#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 1.24 -1.69 3.17 0.00 -1.26 -4.83 120.51 117.14 2k0r n ALA 2 Ca 0.00 -1.10 -0.24 0.00 0.00 0.00 0.00 53.44 52.10 2k0r n ALA 2 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 2k0r n ALA 2 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2k0r s LEU 3 N -7.38 3.11 0.00 0.00 0.05 -1.26 -1.85 118.68 111.35 2k0r s LEU 3 Ca -0.38 0.25 0.00 0.00 0.05 0.00 0.00 54.13 54.05 2k0r s LEU 3 Cb 0.14 -2.54 0.00 0.00 -2.05 0.00 0.00 46.19 41.75 2k0r s LEU 3 CO 0.50 -3.27 0.36 -0.67 -0.55 0.00 0.00 176.35 172.72 2k0r n ASP 4 N 16.56 -0.36 -0.27 1.48 -0.08 -1.26 -5.02 116.55 127.60 2k0r n ASP 4 Ca 0.40 -0.72 0.00 0.00 -1.51 0.00 0.00 54.79 52.96 2k0r n ASP 4 Cb 0.48 0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.05 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 0.00 0.00 -1.66 -1.67 0.00 -1.26 -4.79 120.51 111.13 2k0r n ALA 5 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 2k0r n ALA 5 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 2k0r n ALA 5 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2k0r n ASN 6 N -3.54 -4.60 0.00 0.00 5.15 -1.26 -1.72 115.26 109.29 2k0r n ASN 6 Ca 0.00 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 2k0r n ASN 6 Cb 0.00 -3.46 0.00 0.00 -0.53 0.00 0.00 39.78 35.79 2k0r n ASN 6 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2k0r n ASP 7 N -0.40 0.00 0.19 1.20 5.75 -1.26 -4.82 116.55 117.21 2k0r n ASP 7 Ca -0.15 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.77 2k0r n ASP 7 Cb 0.51 -0.91 0.61 0.00 -1.03 0.00 0.00 41.12 40.30 2k0r n ASP 7 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2k0r h LEU 8 N 0.00 0.00 -9.73 -2.12 5.85 -1.56 -3.43 115.31 104.32 2k0r h LEU 8 Ca 0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 2k0r h LEU 8 Cb 0.00 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2k0r h LEU 8 CO 0.00 0.00 -0.58 -1.48 -0.34 0.00 0.00 178.44 176.04 2k0r s LEU 9 N -5.00 3.56 0.88 2.25 0.05 -0.77 -4.37 118.68 115.29 2k0r s LEU 9 Ca 0.02 -0.37 -0.11 0.00 0.05 0.00 0.00 54.13 53.71 2k0r s LEU 9 Cb 0.09 -2.12 0.12 0.00 -2.05 0.00 0.00 46.19 42.23 2k0r s LEU 9 CO 0.39 0.00 1.09 -2.16 -0.55 0.00 0.00 176.35 175.13 2k0r s PRO 10 N -3.58 1.36 0.48 1.48 0.04 -1.26 -4.85 135.00 128.67 2k0r s PRO 10 Ca 0.31 0.86 0.31 0.00 0.04 0.00 0.00 61.00 62.53 2k0r s PRO 10 Cb -0.08 -1.82 1.30 0.00 0.04 0.00 0.00 34.50 33.95 2k0r s PRO 10 CO 0.22 -2.18 1.92 -1.00 0.04 0.00 0.00 177.00 176.01 2k0r h PRO 11 N -1.50 0.00 -0.06 0.56 0.13 -1.96 -1.27 132.00 127.89 2k0r h PRO 11 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2k0r h PRO 11 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2k0r h PRO 11 CO 0.54 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 179.17 2k0r h GLU 12 N 0.00 0.15 0.00 0.86 4.39 -1.92 -2.61 114.58 115.44 2k0r h GLU 12 Ca 0.00 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2k0r h GLU 12 Cb 0.45 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2k0r h GLU 12 CO 0.00 0.62 -0.46 -0.22 -1.16 0.00 0.00 179.01 177.78 2k0r h LYS 13 N -0.32 0.00 0.00 2.33 3.11 -1.93 -3.28 116.57 116.49 2k0r h LYS 13 Ca 0.01 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.77 2k0r h LYS 13 Cb 0.60 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2k0r h LYS 13 CO 0.02 0.00 -0.37 0.00 -2.81 0.00 0.00 179.45 176.29 2k0r h ALA 14 N 2.46 0.79 -3.44 5.00 0.00 -1.24 -3.44 119.26 119.39 2k0r h ALA 14 Ca 0.00 -0.34 -0.66 0.00 0.00 0.00 0.00 54.91 53.91 2k0r h ALA 14 Cb 0.77 -0.06 -0.27 0.00 0.00 0.00 0.00 17.79 18.24 2k0r h ALA 14 CO 0.00 0.46 -0.77 -0.06 0.00 0.00 0.00 179.25 178.88 2k0r s PHE 15 N -3.12 2.78 -0.54 0.00 0.40 -0.99 0.01 117.98 116.52 2k0r s PHE 15 Ca 0.04 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 2k0r s PHE 15 Cb 0.08 -1.80 0.17 0.00 0.51 0.00 0.00 43.02 41.97 2k0r s PHE 15 CO 0.71 -0.16 0.40 0.08 0.70 0.00 0.00 175.22 176.96 2k0r s VAL 16 N 0.18 1.53 0.27 -0.44 1.01 0.23 -4.85 120.40 118.33 2k0r s VAL 16 Ca -0.08 -3.38 -0.29 0.00 0.00 0.00 0.00 61.98 58.23 2k0r s VAL 16 Cb -0.15 -2.03 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 