#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 3.38 3.61 3.03 0.00 -1.26 -5.02 105.19 108.93 2kco n GLY 2 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 2kco n GLY 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kco s PHE 3 N -1.91 2.96 -0.01 1.61 -0.71 -1.26 -5.01 117.98 113.65 2kco s PHE 3 Ca 0.21 0.86 -0.01 0.00 -1.04 0.00 0.00 56.93 56.95 2kco s PHE 3 Cb 0.18 -4.07 0.00 0.00 -1.21 0.00 0.00 43.02 37.92 2kco s PHE 3 CO 0.02 -1.04 0.02 0.71 -1.34 0.00 0.00 175.22 173.59 2kco s TYR 4 N 4.03 -0.02 -0.04 3.49 2.02 -1.26 -5.17 117.35 120.41 2kco s TYR 4 Ca 0.45 0.05 0.07 0.00 -0.37 0.00 0.00 57.07 57.27 2kco s TYR 4 Cb -0.10 -0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.44 2kco s TYR 4 CO 0.24 -0.01 -0.25 1.14 -1.57 0.00 0.00 175.55 175.10 2kco s GLN 5 N 0.07 2.38 0.00 -0.62 -2.07 -1.26 -5.15 119.66 113.01 2kco s GLN 5 Ca -0.00 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 52.63 2kco s GLN 5 Cb -0.01 -2.12 0.00 0.00 -1.09 0.00 0.00 33.01 29.79 2kco s GLN 5 CO -0.00 0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.84 2kco n GLY 6 N 2.74 1.04 3.84 2.60 0.00 -1.26 -5.11 105.19 109.03 2kco n GLY 6 Ca -0.17 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 2kco n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kco s PRO 7 N 0.11 3.23 0.05 1.61 0.04 -1.26 -5.03 135.00 133.75 2kco s PRO 7 Ca 0.00 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 61.61 2kco s PRO 7 Cb 0.00 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2kco s PRO 7 CO 0.00 -0.86 1.25 0.16 0.04 0.00 0.00 177.00 177.59 2kco s ASP 8 N -3.91 7.01 0.15 6.66 -4.77 -1.26 -5.00 116.67 115.57 2kco s ASP 8 Ca 0.57 2.04 -0.30 0.00 -3.30 0.00 0.00 52.55 51.56 2kco s ASP 8 Cb -0.13 -2.57 -0.08 0.00 -1.09 0.00 0.00 42.92 39.05 2kco s ASP 8 CO 0.54 -0.54 1.31 0.54 0.70 0.00 0.00 175.17 177.71 2kco s ASN 9 N 1.22 6.92 -0.17 2.11 2.20 -1.26 -5.02 114.94 120.93 2kco s ASN 9 Ca 0.60 2.31 0.00 0.00 -0.94 0.00 0.00 52.86 54.83 2kco s ASN 9 Cb -0.30 -2.60 0.03 0.00 -2.00 0.00 0.00 41.25 36.39 2kco s ASN 9 CO 0.28 -0.54 -0.11 -0.13 -2.94 0.00 0.00 177.10 173.66 2kco s ARG 10 N 0.39 2.01 0.34 3.55 0.52 -1.26 -5.13 118.95 119.37 2kco s ARG 10 Ca 0.59 -0.67 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 2kco s ARG 10 Cb -0.35 -2.21 -0.09 0.00 0.52 0.00 0.00 34.95 32.82 2kco s ARG 10 CO 0.34 -0.36 1.03 -1.59 0.02 0.00 0.00 175.30 174.75 2kco s LYS 11 N 1.48 4.43 -0.38 3.54 0.00 -1.26 -5.02 119.74 122.53 2kco s LYS 11 Ca 0.01 1.56 -0.25 0.00 0.00 0.00 0.00 55.97 57.29 2kco s LYS 11 Cb -0.15 -2.83 0.01 0.00 0.00 0.00 0.00 37.83 34.87 2kco s LYS 11 CO -0.09 0.09 0.86 0.42 0.00 0.00 0.00 175.35 176.63 2kco s ILE 12 N -1.48 4.64 -0.26 3.79 1.01 -1.26 -5.03 121.20 122.61 2kco s ILE 12 Ca 0.51 1.00 -0.26 0.00 0.00 0.00 0.00 60.65 61.90 2kco s ILE 12 Cb -0.24 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.94 2kco s ILE 12 CO 0.31 -0.53 0.92 -0.89 0.00 0.00 0.00 174.94 174.75 2kco s THR 13 N 3.34 4.74 0.00 2.92 2.01 -1.26 -5.04 115.64 122.35 2kco s THR 13 Ca 0.35 1.69 0.00 0.00 0.31 0.00 0.00 61.69 64.04 2kco s THR 13 Cb -0.12 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.17 2kco s THR 13 CO 0.19 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 2kco n GLY 14 N 3.69 1.04 0.88 4.40 0.00 -1.26 -5.14 105.19 108.80 2kco n GLY 14 Ca 0.08 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 2kco n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kco n GLY 15 N 5.00 3.98 3.64 -0.02 0.00 -1.26 -5.18 105.19 111.35 2kco n GLY 15 Ca 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 2kco n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 16 N 0.00 -0.51 -0.14 0.99 2.96 -1.26 -5.17 118.68 115.55 2kco s LEU 16 Ca 0.02 0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 54.84 2kco s LEU 16 Cb 0.00 1.95 0.07 0.00 0.50 0.00 0.00 46.19 48.71 2kco s LEU 16 CO 0.02 -0.16 0.26 -0.75 -1.32 0.00 0.00 176.35 174.39 2kco s LYS 17 N 0.48 0.15 0.59 1.98 2.47 -1.26 -5.16 119.74 119.00 2kco s LYS 17 Ca 0.00 0.68 -0.17 0.00 -1.56 0.00 0.00 55.97 54.93 2kco s LYS 17 Cb -0.05 -0.17 -0.03 0.00 -1.46 0.00 0.00 37.83 36.11 2kco s LYS 17 CO -0.07 -0.33 1.09 0.20 0.16 0.00 0.00 175.35 176.39 2kco s GLY 18 N 2.41 2.31 0.80 5.54 0.00 -1.26 -5.05 107.32 112.07 2kco s GLY 18 Ca 0.02 0.58 -0.12 0.00 0.00 0.00 0.00 44.72 45.21 2kco s GLY 18 CO -0.09 0.92 1.12 0.54 0.00 0.00 0.00 