#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 0.61 2.64 -5.12 0.00 -1.26 -5.00 105.19 97.06 2kco n GLY 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kco n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kco s PHE 3 N -2.24 1.28 -0.27 1.61 5.36 -1.26 -5.02 117.98 117.44 2kco s PHE 3 Ca 0.00 -1.65 0.26 0.00 -0.96 0.00 0.00 56.93 54.58 2kco s PHE 3 Cb 0.00 -1.43 1.16 0.00 -0.34 0.00 0.00 43.02 42.41 2kco s PHE 3 CO 0.00 -0.84 1.78 1.88 -1.46 0.00 0.00 175.22 176.58 2kco h TYR 4 N 7.74 0.00 0.00 10.12 -1.99 -2.06 -3.46 116.97 127.32 2kco h TYR 4 Ca -0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.63 2kco h TYR 4 Cb 0.99 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.72 2kco h TYR 4 CO 0.38 0.00 0.00 0.94 -0.00 0.00 0.00 178.16 179.48 2kco n GLN 5 N -2.42 0.00 -3.64 4.88 -0.06 -1.26 -4.85 117.38 110.02 2kco n GLN 5 Ca 0.01 0.00 -0.28 0.00 -2.00 0.00 0.00 57.00 54.73 2kco n GLN 5 Cb 0.19 -0.90 -0.11 0.00 -4.06 0.00 0.00 30.24 25.36 2kco n GLN 5 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2kco s GLY 6 N -0.84 2.05 0.00 1.69 0.00 -1.26 -4.96 107.32 104.01 2kco s GLY 6 Ca 0.00 -3.13 0.28 0.00 0.00 0.00 0.00 44.72 41.87 2kco s GLY 6 CO 0.00 1.61 1.81 -1.55 0.00 0.00 0.00 173.10 174.98 2kco n PRO 7 N 2.42 0.09 -4.61 2.90 -0.04 -1.26 -4.85 135.00 129.65 2kco n PRO 7 Ca 0.25 -0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 2kco n PRO 7 Cb 0.41 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 2kco n PRO 7 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kco s ASP 8 N -2.92 3.92 -0.14 3.54 1.11 -1.26 -5.14 116.67 115.78 2kco s ASP 8 Ca 0.16 -0.39 -0.13 0.00 0.18 0.00 0.00 52.55 52.37 2kco s ASP 8 Cb 0.19 -0.67 0.04 0.00 1.07 0.00 0.00 42.92 43.54 2kco s ASP 8 CO 0.56 0.25 0.38 0.21 1.18 0.00 0.00 175.17 177.75 2kco s ASN 9 N -1.48 -0.41 -0.10 0.27 2.47 -1.26 -5.17 114.94 109.27 2kco s ASN 9 Ca 0.15 0.77 -0.14 0.00 0.42 0.00 0.00 52.86 54.07 2kco s ASN 9 Cb -0.11 0.77 -0.05 0.00 -1.45 0.00 0.00 41.25 40.41 2kco s ASN 9 CO 0.06 -0.14 0.34 0.00 -3.72 0.00 0.00 177.10 173.64 2kco s ARG 10 N 0.34 4.06 0.41 0.43 1.70 -1.26 -5.10 118.95 119.53 2kco s ARG 10 Ca -0.01 0.23 -0.08 0.00 -0.47 0.00 0.00 55.73 55.40 2kco s ARG 10 Cb -0.03 -3.33 -0.05 0.00 -0.57 0.00 0.00 34.95 30.96 2kco s ARG 10 CO -0.01 0.44 0.74 0.15 -1.08 0.00 0.00 175.30 175.55 2kco s LYS 11 N -0.21 3.67 -0.15 3.89 -0.14 -1.26 -5.11 119.74 120.42 2kco s LYS 11 Ca 0.20 0.29 -0.06 0.00 -1.36 0.00 0.00 55.97 55.05 2kco s LYS 11 Cb -0.14 -2.43 0.07 0.00 -1.68 0.00 0.00 37.83 33.65 2kco s LYS 11 CO 0.08 -0.06 0.32 -1.50 -0.76 0.00 0.00 175.35 173.43 2kco s ILE 12 N -2.46 -0.45 -0.10 2.17 1.10 -1.26 -5.14 121.20 115.06 2kco s ILE 12 Ca 0.49 0.23 -0.04 0.00 -0.51 0.00 0.00 60.65 60.81 2kco s ILE 12 Cb -0.10 -0.52 0.05 0.00 0.15 0.00 0.00 42.46 42.04 2kco s ILE 12 CO 0.36 0.10 0.20 -0.89 -2.11 0.00 0.00 174.94 172.60 2kco s THR 13 N 2.37 -0.30 0.70 4.00 2.01 -1.26 -5.17 115.64 117.99 2kco s THR 13 Ca -0.01 0.31 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 2kco s THR 13 Cb -0.12 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.05 2kco s THR 13 CO -0.10 0.13 1.07 -0.83 -0.69 0.00 0.00 174.62 174.20 2kco s GLY 14 N 2.22 1.64 0.00 4.40 0.00 -1.26 -5.11 107.32 109.22 2kco s GLY 14 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.53 2kco s GLY 14 CO -0.07 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.79 2kco n GLY 15 N -2.65 0.95 3.48 0.20 0.00 -1.26 -5.14 105.19 100.76 2kco n GLY 15 Ca 0.07 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 2kco n GLY 15 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kco s LEU 16 N 0.00 -0.51 -0.28 0.99 0.05 -1.26 -5.18 118.68 112.49 2kco s LEU 16 Ca 0.00 0.17 -0.19 0.00 0.05 0.00 0.00 54.13 54.16 2kco s LEU 16 Cb 0.00 2.36 0.12 0.00 -2.05 0.00 0.00 46.19 46.62 2kco s LEU 16 CO 0.00 -0.75 0.94 -0.75 -0.55 0.00 0.00 176.35 175.24 2kco s LYS 17 N -2.86 0.49 -0.04 1.48 2.36 -1.26 -5.17 119.74 114.74 2kco s LYS 17 Ca -0.00 0.74 0.01 0.00 -2.55 0.00 0.00 55.97 54.17 2kco s LYS 17 Cb -0.01 0.15 0.02 0.00 -1.05 0.00 0.00 37.83 36.95 2kco s LYS 17 CO -0.06 -0.09 -0.04 0.20 1.55 0.00 0.00 175.35 176.91 2kco s GLY 18 N 0.98 0.41 -0.49 5.54 0.00 -1.26 -5.12 107.32 107.39 2kco s GLY 18 Ca -0.05 -0.03 -0.24 0.00 0.00 0.00 0.00 44.72 44.40 2kco s GLY 18 CO -0.12 0.40 0.90 0.54 0.00 0.00 0.00 173.10 