#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco n GLY 2 N 0.00 1.53 4.24 -5.12 0.00 -1.26 -4.92 105.19 99.66 2kco n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kco n GLY 2 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kco n PHE 3 N 0.00 0.00 -1.43 1.61 7.35 -1.26 -4.97 117.46 118.77 2kco n PHE 3 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 2kco n PHE 3 Cb 0.00 0.00 0.09 0.00 0.35 0.00 0.00 39.48 39.92 2kco n PHE 3 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 2kco s TYR 4 N 0.00 2.78 1.02 -5.13 1.13 -1.26 -5.07 117.35 110.82 2kco s TYR 4 Ca 0.00 1.36 -0.17 0.00 -1.41 0.00 0.00 57.07 56.85 2kco s TYR 4 Cb 0.00 -3.03 0.22 0.00 -1.10 0.00 0.00 41.96 38.05 2kco s TYR 4 CO 0.00 -1.70 1.27 1.14 -2.51 0.00 0.00 175.55 173.75 2kco s GLN 5 N -5.02 0.17 0.00 -3.49 -2.07 -1.26 -5.12 119.66 102.87 2kco s GLN 5 Ca 0.60 -0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.82 2kco s GLN 5 Cb -0.16 -1.78 0.00 0.00 -1.09 0.00 0.00 33.01 29.98 2kco s GLN 5 CO 0.55 -2.74 0.00 0.41 -1.32 0.00 0.00 175.29 172.19 2kco n GLY 6 N -3.05 1.89 1.41 2.60 0.00 -1.26 -5.14 105.19 101.65 2kco n GLY 6 Ca 0.15 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 2kco n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kco n PRO 7 N 0.00 -0.71 -2.11 1.61 -0.04 -1.26 -5.04 135.00 127.45 2kco n PRO 7 Ca 0.00 -0.74 -0.39 0.00 -0.04 0.00 0.00 63.50 62.33 2kco n PRO 7 Cb 0.00 -0.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.93 2kco n PRO 7 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kco s ASP 8 N -2.77 6.32 -0.23 3.54 2.15 -1.26 -4.93 116.67 119.50 2kco s ASP 8 Ca 0.28 2.57 -0.30 0.00 0.43 0.00 0.00 52.55 55.53 2kco s ASP 8 Cb -0.01 -2.63 -0.07 0.00 -0.30 0.00 0.00 42.92 39.91 2kco s ASP 8 CO 0.20 -0.83 2.18 -0.46 -0.17 0.00 0.00 175.17 176.09 2kco n ASN 9 N 0.07 3.05 -4.64 -0.34 6.94 -1.26 -4.89 115.26 114.19 2kco n ASN 9 Ca 0.04 0.34 -0.42 0.00 -0.02 0.00 0.00 54.58 54.52 2kco n ASN 9 Cb 0.44 -1.47 -0.03 0.00 -2.36 0.00 0.00 39.78 36.36 2kco n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kco s ARG 10 N 6.07 3.78 -0.74 -3.83 1.70 -1.26 -4.91 118.95 119.76 2kco s ARG 10 Ca 1.02 2.32 -0.24 0.00 -0.47 0.00 0.00 55.73 58.36 2kco s ARG 10 Cb -0.49 -4.21 0.06 0.00 -0.57 0.00 0.00 34.95 29.74 2kco s ARG 10 CO 0.40 -1.36 1.12 0.15 -1.08 0.00 0.00 175.30 174.52 2kco s LYS 11 N 5.09 3.22 -0.07 3.89 1.02 -1.26 -5.00 119.74 126.63 2kco s LYS 11 Ca 0.90 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 56.18 2kco s LYS 11 Cb -0.37 -4.37 -0.01 0.00 -0.52 0.00 0.00 37.83 32.55 2kco s LYS 11 CO 0.38 -1.95 -0.21 0.42 -0.92 0.00 0.00 175.35 173.07 2kco s ILE 12 N 4.52 2.37 0.67 2.17 -1.09 -1.26 -5.14 121.20 123.44 2kco s ILE 12 Ca 0.29 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 57.70 2kco s ILE 12 Cb -0.12 -1.90 0.05 0.00 -1.58 0.00 0.00 42.46 38.91 2kco s ILE 12 CO 0.08 0.57 0.98 0.28 -1.23 0.00 0.00 174.94 175.62 2kco s THR 13 N -0.18 2.65 0.00 2.92 -1.32 -1.26 -5.05 115.64 113.40 2kco s THR 13 Ca -0.02 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2kco s THR 13 Cb -0.14 -3.12 0.00 0.00 -1.51 0.00 0.00 72.50 67.73 2kco s THR 13 CO 0.03 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 2kco n GLY 14 N -2.83 0.00 3.75 6.08 0.00 -1.26 -5.11 105.19 105.82 2kco n GLY 14 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2kco n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kco s GLY 15 N -2.01 3.07 -0.08 -0.02 0.00 -1.26 -5.06 107.32 101.96 2kco s GLY 15 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 44.72 45.14 2kco s GLY 15 CO 0.00 1.32 0.58 0.48 0.00 0.00 0.00 173.10 175.48 2kco s LEU 16 N -0.98 -0.25 -0.20 0.66 -0.00 -1.26 -5.19 118.68 111.45 2kco s LEU 16 Ca 0.43 0.69 -0.28 0.00 -0.00 0.00 0.00 54.13 54.97 2kco s LEU 16 Cb -0.27 2.16 0.12 0.00 -0.00 0.00 0.00 46.19 48.20 2kco s LEU 16 CO 0.33 -0.48 0.98 -0.75 -0.00 0.00 0.00 176.35 176.42 2kco s LYS 17 N -0.88 0.61 0.03 1.48 2.20 -1.26 -5.19 119.74 116.73 2kco s LYS 17 Ca -0.09 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.87 2kco s LYS 17 Cb -0.02 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2kco s LYS 17 CO 0.07 -0.15 -0.05 0.20 -0.36 0.00 0.00 175.35 175.06 2kco s GLY 18 N -0.59 0.34 -0.19 5.54 0.00 -1.26 -5.15 107.32 106.01 2kco s GLY 18 Ca -0.01 -0.58 -0.19 0.00 0.00 0.00 0.00 44.72 43.93 2kco s GLY 18 CO -0.01 -0.63 0.56 1.25 0.00 0.00 0.00 173.10 174.28 2kco s LYS 19 N -1.27 4.21 -0.27 2.90 2.47 -1.26 -5.06 119.74 