.00 62.56 2k0r s PRO 56 Cb 0.01 -1.97 0.24 0.00 0.04 0.00 0.00 34.50 32.83 2k0r s PRO 56 CO -0.06 -1.13 0.57 0.43 0.04 0.00 0.00 177.00 176.85 2k0r n SER 57 N -2.10 1.15 -4.75 6.66 7.64 0.14 -4.93 113.62 117.42 2k0r n SER 57 Ca 0.11 -2.89 -0.41 0.00 1.01 0.00 0.00 58.87 56.69 2k0r n SER 57 Cb 0.52 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 2k0r n SER 57 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2k0r s PHE 58 N -1.47 3.42 0.35 1.43 -0.12 -1.26 -1.17 117.98 119.15 2k0r s PHE 58 Ca 0.36 1.52 -0.29 0.00 -0.05 0.00 0.00 56.93 58.48 2k0r s PHE 58 Cb 0.15 -3.42 -0.11 0.00 -0.63 0.00 0.00 43.02 39.01 2k0r s PHE 58 CO -0.09 -1.09 1.45 0.45 -0.05 0.00 0.00 175.22 175.90 2k0r s SER 59 N -0.37 6.46 -0.65 1.98 0.15 -0.47 -4.85 113.70 115.96 2k0r s SER 59 Ca 0.49 2.93 -0.26 0.00 0.70 0.00 0.00 55.95 59.81 2k0r s SER 59 Cb -0.34 -2.66 -0.09 0.00 -1.71 0.00 0.00 66.02 61.23 2k0r s SER 59 CO 0.41 -0.79 2.31 -0.75 1.20 0.00 0.00 173.24 175.62 2k0r s LYS 60 N -1.74 2.00 0.00 5.44 2.47 -1.26 -4.91 119.74 121.74 2k0r s LYS 60 Ca 0.53 0.83 0.00 0.00 -1.56 0.00 0.00 55.97 55.77 2k0r s LYS 60 Cb -0.45 -4.68 0.00 0.00 -1.46 0.00 0.00 37.83 31.24 2k0r s LYS 60 CO 0.58 -3.68 0.00 0.41 0.16 0.00 0.00 175.35 172.82 2k0r n GLY 61 N 6.35 -1.97 3.54 5.54 0.00 -1.26 -4.99 105.19 112.40 2k0r n GLY 61 Ca 0.39 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 3.78 -0.08 1.61 2.02 -0.05 -4.83 118.70 121.15 2k0r s GLU 62 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 2k0r s GLU 62 Cb 0.00 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2k0r s GLU 62 CO 0.00 0.17 1.01 -2.00 0.02 0.00 0.00 175.26 174.46 2k0r s GLU 63 N 0.60 4.45 0.04 1.61 -6.30 -1.26 -0.76 118.70 117.08 2k0r s GLU 63 Ca 0.01 1.41 -0.08 0.00 -2.50 0.00 0.00 54.97 53.80 2k0r s GLU 63 Cb -0.14 -3.52 -0.00 0.00 0.00 0.00 0.00 34.13 30.47 2k0r s GLU 63 CO 0.02 -0.26 0.16 -1.59 0.02 0.00 0.00 175.26 173.61 2k0r s LYS 64 N 1.79 0.66 -0.13 4.30 0.00 -0.53 -4.97 119.74 120.85 2k0r s LYS 64 Ca 0.49 -0.67 -0.00 0.00 0.00 0.00 0.00 55.97 55.79 2k0r s LYS 64 Cb -0.19 0.27 -0.02 0.00 0.00 0.00 0.00 37.83 37.89 2k0r s LYS 64 CO 0.20 -0.18 -0.11 -1.21 0.00 0.00 0.00 175.35 174.05 2k0r s GLU 65 N -2.58 3.36 0.00 1.78 8.01 -1.26 -1.24 118.70 126.77 2k0r s GLU 65 Ca -0.05 -0.65 0.00 0.00 0.01 0.00 0.00 54.97 54.28 2k0r s GLU 65 Cb -0.01 -2.66 0.00 0.00 -4.31 0.00 0.00 34.13 27.15 2k0r s GLU 65 CO -0.04 0.26 0.00 -3.47 0.01 0.00 0.00 175.26 172.02 2k0r n ASP 66 N 3.41 0.00 -0.29 -0.19 2.03 -0.44 -4.91 116.55 116.15 2k0r n ASP 66 Ca -0.18 -0.86 0.06 0.00 0.52 0.00 0.00 54.79 54.33 2k0r n ASP 66 