174.82 2kco s LYS 19 N 0.84 3.44 -0.12 2.90 -0.14 -1.26 -5.04 119.74 120.36 2kco s LYS 19 Ca -0.11 -0.03 -0.21 0.00 -1.36 0.00 0.00 55.97 54.26 2kco s LYS 19 Cb -0.14 -3.97 -0.03 0.00 -1.68 0.00 0.00 37.83 32.01 2kco s LYS 19 CO 0.00 -1.28 0.62 -1.58 -0.76 0.00 0.00 175.35 172.35 2kco s HIS 20 N 3.70 3.49 0.01 3.18 5.65 -1.26 -5.08 115.29 124.99 2kco s HIS 20 Ca 0.33 1.05 0.01 0.00 0.25 0.00 0.00 55.06 56.71 2kco s HIS 20 Cb -0.11 -2.74 -0.01 0.00 -1.18 0.00 0.00 32.58 28.54 2kco s HIS 20 CO 0.23 0.02 -0.05 -0.98 -0.65 0.00 0.00 174.74 173.32 2kco s ARG 21 N 1.12 0.35 -0.10 2.88 3.03 -1.26 -5.16 118.95 119.82 2kco s ARG 21 Ca 0.32 -0.35 0.01 0.00 2.03 0.00 0.00 55.73 57.73 2kco s ARG 21 Cb -0.16 -0.23 0.02 0.00 -1.03 0.00 0.00 34.95 33.54 2kco s ARG 21 CO 0.13 0.05 -0.10 -0.51 -1.13 0.00 0.00 175.30 173.75 2kco s ASP 22 N -0.64 2.10 0.14 -2.89 1.01 -1.26 -5.14 116.67 109.98 2kco s ASP 22 Ca -0.04 -0.33 -0.06 0.00 0.71 0.00 0.00 52.55 52.84 2kco s ASP 22 Cb -0.05 -0.88 -0.06 0.00 1.01 0.00 0.00 42.92 42.94 2kco s ASP 22 CO -0.00 -0.05 0.39 -1.59 0.21 0.00 0.00 175.17 174.13 2kco s LYS 23 N 1.27 3.66 0.38 8.23 0.00 -1.26 -5.13 119.74 126.90 2kco s LYS 23 Ca -0.03 -0.01 0.05 0.00 0.00 0.00 0.00 55.97 55.99 2kco s LYS 23 Cb -0.14 -2.86 -0.00 0.00 0.00 0.00 0.00 37.83 34.83 2kco s LYS 23 CO -0.04 0.47 0.54 1.03 0.00 0.00 0.00 175.35 177.35 2kco s ARG 24 N -2.52 3.06 0.26 1.78 0.52 -1.26 -5.14 118.95 115.64 2kco s ARG 24 Ca 0.40 -0.89 0.10 0.00 -0.52 0.00 0.00 55.73 54.83 2kco s ARG 24 Cb -0.12 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 2kco s ARG 24 CO 0.23 -0.08 -0.08 0.15 0.02 0.00 0.00 175.30 175.54 2kco s LYS 25 N -4.31 2.06 0.42 3.54 1.02 -1.26 -5.16 119.74 116.04 2kco s LYS 25 Ca 0.47 -1.51 0.05 0.00 0.02 0.00 0.00 55.97 55.00 2kco s LYS 25 Cb -0.10 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 2kco s LYS 25 CO 0.33 0.36 0.02 1.52 -0.92 0.00 0.00 175.35 176.67 2kco s TYR 26 N -2.30 2.28 -0.02 3.18 -0.85 -1.26 -5.17 117.35 113.22 2kco s TYR 26 Ca 0.30 -0.80 0.07 0.00 -0.52 0.00 0.00 57.07 56.12 2kco s TYR 26 Cb -0.06 -1.65 -0.02 0.00 0.38 0.00 0.00 41.96 40.61 2kco s TYR 26 CO 0.18 0.31 -0.22 -1.83 -1.52 0.00 0.00 175.55 172.47 2kco s GLU 27 N -3.77 1.76 -0.25 -3.49 -1.05 -1.26 -5.12 118.70 105.51 2kco s GLU 27 Ca 0.29 -0.77 0.01 0.00 -0.15 0.00 0.00 54.97 54.34 2kco s GLU 27 Cb 0.08 -1.70 0.07 0.00 -0.44 0.00 0.00 34.13 32.14 2kco s GLU 27 CO 0.14 0.47 -0.02 0.42 0.95 0.00 0.00 175.26 177.22 2kco s ILE 28 N -0.51 1.48 -0.30 1.83 -1.09 -1.26 -5.00 121.20 116.35 2kco s ILE 28 Ca 0.08 -1.32 0.18 0.00 -2.23 0.00 0.00 60.65 57.37 2kco s ILE 28 Cb -0.08 -1.83 0.47 0.00 -1.58 0.00 0.00 42.46 39.43 2kco s ILE 28 CO -0.01 -0.22 1.22 0.61 -1.23 0.00 0.00 174.94 175.31 2kco n GLY 29 N 4.67 1.77 3.69 6.18 0.00 -1.26 -5.11 105.19 115.13 2kco n GLY 29 Ca -0.09 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.74 2kco n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s ASN 30 N -2.78 6.87 -0.42 1.61 4.22 -1.26 -5.06 114.94 118.11 2kco s ASN 30 Ca 0.22 1.05 -0.25 0.00 -2.14 0.00 0.00 52.86 51.74 2kco s ASN 30 Cb 0.38 -2.39 0.02 0.00 1.28 0.00 0.00 41.25 40.54 2kco s ASN 30 CO -0.05 -0.20 0.88 -2.16 -2.04 0.00 0.00 177.10 173.53 2kco s PRO 31 N 1.32 3.64 -0.43 3.55 0.04 -1.26 -5.02 135.00 136.84 2kco s PRO 31 Ca 0.34 0.26 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 2kco s PRO 31 Cb -0.17 -3.87 -0.06 0.00 0.04 0.00 0.00 34.50 30.44 2kco s PRO 31 CO 0.14 -1.07 2.33 -2.14 0.04 0.00 0.00 177.00 176.30 2kco s PRO 32 N 3.50 2.38 -1.01 0.56 0.02 -1.26 -4.90 135.00 134.29 2kco s PRO 32 Ca 0.35 1.52 -0.22 0.00 0.02 0.00 0.00 61.00 62.67 2kco s PRO 32 Cb -0.11 -4.52 0.06 0.00 0.02 0.00 0.00 34.50 29.95 2kco s PRO 32 CO 0.22 -2.97 1.40 0.99 -0.33 0.00 0.00 177.00 176.32 2kco s THR 33 N 11.10 4.04 0.33 0.99 2.01 -1.26 -5.00 115.64 127.85 2kco s THR 33 Ca 0.97 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 61.80 2kco s THR 33 Cb -0.21 -5.02 -0.09 0.00 0.01 0.00 0.00 72.50 67.19 2kco s THR 33 CO 0.28 -1.87 1.18 -0.36 -0.69 0.00 0.00 174.62 173.15 2kco s PHE 34 N 4.63 3.28 0.13 4.92 0.08 -1.26 -5.05 117.98 124.71 2kco s PHE 34 Ca 0.44 1.58 -0.22 0.00 0.12 0.00 0.00 56.93 58.85 2kco s PHE 34 Cb -0.01 -3.43 -0.07 0.00 -0.57 0.00 0.00 43.02 38.94 2kco s PHE 34 CO -0.10 -1.14 0.67 0.95 -0.10 0.00 0.00 175.22 175.51 2kco s THR 35 N -1.24 4.56 0.00 0.64 -4.23 -1.26 -5.07 115.64 109.05 2kco s THR 35 Ca 0.49 1.43 0.00 0.00 -1.18 0.00 0.00 61.69 62.43 2kco s THR 35 Cb -0.34 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 69.50 2kco s THR 35 CO 0.44 0.51 0.00 0.35 -0.54 0.00 0.00 174.62 175.38 2kco n THR 36 N 1.58 0.00 -3.62 3.99 -2.24 -1.26 -5.09 114.28 107.63 2kco n THR 36 Ca -0.08 0.16 -0.03 0.00 -2.27 0.00 0.00 64.05 61.83 2kco n THR 36 Cb 0.50 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.00 -0.07 0.00 3.22 0.05 -1.26 -5.03 118.68 115.59 2kco s LEU 37 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 54.13 54.21 2kco s LEU 37 Cb 0.00 1.20 0.00 0.00 -2.05 0.00 0.00 46.19 45.34 2kco s LEU 37 CO 0.00 -0.11 0.80 -1.20 -0.55 0.00 0.00 176.35 175.29 2kco n SER 38 N 0.12 1.31 -0.06 1.48 7.64 -1.26 -4.88 113.62 117.96 2kco n SER 38 Ca 0.02 -1.63 -0.12 0.00 1.01 0.00 0.00 58.87 58.16 2kco n SER 38 Cb 0.58 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 0.25 0.00 -0.43 0.00 -2.00 -2.74 119.26 114.34 2kco h ALA 39 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kco h ALA 39 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2kco h ALA 39 CO 0.00 -0.04 0.00 1.05 0.00 0.00 0.00 179.25 180.26 2kco h GLU 40 N 0.08 0.00 -0.24 0.00 4.11 -1.97 -1.26 114.58 115.30 2kco h GLU 40 Ca 0.05 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.33 2kco h GLU 40 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2kco h GLU 40 CO 0.01 0.00 -0.48 0.22 0.07 0.00 0.00 179.01 178.83 2kco h ASP 41 N 0.00 0.70 0.09 3.06 3.58 -1.86 0.80 116.42 122.79 2kco h ASP 41 Ca 0.00 -0.35 -0.16 0.00 0.42 0.00 0.00 57.03 56.95 2kco h ASP 41 Cb 0.57 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2kco h ASP 41 CO 0.00 1.07 -0.55 0.40 -2.88 0.00 0.00 179.24 177.27 2kco h ILE 42 N 0.51 1.33 0.00 2.25 1.08 -1.13 -2.88 117.51 118.67 2kco h ILE 42 Ca 0.03 -1.81 -0.02 0.00 -0.39 0.00 0.00 64.86 62.67 2kco h ILE 42 Cb 1.02 1.80 -0.00 0.00 -3.07 0.00 0.00 36.82 36.57 2kco h ILE 42 CO 0.10 0.56 -0.07 0.03 -0.69 0.00 0.00 178.15 178.07 2kco h ARG 43 N 0.38 0.00 0.09 2.37 2.47 -1.07 -1.65 114.38 116.97 2kco h ARG 43 Ca 0.01 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.47 2kco h ARG 43 Cb 1.08 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2kco h ARG 43 CO 0.10 0.07 -1.16 0.97 0.56 0.00 0.00 179.97 180.51 2kco h ILE 44 N 0.00 1.52 -0.09 2.04 6.09 -0.78 -1.55 117.51 124.74 2kco h ILE 44 Ca -0.00 -3.04 -0.05 0.00 -1.37 0.00 0.00 64.86 60.40 2kco h ILE 44 Cb 0.79 2.86 -0.01 0.00 0.47 0.00 0.00 36.82 40.93 2kco h ILE 44 CO 0.01 0.89 -0.16 0.11 -3.07 0.00 0.00 178.15 175.92 2kco h LYS 45 N 0.08 0.15 -0.00 2.19 1.57 -1.34 -2.90 116.57 116.32 2kco h LYS 45 Ca -0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2kco h LYS 45 Cb 1.88 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.17 2kco h LYS 45 CO 0.19 0.32 -0.00 0.22 -0.57 0.00 0.00 179.45 179.60 2kco h ASP 46 N 0.14 0.01 0.77 0.86 3.58 -1.15 -3.34 116.42 117.28 2kco h ASP 46 Ca 0.03 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 56.92 2kco h ASP 46 Cb 0.38 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2kco h ASP 46 CO 0.02 0.50 -0.29 0.08 -2.88 0.00 0.00 179.24 176.68 2kco h ARG 47 N -0.49 0.00 0.00 0.28 -0.00 -1.22 -2.96 114.38 109.98 2kco h ARG 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2kco h ARG 47 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.47 2kco h ARG 47 CO 0.00 0.29 0.00 -2.37 -0.00 0.00 0.00 179.97 177.89 2kco n THR 48 N -3.54 0.14 -1.97 0.08 5.66 -1.10 -4.72 114.28 108.83 2kco n THR 48 Ca -0.00 0.03 -0.32 0.00 -3.05 0.00 0.00 64.05 60.71 2kco n THR 48 Cb 0.44 -0.68 0.01 0.00 -1.55 0.00 0.00 70.33 68.56 2kco n THR 48 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2kco s LEU 49 N -2.25 3.41 0.00 1.09 2.01 -1.12 -5.08 118.68 116.74 2kco s LEU 49 Ca 0.28 1.71 0.00 0.00 0.01 0.00 0.00 54.13 56.14 2kco s LEU 49 Cb 0.15 -4.52 0.00 0.00 0.01 0.00 0.00 46.19 41.84 2kco s LEU 49 CO 0.29 -1.13 0.00 0.61 1.01 0.00 0.00 176.35 177.13 2kco n GLY 50 N -1.40 5.26 3.65 -3.19 0.00 -1.26 -5.11 105.19 103.13 2kco n GLY 50 Ca 0.08 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 44.87 2kco n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kco s GLY 51 N 0.00 0.31 0.35 -0.02 0.00 -1.26 -5.17 107.32 101.52 2kco s GLY 51 Ca 0.00 3.44 -0.13 0.00 0.00 0.00 0.00 44.72 48.03 2kco s GLY 51 