121.46 2kco s LYS 19 Ca -0.10 0.50 -0.12 0.00 -1.56 0.00 0.00 55.97 54.69 2kco s LYS 19 Cb -0.08 -3.56 -0.05 0.00 -1.46 0.00 0.00 37.83 32.68 2kco s LYS 19 CO -0.00 -0.17 0.23 -1.58 0.16 0.00 0.00 175.35 173.99 2kco s HIS 20 N 1.70 3.25 0.66 4.03 5.65 -1.26 -5.10 115.29 124.22 2kco s HIS 20 Ca 0.26 0.22 -0.10 0.00 0.25 0.00 0.00 55.06 55.70 2kco s HIS 20 Cb -0.16 -2.41 0.01 0.00 -1.18 0.00 0.00 32.58 28.84 2kco s HIS 20 CO 0.10 -0.13 1.03 1.03 -0.65 0.00 0.00 174.74 176.11 2kco s ARG 21 N 1.70 2.90 0.90 2.88 1.81 -1.26 -5.09 118.95 122.80 2kco s ARG 21 Ca 0.09 0.31 -0.14 0.00 -1.72 0.00 0.00 55.73 54.27 2kco s ARG 21 Cb -0.16 -2.11 0.14 0.00 -0.45 0.00 0.00 34.95 32.38 2kco s ARG 21 CO 0.10 -0.90 1.22 -0.51 -0.68 0.00 0.00 175.30 174.53 2kco s ASP 22 N -4.33 3.66 0.09 0.23 1.11 -1.26 -5.04 116.67 111.13 2kco s ASP 22 Ca 0.57 0.61 -0.22 0.00 0.18 0.00 0.00 52.55 53.68 2kco s ASP 22 Cb -0.11 -0.93 -0.07 0.00 1.07 0.00 0.00 42.92 42.89 2kco s ASP 22 CO 0.49 -2.42 0.67 -0.54 1.18 0.00 0.00 175.17 174.56 2kco s LYS 23 N -5.65 4.39 0.06 8.23 3.01 -1.26 -5.06 119.74 123.46 2kco s LYS 23 Ca 0.67 0.93 -0.16 0.00 -1.01 0.00 0.00 55.97 56.40 2kco s LYS 23 Cb -0.09 -3.28 -0.06 0.00 -1.01 0.00 0.00 37.83 33.39 2kco s LYS 23 CO 0.51 0.52 0.49 1.03 0.51 0.00 0.00 175.35 178.41 2kco s ARG 24 N -0.82 4.02 0.61 1.68 0.52 -1.26 -5.09 118.95 118.61 2kco s ARG 24 Ca 0.33 0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 55.97 2kco s ARG 24 Cb -0.21 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.07 2kco s ARG 24 CO 0.22 0.63 1.00 0.15 0.02 0.00 0.00 175.30 177.32 2kco s LYS 25 N -1.30 3.49 -0.26 3.54 3.01 -1.26 -5.08 119.74 121.88 2kco s LYS 25 Ca 0.29 0.62 0.03 0.00 -1.01 0.00 0.00 55.97 55.90 2kco s LYS 25 Cb -0.17 -2.12 0.06 0.00 -1.01 0.00 0.00 37.83 34.59 2kco s LYS 25 CO 0.17 -0.58 -0.10 0.71 0.51 0.00 0.00 175.35 176.05 2kco s TYR 26 N -3.14 3.28 -0.35 3.18 2.02 -1.26 -5.08 117.35 116.00 2kco s TYR 26 Ca 0.54 -2.35 -0.28 0.00 -0.37 0.00 0.00 57.07 54.61 2kco s TYR 26 Cb -0.11 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 2kco s TYR 26 CO 0.52 -0.88 1.79 -1.21 -1.57 0.00 0.00 175.55 174.20 2kco s GLU 27 N 1.10 3.30 -0.29 -0.62 8.01 -1.26 -4.98 118.70 123.95 2kco s GLU 27 Ca -0.08 1.36 -0.09 0.00 0.01 0.00 0.00 54.97 56.17 2kco s GLU 27 Cb -0.20 -4.20 -0.02 0.00 -4.31 0.00 0.00 34.13 25.40 2kco s GLU 27 CO -0.05 -1.90 0.13 0.42 0.01 0.00 0.00 175.26 173.88 2kco s ILE 28 N 6.97 4.59 -0.42 -1.63 -1.09 -1.26 -4.99 121.20 123.36 2kco s ILE 28 Ca 0.78 -0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.93 2kco s ILE 28 Cb -0.21 -3.27 0.26 0.00 -1.58 0.00 0.00 42.46 37.65 2kco s ILE 28 CO 0.33 0.16 1.05 0.61 -1.23 0.00 0.00 174.94 175.85 2kco n GLY 29 N 4.97 -0.66 3.45 6.18 0.00 -1.26 -5.11 105.19 112.76 2kco n GLY 29 Ca -0.14 0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 2kco n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kco s ASN 30 N -1.09 5.76 0.06 1.61 0.01 -1.26 -5.11 114.94 114.92 2kco s ASN 30 Ca 0.29 -0.61 -0.30 0.00 -0.71 0.00 0.00 52.86 51.53 2kco s ASN 30 Cb 0.23 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 2kco s ASN 30 CO -0.18 -0.26 0.97 -2.16 -1.51 0.00 0.00 177.10 173.97 2kco s PRO 31 N 1.64 4.63 -0.31 -0.60 0.04 -1.26 -5.02 135.00 134.12 2kco s PRO 31 Ca 0.05 1.44 -0.29 0.00 0.04 0.00 0.00 61.00 62.24 2kco s PRO 31 Cb -0.18 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 2kco s PRO 31 CO 0.08 0.08 1.60 -1.25 0.04 0.00 0.00 177.00 177.55 2kco s PRO 32 N 0.50 3.60 0.48 0.56 0.04 -1.26 -4.99 135.00 133.93 2kco s PRO 32 Ca 0.49 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 2kco s PRO 32 Cb -0.22 -4.07 -0.07 0.00 0.04 0.00 0.00 34.50 30.18 2kco s PRO 32 CO 0.29 -1.53 1.21 0.95 0.04 0.00 0.00 177.00 177.96 2kco s THR 33 N 5.72 2.87 -0.10 1.26 -4.23 -1.26 -5.01 115.64 114.90 2kco s THR 33 Ca 0.70 0.65 -0.22 0.00 -1.18 0.00 0.00 61.69 61.65 2kco s THR 33 Cb -0.21 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 2kco s THR 33 CO 0.31 -0.01 0.63 -0.36 -0.54 0.00 0.00 174.62 174.65 2kco s PHE 34 N -1.50 3.53 -0.19 3.99 0.40 -1.26 -5.04 117.98 117.91 2kco s PHE 34 Ca 0.66 1.10 -0.29 0.00 -0.60 0.00 0.00 56.93 57.80 2kco s PHE 34 Cb -0.31 -2.73 -0.00 0.00 0.51 0.00 0.00 43.02 40.48 2kco s PHE 34 CO 0.37 0.07 1.14 0.99 0.70 0.00 0.00 175.22 178.50 2kco s THR 35 N 0.92 4.49 0.00 0.64 2.01 -1.26 -5.01 115.64 117.43 2kco s THR 35 Ca 0.33 1.80 0.00 0.00 0.31 0.00 0.00 61.69 64.13 2kco s THR 35 Cb -0.17 