173.10 175.59 2kco s LYS 19 N -3.79 2.03 0.21 2.90 1.02 -1.26 -5.01 119.74 115.83 2kco s LYS 19 Ca 0.68 0.45 -0.30 0.00 0.02 0.00 0.00 55.97 56.82 2kco s LYS 19 Cb -0.20 -1.93 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 2kco s LYS 19 CO 0.34 -1.62 1.22 -1.01 -0.92 0.00 0.00 175.35 173.36 2kco s HIS 20 N -3.28 3.38 -1.20 3.18 3.76 -1.26 -4.96 115.29 114.91 2kco s HIS 20 Ca 0.61 1.41 -0.18 0.00 -0.15 0.00 0.00 55.06 56.75 2kco s HIS 20 Cb -0.13 -3.47 0.10 0.00 1.11 0.00 0.00 32.58 30.19 2kco s HIS 20 CO 0.53 -1.34 1.55 1.03 -0.85 0.00 0.00 174.74 175.66 2kco s ARG 21 N -0.45 3.92 0.28 1.40 1.81 -1.26 -4.75 118.95 119.90 2kco s ARG 21 Ca 0.53 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.52 2kco s ARG 21 Cb -0.34 -5.32 0.00 0.00 -0.45 0.00 0.00 34.95 28.84 2kco s ARG 21 CO 0.39 -2.07 0.00 -0.25 -0.68 0.00 0.00 175.30 172.69 2kco n ASP 22 N 7.51 -6.66 -4.93 0.23 8.00 -1.26 -5.04 116.55 114.40 2kco n ASP 22 Ca 0.41 0.86 -0.25 0.00 0.71 0.00 0.00 54.79 56.52 2kco n ASP 22 Cb 0.46 -2.92 -0.02 0.00 -0.02 0.00 0.00 41.12 38.62 2kco n ASP 22 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kco s LYS 23 N -3.26 3.51 0.57 -1.24 -2.85 -1.26 -5.10 119.74 110.12 2kco s LYS 23 Ca 0.00 -0.29 -0.18 0.00 -1.00 0.00 0.00 55.97 54.51 2kco s LYS 23 Cb 0.00 -2.68 -0.04 0.00 -2.06 0.00 0.00 37.83 33.05 2kco s LYS 23 CO 0.00 0.18 1.10 1.03 0.10 0.00 0.00 175.35 177.77 2kco s ARG 24 N -4.11 3.25 -0.29 1.78 0.52 -1.26 -5.01 118.95 113.83 2kco s ARG 24 Ca 0.40 1.48 -0.23 0.00 -0.52 0.00 0.00 55.73 56.86 2kco s ARG 24 Cb -0.10 -2.00 -0.00 0.00 0.52 0.00 0.00 34.95 33.36 2kco s ARG 24 CO 0.35 -0.90 0.75 0.15 0.02 0.00 0.00 175.30 175.66 2kco s LYS 25 N -3.59 4.01 0.49 3.54 3.01 -1.26 -5.04 119.74 120.90 2kco s LYS 25 Ca 0.69 0.59 -0.21 0.00 -1.01 0.00 0.00 55.97 56.03 2kco s LYS 25 Cb -0.21 -3.70 -0.07 0.00 -1.01 0.00 0.00 37.83 32.83 2kco s LYS 25 CO 0.31 -0.60 1.11 1.52 0.51 0.00 0.00 175.35 178.20 2kco s TYR 26 N 2.82 2.87 0.56 3.18 1.13 -1.26 -5.02 117.35 121.64 2kco s TYR 26 Ca 0.31 1.56 -0.19 0.00 -1.41 0.00 0.00 57.07 57.34 2kco s TYR 26 Cb -0.15 -3.24 -0.05 0.00 -1.10 0.00 0.00 41.96 37.43 2kco s TYR 26 CO 0.11 -1.26 1.13 -1.21 -2.51 0.00 0.00 175.55 171.81 2kco s GLU 27 N -3.03 3.25 -0.99 -3.49 8.01 -1.26 -4.92 118.70 116.26 2kco s GLU 27 Ca 0.67 1.59 -0.23 0.00 0.01 0.00 0.00 54.97 57.01 2kco s GLU 27 Cb -0.23 -1.99 -0.00 0.00 -4.31 0.00 0.00 34.13 27.59 2kco s GLU 27 CO 0.27 -0.93 1.74 0.42 0.01 0.00 0.00 175.26 176.77 2kco s ILE 28 N -1.84 3.68 -1.68 -1.63 1.01 -1.26 -4.73 121.20 114.75 2kco s ILE 28 Ca 0.72 -0.65 0.25 0.00 0.00 0.00 0.00 60.65 60.97 2kco s ILE 28 Cb -0.24 -4.53 0.14 0.00 0.01 0.00 0.00 42.46 37.84 2kco s ILE 28 CO 0.29 -1.41 1.39 0.61 0.00 0.00 0.00 174.94 175.83 2kco n GLY 29 N 6.71 -0.56 3.59 6.18 0.00 -1.26 -4.83 105.19 115.02 2kco n GLY 29 Ca 0.38 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.59 6.58 -0.23 1.61 0.02 -1.26 -5.05 114.94 114.02 2kco s ASN 30 Ca 0.20 0.41 -0.29 0.00 -1.02 0.00 0.00 52.86 52.17 2kco s ASN 30 Cb 0.19 -2.41 0.01 0.00 0.02 0.00 0.00 41.25 39.06 2kco s ASN 30 CO 0.58 -0.73 1.02 -2.16 0.02 0.00 0.00 177.10 175.82 2kco s PRO 31 N 3.13 4.26 0.04 -0.60 0.04 -1.26 -5.03 135.00 135.57 2kco s PRO 31 Ca 0.32 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 2kco s PRO 31 Cb -0.13 -3.64 -0.06 0.00 0.04 0.00 0.00 34.50 30.72 2kco s PRO 31 CO 0.17 -0.61 1.27 -2.14 0.04 0.00 0.00 177.00 175.72 2kco s PRO 32 N 3.13 4.37 0.54 0.56 0.02 -1.26 -5.04 135.00 137.32 2kco s PRO 32 Ca 0.43 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 2kco s PRO 32 Cb -0.15 -3.41 -0.07 0.00 0.02 0.00 0.00 34.50 30.90 2kco s PRO 32 CO 0.06 -0.38 1.01 -0.08 -0.33 0.00 0.00 177.00 177.29 2kco s THR 33 N 1.51 4.35 0.51 0.99 -1.32 -1.26 -5.05 115.64 115.38 2kco s THR 33 Ca 0.60 1.11 -0.20 0.00 -1.21 0.00 0.00 61.69 61.99 2kco s THR 33 Cb -0.30 -3.64 -0.07 0.00 -1.51 0.00 0.00 72.50 66.98 2kco s THR 33 CO 0.28 -0.66 1.13 -0.36 -2.21 0.00 0.00 174.62 172.79 2kco s PHE 34 N -2.61 2.77 0.64 9.09 0.08 -1.26 -5.03 117.98 121.66 2kco s PHE 34 Ca 0.60 1.55 -0.13 0.00 0.12 0.00 0.00 56.93 59.07 2kco s PHE 34 Cb -0.12 -3.28 -0.02 0.00 -0.57 0.00 0.00 43.02 39.04 2kco s PHE 34 CO 0.34 -1.46 1.05 0.95 -0.10 0.00 0.00 175.22 176.00 2kco s THR 35 N -1.74 4.00 0.17 0.64 -4.23 -1.26 -5.04 115.64 108.19 2kco s THR 35 Ca 0.70 0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 