#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9f n ALA 2 N 0.00 -0.01 -0.00 3.04 0.00 -1.26 -4.85 120.51 117.43 2k9f n ALA 2 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k9f n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k9f n ALA 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k9f h LEU 3 N 0.00 0.00 1.03 0.00 5.85 -2.04 -3.48 115.31 116.67 2k9f h LEU 3 Ca 0.00 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 58.31 2k9f h LEU 3 Cb 0.00 0.00 0.06 0.00 0.37 0.00 0.00 40.66 41.09 2k9f h LEU 3 CO 0.00 0.05 -0.61 0.47 -0.34 0.00 0.00 178.44 178.01 2k9f n ASP 4 N -2.38 -6.19 -4.04 1.25 8.00 -1.26 -4.96 116.55 106.98 2k9f n ASP 4 Ca -0.00 -0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.12 2k9f n ASP 4 Cb 0.02 -5.00 -0.09 0.00 -0.02 0.00 0.00 41.12 36.03 2k9f n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k9f s ALA 5 N -3.19 0.38 0.00 2.24 0.00 -1.26 -1.41 121.76 118.52 2k9f s ALA 5 Ca 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2k9f s ALA 5 Cb -0.13 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.61 2k9f s ALA 5 CO 0.37 -0.49 0.00 0.09 0.00 0.00 0.00 175.76 175.73 2k9f n ASN 6 N -0.05 -1.56 -0.98 0.00 4.13 0.13 -3.82 115.26 113.11 2k9f n ASN 6 Ca -0.10 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.24 2k9f n ASN 6 Cb 0.63 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 39.14 2k9f n ASN 6 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2k9f n ASP 7 N -2.56 4.00 -1.58 6.41 5.75 -1.26 -4.36 116.55 122.94 2k9f n ASP 7 Ca 0.00 -3.03 -0.08 0.00 -0.01 0.00 0.00 54.79 51.66 2k9f n ASP 7 Cb 0.00 -0.56 0.03 0.00 -1.03 0.00 0.00 41.12 39.56 2k9f n ASP 7 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k9f n LEU 8 N -0.45 5.28 -3.64 -2.12 4.32 -1.25 -4.77 117.00 114.37 2k9f n LEU 8 Ca 0.22 -2.61 -0.12 0.00 -0.02 0.00 0.00 56.01 53.48 2k9f n LEU 8 Cb 0.92 -0.91 -0.07 0.00 -1.62 0.00 0.00 43.42 41.74 2k9f n LEU 8 CO 0.17 0.96 0.35 -1.48 -1.22 0.00 0.00 177.39 176.17 2k9f s LEU 9 N -0.98 -0.69 0.60 2.23 2.34 -1.26 -4.98 118.68 115.93 2k9f s LEU 9 Ca 0.17 1.40 -0.20 0.00 0.06 0.00 0.00 54.13 55.56 2k9f s LEU 9 Cb 0.13 2.31 -0.03 0.00 -0.56 0.00 0.00 46.19 48.04 2k9f s LEU 9 CO 0.01 -0.24 1.24 -0.81 -1.06 0.00 0.00 176.35 175.50 2k9f n PRO 10 N 3.29 1.29 -0.34 1.48 -0.04 -1.26 -4.69 135.00 134.73 2k9f n PRO 10 Ca -0.16 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 2k9f n PRO 10 Cb 0.56 -2.46 0.32 0.00 -0.04 0.00 0.00 33.50 31.89 2k9f n PRO 10 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2k9f h PRO 11 N 0.88 0.77 0.00 0.54 0.13 -1.97 0.15 132.00 132.49 2k9f h PRO 11 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2k9f h PRO 11 Cb 1.33 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k9f h PRO 11 CO 0.54 0.51 0.00 -0.85 -0.23 0.00 0.00 178.00 177.97 2k9f n GLU 12 N -4.67 0.10 0.00 0.86 0.00 -1.26 -1.91 120.64 113.76 2k9f n GLU 12 Ca 0.21 0.38 0.01 0.00 0.00 0.00 0.00 57.16 57.76 2k9f n GLU 12 Cb 0.51 -1.71 0.01 0.00 0.00 0.00 0.00 31.44 30.25 2k9f n GLU 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2k9f n LYS 13 N -1.90 -0.49 0.10 3.44 0.00 0.33 -4.56 118.16 115.07 2k9f n LYS 13 Ca 0.02 -0.67 0.12 0.00 0.00 0.00 0.00 58.31 57.78 2k9f n LYS 13 Cb 0.18 -1.05 0.02 0.00 0.00 0.00 0.00 35.03 34.18 2k9f n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k9f h ALA 14 N 0.58 0.51 -3.27 3.14 0.00 -0.30 -3.45 119.26 116.47 2k9f h ALA 14 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2k9f h ALA 14 Cb 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.56 2k9f h ALA 14 CO 0.00 0.00 -0.82 -0.06 0.00 0.00 0.00 179.25 178.37 2k9f s PHE 15 N -3.33 1.73 -0.65 0.00 0.08 -1.20 -0.87 117.98 113.73 2k9f s PHE 15 Ca 0.01 -0.80 -0.05 0.00 0.12 0.00 0.00 56.93 56.20 2k9f s PHE 15 Cb 0.10 -1.30 0.17 0.00 -0.57 0.00 0.00 43.02 41.42 2k9f s PHE 15 CO 0.78 -0.45 0.50 0.08 -0.10 0.00 0.00 175.22 176.03 2k9f s VAL 16 N 1.13 4.11 -0.58 -0.44 1.01 0.44 -4.91 120.40 121.17 2k9f s VAL 16 Ca -0.05 -2.78 -0.28 0.00 0.00 0.00 0.00 61.98 58.88 2k9f s VAL 16 Cb -0.14 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2k9f s VAL 16 CO -0.03 -0.90 1.48 -2.84 0.00 0.00 0.00 175.10 172.81 2k9f s PRO 17 N 0.09 3.20 -0.34 2.72 0.02 -1.26 -0.17 135.00 139.25 2k9f s PRO 17 Ca 0.16 0.43 -0.12 0.00 