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2kco s THR 35 CO 0.15 -0.14 0.01 0.35 -0.69 0.00 0.00 174.62 174.29 2kco n THR 36 N 5.27 0.00 -3.75 -0.82 -2.24 -1.26 -5.10 114.28 106.38 2kco n THR 36 Ca 0.13 0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 62.02 2kco n THR 36 Cb 0.46 -0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2kco n THR 36 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kco s LEU 37 N -0.07 -0.09 -0.25 3.22 0.05 -1.26 -5.04 118.68 115.24 2kco s LEU 37 Ca 0.00 -0.34 0.13 0.00 0.05 0.00 0.00 54.13 53.96 2kco s LEU 37 Cb 0.00 1.80 0.46 0.00 -2.05 0.00 0.00 46.19 46.41 2kco s LEU 37 CO 0.00 -0.66 1.17 -1.54 -0.55 0.00 0.00 176.35 174.78 2kco n SER 38 N -0.66 3.41 -0.19 1.48 3.41 -1.26 -4.90 113.62 114.91 2kco n SER 38 Ca -0.06 -3.25 -0.09 0.00 -0.26 0.00 0.00 58.87 55.22 2kco n SER 38 Cb 0.61 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.17 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kco h ALA 39 N 2.04 0.72 -0.43 7.33 0.00 -2.01 -2.89 119.26 124.02 2kco h ALA 39 Ca 0.16 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2kco h ALA 39 Cb 1.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2kco h ALA 39 CO 0.47 0.50 0.30 0.93 0.00 0.00 0.00 179.25 181.44 2kco h GLU 40 N 0.80 0.18 -0.50 0.00 5.08 -1.99 -0.49 114.58 117.66 2kco h GLU 40 Ca 0.16 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2kco h GLU 40 Cb 0.47 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2kco h GLU 40 CO 0.02 0.12 0.04 -0.44 -1.00 0.00 0.00 179.01 177.75 2kco h ASP 41 N 0.18 0.76 -0.07 1.42 5.19 -1.92 -0.64 116.42 121.34 2kco h ASP 41 Ca 0.20 -0.16 -0.22 0.00 -0.62 0.00 0.00 57.03 56.22 2kco h ASP 41 Cb 0.55 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.87 2kco h ASP 41 CO -0.03 0.80 -0.79 0.40 -3.12 0.00 0.00 179.24 176.49 2kco h ILE 42 N 0.75 1.29 0.00 0.35 2.04 -1.16 -1.78 117.51 119.01 2kco h ILE 42 Ca 0.15 -2.02 -0.07 0.00 1.00 0.00 0.00 64.86 63.92 2kco h ILE 42 Cb 0.39 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2kco h ILE 42 CO 0.01 0.64 -0.34 0.03 0.00 0.00 0.00 178.15 178.49 2kco h ARG 43 N 0.49 0.00 0.02 2.37 -0.00 -1.25 -1.20 114.38 114.81 2kco h ARG 43 Ca -0.05 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 59.18 2kco h ARG 43 Cb 1.41 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.35 2kco h ARG 43 CO 0.16 0.34 -1.22 0.97 0.00 0.00 0.00 179.97 180.22 2kco h ILE 44 N 0.00 1.46 0.00 2.04 6.09 -1.11 -2.01 117.51 123.98 2kco h ILE 44 Ca -0.00 -3.19 -0.06 0.00 -1.37 0.00 0.00 64.86 60.24 2kco h ILE 44 Cb 0.87 2.75 -0.01 0.00 0.47 0.00 0.00 36.82 40.90 2kco h ILE 44 CO 0.04 0.85 -0.30 0.50 -3.07 0.00 0.00 178.15 176.17 2kco h LYS 45 N 0.01 0.00 0.02 2.19 3.64 -1.05 -2.80 116.57 118.58 2kco h LYS 45 Ca -0.10 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.04 2kco h LYS 45 Cb 1.86 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.69 2kco h LYS 45 CO 0.13 0.30 -1.00 0.22 -2.27 0.00 0.00 179.45 176.83 2kco h ASP 46 N 0.00 0.58 -0.43 4.20 3.58 -1.13 -3.30 116.42 119.92 2kco h ASP 46 Ca -0.00 -0.48 -0.10 0.00 0.42 0.00 0.00 57.03 56.87 2kco h ASP 46 Cb 0.54 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2kco h ASP 46 CO 0.04 1.29 -0.08 0.08 -2.88 0.00 0.00 179.24 177.69 2kco h ARG 47 N 0.24 0.88 -0.00 0.28 0.11 -1.12 -3.04 114.38 111.73 2kco h ARG 47 Ca -0.10 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.69 2kco h ARG 47 Cb 1.64 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.65 2kco h ARG 47 CO 0.18 0.93 -0.01 -2.37 0.10 0.00 0.00 179.97 178.80 2kco n THR 48 N -4.17 0.00 -1.76 0.08 5.66 -1.08 -4.85 114.28 108.17 2kco n THR 48 Ca 0.02 -0.01 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 2kco n THR 48 Cb 0.36 -0.45 -0.01 0.00 -1.55 0.00 0.00 70.33 68.68 2kco n THR 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kco n LEU 49 N -1.09 4.53 -4.48 1.09 4.77 -1.15 -4.86 117.00 115.81 2kco n LEU 49 Ca 0.19 1.19 -0.32 0.00 -0.03 0.00 0.00 56.01 57.04 2kco n LEU 49 Cb 0.18 -1.60 -0.05 0.00 -2.33 0.00 0.00 43.42 39.62 2kco n LEU 49 CO 0.20 0.13 1.65 0.61 -1.33 0.00 0.00 177.39 178.66 2kco n GLY 50 N 1.32 1.45 0.42 -0.72 0.00 -1.26 -4.64 105.19 101.75 2kco n GLY 50 Ca 0.05 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.33 2kco n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kco n GLY 51 N 5.58 -0.18 3.83 -0.02 0.00 -1.26 -4.95 105.19 108.19 2kco n GLY 51 Ca 0.46 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2kco