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 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 1.83 -0.02 -0.67 0.00 -1.26 -2.55 120.64 117.97 2k0r n GLU 67 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 57.16 56.57 2k0r n GLU 67 Cb 0.00 -1.15 0.46 0.00 0.00 0.00 0.00 31.44 30.75 2k0r n GLU 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2k0r n PHE 68 N -0.12 0.04 0.00 -1.84 3.01 -1.26 -4.68 117.46 112.62 2k0r n PHE 68 Ca 0.05 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2k0r n PHE 68 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 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 0.32 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 111.00 2k0r n PHE 69 Ca 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.07 2k0r n PHE 69 Cb 0.38 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.38 2k0r n PHE 69 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k0r n GLY 70 N -0.38 0.28 3.45 4.97 0.00 -1.06 -4.90 105.19 107.55 2k0r n GLY 70 Ca 0.00 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 3.15 0.24 1.61 3.00 -1.26 -1.33 118.95 124.37 2k0r s ARG 71 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 55.73 54.80 2k0r s ARG 71 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 34.95 30.79 2k0r s ARG 71 CO 0.00 -1.55 0.49 -1.14 0.00 0.00 0.00 175.30 173.10 2k0r s GLN 72 N 3.46 1.53 0.10 3.54 2.00 -0.38 -4.94 119.66 124.97 2k0r s GLN 72 Ca 0.21 -1.19 -0.25 0.00 -2.00 0.00 0.00 55.36 52.12 2k0r s GLN 72 Cb -0.18 0.48 -0.07 0.00 0.80 0.00 0.00 33.01 34.05 2k0r s GLN 72 CO 0.12 -0.64 0.78 0.99 -0.50 0.00 0.00 175.29 176.04 2k0r s THR 73 N -3.99 4.55 0.25 -0.34 2.01 -1.26 -1.46 115.64 115.40 2k0r s THR 73 Ca 0.20 1.69 0.02 0.00 0.31 0.00 0.00 61.69 63.91 2k0r s THR 73 Cb -0.01 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2k0r s THR 73 CO 0.07 0.44 0.19 0.68 -0.69 0.00 0.00 174.62 175.31 2k0r s VAL 74 N -0.56 0.00 -0.06 3.82 -7.23 0.06 0.19 120.40 116.62 2k0r s VAL 74 Ca 0.38 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 2k0r s VAL 74 Cb -0.22 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 2k0r s VAL 74 CO 0.25 0.00 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.49 2k0r s TYR 75 N -3.87 2.48 -1.35 2.82 2.02 -0.41 -0.87 117.35 118.16 2k0r s TYR 75 Ca 0.40 -0.69 0.19 0.00 -0.37 0.00 0.00 57.07 56.59 2k0r s TYR 75 Cb 0.05 -1.62 -0.09 0.00 -0.40 0.00 0.00 41.96 39.90 2k0r s TYR 75 CO 0.18 -0.19 0.88 -2.39 -1.57 0.00 0.00 175.55 172.46 2k0r n HIS 76 N 2.95 0.00 0.02 2.71 1.44 -1.26 -2.67 115.22 118.40 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 -0.68 -1.35 -3.18 -1.40 -0.00 -1.26 -4.16 115.22 