2k0r s VAL 16 CO 0.05 -1.12 1.26 -2.16 0.00 0.00 0.00 175.10 173.13 2k0r s PRO 17 N -0.61 4.44 -0.03 2.72 0.04 -1.26 -1.47 135.00 138.83 2k0r s PRO 17 Ca 0.29 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.38 2k0r s PRO 17 Cb -0.01 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.40 2k0r s PRO 17 CO -0.17 -0.12 -0.01 -2.00 0.04 0.00 0.00 177.00 174.74 2k0r s GLU 18 N -1.05 0.37 0.03 4.56 -6.30 0.12 -4.89 118.70 111.55 2k0r s GLU 18 Ca 0.51 0.02 0.01 0.00 -2.50 0.00 0.00 54.97 53.01 2k0r s GLU 18 Cb -0.37 -0.50 -0.04 0.00 0.00 0.00 0.00 34.13 33.23 2k0r s GLU 18 CO 0.44 -0.10 0.09 -1.17 0.02 0.00 0.00 175.26 174.55 2k0r s LEU 19 N 0.84 3.89 -0.26 2.70 1.98 -1.00 -0.91 118.68 125.92 2k0r s LEU 19 Ca -0.09 0.10 -0.01 0.00 -2.89 0.00 0.00 54.13 51.23 2k0r s LEU 19 Cb -0.12 -2.40 0.13 0.00 0.66 0.00 0.00 46.19 44.45 2k0r s LEU 19 CO -0.01 0.23 0.31 0.00 -1.89 0.00 0.00 176.35 174.99 2k0r s ALA 20 N -1.29 -0.68 0.11 5.97 0.00 0.59 -3.20 121.76 123.25 2k0r s ALA 20 Ca 0.26 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 2k0r s ALA 20 Cb -0.12 -1.70 -0.07 0.00 0.00 0.00 0.00 23.12 21.23 2k0r s ALA 20 CO 0.18 -1.50 0.79 0.08 0.00 0.00 0.00 175.76 175.31 2k0r s VAL 21 N 2.42 4.54 0.34 0.00 1.01 0.37 -0.09 120.40 129.00 2k0r s VAL 21 Ca 0.10 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.80 2k0r s VAL 21 Cb -0.14 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2k0r s VAL 21 CO -0.24 0.43 0.07 0.00 0.00 0.00 0.00 175.10 175.36 2k0r n ALA 22 N 2.24 0.40 0.38 5.51 0.00 0.11 -4.65 120.51 124.50 2k0r n ALA 22 Ca -0.04 -1.64 0.12 0.00 0.00 0.00 0.00 53.44 51.88 2k0r n ALA 22 Cb 0.49 1.02 0.08 0.00 0.00 0.00 0.00 19.45 21.05 2k0r n ALA 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k0r h ASP 23 N 1.12 0.00 -0.17 0.00 1.82 -2.02 -3.33 116.42 113.84 2k0r h ASP 23 Ca -0.27 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.22 2k0r h ASP 23 Cb 0.94 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.95 2k0r h ASP 23 CO 0.44 0.07 0.00 -0.90 -1.61 0.00 0.00 179.24 177.25 2k0r n ASP 24 N -2.32 2.96 0.00 2.28 5.75 -1.26 -5.03 116.55 118.93 2k0r n ASP 24 Ca 0.02 -2.61 0.00 0.00 -0.01 0.00 0.00 54.79 52.18 2k0r n ASP 24 Cb 0.48 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0r n GLY 25 N -0.49 0.66 3.09 6.12 0.00 -1.25 -3.14 105.19 110.19 2k0r n GLY 25 Ca 0.14 -1.78 -0.21 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.56 1.03 -0.05 1.61 1.01 -0.08 0.04 120.40 121.39 2k0r s VAL 26 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2k0r s VAL 26 Cb 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2k0r s VAL 26 CO 0.00 0.26 -0.23 0.21 0.00 0.00 0.00 175.10 175.35 2k0r s ASN 27 N -0.37 3.28 -0.09 3.32 3.84 0.87 0.41 114.94 126.19 2k0r s ASN 27 Ca 0.05 -0.44 0.01 0.00 0.21 0.00 0.00 52.86 52.69 2k0r s ASN 27 Cb -0.05 -0.79 0.02 0.00 -0.55 0.00 0.00 41.25 39.87 2k0r s ASN 27 CO -0.00 0.27 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.78 2k0r s VAL 28 N -0.31 1.17 -0.09 -5.21 1.01 -0.65 -0.30 120.40 116.01 2k0r s VAL 28 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2k0r s VAL 28 Cb -0.13 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2k0r s VAL 28 CO 0.02 0.38 -0.12 -0.60 0.00 0.00 0.00 175.10 174.78 2k0r s ARG 29 N 1.11 1.82 -0.13 2.72 3.00 -0.08 -0.07 118.95 127.31 2k0r s ARG 29 Ca -0.06 -0.42 0.02 0.00 -1.00 0.00 0.00 55.73 54.27 2k0r s ARG 29 Cb -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 34.95 33.21 2k0r s ARG 29 CO -0.02 -0.07 -0.20 -0.59 0.00 0.00 0.00 175.30 174.42 2k0r s PHE 30 N 1.02 2.47 -0.29 5.12 -0.71 -0.03 0.16 117.98 125.72 2k0r s PHE 30 Ca -0.07 -1.24 -0.22 0.00 -1.04 0.00 0.00 56.93 54.35 2k0r s PHE 30 Cb -0.15 -1.71 -0.01 0.00 -1.21 0.00 0.00 43.02 39.95 2k0r s PHE 30 CO -0.01 -0.59 0.73 1.03 -1.34 0.00 0.00 175.22 175.04 2k0r s ARG 31 N 0.90 3.99 -0.02 1.99 0.52 -0.54 -2.78 118.95 123.01 2k0r s ARG 31 Ca -0.06 0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 55.67 2k0r s ARG 31 Cb -0.15 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 2k0r s ARG 31 CO -0.03 -0.59 0.14 0.42 0.02 0.00 0.00 175.30 