n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s ASN 52 N -2.42 6.86 0.28 1.61 2.20 -1.26 -5.08 114.94 117.12 2kco s ASN 52 Ca 0.23 1.60 -0.00 0.00 -0.94 0.00 0.00 52.86 53.75 2kco s ASN 52 Cb 0.19 -2.50 -0.04 0.00 -2.00 0.00 0.00 41.25 36.90 2kco s ASN 52 CO 0.51 -0.37 0.47 -0.36 -2.94 0.00 0.00 177.10 174.41 2kco s PHE 53 N -2.22 3.49 0.62 1.54 0.08 -1.26 -5.12 117.98 115.10 2kco s PHE 53 Ca 0.60 0.35 0.03 0.00 0.12 0.00 0.00 56.93 58.03 2kco s PHE 53 Cb -0.09 -1.87 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 2kco s PHE 53 CO 0.17 0.25 0.86 0.15 -0.10 0.00 0.00 175.22 176.55 2kco s LYS 54 N -3.82 2.14 0.28 0.44 3.01 -1.26 -5.06 119.74 115.47 2kco s LYS 54 Ca 0.39 -1.13 -0.29 0.00 -1.01 0.00 0.00 55.97 53.92 2kco s LYS 54 Cb -0.10 -2.47 -0.10 0.00 -1.01 0.00 0.00 37.83 34.14 2kco s LYS 54 CO 0.32 -1.03 1.38 0.08 0.51 0.00 0.00 175.35 176.61 2kco s VAL 55 N -2.87 2.71 0.56 3.17 1.01 -1.26 -5.02 120.40 118.70 2kco s VAL 55 Ca 0.62 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 63.08 2kco s VAL 55 Cb -0.07 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 2kco s VAL 55 CO 0.41 0.12 1.03 -0.13 0.00 0.00 0.00 175.10 176.53 2kco s ARG 56 N -0.91 3.59 0.08 2.72 1.81 -1.26 -4.97 118.95 120.01 2kco s ARG 56 Ca 0.55 1.11 -0.33 0.00 -1.72 0.00 0.00 55.73 55.34 2kco s ARG 56 Cb -0.41 -2.08 -0.12 0.00 -0.45 0.00 0.00 34.95 31.89 2kco s ARG 56 CO 0.47 -0.58 1.73 1.28 -0.68 0.00 0.00 175.30 177.52 2kco n LEU 57 N -1.81 3.44 -4.72 2.53 4.77 -1.26 -4.92 117.00 115.04 2kco n LEU 57 Ca 0.08 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.67 2kco n LEU 57 Cb 0.53 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.15 2kco n LEU 57 CO 0.47 -0.10 1.08 -0.75 -1.33 0.00 0.00 177.39 176.76 2kco s LYS 58 N 2.23 4.31 -0.38 3.23 2.20 -1.26 -4.95 119.74 125.13 2kco s LYS 58 Ca 0.83 2.13 -0.29 0.00 -0.36 0.00 0.00 55.97 58.29 2kco s LYS 58 Cb -0.63 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2kco s LYS 58 CO 0.41 -0.44 1.43 0.71 -0.36 0.00 0.00 175.35 177.11 2kco s TYR 59 N 0.91 2.39 0.10 4.03 1.51 -1.26 -5.01 117.35 120.02 2kco s TYR 59 Ca 0.64 0.69 -0.30 0.00 -1.01 0.00 0.00 57.07 57.10 2kco s TYR 59 Cb -0.38 -4.21 -0.06 0.00 -0.11 0.00 0.00 41.96 37.20 2kco s TYR 59 CO 0.32 -2.05 0.95 0.99 -1.11 0.00 0.00 175.55 174.65 2kco s THR 60 N 5.33 4.52 0.37 -0.71 2.01 -1.26 -5.04 115.64 120.87 2kco s THR 60 Ca 0.62 2.05 -0.27 0.00 0.31 0.00 0.00 61.69 64.41 2kco s THR 60 Cb -0.15 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 2kco s THR 60 CO 0.31 0.31 1.20 -0.89 -0.69 0.00 0.00 174.62 174.87 2kco s THR 61 N 0.03 3.04 0.13 -0.82 2.01 -1.26 -4.99 115.64 113.78 2kco s THR 61 Ca 0.47 0.94 0.09 0.00 0.31 0.00 0.00 61.69 63.49 2kco s THR 61 Cb -0.23 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2kco s THR 61 CO 0.29 0.14 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.27 2kco s THR 62 N -1.30 1.83 -0.11 -0.82 2.01 -0.89 -2.68 115.64 113.69 2kco s THR 62 Ca 0.54 -1.72 0.02 0.00 0.31 0.00 0.00 61.69 60.84 2kco s THR 62 Cb -0.34 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 2kco s THR 62 CO 0.43 -0.14 -0.20 0.00 -0.69 0.00 0.00 174.62 174.02 2kco s ALA 63 N -1.50 2.33 -0.85 7.40 0.00 -0.09 -1.61 121.76 127.44 2kco s ALA 63 Ca 0.11 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.02 2kco s ALA 63 Cb -0.08 -0.96 0.22 0.00 0.00 0.00 0.00 23.12 22.29 2kco s ALA 63 CO 0.06 0.25 0.77 1.21 0.00 0.00 0.00 175.76 178.05 2kco s ASN 64 N 0.38 6.52 0.13 0.00 2.47 -0.09 -1.24 114.94 123.11 2kco s ASN 64 Ca -0.15 -2.98 -0.30 0.00 0.42 0.00 0.00 52.86 49.85 2kco s ASN 64 Cb -0.17 -2.12 -0.06 0.00 -1.45 0.00 0.00 41.25 37.44 2kco s ASN 64 CO 0.07 -0.45 1.05 -0.69 -3.72 0.00 0.00 177.10 173.36 2kco s VAL 65 N -0.27 4.19 0.07 -5.21 1.01 0.05 -1.47 120.40 118.77 2kco s VAL 65 Ca 0.21 1.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.76 2kco s VAL 65 Cb -0.12 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2kco s VAL 65 CO -0.08 0.27 0.71 -0.22 0.00 0.00 0.00 175.10 175.77 2kco s LEU 66 N 0.02 4.50 -0.33 3.92 1.98 -0.16 0.10 118.68 128.71 2kco s LEU 66 Ca 0.50 1.42 -0.25 0.00 -2.89 0.00 0.00 54.13 52.91 2kco s LEU 66 Cb -0.27 -3.14 0.01 0.00 0.66 0.00 0.00 46.19 43.45 2kco s LEU 66 CO 0.32 0.12 0.87 -1.81 -1.89 0.00 0.00 176.35 173.96 2kco s ASP 67 N -0.54 6.70 0.61 3.68 1.11 0.10 -3.50 116.67 124.82 2kco s ASP 67 Ca 0.35 0.68 0.34 0.00 0.18 0.00 0.00 52.55 54.10 2kco s ASP 67 Cb -0.21 -2.44 1.95 0.00 1.07 0.00 0.00 42.92 43.30 2kco