#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 -0.44 3.67 3.17 0.00 -1.26 -5.13 105.19 105.19 2kco n GLY 2 Ca 0.00 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 3.42 0.34 1.61 5.36 -1.26 -5.03 117.98 120.42 2kco s PHE 3 Ca 0.00 1.18 -0.05 0.00 -0.96 0.00 0.00 56.93 57.10 2kco s PHE 3 Cb 0.00 -2.95 0.02 0.00 -0.34 0.00 0.00 43.02 39.75 2kco s PHE 3 CO 0.00 -0.20 0.54 2.48 -1.46 0.00 0.00 175.22 176.58 2kco n TYR 4 N 5.07 -1.66 -3.55 10.12 4.11 -1.26 -5.20 117.16 124.79 2kco n TYR 4 Ca 0.03 -2.05 -0.17 0.00 -0.00 0.00 0.00 57.90 55.70 2kco n TYR 4 Cb 0.49 0.62 -0.06 0.00 -0.00 0.00 0.00 39.34 40.39 2kco n TYR 4 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 2kco s GLN 5 N -2.54 1.00 0.00 -3.48 0.74 -1.26 -5.19 119.66 108.93 2kco s GLN 5 Ca 0.23 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.93 2kco s GLN 5 Cb -0.02 0.47 0.00 0.00 1.10 0.00 0.00 33.01 34.56 2kco s GLN 5 CO 0.17 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 2kco n GLY 6 N 1.11 1.09 3.56 2.59 0.00 -1.26 -4.91 105.19 107.37 2kco n GLY 6 Ca -0.19 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2kco n GLY 6 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kco s PRO 7 N 0.99 2.52 0.06 1.61 0.02 -1.26 -4.94 135.00 134.01 2kco s PRO 7 Ca 0.00 1.00 -0.31 0.00 0.02 0.00 0.00 61.00 61.72 2kco s PRO 7 Cb 0.00 -4.44 -0.09 0.00 0.02 0.00 0.00 34.50 30.00 2kco s PRO 7 CO 0.00 -2.82 1.73 0.34 -0.33 0.00 0.00 177.00 175.92 2kco s ASP 8 N 9.33 6.55 -0.09 2.53 2.15 -1.26 -5.01 116.67 130.87 2kco s ASP 8 Ca 0.80 2.55 0.02 0.00 0.43 0.00 0.00 52.55 56.35 2kco s ASP 8 Cb -0.16 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2kco s ASP 8 CO 0.24 -0.94 -0.15 0.21 -0.17 0.00 0.00 175.17 174.36 2kco s ASN 9 N 2.84 2.29 -0.05 -0.34 3.84 -1.26 -5.14 114.94 117.12 2kco s ASN 9 Ca 0.77 -0.40 0.06 0.00 0.21 0.00 0.00 52.86 53.50 2kco s ASN 9 Cb -0.41 -1.04 -0.01 0.00 -0.55 0.00 0.00 41.25 39.24 2kco s ASN 9 CO 0.34 0.05 -0.23 -0.13 -2.79 0.00 0.00 177.10 174.34 2kco s ARG 10 N 0.76 2.24 0.63 0.43 1.81 -1.26 -5.14 118.95 118.42 2kco s ARG 10 Ca -0.12 -0.82 -0.16 0.00 -1.72 0.00 0.00 55.73 52.91 2kco s ARG 10 Cb -0.16 -1.95 -0.02 0.00 -0.45 0.00 0.00 34.95 32.38 2kco s ARG 10 CO 0.02 0.37 1.13 -1.59 -0.68 0.00 0.00 175.30 174.55 2kco s LYS 11 N -0.18 2.91 0.45 3.54 0.00 -1.26 -5.08 119.74 120.12 2kco s LYS 11 Ca -0.01 1.50 0.05 0.00 0.00 0.00 0.00 55.97 57.51 2kco s LYS 11 Cb -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 37.83 35.70 2kco s LYS 11 CO 0.03 -1.18 0.05 0.96 0.00 0.00 0.00 175.35 175.21 2kco s ILE 12 N -2.12 1.76 -0.09 3.79 -5.25 -1.26 -5.16 121.20 112.87 2kco s ILE 12 Ca 0.70 -1.93 -0.01 0.00 -0.99 0.00 0.00 60.65 58.42 2kco s ILE 12 Cb -0.23 -2.68 0.03 0.00 2.95 0.00 0.00 42.46 42.53 2kco s ILE 12 CO 0.37 0.00 -0.04 -0.89 -1.79 0.00 0.00 174.94 172.60 2kco s THR 13 N -2.75 0.68 -0.41 8.37 2.01 -1.26 -5.11 115.64 117.17 2kco s THR 13 Ca 0.26 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.21 2kco s THR 13 Cb 0.06 -0.77 0.12 0.00 0.01 0.00 0.00 72.50 71.91 2kco s THR 13 CO 0.14 0.31 0.18 -0.83 -0.69 0.00 0.00 174.62 173.73 2kco s GLY 14 N 1.84 1.78 0.77 4.40 0.00 -1.26 -5.12 107.32 109.73 2kco s GLY 14 Ca 0.05 -2.56 -0.11 0.00 0.00 0.00 0.00 44.72 42.10 2kco s GLY 14 CO -0.07 1.33 1.11 -0.32 0.00 0.00 0.00 173.10 175.15 2kco s GLY 15 N 0.56 1.78 -0.18 0.20 0.00 -1.26 -5.06 107.32 103.36 2kco s GLY 15 Ca 0.15 0.38 -0.02 0.00 0.00 0.00 0.00 44.72 45.23 2kco s GLY 15 CO -0.06 0.74 0.01 -2.27 0.00 0.00 0.00 173.10 171.52 2kco s LEU 16 N -5.81 1.33 -0.15 0.66 2.96 -1.26 -5.11 118.68 111.29 2kco s LEU 16 Ca 0.63 -0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2kco s LEU 16 Cb -0.19 -0.68 0.06 0.00 0.50 0.00 0.00 46.19 45.88 2kco s LEU 16 CO 0.53 -0.27 0.36 -0.75 -1.32 0.00 0.00 176.35 174.90 2kco s LYS 17 N 1.79 0.32 0.00 1.98 2.20 -1.26 -5.18 119.74 119.59 2kco s LYS 17 Ca -0.01 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2kco s LYS 17 Cb -0.17 -0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.15 2kco s LYS 17 CO -0.07 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 2kco n GLY 18 N 4.51 -1.42 3.28 5.54 0.00 -1.26 -5.13 105.19 110.71 2kco n GLY 18 Ca -0.20 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.07 2kco n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kco s LYS 19 N -1.59 1.62 0.20 1.61 0.00 -1.26 -5.19 119.74 115.14 2kco s LYS 19 Ca 0.00 -1.89 0.09 0.00 0.00 0.00 0.00 55.97 54.17 2kco s LYS 19 Cb 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 37.83 38.10 2kco s LYS 19 CO 0.00 -0.59 -0.17 -1.01 0.00 0.00 0.00 175.35 173.58 2kco s HIS 20 N -3.62 1.89 0.32 1.78 3.76 -1.26 -5.17 115.29 113.00 2kco s HIS 20 Ca 0.40 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.88 2kco s HIS 20 Cb 0.03 -0.89 0.05 0.00 1.11 0.00 0.00 32.58 32.89 2kco s HIS 20 CO 0.23 0.42 0.44 2.89 -0.85 0.00 0.00 174.74 177.87 2kco n ARG 21 N -0.14 0.79 -4.25 1.40 1.85 -1.26 -5.16 116.66 109.90 2kco n ARG 21 Ca -0.10 -1.76 -0.14 0.00 -1.00 0.00 0.00 57.85 54.86 2kco n ARG 21 Cb 0.59 -0.12 -0.10 0.00 -1.05 0.00 0.00 32.46 31.78 2kco n ARG 21 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2kco s ASP 22 N -3.00 1.74 -1.18 2.89 2.15 -1.26 -5.07 116.67 112.95 2kco s ASP 22 Ca 0.33 -1.03 -0.22 0.00 0.43 0.00 0.00 52.55 52.06 2kco s ASP 