CO 0.00 2.37 0.74 -1.31 0.00 0.00 0.00 173.10 174.90 2kco s ASN 52 N 0.72 6.67 0.60 1.64 -0.87 -1.26 -5.10 114.94 117.33 2kco s ASN 52 Ca -0.02 1.20 -0.07 0.00 -1.57 0.00 0.00 52.86 52.40 2kco s ASN 52 Cb -0.04 -2.34 0.01 0.00 -0.02 0.00 0.00 41.25 38.86 2kco s ASN 52 CO -0.12 -0.27 0.92 -0.36 -2.57 0.00 0.00 177.10 174.70 2kco s PHE 53 N -2.12 3.29 0.77 2.20 0.40 -1.26 -5.09 117.98 116.17 2kco s PHE 53 Ca 0.53 0.72 -0.11 0.00 -0.60 0.00 0.00 56.93 57.46 2kco s PHE 53 Cb -0.10 -2.76 0.05 0.00 0.51 0.00 0.00 43.02 40.72 2kco s PHE 53 CO 0.23 -0.84 1.10 0.15 0.70 0.00 0.00 175.22 176.56 2kco s LYS 54 N -5.03 2.32 -0.10 0.44 1.02 -1.26 -5.09 119.74 112.04 2kco s LYS 54 Ca 0.54 0.59 0.02 0.00 0.02 0.00 0.00 55.97 57.14 2kco s LYS 54 Cb -0.11 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 2kco s LYS 54 CO 0.46 -1.44 -0.17 0.14 -0.92 0.00 0.00 175.35 173.42 2kco s VAL 55 N -3.22 2.69 -0.05 3.17 -7.23 -1.26 -5.13 120.40 109.37 2kco s VAL 55 Ca 0.60 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 60.00 2kco s VAL 55 Cb -0.13 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.72 2kco s VAL 55 CO 0.53 0.55 -0.16 0.00 -0.31 0.00 0.00 175.10 175.71 2kco s ARG 56 N 0.13 1.76 -0.28 4.82 3.03 -1.26 -5.14 118.95 122.01 2kco s ARG 56 Ca -0.09 -0.56 -0.15 0.00 2.03 0.00 0.00 55.73 56.96 2kco s ARG 56 Cb -0.15 -1.51 0.09 0.00 -1.03 0.00 0.00 34.95 32.35 2kco s ARG 56 CO 0.05 0.19 0.71 -1.17 -1.13 0.00 0.00 175.30 173.96 2kco s LEU 57 N 0.17 -0.94 -0.57 -1.89 2.96 -1.26 -5.13 118.68 112.02 2kco s LEU 57 Ca -0.06 1.46 -0.19 0.00 -0.22 0.00 0.00 54.13 55.12 2kco s LEU 57 Cb -0.12 2.31 0.10 0.00 0.50 0.00 0.00 46.19 48.98 2kco s LEU 57 CO 0.03 -0.23 0.67 -0.54 -1.32 0.00 0.00 176.35 174.96 2kco s LYS 58 N 1.82 3.05 -0.61 1.98 1.02 -1.26 -5.02 119.74 120.71 2kco s LYS 58 Ca -0.09 -1.29 -0.27 0.00 0.02 0.00 0.00 55.97 54.34 2kco s LYS 58 Cb -0.06 -4.24 -0.00 0.00 -0.52 0.00 0.00 37.83 33.00 2kco s LYS 58 CO -0.19 -1.47 1.65 0.71 -0.92 0.00 0.00 175.35 175.12 2kco s TYR 59 N 2.59 1.91 -0.05 3.18 2.02 -1.26 -4.97 117.35 120.76 2kco s TYR 59 Ca 0.11 0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 57.05 2kco s TYR 59 Cb -0.24 -4.26 -0.05 0.00 -0.40 0.00 0.00 41.96 37.01 2kco s TYR 59 CO 0.07 -2.24 1.47 0.95 -1.57 0.00 0.00 175.55 174.23 2kco s THR 60 N 7.69 3.76 -0.25 -0.71 -4.23 -1.26 -4.92 115.64 115.72 2kco s THR 60 Ca 0.58 1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 61.83 2kco s THR 60 Cb -0.12 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.07 2kco s THR 60 CO 0.21 -0.05 1.11 -0.89 -0.54 0.00 0.00 174.62 174.46 2kco s THR 61 N 3.25 4.52 0.18 3.99 2.01 -1.26 -4.72 115.64 123.61 2kco s THR 61 Ca 0.66 1.81 0.02 0.00 0.31 0.00 0.00 61.69 64.49 2kco s THR 61 Cb -0.30 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 2kco s THR 61 CO 0.25 -0.27 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.01 2kco s THR 62 N 3.46 0.81 -0.08 -0.82 2.01 -0.68 -4.23 115.64 116.11 2kco s THR 62 Ca 0.47 -2.00 0.05 0.00 0.31 0.00 0.00 61.69 60.52 2kco s THR 62 Cb -0.16 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.22 2kco s THR 62 CO 0.11 -0.48 -0.24 0.00 -0.69 0.00 0.00 174.62 173.32 2kco s ALA 63 N -3.57 2.14 -0.61 7.40 0.00 -0.54 -2.00 121.76 124.58 2kco s ALA 63 Ca 0.24 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 2kco s ALA 63 Cb 0.06 -0.74 0.15 0.00 0.00 0.00 0.00 23.12 22.59 2kco s ALA 63 CO 0.04 0.34 0.56 1.21 0.00 0.00 0.00 175.76 177.92 2kco s ASN 64 N 0.11 6.31 0.02 0.00 3.04 -1.03 -1.17 114.94 122.21 2kco s ASN 64 Ca -0.12 -2.04 -0.30 0.00 0.04 0.00 0.00 52.86 50.45 2kco s ASN 64 Cb -0.16 -2.20 -0.04 0.00 -1.54 0.00 0.00 41.25 37.32 2kco s ASN 64 CO 0.06 -0.77 0.96 -0.69 -3.04 0.00 0.00 177.10 173.62 2kco s VAL 65 N 1.21 4.82 -0.19 -5.21 1.01 0.72 -0.52 120.40 122.24 2kco s VAL 65 Ca 0.07 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.78 2kco s VAL 65 Cb -0.25 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.84 2kco s VAL 65 CO -0.00 0.19 1.04 -0.22 0.00 0.00 0.00 175.10 176.12 2kco s LEU 66 N 0.81 4.14 -0.55 3.92 1.98 -0.53 0.45 118.68 128.91 2kco s LEU 66 Ca 0.50 1.44 -0.17 0.00 -2.89 0.00 0.00 54.13 53.00 2kco s LEU 66 Cb -0.21 -3.54 0.11 0.00 0.66 0.00 0.00 46.19 43.20 2kco s LEU 66 CO 0.28 -0.62 0.57 -0.62 -1.89 0.00 0.00 176.35 174.07 2kco s ASP 67 N 1.21 6.18 0.55 3.68 -1.08 -0.81 -3.51 116.67 