s ASP 67 CO 0.22 -0.73 2.27 1.55 1.18 0.00 0.00 175.17 179.66 2kco h PRO 68 N 8.23 0.00 0.00 8.23 0.13 -1.91 0.30 132.00 146.98 2kco h PRO 68 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2kco h PRO 68 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kco h PRO 68 CO 0.93 0.01 -0.00 0.00 -0.23 0.00 0.00 178.00 178.72 2kco h ALA 69 N 1.99 0.00 0.00 -0.56 0.00 -1.94 -3.41 119.26 115.34 2kco h ALA 69 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2kco h ALA 69 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kco h ALA 69 CO 0.00 0.00 -0.91 1.79 0.00 0.00 0.00 179.25 180.13 2kco h THR 70 N -0.17 0.26 -4.92 0.00 1.35 -2.00 -3.48 112.91 103.95 2kco h THR 70 Ca 0.00 -1.45 -0.21 0.00 -0.55 0.00 0.00 66.41 64.20 2kco h THR 70 Cb 0.00 1.85 0.15 0.00 -1.73 0.00 0.00 68.15 68.42 2kco h THR 70 CO 0.00 0.15 -0.66 -3.20 -0.25 0.00 0.00 175.52 171.55 2kco n ASN 71 N -2.87 -4.96 -4.26 5.36 2.85 0.09 -5.03 115.26 106.44 2kco n ASN 71 Ca -0.02 -0.55 -0.15 0.00 -0.11 0.00 0.00 54.58 53.75 2kco n ASN 71 Cb 0.66 -4.20 -0.10 0.00 1.24 0.00 0.00 39.78 37.37 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kco s THR 72 N -3.30 1.28 0.48 -0.44 -4.23 -1.26 -4.91 115.64 103.27 2kco s THR 72 Ca 0.29 -2.05 -0.06 0.00 -1.18 0.00 0.00 61.69 58.70 2kco s THR 72 Cb -0.04 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 2kco s THR 72 CO 0.58 -0.68 0.80 0.00 -0.54 0.00 0.00 174.62 174.78 2kco s ALA 73 N -3.13 3.38 -0.35 3.99 0.00 -1.26 -0.72 121.76 123.67 2kco s ALA 73 Ca 0.17 -0.45 0.07 0.00 0.00 0.00 0.00 51.96 51.74 2kco s ALA 73 Cb 0.01 -2.63 0.19 0.00 0.00 0.00 0.00 23.12 20.69 2kco s ALA 73 CO 0.02 -0.34 0.59 0.21 0.00 0.00 0.00 175.76 176.23 2kco s LYS 74 N -4.70 0.67 -0.51 0.00 2.20 0.28 -4.92 119.74 112.77 2kco s LYS 74 Ca 0.48 0.10 -0.17 0.00 -0.36 0.00 0.00 55.97 56.02 2kco s LYS 74 Cb -0.10 0.11 0.07 0.00 -1.51 0.00 0.00 37.83 36.40 2kco s LYS 74 CO 0.44 -1.12 0.54 0.21 -0.36 0.00 0.00 175.35 175.06 2kco s LYS 75 N 2.31 3.05 0.09 4.03 2.20 -1.26 -0.77 119.74 129.39 2kco s LYS 75 Ca 0.13 -1.18 0.04 0.00 -0.36 0.00 0.00 55.97 54.60 2kco s LYS 75 Cb -0.08 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.06 2kco s LYS 75 CO -0.17 -1.19 -0.11 0.14 -0.36 0.00 0.00 175.35 173.66 2kco s VAL 76 N 2.18 0.99 0.66 4.02 -7.23 -0.37 -4.96 120.40 115.68 2kco s VAL 76 Ca 0.09 -1.53 -0.17 0.00 -1.81 0.00 0.00 61.98 58.57 2kco s VAL 76 Cb -0.23 -1.25 -0.00 0.00 0.56 0.00 0.00 36.38 35.46 2kco s VAL 76 CO 0.09 -0.46 1.24 -0.75 -0.31 0.00 0.00 175.10 174.91 2kco s LYS 77 N -2.44 2.56 -0.05 4.82 2.20 -1.26 -0.91 119.74 124.65 2kco s LYS 77 Ca 0.03 1.88 -0.23 0.00 -0.36 0.00 0.00 55.97 57.29 2kco s LYS 77 Cb -0.05 -1.87 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 2kco s LYS 77 CO 0.01 -1.54 0.68 0.42 -0.36 0.00 0.00 175.35 174.56 2kco s ILE 78 N -1.66 5.02 0.00 5.43 1.01 -1.09 -2.65 121.20 127.26 2kco s ILE 78 Ca 0.78 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.84 2kco s ILE 78 Cb -0.32 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2kco s ILE 78 CO 0.39 0.28 0.00 0.18 0.00 0.00 0.00 174.94 175.80 2kco n LEU 79 N 3.58 0.21 -3.61 2.97 4.32 -0.43 -4.97 117.00 119.07 2kco n LEU 79 Ca -0.02 0.01 -0.15 0.00 -0.02 0.00 0.00 56.01 55.82 2kco n LEU 79 Cb 0.51 -0.10 -0.07 0.00 -1.62 0.00 0.00 43.42 42.15 2kco n LEU 79 CO 0.46 -0.10 0.27 -1.83 -1.22 0.00 0.00 177.39 174.98 2kco s GLU 80 N -0.19 0.93 0.14 3.23 -1.05 -1.17 -4.98 118.70 115.61 2kco s GLU 80 Ca 0.00 -0.01 -0.18 0.00 -0.15 0.00 0.00 54.97 54.63 2kco s GLU 80 Cb 0.00 0.43 -0.07 0.00 -0.44 0.00 0.00 34.13 34.05 2kco s GLU 80 CO 0.00 -0.30 0.60 0.96 0.95 0.00 0.00 175.26 177.48 2kco s ILE 81 N -1.56 4.73 -0.11 1.83 -0.00 -1.26 -0.32 121.20 124.51 2kco s ILE 81 Ca -0.10 1.11 -0.13 0.00 -0.00 0.00 0.00 60.65 61.52 2kco s ILE 81 Cb -0.02 -3.84 -0.05 0.00 -0.00 0.00 0.00 42.46 38.56 2kco s ILE 81 CO 0.05 0.36 -0.26 0.18 -0.00 0.00 0.00 174.94 175.27 2kco n LEU 82 N 1.16 1.73 -4.66 0.37 7.99 -0.80 -4.89 117.00 117.90 2kco n LEU 82 Ca -0.07 0.28 -0.43 0.00 -0.01 0.00 0.00 56.01 55.79 2kco n LEU 82 Cb 0.51 -0.64 -0.02 0.00 -0.11 0.00 0.00 43.42 43.16 2kco n LEU 82 CO 0.42 -0.39 1.11 -0.70 -1.51 0.00 0.00 177.39 176.32 2kco s GLU 83 N -2.68 4.23 -0.27 3.23 2.12 -1.25 -5.00 118.70 119.08 2kco s GLU 83 Ca -0.22 1.73 -0.29 0.00 0.36 0.00 0.00 54.97 56.56 2kco s GLU 83 Cb 0.03 -3.77 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 2kco s GLU 83 CO 0.32 -0.70 1.55 0.95 -0.54 0.00 0.00 