#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0r s ALA 2 N 0.00 -1.85 -1.23 3.04 0.00 -1.26 -4.71 121.76 115.74 2k0r s ALA 2 Ca 0.00 1.14 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 2k0r s ALA 2 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 2k0r s ALA 2 CO 0.00 -0.61 0.70 -0.11 0.00 0.00 0.00 175.76 175.74 2k0r n LEU 3 N -0.05 -3.07 -0.02 0.00 7.94 -1.26 -4.89 117.00 115.66 2k0r n LEU 3 Ca -0.09 -0.92 0.00 0.00 -1.11 0.00 0.00 56.01 53.89 2k0r n LEU 3 Cb 0.61 -2.52 0.00 0.00 0.53 0.00 0.00 43.42 42.04 2k0r n LEU 3 CO 0.12 0.41 0.27 0.47 -1.11 0.00 0.00 177.39 177.55 2k0r n ASP 4 N -2.91 0.20 -0.41 1.96 9.92 -1.26 -5.08 116.55 118.97 2k0r n ASP 4 Ca -0.20 -1.13 0.00 0.00 -0.53 0.00 0.00 54.79 52.93 2k0r n ASP 4 Cb 0.64 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 2k0r n ASP 4 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k0r n ALA 5 N -0.05 0.00 -1.67 2.24 0.00 -1.26 -4.76 120.51 115.01 2k0r n ALA 5 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2k0r n ALA 5 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.49 -5.01 0.00 0.00 5.15 -1.26 -1.37 115.26 109.28 2k0r n ASN 6 Ca 0.00 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 2k0r n ASN 6 Cb 0.00 -4.02 0.00 0.00 -0.53 0.00 0.00 39.78 35.23 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 -0.82 -0.06 0.32 1.20 5.75 -1.25 -4.81 116.55 116.88 2k0r n ASP 7 Ca -0.18 0.00 0.22 0.00 -0.01 0.00 0.00 54.79 54.82 2k0r n ASP 7 Cb 0.57 -0.92 1.14 0.00 -1.03 0.00 0.00 41.12 40.88 2k0r n ASP 7 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2k0r h LEU 8 N 0.00 0.00 -9.76 -2.12 3.38 -1.52 -3.42 115.31 101.87 2k0r h LEU 8 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2k0r h LEU 8 Cb 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2k0r h LEU 8 CO 0.00 0.00 -0.57 -1.48 0.09 0.00 0.00 178.44 176.48 2k0r s LEU 9 N -6.02 3.58 0.69 1.67 0.05 -1.26 -4.51 118.68 112.88 2k0r s LEU 9 Ca -0.04 -0.38 -0.14 0.00 0.05 0.00 0.00 54.13 53.62 2k0r s LEU 9 Cb 0.12 -2.12 0.01 0.00 -2.05 0.00 0.00 46.19 42.15 2k0r s LEU 9 CO 0.40 -0.01 1.11 -2.16 -0.55 0.00 0.00 176.35 175.14 2k0r s PRO 10 N -3.69 2.67 0.00 1.48 0.04 -1.26 -4.87 135.00 129.36 2k0r s PRO 10 Ca 0.32 1.33 0.15 0.00 0.04 0.00 0.00 61.00 62.84 2k0r s PRO 10 Cb -0.08 -1.94 0.74 0.00 0.04 0.00 0.00 34.50 33.27 2k0r s PRO 10 CO 0.23 -1.35 1.41 -0.35 0.04 0.00 0.00 177.00 176.98 2k0r n PRO 11 N -2.69 0.20 0.00 0.56 -0.04 -1.26 -1.72 135.00 130.05 2k0r n PRO 11 Ca 0.10 0.15 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 2k0r n PRO 11 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.50 0.00 0.54 4.11 -1.93 -3.32 114.58 114.48 2k0r h GLU 12 Ca 0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2k0r h GLU 12 Cb 0.14 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k0r h GLU 12 CO 0.00 1.14 -1.03 0.36 0.07 0.00 0.00 179.01 179.56 2k0r n LYS 13 N -4.14 0.11 0.27 1.06 -0.00 -1.14 -4.23 118.16 110.08 2k0r n LYS 13 Ca -0.10 -0.01 0.15 0.00 -0.00 0.00 0.00 58.31 58.35 2k0r n LYS 13 Cb 0.70 -1.49 0.72 0.00 -0.00 0.00 0.00 35.03 34.96 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 2.93 1.11 -3.54 0.58 0.00 -1.43 -3.42 119.26 115.49 2k0r h ALA 14 Ca 0.00 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.15 2k0r h ALA 14 Cb 0.51 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.01 2k0r h ALA 14 CO 0.00 0.12 -0.80 -0.06 0.00 0.00 0.00 179.25 178.51 2k0r s PHE 15 N -3.93 2.69 -0.63 0.00 0.08 -1.25 0.03 117.98 114.97 2k0r s PHE 15 Ca -0.01 -0.65 0.05 0.00 0.12 0.00 0.00 56.93 56.43 2k0r s PHE 15 Cb 0.11 -1.75 0.16 0.00 -0.57 0.00 0.00 43.02 40.98 2k0r s PHE 15 CO 0.56 -0.19 0.43 0.08 -0.10 0.00 0.00 175.22 176.00 2k0r s VAL 16 N 0.10 2.46 0.23 -0.44 1.01 0.88 -4.91 120.40 119.73 2k0r s VAL 16 Ca -0.08 -3.85 -0.30 0.00 0.00 0.00 0.00 61.98 57.75 2k0r s VAL 16 Cb -0.15 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 2k0r s VAL 16 CO 0.05 -1.00 1.28 -2.16 0.00 0.00 0.00 175.10 173.28 2k0r s PRO 17 N -1.00 4.41 -0.04 2.72 0.04 -1.26 -1.45 135.00 