#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kht s LYS 15 N 0.00 3.20 -0.02 -1.46 -0.14 -1.26 -4.81 119.74 115.25 3kht s LYS 15 Ca 0.00 1.23 0.03 0.00 -1.36 0.00 0.00 55.97 55.87 3kht s LYS 15 Cb 0.00 -2.01 -0.00 0.00 -1.68 0.00 0.00 37.83 34.13 3kht s LYS 15 CO 0.00 -0.91 -0.10 -0.98 -0.76 0.00 0.00 175.35 172.60 3kht s ARG 16 N -4.13 0.96 0.03 1.68 1.70 -1.26 0.01 118.95 117.94 3kht s ARG 16 Ca 0.64 -0.36 0.06 0.00 -0.47 0.00 0.00 55.73 55.61 3kht s ARG 16 Cb -0.17 -0.91 -0.02 0.00 -0.57 0.00 0.00 34.95 33.28 3kht s ARG 16 CO 0.39 0.17 -0.19 0.08 -1.08 0.00 0.00 175.30 174.67 3kht s VAL 17 N -0.02 1.51 -0.13 4.99 1.01 0.77 -0.78 120.40 127.76 3kht s VAL 17 Ca 0.00 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.94 3kht s VAL 17 Cb -0.07 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.01 3kht s VAL 17 CO 0.00 0.21 -0.23 -0.22 0.00 0.00 0.00 175.10 174.87 3kht s LEU 18 N -1.01 2.10 -0.11 3.92 2.96 -0.62 -0.96 118.68 124.97 3kht s LEU 18 Ca 0.06 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 3kht s LEU 18 Cb -0.08 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.19 3kht s LEU 18 CO 0.01 0.11 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.26 3kht s VAL 19 N 0.65 1.83 -0.52 1.68 1.01 0.49 -0.80 120.40 124.74 3kht s VAL 19 Ca -0.11 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3kht s VAL 19 Cb -0.16 -1.61 0.13 0.00 0.00 0.00 0.00 36.38 34.73 3kht s VAL 19 CO 0.02 0.51 0.45 -0.69 0.00 0.00 0.00 175.10 175.39 3kht s VAL 20 N 0.64 4.87 -0.24 2.92 1.01 0.33 -2.18 120.40 127.75 3kht s VAL 20 Ca -0.13 -1.62 -0.19 0.00 0.00 0.00 0.00 61.98 60.04 3kht s VAL 20 Cb -0.16 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.13 3kht s VAL 20 CO 0.03 -0.84 0.61 -0.70 0.00 0.00 0.00 175.10 174.20 3kht s GLU 21 N 1.48 0.68 0.00 2.72 2.56 -0.90 -1.67 118.70 123.57 3kht s GLU 21 Ca 0.04 0.94 0.05 0.00 0.00 0.00 0.00 54.97 56.00 3kht s GLU 21 Cb -0.28 0.25 -0.03 0.00 2.00 0.00 0.00 34.13 36.07 3kht s GLU 21 CO 0.01 -0.11 0.27 -0.40 -0.56 0.00 0.00 175.26 174.48 3kht n ASP 22 N 3.32 0.42 -4.62 -1.70 5.75 -1.26 -4.33 116.55 114.12 3kht n ASP 22 Ca -0.16 -0.71 -0.43 0.00 -0.01 0.00 0.00 54.79 53.48 3kht n ASP 22 Cb 0.56 0.83 -0.02 0.00 -1.03 0.00 0.00 41.12 41.46 3kht n ASP 22 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3kht s ASN 23 N -1.25 6.48 0.47 -1.12 3.84 -1.26 -4.90 114.94 117.20 3kht s ASN 23 Ca 0.02 1.25 0.31 0.00 0.21 0.00 0.00 52.86 54.66 3kht s ASN 23 Cb 0.04 -2.54 1.35 0.00 -0.55 0.00 0.00 41.25 39.55 3kht s ASN 23 CO 0.16 -1.23 1.93 1.55 -2.79 0.00 0.00 177.10 176.72 3kht h PRO 24 N 10.15 0.00 0.18 0.43 0.13 -1.99 -2.12 132.00 138.78 3kht h PRO 24 Ca -0.29 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.54 3kht h PRO 24 Cb 1.12 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.26 3kht h PRO 24 CO 1.03 0.00 -1.38 -0.44 -0.23 0.00 0.00 178.00 176.99 3kht h ASP 25 N 0.00 0.59 -0.59 1.44 3.32 -1.99 -2.13 116.42 117.06 3kht h ASP 25 Ca 0.00 -0.65 0.09 0.00 0.02 0.00 0.00 57.03 56.49 3kht h ASP 25 Cb 0.40 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 3kht h ASP 25 CO 0.00 1.51 0.22 0.44 -1.72 0.00 0.00 179.24 179.69 3kht h ASP 26 N 0.10 0.22 -0.40 6.45 5.19 -1.93 0.45 116.42 126.50 3kht h ASP 26 Ca -0.20 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 3kht h ASP 26 Cb 2.06 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 41.60 3kht h ASP 26 CO 0.23 0.13 0.17 0.40 -3.12 0.00 0.00 179.24 177.05 3kht h ILE 27 N 0.40 1.19 -0.58 0.35 2.04 -1.39 -0.15 117.51 119.37 3kht h ILE 27 Ca 0.29 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 3kht h ILE 27 Cb 0.35 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3kht h ILE 27 CO -0.29 0.21 -0.06 0.00 0.00 0.00 0.00 178.15 178.01 3kht h ALA 28 N 1.01 0.79 -0.24 1.87 0.00 -0.82 -1.68 119.26 120.19 3kht h ALA 28 Ca 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3kht h ALA 28 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kht h ALA 28 CO -0.01 0.67 0.09 1.25 0.00 0.00 0.00 179.25 181.25 3kht h LEU 29 N 0.95 0.33 -0.35 0.00 5.85 0.34 -2.66 115.31 119.78 3kht h LEU 29 Ca 0.16 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3kht h LEU 29 Cb 0.62 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3kht h LEU 29 CO 0.04 0.42 -0.17 0.40 -0.34 0.00 0.00 178.44 178.79 3kht h ILE 30 N 0.23 0.49 -0.78 4.05 2.04 -0.84 0.13 117.51 122.83 3kht h ILE 30 