103.19 2k0r n HIS 77 Ca 0.06 0.13 -0.39 0.00 -0.00 0.00 0.00 57.72 57.52 2k0r n HIS 77 Cb 0.35 0.51 -0.05 0.00 -0.00 0.00 0.00 29.99 30.79 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 4.36 -0.36 1.57 -1.05 -1.26 -0.04 118.70 119.91 2k0r s GLU 78 Ca 0.00 0.72 0.07 0.00 -0.15 0.00 0.00 54.97 55.60 2k0r s GLU 78 Cb 0.00 -3.39 0.18 0.00 -0.44 0.00 0.00 34.13 30.48 2k0r s GLU 78 CO 0.00 0.24 0.58 0.00 0.95 0.00 0.00 175.26 177.03 2k0r s ALA 79 N 0.25 -2.14 0.07 -0.84 0.00 -1.18 -4.72 121.76 113.20 2k0r s ALA 79 Ca 0.32 0.37 0.09 0.00 0.00 0.00 0.00 51.96 52.74 2k0r s ALA 79 Cb -0.17 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 2k0r s ALA 79 CO 0.16 -2.06 -0.24 -1.14 0.00 0.00 0.00 175.76 172.48 2k0r s GLN 80 N 2.16 1.50 -0.00 0.00 0.74 -1.26 -0.87 119.66 121.92 2k0r s GLN 80 Ca 0.14 -1.11 0.04 0.00 0.05 0.00 0.00 55.36 54.48 2k0r s GLN 80 Cb -0.07 -1.73 -0.01 0.00 1.10 0.00 0.00 33.01 32.29 2k0r s GLN 80 CO -0.14 0.43 -0.13 0.08 -0.55 0.00 0.00 175.29 174.98 2k0r s VAL 81 N -0.90 1.03 -0.16 1.34 1.01 0.93 -1.37 120.40 122.28 2k0r s VAL 81 Ca 0.10 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2k0r s VAL 81 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2k0r s VAL 81 CO 0.03 0.25 0.04 0.00 0.00 0.00 0.00 175.10 175.43 2k0r s ALA 82 N -0.37 3.36 -0.73 5.51 0.00 -0.32 -1.70 121.76 127.51 2k0r s ALA 82 Ca 0.05 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2k0r s ALA 82 Cb -0.05 -1.82 0.18 0.00 0.00 0.00 0.00 23.12 21.42 2k0r s ALA 82 CO -0.00 0.25 0.54 -0.06 0.00 0.00 0.00 175.76 176.49 2k0r s PHE 83 N 0.15 3.60 0.22 0.00 0.08 0.13 0.25 117.98 122.42 2k0r s PHE 83 Ca 0.04 -3.19 -0.30 0.00 0.12 0.00 0.00 56.93 53.60 2k0r s PHE 83 Cb -0.12 -2.91 -0.09 0.00 -0.57 0.00 0.00 43.02 39.33 2k0r s PHE 83 CO 0.01 -0.64 1.29 -1.25 -0.10 0.00 0.00 175.22 174.52 2k0r s PRO 84 N -1.18 4.41 0.41 0.24 0.04 -1.26 -1.19 135.00 136.46 2k0r s PRO 84 Ca 0.24 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.08 2k0r s PRO 84 Cb -0.09 -3.18 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 2k0r s PRO 84 CO -0.12 -0.21 1.12 0.71 0.04 0.00 0.00 177.00 178.54 2k0r s TYR 85 N -0.13 3.12 -0.06 0.56 2.02 -1.20 -2.70 117.35 118.96 2k0r s TYR 85 Ca 0.55 1.59 0.20 0.00 -0.37 0.00 0.00 57.07 59.03 2k0r s TYR 85 Cb -0.36 -3.29 -0.30 0.00 -0.40 0.00 0.00 41.96 37.61 2k0r s TYR 85 CO 0.40 -1.07 0.37 0.00 -1.57 0.00 0.00 175.55 173.68 2k0r n ALA 86 N -0.06 2.49 -3.24 3.71 0.00 -1.25 -4.65 120.51 117.51 2k0r n ALA 86 Ca 0.05 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2k0r n ALA 86 Cb 0.48 -0.58 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.21 0.43 