138.42 2k0r s PRO 17 Ca 0.24 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.33 2k0r s PRO 17 Cb -0.08 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2k0r s PRO 17 CO -0.14 -0.19 -0.01 -2.00 0.04 0.00 0.00 177.00 174.70 2k0r s GLU 18 N -0.53 0.48 -0.00 4.56 2.12 0.11 -4.86 118.70 120.58 2k0r s GLU 18 Ca 0.54 0.03 -0.00 0.00 0.36 0.00 0.00 54.97 55.90 2k0r s GLU 18 Cb -0.36 -0.63 -0.04 0.00 0.26 0.00 0.00 34.13 33.36 2k0r s GLU 18 CO 0.41 -0.13 0.07 -1.17 -0.54 0.00 0.00 175.26 173.89 2k0r s LEU 19 N 1.08 3.84 -0.25 2.70 1.98 -1.05 -0.67 118.68 126.31 2k0r s LEU 19 Ca -0.09 0.12 -0.02 0.00 -2.89 0.00 0.00 54.13 51.26 2k0r s LEU 19 Cb -0.14 -2.23 0.12 0.00 0.66 0.00 0.00 46.19 44.61 2k0r s LEU 19 CO -0.01 0.27 0.30 0.00 -1.89 0.00 0.00 176.35 175.01 2k0r s ALA 20 N -1.18 -0.57 0.20 5.97 0.00 0.68 -3.14 121.76 123.72 2k0r s ALA 20 Ca 0.22 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2k0r s ALA 20 Cb -0.12 -1.65 -0.08 0.00 0.00 0.00 0.00 23.12 21.28 2k0r s ALA 20 CO 0.13 -1.47 1.03 0.08 0.00 0.00 0.00 175.76 175.53 2k0r s VAL 21 N 2.40 3.98 0.34 0.00 1.01 -0.25 -0.17 120.40 127.71 2k0r s VAL 21 Ca 0.09 1.80 0.01 0.00 0.00 0.00 0.00 61.98 63.89 2k0r s VAL 21 Cb -0.15 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 2k0r s VAL 21 CO -0.23 0.35 0.05 0.00 0.00 0.00 0.00 175.10 175.27 2k0r n ALA 22 N 2.04 0.36 0.15 5.51 0.00 0.12 -4.78 120.51 123.92 2k0r n ALA 22 Ca 0.01 -1.61 0.12 0.00 0.00 0.00 0.00 53.44 51.96 2k0r n ALA 22 Cb 0.47 0.96 0.01 0.00 0.00 0.00 0.00 19.45 20.89 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 1.02 0.00 -0.17 0.00 3.58 -2.01 -3.33 116.42 115.50 2k0r h ASP 23 Ca -0.28 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.15 2k0r h ASP 23 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2k0r h ASP 23 CO 0.45 0.01 0.00 -0.90 -2.88 0.00 0.00 179.24 175.92 2k0r n ASP 24 N -2.62 2.97 0.00 2.28 5.68 -1.26 -5.03 116.55 118.56 2k0r n ASP 24 Ca 0.00 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.66 2k0r n ASP 24 Cb 0.54 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2k0r n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0r n GLY 25 N -0.51 0.51 3.26 6.12 0.00 -1.25 -3.21 105.19 110.11 2k0r n GLY 25 Ca 0.14 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.42 1.81 -0.17 1.61 1.01 -0.59 0.16 120.40 121.80 2k0r s VAL 26 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2k0r s VAL 26 Cb 0.00 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2k0r s VAL 26 CO 0.00 0.45 -0.18 0.20 0.00 0.00 0.00 175.10 175.57 2k0r s ASN 27 N -0.69 3.32 -0.14 3.32 -0.87 0.76 0.45 114.94 121.10 2k0r s ASN 27 Ca 0.09 -0.59 0.02 0.00 -1.57 0.00 0.00 52.86 50.81 2k0r s ASN 27 Cb -0.09 -1.51 0.01 0.00 -0.02 0.00 0.00 41.25 39.64 2k0r s ASN 27 CO -0.00 0.02 -0.20 0.54 -2.57 0.00 0.00 177.10 174.89 2k0r s VAL 28 N 1.17 1.90 -0.08 1.60 0.11 -0.81 -0.23 120.40 124.05 2k0r s VAL 28 Ca 0.02 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 2k0r s VAL 28 Cb -0.14 -1.70 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 2k0r s VAL 28 CO -0.08 0.52 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.48 2k0r s ARG 29 N 0.93 1.82 -0.16 1.54 3.00 0.15 0.02 118.95 126.25 2k0r s ARG 29 Ca -0.05 -0.44 0.01 0.00 -1.00 0.00 0.00 55.73 54.25 2k0r s ARG 29 Cb -0.15 -1.54 0.01 0.00 0.00 0.00 0.00 34.95 33.27 2k0r s ARG 29 CO -0.03 -0.01 -0.20 -0.59 0.00 0.00 0.00 175.30 174.47 2k0r s PHE 30 N 0.82 2.73 -0.32 5.12 -0.71 -0.22 0.09 117.98 125.49 2k0r s PHE 30 Ca -0.11 -1.41 -0.23 0.00 -1.04 0.00 0.00 56.93 54.14 2k0r s PHE 30 Cb -0.15 -1.87 0.00 0.00 -1.21 0.00 0.00 43.02 39.79 2k0r s PHE 30 CO 0.02 -0.67 0.78 1.03 -1.34 0.00 0.00 175.22 175.04 2k0r s ARG 31 N 1.01 3.90 -0.01 1.99 0.52 -0.53 -3.06 118.95 122.78 2k0r s ARG 31 Ca -0.02 0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 55.64 2k0r s ARG 31 Cb -0.15 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 2k0r s ARG 31 CO -0.06 -0.72 0.21 0.42 0.02 0.00 0.00 175.30 175.16 2k0r s ILE 32 N 2.98 5.40 0.56 1.52 1.01 0.97 -0.08 121.20 133.57 2k0r s ILE 32 Ca 0.32 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.72 2k0r s ILE 32 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2k0r s ILE 32 CO 0.14 0.35 1.26 0.00 0.00 0.00 0.00 174.94 176.68 2k0r s ALA 33 N -1.31 2.68 0.52 9.38 0.00 0.10 -4.15 121.76 129.00 2k0r s ALA 33 Ca 0.27 1.12 0.40 0.00 0.00 0.00 0.00 51.96 53.76 2k0r s ALA 33 Cb -0.13 -3.49 2.20 0.00 0.00 0.00 0.00 23.12 21.70 2k0r s ALA 33 CO 0.17 -1.19 2.24 -0.44 0.00 0.00 0.00 175.76 176.54 2k0r h ASP 34 N 1.23 0.00 -0.52 0.00 5.19 -1.91 0.10 116.42 120.51 2k0r h ASP 34 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2k0r h ASP 34 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2k0r h ASP 34 CO 0.56 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.29 2k0r n GLY 35 N -1.12 1.41 3.18 2.75 0.00 -1.26 -4.68 105.19 105.46 2k0r n GLY 35 Ca -0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.31 0.94 -0.21 1.61 2.02 0.35 -0.97 117.35 119.77 2k0r s TYR 36 Ca 0.34 -0.99 -0.14 0.00 -0.37 0.00 0.00 57.07 55.91 2k0r s TYR 36 Cb 0.18 -0.55 0.06 0.00 -0.40 0.00 0.00 41.96 41.26 2k0r s TYR 36 CO 0.23 -0.23 0.53 1.52 -1.57 0.00 0.00 175.55 176.04 2k0r s TYR 37 N -3.71 -0.73 -0.06 2.71 1.13 0.30 -4.58 117.35 112.41 2k0r s TYR 37 Ca 0.16 1.58 0.01 0.00 -1.41 0.00 0.00 57.07 57.42 2k0r s TYR 37 Cb 0.06 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 2k0r s TYR 37 CO -0.02 -0.38 -0.08 -1.64 -2.51 0.00 0.00 175.55 170.93 2k0r s MET 38 N 1.08 2.71 0.05 -3.49 -1.94 -1.05 -0.84 119.30 115.82 2k0r s MET 38 Ca -0.06 -0.57 -0.29 0.00 -1.71 0.00 0.00 55.69 53.05 2k0r s MET 38 Cb -0.06 -2.56 -0.04 0.00 2.01 0.00 0.00 34.83 34.17 2k0r s MET 38 CO -0.10 0.66 0.94 0.71 -0.01 0.00 0.00 175.02 177.22 2k0r s TYR 39 N -0.81 3.73 0.36 -0.03 2.02 -1.20 -1.30 117.35 120.12 2k0r s TYR 39 Ca 0.13 1.70 0.12 0.00 -0.37 0.00 0.00 57.07 58.65 2k0r s TYR 39 Cb -0.11 -3.05 0.92 0.00 -0.40 0.00 0.00 41.96 39.32 2k0r s TYR 39 CO 0.02 0.11 1.80 0.37 -1.57 0.00 0.00 175.55 176.28 2k0r h GLN 40 N 6.18 0.57 -0.04 -0.62 4.15 -1.06 0.36 115.11 124.64 2k0r h GLN 40 Ca -0.42 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 58.83 2k0r h GLN 40 Cb 1.21 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2k0r h GLN 40 CO 0.73 0.38 -0.59 0.00 -1.93 0.00 0.00 178.83 177.42 2k0r h ALA 41 N 1.63 0.94 -0.01 3.38 0.00 -1.92 -3.13 119.26 120.14 2k0r h ALA 41 Ca 0.55 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.70 2k0r h ALA 41 Cb 1.10 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2k0r h ALA 41 CO -0.30 0.72 -0.95 0.87 0.00 0.00 0.00 179.25 179.59 2k0r h LYS 42 N 0.11 0.48 -6.56 0.00 1.79 -0.71 -3.44 116.57 108.23 2k0r h LYS 42 Ca -0.00 -0.51 -0.53 0.00 -2.18 0.00 0.00 60.65 57.43 2k0r h LYS 42 Cb 1.06 0.14 0.03 0.00 -1.58 0.00 0.00 32.23 31.88 2k0r h LYS 42 CO 0.08 1.15 0.76 0.42 -1.08 0.00 0.00 179.45 180.79 2k0r s ILE 43 N -3.30 3.14 0.00 1.86 1.01 0.38 -4.44 121.20 119.85 2k0r s ILE 43 Ca -0.07 0.82 0.05 0.00 0.00 0.00 0.00 60.65 61.45 2k0r s ILE 43 Cb 0.08 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.02 2k0r s ILE 43 CO 0.88 0.06 -0.16 -0.69 0.00 0.00 0.00 174.94 175.04 2k0r s VAL 44 N 1.10 1.24 -0.30 2.92 1.01 0.51 -4.94 120.40 121.95 2k0r s VAL 44 Ca 0.66 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2k0r s VAL 44 Cb -0.38 -1.05 0.19 0.00 0.00 0.00 0.00 36.38 35.13 2k0r s VAL 44 CO 0.31 0.28 0.60 -0.83 0.00 0.00 0.00 175.10 175.45 2k0r s GLY 45 N -0.56 -0.97 -0.01 4.51 0.00 -1.24 -0.12 107.32 108.92 2k0r s GLY 45 Ca 0.05 1.84 -0.01 0.00 0.00 0.00 0.00 44.72 46.61 2k0r s GLY 45 CO -0.00 3.34 0.03 1.25 0.00 0.00 0.00 173.10 177.72 2k0r s LYS 46 N 2.85 0.00 -0.03 2.90 2.36 -0.44 -4.59 119.74 122.79 2k0r s LYS 46 Ca 0.20 0.10 -0.00 0.00 -2.55 0.00 0.00 55.97 53.71 2k0r s LYS 46 Cb -0.15 -0.09 0.03 0.00 -1.05 0.00 0.00 37.83 36.57 2k0r s LYS 46 CO -0.21 -0.07 0.02 -0.08 1.55 0.00 0.00 175.35 176.56 2k0r s THR 47 N 0.43 0.10 -0.30 3.43 -1.32 -1.26 0.27 115.64 117.00 2k0r s THR 47 Ca -0.04 0.17 -0.38 0.00 -1.21 0.00 0.00 