122.89 2kco s ASP 67 Ca 0.46 -1.53 0.31 0.00 -0.52 0.00 0.00 52.55 51.27 2kco s ASP 67 Cb -0.16 -2.25 1.59 0.00 -1.46 0.00 0.00 42.92 40.64 2kco s ASP 67 CO 0.09 -0.93 2.10 1.55 0.52 0.00 0.00 175.17 178.51 2kco h PRO 68 N 8.99 0.00 -0.47 4.34 0.13 -1.86 0.36 132.00 143.48 2kco h PRO 68 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2kco h PRO 68 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2kco h PRO 68 CO 1.04 0.08 -0.02 0.00 -0.23 0.00 0.00 178.00 178.87 2kco h ALA 69 N 1.92 0.64 -0.01 -0.56 0.00 -1.94 -3.22 119.26 116.09 2kco h ALA 69 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kco h ALA 69 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2kco h ALA 69 CO 0.01 0.45 -0.34 0.25 0.00 0.00 0.00 179.25 179.62 2kco n THR 70 N -4.34 0.00 -1.25 0.00 -2.24 -1.15 -4.99 114.28 100.31 2kco n THR 70 Ca 0.00 -0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 61.37 2kco n THR 70 Cb 0.32 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.30 -4.89 -4.27 3.42 2.85 0.12 -5.00 115.26 107.19 2kco n ASN 71 Ca 0.05 0.21 -0.32 0.00 -0.11 0.00 0.00 54.58 54.41 2kco n ASN 71 Cb 0.29 -3.13 -0.16 0.00 1.24 0.00 0.00 39.78 38.01 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 -2.02 2.33 -0.16 -0.44 -4.23 -0.93 -4.84 115.64 105.36 2kco s THR 72 Ca 0.00 -0.93 -0.24 0.00 -1.18 0.00 0.00 61.69 59.34 2kco s THR 72 Cb 0.00 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 2kco s THR 72 CO 0.00 0.55 0.78 0.00 -0.54 0.00 0.00 174.62 175.42 2kco s ALA 73 N 0.27 3.49 0.17 3.99 0.00 -1.26 -1.93 121.76 126.49 2kco s ALA 73 Ca -0.15 0.01 0.10 0.00 0.00 0.00 0.00 51.96 51.92 2kco s ALA 73 Cb -0.17 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2kco s ALA 73 CO 0.07 -0.55 -0.15 -1.59 0.00 0.00 0.00 175.76 173.54 2kco s LYS 74 N 1.90 1.85 -0.33 0.00 -2.85 0.17 -4.93 119.74 115.55 2kco s LYS 74 Ca 0.37 -1.32 -0.06 0.00 -1.00 0.00 0.00 55.97 53.96 2kco s LYS 74 Cb -0.17 -2.06 0.04 0.00 -2.06 0.00 0.00 37.83 33.58 2kco s LYS 74 CO 0.13 0.43 0.08 0.21 0.10 0.00 0.00 175.35 176.31 2kco s LYS 75 N -2.64 2.60 0.07 1.78 2.20 -1.26 -0.20 119.74 122.30 2kco s LYS 75 Ca 0.22 -1.18 0.06 0.00 -0.36 0.00 0.00 55.97 54.71 2kco s LYS 75 Cb -0.09 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2kco s LYS 75 CO 0.13 -0.65 -0.16 0.14 -0.36 0.00 0.00 175.35 174.44 2kco s VAL 76 N 1.38 1.30 0.60 4.02 -7.23 -0.32 -4.95 120.40 115.21 2kco s VAL 76 Ca -0.02 -1.30 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 2kco s VAL 76 Cb -0.19 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 2kco s VAL 76 CO 0.02 -0.11 1.22 -0.75 -0.31 0.00 0.00 175.10 175.18 2kco s LYS 77 N -1.62 2.90 -0.19 4.82 2.20 -1.26 -1.46 119.74 125.12 2kco s LYS 77 Ca 0.01 1.86 -0.25 0.00 -0.36 0.00 0.00 55.97 57.24 2kco s LYS 77 Cb -0.09 -1.91 -0.01 0.00 -1.51 0.00 0.00 37.83 34.30 2kco s LYS 77 CO 0.03 -1.28 0.81 0.42 -0.36 0.00 0.00 175.35 174.97 2kco s ILE 78 N -1.56 4.88 0.00 5.43 1.01 -1.26 -3.12 121.20 126.58 2kco s ILE 78 Ca 0.78 1.58 0.00 0.00 0.00 0.00 0.00 60.65 63.01 2kco s ILE 78 Cb -0.32 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.04 2kco s ILE 78 CO 0.34 0.01 0.00 0.18 0.00 0.00 0.00 174.94 175.48 2kco n LEU 79 N 5.37 0.69 -3.51 2.97 4.77 -0.52 -5.03 117.00 121.74 2kco n LEU 79 Ca 0.04 0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 56.05 2kco n LEU 79 Cb 0.49 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2kco n LEU 79 CO 0.48 -0.30 0.39 -1.83 -1.33 0.00 0.00 177.39 174.79 2kco s GLU 80 N -0.61 1.11 0.12 3.23 -1.05 -1.17 -4.99 118.70 115.35 2kco s GLU 80 Ca 0.00 -0.06 -0.23 0.00 -0.15 0.00 0.00 54.97 54.53 2kco s GLU 80 Cb 0.00 0.52 -0.07 0.00 -0.44 0.00 0.00 34.13 34.13 2kco s GLU 80 CO 0.00 -0.40 0.69 0.96 0.95 0.00 0.00 175.26 177.46 2kco s ILE 81 N -2.20 4.53 -0.21 1.83 -0.00 -1.26 -0.20 121.20 123.69 2kco s ILE 81 Ca -0.06 1.50 -0.17 0.00 -0.00 0.00 0.00 60.65 61.92 2kco s ILE 81 Cb -0.01 -4.04 -0.13 0.00 -0.00 0.00 0.00 42.46 38.29 2kco s ILE 81 CO 0.01 0.53 -0.07 0.18 -0.00 0.00 0.00 174.94 175.59 2kco n LEU 82 N 1.71 1.88 -4.59 0.37 7.99 -0.40 -4.77 117.00 119.20 2kco n LEU 82 Ca -0.07 0.44 -0.43 0.00 -0.01 0.00 0.00 56.01 55.94 2kco n LEU 82 Cb 0.50 -0.89 -0.04 0.00 -0.11 0.00 0.00 43.42 42.88 2kco n LEU 82 CO 0.44 0.14 0.75 -0.70 -1.51 0.00 0.00 177.39 176.52 2kco s GLU 83 N -2.43 3.77 -0.19 3.23 2.56 -1.24 -4.98 118.70 119.43 