#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 -1.23 3.57 3.03 0.00 -1.26 -5.09 105.19 104.21 2kco n GLY 2 Ca 0.00 0.33 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 2.25 -0.44 1.61 5.36 -1.26 -4.94 117.98 120.56 2kco s PHE 3 Ca 0.00 -0.29 -0.26 0.00 -0.96 0.00 0.00 56.93 55.42 2kco s PHE 3 Cb 0.00 -4.39 0.02 0.00 -0.34 0.00 0.00 43.02 38.31 2kco s PHE 3 CO 0.00 -1.74 0.95 0.71 -1.46 0.00 0.00 175.22 173.67 2kco s TYR 4 N 7.44 2.96 0.57 10.12 2.02 -1.26 -5.04 117.35 134.16 2kco s TYR 4 Ca 0.59 0.53 -0.20 0.00 -0.37 0.00 0.00 57.07 57.61 2kco s TYR 4 Cb -0.02 -3.92 -0.05 0.00 -0.40 0.00 0.00 41.96 37.57 2kco s TYR 4 CO -0.01 -1.04 1.12 0.00 -1.57 0.00 0.00 175.55 174.06 2kco n GLN 5 N 7.12 1.21 -2.15 -0.62 -0.00 -1.26 -4.93 117.38 116.74 2kco n GLN 5 Ca 0.07 0.45 -0.43 0.00 -0.00 0.00 0.00 57.00 57.09 2kco n GLN 5 Cb 0.48 -2.31 -0.02 0.00 -0.00 0.00 0.00 30.24 28.39 2kco n GLN 5 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2kco s GLY 6 N -1.10 1.02 0.07 2.61 0.00 -1.26 -4.99 107.32 103.67 2kco s GLY 6 Ca 0.74 0.19 -0.31 0.00 0.00 0.00 0.00 44.72 45.34 2kco s GLY 6 CO 0.48 3.02 1.29 2.56 0.00 0.00 0.00 173.10 180.45 2kco s PRO 7 N 5.12 4.37 -1.13 2.90 0.04 -1.26 -4.94 135.00 140.10 2kco s PRO 7 Ca 0.71 1.89 -0.22 0.00 0.04 0.00 0.00 61.00 63.43 2kco s PRO 7 Cb -0.20 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 2kco s PRO 7 CO 0.32 -0.37 1.78 0.34 0.04 0.00 0.00 177.00 179.11 2kco s ASP 8 N 1.20 5.90 -0.12 6.66 2.15 -1.26 -4.94 116.67 126.27 2kco s ASP 8 Ca 0.61 -1.68 -0.01 0.00 0.43 0.00 0.00 52.55 51.90 2kco s ASP 8 Cb -0.32 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.70 2kco s ASP 8 CO 0.29 -2.12 -0.07 0.54 -0.17 0.00 0.00 175.17 173.64 2kco s ASN 9 N 5.78 4.57 -0.20 -0.34 4.22 -1.26 -5.12 114.94 122.59 2kco s ASN 9 Ca 0.60 -0.13 -0.15 0.00 -2.14 0.00 0.00 52.86 51.04 2kco s ASN 9 Cb -0.00 -1.50 0.06 0.00 1.28 0.00 0.00 41.25 41.08 2kco s ASN 9 CO 0.04 0.24 0.50 0.00 -2.04 0.00 0.00 177.10 175.85 2kco s ARG 10 N -0.10 0.54 -0.71 3.55 1.70 -1.26 -5.12 118.95 117.55 2kco s ARG 10 Ca 0.01 0.80 -0.22 0.00 -0.47 0.00 0.00 55.73 55.85 2kco s ARG 10 Cb -0.13 0.17 0.08 0.00 -0.57 0.00 0.00 34.95 34.50 2kco s ARG 10 CO 0.03 -0.11 0.99 0.15 -1.08 0.00 0.00 175.30 175.28 2kco s LYS 11 N 0.80 3.21 -0.13 3.89 1.02 -1.26 -5.02 119.74 122.26 2kco s LYS 11 Ca -0.04 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 54.61 2kco s LYS 11 Cb -0.05 -4.39 -0.04 0.00 -0.52 0.00 0.00 37.83 32.83 2kco s LYS 11 CO -0.06 -1.80 1.56 -1.50 -0.92 0.00 0.00 175.35 172.63 2kco s ILE 12 N 3.74 3.76 0.55 2.17 2.07 -1.26 -5.00 121.20 127.23 2kco s ILE 12 Ca 0.24 0.90 -0.17 0.00 -1.41 0.00 0.00 60.65 60.21 2kco s ILE 12 Cb -0.15 -3.65 -0.06 0.00 0.13 0.00 0.00 42.46 38.74 2kco s ILE 12 CO 0.06 -0.15 1.04 0.28 -1.91 0.00 0.00 174.94 174.25 2kco s THR 13 N 4.31 3.95 0.00 4.00 -1.32 -1.26 -5.08 115.64 120.25 2kco s THR 13 Ca 0.69 1.01 0.00 0.00 -1.21 0.00 0.00 61.69 62.18 2kco s THR 13 Cb -0.28 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 2kco s THR 13 CO 0.26 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 2kco n GLY 14 N -0.89 -0.24 3.47 6.08 0.00 -1.26 -5.13 105.19 107.22 2kco n GLY 14 Ca 0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -0.52 -0.29 -0.02 0.00 -1.26 -5.17 107.32 100.06 2kco s GLY 15 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 44.72 45.41 2kco s GLY 15 CO 0.00 0.29 0.71 -2.27 0.00 0.00 0.00 173.10 171.83 2kco s LEU 16 N -2.54 -0.95 -0.04 0.66 2.96 -1.26 -5.18 118.68 112.33 2kco s LEU 16 Ca 0.03 1.45 -0.07 0.00 -0.22 0.00 0.00 54.13 55.32 2kco s LEU 16 Cb -0.01 2.29 0.01 0.00 0.50 0.00 0.00 46.19 48.98 2kco s LEU 16 CO -0.10 -0.22 0.18 -0.75 -1.32 0.00 0.00 176.35 174.13 2kco s LYS 17 N 1.94 0.35 0.82 1.98 2.20 -1.26 -5.18 119.74 120.60 2kco s LYS 17 Ca -0.09 -0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 2kco s LYS 17 Cb -0.07 0.16 0.12 0.00 -1.51 0.00 0.00 37.83 36.53 2kco s LYS 17 CO -0.19 -0.07 1.16 0.20 -0.36 0.00 0.00 175.35 176.08 2kco s GLY 18 N -0.58 1.71 -0.01 5.54 0.00 -1.26 -5.12 107.32 107.59 2kco s GLY 18 Ca -0.07 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2kco s GLY 18 CO 0.01 -0.50 0.00 1.25 0.00 0.00 0.00 173.10 173.86 2kco s LYS 19 N -5.53 0.10 0.25 2.90 2.47 -1.26 -5.16 119.74 113.51 2kco s LYS 19 Ca 0.66 0.05 -0.07 0.00 -1.56 0.00 0.00 55.97 55.05 