0.13 0.00 -0.14 -1.26 -4.96 119.74 110.73 2k0r s LYS 87 Ca -0.08 0.43 -0.35 0.00 -1.36 0.00 0.00 55.97 54.61 2k0r s LYS 87 Cb 0.11 0.21 -0.15 0.00 -1.68 0.00 0.00 37.83 36.32 2k0r s LYS 87 CO 0.83 -0.06 1.45 0.00 -0.76 0.00 0.00 175.35 176.81 2k0r n ALA 88 N 2.74 0.19 -3.40 5.17 0.00 -1.26 -4.97 120.51 118.99 2k0r n ALA 88 Ca -0.14 0.48 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 2k0r n ALA 88 Cb 0.57 -2.21 -0.16 0.00 0.00 0.00 0.00 19.45 17.66 2k0r n ALA 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2k0r s VAL 89 N 0.66 0.28 -0.62 0.00 -7.23 -1.26 -5.02 120.40 107.21 2k0r s VAL 89 Ca 0.81 -0.03 0.10 0.00 -1.81 0.00 0.00 61.98 61.05 2k0r s VAL 89 Cb -0.81 -0.32 -0.06 0.00 0.56 0.00 0.00 36.38 35.75 2k0r s VAL 89 CO 0.43 0.14 0.49 0.61 -0.31 0.00 0.00 175.10 176.45 2k0r n GLY 90 N 3.74 0.01 3.98 2.32 0.00 -1.26 -5.02 105.19 108.97 2k0r n GLY 90 Ca -0.22 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.68 3.21 0.52 1.61 2.02 -1.26 -5.09 118.70 118.03 2k0r s GLU 91 Ca 0.05 -0.91 -0.21 0.00 0.02 0.00 0.00 54.97 53.93 2k0r s GLU 91 Cb 0.07 -2.83 -0.06 0.00 0.10 0.00 0.00 34.13 31.41 2k0r s GLU 91 CO 0.33 0.15 1.14 -1.25 0.02 0.00 0.00 175.26 175.65 2k0r s PRO 92 N -4.14 3.48 0.30 0.39 0.04 -1.26 -4.97 135.00 128.84 2k0r s PRO 92 Ca 0.42 1.66 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2k0r s PRO 92 Cb -0.09 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2k0r s PRO 92 CO 0.31 -0.75 0.01 1.52 0.04 0.00 0.00 177.00 178.13 2k0r s TYR 93 N -1.70 1.91 -0.06 0.56 1.13 -0.65 -4.61 117.35 113.94 2k0r s TYR 93 Ca 0.70 -0.86 -0.03 0.00 -1.41 0.00 0.00 57.07 55.47 2k0r s TYR 93 Cb -0.25 -1.18 -0.04 0.00 -1.10 0.00 0.00 41.96 39.39 2k0r s TYR 93 CO 0.29 0.10 0.09 0.21 -2.51 0.00 0.00 175.55 173.73 2k0r s LYS 94 N -3.83 3.19 0.02 -3.49 2.36 -0.70 -1.28 119.74 116.02 2k0r s LYS 94 Ca 0.33 -0.34 0.06 0.00 -2.55 0.00 0.00 55.97 53.47 2k0r s LYS 94 Cb 0.07 -2.96 -0.03 0.00 -1.05 0.00 0.00 37.83 33.85 2k0r s LYS 94 CO 0.13 0.71 -0.15 -1.17 1.55 0.00 0.00 175.35 176.42 2k0r s LEU 95 N -1.31 2.77 -0.14 5.43 0.20 0.89 -1.16 118.68 125.36 2k0r s LEU 95 Ca 0.18 -0.33 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 2k0r s LEU 95 Cb -0.12 -1.61 0.05 0.00 -0.43 0.00 0.00 46.19 44.09 2k0r s LEU 95 CO 0.08 0.27 0.09 -0.69 -0.29 0.00 0.00 176.35 175.81 2k0r s VAL 96 N -0.93 -0.10 -0.03 1.68 1.01 0.99 -0.91 120.40 122.10 2k0r s VAL 96 Ca 0.15 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.19 2k0r s VAL 96 Cb -0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 2k0r s VAL 96 CO 0.06 -0.16 -0.23 -0.76 0.00 0.00 0.00 175.10 174.01 2k0r s LEU 97 