61.69 60.23 2k0r s THR 47 Cb -0.05 -0.23 0.16 0.00 -1.51 0.00 0.00 72.50 70.87 2k0r s THR 47 CO -0.01 0.15 1.39 0.54 -2.21 0.00 0.00 174.62 174.48 2k0r s ASN 48 N 1.27 -0.01 0.38 8.08 4.22 0.12 -4.40 114.94 124.59 2k0r s ASN 48 Ca -0.06 0.00 0.17 0.00 -2.14 0.00 0.00 52.86 50.82 2k0r s ASN 48 Cb -0.13 0.01 0.75 0.00 1.28 0.00 0.00 41.25 43.15 2k0r s ASN 48 CO -0.02 -0.01 1.79 1.55 -2.04 0.00 0.00 177.10 178.37 2k0r h PRO 49 N 2.00 0.00 0.00 3.55 0.13 -1.84 -1.78 132.00 134.07 2k0r h PRO 49 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2k0r h PRO 49 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k0r h PRO 49 CO 0.18 0.38 0.00 0.00 -0.23 0.00 0.00 178.00 178.33 2k0r n ALA 50 N -2.37 0.15 0.00 -0.56 0.00 -1.26 -4.78 120.51 111.69 2k0r n ALA 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k0r n ALA 50 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.36 0.00 0.06 0.00 2.03 -1.26 -5.02 116.55 109.99 2k0r n ASP 51 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2k0r n ASP 51 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2k0r n ASP 51 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k0r h LEU 52 N 0.00 0.56 -9.45 -2.67 3.38 -1.91 -3.46 115.31 101.77 2k0r h LEU 52 Ca 0.00 -0.92 -0.55 0.00 0.09 0.00 0.00 57.88 56.49 2k0r h LEU 52 Cb 0.00 -0.18 0.04 0.00 0.09 0.00 0.00 40.66 40.60 2k0r h LEU 52 CO 0.00 1.76 1.08 -0.11 0.09 0.00 0.00 178.44 181.26 2k0r n LEU 53 N -3.66 3.80 0.00 1.67 -0.00 -1.26 -3.14 117.00 114.41 2k0r n LEU 53 Ca -0.25 0.99 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 2k0r n LEU 53 Cb 1.04 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 2k0r n LEU 53 CO 0.49 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.55 2k0r n GLY 54 N 4.18 -1.70 3.05 -3.96 0.00 -1.09 -4.90 105.19 100.77 2k0r n GLY 54 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 0.51 0.42 1.61 -2.07 -1.26 -5.07 119.66 113.80 2k0r s GLN 55 Ca 0.00 -0.98 -0.25 0.00 -1.82 0.00 0.00 55.36 52.31 2k0r s GLN 55 Cb 0.00 0.12 -0.08 0.00 -1.09 0.00 0.00 33.01 31.96 2k0r s GLN 55 CO 0.00 -0.07 1.18 -1.25 -1.32 0.00 0.00 175.29 173.83 2k0r s PRO 56 N -2.89 3.95 -0.51 9.60 0.04 -1.26 -4.31 135.00 139.62 2k0r s PRO 56 Ca -0.02 1.85 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2k0r s PRO 56 Cb 0.00 -2.60 0.13 0.00 0.04 0.00 0.00 34.50 32.07 2k0r s PRO 56 CO -0.06 -0.41 0.27 0.45 0.04 0.00 0.00 177.00 177.29 2k0r s SER 57 N -1.16 4.67 0.50 6.66 0.15 0.11 -4.90 113.70 119.73 2k0r s SER 57 Ca 0.59 -2.78 -0.23 0.00 0.70 0.00 0.00 55.95 54.23 2k0r s SER 57 Cb -0.31 -1.70 -0.06 0.00 -1.71 0.00 0.00 66.02 62.24 2k0r s SER 57 CO 0.38 -0.31 1.30 -0.36 1.20 0.00 0.00 173.24 175.45 2k0r s PHE 58 N 0.04 2.53 -1.16 3.44 0.08 -1.26 -0.83 117.98 120.82 2k0r s PHE 58 Ca 0.15 1.42 0.15 0.00 0.12 0.00 0.00 56.93 58.78 2k0r s PHE 58 Cb -0.23 -3.66 0.70 0.00 -0.57 0.00 0.00 43.02 39.25 2k0r s PHE 58 CO -0.02 -2.39 1.47 0.45 -0.10 0.00 0.00 175.22 174.63 2k0r n SER 59 N -0.70 0.00 -1.83 1.36 2.88 0.08 -4.92 113.62 110.50 2k0r n SER 59 Ca 0.08 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2k0r n SER 59 Cb 0.46 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.42 -3.93 0.00 -1.46 4.76 -1.26 -5.03 118.16 109.81 2k0r n LYS 60 Ca 0.05 2.96 0.00 0.00 -2.87 0.00 0.00 58.31 58.45 2k0r n LYS 60 Cb 0.16 -3.36 0.00 0.00 -1.84 0.00 0.00 35.03 29.98 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 1.36 0.58 3.27 0.72 0.00 -1.26 -5.09 105.19 104.77 2k0r n GLY 61 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 3.31 1.48 0.11 1.61 2.02 -0.52 -4.89 118.70 121.82 2k0r s GLU 62 Ca 0.00 -0.98 -0.28 0.00 0.02 0.00 0.00 54.97 53.73 2k0r s GLU 62 Cb 0.00 -1.62 -0.06 0.00 0.10 0.00 0.00 34.13 32.55 2k0r s GLU 62 CO 0.00 0.41 0.87 -2.00 0.02 0.00 0.00 175.26 174.57 2k0r s GLU 63 N -1.19 4.63 -0.01 1.61 2.12 -1.26 -0.40 118.70 124.19 2k0r s GLU 63 Ca 0.08 1.29 -0.07 0.00 0.36 0.00 0.00 54.97 56.64 2k0r s GLU 63 Cb -0.09 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2k0r s GLU 63 CO 0.02 0.30 0.14 0.21 -0.54 