2kco s LYS 19 Cb -0.08 -0.22 -0.06 0.00 -1.46 0.00 0.00 37.83 36.01 2kco s LYS 19 CO 0.48 -0.07 0.53 -1.01 0.16 0.00 0.00 175.35 175.45 2kco s HIS 20 N 0.53 3.45 0.53 4.03 3.76 -1.26 -5.12 115.29 121.21 2kco s HIS 20 Ca -0.05 0.75 -0.04 0.00 -0.15 0.00 0.00 55.06 55.57 2kco s HIS 20 Cb -0.07 -2.17 0.11 0.00 1.11 0.00 0.00 32.58 31.56 2kco s HIS 20 CO -0.01 0.24 0.72 2.89 -0.85 0.00 0.00 174.74 177.73 2kco n ARG 21 N -0.46 -0.24 -1.30 1.40 1.85 -1.26 -5.10 116.66 111.55 2kco n ARG 21 Ca -0.01 -1.56 -0.29 0.00 -1.00 0.00 0.00 57.85 54.99 2kco n ARG 21 Cb 0.53 -0.60 0.16 0.00 -1.05 0.00 0.00 32.46 31.50 2kco n ARG 21 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2kco s ASP 22 N -3.79 3.02 0.49 2.89 -4.77 -1.26 -5.07 116.67 108.19 2kco s ASP 22 Ca 0.44 1.14 -0.10 0.00 -3.30 0.00 0.00 52.55 50.73 2kco s ASP 22 Cb -0.02 -1.79 -0.05 0.00 -1.09 0.00 0.00 42.92 39.97 2kco s ASP 22 CO 0.30 -2.88 0.87 -0.54 0.70 0.00 0.00 175.17 173.62 2kco s LYS 23 N -5.07 3.71 -0.53 2.11 -0.14 -1.26 -5.06 119.74 113.49 2kco s LYS 23 Ca 0.65 0.54 -0.02 0.00 -1.36 0.00 0.00 55.97 55.78 2kco s LYS 23 Cb -0.17 -2.27 0.14 0.00 -1.68 0.00 0.00 37.83 33.84 2kco s LYS 23 CO 0.56 -0.24 0.33 1.03 -0.76 0.00 0.00 175.35 176.27 2kco s ARG 24 N -4.42 2.27 -0.17 1.68 1.81 -1.26 -5.08 118.95 113.78 2kco s ARG 24 Ca 0.52 -2.27 -0.18 0.00 -1.72 0.00 0.00 55.73 52.08 2kco s ARG 24 Cb -0.10 -3.62 -0.04 0.00 -0.45 0.00 0.00 34.95 30.74 2kco s ARG 24 CO 0.40 -1.12 0.49 0.21 -0.68 0.00 0.00 175.30 174.60 2kco s LYS 25 N 0.36 4.25 0.37 3.54 2.47 -1.26 -5.09 119.74 124.38 2kco s LYS 25 Ca 0.14 0.41 -0.15 0.00 -1.56 0.00 0.00 55.97 54.81 2kco s LYS 25 Cb -0.22 -3.51 -0.09 0.00 -1.46 0.00 0.00 37.83 32.56 2kco s LYS 25 CO -0.04 -0.02 0.80 0.71 0.16 0.00 0.00 175.35 176.96 2kco s TYR 26 N 1.21 3.38 0.36 4.03 1.51 -1.26 -5.07 117.35 121.52 2kco s TYR 26 Ca 0.24 1.27 -0.26 0.00 -1.01 0.00 0.00 57.07 57.32 2kco s TYR 26 Cb -0.15 -2.59 -0.09 0.00 -0.11 0.00 0.00 41.96 39.02 2kco s TYR 26 CO 0.10 -0.01 1.08 -1.21 -1.11 0.00 0.00 175.55 174.40 2kco s GLU 27 N -3.25 4.29 0.22 -0.62 8.01 -1.26 -5.02 118.70 121.06 2kco s GLU 27 Ca 0.55 1.64 -0.30 0.00 0.01 0.00 0.00 54.97 56.87 2kco s GLU 27 Cb -0.10 -2.75 -0.09 0.00 -4.31 0.00 0.00 34.13 26.88 2kco s GLU 27 CO 0.20 -0.06 1.37 0.42 0.01 0.00 0.00 175.26 177.20 2kco s ILE 28 N -1.48 2.96 0.00 -1.63 1.01 -1.26 -5.04 121.20 115.77 2kco s ILE 28 Ca 0.54 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.98 2kco s ILE 28 Cb -0.26 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2kco s ILE 28 CO 0.33 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2kco n GLY 29 N 2.36 0.26 3.78 6.18 0.00 -1.26 -5.02 105.19 111.49 2kco n GLY 29 Ca 0.07 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.14 7.33 1.03 1.61 0.01 -1.26 -5.09 114.94 117.43 2kco s ASN 30 Ca 0.00 1.71 -0.15 0.00 -0.71 0.00 0.00 52.86 53.71 2kco s ASN 30 Cb 0.00 -2.53 0.20 0.00 0.41 0.00 0.00 41.25 39.34 2kco s ASN 30 CO 0.00 0.06 1.13 -2.16 -1.51 0.00 0.00 177.10 174.63 2kco s PRO 31 N -1.67 0.18 1.40 -0.60 0.04 -1.26 -5.08 135.00 128.01 2kco s PRO 31 Ca 0.43 0.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.43 2kco s PRO 31 Cb -0.20 -1.74 0.36 0.00 0.04 0.00 0.00 34.50 32.96 2kco s PRO 31 CO 0.25 -2.82 0.94 -2.14 0.04 0.00 0.00 177.00 173.27 2kco s PRO 32 N -5.28 -2.78 0.95 0.56 0.02 -1.26 -5.04 135.00 122.16 2kco s PRO 32 Ca 0.67 0.18 -0.12 0.00 0.02 0.00 0.00 61.00 61.75 2kco s PRO 32 Cb -0.13 -1.39 0.16 0.00 0.02 0.00 0.00 34.50 33.15 2kco s PRO 32 CO 0.55 -4.79 1.12 0.95 -0.33 0.00 0.00 177.00 174.51 2kco s THR 33 N -2.31 2.05 1.02 0.99 -4.23 -1.26 -5.05 115.64 106.85 2kco s THR 33 Ca 0.69 0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 61.09 2kco s THR 33 Cb -0.14 -2.66 0.20 0.00 1.34 0.00 0.00 72.50 71.24 2kco s THR 33 CO 0.58 -0.02 1.09 0.72 -0.54 0.00 0.00 174.62 176.45 2kco s PHE 34 N -3.14 2.04 0.72 3.99 -0.71 -1.26 -5.04 117.98 114.58 2kco s PHE 34 Ca 0.64 0.96 -0.11 0.00 -1.04 0.00 0.00 56.93 57.39 2kco s PHE 34 Cb -0.16 -3.27 0.02 0.00 -1.21 0.00 0.00 43.02 38.40 2kco s PHE 34 CO 0.55 -3.00 1.07 0.95 -1.34 0.00 0.00 175.22 173.45 2kco s THR 35 N -2.95 3.79 0.72 -4.49 -4.23 -1.26 -5.09 115.64 102.13 2kco s THR 35 Ca 0.66 0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 61.69 2kco s THR 35 Cb -0.19 -3.33 0.09 0.00 1.34 0.00 0.00 72.50 70.41 2kco s