0.02 0.00 0.00 61.00 61.49 2k9f s PRO 17 Cb -0.19 -4.17 -0.01 0.00 0.02 0.00 0.00 34.50 30.15 2k9f s PRO 17 CO -0.04 -2.07 0.23 -1.21 -0.33 0.00 0.00 177.00 173.58 2k9f s GLU 18 N 5.75 3.43 -0.31 5.54 2.02 -0.47 -4.65 118.70 130.01 2k9f s GLU 18 Ca 0.53 -0.69 -0.23 0.00 0.02 0.00 0.00 54.97 54.61 2k9f s GLU 18 Cb -0.11 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.34 2k9f s GLU 18 CO 0.24 -0.46 0.77 -0.51 0.02 0.00 0.00 175.26 175.32 2k9f s LEU 19 N 1.70 4.09 -0.46 1.80 2.01 -1.23 -1.52 118.68 125.07 2k9f s LEU 19 Ca 0.06 0.63 -0.08 0.00 0.01 0.00 0.00 54.13 54.74 2k9f s LEU 19 Cb -0.17 -3.05 0.12 0.00 0.01 0.00 0.00 46.19 43.10 2k9f s LEU 19 CO 0.10 -0.61 0.32 0.00 1.01 0.00 0.00 176.35 177.17 2k9f s ALA 20 N 2.93 3.35 -0.29 4.21 0.00 -0.42 -4.07 121.76 127.47 2k9f s ALA 20 Ca 0.32 -2.55 -0.16 0.00 0.00 0.00 0.00 51.96 49.57 2k9f s ALA 20 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 2k9f s ALA 20 CO 0.13 -1.89 0.44 0.08 0.00 0.00 0.00 175.76 174.52 2k9f s VAL 21 N 1.31 5.11 0.00 0.00 1.01 -1.25 -0.40 120.40 126.17 2k9f s VAL 21 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2k9f s VAL 21 Cb -0.25 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2k9f s VAL 21 CO -0.01 0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.11 2k9f n ALA 22 N 5.49 0.00 0.01 5.51 0.00 -0.63 -4.93 120.51 125.96 2k9f n ALA 22 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 2k9f n ALA 22 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 2k9f n ALA 22 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k9f h ASP 23 N 0.00 0.31 -0.29 0.00 3.58 -2.03 -3.37 116.42 114.62 2k9f h ASP 23 Ca 0.00 -0.63 -0.18 0.00 0.42 0.00 0.00 57.03 56.63 2k9f h ASP 23 Cb 0.00 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2k9f h ASP 23 CO 0.00 1.56 -0.53 -0.78 -2.88 0.00 0.00 179.24 176.61 2k9f h ASP 24 N 0.05 0.97 -0.66 2.28 3.58 -1.97 -3.49 116.42 117.18 2k9f h ASP 24 Ca -0.36 -0.53 0.10 0.00 0.42 0.00 0.00 57.03 56.66 2k9f h ASP 24 Cb 2.03 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.78 2k9f h ASP 24 CO 0.10 1.32 0.26 0.61 -2.88 0.00 0.00 179.24 178.64 2k9f n GLY 25 N 0.36 0.47 3.81 -0.78 0.00 -1.26 -4.33 105.19 103.46 2k9f n GLY 25 Ca -0.04 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 2k9f n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k9f s VAL 26 N -2.09 5.42 -0.21 1.61 1.01 -1.18 -1.60 120.40 123.36 2k9f s VAL 26 Ca 0.08 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.36 2k9f s VAL 26 Cb -0.00 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.96 2k9f s VAL 26 CO -0.00 0.54 -0.12 0.21 0.00 0.00 0.00 175.10 175.72 2k9f s ASN 27 N -0.45 3.67 -0.17 3.32 2.47 0.46 -0.73 114.94 123.52 2k9f s ASN 27 Ca 0.14 -1.00 -0.18 0.00 0.42 0.00 0.00 52.86 52.23 2k9f s ASN 27 Cb -0.12 -1.37 -0.04 0.00 -1.45 0.00 0.00 41.25 38.28 2k9f s ASN 27 CO 0.03 -0.14 0.48 0.54 -3.72 0.00 0.00 177.10 174.29 2k9f s VAL 28 N 1.29 5.16 -0.47 -5.21 0.11 -0.38 -1.29 120.40 119.60 2k9f s VAL 28 Ca -0.03 0.90 0.03 0.00 -2.93 0.00 0.00 61.98 59.95 2k9f s VAL 28 Cb -0.17 -3.81 0.14 0.00 -1.53 0.00 0.00 36.38 31.01 2k9f s VAL 28 CO -0.08 0.25 0.27 -0.60 -3.33 0.00 0.00 175.10 171.61 2k9f s ARG 29 N 1.16 1.50 -0.34 1.54 3.00 -0.58 -1.80 118.95 123.43 2k9f s ARG 29 Ca 0.24 -2.23 -0.18 0.00 -1.00 0.00 0.00 55.73 52.55 2k9f s ARG 29 Cb -0.15 -2.57 -0.01 0.00 0.00 0.00 0.00 34.95 32.22 2k9f s ARG 29 CO 0.09 -1.17 0.52 -0.59 0.00 0.00 0.00 175.30 174.15 2k9f s PHE 30 N 0.08 3.19 -0.27 5.12 -0.71 -1.24 -1.37 117.98 122.77 2k9f s PHE 30 Ca 0.19 0.26 -0.29 0.00 -1.04 0.00 0.00 56.93 56.05 2k9f s PHE 30 Cb -0.22 -2.91 -0.00 0.00 -1.21 0.00 0.00 43.02 38.68 2k9f s PHE 30 CO -0.02 -0.50 1.33 1.03 -1.34 0.00 0.00 175.22 175.71 2k9f s ARG 31 N 2.40 3.95 -0.08 1.99 0.52 0.76 -4.44 118.95 124.05 2k9f s ARG 31 Ca 0.19 1.34 -0.14 0.00 -0.52 0.00 0.00 55.73 56.61 2k9f s ARG 31 Cb -0.15 -3.88 -0.05 0.00 0.52 0.00 0.00 34.95 31.39 2k9f s ARG 31 CO 0.13 -1.08 0.35 0.42 0.02 0.00 0.00 175.30 175.14 2k9f s ILE 32 N 4.33 5.19 0.59 1.52 1.01 -1.23 -0.42 121.20 132.19 2k9f s ILE 32 Ca 0.57 0.70 -0.19 0.00 0.00 0.00 0.00 60.65 61.74 2k9f s ILE 32 Cb -0.18 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2k9f s ILE 32 CO 0.22 0.49 1.20 0.00 0.00 0.00 0.00 174.94 176.85 2k9f s ALA 33 N -0.40 2.54 -1.25 9.38 0.00 -0.05 -4.47 121.76 127.53 2k9f s ALA 33 Ca 0.21 0.97 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 2k9f s ALA 33 Cb -0.15 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 2k9f s ALA 33 CO 0.09 -1.15 1.83 -3.47 0.00 0.00 0.00 175.76 173.07 2k9f n ASP 34 N -1.62 4.10 0.00 0.00 2.03 -0.50 -2.64 116.55 117.93 2k9f n ASP 34 Ca 0.13 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.62 2k9f n ASP 34 Cb 0.50 -1.