2kco s GLU 83 Ca -0.29 0.48 -0.29 0.00 0.00 0.00 0.00 54.97 54.87 2kco s GLU 83 Cb 0.07 -3.83 -0.01 0.00 2.00 0.00 0.00 34.13 32.36 2kco s GLU 83 CO 0.47 -1.01 1.23 0.95 -0.56 0.00 0.00 175.26 176.35 2kco s THR 84 N 3.53 4.33 0.79 -1.70 -4.23 -1.26 -4.17 115.64 112.94 2kco s THR 84 Ca 0.38 1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 62.37 2kco s THR 84 Cb -0.11 -4.06 0.06 0.00 1.34 0.00 0.00 72.50 69.73 2kco s THR 84 CO 0.20 -0.17 1.10 -2.16 -0.54 0.00 0.00 174.62 173.05 2kco s PRO 85 N 3.51 2.16 0.34 3.99 0.04 -1.26 -4.99 135.00 138.79 2kco s PRO 85 Ca 0.53 0.59 0.07 0.00 0.04 0.00 0.00 61.00 62.23 2kco s PRO 85 Cb -0.20 -1.93 0.63 0.00 0.04 0.00 0.00 34.50 33.04 2kco s PRO 85 CO 0.14 -1.56 1.84 0.00 0.04 0.00 0.00 177.00 177.46 2kco h ALA 86 N -1.04 1.35 -0.79 8.56 0.00 -2.01 -2.79 119.26 122.53 2kco h ALA 86 Ca -0.47 -0.26 -0.72 0.00 0.00 0.00 0.00 54.91 53.45 2kco h ALA 86 Cb 1.27 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 2kco h ALA 86 CO 0.60 0.44 1.71 0.27 0.00 0.00 0.00 179.25 182.27 2kco n ASN 87 N -4.21 7.63 -0.32 0.00 6.94 -1.26 -4.75 115.26 119.29 2kco n ASN 87 Ca -0.00 -3.33 0.01 0.00 -0.02 0.00 0.00 54.58 51.24 2kco n ASN 87 Cb 0.32 -1.28 0.19 0.00 -2.36 0.00 0.00 39.78 36.65 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 4.18 1.13 0.00 -3.83 -0.00 -1.88 -2.68 116.57 113.48 2kco h LYS 88 Ca 0.61 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.65 61.16 2kco h LYS 88 Cb 0.35 -0.25 -0.00 0.00 -0.00 0.00 0.00 32.23 32.32 2kco h LYS 88 CO 1.31 0.75 -0.16 1.05 -0.00 0.00 0.00 179.45 182.40 2kco h GLU 89 N 1.16 0.00 0.00 0.07 9.09 -1.89 0.98 114.58 123.99 2kco h GLU 89 Ca 0.37 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.71 2kco h GLU 89 Cb 0.02 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.12 2kco h GLU 89 CO -0.11 0.16 -0.29 -0.07 0.05 0.00 0.00 179.01 178.76 2kco h LEU 90 N 0.00 0.25 -2.70 3.06 -0.00 -1.75 -3.17 115.31 111.00 2kco h LEU 90 Ca -0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 57.88 57.09 2kco h LEU 90 Cb 0.32 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2kco h LEU 90 CO 0.02 1.00 0.04 0.00 -0.00 0.00 0.00 178.44 179.51 2kco h ALA 91 N 0.25 1.04 0.00 1.53 0.00 -0.89 0.11 119.26 121.30 2kco h ALA 91 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2kco h ALA 91 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2kco h ALA 91 CO 0.06 -0.04 -0.76 0.00 0.00 0.00 0.00 179.25 178.50 2kco h ARG 92 N 0.00 0.00 0.00 0.00 3.08 -0.83 -2.37 114.38 114.25 2kco h ARG 92 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kco h ARG 92 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2kco h ARG 92 CO 0.00 0.76 0.00 0.54 -1.07 0.00 0.00 179.97 180.20 2kco n ARG 93 N -3.52 0.04 -0.25 0.04 1.74 -0.09 -4.92 116.66 109.70 2kco n ARG 93 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kco n ARG 93 Cb 0.77 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 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 1.47 0.81 3.55 -0.13 0.00 -0.67 -4.84 105.19 105.38 2kco n GLY 94 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.61 4.12 0.17 -0.61 -1.09 0.18 -4.84 121.20 116.53 2kco s ILE 95 Ca 0.00 -1.39 -0.06 0.00 -2.23 0.00 0.00 60.65 56.97 2kco s ILE 95 Cb 0.00 -5.09 -0.06 0.00 -1.58 0.00 0.00 42.46 35.73 2kco s ILE 95 CO 0.00 -1.93 0.43 -0.63 -1.23 0.00 0.00 174.94 171.58 2kco s ILE 96 N 4.32 5.09 0.08 2.92 1.01 -1.26 -2.29 121.20 131.07 2kco s ILE 96 Ca 0.48 0.17 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 2kco s ILE 96 Cb 0.01 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 2kco s ILE 96 CO -0.02 0.01 0.35 -0.51 0.00 0.00 0.00 174.94 174.76 2kco s ILE 97 N -1.71 5.19 0.21 2.92 2.07 -1.26 -4.51 121.20 124.11 2kco s ILE 97 Ca 0.43 0.19 -0.32 0.00 -1.41 0.00 0.00 60.65 59.54 2kco s ILE 97 Cb -0.12 -3.61 -0.12 0.00 0.13 0.00 0.00 42.46 38.74 2kco s ILE 97 CO 0.24 0.22 1.71 -0.60 -1.91 0.00 0.00 174.94 174.60 2kco s ARG 98 N -2.15 4.13 0.00 3.50 3.00 -1.26 -2.76 118.95 123.41 2kco s ARG 98 Ca 0.34 2.59 0.00 0.00 -1.00 0.00 0.00 55.73 57.67 2kco s ARG 98 Cb -0.13 -3.08 0.00 0.00 0.00 0.00 0.00 34.95 31.74 2kco s ARG 98 CO 0.20 -0.74 0.00 0.41 0.00 0.00 0.00 175.30 175.17 2kco n GLY 99 N 3.93 0.61 3.81 8.12 0.00 -0.82 -5.05 105.19 115.80 2kco n GLY 99 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 3.79 0.27 4.61 0.00 -1.11 -4.97 121.76 