THR 35 CO 0.58 -0.76 1.02 0.42 -0.54 0.00 0.00 174.62 175.34 2kco s THR 36 N -3.08 2.26 0.39 3.99 -4.23 -1.26 -5.14 115.64 108.57 2kco s THR 36 Ca 0.59 -0.36 0.05 0.00 -1.18 0.00 0.00 61.69 60.79 2kco s THR 36 Cb -0.14 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 2kco s THR 36 CO 0.55 0.00 0.03 -1.48 -0.54 0.00 0.00 174.62 173.18 2kco s LEU 37 N -5.24 2.57 -0.28 4.79 -0.00 -1.26 -5.07 118.68 114.19 2kco s LEU 37 Ca 0.63 -1.40 0.13 0.00 -0.00 0.00 0.00 54.13 53.48 2kco s LEU 37 Cb -0.09 -0.69 0.48 0.00 -0.00 0.00 0.00 46.19 45.90 2kco s LEU 37 CO 0.45 -0.55 1.16 -1.20 -0.00 0.00 0.00 176.35 176.21 2kco n SER 38 N -0.91 3.68 0.20 1.48 7.64 -1.26 -4.86 113.62 119.59 2kco n SER 38 Ca -0.05 -3.13 0.06 0.00 1.01 0.00 0.00 58.87 56.76 2kco n SER 38 Cb 0.67 -0.39 0.41 0.00 -1.01 0.00 0.00 64.21 63.88 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 2.31 1.12 -0.81 -0.43 0.00 -2.00 -2.37 119.26 117.08 2kco h ALA 39 Ca 0.18 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2kco h ALA 39 Cb 1.44 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 2kco h ALA 39 CO 0.54 0.42 0.37 0.93 0.00 0.00 0.00 179.25 181.51 2kco h GLU 40 N 0.00 1.18 -0.15 0.00 5.08 -2.00 -2.52 114.58 116.18 2kco h GLU 40 Ca -0.00 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 2kco h GLU 40 Cb 0.75 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2kco h GLU 40 CO 0.04 0.93 -0.37 -0.44 -1.00 0.00 0.00 179.01 178.18 2kco h ASP 41 N 1.16 0.32 -0.25 1.42 5.19 -1.84 -2.32 116.42 120.11 2kco h ASP 41 Ca 0.28 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2kco h ASP 41 Cb 0.15 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 2kco h ASP 41 CO -0.03 0.67 0.16 0.40 -3.12 0.00 0.00 179.24 177.31 2kco h ILE 42 N 0.27 1.09 0.00 0.35 2.04 -1.24 -2.89 117.51 117.12 2kco h ILE 42 Ca 0.03 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2kco h ILE 42 Cb 0.77 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2kco h ILE 42 CO 0.06 0.08 -0.14 0.03 0.00 0.00 0.00 178.15 178.19 2kco h ARG 43 N 0.32 0.00 0.08 2.37 2.47 -1.08 -0.17 114.38 118.37 2kco h ARG 43 Ca 0.09 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.55 2kco h ARG 43 Cb -0.00 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2kco h ARG 43 CO -0.02 0.14 -1.13 0.97 0.56 0.00 0.00 179.97 180.49 2kco h ILE 44 N 0.00 1.44 0.00 2.04 6.09 -1.44 -1.41 117.51 124.23 2kco h ILE 44 Ca -0.00 -2.76 0.00 0.00 -1.37 0.00 0.00 64.86 60.73 2kco h ILE 44 Cb 0.81 2.72 0.00 0.00 0.47 0.00 0.00 36.82 40.82 2kco h ILE 44 CO 0.02 0.81 0.00 0.29 -3.07 0.00 0.00 178.15 176.20 2kco n LYS 45 N -3.65 0.11 -0.01 2.19 4.76 -1.02 -2.79 118.16 117.76 2kco n LYS 45 Ca -0.08 0.20 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 2kco n LYS 45 Cb 0.95 -1.66 -0.14 0.00 -1.84 0.00 0.00 35.03 32.34 2kco n LYS 45 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2kco n ASP 46 N -1.86 1.25 0.19 4.39 2.03 -0.11 -3.55 116.55 118.90 2kco n ASP 46 Ca 0.05 0.36 0.04 0.00 0.52 0.00 0.00 54.79 55.75 2kco n ASP 46 Cb 0.30 -0.31 0.38 0.00 -0.72 0.00 0.00 41.12 40.77 2kco n ASP 46 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2kco h ARG 47 N 0.02 0.00 -1.00 -0.67 -0.00 -1.19 -2.39 114.38 109.15 2kco h ARG 47 Ca -0.32 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 59.72 2kco h ARG 47 Cb 2.02 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 31.92 2kco h ARG 47 CO 0.08 0.36 0.65 1.15 -0.00 0.00 0.00 179.97 182.21 2kco h THR 48 N 0.00 1.10 -2.79 0.08 2.02 -1.62 -3.43 112.91 108.27 2kco h THR 48 Ca -0.00 -0.41 -0.54 0.00 0.77 0.00 0.00 66.41 66.23 2kco h THR 48 Cb 0.67 -0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2kco h THR 48 CO 0.05 0.22 0.92 -0.22 0.37 0.00 0.00 175.52 176.85 2kco s LEU 49 N -10.15 4.34 0.00 2.58 2.96 -0.90 -4.80 118.68 112.70 2kco s LEU 49 Ca -0.12 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 2kco s LEU 49 Cb 0.20 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.33 2kco s LEU 49 CO 0.81 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 175.65 2kco n GLY 50 N 3.83 -0.24 1.00 7.98 0.00 -1.26 -5.01 105.19 111.49 2kco n GLY 50 Ca 0.15 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 -0.07 3.03 -0.02 0.00 -1.26 -5.09 105.19 101.78 2kco n GLY 51 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2kco n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kco s ASN 