61.69 2kco s THR 35 Cb -0.24 -3.43 -0.07 0.00 1.34 0.00 0.00 72.50 70.09 2kco s THR 35 CO 0.28 -0.72 0.98 -0.89 -0.54 0.00 0.00 174.62 173.72 2kco s THR 36 N -2.80 4.22 0.39 3.99 2.01 -1.26 -5.07 115.64 117.11 2kco s THR 36 Ca 0.60 2.00 0.03 0.00 0.31 0.00 0.00 61.69 64.63 2kco s THR 36 Cb -0.14 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 2kco s THR 36 CO 0.46 0.38 0.11 0.00 -0.69 0.00 0.00 174.62 174.89 2kco n LEU 37 N 2.18 0.00 -2.06 4.42 -0.00 -1.26 -5.09 117.00 115.20 2kco n LEU 37 Ca 0.01 -2.84 -0.11 0.00 -0.00 0.00 0.00 56.01 53.07 2kco n LEU 37 Cb 0.48 0.83 0.05 0.00 -0.00 0.00 0.00 43.42 44.78 2kco n LEU 37 CO 0.51 -0.43 0.13 -1.20 -0.00 0.00 0.00 177.39 176.40 2kco n SER 38 N -1.52 3.17 0.28 1.45 7.64 -1.26 -4.79 113.62 118.59 2kco n SER 38 Ca -0.08 -3.09 0.16 0.00 1.01 0.00 0.00 58.87 56.87 2kco n SER 38 Cb 0.56 -0.40 0.81 0.00 -1.01 0.00 0.00 64.21 64.16 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kco h ALA 39 N 2.07 1.13 -0.44 -0.43 0.00 -2.00 -2.06 119.26 117.52 2kco h ALA 39 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2kco h ALA 39 Cb 1.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2kco h ALA 39 CO 0.43 0.09 0.02 0.93 0.00 0.00 0.00 179.25 180.72 2kco h GLU 40 N 0.00 0.71 0.00 0.00 3.07 -1.99 -1.36 114.58 115.02 2kco h GLU 40 Ca -0.00 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.59 2kco h GLU 40 Cb 0.34 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2kco h GLU 40 CO 0.01 0.71 -0.45 0.22 -1.40 0.00 0.00 179.01 178.10 2kco h ASP 41 N 0.67 0.00 0.18 1.42 3.58 -1.76 -0.97 116.42 119.55 2kco h ASP 41 Ca 0.14 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.36 2kco h ASP 41 Cb 0.39 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.45 2kco h ASP 41 CO 0.01 0.45 -0.92 0.40 -2.88 0.00 0.00 179.24 176.30 2kco h ILE 42 N 0.00 1.35 -0.03 2.25 2.04 -1.41 -2.31 117.51 119.40 2kco h ILE 42 Ca -0.00 -2.30 -0.15 0.00 1.00 0.00 0.00 64.86 63.41 2kco h ILE 42 Cb 0.82 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 2kco h ILE 42 CO 0.06 0.70 -0.67 0.03 0.00 0.00 0.00 178.15 178.27 2kco h ARG 43 N 0.32 0.12 0.01 2.37 2.47 -1.06 -1.32 114.38 117.29 2kco h ARG 43 Ca -0.08 -0.09 -0.20 0.00 -1.26 0.00 0.00 59.98 58.34 2kco h ARG 43 Cb 1.55 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.88 2kco h ARG 43 CO 0.17 0.74 -0.92 0.97 0.56 0.00 0.00 179.97 181.49 2kco h ILE 44 N 0.08 1.53 0.00 2.04 6.09 -1.23 0.36 117.51 126.38 2kco h ILE 44 Ca -0.01 -2.76 -0.05 0.00 -1.37 0.00 0.00 64.86 60.67 2kco h ILE 44 Cb 1.19 2.55 -0.01 0.00 0.47 0.00 0.00 36.82 41.02 2kco h ILE 44 CO 0.09 0.80 -0.24 0.50 -3.07 0.00 0.00 178.15 176.24 2kco h LYS 45 N 0.08 0.00 0.12 2.19 1.63 -1.30 -2.66 116.57 116.63 2kco h LYS 45 Ca -0.05 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.47 2kco h LYS 45 Cb 1.57 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.19 2kco h LYS 45 CO 0.14 0.24 -1.39 0.22 -3.45 0.00 0.00 179.45 175.21 2kco h ASP 46 N 0.00 0.39 -0.44 4.20 3.58 -0.97 -3.38 116.42 119.80 2kco h ASP 46 Ca -0.00 -0.48 -0.08 0.00 0.42 0.00 0.00 57.03 56.89 2kco h ASP 46 Cb 0.62 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 2kco h ASP 46 CO 0.03 1.39 -0.01 0.08 -2.88 0.00 0.00 179.24 177.85 2kco h ARG 47 N 0.07 0.85 0.00 0.28 -0.00 -0.58 -2.63 114.38 112.37 2kco h ARG 47 Ca -0.19 -0.24 -0.00 0.00 -0.00 0.00 0.00 59.98 59.55 2kco h ARG 47 Cb 1.99 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.97 31.87 2kco h ARG 47 CO 0.18 0.86 -0.00 0.00 -0.00 0.00 0.00 179.97 181.01 2kco h THR 48 N 0.79 0.01 -0.81 0.08 1.03 -1.69 -3.33 112.91 108.98 2kco h THR 48 Ca 0.15 -0.10 -0.50 0.00 -0.01 0.00 0.00 66.41 65.95 2kco h THR 48 Cb 0.48 1.10 -0.07 0.00 -1.07 0.00 0.00 68.15 68.59 2kco h THR 48 CO 0.02 0.00 1.46 -0.76 -0.01 0.00 0.00 175.52 176.23 2kco s LEU 49 N -6.17 3.43 0.00 0.00 1.02 -0.99 -4.32 118.68 111.65 2kco s LEU 49 Ca -0.04 -1.64 0.00 0.00 0.02 0.00 0.00 54.13 52.47 2kco s LEU 49 Cb 0.12 -2.58 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2kco s LEU 49 CO 0.44 -2.02 0.00 0.61 0.02 0.00 0.00 176.35 175.40 2kco n GLY 50 N 6.20 -1.41 0.30 -3.19 0.00 -1.25 -5.08 105.19 100.75 2kco n GLY 50 Ca 0.42 0.55 0.05 0.00 0.00 0.00 0.00 46.02 47.04 2kco n GLY 50 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kco h GLY 51 N 0.00 0.43 -6.13 -0.02 0.00 -1.91 -3.40 103.07 92.05 2kco h GLY 51 