22 Cb -0.03 0.00 -0.03 0.00 -0.30 0.00 0.00 42.92 42.56 2kco s ASP 22 CO 0.21 -0.36 1.86 -0.54 -0.17 0.00 0.00 175.17 176.17 2kco s LYS 23 N -3.76 2.97 0.23 4.34 3.01 -1.26 -4.96 119.74 120.31 2kco s LYS 23 Ca 0.17 -1.31 -0.30 0.00 -1.01 0.00 0.00 55.97 53.52 2kco s LYS 23 Cb 0.03 -5.31 -0.09 0.00 -1.01 0.00 0.00 37.83 31.44 2kco s LYS 23 CO 0.01 -3.35 1.36 -0.98 0.51 0.00 0.00 175.35 172.90 2kco s ARG 24 N 5.82 4.34 -0.36 1.68 1.70 -1.26 -4.99 118.95 125.88 2kco s ARG 24 Ca 0.63 2.17 -0.23 0.00 -0.47 0.00 0.00 55.73 57.83 2kco s ARG 24 Cb 0.00 -3.15 0.01 0.00 -0.57 0.00 0.00 34.95 31.24 2kco s ARG 24 CO 0.09 -0.31 0.79 0.21 -1.08 0.00 0.00 175.30 175.00 2kco s LYS 25 N -0.36 3.79 0.19 3.89 2.47 -1.26 -5.02 119.74 123.44 2kco s LYS 25 Ca 0.57 0.37 -0.01 0.00 -1.56 0.00 0.00 55.97 55.34 2kco s LYS 25 Cb -0.39 -3.80 0.00 0.00 -1.46 0.00 0.00 37.83 32.19 2kco s LYS 25 CO 0.41 -0.83 0.26 2.48 0.16 0.00 0.00 175.35 177.83 2kco n TYR 26 N 6.41 -0.95 -2.04 4.03 4.11 -1.26 -5.13 117.16 122.33 2kco n TYR 26 Ca 0.03 -1.30 -0.42 0.00 -0.00 0.00 0.00 57.90 56.21 2kco n TYR 26 Cb 0.48 0.29 -0.03 0.00 -0.00 0.00 0.00 39.34 40.09 2kco n TYR 26 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2kco s GLU 27 N -2.46 4.05 -0.16 -3.48 2.02 -1.26 -4.92 118.70 112.49 2kco s GLU 27 Ca 0.16 2.03 -0.29 0.00 0.02 0.00 0.00 54.97 56.89 2kco s GLU 27 Cb -0.00 -4.00 -0.05 0.00 0.10 0.00 0.00 34.13 30.17 2kco s GLU 27 CO 0.12 -1.00 1.93 0.42 0.02 0.00 0.00 175.26 176.75 2kco s ILE 28 N 4.46 3.26 0.00 -1.63 -1.09 -1.26 -4.69 121.20 120.25 2kco s ILE 28 Ca 0.73 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 2kco s ILE 28 Cb -0.31 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2kco s ILE 28 CO 0.29 -0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 2kco n GLY 29 N 5.07 -0.57 3.74 6.18 0.00 -1.26 -5.12 105.19 113.24 2kco n GLY 29 Ca 0.23 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.00 6.99 -0.22 1.61 2.20 -1.26 -5.06 114.94 115.20 2kco s ASN 30 Ca 0.00 1.18 -0.29 0.00 -0.94 0.00 0.00 52.86 52.81 2kco s ASN 30 Cb 0.00 -2.39 -0.01 0.00 -2.00 0.00 0.00 41.25 36.86 2kco s ASN 30 CO 0.00 0.01 1.23 -2.16 -2.94 0.00 0.00 177.10 173.25 2kco s PRO 31 N 0.22 4.14 -0.54 3.55 0.04 -1.26 -4.97 135.00 136.17 2kco s PRO 31 Ca 0.34 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 2kco s PRO 31 Cb -0.18 -3.78 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2kco s PRO 31 CO 0.18 -0.82 2.01 -1.25 0.04 0.00 0.00 177.00 177.15 2kco s PRO 32 N 3.65 2.56 -0.60 0.56 0.04 -1.26 -4.93 135.00 135.02 2kco s PRO 32 Ca 0.53 0.