175.26 176.84 2kco s THR 84 N 3.46 3.78 1.00 -1.70 -4.23 -1.26 -4.01 115.64 112.68 2kco s THR 84 Ca 0.57 0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 61.83 2kco s THR 84 Cb -0.23 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 69.95 2kco s THR 84 CO 0.17 -0.39 1.09 -2.16 -0.54 0.00 0.00 174.62 172.79 2kco s PRO 85 N 4.70 0.43 0.24 3.99 0.04 -1.26 -4.94 135.00 138.21 2kco s PRO 85 Ca 0.68 0.58 -0.06 0.00 0.04 0.00 0.00 61.00 62.24 2kco s PRO 85 Cb -0.22 -1.73 0.29 0.00 0.04 0.00 0.00 34.50 32.88 2kco s PRO 85 CO 0.29 -2.74 1.88 0.00 0.04 0.00 0.00 177.00 176.47 2kco h ALA 86 N -1.91 1.19 -1.16 8.56 0.00 -1.96 -2.79 119.26 121.20 2kco h ALA 86 Ca -0.54 -0.04 -0.79 0.00 0.00 0.00 0.00 54.91 53.54 2kco h ALA 86 Cb 1.32 -0.31 -0.27 0.00 0.00 0.00 0.00 17.79 18.54 2kco h ALA 86 CO 0.57 0.43 1.06 0.27 0.00 0.00 0.00 179.25 181.57 2kco n ASN 87 N -4.52 7.43 0.20 0.00 6.94 -1.26 -4.71 115.26 119.34 2kco n ASN 87 Ca 0.12 -3.74 0.13 0.00 -0.02 0.00 0.00 54.58 51.07 2kco n ASN 87 Cb 0.10 -1.14 0.32 0.00 -2.36 0.00 0.00 39.78 36.70 2kco n ASN 87 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2kco h LYS 88 N 3.79 0.00 0.00 -3.83 -0.00 -1.83 0.32 116.57 115.02 2kco h LYS 88 Ca 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.20 2kco h LYS 88 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.45 2kco h LYS 88 CO 1.27 0.00 0.00 1.05 -0.00 0.00 0.00 179.45 181.77 2kco h GLU 89 N 0.00 0.00 0.01 0.07 9.09 -1.87 -3.24 114.58 118.64 2kco h GLU 89 Ca 0.00 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.07 2kco h GLU 89 Cb 0.84 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.88 2kco h GLU 89 CO 0.00 0.00 -2.06 1.28 0.05 0.00 0.00 179.01 178.28 2kco n LEU 90 N -2.89 0.97 0.21 3.06 4.77 -1.01 -4.29 117.00 117.83 2kco n LEU 90 Ca 0.04 0.19 0.15 0.00 -0.03 0.00 0.00 56.01 56.35 2kco n LEU 90 Cb 0.47 0.03 0.72 0.00 -2.33 0.00 0.00 43.42 42.31 2kco n LEU 90 CO 0.32 0.54 0.94 0.00 -1.33 0.00 0.00 177.39 177.86 2kco h ALA 91 N 0.79 1.00 0.00 -1.18 0.00 -0.57 -0.61 119.26 118.69 2kco h ALA 91 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2kco h ALA 91 Cb 2.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 2kco h ALA 91 CO 0.05 0.00 -0.21 0.07 0.00 0.00 0.00 179.25 179.15 2kco h ARG 92 N 0.00 0.00 -0.02 0.00 0.11 -1.74 -1.77 114.38 110.96 2kco h ARG 92 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kco h ARG 92 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 2kco h ARG 92 CO 0.00 0.21 0.00 0.54 0.10 0.00 0.00 179.97 180.82 2kco n ARG 93 N -3.31 1.43 -0.74 0.08 1.74 -0.29 -4.92 116.66 110.64 2kco n ARG 93 Ca 0.01 -0.63 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 2kco n ARG 93 Cb 0.46 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2kco n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kco n GLY 94 N 1.10 0.71 3.49 -0.13 0.00 -0.67 -4.68 105.19 105.01 2kco n GLY 94 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 2kco n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kco s ILE 95 N -2.50 4.70 -0.10 -0.61 -1.09 -0.84 -4.91 121.20 115.85 2kco s ILE 95 Ca 0.00 -2.04 -0.02 0.00 -2.23 0.00 0.00 60.65 56.36 2kco s ILE 95 Cb 0.00 -4.93 -0.03 0.00 -1.58 0.00 0.00 42.46 35.92 2kco s ILE 95 CO 0.00 -1.68 -0.01 -0.63 -1.23 0.00 0.00 174.94 171.40 2kco s ILE 96 N 2.62 4.24 0.00 2.92 1.01 -1.26 -2.40 121.20 128.34 2kco s ILE 96 Ca 0.42 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 2kco s ILE 96 Cb -0.02 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2kco s ILE 96 CO -0.03 0.58 0.33 -0.51 0.00 0.00 0.00 174.94 175.32 2kco s ILE 97 N -0.66 5.19 -0.33 2.92 2.07 -1.26 -4.24 121.20 124.88 2kco s ILE 97 Ca 0.11 0.48 -0.38 0.00 -1.41 0.00 0.00 60.65 59.44 2kco s ILE 97 Cb -0.12 -3.61 -0.14 0.00 0.13 0.00 0.00 42.46 38.73 2kco s ILE 97 CO 0.02 0.46 2.01 -1.14 -1.91 0.00 0.00 174.94 174.38 2kco n ARG 98 N 1.43 1.03 0.00 3.50 0.63 -1.23 -2.15 116.66 119.87 2kco n ARG 98 Ca -0.13 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2kco n ARG 98 Cb 0.53 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.21 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kco n GLY 99 N 5.74 1.30 3.87 5.14 0.00 0.20 -4.99 105.19 116.44 2kco n GLY 99 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 2kco n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kco s ALA 100 N -2.00 3.73 0.06 4.61 0.00 -0.91 -4.89 121.76 122.36 2kco s ALA 100 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 51.96 51.34 2kco s