Ca 0.00 -0.16 -0.60 0.00 0.00 0.00 0.00 47.33 46.56 2kco h GLY 51 CO 0.00 0.16 -0.84 0.21 0.00 0.00 0.00 176.54 176.07 2kco s ASN 52 N -6.77 2.64 0.12 0.19 3.84 -1.26 -5.13 114.94 108.57 2kco s ASN 52 Ca -0.07 -0.48 0.05 0.00 0.21 0.00 0.00 52.86 52.57 2kco s ASN 52 Cb 0.17 -1.18 -0.04 0.00 -0.55 0.00 0.00 41.25 39.66 2kco s ASN 52 CO 0.72 -0.01 0.03 0.72 -2.79 0.00 0.00 177.10 175.77 2kco s PHE 53 N 1.22 3.01 -0.99 0.43 -0.71 -1.26 -5.06 117.98 114.61 2kco s PHE 53 Ca -0.01 -0.03 -0.23 0.00 -1.04 0.00 0.00 56.93 55.61 2kco s PHE 53 Cb -0.14 -1.51 -0.00 0.00 -1.21 0.00 0.00 43.02 40.16 2kco s PHE 53 CO -0.06 0.50 1.73 -1.59 -1.34 0.00 0.00 175.22 174.46 2kco s LYS 54 N -2.58 3.05 -0.13 1.99 -2.85 -1.26 -4.97 119.74 112.99 2kco s LYS 54 Ca 0.27 -0.79 -0.24 0.00 -1.00 0.00 0.00 55.97 54.21 2kco s LYS 54 Cb -0.11 -5.22 -0.03 0.00 -2.06 0.00 0.00 37.83 30.41 2kco s LYS 54 CO 0.20 -2.89 0.75 0.54 0.10 0.00 0.00 175.35 174.05 2kco s VAL 55 N 7.75 4.97 0.05 1.79 0.11 -1.26 -5.06 120.40 128.76 2kco s VAL 55 Ca 0.59 1.49 -0.29 0.00 -2.93 0.00 0.00 61.98 60.85 2kco s VAL 55 Cb -0.03 -4.07 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 2kco s VAL 55 CO -0.03 0.14 0.91 -0.13 -3.33 0.00 0.00 175.10 172.66 2kco s ARG 56 N 1.53 4.60 0.47 1.54 0.52 -1.26 -5.06 118.95 121.29 2kco s ARG 56 Ca 0.37 1.33 -0.21 0.00 -0.52 0.00 0.00 55.73 56.70 2kco s ARG 56 Cb -0.17 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 31.80 2kco s ARG 56 CO 0.15 0.14 1.01 -0.51 0.02 0.00 0.00 175.30 176.11 2kco s LEU 57 N 0.35 3.88 0.44 2.53 2.01 -1.26 -5.09 118.68 121.54 2kco s LEU 57 Ca 0.46 1.86 0.08 0.00 0.01 0.00 0.00 54.13 56.55 2kco s LEU 57 Cb -0.22 -4.54 0.02 0.00 0.01 0.00 0.00 46.19 41.46 2kco s LEU 57 CO 0.27 -0.65 0.58 -0.54 1.01 0.00 0.00 176.35 177.02 2kco s LYS 58 N -3.19 2.73 -0.61 1.70 -0.14 -1.26 -5.02 119.74 113.94 2kco s LYS 58 Ca 0.66 -1.33 -0.26 0.00 -1.36 0.00 0.00 55.97 53.68 2kco s LYS 58 Cb -0.14 -2.71 -0.05 0.00 -1.68 0.00 0.00 37.83 33.25 2kco s LYS 58 CO 0.18 -0.35 2.11 0.71 -0.76 0.00 0.00 175.35 177.25 2kco s TYR 59 N -2.41 1.42 0.18 3.18 2.02 -1.26 -4.94 117.35 115.54 2kco s TYR 59 Ca 0.55 1.15 -0.31 0.00 -0.37 0.00 0.00 57.07 58.10 2kco s TYR 59 Cb -0.09 -3.85 -0.10 0.00 -0.40 0.00 0.00 41.96 37.53 2kco s TYR 59 CO 0.33 -2.28 1.49 -0.08 -1.57 0.00 0.00 175.55 173.44 2kco s THR 60 N 10.78 2.77 -0.74 -0.71 -1.32 -1.26 -4.89 115.64 120.27 2kco s THR 60 Ca 0.81 0.58 -0.26 0.00 -1.21 0.00 0.00 61.69 61.61 2kco s THR 60 Cb -0.14 -3.37 -0.05 0.00 -1.51 0.00 0.00 72.50 67.43 2kco s THR 60 CO 0.20 0.06 2.01 -0.89 -2.21 0.00 0.00 174.62 173.79 2kco s THR 61 N 0.74 3.32 0.08 5.08 2.01 -1.26 -4.51 115.64 121.10 2kco s THR 61 Ca 0.65 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.62 2kco s THR 61 Cb -0.42 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2kco s THR 61 CO 0.35 -0.75 -0.12 -0.89 -0.69 0.00 0.00 174.62 172.53 2kco s THR 62 N 10.40 0.96 -0.08 -0.82 2.01 -1.22 -2.91 115.64 123.99 2kco s THR 62 Ca 0.74 -1.39 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2kco s THR 62 Cb -0.11 -1.09 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 2kco s THR 62 CO 0.11 -0.37 -0.19 0.00 -0.69 0.00 0.00 174.62 173.48 2kco s ALA 63 N -1.69 2.41 -0.71 7.40 0.00 -0.07 -1.31 121.76 127.80 2kco s ALA 63 Ca -0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 2kco s ALA 63 Cb -0.08 -0.90 0.18 0.00 0.00 0.00 0.00 23.12 22.33 2kco s ALA 63 CO 0.01 0.40 0.63 1.21 0.00 0.00 0.00 175.76 178.01 2kco s ASN 64 N -0.14 6.34 0.28 0.00 3.04 -0.35 -1.12 114.94 122.98 2kco s ASN 64 Ca -0.03 -2.44 -0.27 0.00 0.04 0.00 0.00 52.86 50.16 2kco s ASN 64 Cb -0.14 -2.15 -0.09 0.00 -1.54 0.00 0.00 41.25 37.33 2kco s ASN 64 CO 0.04 -0.62 0.92 -0.69 -3.04 0.00 0.00 177.10 173.70 2kco s VAL 65 N 0.56 4.20 -0.11 -5.21 1.01 0.55 -0.70 120.40 120.70 2kco s VAL 65 Ca 0.13 1.87 -0.12 0.00 0.00 0.00 0.00 61.98 63.87 2kco s VAL 65 Cb -0.17 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2kco s VAL 65 CO -0.05 0.29 0.26 -0.22 0.00 0.00 0.00 175.10 175.38 2kco s LEU 66 N -1.70 4.35 -0.36 3.92 1.98 -0.48 0.29 118.68 126.68 2kco s LEU 66 Ca 0.46 0.59 -0.21 0.00 -2.89 0.00 0.00 54.13 52.08 2kco s LEU 66 Cb -0.21 -2.31 0.00 0.00 0.66 0.00 0.00 46.19 44.33 2kco s LEU 66 CO 0.26 0.26 0.65 -1.81 -1.89 0.00 0.00 176.35 173.83 2kco s ASP 67 N -0.41 6.44 0.65 3.68 1.11 -0.81 -2.90 116.67 124.42 2kco