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 2kco s PRO 32 Cb -0.19 -4.42 0.16 0.00 0.04 0.00 0.00 34.50 30.08 2kco s PRO 32 CO 0.16 -2.78 0.43 0.99 0.04 0.00 0.00 177.00 175.83 2kco s THR 33 N 9.69 3.84 -0.00 1.26 2.01 -1.26 -5.08 115.64 126.09 2kco s THR 33 Ca 0.77 -2.72 -0.27 0.00 0.31 0.00 0.00 61.69 59.78 2kco s THR 33 Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 2kco s THR 33 CO 0.24 -0.86 0.87 -0.36 -0.69 0.00 0.00 174.62 173.82 2kco s PHE 34 N 0.22 3.66 0.05 4.92 0.08 -1.26 -5.05 117.98 120.60 2kco s PHE 34 Ca 0.15 1.54 -0.30 0.00 0.12 0.00 0.00 56.93 58.44 2kco s PHE 34 Cb -0.20 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2kco s PHE 34 CO -0.04 0.07 0.98 -0.08 -0.10 0.00 0.00 175.22 176.06 2kco s THR 35 N 0.72 4.67 0.00 0.64 -1.32 -1.26 -5.01 115.64 114.09 2kco s THR 35 Ca 0.45 2.04 0.00 0.00 -1.21 0.00 0.00 61.69 62.98 2kco s THR 35 Cb -0.20 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.48 2kco s THR 35 CO 0.25 0.23 0.00 0.35 -2.21 0.00 0.00 174.62 173.23 2kco n THR 36 N 3.41 0.00 -3.85 5.08 -2.24 -1.26 -5.12 114.28 110.30 2kco n THR 36 Ca 0.04 0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 62.13 2kco n THR 36 Cb 0.50 -1.28 -0.01 0.00 -2.10 0.00 0.00 70.33 67.43 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 -4.03 -0.21 -0.09 3.22 0.05 -1.26 -5.02 118.68 111.34 2kco s LEU 37 Ca 0.00 -0.71 0.14 0.00 0.05 0.00 0.00 54.13 53.60 2kco s LEU 37 Cb 0.00 2.75 0.21 0.00 -2.05 0.00 0.00 46.19 47.10 2kco s LEU 37 CO 0.00 -1.41 1.10 -0.24 -0.55 0.00 0.00 176.35 175.25 2kco n SER 38 N -0.65 1.84 0.27 1.48 2.88 -1.26 -4.84 113.62 113.35 2kco n SER 38 Ca -0.05 -2.76 0.15 0.00 -1.33 0.00 0.00 58.87 54.88 2kco n SER 38 Cb 0.59 -0.35 0.76 0.00 -0.75 0.00 0.00 64.21 64.47 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kco h ALA 39 N 0.00 1.17 -0.57 -1.46 0.00 -1.99 -2.47 119.26 113.93 2kco h ALA 39 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kco h ALA 39 Cb 1.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2kco h ALA 39 CO 0.00 0.11 0.36 0.93 0.00 0.00 0.00 179.25 180.65 2kco h GLU 40 N 0.00 0.76 -0.39 0.00 5.08 -1.98 0.12 114.58 118.17 2kco h GLU 40 Ca -0.00 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2kco h GLU 40 Cb 0.36 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2kco h GLU 40 CO 0.01 0.53 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.99 2kco h ASP 41 N 0.78 0.68 1.12 1.42 5.19 -1.85 -1.19 116.42 122.58 2kco h ASP 41 Ca 0.21 -0.20 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 2kco h ASP 41 Cb -0.05 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.26 2kco h ASP 41 CO -0.04 0.83 -0.36 0.40 -3.12 0.00 0.00 179.24 176.95 2kco h ILE 42 N 0.63 0.74 0.00 0.35 2.04 -1.34 -2.54 117.51 117.39 2kco h ILE 42 Ca 0.11 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 2kco h ILE 42 Cb 0.57 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2kco h ILE 42 CO 0.04 0.35 -0.39 0.03 0.00 0.00 0.00 178.15 178.18 2kco h ARG 43 N 0.00 0.00 0.03 2.37 2.47 -0.28 0.43 114.38 119.41 2kco h ARG 43 Ca -0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 2kco h ARG 43 Cb 1.02 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 2kco h ARG 43 CO 0.05 0.12 -1.15 0.97 0.56 0.00 0.00 179.97 180.52 2kco h ILE 44 N 0.00 1.56 0.00 2.04 6.09 -1.18 -0.99 117.51 125.04 2kco h ILE 44 Ca -0.01 -3.25 -0.04 0.00 -1.37 0.00 0.00 64.86 60.19 2kco h ILE 44 Cb 1.11 2.83 -0.01 0.00 0.47 0.00 0.00 36.82 41.22 2kco h ILE 44 CO 0.02 0.91 -0.18 0.50 -3.07 0.00 0.00 178.15 176.32 2kco h LYS 45 N 0.02 0.00 0.00 2.19 1.63 -1.34 -2.70 116.57 116.36 2kco h LYS 45 Ca -0.08 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.53 2kco h LYS 45 Cb 1.85 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.45 2kco h LYS 45 CO 0.14 0.18 -1.13 0.22 -3.45 0.00 0.00 179.45 175.42 2kco h ASP 46 N 0.00 0.00 -0.38 4.20 3.58 -0.75 -3.05 116.42 120.02 2kco h ASP 46 Ca -0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 2kco h ASP 46 Cb 0.53 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2kco h ASP 46 CO 0.02 0.79 -0.23 0.08 -2.88 0.00 0.00 179.24 177.03 2kco h ARG 47 N 0.00 0.89 0.00 0.28 0.11 -0.86 -2.64 114.38 112.16 2kco h ARG 47 Ca -0.10 -0.37 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2kco h ARG 47 Cb 1.69 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.74 2kco h ARG 47 CO 0.09 1.02 -0.05 -2.37 0.10 0.00 0.00 179.97 178.75 2kco n THR 48 N -4.11 0.05 0.15 0.08 5.66 -1.12 -3.66 114.28 111.33 2kco n THR 48 Ca 0.00 -0.03 -0.07 0.00 -3.05 0.00 0.00 64.05 60.90 2kco n THR 48 Cb 0.45 -0.43 -0.03 0.00 -1.55 0.00 0.00 70.33 68.76 2kco n THR 48 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2kco h LEU 49 N 0.00 -0.39 0.00 1.09 5.85 -1.36 -3.49 115.31 117.01 2kco h LEU 49 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kco h LEU 49 Cb 0.52 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2kco h LEU 49 CO 0.00 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 2kco n GLY 50 N 0.59 0.45 7.00 3.75 0.00 -1.06 -4.91 105.19 111.01 2kco n GLY 50 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.52 0.80 3.78 -0.02 0.00 -1.26 -4.70 105.19 101.28 2kco n GLY 51 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 2kco n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s ASN 52 N -4.00 6.42 -0.13 1.61 4.22 -1.26 -5.10 114.94 116.70 2kco s ASN 52 Ca 0.00 0.50 -0.03 