ALA 100 Cb 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 23.12 20.79 2kco s ALA 100 CO 0.00 0.57 0.74 0.15 0.00 0.00 0.00 175.76 177.21 2kco s LYS 101 N -1.91 4.47 0.09 0.00 3.01 -1.26 -1.90 119.74 122.25 2kco s LYS 101 Ca 0.33 1.03 0.04 0.00 -1.01 0.00 0.00 55.97 56.35 2kco s LYS 101 Cb -0.14 -3.34 -0.04 0.00 -1.01 0.00 0.00 37.83 33.31 2kco s LYS 101 CO 0.18 0.37 -0.10 -1.50 0.51 0.00 0.00 175.35 174.81 2kco s ILE 102 N -0.33 0.91 -0.13 2.17 2.07 -0.16 -1.90 121.20 123.83 2kco s ILE 102 Ca 0.37 -1.63 0.00 0.00 -1.41 0.00 0.00 60.65 57.98 2kco s ILE 102 Cb -0.21 -1.34 -0.01 0.00 0.13 0.00 0.00 42.46 41.03 2kco s ILE 102 CO 0.23 -0.56 -0.13 -0.13 -1.91 0.00 0.00 174.94 172.43 2kco s ARG 103 N -2.78 3.37 0.43 3.50 0.52 0.57 -1.23 118.95 123.34 2kco s ARG 103 Ca 0.05 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 2kco s ARG 103 Cb -0.03 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.85 2kco s ARG 103 CO -0.00 0.21 0.24 0.25 0.02 0.00 0.00 175.30 176.02 2kco n THR 104 N 3.53 0.00 0.12 0.02 -2.24 -0.37 -1.32 114.28 114.03 2kco n THR 104 Ca -0.18 -1.80 0.04 0.00 -2.27 0.00 0.00 64.05 59.84 2kco n THR 104 Cb 0.53 0.02 0.45 0.00 -2.10 0.00 0.00 70.33 69.22 2kco n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kco h GLU 105 N 0.00 0.25 0.04 -0.78 4.39 -1.79 -3.33 114.58 113.35 2kco h GLU 105 Ca -0.30 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 2kco h GLU 105 Cb 1.02 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2kco h GLU 105 CO 0.47 0.30 -0.02 0.00 -1.16 0.00 0.00 179.01 178.60 2kco h ALA 106 N 1.74 -0.51 -3.00 3.43 0.00 -1.94 -3.51 119.26 115.47 2kco h ALA 106 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kco h ALA 106 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kco h ALA 106 CO 0.01 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.16 2kco n GLY 107 N 0.48 2.64 3.71 0.00 0.00 -1.25 -5.12 105.19 105.64 2kco n GLY 107 Ca -0.01 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2kco n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 108 N 0.00 4.35 0.21 0.99 2.96 -1.26 -1.23 118.68 124.69 2kco s LEU 108 Ca 0.00 1.93 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 2kco s LEU 108 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 2kco s LEU 108 CO 0.00 -0.47 0.04 0.00 -1.32 0.00 0.00 176.35 174.60 2kco s ALA 109 N 1.33 1.51 -0.14 5.97 0.00 -0.36 -0.77 121.76 129.30 2kco s ALA 109 Ca 0.57 -1.71 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 2kco s ALA 109 Cb -0.27 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2kco s ALA 109 CO 0.27 -0.38 -0.10 0.54 0.00 0.00 0.00 175.76 176.10 2kco s VAL 110 N -3.70 3.36 -0.04 0.00 0.11 -0.18 -0.99 120.40 118.96 2kco s VAL 110 Ca 0.30 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.50 2kco s VAL 110 Cb 0.07 -2.43 -0.06 0.00 -1.53 0.00 0.00 36.38 32.43 2kco s VAL 110 CO 0.08 0.51 1.66 0.68 -3.33 0.00 0.00 175.10 174.71 2kco s VAL 111 N 0.33 3.52 -0.99 2.04 -7.23 -0.80 -0.83 120.40 116.45 2kco s VAL 111 Ca -0.08 0.67 0.12 0.00 -1.81 0.00 0.00 61.98 60.87 2kco s VAL 111 Cb -0.15 -3.43 0.33 0.00 0.56 0.00 0.00 36.38 33.69 2kco s VAL 111 CO 0.05 -0.05 1.28 0.35 -0.31 0.00 0.00 175.10 176.41 2kco n THR 112 N 5.41 1.02 -4.22 5.32 -2.24 0.17 -0.63 114.28 119.11 2kco n THR 112 Ca 0.17 -1.01 -0.13 0.00 -2.27 0.00 0.00 64.05 60.81 2kco n THR 112 Cb 0.43 0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 2kco n THR 112 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kco s SER 113 N -1.01 0.40 0.24 3.42 0.15 -1.03 -4.94 113.70 110.92 2kco s SER 113 Ca 0.25 -1.38 -0.23 0.00 0.70 0.00 0.00 55.95 55.29 2kco s SER 113 Cb 0.13 0.33 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 2kco s SER 113 CO 0.17 -0.81 0.81 -0.60 1.20 0.00 0.00 173.24 174.01 2kco s ARG 114 N -4.13 4.46 -0.33 5.44 3.52 -1.26 -3.55 118.95 123.10 2kco s ARG 114 Ca 0.38 1.11 -0.41 0.00 -0.13 0.00 0.00 55.73 56.67 2kco s ARG 114 Cb 0.07 -2.97 -0.16 0.00 -1.56 0.00 0.00 34.95 30.33 2kco s ARG 114 CO 0.12 0.41 1.74 -2.30 -0.81 0.00 0.00 175.30 174.46 2kco n PRO 115 N 0.92 0.91 -1.45 5.12 -0.02 -1.26 -4.72 135.00 134.50 2kco n PRO 115 Ca -0.02 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.50 2kco n PRO 115 Cb 0.50 -1.99 0.11 0.00 -0.02 0.00 0.00 33.50 32.11 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kco s GLY 116 N 3.62 1.61 0.49 -1.23 0.00 -0.64 -4.94 107.32 106.23 2kco s GLY 116 Ca 1.01 -0.24 0.28 0.00 0.00 0.00 0.00 44.72 45.77 2kco s GLY 116 