s ASP 67 Ca 0.17 0.15 0.42 0.00 0.18 0.00 0.00 52.55 53.48 2kco s ASP 67 Cb -0.13 -2.33 2.27 0.00 1.07 0.00 0.00 42.92 43.80 2kco s ASP 67 CO 0.06 -0.61 2.33 1.55 1.18 0.00 0.00 175.17 179.67 2kco h PRO 68 N 8.47 0.00 0.04 8.23 0.13 -1.89 0.15 132.00 147.12 2kco h PRO 68 Ca -0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2kco h PRO 68 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kco h PRO 68 CO 0.84 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.60 2kco h ALA 69 N 2.00 -0.05 0.00 -0.56 0.00 -1.93 -3.39 119.26 115.33 2kco h ALA 69 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kco h ALA 69 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kco h ALA 69 CO 0.00 -0.12 -0.81 0.25 0.00 0.00 0.00 179.25 178.57 2kco n THR 70 N -4.75 0.00 -1.95 0.00 -2.24 -1.21 -4.99 114.28 99.15 2kco n THR 70 Ca -0.08 -0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 2kco n THR 70 Cb 0.34 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 2kco n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2kco n ASN 71 N -1.41 -5.19 -4.09 3.42 2.85 0.51 -5.00 115.26 106.35 2kco n ASN 71 Ca 0.03 0.20 -0.22 0.00 -0.11 0.00 0.00 54.58 54.48 2kco n ASN 71 Cb 0.27 -4.27 -0.15 0.00 1.24 0.00 0.00 39.78 36.87 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 -2.78 1.06 0.18 -0.44 -4.23 -1.24 -4.89 115.64 103.31 2kco s THR 72 Ca 0.00 -0.56 -0.18 0.00 -1.18 0.00 0.00 61.69 59.77 2kco s THR 72 Cb 0.00 -0.90 -0.08 0.00 1.34 0.00 0.00 72.50 72.87 2kco s THR 72 CO 0.00 0.31 0.66 0.00 -0.54 0.00 0.00 174.62 175.04 2kco s ALA 73 N -0.20 3.48 0.12 3.99 0.00 -1.26 -1.92 121.76 125.97 2kco s ALA 73 Ca 0.03 0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.17 2kco s ALA 73 Cb -0.06 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2kco s ALA 73 CO -0.00 0.37 -0.25 -1.59 0.00 0.00 0.00 175.76 174.30 2kco s LYS 74 N -1.83 1.55 -0.33 0.00 -2.85 0.14 -4.95 119.74 111.48 2kco s LYS 74 Ca 0.39 -1.27 -0.00 0.00 -1.00 0.00 0.00 55.97 54.09 2kco s LYS 74 Cb -0.17 -1.97 0.08 0.00 -2.06 0.00 0.00 37.83 33.71 2kco s LYS 74 CO 0.20 0.47 0.06 0.21 0.10 0.00 0.00 175.35 176.39 2kco s LYS 75 N -1.98 2.09 0.08 1.78 2.20 -1.26 -0.33 119.74 122.32 2kco s LYS 75 Ca 0.15 -1.56 0.06 0.00 -0.36 0.00 0.00 55.97 54.26 2kco s LYS 75 Cb -0.10 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2kco s LYS 75 CO 0.07 -0.81 -0.16 0.14 -0.36 0.00 0.00 175.35 174.23 2kco s VAL 76 N 1.13 1.24 0.64 4.02 -7.23 -0.28 -4.95 120.40 114.97 2kco s VAL 76 Ca 0.01 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.66 2kco s VAL 76 Cb -0.20 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 2kco s VAL 76 CO -0.04 -0.19 1.18 -0.75 -0.31 0.00 0.00 175.10 175.00 2kco s LYS 77 N -1.76 2.73 -0.07 4.82 2.20 -1.26 -0.89 119.74 125.51 2kco s LYS 77 Ca -0.00 1.71 -0.19 0.00 -0.36 0.00 0.00 55.97 57.13 2kco s LYS 77 Cb -0.10 -1.91 -0.05 0.00 -1.51 0.00 0.00 37.83 34.26 2kco s LYS 77 CO 0.03 -1.37 0.53 0.42 -0.36 0.00 0.00 175.35 174.60 2kco s ILE 78 N -1.85 5.08 0.00 5.43 1.01 -1.15 -3.03 121.20 126.70 2kco s ILE 78 Ca 0.74 1.08 0.00 0.00 0.00 0.00 0.00 60.65 62.47 2kco s ILE 78 Cb -0.28 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2kco s ILE 78 CO 0.38 0.36 0.00 0.18 0.00 0.00 0.00 174.94 175.86 2kco n LEU 79 N 3.28 0.06 -3.88 2.97 4.32 -0.47 -5.00 117.00 118.28 2kco n LEU 79 Ca -0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.81 2kco n LEU 79 Cb 0.51 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.21 2kco n LEU 79 CO 0.43 0.00 -0.19 -1.83 -1.22 0.00 0.00 177.39 174.58 2kco s GLU 80 N 0.00 0.45 -0.28 3.23 -1.05 -1.19 -4.96 118.70 114.90 2kco s GLU 80 Ca 0.00 -0.40 -0.23 0.00 -0.15 0.00 0.00 54.97 54.19 2kco s GLU 80 Cb 0.00 0.19 -0.00 0.00 -0.44 0.00 0.00 34.13 33.87 2kco s GLU 80 CO 0.00 -0.10 0.77 0.96 0.95 0.00 0.00 175.26 177.83 2kco s ILE 81 N -1.34 4.84 -0.02 1.83 -0.00 -1.26 -0.33 121.20 124.92 2kco s ILE 81 Ca -0.14 1.27 -0.04 0.00 -0.00 0.00 0.00 60.65 61.73 2kco s ILE 81 Cb -0.08 -4.10 -0.02 0.00 -0.00 0.00 0.00 42.46 38.26 2kco s ILE 81 CO 0.01 -0.16 0.35 -0.07 -0.00 0.00 0.00 174.94 175.08 2kco h LEU 82 N 9.29 -0.13 -8.56 0.37 -0.00 -1.77 -3.41 115.31 111.10 2kco h LEU 82 Ca -0.24 0.00 -0.59 0.00 -0.00 0.00 0.00 57.88 57.05 2kco h LEU 82 Cb 1.10 0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 41.69 2kco h LEU 82 CO 0.86 0.05 0.70 -0.70 -0.00 0.00 0.00 178.44 179.35 2kco