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3kht h ILE 30 Cb 0.19 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3kht h ILE 30 CO -0.01 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.68 3kht h ARG 31 N -0.11 0.78 -0.19 2.37 3.08 -1.18 -2.63 114.38 116.49 3kht h ARG 31 Ca 0.18 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3kht h ARG 31 Cb 0.38 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kht h ARG 31 CO -0.42 0.51 -0.27 0.00 -1.07 0.00 0.00 179.97 178.72 3kht h ARG 32 N 0.80 0.52 -0.36 0.04 3.08 -1.01 -2.68 114.38 114.78 3kht h ARG 32 Ca 0.34 -0.30 0.08 0.00 0.07 0.00 0.00 59.98 60.16 3kht h ARG 32 Cb 0.30 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.29 3kht h ARG 32 CO -0.12 0.90 -0.30 0.28 -1.07 0.00 0.00 179.97 179.65 3kht h VAL 33 N 0.18 0.26 -0.57 2.04 2.07 -0.63 -2.01 116.25 117.60 3kht h VAL 33 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3kht h VAL 33 Cb 0.84 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3kht h VAL 33 CO 0.06 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.80 3kht h LEU 34 N -0.25 0.23 -0.13 2.57 4.07 -1.49 -0.69 115.31 119.62 3kht h LEU 34 Ca 0.17 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.22 3kht h LEU 34 Cb 0.52 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 3kht h LEU 34 CO -0.50 0.15 -0.41 0.44 -1.08 0.00 0.00 178.44 177.04 3kht h ASP 35 N 0.41 -1.31 -0.65 -0.43 3.32 -1.25 0.25 116.42 116.76 3kht h ASP 35 Ca 0.28 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 3kht h ASP 35 Cb 0.31 0.52 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 3kht h ASP 35 CO -0.27 -0.35 0.33 0.03 -1.72 0.00 0.00 179.24 177.25 3kht h ARG 36 N -0.42 0.95 -0.32 3.56 3.08 -0.78 -0.92 114.38 119.53 3kht h ARG 36 Ca 0.03 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kht h ARG 36 Cb 0.50 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3kht h ARG 36 CO -0.35 0.73 0.00 1.63 -1.07 0.00 0.00 179.97 180.91 3kht n LYS 37 N -4.35 1.87 -3.83 0.04 4.76 -0.32 -4.92 118.16 111.41 3kht n LYS 37 Ca 0.06 -1.35 -0.29 0.00 -2.87 0.00 0.00 58.31 53.87 3kht n LYS 37 Cb 0.13 -1.34 0.04 0.00 -1.84 0.00 0.00 35.03 32.01 3kht n LYS 37 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kht n ASP 38 N 0.58 -5.14 -4.53 4.39 8.00 -0.35 -4.93 116.55 114.57 3kht n ASP 38 Ca 0.14 -0.72 -0.42 0.00 0.71 0.00 0.00 54.79 54.50 3kht n ASP 38 Cb 0.34 -4.09 -0.08 0.00 -0.02 0.00 0.00 41.12 37.27 3kht n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kht s ILE 39 N -3.29 5.04 -0.33 0.53 1.01 0.74 -5.03 121.20 119.88 3kht s ILE 39 Ca 0.65 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 61.24 3kht s ILE 39 Cb -0.32 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.17 3kht s ILE 39 CO 0.80 -0.31 0.14 -1.00 0.00 0.00 0.00 174.94 174.57 3kht s HIS 40 N 2.30 3.20 0.22 3.97 3.76 -1.26 -4.54 115.29 122.94 3kht s HIS 40 Ca 0.16 -0.87 -0.17 0.00 -0.15 0.00 0.00 55.06 54.03 3kht s HIS 40 Cb -0.16 -2.34 0.02 0.00 1.11 0.00 0.00 32.58 31.20 3kht s HIS 40 CO 0.14 -0.57 0.54 0.00 -0.85 0.00 0.00 174.74 174.00 3kht s GLN 42 N -3.92 4.33 -0.12 0.00 -1.52 0.10 -4.95 119.66 113.57 3kht s GLN 42 Ca 0.13 0.50 -0.01 0.00 -1.95 0.00 0.00 55.36 54.03 3kht s GLN 42 Cb -0.02 -3.42 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 3kht s GLN 42 CO 0.02 0.18 -0.07 -1.17 -0.25 0.00 0.00 175.29 174.00 3kht s LEU 43 N 0.54 3.10 -0.07 2.90 2.96 -1.26 -0.16 118.68 126.68 3kht s LEU 43 Ca 0.27 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3kht s LEU 43 Cb -0.16 -1.71 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3kht s LEU 43 CO 0.11 0.23 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.68 3kht s GLU 44 N 0.01 1.33 0.01 1.98 2.02 -0.13 -4.95 118.70 118.97 3kht s GLU 44 Ca -0.01 -0.24 0.02 0.00 0.02 0.00 0.00 54.97 54.76 3kht s GLU 44 Cb -0.14 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 3kht s GLU 44 CO 0.03 -0.11 0.00 -0.06 0.02 0.00 0.00 175.26 175.14 3kht s PHE 45 N 1.13 3.06 0.05 1.61 0.08 -1.26 -0.38 117.98 122.27 3kht s PHE 45 Ca -0.07 0.06 -0.04 0.00 0.12 0.00 0.00 56.93 57.00 3kht s PHE 45 Cb -0.14 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 3kht s PHE 45 CO -0.01 0.46 0.07 0.14 -0.10 0.00 0.00 175.22 175.78 3kht s VAL 46 N -1.12 0.15 -1.98 -0.44 -7.23 -0.93 -4.96 120.40 103.90 3kht s VAL 46 Ca 0.20 -1.25 0.17 0.00 -1.81 0.00 0.00 61.98 59.29 3kht s VAL 46 Cb -0.12 -1.05 0.23 