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 2k9f n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9f n GLY 35 N 5.53 0.12 3.83 0.27 0.00 -1.26 0.20 105.19 113.87 2k9f n GLY 35 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 2k9f n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k9f s TYR 36 N 0.00 3.29 -0.01 1.61 1.51 -1.08 -0.77 117.35 121.90 2k9f s TYR 36 Ca 0.00 0.11 -0.03 0.00 -1.01 0.00 0.00 57.07 56.14 2k9f s TYR 36 Cb 0.00 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.20 2k9f s TYR 36 CO 0.00 0.54 0.07 1.52 -1.11 0.00 0.00 175.55 176.56 2k9f s TYR 37 N -1.49 0.06 0.19 2.71 1.13 0.82 -4.48 117.35 116.28 2k9f s TYR 37 Ca 0.31 -0.12 0.10 0.00 -1.41 0.00 0.00 57.07 55.95 2k9f s TYR 37 Cb -0.12 -0.06 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 2k9f s TYR 37 CO 0.24 -0.17 -0.15 -1.64 -2.51 0.00 0.00 175.55 171.33 2k9f s MET 38 N -0.86 1.86 -0.17 -3.49 -1.94 0.28 -0.13 119.30 114.85 2k9f s MET 38 Ca -0.10 -1.38 -0.14 0.00 -1.71 0.00 0.00 55.69 52.37 2k9f s MET 38 Cb -0.06 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.70 2k9f s MET 38 CO 0.00 0.42 0.28 0.71 -0.01 0.00 0.00 175.02 176.42 2k9f s TYR 39 N -1.74 3.45 0.53 -0.03 1.51 -1.12 -0.75 117.35 119.20 2k9f s TYR 39 Ca 0.24 0.57 0.20 0.00 -1.01 0.00 0.00 57.07 57.06 2k9f s TYR 39 Cb -0.08 -2.33 1.39 0.00 -0.11 0.00 0.00 41.96 40.83 2k9f s TYR 39 CO 0.13 0.23 2.16 0.37 -1.11 0.00 0.00 175.55 177.33 2k9f h GLN 40 N 6.72 0.00 -0.29 -0.62 4.15 -0.83 0.66 115.11 124.90 2k9f h GLN 40 Ca -0.41 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.01 2k9f h GLN 40 Cb 1.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2k9f h GLN 40 CO 0.76 0.03 0.00 0.00 -1.93 0.00 0.00 178.83 177.68 2k9f n ALA 41 N -2.47 2.46 -0.09 3.38 0.00 -1.26 -3.58 120.51 118.94 2k9f n ALA 41 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2k9f n ALA 41 Cb 0.11 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2k9f n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k9f n LYS 42 N 0.36 3.12 -2.83 0.00 4.76 0.15 -5.02 118.16 118.70 2k9f n LYS 42 Ca 0.10 -0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 2k9f n LYS 42 Cb 0.25 -0.42 -0.04 0.00 -1.84 0.00 0.00 35.03 32.99 2k9f n LYS 42 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2k9f s ILE 43 N -0.47 4.79 -0.20 -0.18 1.01 -0.76 -4.02 121.20 121.36 2k9f s ILE 43 Ca 0.00 1.66 -0.07 0.00 0.00 0.00 0.00 60.65 62.24 2k9f s ILE 43 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2k9f s ILE 43 CO 0.00 -0.12 0.05 -0.69 0.00 0.00 0.00 174.94 174.18 2k9f s VAL 44 N 2.96 4.51 -0.22 2.92 1.01 0.06 -5.00 120.40 126.64 2k9f s VAL 44 Ca 0.37 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 2k9f s VAL 44 Cb -0.15 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.24 2k9f s VAL 44 CO 0.08 0.42 0.54 -0.83 0.00 0.00 0.00 175.10 175.30 2k9f s GLY 45 N 0.84 -0.45 -0.04 4.51 0.00 -1.26 0.06 107.32 110.98 2k9f s GLY 45 Ca 0.03 1.84 -0.29 0.00 0.00 0.00 0.00 44.72 46.30 2k9f s GLY 45 CO 0.02 1.85 0.65 -1.59 0.00 0.00 0.00 173.10 174.03 2k9f s LYS 46 N 1.22 1.04 -0.21 2.90 -2.85 -0.39 -4.85 119.74 116.60 2k9f s LYS 46 Ca -0.07 0.19 -0.09 0.00 -1.00 0.00 0.00 55.97 54.99 2k9f s LYS 46 Cb -0.06 0.49 0.08 0.00 -2.06 0.00 0.00 37.83 36.28 2k9f s LYS 46 CO -0.12 -0.33 0.47 -0.08 0.10 0.00 0.00 175.35 175.39 2k9f s THR 47 N -1.32 -0.35 -0.25 3.79 -1.32 -1.25 -0.63 115.64 114.31 2k9f s THR 47 Ca -0.11 0.10 -0.37 0.00 -1.21 0.00 0.00 61.69 60.10 2k9f s THR 47 Cb -0.00 -0.72 0.15 0.00 -1.51 0.00 0.00 72.50 70.42 2k9f s THR 47 CO 0.08 0.04 1.35 0.54 -2.21 0.00 0.00 174.62 174.42 2k9f s ASN 48 N 2.03 -0.04 -0.06 8.08 2.20 -1.10 -4.74 114.94 121.32 2k9f s ASN 48 Ca -0.06 -0.00 -0.17 0.00 -0.94 0.00 0.00 52.86 51.69 2k9f s ASN 48 Cb -0.10 0.04 -0.12 0.00 -2.00 0.00 0.00 41.25 39.08 2k9f s