s GLU 83 N -2.07 3.43 -0.12 1.13 2.12 -1.26 -5.02 118.70 116.92 2kco s GLU 83 Ca -0.02 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 2kco s GLU 83 Cb 0.00 -4.01 -0.02 0.00 0.26 0.00 0.00 34.13 30.36 2kco s GLU 83 CO 0.07 -1.49 1.21 0.99 -0.54 0.00 0.00 175.26 175.49 2kco s THR 84 N 4.23 4.32 0.95 -1.70 2.01 -1.26 -3.29 115.64 120.89 2kco s THR 84 Ca 0.36 1.62 -0.12 0.00 0.31 0.00 0.00 61.69 63.85 2kco s THR 84 Cb -0.10 -4.04 0.16 0.00 0.01 0.00 0.00 72.50 68.53 2kco s THR 84 CO 0.23 -0.07 1.10 -2.16 -0.69 0.00 0.00 174.62 173.02 2kco s PRO 85 N 2.83 0.83 0.31 4.92 0.04 -1.26 -4.95 135.00 137.71 2kco s PRO 85 Ca 0.54 0.60 0.08 0.00 0.04 0.00 0.00 61.00 62.26 2kco s PRO 85 Cb -0.22 -1.78 0.82 0.00 0.04 0.00 0.00 34.50 33.35 2kco s PRO 85 CO 0.18 -2.48 1.75 0.00 0.04 0.00 0.00 177.00 176.49 2kco h ALA 86 N -1.71 1.73 -0.26 8.56 0.00 -1.99 -2.80 119.26 122.79 2kco h ALA 86 Ca -0.52 0.10 -0.71 0.00 0.00 0.00 0.00 54.91 53.79 2kco h ALA 86 Cb 1.31 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2kco h ALA 86 CO 0.57 -0.16 3.15 0.27 0.00 0.00 0.00 179.25 183.08 2kco n ASN 87 N -4.83 7.19 -0.15 0.00 6.94 -1.26 -4.77 115.26 118.38 2kco n ASN 87 Ca 0.25 -2.83 -0.03 0.00 -0.02 0.00 0.00 54.58 51.96 2kco n ASN 87 Cb 0.66 -1.52 0.05 0.00 -2.36 0.00 0.00 39.78 36.62 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 5.19 0.17 0.00 -3.83 -0.00 -1.87 -1.82 116.57 114.41 2kco h LYS 88 Ca 0.72 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.65 61.33 2kco h LYS 88 Cb 0.40 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 32.59 2kco h LYS 88 CO 1.72 0.11 -0.11 1.05 -0.00 0.00 0.00 179.45 182.22 2kco h GLU 89 N 0.17 0.00 0.01 0.07 9.09 -1.91 -1.01 114.58 121.00 2kco h GLU 89 Ca 0.24 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.43 2kco h GLU 89 Cb 0.33 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.40 2kco h GLU 89 CO -0.35 0.11 -1.19 -0.07 0.05 0.00 0.00 179.01 177.56 2kco h LEU 90 N 0.00 0.02 -2.07 3.06 3.38 -1.77 -3.37 115.31 114.56 2kco h LEU 90 Ca -0.00 -0.57 0.10 0.00 0.09 0.00 0.00 57.88 57.50 2kco h LEU 90 Cb 0.36 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kco h LEU 90 CO 0.01 1.47 0.29 0.00 0.09 0.00 0.00 178.44 180.30 2kco h ALA 91 N -0.43 2.17 0.00 1.53 0.00 -0.55 -0.34 119.26 121.64 2kco h ALA 91 Ca -0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2kco h ALA 91 Cb 1.32 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2kco h ALA 91 CO -0.18 -0.46 -0.35 0.07 0.00 0.00 0.00 179.25 178.32 2kco h ARG 92 N 0.00 0.00 0.00 0.00 0.11 -1.35 -1.95 114.38 111.19 2kco h ARG 92 Ca 0.16 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.06 2kco h ARG 92 Cb 0.73 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.79 2kco h ARG 92 CO -0.00 0.35 -0.99 0.00 0.10 0.00 0.00 179.97 179.43 2kco h ARG 93 N 0.00 0.00 0.00 0.08 3.08 -1.31 -3.48 114.38 112.75 2kco h ARG 93 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kco h ARG 93 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2kco h ARG 93 CO 0.05 0.68 0.00 0.41 -1.07 0.00 0.00 179.97 180.03 2kco n GLY 94 N 1.34 1.08 3.46 0.04 0.00 -0.73 -4.97 105.19 105.42 2kco n GLY 94 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 4.87 0.03 -0.61 -1.09 -0.29 -4.90 121.20 117.22 2kco s ILE 95 Ca 0.00 -2.16 -0.01 0.00 -2.23 0.00 0.00 60.65 56.26 2kco s ILE 95 Cb 0.00 -4.86 -0.04 0.00 -1.58 0.00 0.00 42.46 35.98 2kco s ILE 95 CO 0.00 -1.59 0.17 -0.63 -1.23 0.00 0.00 174.94 171.67 2kco s ILE 96 N 2.14 5.24 0.04 2.92 1.01 -1.26 -1.83 121.20 129.46 2kco s ILE 96 Ca 0.39 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 2kco s ILE 96 Cb -0.03 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 2kco s ILE 96 CO -0.04 0.23 0.38 -0.51 0.00 0.00 0.00 174.94 174.99 2kco s ILE 97 N -1.40 5.12 -0.15 2.92 2.07 -1.26 -4.29 121.20 124.21 2kco s ILE 97 Ca 0.30 0.50 -0.35 0.00 -1.41 0.00 0.00 60.65 59.69 2kco s ILE 97 Cb -0.13 -3.64 -0.12 0.00 0.13 0.00 0.00 42.46 38.70 2kco s ILE 97 CO 0.23 0.38 1.88 -1.14 -1.91 0.00 0.00 174.94 174.37 2kco n ARG 98 N 1.19 1.92 0.00 3.50 0.63 -1.26 -2.30 116.66 120.33 2kco n ARG 98 Ca -0.10 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 2kco n ARG 98 Cb 0.52 -2.54 0.00 0.00 0.45 0.00 0.00 32.46 30.90 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 4.49 1.20 3.90 5.14 0.00 -0.06 -5.01 105.19 114.86 2kco n GLY 99 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 