0.00 0.56 0.00 0.00 36.38 36.01 3kht s VAL 46 CO 0.11 -0.69 1.15 -0.90 -0.31 0.00 0.00 175.10 174.46 3kht n ASP 47 N 0.58 2.73 -3.35 4.85 5.68 -1.26 -2.11 116.55 123.67 3kht n ASP 47 Ca -0.18 -1.80 -0.10 0.00 -0.50 0.00 0.00 54.79 52.21 3kht n ASP 47 Cb 0.59 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.46 3kht n ASP 47 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kht s ASN 48 N -1.33 0.23 0.26 -1.12 2.20 -1.26 -4.66 114.94 109.26 3kht s ASN 48 Ca 0.25 -1.14 0.03 0.00 -0.94 0.00 0.00 52.86 51.06 3kht s ASN 48 Cb 0.16 0.73 0.35 0.00 -2.00 0.00 0.00 41.25 40.48 3kht s ASN 48 CO 0.23 -1.42 1.65 1.23 -2.94 0.00 0.00 177.10 175.84 3kht h GLY 49 N 2.08 0.39 0.90 0.45 0.00 -1.46 -1.81 103.07 103.63 3kht h GLY 49 Ca -0.28 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 3kht h GLY 49 CO 0.37 0.35 0.04 0.00 0.00 0.00 0.00 176.54 177.30 3kht h ALA 50 N 1.25 0.43 -0.31 3.60 0.00 -1.85 0.68 119.26 123.06 3kht h ALA 50 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3kht h ALA 50 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kht h ALA 50 CO 0.07 0.13 -0.24 0.87 0.00 0.00 0.00 179.25 180.09 3kht h LYS 51 N 0.36 0.59 0.46 0.00 1.57 -1.94 -2.49 116.57 115.12 3kht h LYS 51 Ca 0.10 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3kht h LYS 51 Cb 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kht h LYS 51 CO 0.01 0.79 -0.22 0.00 -0.57 0.00 0.00 179.45 179.45 3kht h ALA 52 N 1.22 -0.62 -0.06 3.86 0.00 -0.86 -2.09 119.26 120.71 3kht h ALA 52 Ca 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kht h ALA 52 Cb 0.69 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kht h ALA 52 CO 0.05 -0.85 0.04 -0.07 0.00 0.00 0.00 179.25 178.43 3kht h LEU 53 N -0.62 0.00 -0.05 0.00 3.38 -0.73 -0.82 115.31 116.48 3kht h LEU 53 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3kht h LEU 53 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kht h LEU 53 CO 0.10 0.00 -0.23 0.22 0.09 0.00 0.00 178.44 178.62 3kht h TYR 54 N 0.00 0.32 -0.15 1.13 3.20 -1.28 -3.27 116.97 116.92 3kht h TYR 54 Ca 0.03 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.69 3kht h TYR 54 Cb 0.12 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3kht h TYR 54 CO 0.00 0.86 -0.20 1.96 -1.64 0.00 0.00 178.16 179.14 3kht h GLN 55 N -0.31 0.25 0.00 1.82 1.08 -0.60 -2.27 115.11 115.07 3kht h GLN 55 Ca -0.02 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 3kht h GLN 55 Cb 0.89 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.30 3kht h GLN 55 CO 0.05 0.45 -0.05 -0.39 -0.95 0.00 0.00 178.83 177.95 3kht h VAL 56 N 0.23 0.16 0.00 -0.54 -1.51 -1.26 -0.98 116.25 112.35 3kht h VAL 56 Ca 0.04 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3kht h VAL 56 Cb 0.50 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 3kht h VAL 56 CO 0.03 0.04 -0.08 0.00 -1.23 0.00 0.00 177.57 176.34 3kht n GLN 57 N -3.22 0.07 -0.07 5.19 1.13 -0.86 -4.04 117.38 115.59 3kht n GLN 57 Ca -0.01 0.05 -0.05 0.00 -1.94 0.00 0.00 57.00 55.06 3kht n GLN 57 Cb 0.26 -1.58 -0.16 0.00 0.11 0.00 0.00 30.24 28.87 3kht n GLN 57 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3kht n GLN 58 N -1.70 0.68 -3.80 -1.09 1.13 -0.39 -5.00 117.38 107.20 3kht n GLN 58 Ca 0.06 -0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 3kht n GLN 58 Cb 0.36 -1.54 -0.08 0.00 0.11 0.00 0.00 30.24 29.10 3kht n GLN 58 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3kht s ALA 59 N -2.76 -0.48 -0.22 -1.58 0.00 -1.10 -5.12 121.76 110.49 3kht s ALA 59 Ca -0.09 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 3kht s ALA 59 Cb 0.08 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 3kht s ALA 59 CO 0.85 -0.42 0.56 0.21 0.00 0.00 0.00 175.76 176.95 3kht s LYS 60 N -2.88 4.15 0.12 0.00 2.47 -1.26 -4.72 119.74 117.62 3kht s LYS 60 Ca -0.03 0.45 -0.01 0.00 -1.56 0.00 0.00 55.97 54.83 3kht s LYS 60 Cb 0.00 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.73 3kht s LYS 60 CO -0.06 -0.26 0.29 0.71 0.16 0.00 0.00 175.35 176.20 3kht s TYR 61 N 1.99 3.50 -0.66 4.03 2.02 -1.26 -4.79 117.35 122.17 3kht s TYR 61 Ca 0.24 0.30 0.25 0.00 -0.37 0.00 0.00 57.07 57.49 3kht s TYR 61 Cb -0.16 -1.81 0.47 0.00 -0.40 0.00 0.00 41.96 40.06 3kht s TYR 61 CO 0.09 0.50 1.44 -0.25 -1.57 0.00 0.00 175.55 175.77 3kht n ASP 62 N -0.11 0.74 -3.62 2.29 8.00 0.04 -4.82 116.55 119.06 3kht n ASP 62 Ca -0.05 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.60 