52 N -1.36 4.42 0.56 1.61 -0.87 -1.26 -5.13 114.94 112.92 2kco s ASN 52 Ca 0.00 -1.55 -0.18 0.00 -1.57 0.00 0.00 52.86 49.56 2kco s ASN 52 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.25 39.69 2kco s ASN 52 CO 0.00 -0.25 1.07 0.72 -2.57 0.00 0.00 177.10 176.07 2kco s PHE 53 N 1.11 2.91 0.64 2.20 -0.12 -1.26 -5.05 117.98 118.41 2kco s PHE 53 Ca -0.03 1.54 -0.09 0.00 -0.05 0.00 0.00 56.93 58.30 2kco s PHE 53 Cb -0.20 -3.08 0.01 0.00 -0.63 0.00 0.00 43.02 39.12 2kco s PHE 53 CO -0.06 -1.16 1.00 0.15 -0.05 0.00 0.00 175.22 175.09 2kco s LYS 54 N -3.72 2.93 0.73 1.99 1.02 -1.26 -5.06 119.74 116.37 2kco s LYS 54 Ca 0.66 0.24 -0.13 0.00 0.02 0.00 0.00 55.97 56.76 2kco s LYS 54 Cb -0.18 -2.15 0.04 0.00 -0.52 0.00 0.00 37.83 35.02 2kco s LYS 54 CO 0.31 -0.84 1.13 0.14 -0.92 0.00 0.00 175.35 175.17 2kco s VAL 55 N -3.17 2.96 0.10 3.17 -7.23 -1.26 -5.00 120.40 109.98 2kco s VAL 55 Ca 0.56 0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 60.83 2kco s VAL 55 Cb -0.11 -2.87 -0.06 0.00 0.56 0.00 0.00 36.38 33.90 2kco s VAL 55 CO 0.49 -0.32 1.10 -0.60 -0.31 0.00 0.00 175.10 175.46 2kco s ARG 56 N -4.31 4.55 0.88 4.82 6.06 -1.26 -5.05 118.95 124.63 2kco s ARG 56 Ca 0.67 1.66 -0.13 0.00 -2.50 0.00 0.00 55.73 55.43 2kco s ARG 56 Cb -0.22 -3.34 0.15 0.00 0.06 0.00 0.00 34.95 31.60 2kco s ARG 56 CO 0.47 -0.04 1.23 -0.51 -2.50 0.00 0.00 175.30 173.96 2kco s LEU 57 N 0.35 2.68 0.95 -0.88 1.02 -1.26 -5.10 118.68 116.45 2kco s LEU 57 Ca 0.53 0.38 -0.15 0.00 0.02 0.00 0.00 54.13 54.91 2kco s LEU 57 Cb -0.27 -2.63 0.18 0.00 0.02 0.00 0.00 46.19 43.48 2kco s LEU 57 CO 0.31 -2.33 1.24 -0.54 0.02 0.00 0.00 176.35 175.05 2kco s LYS 58 N -5.69 0.75 0.30 1.70 1.02 -1.26 -5.12 119.74 111.44 2kco s LYS 58 Ca 0.69 -0.15 0.10 0.00 0.02 0.00 0.00 55.97 56.62 2kco s LYS 58 Cb -0.07 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.35 2kco s LYS 58 CO 0.50 -2.38 -0.13 0.71 -0.92 0.00 0.00 175.35 173.13 2kco s TYR 59 N -3.62 2.24 0.04 3.18 2.02 -1.26 -5.16 117.35 114.79 2kco s TYR 59 Ca 0.70 -0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 56.87 2kco s TYR 59 Cb -0.08 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.27 2kco s TYR 59 CO 0.53 0.57 0.27 -0.08 -1.57 0.00 0.00 175.55 175.26 2kco s THR 60 N -2.67 5.30 0.36 -0.71 -1.32 -1.26 -5.08 115.64 110.27 2kco s THR 60 Ca 0.30 0.03 -0.27 0.00 -1.21 0.00 0.00 61.69 60.54 2kco s THR 60 Cb -0.00 -3.58 -0.09 0.00 -1.51 0.00 0.00 72.50 67.31 2kco s THR 60 CO 0.15 0.27 1.26 0.28 -2.21 0.00 0.00 174.62 174.36 2kco s THR 61 N -1.40 2.85 0.02 5.08 -1.32 -1.26 -4.98 115.64 114.63 2kco s THR 61 Ca 0.31 0.79 0.03 0.00 -1.21 0.00 0.00 61.69 61.61 2kco s THR 61 Cb -0.13 -3.48 -0.02 0.00 -1.51 0.00 0.00 72.50 67.36 2kco s THR 61 CO 0.20 0.14 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.77 2kco s THR 62 N -1.24 0.67 0.29 5.08 2.01 -1.26 -2.15 115.64 119.04 2kco s THR 62 Ca 0.53 -0.73 0.10 0.00 0.31 0.00 0.00 61.69 61.90 2kco s THR 62 Cb -0.37 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2kco s THR 62 CO 0.48 -0.07 -0.02 0.00 -0.69 0.00 0.00 174.62 174.31 2kco s ALA 63 N -0.74 3.13 -0.40 7.40 0.00 -0.23 -3.87 121.76 127.04 2kco s ALA 63 Ca -0.02 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.20 2kco s ALA 63 Cb -0.06 -0.60 0.12 0.00 0.00 0.00 0.00 23.12 22.57 2kco s ALA 63 CO 0.00 0.21 0.16 1.21 0.00 0.00 0.00 175.76 177.34 2kco s ASN 64 N -3.67 4.25 0.36 0.00 3.04 -0.46 -1.14 114.94 117.33 2kco s ASN 64 Ca 0.32 -2.39 -0.19 0.00 0.04 0.00 0.00 52.86 50.65 2kco s ASN 64 Cb -0.05 -1.35 -0.10 0.00 -1.54 0.00 0.00 41.25 38.22 2kco s ASN 64 CO 0.19 -0.32 0.85 -0.69 -3.04 0.00 0.00 177.10 174.09 2kco s VAL 65 N 0.61 4.50 -0.12 -5.21 1.01 0.48 -0.70 120.40 120.97 2kco s VAL 65 Ca 0.14 1.30 -0.03 0.00 0.00 0.00 0.00 61.98 63.38 2kco s VAL 65 Cb -0.22 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2kco s VAL 65 CO -0.07 -0.19 0.01 -0.22 0.00 0.00 0.00 175.10 174.63 2kco s LEU 66 N -2.91 3.58 -0.15 3.92 1.98 -0.29 0.30 118.68 125.11 2kco s LEU 66 Ca 0.57 0.09 -0.28 0.00 -2.89 0.00 0.00 54.13 51.61 2kco s LEU 66 Cb -0.11 -1.84 -0.01 0.00 0.66 0.00 0.00 46.19 44.89 2kco s LEU 66 CO 0.16 0.31 0.96 -1.81 -1.89 0.00 0.00 176.35 174.08 2kco s ASP 67 N -0.45 7.13 0.41 3.68 1.01 -0.19 -3.42 116.67 124.84 2kco s ASP 67 Ca 0.08 1.40 0.29 0.00 0.71 0.00 0.00 52.55 55.03 2kco s ASP 67 Cb -0.12 -2.52 1.28 0.00 