175.27 2k0r s ILE 32 N 2.78 5.20 0.57 1.52 1.09 0.10 -0.60 121.20 131.87 2k0r s ILE 32 Ca 0.30 -0.20 -0.20 0.00 -1.10 0.00 0.00 60.65 59.45 2k0r s ILE 32 Cb -0.15 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.81 2k0r s ILE 32 CO 0.11 0.37 1.23 0.00 -0.10 0.00 0.00 174.94 176.55 2k0r s ALA 33 N -1.25 2.63 0.41 9.38 0.00 0.10 -4.17 121.76 128.86 2k0r s ALA 33 Ca 0.24 1.07 0.37 0.00 0.00 0.00 0.00 51.96 53.64 2k0r s ALA 33 Cb -0.12 -3.47 2.01 0.00 0.00 0.00 0.00 23.12 21.53 2k0r s ALA 33 CO 0.16 -1.16 2.13 0.22 0.00 0.00 0.00 175.76 177.10 2k0r h ASP 34 N 1.11 0.00 -0.20 0.00 1.82 -1.92 0.16 116.42 117.39 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 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 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 -1.15 0.79 3.29 -0.78 0.00 -1.26 -4.67 105.19 101.40 2k0r n GLY 35 Ca -0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.75 1.46 -0.23 1.61 2.02 0.56 -0.79 117.35 120.24 2k0r s TYR 36 Ca 0.34 -0.72 -0.17 0.00 -0.37 0.00 0.00 57.07 56.16 2k0r s TYR 36 Cb 0.20 -0.74 0.06 0.00 -0.40 0.00 0.00 41.96 41.09 2k0r s TYR 36 CO 0.29 0.16 0.58 1.52 -1.57 0.00 0.00 175.55 176.53 2k0r s TYR 37 N -3.22 -0.75 0.15 2.71 1.13 0.34 -4.55 117.35 113.17 2k0r s TYR 37 Ca 0.20 1.66 0.07 0.00 -1.41 0.00 0.00 57.07 57.60 2k0r s TYR 37 Cb 0.02 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.18 2k0r s TYR 37 CO 0.04 -0.38 -0.04 0.00 -2.51 0.00 0.00 175.55 172.66 2k0r s MET 38 N 0.90 2.30 -0.11 -3.49 0.23 -1.01 -0.90 119.30 117.22 2k0r s MET 38 Ca -0.05 -1.09 -0.16 0.00 -1.03 0.00 0.00 55.69 53.36 2k0r s MET 38 Cb -0.05 -2.33 -0.05 0.00 -1.53 0.00 0.00 34.83 30.87 2k0r s MET 38 CO -0.08 0.47 0.41 0.71 -2.03 0.00 0.00 175.02 174.50 2k0r s TYR 39 N -1.57 3.54 0.20 3.16 1.51 -1.25 -0.83 117.35 122.11 2k0r s TYR 39 Ca 0.25 0.82 -0.13 0.00 -1.01 0.00 0.00 57.07 57.00 2k0r s TYR 39 Cb -0.10 -2.43 0.23 0.00 -0.11 0.00 0.00 41.96 39.54 2k0r s TYR 39 CO 0.17 0.29 1.66 0.37 -1.11 0.00 0.00 175.55 176.92 2k0r h GLN 40 N 6.29 0.06 0.00 -0.62 4.15 -1.33 0.36 115.11 124.02 2k0r h GLN 40 Ca -0.43 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.95 2k0r h GLN 40 Cb 1.18 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2k0r h GLN 40 CO 0.73 0.04 -0.14 0.00 -1.93 0.00 0.00 178.83 177.53 2k0r h ALA 41 N 1.53 1.57 0.01 3.38 0.00 -1.94 -2.18 119.26 121.63 2k0r h ALA 41 Ca 0.28 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 2k0r h ALA 41 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k0r h ALA 41 CO -0.52 0.17 -0.92 0.87 0.00 0.00 0.00 179.25 178.86 2k0r h LYS 42 N 0.00 0.20 -6.95 0.00 1.79 -0.73 -3.45 116.57 107.42 2k0r h LYS 42 Ca -0.00 -0.23 -0.53 0.00 -2.18 0.00 0.00 60.65 57.71 2k0r h LYS 42 Cb 0.28 0.07 0.09 0.00 -1.58 0.00 0.00 32.23 31.09 2k0r h LYS 42 CO 0.02 0.98 0.64 0.42 -1.08 0.00 0.00 179.45 180.43 2k0r s ILE 43 N -3.14 2.49 -0.01 1.86 1.01 0.23 -4.56 121.20 119.08 2k0r s ILE 43 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2k0r s ILE 43 Cb 0.10 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.32 2k0r s ILE 43 CO 0.83 0.07 0.01 -0.69 0.00 0.00 0.00 174.94 175.16 2k0r s VAL 44 N -1.24 0.03 -0.30 2.92 1.01 -0.29 -4.98 120.40 117.56 2k0r s VAL 44 Ca 0.57 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.59 2k0r s VAL 44 Cb -0.40 -0.10 0.17 0.00 0.00 0.00 0.00 36.38 36.05 2k0r s VAL 44 CO 0.51 0.07 0.63 -0.83 0.00 0.00 0.00 175.10 175.48 2k0r s GLY 45 N 0.56 -0.88 -0.01 4.51 0.00 -1.24 -0.02 107.32 110.24 2k0r s GLY 45 Ca -0.05 2.07 0.00 0.00 0.00 0.00 0.00 44.72 46.74 2k0r s GLY 45 CO -0.01 3.27 0.00 1.25 0.00 0.00 0.00 173.10 177.61 2k0r s LYS 46 N 2.87 0.04 -0.05 2.90 2.36 -0.39 -4.89 119.74 122.58 2k0r s LYS 46 Ca 0.10 0.04 -0.00 0.00 -2.55 0.00 0.00 55.97 53.56 2k0r s LYS 46 Cb -0.14 -0.13 0.03 0.00 -1.05 0.00 0.00 37.83 36.54 2k0r s LYS 46 CO -0.20 -0.05 -0.01 -0.08 1.55 0.00 0.00 175.35 176.56 2k0r s THR 47 N 0.35 0.36 0.00 3.43 -1.32 -1.26 0.15 115.64 117.35 2k0r s THR 47 Ca -0.03 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2k0r s THR 47 Cb -0.05 -0.46 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 