N 2.15 2.22 -0.06 3.92 1.43 0.27 -1.20 118.68 127.42 2k0r s LEU 97 Ca 0.03 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2k0r s LEU 97 Cb -0.15 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.70 2k0r s LEU 97 CO -0.08 0.31 -0.03 -0.89 0.23 0.00 0.00 176.35 175.89 2k0r s THR 98 N -0.55 0.53 -0.04 5.49 2.01 0.37 -0.07 115.64 123.38 2k0r s THR 98 Ca 0.08 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2k0r s THR 98 Cb -0.11 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 2k0r s THR 98 CO 0.00 0.25 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.66 2k0r s TYR 99 N 1.30 2.00 -0.21 4.92 2.02 -0.53 -0.64 117.35 126.21 2k0r s TYR 99 Ca -0.05 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.02 2k0r s TYR 99 Cb -0.14 -1.32 0.08 0.00 -0.40 0.00 0.00 41.96 40.19 2k0r s TYR 99 CO -0.02 -0.15 0.49 -1.14 -1.57 0.00 0.00 175.55 173.16 2k0r s GLN 100 N -0.16 0.44 0.00 -0.62 2.00 -1.26 -0.52 119.66 119.54 2k0r s GLN 100 Ca -0.01 1.03 0.00 0.00 -2.00 0.00 0.00 55.36 54.38 2k0r s GLN 100 Cb -0.11 0.24 0.00 0.00 0.80 0.00 0.00 33.01 33.93 2k0r s GLN 100 CO 0.02 -0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.02 2k0r n GLY 101 N 4.81 3.44 3.27 2.59 0.00 -1.26 -3.31 105.19 114.74 2k0r n GLY 101 Ca -0.16 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 1.61 0.81 -0.03 1.61 0.01 0.13 -3.76 113.70 114.08 2k0r s SER 102 Ca 0.00 -1.42 -0.15 0.00 1.31 0.00 0.00 55.95 55.70 2k0r s SER 102 Cb 0.00 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.47 2k0r s SER 102 CO 0.00 -0.80 0.39 0.00 0.41 0.00 0.00 173.24 173.24 2k0r s ALA 103 N -3.90 3.68 0.63 1.44 0.00 0.92 -0.07 121.76 124.45 2k0r s ALA 103 Ca 0.38 -0.26 0.32 0.00 0.00 0.00 0.00 51.96 52.41 2k0r s ALA 103 Cb 0.07 -2.39 1.80 0.00 0.00 0.00 0.00 23.12 22.60 2k0r s ALA 103 CO 0.14 0.41 2.10 0.93 0.00 0.00 0.00 175.76 179.34 2k0r h GLU 104 N 5.06 0.00 0.00 0.00 5.08 -1.35 0.18 114.58 123.54 2k0r h GLU 104 Ca -0.50 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.73 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2k0r h GLU 104 CO 0.64 0.00 -0.60 0.00 -1.00 0.00 0.00 179.01 178.04 2k0r h ALA 105 N 1.68 0.89 0.00 3.43 0.00 -1.93 -3.47 119.26 119.86 2k0r h ALA 105 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2k0r h ALA 105 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 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 0.42 0.90 3.26 0.00 0.00 0.62 -5.15 105.19 105.24 2k0r n GLY 106 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.88 1.75 -0.22 1.61 1.01 -1.17 -4.94 120.40 117.56 2k0r s VAL 107 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2k0r s VAL 