ASN 48 CO -0.14 -0.07 0.66 1.55 -2.94 0.00 0.00 177.10 176.15 2k9f h PRO 49 N 2.00 -0.25 -1.56 3.55 0.13 -1.86 -2.94 132.00 131.07 2k9f h PRO 49 Ca -0.06 0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.61 2k9f h PRO 49 Cb 1.14 0.06 -0.33 0.00 0.13 0.00 0.00 31.00 31.99 2k9f h PRO 49 CO 0.20 0.08 -0.97 0.00 -0.23 0.00 0.00 178.00 177.08 2k9f n ALA 50 N -2.65 1.58 -0.98 -0.56 0.00 -1.26 -4.87 120.51 111.77 2k9f n ALA 50 Ca -0.06 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.42 2k9f n ALA 50 Cb 0.22 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2k9f n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k9f n ASP 51 N 1.45 -4.28 -3.32 0.00 2.03 -1.26 -4.90 116.55 106.28 2k9f n ASP 51 Ca 0.18 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.11 2k9f n ASP 51 Cb 0.55 -2.07 -0.03 0.00 -0.72 0.00 0.00 41.12 38.86 2k9f n ASP 51 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k9f n LEU 52 N 0.00 8.67 -4.17 -2.67 7.99 -1.26 -4.86 117.00 120.70 2k9f n LEU 52 Ca 0.00 -4.42 -0.26 0.00 -0.01 0.00 0.00 56.01 51.32 2k9f n LEU 52 Cb 0.25 -1.53 -0.16 0.00 -0.11 0.00 0.00 43.42 41.87 2k9f n LEU 52 CO 0.00 2.07 -0.51 -0.22 -1.51 0.00 0.00 177.39 177.23 2k9f s LEU 53 N -0.11 2.00 0.00 2.23 2.96 -1.26 -1.02 118.68 123.48 2k9f s LEU 53 Ca 0.68 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2k9f s LEU 53 Cb 0.18 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.92 2k9f s LEU 53 CO -0.06 0.20 0.19 0.61 -1.32 0.00 0.00 176.35 175.97 2k9f n GLY 54 N 2.78 -0.00 3.59 7.98 0.00 -0.06 -4.64 105.19 114.84 2k9f n GLY 54 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2k9f n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k9f s GLN 55 N -0.40 0.68 -0.35 1.61 -2.07 -1.26 -5.04 119.66 112.83 2k9f s GLN 55 Ca 0.00 0.43 -0.28 0.00 -1.82 0.00 0.00 55.36 53.69 2k9f s GLN 55 Cb 0.00 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.22 2k9f s GLN 55 CO 0.00 -0.16 1.97 -2.14 -1.32 0.00 0.00 175.29 173.64 2k9f s PRO 56 N -0.49 3.08 -0.91 9.60 0.02 -1.26 -4.36 135.00 140.68 2k9f s PRO 56 Ca -0.02 1.49 -0.22 0.00 0.02 0.00 0.00 61.00 62.27 2k9f s PRO 56 Cb -0.02 -4.30 0.07 0.00 0.02 0.00 0.00 34.50 30.27 2k9f s PRO 56 CO 0.01 -2.16 1.28 -1.12 -0.33 0.00 0.00 177.00 174.67 2k9f s SER 57 N 7.49 6.45 0.37 2.53 0.01 -0.14 -4.95 113.70 125.45 2k9f s SER 57 Ca 0.85 -1.42 -0.25 0.00 1.31 0.00 0.00 55.95 56.45 2k9f s SER 57 Cb -0.24 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.40 2k9f s SER 57 CO 0.32 -1.43 1.01 -0.36 0.41 0.00 0.00 173.24 173.19 2k9f s PHE 58 N 4.34 3.43 -0.45 2.43 0.08 -1.26 -1.15 117.98 125.40 2k9f s PHE 58 Ca 0.38 1.69 0.26 0.00 0.12 0.00 0.00 56.93 59.38 2k9f s PHE 58 Cb -0.05 -3.04 0.69 0.00 -0.57 0.00 0.00 43.02 40.06 2k9f s PHE 58 CO -0.04 -0.29 1.73 0.77 -0.10 0.00 0.00 175.22 177.29 2k9f h SER 59 N 2.73 0.00 -4.03 1.36 0.02 -1.87 -3.48 113.55 108.28 2k9f h SER 59 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2k9f h SER 59 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k9f h SER 59 CO 0.63 0.00 -0.27 1.17 -1.14 0.00 0.00 176.83 177.22 2k9f n LYS 60 N -2.78 -1.40 0.00 3.45 0.00 -1.26 -5.10 118.16 111.07 2k9f n LYS 60 Ca 0.04 1.04 0.00 0.00 0.00 0.00 0.00 58.31 59.38 2k9f n LYS 60 Cb 0.44 -1.16 0.00 0.00 0.00 0.00 0.00 35.03 34.31 2k9f n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k9f n GLY 61 N -0.80 2.10 3.23 3.14 0.00 -1.26 -5.09 105.19 106.52 2k9f n GLY 61 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2k9f n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k9f s GLU 62 N 3.18 0.99 -0.16 1.61 -1.05 -1.18 -4.94 118.70 117.15 2k9f s GLU 62 Ca 0.00 -1.23 -0.22 0.00 -0.15 0.00 0.00 54.97 53.37 2k9f s GLU 62 Cb 0.00 -0.82 -0.03 0.00 -0.44 0.00 0.00 34.13 32.84 2k9f s GLU 62 CO 0.00 0.15 0.67 -1.21 0.95 0.00 0.00 175.26 175.82 2k9f s GLU 63 N -2.74 4.29 -0.17 -4.83 8.01 -1.26 0.11 118.70 122.11 2k9f s GLU 63 Ca 0.09 0.73 -0.08 0.00 0.01 0.00 0.00 54.97 55.72 2k9f s GLU 63 Cb -0.04 -3.53 -0.04 0.00 -4.31 0.00 0.00 34.13 26.20 2k9f s GLU 63 CO 0.02 -0.15 0.08 0.21 0.01 0.00 0.00 175.26 175.43 2k9f s LYS 64 N 1.59 3.89 0.43 1.61 2.20 0.27 -4.90 119.74 124.82 2k9f s LYS 64 Ca 0.32 -0.30 -0.23 0.00 -0.36 0.00 0.00 55.97 55.41 2k9f s LYS 64 Cb -0.16 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.85 