2k0r s THR 47 CO -0.01 0.22 0.00 -0.46 -2.21 0.00 0.00 174.62 172.16 2k0r n ASN 48 N 4.53 0.00 0.04 8.08 0.23 0.06 -4.39 115.26 123.81 2k0r n ASN 48 Ca -0.18 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 53.96 2k0r n ASN 48 Cb 0.50 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.56 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 -0.19 0.06 0.00 -0.53 -0.04 -1.26 -1.78 135.00 131.26 2k0r n PRO 49 Ca 0.00 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2k0r n PRO 49 Cb 0.00 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 -1.58 0.00 0.00 0.55 0.00 -1.26 -4.84 120.51 113.38 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 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.81 0.00 -0.12 0.00 8.00 -1.26 -5.04 116.55 116.32 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 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 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 2.63 -4.47 0.64 4.77 -1.26 -4.99 117.00 114.31 2k0r n LEU 52 Ca 0.00 -0.12 -0.38 0.00 -0.03 0.00 0.00 56.01 55.48 2k0r n LEU 52 Cb 0.00 -0.70 0.03 0.00 -2.33 0.00 0.00 43.42 40.42 2k0r n LEU 52 CO 0.00 0.86 0.07 -0.11 -1.33 0.00 0.00 177.39 176.89 2k0r n LEU 53 N -3.16 0.72 0.00 2.23 7.94 -1.26 -3.47 117.00 120.00 2k0r n LEU 53 Ca -0.42 0.76 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 2k0r n LEU 53 Cb 0.98 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.76 2k0r n LEU 53 CO 0.27 -3.01 0.00 0.61 -1.11 0.00 0.00 177.39 174.14 2k0r n GLY 54 N 1.77 1.90 3.14 -3.96 0.00 -1.12 -4.73 105.19 102.20 2k0r n GLY 54 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2k0r n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0r s GLN 55 N 0.02 0.74 0.70 1.61 -1.52 -1.26 -5.05 119.66 114.91 2k0r s GLN 55 Ca 0.00 -1.15 -0.13 0.00 -1.95 0.00 0.00 55.36 52.13 2k0r s GLN 55 Cb 0.00 -0.26 0.02 0.00 -0.22 0.00 0.00 33.01 32.55 2k0r s GLN 55 CO 0.00 0.01 1.10 -1.25 -0.25 0.00 0.00 175.29 174.91 2k0r s PRO 56 N -3.07 2.60 -0.48 2.91 0.04 -1.26 -4.28 135.00 131.46 2k0r s PRO 56 Ca 0.05 1.32 0.05 0.00 0.04 0.00 0.00 61.00 62.46 2k0r s PRO 56 Cb 0.00 -1.93 0.20 0.00 0.04 0.00 0.00 34.50 32.81 2k0r s PRO 56 CO -0.03 -1.39 0.46 0.43 0.04 0.00 0.00 177.00 176.51 2k0r n SER 57 N -2.80 0.77 -4.62 6.66 7.64 0.12 -4.96 113.62 116.43 2k0r n SER 57 Ca 0.10 -2.72 -0.42 0.00 1.01 0.00 0.00 58.87 56.84 2k0r n SER 57 Cb 0.52 -0.62 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 2k0r n SER 57 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k0r n PHE 58 N 2.09 1.29 0.82 1.43 3.72 -1.26 -1.50 117.46 124.05 2k0r n PHE 58 Ca 0.26 0.57 0.09 0.00 -0.05 0.00 0.00 57.45 58.32 2k0r n PHE 58 Cb 0.46 -2.25 0.46 0.00 -0.94 0.00 0.00 39.48 37.21 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 0.56 0.00 -1.85 4.37 2.88 0.21 -4.88 113.62 114.91 2k0r n SER 59 Ca 0.09 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2k0r n SER 59 Cb 0.38 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.36 -4.00 0.00 -1.46 4.76 -1.26 -5.02 118.16 109.81 2k0r n LYS 60 Ca 0.07 3.00 0.00 0.00 -2.87 0.00 0.00 58.31 58.51 2k0r n LYS 60 Cb 0.18 -3.42 0.00 0.00 -1.84 0.00 0.00 35.03 29.94 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 1.38 0.37 2.95 0.72 0.00 -1.26 -5.08 105.19 104.27 2k0r n GLY 61 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.84 0.35 0.14 1.61 2.56 -0.45 -4.93 118.70 119.81 2k0r s GLU 62 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 54.97 54.44 2k0r s GLU 62 Cb 0.00 -0.29 -0.07 0.00 2.00 0.00 0.00 34.13 35.77 2k0r s GLU 62 CO 0.00 0.08 0.93 -2.00 -0.56 0.00 0.00 175.26 173.70 2k0r s GLU 63 N -0.32 4.71 -0.02 4.30 2.12 -1.26 -0.15 118.70 128.07 2k0r s GLU 63 Ca -0.01 1.41 -0.08 0.00 0.36 0.00 0.00 54.97 56.65 2k0r s GLU 63 Cb -0.03 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.03 2k0r s GLU 63 CO -0.00 0.32 0.18 0.21 -0.54 0.00 0.00 175.26 175.43 2k0r s LYS 64 N -0.38 0.42 -0.11 4.30 2.36 -0.14 -4.94 119.74 121.25 2k0r s LYS 64 Ca 0.44 -0.15 0.01 0.00 -2.55 0.00 0.00 55.97 53.72 2k0r s LYS 64 Cb -0.24 0.18 -0.02 0.00 -1.05 0.00 0.00 37.83 36.71 2k0r s LYS 64 CO 