1.01 0.00 0.00 42.92 42.57 2kco s ASP 67 CO 0.02 -0.47 1.87 1.55 0.21 0.00 0.00 175.17 178.34 2kco h PRO 68 N 7.23 0.00 0.00 8.23 0.13 -1.91 -1.64 132.00 144.04 2kco h PRO 68 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2kco h PRO 68 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kco h PRO 68 CO 0.87 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 178.46 2kco n ALA 69 N -1.92 0.16 1.05 -0.56 0.00 -1.26 -4.66 120.51 113.32 2kco n ALA 69 Ca 0.01 -0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.31 2kco n ALA 69 Cb 0.22 0.01 0.47 0.00 0.00 0.00 0.00 19.45 20.14 2kco n ALA 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kco n THR 70 N -2.94 0.00 -1.88 0.00 -2.24 -1.26 -4.93 114.28 101.03 2kco n THR 70 Ca -0.03 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 2kco n THR 70 Cb 0.09 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.44 -4.87 -4.55 3.42 2.85 -0.62 -4.99 115.26 105.06 2kco n ASN 71 Ca 0.07 0.19 -0.32 0.00 -0.11 0.00 0.00 54.58 54.42 2kco n ASN 71 Cb 0.33 -3.89 -0.11 0.00 1.24 0.00 0.00 39.78 37.35 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 -2.70 3.39 -0.28 -0.44 -4.23 -1.26 -4.82 115.64 105.30 2kco s THR 72 Ca 0.00 -0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 59.57 2kco s THR 72 Cb 0.00 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 2kco s THR 72 CO 0.00 0.41 0.15 0.00 -0.54 0.00 0.00 174.62 174.65 2kco s ALA 73 N -0.94 3.37 0.11 3.99 0.00 -1.26 -1.02 121.76 126.01 2kco s ALA 73 Ca 0.16 -1.19 0.05 0.00 0.00 0.00 0.00 51.96 50.98 2kco s ALA 73 Cb -0.11 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 2kco s ALA 73 CO 0.06 -0.64 0.03 -1.59 0.00 0.00 0.00 175.76 173.62 2kco s LYS 74 N 1.68 2.61 -0.30 0.00 -2.85 0.15 -4.94 119.74 116.10 2kco s LYS 74 Ca 0.06 -0.86 -0.00 0.00 -1.00 0.00 0.00 55.97 54.17 2kco s LYS 74 Cb -0.16 -2.55 0.06 0.00 -2.06 0.00 0.00 37.83 33.12 2kco s LYS 74 CO 0.08 0.52 -0.01 0.21 0.10 0.00 0.00 175.35 176.25 2kco s LYS 75 N -2.50 2.31 0.15 1.78 2.20 -1.26 -0.38 119.74 122.03 2kco s LYS 75 Ca 0.27 -1.35 0.07 0.00 -0.36 0.00 0.00 55.97 54.60 2kco s LYS 75 Cb -0.11 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 2kco s LYS 75 CO 0.19 -0.65 -0.15 0.14 -0.36 0.00 0.00 175.35 174.52 2kco s VAL 76 N 1.19 1.54 0.45 4.02 -7.23 -0.29 -4.95 120.40 115.14 2kco s VAL 76 Ca -0.05 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.01 2kco s VAL 76 Cb -0.20 -1.73 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 2kco s VAL 76 CO -0.03 -0.43 1.25 -0.75 -0.31 0.00 0.00 175.10 174.84 2kco s LYS 77 N -2.92 3.75 -0.16 4.82 2.36 -1.26 -1.07 119.74 125.26 2kco s LYS 77 Ca 0.14 2.00 -0.22 0.00 -2.55 0.00 0.00 55.97 55.34 2kco s LYS 77 Cb -0.04 -2.53 -0.03 0.00 -1.05 0.00 0.00 37.83 34.18 2kco s LYS 77 CO 0.05 -0.63 0.66 0.42 1.55 0.00 0.00 175.35 177.39 2kco s ILE 78 N -1.38 5.02 0.00 5.43 1.01 -0.91 -2.75 121.20 127.61 2kco s ILE 78 Ca 0.62 1.27 0.00 0.00 0.00 0.00 0.00 60.65 62.54 2kco s ILE 78 Cb -0.34 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.15 2kco s ILE 78 CO 0.43 0.14 0.00 0.18 0.00 0.00 0.00 174.94 175.69 2kco n LEU 79 N 4.72 1.06 -3.53 2.97 4.77 -0.10 -4.92 117.00 121.97 2kco n LEU 79 Ca -0.01 0.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 2kco n LEU 79 Cb 0.50 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2kco n LEU 79 CO 0.45 -0.28 0.54 -1.83 -1.33 0.00 0.00 177.39 174.94 2kco s GLU 80 N -0.56 0.93 -0.00 3.23 -1.05 -1.22 -4.97 118.70 115.06 2kco s GLU 80 Ca 0.00 0.18 -0.17 0.00 -0.15 0.00 0.00 54.97 54.82 2kco s GLU 80 Cb 0.00 0.44 -0.06 0.00 -0.44 0.00 0.00 34.13 34.07 2kco s GLU 80 CO 0.00 -0.30 0.49 0.96 0.95 0.00 0.00 175.26 177.36 2kco s ILE 81 N -1.34 4.96 -0.14 1.83 -0.00 -1.26 -0.50 121.20 124.75 2kco s ILE 81 Ca -0.07 1.02 -0.13 0.00 -0.00 0.00 0.00 60.65 61.46 2kco s ILE 81 Cb -0.00 -3.81 -0.04 0.00 -0.00 0.00 0.00 42.46 38.60 2kco s ILE 81 CO 0.06 0.50 -0.26 0.18 -0.00 0.00 0.00 174.94 175.43 2kco n LEU 82 N 2.27 1.51 -4.58 0.37 7.99 -0.90 -4.83 117.00 118.84 2kco n LEU 82 Ca -0.11 0.31 -0.41 0.00 -0.01 0.00 0.00 56.01 55.78 2kco n LEU 82 Cb 0.52 -0.71 -0.03 0.00 -0.11 0.00 0.00 43.42 43.09 2kco n LEU 82 CO 0.40 -0.34 1.40 -0.70 -1.51 0.00 0.00 177.39 176.64 2kco s GLU 83 N -2.43 3.20 -0.11 3.23 2.56 -1.25 -4.95 118.70 118.95 2kco s GLU 83 Ca -0.21 0.83 -0.30 0.00 0.00 0.00 0.00 54.97 55.29 2kco s GLU 