2k9f s LYS 64 CO 0.12 0.37 1.08 -2.00 -0.36 0.00 0.00 175.35 174.56 2k9f s GLU 65 N 0.10 4.00 0.27 4.03 2.56 -1.26 -2.41 118.70 126.00 2k9f s GLU 65 Ca 0.06 1.55 -0.03 0.00 0.00 0.00 0.00 54.97 56.56 2k9f s GLU 65 Cb -0.12 -2.44 -0.02 0.00 2.00 0.00 0.00 34.13 33.56 2k9f s GLU 65 CO 0.00 -0.29 0.34 0.34 -0.56 0.00 0.00 175.26 175.09 2k9f s ASP 66 N -1.58 0.53 -0.11 -1.70 2.15 0.20 -4.89 116.67 111.29 2k9f s ASP 66 Ca 0.61 -1.36 0.10 0.00 0.43 0.00 0.00 52.55 52.33 2k9f s ASP 66 Cb -0.23 0.54 -0.14 0.00 -0.30 0.00 0.00 42.92 42.79 2k9f s ASP 66 CO 0.28 -1.08 0.05 -1.84 -0.17 0.00 0.00 175.17 172.42 2k9f n GLU 67 N -0.43 2.05 -0.07 4.34 0.28 -1.26 -3.95 120.64 121.59 2k9f n GLU 67 Ca 0.02 -0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 2k9f n GLU 67 Cb 0.63 -1.29 -0.08 0.00 1.43 0.00 0.00 31.44 32.13 2k9f n GLU 67 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2k9f n PHE 68 N -2.39 0.00 1.11 -1.84 3.72 -1.26 -4.52 117.46 112.28 2k9f n PHE 68 Ca -0.17 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.35 2k9f n PHE 68 Cb 0.83 -0.59 0.20 0.00 -0.94 0.00 0.00 39.48 38.98 2k9f n PHE 68 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2k9f n PHE 69 N -2.71 0.00 0.00 1.38 3.01 -1.26 -5.00 117.46 112.89 2k9f n PHE 69 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2k9f n PHE 69 Cb 0.84 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 2k9f n PHE 69 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2k9f n GLY 70 N 1.40 2.31 3.34 1.37 0.00 -1.25 -4.60 105.19 107.76 2k9f n GLY 70 Ca 0.10 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2k9f n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k9f s ARG 71 N 0.00 0.10 0.10 1.61 1.70 -1.26 0.62 118.95 121.82 2k9f s ARG 71 Ca 0.00 0.23 -0.04 0.00 -0.47 0.00 0.00 55.73 55.45 2k9f s ARG 71 Cb 0.00 0.11 -0.02 0.00 -0.57 0.00 0.00 34.95 34.47 2k9f s ARG 71 CO 0.00 -0.03 0.10 -0.65 -1.08 0.00 0.00 175.30 173.64 2k9f s GLN 72 N 1.88 0.85 0.00 3.89 -0.21 -1.01 -4.90 119.66 120.15 2k9f s GLN 72 Ca -0.02 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 53.86 2k9f s GLN 72 Cb -0.02 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.22 2k9f s GLN 72 CO -0.15 -0.24 1.39 0.99 -2.12 0.00 0.00 175.29 175.16 2k9f s THR 73 N -3.95 3.71 0.17 -0.19 2.01 -1.26 -0.57 115.64 115.57 2k9f s THR 73 Ca 0.13 1.10 0.08 0.00 0.31 0.00 0.00 61.69 63.31 2k9f s THR 73 Cb 0.06 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2k9f s THR 73 CO -0.06 0.00 -0.17 0.68 -0.69 0.00 0.00 174.62 174.39 2k9f s VAL 74 N 2.33 1.74 -0.09 3.82 -7.23 0.12 -0.06 120.40 121.01 2k9f s VAL 74 Ca 0.64 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 2k9f s VAL 74 Cb -0.31 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2k9f s VAL 74 CO 0.27 -0.39 -0.20 -0.31 -0.31 0.00 0.00 175.10 174.15 2k9f s TYR 75 N -2.27 2.62 0.00 2.82 2.02 0.07 -3.13 117.35 119.48 2k9f s TYR 75 Ca 0.16 -0.76 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 2k9f s TYR 75 Cb -0.04 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2k9f s TYR 75 CO 0.06 -0.25 0.78 -2.39 -1.57 0.00 0.00 175.55 172.19 2k9f n HIS 76 N 3.27 0.00 0.00 2.71 1.44 -1.26 -0.56 115.22 120.82 2k9f n HIS 76 Ca -0.18 -0.30 0.00 0.00 -2.01 0.00 0.00 57.72 55.23 2k9f n HIS 76 Cb 0.53 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.61 2k9f n HIS 76 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k9f n HIS 77 N -0.30 -0.07 -2.82 -1.40 -0.00 -1.26 -4.40 115.22 104.98 2k9f n HIS 77 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 2k9f n HIS 77 Cb 0.19 0.01 -0.05 0.00 -0.00 0.00 0.00 29.99 30.14 2k9f n HIS 77 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2k9f s GLU 78 N -1.14 4.68 -0.30 1.57 1.03 -1.26 -3.48 118.70 119.80 2k9f s GLU 78 Ca 0.00 1.35 -0.09 0.00 0.03 0.00 0.00 54.97 56.26 2k9f s GLU 78 Cb 0.00 -3.34 0.16 0.00 -0.80 0.00 0.00 34.13 30.16 2k9f s GLU 78 CO 0.00 0.35 0.77 0.00 -1.33 0.00 0.00 175.26 175.05 2k9f s ALA 79 N -0.45 -2.44 -0.26 -0.84 0.00 -1.26 -4.73 121.76 111.78 2k9f s ALA 79 Ca 0.42 2.03 -0.10 0.00 0.00 0.00 0.00 51.96 54.31 2k9f s ALA 79 Cb -0.23 -2.04 0.11 0.00 0.00 0.00 0.00 23.12 20.95 2k9f s ALA 79 CO 0.29 -1.11 0.58 -1.14 0.00 0.00 0.00 175.76 174.37 2k9f s GLN 80 N 2.79 0.52 -0.07 0.00 0.74 -1.26 -3.64 119.66 