0.30 -0.09 -0.13 -1.21 1.55 0.00 0.00 175.35 175.76 2k0r s GLU 65 N -0.88 3.18 0.00 4.03 8.01 -1.25 -1.20 118.70 130.59 2k0r s GLU 65 Ca -0.10 -0.69 0.00 0.00 0.01 0.00 0.00 54.97 54.19 2k0r s GLU 65 Cb -0.05 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.20 2k0r s GLU 65 CO 0.01 0.31 0.00 -3.47 0.01 0.00 0.00 175.26 172.12 2k0r n ASP 66 N 3.24 0.00 -0.02 -0.19 2.03 -0.30 -4.92 116.55 116.39 2k0r n ASP 66 Ca -0.18 -0.74 0.05 0.00 0.52 0.00 0.00 54.79 54.45 2k0r n ASP 66 Cb 0.53 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 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 3.08 0.00 -0.67 0.00 -1.26 -2.39 120.64 119.40 2k0r n GLU 67 Ca 0.00 -0.06 0.15 0.00 0.00 0.00 0.00 57.16 57.26 2k0r n GLU 67 Cb 0.00 -1.05 0.80 0.00 0.00 0.00 0.00 31.44 31.19 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 -1.18 0.00 0.00 -1.84 3.01 -1.26 -4.58 117.46 111.61 2k0r n PHE 68 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2k0r n PHE 68 Cb 0.19 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.73 0.00 0.00 1.38 -1.74 -1.26 -5.16 117.46 109.95 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 0.19 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.19 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 0.25 3.37 4.97 0.00 -1.01 -4.90 105.19 107.49 2k0r n GLY 70 Ca 0.00 -1.90 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 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 3.03 0.24 1.61 3.03 -1.26 -1.15 118.95 124.46 2k0r s ARG 71 Ca 0.00 -1.35 -0.12 0.00 2.03 0.00 0.00 55.73 56.28 2k0r s ARG 71 Cb 0.00 -4.23 -0.01 0.00 -1.03 0.00 0.00 34.95 29.68 2k0r s ARG 71 CO 0.00 -1.37 0.46 -0.65 -1.13 0.00 0.00 175.30 172.61 2k0r s GLN 72 N 2.27 1.53 0.23 3.89 -1.52 -0.34 -4.94 119.66 120.79 2k0r s GLN 72 Ca 0.09 -1.26 -0.30 0.00 -1.95 0.00 0.00 55.36 51.95 2k0r s GLN 72 Cb -0.25 0.46 -0.09 0.00 -0.22 0.00 0.00 33.01 32.92 2k0r s GLN 72 CO 0.06 -0.63 0.93 0.99 -0.25 0.00 0.00 175.29 176.39 2k0r s THR 73 N -4.02 4.11 0.25 -0.19 2.01 -1.26 -0.96 115.64 115.57 2k0r s THR 73 Ca 0.23 2.06 0.00 0.00 0.31 0.00 0.00 61.69 64.29 2k0r s THR 73 Cb -0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2k0r s THR 73 CO 0.09 0.50 0.22 0.68 -0.69 0.00 0.00 174.62 175.41 2k0r s VAL 74 N -1.14 0.00 -0.02 3.82 -7.23 0.79 -0.83 120.40 115.79 2k0r s VAL 74 Ca 0.41 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 58.73 2k0r s VAL 74 Cb -0.26 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 2k0r s VAL 74 CO 0.32 0.00 -0.26 -0.31 -0.31 0.00 0.00 175.10 174.54 2k0r s TYR 75 N -3.90 2.34 -1.90 2.82 2.02 -0.01 -1.34 117.35 117.37 2k0r s TYR 75 Ca 0.38 -0.43 0.20 0.00 -0.37 0.00 0.00 57.07 56.84 2k0r s TYR 75 Cb 0.05 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2k0r s TYR 75 CO 0.16 -0.03 1.00 -2.39 -1.57 0.00 0.00 175.55 172.72 2k0r n HIS 76 N 2.43 0.00 0.01 2.71 1.44 -1.26 -2.39 115.22 118.16 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 0.14 -2.29 -2.77 -1.40 -0.00 -1.26 -4.22 115.22 103.42 2k0r n HIS 77 Ca 0.09 0.09 -0.42 0.00 -0.00 0.00 0.00 57.72 57.47 2k0r n HIS 77 Cb 0.42 0.63 -0.03 0.00 -0.00 0.00 0.00 29.99 31.02 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 4.08 -0.34 1.57 -1.05 -1.26 0.02 118.70 119.71 2k0r s GLU 78 Ca 0.00 0.94 -0.01 0.00 -0.15 0.00 0.00 54.97 55.76 2k0r s GLU 78 Cb 0.00 -3.71 0.13 0.00 -0.44 0.00 0.00 34.13 30.12 2k0r s GLU 78 CO 0.00 -0.74 0.20 0.00 0.95 0.00 0.00 175.26 175.68 2k0r s ALA 79 N 3.25 0.76 -0.03 -0.84 0.00 -1.12 -4.80 121.76 118.97 2k0r s ALA 79 Ca 0.40 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.81 2k0r s ALA 79 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 2k0r s ALA 79 CO 0.12 -2.00 -0.25 -1.14 0.00 0.00 0.00 175.76 172.49 2k0r s GLN 80 N 1.34 2.27 -0.05 0.00 -0.44 -1.26 -0.85 119.66 120.67 2k0r s GLN 80 Ca 0.16 -0.90 0.02 0.00 -2.50 0.00 0.00 55.36 52.14 2k0r s GLN 80 Cb -0.21 -2.11 0.01 0.00 -1.64 0.00 0.00 33.01 29.07 2k0r s GLN 80 CO -0.08 0.52 -0.11 0.08 0.50 0.00 0.00 175.29 176.20 2k0r s VAL 81 N -0.50 1.00 -0.02 1.34 1.01 0.89 -0.62 120.40 123.51 2k0r s VAL 81 Ca 0.06 