122.35 2kco s ALA 100 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2kco s ALA 100 Cb 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 2kco s ALA 100 CO 0.00 0.43 1.04 0.15 0.00 0.00 0.00 175.76 177.37 2kco s LYS 101 N -0.44 4.70 0.13 0.00 3.01 -1.26 -2.63 119.74 123.25 2kco s LYS 101 Ca 0.12 1.67 0.05 0.00 -1.01 0.00 0.00 55.97 56.80 2kco s LYS 101 Cb -0.12 -3.18 -0.04 0.00 -1.01 0.00 0.00 37.83 33.48 2kco s LYS 101 CO 0.01 0.31 -0.12 -1.50 0.51 0.00 0.00 175.35 174.56 2kco s ILE 102 N -1.20 1.22 -0.13 2.17 2.07 -0.15 -1.27 121.20 123.91 2kco s ILE 102 Ca 0.44 -1.84 0.01 0.00 -1.41 0.00 0.00 60.65 57.85 2kco s ILE 102 Cb -0.29 -1.62 -0.01 0.00 0.13 0.00 0.00 42.46 40.67 2kco s ILE 102 CO 0.37 -0.56 -0.16 -0.13 -1.91 0.00 0.00 174.94 172.55 2kco s ARG 103 N -3.09 3.28 0.55 3.50 0.52 0.72 -1.12 118.95 123.30 2kco s ARG 103 Ca 0.11 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 2kco s ARG 103 Cb -0.02 -2.56 0.03 0.00 0.52 0.00 0.00 34.95 32.92 2kco s ARG 103 CO 0.02 0.16 0.23 0.95 0.02 0.00 0.00 175.30 176.68 2kco s THR 104 N 0.46 1.29 -0.39 0.02 -4.23 -0.35 -1.44 115.64 111.00 2kco s THR 104 Ca -0.11 -1.72 0.25 0.00 -1.18 0.00 0.00 61.69 58.92 2kco s THR 104 Cb -0.16 -2.01 0.27 0.00 1.34 0.00 0.00 72.50 71.94 2kco s THR 104 CO 0.05 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 175.55 2kco h GLU 105 N 0.95 0.00 0.00 3.99 5.08 -1.82 -3.27 114.58 119.51 2kco h GLU 105 Ca -0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2kco h GLU 105 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2kco h GLU 105 CO 0.64 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.65 2kco h ALA 106 N 2.22 -0.06 -2.67 3.43 0.00 -1.94 -3.51 119.26 116.74 2kco h ALA 106 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kco h ALA 106 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2kco h ALA 106 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2kco n GLY 107 N 1.82 2.19 3.70 0.00 0.00 -1.23 -5.12 105.19 106.55 2kco n GLY 107 Ca -0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 4.34 0.22 0.99 2.96 -1.26 -1.21 118.68 124.72 2kco s LEU 108 Ca 0.00 2.10 0.02 0.00 -0.22 0.00 0.00 54.13 56.03 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 -0.63 0.05 0.00 -1.32 0.00 0.00 176.35 174.45 2kco s ALA 109 N 1.76 1.56 -0.13 5.97 0.00 -0.28 -3.01 121.76 127.63 2kco s ALA 109 Ca 0.62 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 2kco s ALA 109 Cb -0.31 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 2kco s ALA 109 CO 0.27 -0.39 -0.06 0.54 0.00 0.00 0.00 175.76 176.13 2kco s VAL 110 N -3.70 3.69 -0.28 0.00 0.11 -0.36 -0.98 120.40 118.89 2kco s VAL 110 Ca 0.31 -0.44 -0.29 0.00 -2.93 0.00 0.00 61.98 58.63 2kco s VAL 110 Cb 0.07 -2.58 -0.03 0.00 -1.53 0.00 0.00 36.38 32.31 2kco s VAL 110 CO 0.09 0.53 1.80 0.68 -3.33 0.00 0.00 175.10 174.87 2kco s VAL 111 N 0.07 3.47 -0.56 2.04 -7.23 -1.08 -1.28 120.40 115.83 2kco s VAL 111 Ca -0.02 0.49 0.11 0.00 -1.81 0.00 0.00 61.98 60.75 2kco s VAL 111 Cb -0.14 -3.57 0.31 0.00 0.56 0.00 0.00 36.38 33.54 2kco s VAL 111 CO 0.03 -0.33 1.24 1.07 -0.31 0.00 0.00 175.10 176.81 2kco n THR 112 N 7.15 1.34 -4.18 5.32 5.66 -0.26 -1.94 114.28 127.37 2kco n THR 112 Ca 0.22 -1.27 -0.13 0.00 -3.05 0.00 0.00 64.05 59.82 2kco n THR 112 Cb 0.46 0.29 -0.08 0.00 -1.55 0.00 0.00 70.33 69.44 2kco n THR 112 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2kco s SER 113 N -1.32 0.50 0.39 1.09 0.15 -1.07 -4.98 113.70 108.45 2kco s SER 113 Ca 0.24 -1.41 -0.22 0.00 0.70 0.00 0.00 55.95 55.27 2kco s SER 113 Cb 0.16 0.47 -0.10 0.00 -1.71 0.00 0.00 66.02 64.84 2kco s SER 113 CO 0.11 -0.97 0.93 0.00 1.20 0.00 0.00 173.24 174.50 2kco s ARG 114 N -3.89 4.31 -0.18 5.44 1.70 -1.26 -4.43 118.95 120.64 2kco s ARG 114 Ca 0.36 1.14 -0.34 0.00 -0.47 0.00 0.00 55.73 56.41 2kco s ARG 114 Cb 0.04 -2.38 -0.11 0.00 -0.57 0.00 0.00 34.95 31.93 2kco s ARG 114 CO 0.16 0.08 1.98 -2.30 -1.08 0.00 0.00 175.30 174.13 2kco n PRO 115 N -0.27 1.83 -1.39 3.89 -0.02 -1.26 -4.53 135.00 133.26 2kco n PRO 115 Ca 0.05 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.85 2kco n PRO 115 Cb 0.53 -2.63 0.09 0.00 -0.02 0.00 0.00 33.50 31.47 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 5.23 1.65 0.50 -1.23 0.00 -0.30 -4.94 107.32 108.24 2kco s GLY 116 Ca 0.98 0.06 0.27 0.00 0.00 0.00 0.00 44.72 46.03 2kco s GLY 116 CO 0.51 0.44 