83 Cb 0.03 -4.19 -0.01 0.00 2.00 0.00 0.00 34.13 31.96 2kco s GLU 83 CO 0.31 -2.04 1.06 -0.08 -0.56 0.00 0.00 175.26 173.96 2kco s THR 84 N 6.86 4.64 0.73 -1.70 -1.32 -1.26 -3.76 115.64 119.82 2kco s THR 84 Ca 0.64 1.92 -0.10 0.00 -1.21 0.00 0.00 61.69 62.94 2kco s THR 84 Cb -0.15 -4.24 0.04 0.00 -1.51 0.00 0.00 72.50 66.65 2kco s THR 84 CO 0.28 -0.03 1.09 -2.16 -2.21 0.00 0.00 174.62 171.59 2kco s PRO 85 N 2.26 2.45 0.38 7.08 0.04 -1.26 -4.97 135.00 140.97 2kco s PRO 85 Ca 0.50 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.81 2kco s PRO 85 Cb -0.19 -2.04 0.83 0.00 0.04 0.00 0.00 34.50 33.14 2kco s PRO 85 CO 0.17 -1.23 1.93 0.00 0.04 0.00 0.00 177.00 177.91 2kco h ALA 86 N -0.74 1.83 -0.54 8.56 0.00 -2.02 -2.13 119.26 124.21 2kco h ALA 86 Ca -0.45 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 53.98 2kco h ALA 86 Cb 1.29 -0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 2kco h ALA 86 CO 0.64 0.01 0.42 0.27 0.00 0.00 0.00 179.25 180.59 2kco n ASN 87 N -4.50 6.52 -0.23 0.00 6.94 -1.26 -4.65 115.26 118.08 2kco n ASN 87 Ca 0.13 -3.20 0.09 0.00 -0.02 0.00 0.00 54.58 51.58 2kco n ASN 87 Cb 0.35 -1.19 0.37 0.00 -2.36 0.00 0.00 39.78 36.95 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 2.64 0.70 -1.01 -3.83 -0.00 -1.76 -1.86 116.57 111.45 2kco h LYS 88 Ca 0.38 -0.04 0.25 0.00 -0.00 0.00 0.00 60.65 61.24 2kco h LYS 88 Cb 0.75 -0.16 -0.12 0.00 -0.00 0.00 0.00 32.23 32.70 2kco h LYS 88 CO 0.88 0.46 0.61 1.05 -0.00 0.00 0.00 179.45 182.45 2kco h GLU 89 N 0.72 0.54 0.09 0.07 4.11 -1.88 0.70 114.58 118.93 2kco h GLU 89 Ca 0.38 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.65 2kco h GLU 89 Cb 0.50 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2kco h GLU 89 CO -0.15 0.36 -0.55 -0.07 0.07 0.00 0.00 179.01 178.66 2kco h LEU 90 N 0.56 0.34 -2.62 3.06 3.38 -1.59 -3.30 115.31 115.13 2kco h LEU 90 Ca 0.64 -0.94 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2kco h LEU 90 Cb 1.27 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kco h LEU 90 CO -0.46 1.25 0.06 0.00 0.09 0.00 0.00 178.44 179.38 2kco h ALA 91 N 0.09 1.33 -0.39 1.53 0.00 -0.55 0.50 119.26 121.77 2kco h ALA 91 Ca -0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2kco h ALA 91 Cb 1.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2kco h ALA 91 CO 0.10 -0.08 -0.30 0.00 0.00 0.00 0.00 179.25 178.98 2kco h ARG 92 N 0.00 0.90 0.00 0.00 3.08 -0.98 -2.55 114.38 114.83 2kco h ARG 92 Ca 0.01 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2kco h ARG 92 Cb 0.13 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2kco h ARG 92 CO -0.00 1.09 0.00 0.54 -1.07 0.00 0.00 179.97 180.53 2kco n ARG 93 N -4.13 0.05 -0.05 0.04 1.74 -0.19 -4.88 116.66 109.23 2kco n ARG 93 Ca -0.02 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2kco n ARG 93 Cb 0.50 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.35 0.42 3.55 -0.13 0.00 -0.78 -4.80 105.19 103.80 2kco n GLY 94 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.13 4.11 0.13 -0.61 -1.09 -0.01 -4.80 121.20 116.80 2kco s ILE 95 Ca 0.00 -1.30 -0.06 0.00 -2.23 0.00 0.00 60.65 57.07 2kco s ILE 95 Cb 0.00 -5.07 -0.06 0.00 -1.58 0.00 0.00 42.46 35.75 2kco s ILE 95 CO 0.00 -1.91 0.38 -0.63 -1.23 0.00 0.00 174.94 171.54 2kco s ILE 96 N 4.36 5.16 0.09 2.92 1.01 -1.26 -1.87 121.20 131.61 2kco s ILE 96 Ca 0.47 0.11 0.01 0.00 0.00 0.00 0.00 60.65 61.24 2kco s ILE 96 Cb 0.01 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2kco s ILE 96 CO -0.04 0.09 0.22 -0.51 0.00 0.00 0.00 174.94 174.71 2kco s ILE 97 N -1.60 5.29 0.06 2.92 2.07 -1.26 -3.69 121.20 124.99 2kco s ILE 97 Ca 0.39 -0.52 -0.37 0.00 -1.41 0.00 0.00 60.65 58.73 2kco s ILE 97 Cb -0.12 -3.63 -0.18 0.00 0.13 0.00 0.00 42.46 38.66 2kco s ILE 97 CO 0.23 0.06 1.22 -1.14 -1.91 0.00 0.00 174.94 173.41 2kco n ARG 98 N 0.03 0.73 0.00 3.50 3.00 -1.18 -2.95 116.66 119.79 2kco n ARG 98 Ca -0.06 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 2kco n ARG 98 Cb 0.52 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 31.14 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kco n GLY 99 N 2.13 0.73 3.79 5.14 0.00 -0.91 -5.04 105.19 111.03 2kco n GLY 99 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 3.80 0.20 4.61 0.00 -1.15 -5.01 121.76 122.21 2kco s ALA 100 Ca 0.00 -1.93 0.10 0.00 0.00 0.00 0.00 51.96 50.14 2kco s ALA 100 Cb 