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 2k0r s VAL 81 Cb -0.11 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2k0r s VAL 81 CO 0.00 0.32 0.39 0.00 0.00 0.00 0.00 175.10 175.82 2k0r s ALA 82 N 0.55 3.69 -0.59 5.51 0.00 -0.56 -1.64 121.76 128.72 2k0r s ALA 82 Ca -0.11 -0.25 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2k0r s ALA 82 Cb -0.14 -2.38 0.16 0.00 0.00 0.00 0.00 23.12 20.76 2k0r s ALA 82 CO 0.02 0.44 0.41 -0.06 0.00 0.00 0.00 175.76 176.57 2k0r s PHE 83 N -0.90 2.73 0.17 0.00 0.08 0.16 0.11 117.98 120.33 2k0r s PHE 83 Ca 0.23 -2.96 -0.30 0.00 0.12 0.00 0.00 56.93 54.01 2k0r s PHE 83 Cb -0.16 -2.17 -0.08 0.00 -0.57 0.00 0.00 43.02 40.03 2k0r s PHE 83 CO 0.12 -0.66 1.32 -1.25 -0.10 0.00 0.00 175.22 174.66 2k0r s PRO 84 N -0.77 4.38 0.93 0.24 0.04 -1.26 -0.90 135.00 137.65 2k0r s PRO 84 Ca 0.25 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 2k0r s PRO 84 Cb -0.06 -3.22 0.15 0.00 0.04 0.00 0.00 34.50 31.41 2k0r s PRO 84 CO -0.14 -0.30 1.10 0.71 0.04 0.00 0.00 177.00 178.42 2k0r s TYR 85 N 0.40 1.88 0.00 0.56 2.02 -1.19 -2.79 117.35 118.23 2k0r s TYR 85 Ca 0.59 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.82 2k0r s TYR 85 Cb -0.36 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 37.99 2k0r s TYR 85 CO 0.36 -2.75 0.56 0.00 -1.57 0.00 0.00 175.55 172.15 2k0r n ALA 86 N -4.17 1.28 -3.40 3.71 0.00 -1.23 -4.47 120.51 112.22 2k0r n ALA 86 Ca 0.09 -0.56 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 2k0r n ALA 86 Cb 0.53 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 2k0r n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k0r s LYS 87 N -0.28 0.77 -0.36 0.00 1.02 -1.26 -4.93 119.74 114.70 2k0r s LYS 87 Ca 0.00 0.32 -0.26 0.00 0.02 0.00 0.00 55.97 56.05 2k0r s LYS 87 Cb 0.00 0.36 0.01 0.00 -0.52 0.00 0.00 37.83 37.69 2k0r s LYS 87 CO 0.00 -0.19 0.91 0.00 -0.92 0.00 0.00 175.35 175.16 2k0r s ALA 88 N -0.66 3.43 -0.12 5.17 0.00 -1.26 -5.01 121.76 123.31 2k0r s ALA 88 Ca -0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.27 2k0r s ALA 88 Cb -0.03 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.62 2k0r s ALA 88 CO 0.05 -1.56 0.47 0.14 0.00 0.00 0.00 175.76 174.86 2k0r s VAL 89 N 3.42 0.01 -0.24 0.00 -7.23 -1.26 -5.04 120.40 110.06 2k0r s VAL 89 Ca 0.38 -0.12 0.16 0.00 -1.81 0.00 0.00 61.98 60.59 2k0r s VAL 89 Cb -0.12 -0.71 0.46 0.00 0.56 0.00 0.00 36.38 36.56 2k0r s VAL 89 CO 0.18 -0.06 1.35 0.61 -0.31 0.00 0.00 175.10 176.86 2k0r n GLY 90 N 2.14 4.04 3.98 2.32 0.00 -1.26 -5.02 105.19 111.39 2k0r n GLY 90 Ca -0.16 -0.97 -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 -2.62 3.29 0.57 1.61 2.02 -1.26 -5.09 118.70 117.22 2k0r s GLU 91 Ca 0.38 -0.85 -0.18 0.00 0.02 0.00 0.00 54.97 54.33 2k0r s GLU 91 Cb 0.30 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 2k0r s GLU 91 CO 0.08 0.24 1.13 -1.25 0.02 0.00 0.00 175.26 175.48 2k0r s PRO 92 N -4.09 3.20 0.22 0.39 0.04 -1.26 -4.97 135.00 128.53 2k0r s PRO 92 Ca 0.39 1.56 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2k0r s PRO 92 Cb -0.09 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 2k0r s PRO 92 CO 0.30 -0.96 0.09 1.52 0.04 0.00 0.00 177.00 177.99 2k0r s TYR 93 N -1.92 1.35 0.05 0.56 1.13 -0.91 -4.57 117.35 113.05 2k0r s TYR 93 Ca 0.71 -1.21 0.02 0.00 -1.41 0.00 0.00 57.07 55.19 2k0r s TYR 93 Cb -0.23 -0.76 -0.04 0.00 -1.10 0.00 0.00 41.96 39.83 2k0r s TYR 93 CO 0.31 -0.40 0.08 0.21 -2.51 0.00 0.00 175.55 173.24 2k0r s LYS 94 N -4.05 2.95 0.03 -3.49 2.36 -0.73 -1.50 119.74 115.31 2k0r s LYS 94 Ca 0.35 -0.62 0.09 0.00 -2.55 0.00 0.00 55.97 53.24 2k0r s LYS 94 Cb 0.07 -2.77 -0.03 0.00 -1.05 0.00 0.00 37.83 34.06 2k0r s LYS 94 CO 0.11 0.59 -0.26 -1.17 1.55 0.00 0.00 175.35 176.17 2k0r s LEU 95 N -2.19 2.14 -0.17 5.43 0.20 0.88 -0.76 118.68 124.21 2k0r s LEU 95 Ca 0.27 -0.55 -0.02 0.00 0.69 0.00 0.00 54.13 54.52 2k0r s LEU 95 Cb -0.12 -1.28 0.05 0.00 -0.43 0.00 0.00 46.19 44.41 2k0r s LEU 95 CO 0.20 0.27 0.02 -0.69 -0.29 0.00 0.00 176.35 175.85 2k0r s VAL 96 N -0.75 0.60 -0.06 1.68 1.01 0.12 -0.76 120.40 122.25 2k0r s VAL 96 Ca 0.11 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.67 