3kht n ASP 62 Cb 0.52 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.45 3kht n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3kht s LEU 63 N -4.33 -0.43 -0.09 0.64 2.96 -1.23 -4.37 118.68 111.84 3kht s LEU 63 Ca 0.07 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.74 3kht s LEU 63 Cb 0.13 1.87 0.02 0.00 0.50 0.00 0.00 46.19 48.71 3kht s LEU 63 CO 0.69 -0.20 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.80 3kht s ILE 64 N -0.10 1.03 -0.07 6.68 1.01 -0.68 -1.59 121.20 127.47 3kht s ILE 64 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.33 3kht s ILE 64 Cb -0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 3kht s ILE 64 CO -0.04 0.35 -0.08 -0.63 0.00 0.00 0.00 174.94 174.54 3kht s ILE 65 N 1.23 3.60 -0.04 2.92 1.01 0.02 -0.68 121.20 129.26 3kht s ILE 65 Ca -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 3kht s ILE 65 Cb -0.14 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.87 3kht s ILE 65 CO -0.03 0.59 0.11 -1.48 0.00 0.00 0.00 174.94 174.13 3kht s LEU 66 N -0.68 1.58 -0.59 2.97 0.05 -0.14 -0.51 118.68 121.37 3kht s LEU 66 Ca 0.10 0.19 -0.26 0.00 0.05 0.00 0.00 54.13 54.21 3kht s LEU 66 Cb -0.11 0.40 0.04 0.00 -2.05 0.00 0.00 46.19 44.46 3kht s LEU 66 CO 0.02 -0.06 1.06 -0.62 -0.55 0.00 0.00 176.35 176.19 3kht s ASP 67 N -0.06 6.35 0.00 1.48 2.15 -0.67 -1.47 116.67 124.45 3kht s ASP 67 Ca -0.01 -0.25 0.17 0.00 0.43 0.00 0.00 52.55 52.88 3kht s ASP 67 Cb -0.01 -2.49 0.74 0.00 -0.30 0.00 0.00 42.92 40.86 3kht s ASP 67 CO 0.00 -1.39 1.53 0.00 -0.17 0.00 0.00 175.17 175.14 3kht n ILE 68 N 6.36 0.79 0.13 4.11 0.13 -1.26 -2.62 119.36 127.00 3kht n ILE 68 Ca 0.04 0.20 -0.01 0.00 -1.10 0.00 0.00 62.75 61.88 3kht n ILE 68 Cb 0.48 -0.91 0.14 0.00 -0.84 0.00 0.00 39.64 38.51 3kht n ILE 68 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 3kht h GLY 69 N 2.87 0.00 -7.24 4.50 0.00 -1.91 -3.42 103.07 97.87 3kht h GLY 69 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3kht h GLY 69 CO 0.00 0.00 1.38 1.08 0.00 0.00 0.00 176.54 179.00 3kht s LEU 70 N -7.30 3.40 0.18 3.11 1.43 -1.08 -4.88 118.68 113.54 3kht s LEU 70 Ca -0.00 0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 3kht s LEU 70 Cb 0.12 -2.97 0.13 0.00 0.03 0.00 0.00 46.19 43.50 3kht s LEU 70 CO 0.76 -2.17 1.65 -0.65 0.23 0.00 0.00 176.35 176.16 3kht h PRO 71 N 14.87 -0.04 0.00 1.29 0.11 -1.89 0.15 132.00 146.48 3kht h PRO 71 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3kht h PRO 71 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kht h PRO 71 CO 1.12 -0.03 0.27 0.82 -0.21 0.00 0.00 178.00 179.98 3kht h ILE 72 N -0.04 0.00 0.00 4.15 5.03 -1.95 -1.17 117.51 123.52 3kht h ILE 72 Ca 0.22 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.96 3kht h ILE 72 Cb 0.38 0.32 -0.00 0.00 -3.03 0.00 0.00 36.82 34.49 3kht h ILE 72 CO -0.49 0.00 -0.01 0.00 -0.68 0.00 0.00 178.15 176.97 3kht h ALA 73 N 1.28 1.00 -6.45 1.87 0.00 -1.26 -2.61 119.26 113.08 3kht h ALA 73 Ca 0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 3kht h ALA 73 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kht h ALA 73 CO 0.00 0.01 -0.91 0.09 0.00 0.00 0.00 179.25 178.43 3kht n ASN 74 N -3.10 -2.13 0.14 0.00 5.03 -0.44 -3.33 115.26 111.43 3kht n ASN 74 Ca 0.02 -1.04 -0.14 0.00 0.87 0.00 0.00 54.58 54.29 3kht n ASN 74 Cb 0.38 -3.03 -0.06 0.00 -1.02 0.00 0.00 39.78 36.05 3kht n ASN 74 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3kht h GLY 75 N -1.92 -0.68 1.01 7.41 0.00 -1.83 0.11 103.07 107.18 3kht h GLY 75 Ca -0.65 0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.09 3kht h GLY 75 CO 0.57 -0.26 0.63 0.74 0.00 0.00 0.00 176.54 178.22 3kht h PHE 76 N -0.60 1.19 -0.23 5.60 0.04 -1.97 -1.38 116.94 119.60 3kht h PHE 76 Ca 0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3kht h PHE 76 Cb 0.60 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3kht h PHE 76 CO -0.28 0.75 0.15 0.93 -0.60 0.00 0.00 178.31 179.27 3kht h GLU 77 N 1.29 0.31 -0.25 1.51 3.07 -1.79 0.49 114.58 119.20 3kht h GLU 77 Ca 0.35 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 3kht h GLU 77 Cb -0.15 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 3kht h GLU 77 CO -0.07 0.21 0.00 0.28 -1.40 0.00 0.00 179.01 178.02 3kht n VAL 78 N -4.92 0.00 0.00 3.13 0.31 0.35 -1.84 118.33 115.35 3kht n VAL 78 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3kht n VAL 78 Cb 0.03 