118.74 2k9f s GLN 80 Ca 0.03 1.26 0.02 0.00 0.05 0.00 0.00 55.36 56.71 2k9f s GLN 80 Cb -0.11 0.54 0.02 0.00 1.10 0.00 0.00 33.01 34.55 2k9f s GLN 80 CO -0.18 -0.20 -0.11 0.08 -0.55 0.00 0.00 175.29 174.33 2k9f s VAL 81 N 2.49 1.06 -0.13 1.34 1.01 -0.75 -2.40 120.40 123.02 2k9f s VAL 81 Ca -0.06 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 2k9f s VAL 81 Cb -0.10 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2k9f s VAL 81 CO -0.17 0.34 0.08 0.00 0.00 0.00 0.00 175.10 175.35 2k9f s ALA 82 N 0.82 3.60 -0.31 5.51 0.00 -0.30 -1.25 121.76 129.83 2k9f s ALA 82 Ca -0.12 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 2k9f s ALA 82 Cb -0.15 -1.82 0.07 0.00 0.00 0.00 0.00 23.12 21.21 2k9f s ALA 82 CO 0.02 0.50 0.00 -0.06 0.00 0.00 0.00 175.76 176.23 2k9f s PHE 83 N -0.65 3.36 -0.15 0.00 0.08 0.09 -0.97 117.98 119.75 2k9f s PHE 83 Ca 0.12 -2.18 -0.19 0.00 0.12 0.00 0.00 56.93 54.80 2k9f s PHE 83 Cb -0.12 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 2k9f s PHE 83 CO 0.02 -0.86 0.53 -1.25 -0.10 0.00 0.00 175.22 173.56 2k9f s PRO 84 N 1.16 4.29 0.45 0.24 0.04 -1.26 -3.07 135.00 136.84 2k9f s PRO 84 Ca -0.03 0.50 -0.22 0.00 0.04 0.00 0.00 61.00 61.29 2k9f s PRO 84 Cb -0.20 -3.49 -0.08 0.00 0.04 0.00 0.00 34.50 30.76 2k9f s PRO 84 CO -0.03 0.01 1.06 0.71 0.04 0.00 0.00 177.00 178.78 2k9f s TYR 85 N 1.10 3.08 -1.60 0.56 2.02 -1.26 -0.88 117.35 120.37 2k9f s TYR 85 Ca 0.27 1.60 0.27 0.00 -0.37 0.00 0.00 57.07 58.83 2k9f s TYR 85 Cb -0.16 -3.12 0.80 0.00 -0.40 0.00 0.00 41.96 39.08 2k9f s TYR 85 CO 0.11 -0.83 1.60 0.00 -1.57 0.00 0.00 175.55 174.86 2k9f n ALA 86 N -0.57 3.09 -3.45 3.71 0.00 -0.19 -4.57 120.51 118.52 2k9f n ALA 86 Ca 0.07 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 2k9f n ALA 86 Cb 0.51 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 2k9f n ALA 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2k9f s LYS 87 N -2.59 0.71 -0.72 0.00 2.47 -1.26 -4.97 119.74 113.39 2k9f s LYS 87 Ca 0.23 0.62 -0.22 0.00 -1.56 0.00 0.00 55.97 55.04 2k9f s LYS 87 Cb 0.19 0.34 0.08 0.00 -1.46 0.00 0.00 37.83 36.99 2k9f s LYS 87 CO 0.54 -0.12 1.00 0.00 0.16 0.00 0.00 175.35 176.93 2k9f s ALA 88 N -0.06 3.17 0.13 3.13 0.00 -1.26 -5.00 121.76 121.86 2k9f s ALA 88 Ca -0.03 -2.05 0.07 0.00 0.00 0.00 0.00 51.96 49.94 2k9f s ALA 88 Cb -0.04 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 2k9f s ALA 88 CO 0.02 -2.82 -0.15 0.14 0.00 0.00 0.00 175.76 172.95 2k9f s VAL 89 N 3.76 1.46 -2.20 0.00 -7.23 -1.26 -5.03 120.40 109.89 2k9f s VAL 89 Ca 0.24 -1.76 0.19 0.00 -1.81 0.00 0.00 61.98 58.85 2k9f s VAL 89 Cb -0.14 -1.61 0.45 0.00 0.56 0.00 0.00 36.38 35.64 2k9f s VAL 89 CO 0.06 -0.38 1.43 0.61 -0.31 0.00 0.00 175.10 176.51 2k9f n GLY 90 N 0.49 1.19 3.77 2.32 0.00 -1.26 -4.94 105.19 106.77 2k9f n GLY 90 Ca -0.15 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 2k9f n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k9f s GLU 91 N -1.49 3.97 -0.39 1.61 0.41 -1.26 -4.93 118.70 116.63 2k9f s GLU 91 Ca 0.35 1.82 -0.28 0.00 -0.41 0.00 0.00 54.97 56.46 2k9f s GLU 91 Cb 0.19 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 29.91 2k9f s GLU 91 CO 0.26 -0.38 1.91 -1.25 -0.49 0.00 0.00 175.26 175.31 2k9f s PRO 92 N -2.41 3.07 0.12 0.39 0.04 -1.26 -4.84 135.00 130.10 2k9f s PRO 92 Ca 0.59 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 2k9f s PRO 92 Cb -0.30 -4.29 -0.06 0.00 0.04 0.00 0.00 34.50 29.89 2k9f s PRO 92 CO 0.38 -2.18 0.95 0.71 0.04 0.00 0.00 177.00 176.89 2k9f s TYR 93 N 7.92 3.83 0.11 0.56 1.51 -1.26 -4.64 117.35 125.38 2k9f s TYR 93 Ca 0.81 1.79 -0.19 0.00 -1.01 0.00 0.00 57.07 58.47 2k9f s TYR 93 Cb -0.21 -3.03 -0.07 0.00 -0.11 0.00 0.00 41.96 38.54 2k9f s TYR 93 CO 0.31 0.24 0.60 0.21 -1.11 0.00 0.00 175.55 175.79 2k9f s LYS 94 N -0.13 4.19 -0.30 -0.62 2.20 -1.11 -4.10 119.74 119.87 2k9f s LYS 94 Ca 0.46 0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 56.73 2k9f s LYS 94 Cb -0.23 -3.13 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2k9f s LYS 94 CO 0.30 0.57 0.07 -1.17 -0.36 0.00 0.00 175.35 174.76 2k9f s LEU 95 N -1.39 3.86 -0.20 5.43 2.96 -0.78 -2.69 118.68 125.86 2k9f s LEU 95 Ca 0.33 -0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 2k9f s LEU 95 Cb -0.18 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 