3.86 0.08 4.61 0.00 -0.97 -4.89 121.76 122.44 2kco s ALA 100 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 2kco s ALA 100 Cb 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 2kco s ALA 100 CO 0.00 0.71 0.69 0.15 0.00 0.00 0.00 175.76 177.30 2kco s LYS 101 N -2.47 4.41 0.12 0.00 3.01 -1.21 -1.52 119.74 122.09 2kco s LYS 101 Ca 0.37 0.94 0.05 0.00 -1.01 0.00 0.00 55.97 56.32 2kco s LYS 101 Cb -0.13 -3.30 -0.04 0.00 -1.01 0.00 0.00 37.83 33.36 2kco s LYS 101 CO 0.24 0.47 -0.11 -1.50 0.51 0.00 0.00 175.35 174.96 2kco s ILE 102 N -0.67 1.13 -0.13 2.17 2.07 -0.10 -2.26 121.20 123.42 2kco s ILE 102 Ca 0.34 -1.78 0.02 0.00 -1.41 0.00 0.00 60.65 57.83 2kco s ILE 102 Cb -0.21 -1.54 0.01 0.00 0.13 0.00 0.00 42.46 40.85 2kco s ILE 102 CO 0.22 -0.56 -0.21 -0.60 -1.91 0.00 0.00 174.94 171.88 2kco s ARG 103 N -3.00 2.86 0.45 3.50 3.00 0.55 -1.45 118.95 124.86 2kco s ARG 103 Ca 0.10 -0.80 0.03 0.00 -1.00 0.00 0.00 55.73 54.06 2kco s ARG 103 Cb -0.02 -2.32 0.03 0.00 0.00 0.00 0.00 34.95 32.65 2kco s ARG 103 CO 0.01 -0.01 0.29 0.25 0.00 0.00 0.00 175.30 175.84 2kco n THR 104 N 4.07 0.00 -0.36 4.11 -2.24 -0.63 -1.36 114.28 117.86 2kco n THR 104 Ca -0.20 -1.86 0.06 0.00 -2.27 0.00 0.00 64.05 59.78 2kco n THR 104 Cb 0.52 -0.02 0.22 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.99 0.00 -0.78 4.39 -1.84 -3.33 114.58 114.02 2kco h GLU 105 Ca -0.30 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2kco h GLU 105 Cb 1.07 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2kco h GLU 105 CO 0.48 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 178.98 2kco n ALA 106 N -2.35 -0.02 -3.00 3.43 0.00 -1.26 -5.08 120.51 112.23 2kco n ALA 106 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2kco n ALA 106 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2kco n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kco n GLY 107 N 1.92 4.05 3.76 0.00 0.00 -1.25 -5.14 105.19 108.52 2kco n GLY 107 Ca 0.00 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 4.51 0.12 0.99 2.96 -1.26 -1.61 118.68 124.38 2kco s LEU 108 Ca 0.00 2.33 -0.01 0.00 -0.22 0.00 0.00 54.13 56.23 2kco s LEU 108 Cb 0.00 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2kco s LEU 108 CO 0.00 -0.25 0.03 0.00 -1.32 0.00 0.00 176.35 174.81 2kco s ALA 109 N -0.92 0.84 -0.15 5.97 0.00 -0.53 -0.84 121.76 126.14 2kco s ALA 109 Ca 0.47 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 2kco s ALA 109 Cb -0.33 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2kco s ALA 109 CO 0.42 -0.44 -0.08 0.54 0.00 0.00 0.00 175.76 176.20 2kco s VAL 110 N -3.97 3.49 -0.04 0.00 0.11 0.04 -0.92 120.40 119.11 2kco s VAL 110 Ca 0.20 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.45 2kco s VAL 110 Cb 0.07 -2.50 -0.06 0.00 -1.53 0.00 0.00 36.38 32.36 2kco s VAL 110 CO -0.01 0.51 1.58 0.68 -3.33 0.00 0.00 175.10 174.53 2kco s VAL 111 N 0.39 3.58 -0.34 2.04 -7.23 -0.57 -0.76 120.40 117.50 2kco s VAL 111 Ca -0.07 0.80 0.12 0.00 -1.81 0.00 0.00 61.98 61.02 2kco s VAL 111 Cb -0.15 -3.52 0.30 0.00 0.56 0.00 0.00 36.38 33.57 2kco s VAL 111 CO 0.04 -0.05 1.22 0.35 -0.31 0.00 0.00 175.10 176.36 2kco n THR 112 N 5.22 1.55 -3.75 5.32 -2.24 0.01 -0.88 114.28 119.51 2kco n THR 112 Ca 0.16 -1.51 -0.09 0.00 -2.27 0.00 0.00 64.05 60.34 2kco n THR 112 Cb 0.43 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.65 -0.29 0.05 3.42 0.15 -0.79 -4.94 113.70 109.65 2kco s SER 113 Ca 0.25 -0.49 -0.18 0.00 0.70 0.00 0.00 55.95 56.24 2kco s SER 113 Cb 0.19 0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 65.06 2kco s SER 113 CO 0.08 -1.13 0.51 -0.60 1.20 0.00 0.00 173.24 173.30 2kco s ARG 114 N -3.88 4.10 -0.44 5.44 3.52 -1.26 -4.35 118.95 122.08 2kco s ARG 114 Ca 0.10 0.63 -0.42 0.00 -0.13 0.00 0.00 55.73 55.90 2kco s ARG 114 Cb -0.02 -3.23 -0.17 0.00 -1.56 0.00 0.00 34.95 29.96 2kco s ARG 114 CO -0.01 0.65 2.01 -0.35 -0.81 0.00 0.00 175.30 176.80 2kco n PRO 115 N 1.77 0.38 -1.08 5.12 -0.04 -1.26 -4.74 135.00 135.15 2kco n PRO 115 Ca -0.12 0.12 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 2kco n PRO 115 Cb 0.51 -1.79 0.20 0.00 -0.04 0.00 0.00 33.50 32.38 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kco s GLY 116 N 5.49 1.56 0.54 0.55 0.00 -0.92 -4.91 107.32 109.63 2kco s GLY 116 Ca 1.12 -0.42 0.31 0.00 0.00 0.00 0.00 44.72 45.74 2kco s GLY 116 CO 0.65 0.25 2.04 1.46 0.00 0.00 0.00 