2k0r s VAL 96 Cb -0.10 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 2k0r s VAL 96 CO 0.01 -0.08 -0.19 -0.76 0.00 0.00 0.00 175.10 174.08 2k0r s LEU 97 N 1.84 2.41 -0.06 3.92 2.01 0.82 -1.26 118.68 128.36 2k0r s LEU 97 Ca 0.00 -0.36 -0.00 0.00 0.01 0.00 0.00 54.13 53.78 2k0r s LEU 97 Cb -0.16 -1.47 0.03 0.00 0.01 0.00 0.00 46.19 44.60 2k0r s LEU 97 CO -0.07 0.28 -0.01 -0.89 1.01 0.00 0.00 176.35 176.67 2k0r s THR 98 N -0.37 0.39 -0.10 5.49 2.01 0.97 0.11 115.64 124.14 2k0r s THR 98 Ca 0.03 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.11 2k0r s THR 98 Cb -0.12 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2k0r s THR 98 CO 0.02 0.23 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.65 2k0r s TYR 99 N 1.51 2.46 -0.24 4.92 1.51 -0.11 -1.13 117.35 126.26 2k0r s TYR 99 Ca -0.02 -1.02 -0.10 0.00 -1.01 0.00 0.00 57.07 54.92 2k0r s TYR 99 Cb -0.13 -1.65 0.09 0.00 -0.11 0.00 0.00 41.96 40.16 2k0r s TYR 99 CO -0.03 -0.42 0.55 1.14 -1.11 0.00 0.00 175.55 175.68 2k0r s GLN 100 N 0.40 0.50 0.00 -0.62 -2.07 -1.26 -0.19 119.66 116.42 2k0r s GLN 100 Ca -0.18 1.17 0.00 0.00 -1.82 0.00 0.00 55.36 54.53 2k0r s GLN 100 Cb -0.18 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2k0r s GLN 100 CO 0.08 -0.20 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 2k0r n GLY 101 N 4.98 4.09 3.38 2.60 0.00 -1.26 -3.96 105.19 115.02 2k0r n GLY 101 Ca -0.15 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 1.70 0.04 -0.01 1.61 0.01 -0.08 -3.86 113.70 113.11 2k0r s SER 102 Ca 0.00 -1.13 -0.15 0.00 1.31 0.00 0.00 55.95 55.98 2k0r s SER 102 Cb 0.00 0.47 -0.06 0.00 0.21 0.00 0.00 66.02 66.65 2k0r s SER 102 CO 0.00 -0.97 0.41 0.00 0.41 0.00 0.00 173.24 173.09 2k0r s ALA 103 N -4.07 3.68 0.62 1.44 0.00 0.88 -0.50 121.76 123.81 2k0r s ALA 103 Ca 0.29 -0.22 0.31 0.00 0.00 0.00 0.00 51.96 52.35 2k0r s ALA 103 Cb 0.03 -2.41 1.74 0.00 0.00 0.00 0.00 23.12 22.49 2k0r s ALA 103 CO 0.09 0.44 2.07 0.93 0.00 0.00 0.00 175.76 179.29 2k0r h GLU 104 N 4.89 0.00 0.00 0.00 5.08 -1.26 0.20 114.58 123.49 2k0r h GLU 104 Ca -0.51 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 2k0r h GLU 104 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2k0r h GLU 104 CO 0.63 0.00 -0.64 0.00 -1.00 0.00 0.00 179.01 178.00 2k0r h ALA 105 N 1.66 0.87 0.00 3.43 0.00 -1.89 -3.47 119.26 119.85 2k0r h ALA 105 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k0r h ALA 105 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k0r h ALA 105 CO -0.00 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2k0r n GLY 106 N 0.46 0.91 3.32 0.00 0.00 0.68 -5.15 105.19 105.41 2k0r n GLY 106 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2k0r n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 107 N -1.21 2.02 -0.21 1.61 1.01 -1.18 -4.93 120.40 117.50 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 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.69 2k0r s VAL 107 CO 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 175.10 175.31 2k0r s TYR 109 N 1.24 2.84 0.72 0.00 1.13 -1.25 -5.06 117.35 116.96 2k0r s TYR 109 Ca 0.01 -0.19 -0.13 0.00 -1.41 0.00 0.00 57.07 55.35 2k0r s TYR 109 Cb -0.15 -1.28 0.03 0.00 -1.10 0.00 0.00 41.96 39.46 2k0r s TYR 109 CO -0.10 0.58 1.10 -1.25 -2.51 0.00 0.00 175.55 173.37 2k0r s PRO 110 N -3.74 2.52 0.60 -3.49 0.04 -1.26 -4.62 135.00 125.05 2k0r s PRO 110 Ca 0.32 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 2k0r s PRO 110 Cb -0.07 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2k0r s PRO 110 CO 0.22 -1.46 1.12 -1.25 0.04 0.00 0.00 177.00 175.67 2k0r s PRO 111 N -4.51 3.10 -0.21 0.56 0.04 -1.26 -4.83 135.00 127.88 2k0r s PRO 111 Ca 0.64 1.51 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2k0r s PRO 111 Cb -0.19 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.42 2k0r s PRO 111 CO 0.49 -1.03 -0.10 0.08 0.04 0.00 0.00 177.00 176.48 2k0r s VAL 112 N -2.03 1.70 -0.05 -0.36 1.01 0.73 -4.99 120.40 116.41 2k0r s VAL 112 Ca 0.70 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 2k0r s VAL 112 Cb -0.22 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2k0r