2k9f s LEU 95 CO 0.20 -0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.27 2k9f s VAL 96 N 1.48 3.29 0.05 1.68 1.01 0.20 0.04 120.40 128.15 2k9f s VAL 96 Ca 0.02 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2k9f s VAL 96 Cb -0.17 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2k9f s VAL 96 CO 0.02 0.45 -0.17 -0.76 0.00 0.00 0.00 175.10 174.64 2k9f s LEU 97 N 1.24 2.18 -0.14 3.92 1.43 -0.64 -1.26 118.68 125.41 2k9f s LEU 97 Ca 0.03 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 2k9f s LEU 97 Cb -0.14 -0.76 0.06 0.00 0.03 0.00 0.00 46.19 45.38 2k9f s LEU 97 CO -0.02 0.08 0.29 -0.89 0.23 0.00 0.00 176.35 176.04 2k9f s THR 98 N -0.86 -0.34 -0.13 5.49 2.01 0.11 -0.40 115.64 121.52 2k9f s THR 98 Ca 0.04 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 2k9f s THR 98 Cb -0.08 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 2k9f s THR 98 CO 0.02 0.09 0.00 -0.31 -0.69 0.00 0.00 174.62 173.73 2k9f s TYR 99 N 2.12 3.13 -0.04 4.92 2.02 -0.19 -0.76 117.35 128.55 2k9f s TYR 99 Ca -0.02 0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 2k9f s TYR 99 Cb -0.11 -1.90 0.03 0.00 -0.40 0.00 0.00 41.96 39.58 2k9f s TYR 99 CO -0.09 0.24 0.06 -1.14 -1.57 0.00 0.00 175.55 173.05 2k9f s GLN 100 N -0.24 -0.03 0.00 -0.62 2.00 -1.26 -1.72 119.66 117.79 2k9f s GLN 100 Ca 0.06 0.30 0.00 0.00 -2.00 0.00 0.00 55.36 53.71 2k9f s GLN 100 Cb -0.12 -0.33 0.00 0.00 0.80 0.00 0.00 33.01 33.36 2k9f s GLN 100 CO 0.02 -0.23 0.00 0.41 -0.50 0.00 0.00 175.29 174.99 2k9f n GLY 101 N 4.64 2.51 3.54 2.59 0.00 -1.26 -2.78 105.19 114.43 2k9f n GLY 101 Ca -0.18 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2k9f n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k9f s SER 102 N 2.00 0.46 0.04 1.61 0.01 0.81 -4.03 113.70 114.61 2k9f s SER 102 Ca 0.00 -1.27 0.06 0.00 1.31 0.00 0.00 55.95 56.05 2k9f s SER 102 Cb 0.00 0.65 -0.03 0.00 0.21 0.00 0.00 66.02 66.84 2k9f s SER 102 CO 0.00 -1.27 -0.13 0.00 0.41 0.00 0.00 173.24 172.25 2k9f s ALA 103 N -3.34 2.79 -1.76 1.44 0.00 0.11 -0.13 121.76 120.88 2k9f s ALA 103 Ca 0.27 -1.15 0.16 0.00 0.00 0.00 0.00 51.96 51.23 2k9f s ALA 103 Cb -0.01 -0.89 0.87 0.00 0.00 0.00 0.00 23.12 23.09 2k9f s ALA 103 CO 0.15 0.60 1.38 0.39 0.00 0.00 0.00 175.76 178.28 2k9f n GLU 104 N 1.40 0.38 -0.01 0.00 -0.58 0.05 -1.82 120.64 120.06 2k9f n GLU 104 Ca -0.15 0.06 0.12 0.00 -0.42 0.00 0.00 57.16 56.77 2k9f n GLU 104 Cb 0.52 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 30.08 2k9f n GLU 104 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k9f n ALA 105 N -1.12 2.48 0.00 0.62 0.00 -1.26 -4.93 120.51 116.30 2k9f n ALA 105 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2k9f n ALA 105 Cb 0.08 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2k9f n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k9f n GLY 106 N 1.32 2.93 3.76 0.00 0.00 -0.75 -5.07 105.19 107.37 2k9f n GLY 106 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2k9f n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k9f s VAL 107 N -2.60 2.46 -0.24 1.61 1.01 -1.25 -4.83 120.40 116.57 2k9f s VAL 107 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 2k9f s VAL 107 Cb 0.00 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.26 2k9f s VAL 107 CO 0.00 0.02 0.06 0.00 0.00 0.00 0.00 175.10 175.17 2k9f s TYR 109 N 1.80 3.54 0.80 0.00 1.13 -1.26 -5.02 117.35 118.34 2k9f s TYR 109 Ca 0.03 1.15 -0.11 0.00 -1.41 0.00 0.00 57.07 56.73 2k9f s TYR 109 Cb -0.17 -2.45 0.07 0.00 -1.10 0.00 0.00 41.96 38.30 2k9f s TYR 109 CO -0.15 0.31 1.09 -1.25 -2.51 0.00 0.00 175.55 173.03 2k9f s PRO 110 N -2.31 2.09 -0.81 -3.49 0.04 -1.26 -4.35 135.00 124.92 2k9f s PRO 110 Ca 0.44 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 2k9f s PRO 110 Cb -0.14 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2k9f s PRO 110 CO 0.20 -1.66 1.74 -1.25 0.04 0.00 0.00 177.00 176.06 2k9f s PRO 111 N -5.05 2.85 0.12 0.56 0.04 -1.25 -4.78 135.00 127.49 2k9f s PRO 111 Ca 0.61 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.21 2k9f s PRO 111 Cb -0.15 -4.77 -0.06 0.00 0.04 0.00 0.00 34.50 29.56 2k9f s PRO 111 CO 0.55 -2.79 1.08 0.08 0.04 0.00 0.00 177.00 175.96 2k9f s VAL 112 N 8.25 4.13 0.07 -0.36 1.01 -0.70 -4.78 120.40 128.02 2k9f s VAL 112 Ca 0.60 1.71 