0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2kco s ALA 100 CO 0.00 -0.21 -0.16 0.15 0.00 0.00 0.00 175.76 175.55 2kco s LYS 101 N -3.99 1.82 0.08 0.00 1.02 -1.25 -1.39 119.74 116.02 2kco s LYS 101 Ca 0.41 -1.43 -0.07 0.00 0.02 0.00 0.00 55.97 54.90 2kco s LYS 101 Cb 0.02 -1.99 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 2kco s LYS 101 CO 0.23 0.41 0.14 -1.50 -0.92 0.00 0.00 175.35 173.71 2kco s ILE 102 N -1.80 0.16 -0.11 2.17 2.07 -0.08 -2.12 121.20 121.49 2kco s ILE 102 Ca 0.24 -1.31 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 2kco s ILE 102 Cb -0.08 -1.37 -0.02 0.00 0.13 0.00 0.00 42.46 41.12 2kco s ILE 102 CO 0.13 -0.72 -0.15 -0.13 -1.91 0.00 0.00 174.94 172.16 2kco s ARG 103 N -3.86 3.16 0.51 3.50 0.52 0.34 -1.48 118.95 121.63 2kco s ARG 103 Ca 0.05 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 2kco s ARG 103 Cb 0.05 -2.53 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2kco s ARG 103 CO -0.11 0.30 0.05 0.95 0.02 0.00 0.00 175.30 176.51 2kco s THR 104 N 0.12 1.27 -0.29 0.02 -4.23 -0.42 -0.92 115.64 111.20 2kco s THR 104 Ca -0.07 -1.94 0.25 0.00 -1.18 0.00 0.00 61.69 58.75 2kco s THR 104 Cb -0.15 -2.21 0.27 0.00 1.34 0.00 0.00 72.50 71.75 2kco s THR 104 CO 0.05 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.57 2kco h GLU 105 N 1.30 0.00 0.00 3.99 4.39 -1.82 -3.25 114.58 119.19 2kco h GLU 105 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2kco h GLU 105 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2kco h GLU 105 CO 0.73 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 178.50 2kco h ALA 106 N 2.16 0.00 -3.00 3.43 0.00 -1.96 -3.51 119.26 116.38 2kco h ALA 106 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kco h ALA 106 Cb 0.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kco h ALA 106 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2kco n GLY 107 N 1.83 2.55 3.75 0.00 0.00 -1.23 -5.07 105.19 107.01 2kco n GLY 107 Ca -0.01 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 4.47 0.05 0.99 2.96 -1.25 -1.30 118.68 124.59 2kco s LEU 108 Ca 0.00 2.30 -0.02 0.00 -0.22 0.00 0.00 54.13 56.19 2kco s LEU 108 Cb 0.00 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 2kco s LEU 108 CO 0.00 -0.35 0.02 0.00 -1.32 0.00 0.00 176.35 174.70 2kco s ALA 109 N -0.40 0.26 -0.17 5.97 0.00 -0.55 -0.36 121.76 126.52 2kco s ALA 109 Ca 0.51 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 2kco s ALA 109 Cb -0.34 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2kco s ALA 109 CO 0.39 -0.34 -0.04 0.54 0.00 0.00 0.00 175.76 176.31 2kco s VAL 110 N -3.24 3.70 -0.37 0.00 0.11 -0.44 -0.90 120.40 119.26 2kco s VAL 110 Ca 0.01 -0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 2kco s VAL 110 Cb 0.03 -2.63 0.00 0.00 -1.53 0.00 0.00 36.38 32.25 2kco s VAL 110 CO -0.08 0.47 1.49 0.68 -3.33 0.00 0.00 175.10 174.34 2kco s VAL 111 N 0.66 3.82 -1.10 2.04 -7.23 -0.49 -0.92 120.40 117.18 2kco s VAL 111 Ca -0.03 0.86 0.16 0.00 -1.81 0.00 0.00 61.98 61.16 2kco s VAL 111 Cb -0.15 -4.05 0.49 0.00 0.56 0.00 0.00 36.38 33.23 2kco s VAL 111 CO 0.02 -0.63 1.41 1.07 -0.31 0.00 0.00 175.10 176.67 2kco n THR 112 N 7.01 1.32 -4.14 5.32 5.66 -0.70 -2.14 114.28 126.61 2kco n THR 112 Ca 0.18 -1.15 -0.10 0.00 -3.05 0.00 0.00 64.05 59.93 2kco n THR 112 Cb 0.47 0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.49 2kco n THR 112 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kco s SER 113 N -1.10 0.23 0.71 1.09 0.01 -1.11 -4.97 113.70 108.56 2kco s SER 113 Ca 0.37 -1.22 -0.12 0.00 1.31 0.00 0.00 55.95 56.29 2kco s SER 113 Cb 0.22 0.34 0.02 0.00 0.21 0.00 0.00 66.02 66.81 2kco s SER 113 CO 0.21 -0.78 1.08 0.00 0.41 0.00 0.00 173.24 174.15 2kco s ARG 114 N -4.07 2.70 -0.01 12.44 1.70 -1.26 -3.10 118.95 127.35 2kco s ARG 114 Ca 0.27 1.12 -0.30 0.00 -0.47 0.00 0.00 55.73 56.36 2kco s ARG 114 Cb 0.07 -1.95 -0.07 0.00 -0.57 0.00 0.00 34.95 32.42 2kco s ARG 114 CO 0.04 -1.30 1.77 -1.25 -1.08 0.00 0.00 175.30 173.48 2kco s PRO 115 N -4.75 4.17 0.83 3.89 0.04 -1.24 -4.41 135.00 133.52 2kco s PRO 115 Ca 0.61 2.36 -0.12 0.00 0.04 0.00 0.00 61.00 63.89 2kco s PRO 115 Cb -0.16 -4.01 0.09 0.00 0.04 0.00 0.00 34.50 30.45 2kco s PRO 115 CO 0.51 -0.88 1.10 0.20 0.04 0.00 0.00 177.00 177.98 2kco s GLY 116 N 3.65 1.62 0.52 0.56 0.00 -1.15 -4.96 107.32 107.56 2kco s GLY 116 Ca 0.79 -0.21 0.34 0.00 0.00 0.00 0.00 44.72 45.64 