s VAL 112 CO 0.34 0.10 0.16 1.51 0.00 0.00 0.00 175.10 177.20 2k0r s ASP 113 N 1.35 6.31 -0.21 3.32 1.47 -1.26 -0.94 116.67 126.71 2k0r s ASP 113 Ca -0.03 0.38 -0.10 0.00 1.18 0.00 0.00 52.55 53.98 2k0r s ASP 113 Cb -0.17 -1.99 0.08 0.00 -0.34 0.00 0.00 42.92 40.49 2k0r s ASP 113 CO -0.08 0.32 0.49 -0.89 0.68 0.00 0.00 175.17 175.70 2k0r s THR 114 N -1.19 -0.25 -0.09 2.11 2.01 0.12 -5.00 115.64 113.34 2k0r s THR 114 Ca 0.22 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 2k0r s THR 114 Cb -0.12 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 2k0r s THR 114 CO 0.12 0.03 0.04 -1.61 -0.69 0.00 0.00 174.62 172.51 2k0r s GLU 115 N 1.87 3.10 -0.10 4.92 2.02 -1.26 -0.12 118.70 129.12 2k0r s GLU 115 Ca -0.08 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.61 2k0r s GLU 115 Cb -0.09 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.25 2k0r s GLU 115 CO -0.15 0.72 -0.21 -0.06 0.02 0.00 0.00 175.26 175.59 2k0r s PHE 116 N -0.92 2.30 -0.31 1.61 0.08 0.07 -4.94 117.98 115.87 2k0r s PHE 116 Ca 0.14 -0.98 -0.23 0.00 0.12 0.00 0.00 56.93 55.97 2k0r s PHE 116 Cb -0.11 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2k0r s PHE 116 CO 0.03 -0.43 0.78 -0.51 -0.10 0.00 0.00 175.22 174.99 2k0r s ASP 117 N 0.54 6.65 -0.17 1.36 1.11 -1.26 -0.08 116.67 124.82 2k0r s ASP 117 Ca -0.15 0.64 -0.11 0.00 0.18 0.00 0.00 52.55 53.11 2k0r s ASP 117 Cb -0.17 -2.40 -0.05 0.00 1.07 0.00 0.00 42.92 41.37 2k0r s ASP 117 CO 0.05 -0.61 0.19 -0.63 1.18 0.00 0.00 175.17 175.36 2k0r s ILE 118 N 2.94 5.38 0.00 0.77 -1.09 -0.56 -4.92 121.20 123.72 2k0r s ILE 118 Ca 0.32 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 2k0r s ILE 118 Cb -0.14 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2k0r s ILE 118 CO 0.12 0.46 0.79 2.22 -1.23 0.00 0.00 174.94 177.31 2k0r n PHE 119 N 3.21 0.00 -0.09 3.97 1.16 -1.26 -2.13 117.46 122.31 2k0r n PHE 119 Ca -0.15 -0.38 0.00 0.00 -1.87 0.00 0.00 57.45 55.05 2k0r n PHE 119 Cb 0.52 0.44 0.00 0.00 -1.61 0.00 0.00 39.48 38.83 2k0r n PHE 119 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0r n GLY 120 N 0.00 0.17 0.03 4.97 0.00 -1.26 -5.00 105.19 104.10 2k0r n GLY 120 Ca -0.21 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2k0r n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k0r n ASN 121 N 0.00 0.00 0.00 1.61 2.85 -1.26 -5.07 115.26 113.39 2k0r n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k0r n ASN 121 Cb 0.00 0.01 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 -0.74 1.89 3.76 8.20 0.00 -1.26 -4.98 105.19 112.06 2k0r n GLY 122 Ca 0.00 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 2k0r n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0r s THR 123 N 0.00 4.90 -0.02 2.61 2.01 -1.26 -0.48 115.64 123.40 2k0r s THR 123 Ca 0.00 1.28 -0.04 0.00 0.31 0.00 0.00 61.69 63.24 2k0r s THR 123 Cb 0.00 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2k0r s THR 123 CO 0.00 0.41 0.09 -0.31 -0.69 0.00 0.00 174.62 174.12 2k0r s TYR 124 N -0.15 -0.03 0.03 4.92 1.51 -1.19 -4.98 117.35 117.45 2k0r s TYR 124 Ca 0.32 0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 56.38 2k0r s TYR 124 Cb -0.18 -0.01 -0.00 0.00 -0.11 0.00 0.00 41.96 41.66 2k0r s TYR 124 CO 0.18 -0.12 0.15 -1.01 -1.11 0.00 0.00 175.55 173.64 2k0r s HIS 125 N -0.43 0.08 0.38 2.71 3.76 -1.26 -2.38 115.29 118.14 2k0r s HIS 125 Ca -0.05 -0.27 -0.26 0.00 -0.15 0.00 0.00 55.06 54.33 2k0r s HIS 125 Cb -0.03 -0.06 -0.09 0.00 1.11 0.00 0.00 32.58 33.51 2k0r s HIS 125 CO 0.00 -0.37 1.20 -1.25 -0.85 0.00 0.00 174.74 173.48 2k0r s PRO 126 N -2.15 4.15 -0.94 8.40 0.04 -1.26 -4.96 135.00 138.27 2k0r s PRO 126 Ca -0.08 1.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 2k0r s PRO 126 Cb -0.03 -2.80 0.33 0.00 0.04 0.00 0.00 34.50 32.04 2k0r s PRO 126 CO -0.02 -0.26 1.78 1.04 0.04 0.00 0.00 177.00 179.58 2k0r n GLN 127 N 0.31 4.66 0.00 4.56 1.13 -1.26 -5.20 117.38 121.58 2k0r n GLN 127 Ca 0.03 -4.44 0.00 0.00 -1.94 0.00 0.00 57.00 50.65 2k0r n GLN 127 Cb 0.45 -2.40 0.00 0.00 0.11 0.00 0.00 30.24 28.40 2k0r n GLN 127 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03