0.00 -2.14 0.00 0.00 52.86 51.18 2kco s ASN 52 Cb 0.00 -2.14 -0.03 0.00 1.28 0.00 0.00 41.25 40.36 2kco s ASN 52 CO 0.00 0.23 0.00 0.12 -2.04 0.00 0.00 177.10 175.41 2kco s PHE 53 N -0.17 3.14 -0.15 1.54 5.36 -1.26 -4.94 117.98 121.49 2kco s PHE 53 Ca 0.15 0.02 -0.10 0.00 -0.96 0.00 0.00 56.93 56.04 2kco s PHE 53 Cb -0.13 -1.90 0.04 0.00 -0.34 0.00 0.00 43.02 40.70 2kco s PHE 53 CO 0.04 0.25 0.21 1.17 -1.46 0.00 0.00 175.22 175.43 2kco n LYS 54 N 2.84 -4.80 -2.22 10.12 4.81 -1.26 -4.94 118.16 122.71 2kco n LYS 54 Ca -0.18 3.57 -0.41 0.00 -0.87 0.00 0.00 58.31 60.43 2kco n LYS 54 Cb 0.53 -5.06 -0.03 0.00 0.02 0.00 0.00 35.03 30.49 2kco n LYS 54 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2kco s VAL 55 N -0.66 3.08 0.20 3.15 1.01 -1.26 -5.04 120.40 120.89 2kco s VAL 55 Ca -0.24 0.98 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 2kco s VAL 55 Cb 0.02 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 2kco s VAL 55 CO 0.65 0.19 0.53 -0.13 0.00 0.00 0.00 175.10 176.34 2kco s ARG 56 N -0.85 3.81 0.22 2.72 0.52 -1.26 -5.08 118.95 119.03 2kco s ARG 56 Ca 0.52 0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.71 2kco s ARG 56 Cb -0.37 -2.72 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 2kco s ARG 56 CO 0.43 0.36 1.17 -0.51 0.02 0.00 0.00 175.30 176.78 2kco s LEU 57 N -2.63 4.48 -0.12 2.53 2.01 -1.26 -5.00 118.68 118.68 2kco s LEU 57 Ca 0.45 2.26 -0.10 0.00 0.01 0.00 0.00 54.13 56.75 2kco s LEU 57 Cb -0.12 -3.61 -0.03 0.00 0.01 0.00 0.00 46.19 42.43 2kco s LEU 57 CO 0.21 -0.30 -0.19 0.29 1.01 0.00 0.00 176.35 177.36 2kco n LYS 58 N 2.01 0.39 -3.62 1.70 4.01 -1.26 -5.08 118.16 116.31 2kco n LYS 58 Ca 0.02 0.37 -0.12 0.00 -0.51 0.00 0.00 58.31 58.07 2kco n LYS 58 Cb 0.45 -1.42 -0.05 0.00 -0.51 0.00 0.00 35.03 33.49 2kco n LYS 58 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2kco s TYR 59 N -2.19 -0.29 -0.01 2.13 5.04 -1.26 -5.18 117.35 115.59 2kco s TYR 59 Ca -0.16 0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.69 2kco s TYR 59 Cb 0.02 0.28 -0.03 0.00 0.35 0.00 0.00 41.96 42.59 2kco s TYR 59 CO 0.23 -0.66 -0.20 -0.08 -1.34 0.00 0.00 175.55 173.51 2kco s THR 60 N -3.08 2.59 -0.46 4.34 -1.32 -1.26 -5.10 115.64 111.34 2kco s THR 60 Ca -0.02 -1.00 0.03 0.00 -1.21 0.00 0.00 61.69 59.49 2kco s THR 60 Cb 0.00 -1.99 0.13 0.00 -1.51 0.00 0.00 72.50 69.13 2kco s THR 60 CO -0.07 0.52 0.25 -0.89 -2.21 0.00 0.00 174.62 172.22 2kco s THR 61 N -0.74 1.69 0.03 5.08 2.01 -1.26 -4.90 115.64 117.55 2kco s THR 61 Ca 0.12 -2.75 0.03 0.00 0.31 0.00 0.00 61.69 59.39 2kco s THR 61 Cb -0.10 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2kco s THR 61 CO 0.01 -0.88 -0.08 -0.89 -0.69 0.00 0.00 174.62 172.09 2kco s THR 62 N 0.18 0.61 0.32 -0.82 2.01 -1.23 -2.31 115.64 114.40 2kco s THR 62 Ca 0.18 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.35 2kco s THR 62 Cb -0.24 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 2kco s THR 62 CO -0.00 -0.23 0.00 0.00 -0.69 0.00 0.00 174.62 173.70 2kco s ALA 63 N -1.07 3.18 -0.41 7.40 0.00 -0.06 -2.23 121.76 128.58 2kco s ALA 63 Ca -0.06 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.02 2kco s ALA 63 Cb -0.08 -0.45 0.13 0.00 0.00 0.00 0.00 23.12 22.72 2kco s ALA 63 CO 0.00 0.11 0.22 1.21 0.00 0.00 0.00 175.76 177.30 2kco s ASN 64 N -3.70 3.56 -0.03 0.00 2.47 -0.77 -1.11 114.94 115.35 2kco s ASN 64 Ca 0.34 -2.44 -0.29 0.00 0.42 0.00 0.00 52.86 50.89 2kco s ASN 64 Cb -0.02 -0.90 -0.03 0.00 -1.45 0.00 0.00 41.25 38.86 2kco s ASN 64 CO 0.19 -0.29 0.95 0.68 -3.72 0.00 0.00 177.10 174.92 2kco s VAL 65 N 0.62 4.87 0.04 -5.21 -7.23 0.16 -1.07 120.40 112.58 2kco s VAL 65 Ca 0.17 1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 62.02 2kco s VAL 65 Cb -0.24 -4.29 -0.05 0.00 0.56 0.00 0.00 36.38 32.37 2kco s VAL 65 CO -0.02 0.13 1.10 -0.22 -0.31 0.00 0.00 175.10 175.78 2kco s LEU 66 N 1.24 4.37 -0.46 1.32 1.98 -0.54 0.10 118.68 126.71 2kco s LEU 66 Ca 0.49 1.86 -0.16 0.00 -2.89 0.00 0.00 54.13 53.44 2kco s LEU 66 Cb -0.20 -3.58 0.06 0.00 0.66 0.00 0.00 46.19 43.13 2kco s LEU 66 CO 0.24 -0.37 0.38 -0.62 -1.89 0.00 0.00 176.35 174.10 2kco s ASP 67 N 0.99 6.14 0.16 3.68 2.15 -0.31 -1.95 116.67 127.54 2kco s ASP 67 Ca 0.55 -1.18 0.15 0.00 0.43 0.00 0.00 52.55 52.50 2kco s ASP 67 Cb -0.26 -2.18 0.72 0.00 -0.30 0.00 0.00 42.92 40.90 2kco s ASP 67 CO 0.29 -0.60 1.46 -0.81 -0.17 0.00 0.00 175.17 175.34 2kco n PRO 68 N 5.23 0.09 -0.03 4.34 -0.04 -1.26 0.05 135.00 143.37 2kco n PRO 68 Ca -0.12 0.48 -0.14 0.00 -0.04 0.00 0.00 63.50 63.69 2kco n PRO 68 Cb 0.45 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 2kco n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kco h ALA 69 N 2.15 0.06 -0.01 0.55 0.00 -1.93 -3.35 119.26 116.74 2kco h ALA 69 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kco h ALA 69 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kco h ALA 69 CO 0.00 -0.05 -0.41 0.25 0.00 0.00 0.00 179.25 179.04 2kco n THR 70 N -4.66 0.00 -3.54 0.00 -2.24 -1.17 -5.02 114.28 97.64 2kco n THR 70 Ca -0.08 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 2kco n THR 70 Cb 0.37 1.11 0.05 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.54 -3.17 -3.92 3.42 2.85 0.11 -5.04 115.26 108.96 2kco n ASN 71 Ca 0.05 -0.78 -0.17 0.00 -0.11 0.00 0.00 54.58 53.56 2kco n ASN 71 Cb 0.27 -4.43 -0.15 