107 Cb 0.00 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.93 2k0r s VAL 107 CO 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 175.10 175.29 2k0r s TYR 109 N 1.22 2.91 0.80 0.00 1.13 -1.25 -5.06 117.35 117.09 2k0r s TYR 109 Ca -0.02 -0.16 -0.11 0.00 -1.41 0.00 0.00 57.07 55.38 2k0r s TYR 109 Cb -0.16 -1.32 0.07 0.00 -1.10 0.00 0.00 41.96 39.45 2k0r s TYR 109 CO -0.09 0.56 1.09 -1.25 -2.51 0.00 0.00 175.55 173.35 2k0r s PRO 110 N -3.63 2.06 0.59 -3.49 0.04 -1.26 -4.61 135.00 124.70 2k0r s PRO 110 Ca 0.31 1.10 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 2k0r s PRO 110 Cb -0.08 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2k0r s PRO 110 CO 0.22 -1.76 1.12 -1.25 0.04 0.00 0.00 177.00 175.37 2k0r s PRO 111 N -4.91 3.12 -0.21 0.56 0.04 -1.26 -4.82 135.00 127.52 2k0r s PRO 111 Ca 0.62 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2k0r s PRO 111 Cb -0.17 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2k0r s PRO 111 CO 0.56 -1.02 -0.08 0.08 0.04 0.00 0.00 177.00 176.58 2k0r s VAL 112 N -2.02 1.61 -0.13 -0.36 1.01 0.32 -4.99 120.40 115.85 2k0r s VAL 112 Ca 0.70 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 2k0r s VAL 112 Cb -0.22 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2k0r s VAL 112 CO 0.33 0.06 0.12 1.51 0.00 0.00 0.00 175.10 177.12 2k0r s ASP 113 N 1.39 6.21 -0.10 3.32 -4.77 -1.26 -1.46 116.67 119.99 2k0r s ASP 113 Ca -0.03 0.38 -0.04 0.00 -3.30 0.00 0.00 52.55 49.56 2k0r s ASP 113 Cb -0.17 -2.00 0.05 0.00 -1.09 0.00 0.00 42.92 39.70 2k0r s ASP 113 CO -0.07 0.36 0.21 -0.89 0.70 0.00 0.00 175.17 175.49 2k0r s THR 114 N -0.76 -0.16 -0.06 2.11 2.01 0.90 -5.00 115.64 114.68 2k0r s THR 114 Ca 0.13 0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.33 2k0r s THR 114 Cb -0.12 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 2k0r s THR 114 CO 0.03 0.09 0.04 -1.61 -0.69 0.00 0.00 174.62 172.48 2k0r s GLU 115 N 1.66 3.06 -0.09 4.92 8.01 -1.26 -0.56 118.70 134.44 2k0r s GLU 115 Ca -0.05 -0.40 0.03 0.00 0.01 0.00 0.00 54.97 54.56 2k0r s GLU 115 Cb -0.11 -2.86 0.01 0.00 -4.31 0.00 0.00 34.13 26.85 2k0r s GLU 115 CO -0.08 0.70 -0.17 -0.06 0.01 0.00 0.00 175.26 175.66 2k0r s PHE 116 N -1.00 1.98 -0.35 1.61 0.08 -0.09 -4.95 117.98 115.26 2k0r s PHE 116 Ca 0.16 -0.83 -0.24 0.00 0.12 0.00 0.00 56.93 56.14 2k0r s PHE 116 Cb -0.12 -1.39 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 2k0r s PHE 116 CO 0.06 -0.39 0.84 -0.51 -0.10 0.00 0.00 175.22 175.12 2k0r s ASP 117 N 0.66 6.63 -0.23 1.36 1.11 -1.26 -0.08 116.67 124.85 2k0r s ASP 117 Ca -0.13 0.51 -0.14 0.00 0.18 0.00 0.00 52.55 52.96 2k0r s ASP 117 Cb -0.16 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2k0r s ASP 117 CO 0.04 -0.75 0.34 -0.63 1.18 0.00 0.00 175.17 175.35 2k0r s ILE 118 N 3.20 5.22 -0.01 0.77 -1.09 -0.41 -4.89 121.20 124.00 2k0r s ILE 118 Ca 0.34 0.55 0.07 0.00 -2.23 0.00 0.00 60.65 59.39 2k0r s ILE 118 Cb -0.13 -3.67 0.12 0.00 -1.58 0.00 0.00 42.46 37.20 2k0r s ILE 118 CO 0.16 0.23 1.05 2.22 -1.23 0.00 0.00 174.94 177.38 2k0r n PHE 119 N 4.76 -0.02 -0.34 3.97 1.16 -1.26 -1.63 117.46 124.10 2k0r n PHE 119 Ca -0.10 -0.52 0.00 0.00 -1.87 0.00 0.00 57.45 54.96 2k0r n PHE 119 Cb 0.51 0.34 0.00 0.00 -1.61 0.00 0.00 39.48 38.72 2k0r n PHE 119 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0r n GLY 120 N 0.11 -0.40 0.00 4.97 0.00 -1.26 -4.99 105.19 103.61 2k0r n GLY 120 Ca -0.19 -0.81 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 -5.07 115.26 115.69 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k0r n ASN 121 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k0r n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k0r n GLY 122 N -0.56 1.95 3.75 8.20 0.00 -1.26 -4.96 105.19 112.30 2k0r n GLY 122 Ca 0.00 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 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 5.02 0.01 2.61 2.01 -1.26 -1.01 115.64 123.03 2k0r s THR 123 Ca 0.00 1.17 0.00 0.00 0.31 0.00 0.00 61.69 63.17 2k0r s THR 123 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2k0r s THR 123 CO 0.00 0.37 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.96 2k0r s TYR 124 N 0.19 0.20 0.03 4.92 1.51 -1.19 -4.98 117.35 118.03 2k0r s TYR 124 Ca 0.30 -0.33 -0.08 0.00 -1.01 0.00 0.00 57.07 55.95 2k0r s TYR 124 Cb -0.17 -0.14 -0.00 0.00 -0.11 0.00 0.00 41.96 41.54 2k0r s TYR 124 CO 0.15 -0.11 0.16 -1.01 -1.11 0.00 0.00 175.55 173.62 2k0r s HIS 125 N -0.92 0.08 0.13 2.71 3.76 -1.26 -2.56 115.29 117.23 2k0r s HIS 125 Ca -0.10 -0.27 -0.31 0.00 -0.15 0.00 0.00 55.06 54.23 2k0r s HIS 125 Cb -0.06 -0.06 -0.08 0.00 1.11 0.00 0.00 32.58 33.49 2k0r s HIS 125 CO -0.01 -0.37 1.35 -1.25 -0.85 0.00 0.00 174.74 173.62 2k0r s PRO 126 N -2.17 4.35 -0.63 8.40 0.04 -1.26 -4.92 135.00 138.81 2k0r s PRO 126 Ca -0.08 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 62.94 2k0r s PRO 126 Cb -0.03 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2k0r s PRO 126 CO -0.02 -0.37 2.94 1.04 0.04 0.00 0.00 177.00 180.63 2k0r n GLN 127 N 3.59 2.87 0.00 4.56 6.02 -1.26 -5.20 117.38 127.97 2k0r n GLN 127 Ca 0.10 -2.21 0.01 0.00 -0.01 0.00 0.00 57.00 54.89 2k0r n GLN 127 Cb 0.43 -2.27 0.01 0.00 1.02 0.00 0.00 30.24 29.42 2k0r n GLN 127 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30