0.00 0.00 175.26 175.39 2k0r s LYS 64 N -0.25 0.41 -0.10 4.30 2.36 -0.03 -4.96 119.74 121.47 2k0r s LYS 64 Ca 0.42 -0.27 0.01 0.00 -2.55 0.00 0.00 55.97 53.59 2k0r s LYS 64 Cb -0.23 0.17 -0.02 0.00 -1.05 0.00 0.00 37.83 36.71 2k0r s LYS 64 CO 0.27 -0.09 -0.13 -1.21 1.55 0.00 0.00 175.35 175.74 2k0r s GLU 65 N -1.06 3.06 0.00 4.03 8.01 -1.25 -1.29 118.70 130.20 2k0r s GLU 65 Ca -0.11 -0.68 0.00 0.00 0.01 0.00 0.00 54.97 54.18 2k0r s GLU 65 Cb -0.06 -2.54 0.00 0.00 -4.31 0.00 0.00 34.13 27.21 2k0r s GLU 65 CO 0.01 0.37 0.00 -3.47 0.01 0.00 0.00 175.26 172.18 2k0r n ASP 66 N 3.06 0.00 -0.03 -0.19 -0.08 0.16 -4.93 116.55 114.54 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 -0.06 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 3.12 0.00 -0.67 0.28 -1.26 -2.41 120.64 119.69 2k0r n GLU 67 Ca 0.00 -0.07 0.15 0.00 -0.16 0.00 0.00 57.16 57.08 2k0r n GLU 67 Cb 0.00 -1.05 0.81 0.00 1.43 0.00 0.00 31.44 32.63 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 -1.16 0.00 0.00 -1.84 3.01 -1.26 -4.57 117.46 111.64 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 0.18 -0.04 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 -0.75 0.00 0.00 1.38 -1.74 -1.26 -5.15 117.46 109.93 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 -0.42 0.30 3.31 4.97 0.00 -1.01 -4.91 105.19 107.43 2k0r n GLY 70 Ca 0.00 -1.83 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 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 2.87 0.26 1.61 1.04 -1.26 -0.66 118.95 122.81 2k0r s ARG 71 Ca 0.00 -1.62 -0.11 0.00 -1.04 0.00 0.00 55.73 52.95 2k0r s ARG 71 Cb 0.00 -4.16 -0.00 0.00 -2.04 0.00 0.00 34.95 28.74 2k0r s ARG 71 CO 0.00 -1.21 0.47 -1.14 -0.04 0.00 0.00 175.30 173.37 2k0r s GLN 72 N 1.56 1.58 0.18 3.89 2.00 -0.41 -4.93 119.66 123.52 2k0r s GLN 72 Ca 0.04 -1.32 -0.24 0.00 -2.00 0.00 0.00 55.36 51.84 2k0r s GLN 72 Cb -0.28 0.46 -0.08 0.00 0.80 0.00 0.00 33.01 33.92 2k0r s GLN 72 CO 0.03 -0.65 0.77 0.99 -0.50 0.00 0.00 175.29 175.92 2k0r s THR 73 N -3.91 4.41 0.25 -0.34 2.01 -1.26 -0.85 115.64 115.94 2k0r s THR 73 Ca 0.24 1.62 0.01 0.00 0.31 0.00 0.00 61.69 63.87 2k0r s THR 73 Cb -0.00 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2k0r s THR 73 CO 0.10 0.46 0.20 0.68 -0.69 0.00 0.00 174.62 175.37 2k0r s VAL 74 N -1.23 0.00 -0.03 3.82 -7.23 0.46 -0.38 120.40 115.81 2k0r s VAL 74 Ca 0.37 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.65 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 0.25 0.00 -0.25 -0.31 -0.31 0.00 0.00 175.10 174.48 2k0r s TYR 75 N -3.90 2.38 -1.74 2.82 2.02 -0.42 -1.44 117.35 117.07 2k0r s TYR 75 Ca 0.39 -0.51 0.23 0.00 -0.37 0.00 0.00 57.07 56.81 2k0r s TYR 75 Cb 0.05 -1.54 0.10 0.00 -0.40 0.00 0.00 41.96 40.17 2k0r s TYR 75 CO 0.17 -0.08 1.14 -2.39 -1.57 0.00 0.00 175.55 172.83 2k0r n HIS 76 N 2.58 0.00 0.04 2.71 1.44 -1.26 -2.54 115.22 118.19 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 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.59 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 -0.49 -2.66 -2.65 -1.40 -0.00 -1.26 -4.16 115.22 102.62 2k0r n HIS 77 Ca 0.08 0.27 -0.42 0.00 -0.00 0.00 0.00 57.72 57.65 2k0r n HIS 77 Cb 0.42 1.05 -0.03 0.00 -0.00 0.00 0.00 29.99 31.43 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 -1.89 4.41 -0.35 1.57 -1.05 -1.26 -0.02 118.70 120.11 2k0r s GLU 78 Ca 0.00 1.44 0.04 0.00 -0.15 0.00 0.00 54.97 56.30 2k0r s GLU 78 Cb 0.00 -3.54 0.17 0.00 -0.44 0.00 0.00 34.13 30.31 2k0r s GLU 78 CO 0.00 -0.34 0.47 0.00 0.95 0.00 0.00 175.26 176.34 2k0r s ALA 79 N 2.04 -1.32 0.14 -0.84 0.00 -1.17 -4.78 121.76 115.83 2k0r s ALA 79 Ca 0.50 -0.13 0.11 0.00 0.00 0.00 0.00 51.96 52.43 2k0r s ALA 79 Cb -0.19 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2k0r s ALA 79 CO 0.19 -2.01 -0.26 1.14 0.00 0.00 0.00 175.76 174.81 2k0r s GLN 80 N 2.01 1.41 -0.03 0.00 -2.07 -1.26 -1.06 119.66 118.66 2k0r s GLN 80 Ca 0.14 -1.37 0.01 0.00 -1.82 0.00 0.00 55.36 52.32 2k0r s GLN 80 Cb -0.11 -1.87 0.01 0.00 -1.09 0.00 0.00 33.01 29.95 2k0r s GLN 80 CO -0.15 0.44 -0.05 0.08 -1.32 0.00 0.00 175.29 174.28 2k0r s VAL 81 N -1.17 0.52 -0.07 3.63 1.01 0.10 -0.74 120.40 123.68 2k0r s VAL 81 Ca 0.15 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 2k0r s VAL 81 Cb -0.10 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2k0r s VAL 81 CO 0.07 0.19 0.33 0.00 0.00 0.00 0.00 175.10 175.69 2k0r s ALA 82 N 0.51 3.69 -0.79 5.51 0.00 -0.01 -1.93 121.76 128.75 2k0r s ALA 82 Ca -0.07 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.55 2k0r s ALA 82 Cb -0.10 -2.32 0.19 0.00 0.00 0.00 0.00 23.12 20.89 2k0r s ALA 82 CO 0.00 0.38 0.62 -0.06 0.00 0.00 0.00 175.76 176.70 2k0r s PHE 83 N -0.56 3.72 -0.12 0.00 0.08 0.17 0.07 117.98 121.34 2k0r s PHE 83 Ca 0.20 -3.20 -0.29 0.00 0.12 0.00 0.00 56.93 53.76 2k0r s PHE 83 Cb -0.15 -2.96 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 2k0r s PHE 83 CO 0.09 -0.64 1.54 -1.25 -0.10 0.00 0.00 175.22 174.86 2k0r s PRO 84 N -1.39 4.10 0.81 0.24 0.04 -1.26 -1.54 135.00 135.99 2k0r s PRO 84 Ca 0.26 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 2k0r s PRO 84 Cb -0.06 -3.94 0.08 0.00 0.04 0.00 0.00 34.50 30.62 2k0r s PRO 84 CO -0.14 -0.92 1.13 0.71 0.04 0.00 0.00 177.00 177.81 2k0r s TYR 85 N 4.18 2.18 -0.03 0.56 2.02 -1.20 -2.69 117.35 122.37 2k0r s TYR 85 Ca 0.68 1.65 0.01 0.00 -0.37 0.00 0.00 57.07 59.04 2k0r s TYR 85 Cb -0.28 -3.21 -0.03 0.00 -0.40 0.00 0.00 41.96 38.04 2k0r s TYR 85 CO 0.26 -2.24 -0.01 0.00 -1.57 0.00 0.00 175.55 171.98 2k0r n ALA 86 N -3.59 1.93 -3.36 3.71 0.00 -1.19 -4.70 120.51 113.31 2k0r n ALA 86 Ca 0.11 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 2k0r n ALA 86 Cb 0.52 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 20.22 2k0r n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k0r s LYS 87 N -2.07 0.88 0.26 0.00 2.20 -1.26 -5.06 119.74 114.69 2k0r s LYS 87 Ca -0.03 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 2k0r s LYS 87 Cb 0.01 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 2k0r s LYS 87 CO 0.09 -0.27 0.00 0.00 -0.36 0.00 0.00 175.35 174.82 2k0r n ALA 88 N 1.01 -2.34 -3.46 3.13 0.00 -1.26 -4.83 120.51 112.76 2k0r n ALA 88 Ca -0.20 0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 2k0r n ALA 88 Cb 0.57 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 2k0r n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k0r s VAL 89 N -1.65 -0.58 0.00 0.00 1.01 -1.26 -4.90 120.40 113.02 2k0r s VAL 89 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2k0r s VAL 89 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2k0r s VAL 89 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.65 2k0r n GLY 90 N 5.37 0.80 3.97 4.51 0.00 -1.26 -5.14 105.19 113.43 2k0r n GLY 90 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.43 0.73 1.61 2.02 -1.26 -5.06 118.70 120.17 2k0r s GLU 91 Ca 0.00 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 54.13 2k0r s GLU 91 Cb 0.00 -2.87 0.03 0.00 0.10 0.00 0.00 34.13 31.40 2k0r s GLU 91 CO 0.00 0.39 1.10 -1.25 0.02 0.00 0.00 175.26 175.52 2k0r s PRO 92 N -4.02 2.47 0.23 0.39 0.04 -1.26 -4.96 135.00 127.89 2k0r s PRO 92 Ca 0.35 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 2k0r s PRO 92 Cb -0.09 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2k0r s PRO 92 CO 0.30 -1.49 0.54 1.52 0.04 0.00 0.00 177.00 177.90 2k0r s TYR 93 N -2.68 0.07 -0.03 0.56 -0.85 -0.90 -4.40 117.35 109.13 2k0r s TYR 93 Ca 0.63 -0.44 -0.01 0.00 -0.52 0.00 0.00 57.07 56.73 2k0r s TYR 93 Cb -0.18 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 2k0r s TYR 93 CO 0.50 -1.00 0.06 0.21 -1.52 0.00 0.00 175.55 173.80 2k0r s LYS 94 N -3.94 3.06 0.06 -3.49 2.36 -0.67 -1.40 119.74 115.72 2k0r s LYS 94 Ca 0.15 -0.45 0.08 0.00 -2.55 0.00 0.00 55.97 53.20 2k0r s LYS 94 Cb -0.02 -2.86 -0.03 0.00 -1.05 0.00 0.00 37.83 33.87 2k0r s LYS 94 CO 0.04 0.67 -0.21 -1.17 1.55 0.00 0.00 175.35 176.22 2k0r s LEU 95 N -1.49 2.47 -0.14 5.43 0.20 0.67 -0.70 118.68 125.12 2k0r s LEU 95 Ca 0.20 -0.52 -0.03 0.00 0.69 0.00 0.00 54.13 54.47 2k0r s LEU 95 Cb -0.12 -1.43 0.05 0.00 -0.43 0.00 0.00 46.19 44.26 2k0r s LEU 95 CO 0.10 0.24 0.04 -0.69 -0.29 0.00 0.00 176.35 175.75 2k0r s VAL 96 N -0.94 0.27 -0.06 1.68 1.01 0.14 -0.76 120.40 121.74 2k0r s VAL 96 Ca 0.14 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.01 2k0r s VAL 96 Cb -0.10 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 2k0r s VAL 96 CO 0.05 -0.04 -0.20 -0.76 0.00 0.00 0.00 175.10 174.15 2k0r s LEU 97 N 1.99 2.40 -0.06 3.92 2.01 0.98 -1.33 118.68 128.58 2k0r s LEU 97 Ca 0.02 -0.37 -0.00 0.00 0.01 0.00 0.00 54.13 53.79 2k0r s LEU 97 Cb -0.15 -1.47 0.02 0.00 0.01 0.00 0.00 46.19 44.61 2k0r s LEU 97 CO -0.07 0.27 -0.03 -0.89 1.01 0.00 0.00 176.35 176.64 2k0r s THR 98 N -0.31 0.54 -0.09 5.49 2.01 0.82 0.00 115.64 124.10 2k0r s THR 98 Ca 0.02 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.00 2k0r s THR 98 Cb -0.13 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 2k0r s THR 98 CO 0.02 0.26 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.71 2k0r s TYR 99 N 1.43 2.62 -0.22 4.92 2.02 -0.06 -0.36 117.35 127.70 2k0r s TYR 99 Ca -0.03 -0.72 -0.10 0.00 -0.37 0.00 0.00 57.07 55.85 2k0r s TYR 99 Cb -0.13 -1.71 0.09 0.00 -0.40 0.00 0.00 41.96 39.80 2k0r s TYR 99 CO -0.03 -0.22 0.51 -1.14 -1.57 0.00 0.00 175.55 173.09 2k0r s GLN 100 N 0.07 0.46 0.00 -0.62 2.00 -1.26 -0.43 119.66 119.88 2k0r s GLN 100 Ca -0.08 1.08 0.00 0.00 -2.00 0.00 0.00 55.36 54.36 2k0r s GLN 100 Cb -0.15 0.30 0.00 0.00 0.80 0.00 0.00 33.01 33.95 2k0r s GLN 100 CO 0.05 -0.20 0.00 0.41 -0.50 0.00 0.00 175.29 175.06 2k0r n GLY 101 N 4.88 2.95 3.25 2.59 0.00 -1.26 -3.22 105.19 114.38 2k0r n GLY 101 Ca -0.15 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 2.00 0.13 0.04 1.61 0.01 -0.02 -3.83 113.70 113.65 2k0r s SER 102 Ca 0.00 -1.30 -0.16 0.00 1.31 0.00 0.00 55.95 55.80 2k0r s SER 102 Cb 0.00 0.40 -0.06 0.00 0.21 0.00 0.00 66.02 66.57 2k0r s SER 102 CO 0.00 -0.87 0.48 0.00 0.41 0.00 0.00 173.24 173.26 2k0r s ALA 103 N -4.13 3.65 0.66 1.44 0.00 0.84 -0.54 121.76 123.69 2k0r s ALA 103 Ca 0.35 -0.13 0.40 0.00 0.00 0.00 0.00 51.96 52.58 2k0r s ALA 103 Cb 0.06 -2.48 2.21 0.00 0.00 0.00 0.00 23.12 22.91 2k0r s ALA 103 CO 0.10 0.46 2.26 1.49 0.00 0.00 0.00 175.76 180.07 2k0r h GLU 104 N 4.48 0.00 0.00 0.00 4.81 -1.36 0.65 114.58 123.16 2k0r h GLU 104 Ca -0.51 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.56 2k0r h GLU 104 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2k0r h GLU 104 CO 0.63 0.00 -0.78 0.00 -0.73 0.00 0.00 179.01 178.13 2k0r h ALA 105 N 1.84 0.62 0.00 2.92 0.00 -1.87 -3.47 119.26 119.30 2k0r h ALA 105 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2k0r h ALA 105 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k0r h ALA 105 CO -0.00 0.97 0.00 0.41 0.00 0.00 0.00 179.25 180.63 2k0r n GLY 106 N 0.92 0.87 3.31 0.00 0.00 0.22 -5.15 105.19 105.36 2k0r n GLY 106 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2k0r n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k0r s VAL 107 N -1.14 2.00 -0.17 1.61 1.01 -1.20 -4.93 120.40 117.58 2k0r s VAL 107 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2k0r s VAL 107 Cb 0.00 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2k0r s VAL 107 CO 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 175.10 175.29 2k0r s TYR 109 N 1.26 2.66 0.83 0.00 1.13 -1.25 -5.06 117.35 116.92 2k0r s TYR 109 Ca 0.03 -0.23 -0.11 0.00 -1.41 0.00 0.00 57.07 55.35 2k0r s TYR 109 Cb -0.13 -1.18 0.09 0.00 -1.10 0.00 0.00 41.96 39.64 2k0r s TYR 109 CO -0.11 0.63 1.09 -1.25 -2.51 0.00 0.00 175.55 173.40 2k0r s PRO 110 N -3.64 1.80 0.58 -3.49 0.04 -1.26 -4.64 135.00 124.39 2k0r s PRO 110 Ca 0.31 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 2k0r s PRO 110 Cb -0.06 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 2k0r s PRO 110 CO 0.19 -1.91 1.12 -1.25 0.04 0.00 0.00 177.00 175.19 2k0r s PRO 111 N -4.92 3.18 -0.23 0.56 0.04 -1.26 -4.83 135.00 127.54 2k0r s PRO 111 Ca 0.62 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2k0r s PRO 111 Cb -0.18 