2kco s GLY 116 CO 0.34 0.24 2.03 1.46 0.00 0.00 0.00 173.10 177.17 2kco h GLN 117 N -1.22 0.00 0.00 2.90 4.20 -1.95 -1.75 115.11 117.29 2kco h GLN 117 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2kco h GLN 117 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2kco h GLN 117 CO 0.59 0.00 0.00 -3.47 -0.67 0.00 0.00 178.83 175.28 2kco n ASP 118 N -2.90 0.37 0.00 1.46 2.03 -1.26 -4.88 116.55 111.37 2kco n ASP 118 Ca -0.00 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2kco n ASP 118 Cb 0.21 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.12 1.25 3.61 0.27 0.00 -0.66 -5.03 105.19 104.52 2kco n GLY 119 Ca 0.02 0.00 -0.34 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 -3.45 4.32 -0.13 1.61 1.01 -1.26 -4.72 120.40 117.78 2kco s VAL 120 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2kco s VAL 120 Cb 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 2kco s VAL 120 CO 0.00 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 174.94 2kco s ILE 121 N -0.16 3.68 0.05 2.22 1.09 -1.25 -2.94 121.20 123.89 2kco s ILE 121 Ca 0.05 -0.44 -0.26 0.00 -1.10 0.00 0.00 60.65 58.89 2kco s ILE 121 Cb -0.13 -2.58 -0.05 0.00 -1.06 0.00 0.00 42.46 38.64 2kco s ILE 121 CO 0.02 0.52 0.81 0.20 -0.10 0.00 0.00 174.94 176.39 2kco s ASN 122 N 0.11 7.26 0.26 3.58 -0.87 -1.26 -1.35 114.94 122.67 2kco s ASN 122 Ca -0.02 1.51 0.03 0.00 -1.57 0.00 0.00 52.86 52.81 2kco s ASN 122 Cb -0.14 -2.49 -0.05 0.00 -0.02 0.00 0.00 41.25 38.54 2kco s ASN 122 CO 0.03 -0.03 0.05 0.00 -2.57 0.00 0.00 177.10 174.58 2kco s ALA 123 N 0.08 1.92 -0.05 0.60 0.00 0.12 -1.72 121.76 122.71 2kco s ALA 123 Ca 0.41 -1.87 0.02 0.00 0.00 0.00 0.00 51.96 50.51 2kco s ALA 123 Cb -0.21 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.64 2kco s ALA 123 CO 0.24 -0.33 -0.09 0.08 0.00 0.00 0.00 175.76 175.66 2kco s VAL 124 N -3.50 0.83 -0.08 0.00 1.01 -0.09 -1.14 120.40 117.43 2kco s VAL 124 Ca 0.33 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 2kco s VAL 124 Cb 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 2kco s VAL 124 CO 0.12 0.28 1.89 -0.76 0.00 0.00 0.00 175.10 176.63 2kco s LEU 125 N 0.62 4.13 0.29 3.92 1.43 -1.22 -1.33 118.68 126.52 2kco s LEU 125 Ca -0.11 2.25 0.14 0.00 -1.03 0.00 0.00 54.13 55.38 2kco s LEU 125 Cb -0.14 -3.53 0.33 0.00 0.03 0.00 0.00 46.19 42.89 2kco s LEU 125 CO 0.02 -1.24 1.57 -0.07 0.23 0.00 0.00 176.35 176.86 2kco h LEU 126 N 11.57 0.00 0.00 1.79 3.38 -1.02 -3.43 115.31 127.61 2kco h LEU 126 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2kco h LEU 126 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kco h LEU 126 CO 0.96 0.57 0.00 1.17 0.09 0.00 0.00 178.44 181.22 2kco n LYS 127 N -3.50 0.00 -1.63 1.13 4.81 -0.45 -4.87 118.16 113.65 2kco n LYS 127 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 56.94 2kco n LYS 127 Cb 0.65 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.65 2kco n LYS 127 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kco n ASN 128 N 1.62 2.40 -4.77 3.14 3.02 -1.26 -3.93 115.26 115.48 2kco n ASN 128 Ca 0.00 1.09 -0.41 0.00 -0.03 0.00 0.00 54.58 55.23 2kco n ASN 128 Cb 0.00 -1.30 -0.01 0.00 -0.61 0.00 0.00 39.78 37.86 2kco n ASN 128 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2kco s GLU 129 N 1.02 4.18 -0.94 3.52 2.56 -1.26 -4.75 118.70 123.02 2kco s GLU 129 Ca 0.83 2.46 -0.25 0.00 0.00 0.00 0.00 54.97 58.02 2kco s GLU 129 Cb -0.83 -3.02 -0.09 0.00 2.00 0.00 0.00 34.13 32.19 2kco s GLU 129 CO 0.44 -0.47 2.07 0.45 -0.56 0.00 0.00 175.26 177.19 2kco s SER 130 N -0.02 4.68 -0.91 -1.70 0.15 -1.26 -4.90 113.70 109.75 2kco s SER 130 Ca 0.55 -0.71 -0.24 0.00 0.70 0.00 0.00 55.95 56.25 2kco s SER 130 Cb -0.45 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.25 2kco s SER 130 CO 0.55 -3.24 1.93 -1.10 1.20 0.00 0.00 173.24 172.58 2kco s GLN 131 N 7.48 2.59 0.00 5.44 -1.52 -1.26 -3.99 119.66 128.39 2kco s GLN 131 Ca 0.76 -0.32 0.00 0.00 -1.95 0.00 0.00 55.36 53.85 2kco s GLN 131 Cb -0.07 -5.07 0.00 0.00 -0.22 0.00 0.00 33.01 27.65 2kco s GLN 131 CO 0.05 -3.35 0.00 -2.13 -0.25 0.00 0.00 175.29 169.62 2kco n ARG 132 N 8.85 0.00 0.00 2.91 0.63 -1.26 -5.32 116.66 122.47 2kco n ARG 132 Ca 0.40 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.47 2kco n ARG 132 Cb 0.47 -0.04 0.56 0.00 0.45 0.00 0.00 32.46 33.91 2kco n ARG 132 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55