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 3kht n VAL 78 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kht n SER 80 N 0.51 0.00 -0.18 4.52 7.64 0.16 -0.77 113.62 125.50 3kht n SER 80 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 3kht n SER 80 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 3kht n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kht h ALA 81 N 0.00 1.07 -0.24 -0.43 0.00 -1.61 -1.98 119.26 116.06 3kht h ALA 81 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3kht h ALA 81 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kht h ALA 81 CO 0.00 0.61 -0.42 0.28 0.00 0.00 0.00 179.25 179.72 3kht h VAL 82 N 0.91 1.30 0.00 0.00 2.07 -1.21 -3.06 116.25 116.27 3kht h VAL 82 Ca 0.19 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3kht h VAL 82 Cb 0.37 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3kht h VAL 82 CO 0.01 0.51 0.00 0.54 0.02 0.00 0.00 177.57 178.64 3kht n ARG 83 N -4.02 0.28 -2.11 1.57 5.12 -0.77 -3.44 116.66 113.29 3kht n ARG 83 Ca -0.02 0.09 -0.33 0.00 -1.93 0.00 0.00 57.85 55.66 3kht n ARG 83 Cb 0.53 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.34 3kht n ARG 83 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kht s LYS 84 N -2.61 3.36 0.38 5.56 1.02 -1.07 -4.85 119.74 121.54 3kht s LYS 84 Ca 0.19 1.25 -0.23 0.00 0.02 0.00 0.00 55.97 57.21 3kht s LYS 84 Cb 0.14 -2.04 -0.14 0.00 -0.52 0.00 0.00 37.83 35.27 3kht s LYS 84 CO 0.33 -0.78 0.38 -2.30 -0.92 0.00 0.00 175.35 172.06 3kht n PRO 85 N -1.88 0.31 0.00 -1.68 -0.02 -1.26 -4.11 135.00 126.35 3kht n PRO 85 Ca 0.09 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3kht n PRO 85 Cb 0.53 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3kht n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kht n GLY 86 N 2.00 2.26 0.19 -1.23 0.00 -1.26 -4.87 105.19 102.29 3kht n GLY 86 Ca 0.12 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 3kht n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kht h ALA 87 N 0.00 0.55 -0.35 4.61 0.00 -1.91 -2.58 119.26 119.58 3kht h ALA 87 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kht h ALA 87 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kht h ALA 87 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3kht n ASN 88 N -4.73 3.53 -0.34 0.00 3.02 -1.26 -4.52 115.26 110.95 3kht n ASN 88 Ca 0.01 -2.46 0.12 0.00 -0.03 0.00 0.00 54.58 52.22 3kht n ASN 88 Cb 0.06 -0.56 0.31 0.00 -0.61 0.00 0.00 39.78 38.98 3kht n ASN 88 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3kht h GLN 89 N 2.35 0.70 -0.15 3.52 4.15 -1.48 -1.93 115.11 122.27 3kht h GLN 89 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3kht h GLN 89 Cb 1.24 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3kht h GLN 89 CO 0.24 0.46 0.00 0.72 -1.93 0.00 0.00 178.83 178.33 3kht n HIS 90 N -4.80 0.54 -1.89 3.99 8.25 -1.26 -4.45 115.22 115.59 3kht n HIS 90 Ca 0.22 -0.93 -0.42 0.00 -0.26 0.00 0.00 57.72 56.33 3kht n HIS 90 Cb 0.56 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 3kht n HIS 90 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kht s THR 91 N -2.85 3.02 0.21 1.59 2.01 -0.73 -4.94 115.64 113.95 3kht s THR 91 Ca 0.38 0.43 -0.32 0.00 0.31 0.00 0.00 61.69 62.49 3kht s THR 91 Cb 0.32 -3.27 -0.15 0.00 0.01 0.00 0.00 72.50 69.40 3kht s THR 91 CO 0.06 -0.01 1.22 -2.65 -0.69 0.00 0.00 174.62 172.56 3kht n PRO 92 N 5.83 1.47 -4.02 4.92 -0.02 -1.26 -4.86 135.00 137.05 3kht n PRO 92 Ca 0.16 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 3kht n PRO 92 Cb 0.40 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 3kht n PRO 92 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kht s ILE 93 N -0.26 2.49 -0.20 4.25 1.01 -1.26 -1.69 121.20 125.54 3kht s ILE 93 Ca 0.70 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3kht s ILE 93 Cb -0.77 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3kht s ILE 93 CO 0.52 0.17 0.06 -0.69 0.00 0.00 0.00 174.94 175.00 3kht s VAL 94 N 1.24 4.56 -0.15 2.92 1.01 0.14 0.04 120.40 130.16 3kht s VAL 94 Ca -0.02 -0.