CO 0.69 0.24 1.84 -1.61 0.00 0.00 0.00 173.10 174.26 2kco h GLN 117 N -1.31 0.00 0.00 2.90 4.15 -1.94 -1.45 115.11 117.47 2kco h GLN 117 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2kco h GLN 117 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2kco h GLN 117 CO 0.59 0.08 0.00 -3.47 -1.93 0.00 0.00 178.83 174.10 2kco n ASP 118 N -3.18 0.41 -0.11 -0.69 2.03 -1.26 -4.91 116.55 108.85 2kco n ASP 118 Ca 0.01 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2kco n ASP 118 Cb 0.40 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kco n GLY 119 N 0.58 0.86 3.06 0.27 0.00 -0.55 -4.97 105.19 104.44 2kco n GLY 119 Ca 0.04 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 2kco n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kco s VAL 120 N -2.22 1.30 -0.21 1.61 1.01 -1.25 -2.09 120.40 118.55 2kco s VAL 120 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2kco s VAL 120 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2kco s VAL 120 CO 0.00 0.39 -0.09 -0.63 0.00 0.00 0.00 175.10 174.77 2kco s ILE 121 N 0.62 2.97 0.23 2.22 1.09 -0.63 -1.62 121.20 126.08 2kco s ILE 121 Ca -0.15 -0.63 -0.30 0.00 -1.10 0.00 0.00 60.65 58.47 2kco s ILE 121 Cb -0.16 -2.32 -0.10 0.00 -1.06 0.00 0.00 42.46 38.82 2kco s ILE 121 CO 0.05 0.46 1.43 0.20 -0.10 0.00 0.00 174.94 176.98 2kco s ASN 122 N 1.41 6.68 0.22 3.58 -0.87 -1.26 -0.91 114.94 123.79 2kco s ASN 122 Ca 0.05 2.63 0.04 0.00 -1.57 0.00 0.00 52.86 54.01 2kco s ASN 122 Cb -0.14 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.42 2kco s ASN 122 CO -0.06 -0.69 -0.01 0.00 -2.57 0.00 0.00 177.10 173.77 2kco s ALA 123 N 0.12 1.79 -0.08 0.60 0.00 -0.54 -0.65 121.76 123.00 2kco s ALA 123 Ca 0.60 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.84 2kco s ALA 123 Cb -0.41 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2kco s ALA 123 CO 0.41 -0.23 -0.13 0.08 0.00 0.00 0.00 175.76 175.89 2kco s VAL 124 N -3.41 1.24 -0.02 0.00 1.01 -0.01 -0.99 120.40 118.22 2kco s VAL 124 Ca 0.27 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 2kco s VAL 124 Cb 0.05 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2kco s VAL 124 CO 0.08 0.38 1.87 -0.76 0.00 0.00 0.00 175.10 176.67 2kco s LEU 125 N 0.73 4.32 0.25 3.92 1.43 -1.23 -1.01 118.68 127.10 2kco s LEU 125 Ca -0.13 2.44 0.16 0.00 -1.03 0.00 0.00 54.13 55.57 2kco s LEU 125 Cb -0.16 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.58 2kco s LEU 125 CO 0.03 -1.07 1.33 -0.07 0.23 0.00 0.00 176.35 176.80 2kco h LEU 126 N 10.79 0.00 -8.90 1.79 3.38 -1.24 -3.44 115.31 117.69 2kco h LEU 126 Ca -0.45 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.94 2kco h LEU 126 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2kco h LEU 126 CO 0.95 0.46 1.37 -0.75 0.09 0.00 0.00 178.44 180.56 2kco s LYS 127 N -2.99 3.22 -0.01 1.13 2.36 -0.93 -4.97 119.74 117.56 2kco s LYS 127 Ca 0.03 1.64 0.06 0.00 -2.55 0.00 0.00 55.97 55.15 2kco s LYS 127 Cb 0.08 -4.28 -0.02 0.00 -1.05 0.00 0.00 37.83 32.57 2kco s LYS 127 CO 0.75 -2.00 -0.18 1.21 1.55 0.00 0.00 175.35 176.68 2kco s ASN 128 N 7.10 2.11 0.07 1.43 3.84 -1.26 -4.96 114.94 123.27 2kco s ASN 128 Ca 0.88 -0.35 0.23 0.00 0.21 0.00 0.00 52.86 53.83 2kco s ASN 128 Cb -0.26 -0.23 0.04 0.00 -0.55 0.00 0.00 41.25 40.26 2kco s ASN 128 CO 0.34 0.21 1.02 -0.62 -2.79 0.00 0.00 177.10 175.25 2kco n GLU 129 N 2.53 0.34 -1.15 0.43 -0.58 -1.26 -5.10 120.64 115.85 2kco n GLU 129 Ca -0.15 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.74 2kco n GLU 129 Cb 0.54 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.74 2kco n GLU 129 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kco n SER 130 N -2.06 -6.87 -3.17 1.62 2.88 -1.26 -4.99 113.62 99.77 2kco n SER 130 Ca 0.01 0.71 0.02 0.00 -1.33 0.00 0.00 58.87 58.28 2kco n SER 130 Cb 0.45 -3.64 -0.01 0.00 -0.75 0.00 0.00 64.21 60.27 2kco n SER 130 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2kco s GLN 131 N -2.69 0.54 -0.22 -1.46 0.74 -1.26 -5.01 119.66 110.30 2kco s GLN 131 Ca 0.00 0.58 -0.17 0.00 0.05 0.00 0.00 55.36 55.82 2kco s GLN 131 Cb 0.00 0.22 -0.13 0.00 1.10 0.00 0.00 33.01 34.20 2kco s GLN 131 CO 0.00 -0.96 -0.11 -2.13 -0.55 0.00 0.00 175.29 171.54 2kco n ARG 132 N 5.41 0.56 0.00 1.67 0.63 -1.26 -5.35 116.66 118.32 2kco n ARG 132 Ca 0.03 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 2kco n ARG 132 Cb 0.53 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.83 2kco n ARG 132 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57