0.03 0.00 0.00 0.00 0.00 61.98 64.33 2k9f s VAL 112 Cb -0.08 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2k9f s VAL 112 CO 0.07 0.24 0.04 1.51 0.00 0.00 0.00 175.10 176.96 2k9f s ASP 113 N 0.28 5.31 -0.19 3.32 -4.77 -1.26 -1.02 116.67 118.35 2k9f s ASP 113 Ca 0.51 -0.06 -0.06 0.00 -3.30 0.00 0.00 52.55 49.64 2k9f s ASP 113 Cb -0.27 -1.37 0.09 0.00 -1.09 0.00 0.00 42.92 40.27 2k9f s ASP 113 CO 0.32 0.19 0.40 -0.89 0.70 0.00 0.00 175.17 175.89 2k9f s THR 114 N -1.32 -0.62 -0.18 2.11 2.01 0.46 -4.98 115.64 113.13 2k9f s THR 114 Ca 0.27 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 2k9f s THR 114 Cb -0.12 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 2k9f s THR 114 CO 0.19 0.07 0.16 -1.61 -0.69 0.00 0.00 174.62 172.73 2k9f s GLU 115 N 2.58 4.04 -0.04 4.92 2.02 -1.26 -1.63 118.70 129.34 2k9f s GLU 115 Ca -0.01 -0.16 0.05 0.00 0.02 0.00 0.00 54.97 54.88 2k9f s GLU 115 Cb -0.12 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.71 2k9f s GLU 115 CO -0.12 0.39 -0.18 -0.06 0.02 0.00 0.00 175.26 175.31 2k9f s PHE 116 N 0.07 2.58 -0.24 1.61 0.08 0.11 -5.02 117.98 117.18 2k9f s PHE 116 Ca 0.11 -0.26 -0.10 0.00 0.12 0.00 0.00 56.93 56.80 2k9f s PHE 116 Cb -0.12 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 2k9f s PHE 116 CO 0.00 0.11 0.14 0.34 -0.10 0.00 0.00 175.22 175.71 2k9f s ASP 117 N -0.67 5.92 -1.18 1.36 -1.08 -1.26 -1.86 116.67 117.89 2k9f s ASP 117 Ca 0.11 0.06 -0.06 0.00 -0.52 0.00 0.00 52.55 52.14 2k9f s ASP 117 Cb -0.11 -2.06 0.23 0.00 -1.46 0.00 0.00 42.92 39.52 2k9f s ASP 117 CO 0.00 0.06 1.82 -0.38 0.52 0.00 0.00 175.17 177.19 2k9f n ILE 118 N 4.31 5.10 0.20 4.11 2.08 -1.26 -4.70 119.36 129.21 2k9f n ILE 118 Ca -0.15 -5.16 0.08 0.00 0.56 0.00 0.00 62.75 58.08 2k9f n ILE 118 Cb 0.52 -2.10 0.36 0.00 -0.75 0.00 0.00 39.64 37.67 2k9f n ILE 118 CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 2k9f h PHE 119 N 5.22 0.00 0.00 1.39 -5.15 -1.95 -3.44 116.94 113.02 2k9f h PHE 119 Ca 0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.17 2k9f h PHE 119 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.69 2k9f h PHE 119 CO 1.24 0.29 0.00 0.41 -2.00 0.00 0.00 178.31 178.25 2k9f n GLY 120 N 0.36 0.61 0.00 6.09 0.00 -1.26 -5.07 105.19 105.92 2k9f n GLY 120 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2k9f n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k9f n ASN 121 N 0.00 0.00 0.00 1.61 5.15 -1.26 -5.06 115.26 115.70 2k9f n ASN 121 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2k9f n ASN 121 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k9f n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k9f n GLY 122 N 0.01 1.92 3.66 8.20 0.00 -1.26 -4.86 105.19 112.85 2k9f n GLY 122 Ca 0.00 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2k9f n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k9f s THR 123 N 0.00 5.02 0.11 2.61 2.01 -1.26 -3.85 115.64 120.28 2k9f s THR 123 Ca 0.00 1.20 0.04 0.00 0.31 0.00 0.00 61.69 63.25 2k9f s THR 123 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2k9f s THR 123 CO 0.00 0.11 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.62 2k9f s TYR 124 N 1.88 1.17 -0.03 4.92 2.02 -1.26 -5.05 117.35 121.00 2k9f s TYR 124 Ca 0.29 -0.66 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 2k9f s TYR 124 Cb -0.16 -0.62 0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2k9f s TYR 124 CO 0.11 0.04 0.41 -1.58 -1.57 0.00 0.00 175.55 172.96 2k9f s HIS 125 N -2.56 -0.32 -0.01 2.71 2.46 -1.26 -3.56 115.29 112.75 2k9f s HIS 125 Ca 0.08 0.54 -0.30 0.00 0.47 0.00 0.00 55.06 55.86 2k9f s HIS 125 Cb -0.02 0.18 -0.07 0.00 -0.13 0.00 0.00 32.58 32.53 2k9f s HIS 125 CO 0.01 -0.43 1.78 -1.25 -2.47 0.00 0.00 174.74 172.37 2k9f s PRO 126 N -1.17 4.17 -1.36 2.88 0.04 -1.26 -4.90 135.00 133.38 2k9f s PRO 126 Ca -0.12 2.37 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 2k9f s PRO 126 Cb -0.04 -4.01 0.07 0.00 0.04 0.00 0.00 34.50 30.56 2k9f s PRO 126 CO 0.05 -0.88 1.94 1.04 0.04 0.00 0.00 177.00 179.20 2k9f n GLN 127 N 7.13 3.08 0.00 4.56 6.02 -1.26 -5.15 117.38 131.75 2k9f n GLN 127 Ca 0.18 -3.03 0.00 0.00 -0.01 0.00 0.00 57.00 54.14 2k9f n GLN 127 Cb 0.42 -3.36 0.00 0.00 1.02 0.00 0.00 30.24 28.32 2k9f n GLN 127 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46