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 3kht s VAL 94 Cb -0.17 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3kht s VAL 94 CO -0.06 0.42 0.75 -0.63 0.00 0.00 0.00 175.10 175.58 3kht s ILE 95 N 0.75 4.95 -0.31 2.22 -1.09 0.43 -0.96 121.20 127.19 3kht s ILE 95 Ca 0.03 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 59.93 3kht s ILE 95 Cb -0.13 -4.06 0.10 0.00 -1.58 0.00 0.00 42.46 36.78 3kht s ILE 95 CO 0.02 0.10 0.07 -0.22 -1.23 0.00 0.00 174.94 173.68 3kht s LEU 96 N 1.78 2.82 -0.08 2.97 2.96 -0.54 0.30 118.68 128.89 3kht s LEU 96 Ca 0.36 -1.70 -0.08 0.00 -0.22 0.00 0.00 54.13 52.49 3kht s LEU 96 Cb -0.17 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.49 3kht s LEU 96 CO 0.13 -0.39 0.23 0.28 -1.32 0.00 0.00 176.35 175.28 3kht s THR 97 N 1.44 0.01 0.39 3.68 -1.32 -0.94 -3.93 115.64 114.97 3kht s THR 97 Ca 0.09 -0.08 -0.27 0.00 -1.21 0.00 0.00 61.69 60.22 3kht s THR 97 Cb -0.18 -0.35 -0.10 0.00 -1.51 0.00 0.00 72.50 70.37 3kht s THR 97 CO -0.19 -0.04 1.37 -1.81 -2.21 0.00 0.00 174.62 171.74 3kht s ASP 98 N -0.06 6.35 -1.65 8.08 1.01 -1.26 -1.82 116.67 127.31 3kht s ASP 98 Ca -0.02 2.81 -0.01 0.00 0.71 0.00 0.00 52.55 56.05 3kht s ASP 98 Cb -0.02 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.26 3kht s ASP 98 CO 0.01 -0.84 0.11 0.59 0.21 0.00 0.00 175.17 175.24 3kht n ASN 99 N 0.31 -5.71 -4.65 0.27 3.02 -1.26 -4.90 115.26 102.33 3kht n ASN 99 Ca 0.02 -0.07 -0.48 0.00 -0.03 0.00 0.00 54.58 54.03 3kht n ASN 99 Cb 0.42 -4.70 -0.05 0.00 -0.61 0.00 0.00 39.78 34.84 3kht n ASN 99 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3kht n VAL 100 N -4.10 0.07 -2.76 2.41 0.24 -1.25 -4.98 118.33 107.95 3kht n VAL 100 Ca -0.21 -0.01 -0.23 0.00 -2.04 0.00 0.00 64.34 61.85 3kht n VAL 100 Cb 0.67 -1.40 0.02 0.00 -1.47 0.00 0.00 33.84 31.66 3kht n VAL 100 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kht s SER 101 N 1.23 5.57 0.30 -1.34 1.04 -1.26 -4.97 113.70 114.27 3kht s SER 101 Ca 0.82 0.24 0.02 0.00 0.48 0.00 0.00 55.95 57.52 3kht s SER 101 Cb -0.76 -1.31 0.47 0.00 0.10 0.00 0.00 66.02 64.52 3kht s SER 101 CO 0.42 -0.93 1.79 0.44 0.98 0.00 0.00 173.24 175.94 3kht h ASP 102 N 0.17 0.56 -0.24 7.02 3.32 -1.99 -1.57 116.42 123.70 3kht h ASP 102 Ca -0.45 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.42 3kht h ASP 102 Cb 1.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3kht h ASP 102 CO 0.56 0.69 -0.03 0.44 -1.72 0.00 0.00 179.24 179.18 3kht h ASP 103 N 0.54 0.44 -0.33 6.45 3.32 -1.98 -0.47 116.42 124.38 3kht h ASP 103 Ca 0.10 -0.34 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 3kht h ASP 103 Cb 0.48 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3kht h ASP 103 CO 0.03 0.67 -0.16 -0.09 -1.72 0.00 0.00 179.24 177.97 3kht h ARG 104 N 0.19 0.69 -0.16 3.56 9.65 -1.91 0.92 114.38 127.32 3kht h ARG 104 Ca 0.06 -0.30 0.05 0.00 -1.10 0.00 0.00 59.98 58.69 3kht h ARG 104 Cb 0.47 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.97 3kht h ARG 104 CO 0.02 0.90 -0.23 0.00 2.80 0.00 0.00 179.97 183.46 3kht h ALA 105 N 0.77 -0.17 -0.46 2.80 0.00 -1.23 0.33 119.26 121.30 3kht h ALA 105 Ca 0.07 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3kht h ALA 105 Cb 0.69 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3kht h ALA 105 CO 0.05 -0.68 0.18 -0.22 0.00 0.00 0.00 179.25 178.58 3kht h LYS 106 N -0.27 0.36 -0.72 0.00 3.64 -0.83 -2.23 116.57 116.51 3kht h LYS 106 Ca 0.11 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3kht h LYS 106 Cb 0.44 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3kht h LYS 106 CO -0.32 0.24 0.47 1.96 -2.27 0.00 0.00 179.45 179.52 3kht h GLN 107 N 0.37 0.91 -1.53 1.90 4.20 -0.44 -1.43 115.11 119.08 3kht h GLN 107 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3kht h GLN 107 Cb 0.20 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3kht h GLN 107 CO -0.21 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 178.55 3kht n ALA 110 N 0.84 0.00 1.51 0.00 0.00 -0.54 -1.45 120.51 120.87 3kht n ALA 110 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3kht n ALA 110 Cb 0.06 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.26 3kht n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kht n ALA 111 N 0.00 2.59 0.00 0.00 0.00 -0.85 -4.89 120.51 117.36 3kht n ALA 111 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3kht n ALA 111 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 3kht n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kht n GLY 112 N 1.24 1.04 3.70 0.00 0.00 -0.93 -4.25 105.19 105.98 3kht n GLY 112 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3kht n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kht n ALA 113 N -0.27 1.22 0.03 4.61 0.00 -0.53 -4.80 120.51 120.77 3kht n ALA 113 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.50 