1.97 0.06 0.00 0.00 0.00 173.10 176.07 2kco h GLN 117 N -1.09 0.00 0.00 2.90 3.07 -1.94 -1.72 115.11 116.33 2kco h GLN 117 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 2kco h GLN 117 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 2kco h GLN 117 CO 0.55 0.15 0.00 -3.47 0.09 0.00 0.00 178.83 176.15 2kco n ASP 118 N -3.44 0.19 0.00 0.06 2.03 -1.26 -4.88 116.55 109.25 2kco n ASP 118 Ca -0.01 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.84 2kco n ASP 118 Cb 0.32 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 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 0.57 0.87 3.29 0.27 0.00 -0.65 -4.58 105.19 104.95 2kco n GLY 119 Ca 0.04 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 2.98 -0.33 1.61 1.01 -1.24 -1.69 120.40 120.73 2kco s VAL 120 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2kco s VAL 120 Cb 0.00 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.11 2kco s VAL 120 CO 0.00 0.48 0.11 -0.63 0.00 0.00 0.00 175.10 175.06 2kco s ILE 121 N 1.09 3.91 0.31 2.22 1.09 -0.85 -1.15 121.20 127.82 2kco s ILE 121 Ca 0.00 -0.99 -0.29 0.00 -1.10 0.00 0.00 60.65 58.28 2kco s ILE 121 Cb -0.15 -3.16 -0.10 0.00 -1.06 0.00 0.00 42.46 38.00 2kco s ILE 121 CO -0.03 -0.11 1.30 0.21 -0.10 0.00 0.00 174.94 176.21 2kco s ASN 122 N 1.44 6.82 0.15 3.58 3.84 -1.26 -2.47 114.94 127.04 2kco s ASN 122 Ca -0.00 2.62 0.03 0.00 0.21 0.00 0.00 52.86 55.72 2kco s ASN 122 Cb -0.19 -2.64 -0.04 0.00 -0.55 0.00 0.00 41.25 37.83 2kco s ASN 122 CO 0.03 -0.51 -0.04 0.00 -2.79 0.00 0.00 177.10 173.79 2kco s ALA 123 N -0.93 1.30 -0.06 1.71 0.00 0.33 -1.11 121.76 123.00 2kco s ALA 123 Ca 0.50 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2kco s ALA 123 Cb -0.39 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.05 2kco s ALA 123 CO 0.50 -0.24 -0.14 0.08 0.00 0.00 0.00 175.76 175.96 2kco s VAL 124 N -3.55 1.27 -0.19 0.00 1.01 -0.41 -1.45 120.40 117.08 2kco s VAL 124 Ca 0.19 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2kco s VAL 124 Cb 0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2kco s VAL 124 CO 0.01 0.38 1.69 -0.76 0.00 0.00 0.00 175.10 176.42 2kco s LEU 125 N 0.43 3.92 -0.22 3.92 1.43 -1.23 -1.23 118.68 125.71 2kco s LEU 125 Ca -0.11 1.75 0.13 0.00 -1.03 0.00 0.00 54.13 54.87 2kco s LEU 125 Cb -0.14 -3.53 0.45 0.00 0.03 0.00 0.00 46.19 43.00 2kco s LEU 125 CO 0.04 -1.28 1.35 0.00 0.23 0.00 0.00 176.35 176.69 2kco n LEU 126 N 8.55 3.45 -4.56 1.79 -0.00 -1.16 -4.78 117.00 120.29 2kco n LEU 126 Ca 0.20 -3.48 -0.30 0.00 -0.00 0.00 0.00 56.01 52.42 2kco n LEU 126 Cb 0.45 -0.55 -0.04 0.00 -0.00 0.00 0.00 43.42 43.27 2kco n LEU 126 CO 0.65 1.03 1.42 -0.75 -0.00 0.00 0.00 177.39 179.74 2kco s LYS 127 N -3.07 2.60 -1.18 1.47 2.20 -1.17 -4.90 119.74 115.70 2kco s LYS 127 Ca 0.40 -0.06 -0.22 0.00 -0.36 0.00 0.00 55.97 55.74 2kco s LYS 127 Cb 0.36 -4.87 -0.04 0.00 -1.51 0.00 0.00 37.83 31.77 2kco s LYS 127 CO 0.01 -3.16 1.87 -0.80 -0.36 0.00 0.00 175.35 172.91 2kco s ASN 128 N 7.95 5.55 -1.24 1.43 0.01 -1.26 -4.89 114.94 122.49 2kco s ASN 128 Ca 0.68 -1.77 -0.14 0.00 -0.71 0.00 0.00 52.86 50.93 2kco s ASN 128 Cb -0.08 -2.58 0.15 0.00 0.41 0.00 0.00 41.25 39.15 2kco s ASN 128 CO 0.05 -2.51 1.54 -1.84 -1.51 0.00 0.00 177.10 172.83 2kco n GLU 129 N 8.39 3.36 -2.33 -0.60 0.28 -1.26 -5.00 120.64 123.48 2kco n GLU 129 Ca 0.45 -3.71 -0.42 0.00 -0.16 0.00 0.00 57.16 53.32 2kco n GLU 129 Cb 0.47 -3.11 -0.03 0.00 1.43 0.00 0.00 31.44 30.20 2kco n GLU 129 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2kco s SER 130 N 2.86 6.97 -1.06 -1.84 1.04 -1.26 -4.94 113.70 115.48 2kco s SER 130 Ca 0.44 2.09 -0.23 0.00 0.48 0.00 0.00 55.95 58.73 2kco s SER 130 Cb -0.00 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.48 2kco s SER 130 CO 0.01 -0.57 1.93 -1.58 0.98 0.00 0.00 173.24 174.01 2kco s GLN 131 N 1.43 2.55 -0.50 4.02 0.74 -1.26 -4.69 119.66 121.96 2kco s GLN 131 Ca 0.61 -0.78 0.07 0.00 0.05 0.00 0.00 55.36 55.31 2kco s GLN 131 Cb -0.31 -5.17 0.19 0.00 1.10 0.00 0.00 33.01 28.82 2kco s GLN 131 CO 0.28 -3.67 0.70 0.50 -0.55 0.00 0.00 175.29 172.55 2kco s ARG 132 N 6.67 1.04 0.00 1.67 3.00 -1.26 -5.36 118.95 124.70 2kco s ARG 132 Ca 0.69 -1.00 0.00 0.00 -1.00 0.00 0.00 55.73 54.42 2kco s ARG 132 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 34.95 34.83 2kco s ARG 132 CO 0.07 -1.31 0.00 0.45 0.00 0.00 0.00 175.30 174.50