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k0r s PRO 111 CO 0.56 -0.98 -0.08 0.08 0.04 0.00 0.00 177.00 176.63 2k0r s VAL 112 N -1.95 1.68 -0.12 -0.36 1.01 0.43 -4.99 120.40 116.10 2k0r s VAL 112 Ca 0.71 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2k0r s VAL 112 Cb -0.23 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2k0r s VAL 112 CO 0.32 0.01 0.12 1.51 0.00 0.00 0.00 175.10 177.05 2k0r s ASP 113 N 1.35 6.22 -0.21 3.32 -4.77 -1.26 -0.88 116.67 120.44 2k0r s ASP 113 Ca -0.05 0.42 -0.09 0.00 -3.30 0.00 0.00 52.55 49.53 2k0r s ASP 113 Cb -0.18 -1.99 0.09 0.00 -1.09 0.00 0.00 42.92 39.75 2k0r s ASP 113 CO -0.07 0.40 0.47 0.42 0.70 0.00 0.00 175.17 177.09 2k0r s THR 114 N -0.97 -0.47 -0.06 2.11 -4.23 0.10 -5.00 115.64 107.11 2k0r s THR 114 Ca 0.15 0.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.74 2k0r s THR 114 Cb -0.12 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 2k0r s THR 114 CO 0.04 0.05 0.07 -1.61 -0.54 0.00 0.00 174.62 172.62 2k0r s GLU 115 N 2.24 3.12 -0.12 3.99 8.01 -1.26 -0.02 118.70 134.66 2k0r s GLU 115 Ca -0.05 -0.38 0.03 0.00 0.01 0.00 0.00 54.97 54.57 2k0r s GLU 115 Cb -0.10 -2.91 0.01 0.00 -4.31 0.00 0.00 34.13 26.82 2k0r s GLU 115 CO -0.14 0.70 -0.20 -0.06 0.01 0.00 0.00 175.26 175.56 2k0r s PHE 116 N -1.05 2.42 -0.38 1.61 0.08 0.06 -4.94 117.98 115.78 2k0r s PHE 116 Ca 0.18 -1.16 -0.24 0.00 0.12 0.00 0.00 56.93 55.83 2k0r s PHE 116 Cb -0.12 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2k0r s PHE 116 CO 0.08 -0.53 0.84 -0.51 -0.10 0.00 0.00 175.22 174.99 2k0r s ASP 117 N 0.78 6.57 -0.10 1.36 1.11 -1.26 -0.24 116.67 124.89 2k0r s ASP 117 Ca -0.09 0.35 -0.14 0.00 0.18 0.00 0.00 52.55 52.86 2k0r s ASP 117 Cb -0.16 -2.42 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 2k0r s ASP 117 CO 0.00 -0.82 0.34 -0.63 1.18 0.00 0.00 175.17 175.24 2k0r s ILE 118 N 3.29 5.22 -0.01 0.77 -1.09 -0.49 -4.92 121.20 123.97 2k0r s ILE 118 Ca 0.34 0.66 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 2k0r s ILE 118 Cb -0.12 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 2k0r s ILE 118 CO 0.19 0.47 0.80 2.22 -1.23 0.00 0.00 174.94 177.39 2k0r n PHE 119 N 2.79 -0.07 -0.06 3.97 1.16 -1.26 -2.11 117.46 121.89 2k0r n PHE 119 Ca -0.13 -0.43 0.00 0.00 -1.87 0.00 0.00 57.45 55.02 2k0r n PHE 119 Cb 0.52 0.48 0.00 0.00 -1.61 0.00 0.00 39.48 38.88 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 -0.05 0.24 0.02 4.97 0.00 -1.26 -4.98 105.19 104.13 2k0r n GLY 120 Ca -0.21 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.79 1.86 3.76 8.20 0.00 -1.26 -4.98 105.19 111.99 2k0r n GLY 122 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 5.00 0.00 2.61 2.01 -1.26 -1.09 115.64 122.92 2k0r s THR 123 Ca 0.00 1.13 -0.03 0.00 0.31 0.00 0.00 61.69 63.10 2k0r s THR 123 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 2k0r s THR 123 CO 0.00 0.41 0.05 -0.31 -0.69 0.00 0.00 174.62 174.07 2k0r s TYR 124 N -0.05 0.11 0.03 4.92 1.51 -1.19 -4.98 117.35 117.70 2k0r s TYR 124 Ca 0.29 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 2k0r s TYR 124 Cb -0.17 -0.09 0.01 0.00 -0.11 0.00 0.00 41.96 41.60 2k0r s TYR 124 CO 0.15 -0.18 0.22 -1.01 -1.11 0.00 0.00 175.55 173.63 2k0r s HIS 125 N -1.04 -0.00 0.32 2.71 3.76 -1.26 -2.51 115.29 117.26 2k0r s HIS 125 Ca -0.11 -0.17 -0.28 0.00 -0.15 0.00 0.00 55.06 54.34 2k0r s HIS 125 Cb -0.07 0.01 -0.10 0.00 1.11 0.00 0.00 32.58 33.53 2k0r s HIS 125 CO 0.00 -0.43 1.22 -1.25 -0.85 0.00 0.00 174.74 173.43 2k0r s PRO 126 N -2.38 4.41 -0.94 8.40 0.04 -1.26 -4.96 135.00 138.30 2k0r s PRO 126 Ca -0.06 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 2k0r s PRO 126 Cb -0.02 -3.06 0.33 0.00 0.04 0.00 0.00 34.50 31.80 2k0r s PRO 126 CO -0.03 -0.08 1.91 1.04 0.04 0.00 0.00 177.00 179.89 2k0r n GLN 127 N 0.82 4.19 0.00 4.56 6.02 -1.26 -5.19 117.38 126.52 2k0r n GLN 127 Ca 0.00 -4.14 0.00 0.00 -0.01 0.00 0.00 57.00 52.85 2k0r n GLN 127 Cb 0.43 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.32 2k0r n GLN 127 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68