3kht n ALA 113 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 17.17 3kht n ALA 113 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kht h SER 114 N 1.69 0.63 -3.99 0.00 0.02 -0.73 -3.48 113.55 107.69 3kht h SER 114 Ca -0.49 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.01 3kht h SER 114 Cb 1.31 -0.19 -0.21 0.00 0.14 0.00 0.00 62.40 63.44 3kht h SER 114 CO 0.58 1.20 0.18 -0.55 -1.14 0.00 0.00 176.83 177.09 3kht s SER 115 N -7.04 -0.70 -0.16 3.07 0.15 -1.08 -4.99 113.70 102.96 3kht s SER 115 Ca -0.07 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.88 3kht s SER 115 Cb 0.10 1.30 -0.00 0.00 -1.71 0.00 0.00 66.02 65.70 3kht s SER 115 CO 0.86 -0.27 -0.15 -0.69 1.20 0.00 0.00 173.24 174.19 3kht s VAL 116 N 0.20 2.70 -0.11 4.45 1.01 -1.26 -0.43 120.40 126.95 3kht s VAL 116 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3kht s VAL 116 Cb -0.04 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.21 3kht s VAL 116 CO 0.01 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 174.80 3kht s VAL 117 N 0.82 1.37 -0.08 2.92 1.01 0.15 -4.95 120.40 121.63 3kht s VAL 117 Ca -0.05 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3kht s VAL 117 Cb -0.15 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3kht s VAL 117 CO -0.00 0.42 1.65 -0.62 0.00 0.00 0.00 175.10 176.54 3kht s ASP 118 N 1.18 6.62 0.36 3.32 -1.08 -1.26 -2.20 116.67 123.61 3kht s ASP 118 Ca -0.03 2.13 0.11 0.00 -0.52 0.00 0.00 52.55 54.24 3kht s ASP 118 Cb -0.14 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.66 3kht s ASP 118 CO -0.04 -0.98 1.84 0.11 0.52 0.00 0.00 175.17 176.62 3kht h LYS 119 N 9.74 0.61 -6.76 4.34 1.57 -1.69 -3.47 116.57 120.91 3kht h LYS 119 Ca -0.38 -0.04 -0.55 0.00 -1.87 0.00 0.00 60.65 57.81 3kht h LYS 119 Cb 1.17 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 3kht h LYS 119 CO 0.96 0.40 -0.96 0.43 -0.57 0.00 0.00 179.45 179.71 3kht n SER 120 N -4.60 -2.24 -0.01 0.86 7.64 -1.26 -3.46 113.62 110.55 3kht n SER 120 Ca 0.20 -1.18 0.14 0.00 1.01 0.00 0.00 58.87 59.03 3kht n SER 120 Cb 0.57 -2.25 0.58 0.00 -1.01 0.00 0.00 64.21 62.10 3kht n SER 120 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3kht n SER 121 N -2.61 0.11 0.00 6.43 3.41 -1.26 -1.33 113.62 118.37 3kht n SER 121 Ca -0.21 0.25 0.11 0.00 -0.26 0.00 0.00 58.87 58.76 3kht n SER 121 Cb 0.63 -0.34 0.63 0.00 -0.26 0.00 0.00 64.21 64.87 3kht n SER 121 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kht n ASN 122 N -1.45 0.00 -3.54 4.04 6.94 -1.26 -4.18 115.26 115.82 3kht n ASN 122 Ca 0.08 -0.67 -0.29 0.00 -0.02 0.00 0.00 54.58 53.68 3kht n ASN 122 Cb 0.33 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.62 3kht n ASN 122 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kht s ASN 123 N -2.00 3.21 0.56 0.53 3.84 -0.44 -5.00 114.94 115.65 3kht s ASN 123 Ca 0.32 -2.21 0.24 0.00 0.21 0.00 0.00 52.86 51.42 3kht s ASN 123 Cb 0.15 -0.57 1.58 0.00 -0.55 0.00 0.00 41.25 41.86 3kht s ASN 123 CO 0.24 -0.31 2.20 1.62 -2.79 0.00 0.00 177.10 178.06 3kht h VAL 124 N 5.23 0.71 -0.14 -5.21 3.04 -1.76 -0.74 116.25 117.37 3kht h VAL 124 Ca 0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.67 3kht h VAL 124 Cb 0.96 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 3kht h VAL 124 CO 0.34 0.00 -0.04 0.74 -1.01 0.00 0.00 177.57 177.59 3kht h THR 125 N 0.00 1.30 -0.07 3.17 2.02 -1.94 0.16 112.91 117.54 3kht h THR 125 Ca 0.02 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 3kht h THR 125 Cb 0.07 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3kht h THR 125 CO -0.00 0.30 0.00 0.44 0.37 0.00 0.00 175.52 176.63 3kht h ASP 126 N -0.03 0.12 -0.48 4.18 3.32 -1.57 -2.56 116.42 119.40 3kht h ASP 126 Ca 0.04 -0.29 0.10 0.00 0.02 0.00 0.00 57.03 56.89 3kht h ASP 126 Cb 0.48 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.91 3kht h ASP 126 CO 0.02 0.39 -0.13 0.15 -1.72 0.00 0.00 179.24 177.94 3kht h PHE 127 N -0.14 -0.28 -0.08 4.55 3.57 -1.20 0.46 116.94 123.81 3kht h PHE 127 Ca 0.02 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3kht h PHE 127 Cb 0.32 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3kht h PHE 127 CO 0.03 -0.22 -0.03 -0.92 -2.23 0.00 0.00 178.31 174.94 3kht h TYR 128 N -0.01 -0.08 -0.29 0.41 3.20 -0.96 -1.75 116.97 117.49 3kht h TYR 128 Ca 0.23 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 3kht h TYR 128 Cb 0.36 