173.10 177.50 2kco h GLN 117 N -2.10 0.00 0.00 2.90 7.50 -1.93 -1.59 115.11 119.90 2kco h GLN 117 Ca -0.55 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.60 2kco h GLN 117 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.86 2kco h GLN 117 CO 0.55 0.08 0.00 -0.40 -1.50 0.00 0.00 178.83 177.56 2kco n ASP 118 N -3.33 0.25 0.00 1.46 5.75 -1.26 -4.91 116.55 114.51 2kco n ASP 118 Ca -0.01 0.56 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 2kco n ASP 118 Cb 0.27 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kco n GLY 119 N 0.08 0.75 3.72 6.12 0.00 -0.60 -4.65 105.19 110.61 2kco n GLY 119 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.65 4.48 -0.28 1.61 1.01 -1.26 -3.38 120.40 119.93 2kco s VAL 120 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kco s VAL 120 Cb 0.00 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.51 2kco s VAL 120 CO 0.00 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 175.01 2kco s ILE 121 N -0.95 2.88 0.15 2.22 1.09 -0.43 -2.15 121.20 124.00 2kco s ILE 121 Ca 0.15 -1.33 -0.31 0.00 -1.10 0.00 0.00 60.65 58.06 2kco s ILE 121 Cb -0.11 -2.61 -0.09 0.00 -1.06 0.00 0.00 42.46 38.58 2kco s ILE 121 CO 0.04 -0.03 1.43 0.20 -0.10 0.00 0.00 174.94 176.49 2kco s ASN 122 N 1.25 6.75 0.30 3.58 -0.87 -1.26 -1.22 114.94 123.47 2kco s ASN 122 Ca -0.04 2.44 0.03 0.00 -1.57 0.00 0.00 52.86 53.72 2kco s ASN 122 Cb -0.19 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.25 38.39 2kco s ASN 122 CO -0.02 -0.69 0.06 0.00 -2.57 0.00 0.00 177.10 173.87 2kco s ALA 123 N 0.91 2.14 -0.06 0.60 0.00 0.12 -0.81 121.76 124.67 2kco s ALA 123 Ca 0.65 -1.98 0.03 0.00 0.00 0.00 0.00 51.96 50.66 2kco s ALA 123 Cb -0.39 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2kco s ALA 123 CO 0.32 -0.33 -0.15 0.08 0.00 0.00 0.00 175.76 175.68 2kco s VAL 124 N -3.41 1.31 0.27 0.00 1.01 0.06 -1.38 120.40 118.27 2kco s VAL 124 Ca 0.36 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2kco s VAL 124 Cb 0.08 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.19 2kco s VAL 124 CO 0.14 0.39 1.58 -0.76 0.00 0.00 0.00 175.10 176.45 2kco s LEU 125 N 0.33 4.35 -0.45 3.92 1.43 -1.14 -0.78 118.68 126.34 2kco s LEU 125 Ca -0.09 2.89 -0.02 0.00 -1.03 0.00 0.00 54.13 55.87 2kco s LEU 125 Cb -0.14 -3.63 0.20 0.00 0.03 0.00 0.00 46.19 42.65 2kco s LEU 125 CO 0.03 -0.88 2.30 0.18 0.23 0.00 0.00 176.35 178.21 2kco n LEU 126 N 2.43 6.70 -3.33 1.79 4.77 -0.02 -4.70 117.00 124.64 2kco n LEU 126 Ca 0.09 -3.80 -0.11 0.00 -0.03 0.00 0.00 56.01 52.15 2kco n LEU 126 Cb 0.38 -1.11 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 2kco n LEU 126 CO 0.63 1.48 -0.09 -1.59 -1.33 0.00 0.00 177.39 176.48 2kco s LYS 127 N -2.17 0.43 0.14 3.23 -2.85 -1.26 -4.88 119.74 112.37 2kco s LYS 127 Ca 0.47 -0.03 0.06 0.00 -1.00 0.00 0.00 55.97 55.47 2kco s LYS 127 Cb 0.34 -0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.67 2kco s LYS 127 CO -0.11 -1.06 -0.14 0.54 0.10 0.00 0.00 175.35 174.69 2kco s ASN 128 N 2.39 2.05 -1.11 0.03 2.20 -1.26 -4.67 114.94 114.57 2kco s ASN 128 Ca 0.10 -0.86 -0.04 0.00 -0.94 0.00 0.00 52.86 51.12 2kco s ASN 128 Cb -0.13 -0.07 -0.04 0.00 -2.00 0.00 0.00 41.25 39.01 2kco s ASN 128 CO -0.28 -0.17 0.94 -0.62 -2.94 0.00 0.00 177.10 174.03 2kco n GLU 129 N 0.32 -3.69 -2.28 3.55 1.02 -1.26 -4.92 120.64 113.38 2kco n GLU 129 Ca -0.14 0.84 -0.39 0.00 -0.02 0.00 0.00 57.16 57.46 2kco n GLU 129 Cb 0.58 -5.78 -0.03 0.00 -0.02 0.00 0.00 31.44 26.19 2kco n GLU 129 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kco s SER 130 N -3.73 5.69 0.13 1.62 1.04 -1.26 -4.97 113.70 112.21 2kco s SER 130 Ca 0.30 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2kco s SER 130 Cb -0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2kco s SER 130 CO 0.74 -2.14 0.00 0.00 0.98 0.00 0.00 173.24 172.83 2kco n GLN 131 N 9.24 1.69 -2.25 4.02 6.02 -1.26 -4.96 117.38 129.88 2kco n GLN 131 Ca 0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.81 2kco n GLN 131 Cb 0.50 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.72 2kco n GLN 131 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2kco s ARG 132 N 0.28 3.01 0.00 -1.09 3.52 -1.26 -5.25 118.95 118.15 2kco s ARG 132 Ca 0.00 -1.16 0.30 0.00 -0.13 0.00 0.00 55.73 54.75 2kco s ARG 132 Cb 0.00 -5.29 1.52 0.00 -1.56 0.00 0.00 34.95 29.62 2kco s ARG 132 CO 0.00 -3.20 2.01 -1.13 -0.81 0.00 0.00 175.30 172.17