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3kht h TYR 128 CO -0.42 -0.06 -0.26 0.78 -1.64 0.00 0.00 178.16 176.56 3kht h GLY 129 N -0.02 0.62 1.02 1.82 0.00 -1.13 -1.10 103.07 104.28 3kht h GLY 129 Ca 0.04 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3kht h GLY 129 CO -0.10 0.48 0.42 3.21 0.00 0.00 0.00 176.54 180.55 3kht h ARG 130 N 0.50 1.15 -0.04 4.80 3.08 -0.69 0.05 114.38 123.23 3kht h ARG 130 Ca 0.07 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kht h ARG 130 Cb 0.72 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3kht h ARG 130 CO 0.05 0.86 -0.04 0.82 -1.07 0.00 0.00 179.97 180.60 3kht h ILE 131 N 1.14 0.87 -0.91 2.04 2.04 -1.15 -0.55 117.51 121.00 3kht h ILE 131 Ca 0.28 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 3kht h ILE 131 Cb 0.07 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3kht h ILE 131 CO -0.04 0.00 0.52 0.22 0.00 0.00 0.00 178.15 178.85 3kht h TYR 132 N -0.06 1.22 -0.56 1.37 3.20 -0.92 -2.27 116.97 118.96 3kht h TYR 132 Ca 0.03 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3kht h TYR 132 Cb 0.10 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 3kht h TYR 132 CO -0.14 0.82 0.33 0.00 -1.64 0.00 0.00 178.16 177.54 3kht h ALA 133 N 1.32 0.71 0.28 1.82 0.00 -0.66 0.13 119.26 122.86 3kht h ALA 133 Ca 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kht h ALA 133 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3kht h ALA 133 CO -0.06 0.20 -0.15 0.82 0.00 0.00 0.00 179.25 180.07 3kht h ILE 134 N 0.75 0.70 -0.18 0.00 2.04 -0.82 0.23 117.51 120.23 3kht h ILE 134 Ca 0.20 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.89 3kht h ILE 134 Cb -0.00 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3kht h ILE 134 CO -0.04 0.00 -0.57 -0.26 0.00 0.00 0.00 178.15 177.28 3kht h PHE 135 N -0.40 0.71 0.24 1.37 0.04 -1.35 -2.06 116.94 115.49 3kht h PHE 135 Ca -0.04 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 3kht h PHE 135 Cb 0.31 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3kht h PHE 135 CO -0.07 1.00 -0.12 1.03 -0.60 0.00 0.00 178.31 179.56 3kht h SER 136 N 0.43 -0.27 0.79 2.17 0.87 -0.83 -0.54 113.55 116.16 3kht h SER 136 Ca 0.00 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 3kht h SER 136 Cb 1.12 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 3kht h SER 136 CO 0.11 -0.08 -0.38 0.22 -0.53 0.00 0.00 176.83 176.17 3kht h TYR 137 N -0.46 -0.98 0.00 2.24 3.20 -0.48 0.44 116.97 120.93 3kht h TYR 137 Ca -0.03 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 3kht h TYR 137 Cb 0.35 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3kht h TYR 137 CO -0.02 -0.61 -0.32 -1.49 -1.64 0.00 0.00 178.16 174.08 3kht h TRP 138 N -1.08 0.00 0.00 -3.82 4.06 -1.44 0.14 115.95 113.82 3kht h TRP 138 Ca -0.11 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.70 3kht h TRP 138 Cb 0.81 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 3kht h TRP 138 CO -0.02 0.32 -2.14 1.28 -3.56 0.00 0.00 178.44 174.32 3kht n LEU 139 N -3.41 0.01 0.00 -4.49 4.77 -0.21 -4.35 117.00 109.31 3kht n LEU 139 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3kht n LEU 139 Cb 0.51 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3kht n LEU 139 CO 0.36 0.19 0.07 0.35 -1.33 0.00 0.00 177.39 177.03 3kht n THR 140 N -2.45 0.00 -0.04 -5.08 -2.24 0.14 -4.83 114.28 99.78 3kht n THR 140 Ca -0.15 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.13 3kht n THR 140 Cb 0.80 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 70.05 3kht n THR 140 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kht n VAL 141 N -0.57 1.27 -1.78 2.28 0.31 -0.52 -5.00 118.33 114.32 3kht n VAL 141 Ca 0.00 0.17 -0.41 0.00 -0.01 0.00 0.00 64.34 64.08 3kht n VAL 141 Cb 0.01 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 30.98 3kht n VAL 141 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3kht s ASN 142 N -6.04 6.38 0.23 4.52 2.47 -0.08 -4.88 114.94 117.55 3kht s ASN 142 Ca -0.17 2.95 -0.31 0.00 0.42 0.00 0.00 52.86 55.74 3kht s ASN 142 Cb 0.03 -2.63 -0.12 0.00 -1.45 0.00 0.00 41.25 37.08 3kht s ASN 142 CO 0.24 -0.91 1.66 -2.28 -3.72 0.00 0.00 177.10 172.09 3kht s HIS 143 N -0.02 2.87 -0.08 0.43 5.65 -1.26 -4.72 115.29 118.16 3kht s HIS 143 Ca 0.63 0.53 0.04 0.00 0.25 0.00 0.00 55.06 56.51 3kht s HIS 143 Cb -0.48 -4.09 -0.01 0.00 -1.18 0.00 0.00 32.58 26.82 3kht s HIS 143 CO 0.48 -3.97 -0.20 0.00 -0.65 0.00 0.00 174.74 170.40