0.00 1.24 0.00 0.00 39.78 36.71 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kco s THR 72 N -3.51 0.42 0.36 -0.44 -4.23 -1.13 -4.95 115.64 102.17 2kco s THR 72 Ca 0.17 -0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.35 2kco s THR 72 Cb -0.04 -0.41 -0.10 0.00 1.34 0.00 0.00 72.50 73.30 2kco s THR 72 CO 0.79 0.15 0.82 0.00 -0.54 0.00 0.00 174.62 175.84 2kco s ALA 73 N 0.31 3.21 -0.18 3.99 0.00 -1.26 -1.16 121.76 126.66 2kco s ALA 73 Ca -0.03 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 2kco s ALA 73 Cb -0.07 -2.92 0.09 0.00 0.00 0.00 0.00 23.12 20.21 2kco s ALA 73 CO -0.00 0.25 0.37 0.21 0.00 0.00 0.00 175.76 176.59 2kco s LYS 74 N -3.03 0.28 -0.45 0.00 2.20 0.28 -4.93 119.74 114.08 2kco s LYS 74 Ca 0.57 0.92 -0.13 0.00 -0.36 0.00 0.00 55.97 56.96 2kco s LYS 74 Cb -0.10 0.16 0.07 0.00 -1.51 0.00 0.00 37.83 36.46 2kco s LYS 74 CO 0.16 -0.29 0.34 0.21 -0.36 0.00 0.00 175.35 175.41 2kco s LYS 75 N 2.56 2.85 0.11 4.03 2.20 -1.26 -0.67 119.74 129.56 2kco s LYS 75 Ca 0.00 -1.38 0.04 0.00 -0.36 0.00 0.00 55.97 54.28 2kco s LYS 75 Cb -0.12 -4.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 2kco s LYS 75 CO -0.12 -0.99 -0.11 0.14 -0.36 0.00 0.00 175.35 173.91 2kco s VAL 76 N 1.57 1.09 0.62 4.02 -7.23 -0.27 -4.97 120.40 115.23 2kco s VAL 76 Ca 0.04 -1.72 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 2kco s VAL 76 Cb -0.24 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2kco s VAL 76 CO 0.05 -0.54 1.20 -0.75 -0.31 0.00 0.00 175.10 174.75 2kco s LYS 77 N -2.89 2.82 -0.12 4.82 2.20 -1.26 -0.88 119.74 124.42 2kco s LYS 77 Ca 0.08 1.78 -0.24 0.00 -0.36 0.00 0.00 55.97 57.23 2kco s LYS 77 Cb -0.03 -1.91 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 2kco s LYS 77 CO 0.01 -1.32 0.76 0.42 -0.36 0.00 0.00 175.35 174.86 2kco s ILE 78 N -1.72 4.97 0.00 5.43 1.01 -0.98 -3.33 121.20 126.58 2kco s ILE 78 Ca 0.76 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.93 2kco s ILE 78 Cb -0.29 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2kco s ILE 78 CO 0.36 0.13 0.00 0.18 0.00 0.00 0.00 174.94 175.61 2kco n LEU 79 N 4.57 0.24 -3.82 2.97 4.77 -0.44 -4.94 117.00 120.35 2kco n LEU 79 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 2kco n LEU 79 Cb 0.50 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.48 2kco n LEU 79 CO 0.47 0.00 -0.13 -1.83 -1.33 0.00 0.00 177.39 174.58 2kco s GLU 80 N 0.00 0.36 -0.13 3.23 -1.05 -1.20 -4.96 118.70 114.96 2kco s GLU 80 Ca 0.00 0.04 -0.18 0.00 -0.15 0.00 0.00 54.97 54.68 2kco s GLU 80 Cb 0.00 0.16 -0.04 0.00 -0.44 0.00 0.00 34.13 33.81 2kco s GLU 80 CO 0.00 -0.07 0.46 0.96 0.95 0.00 0.00 175.26 177.56 2kco s ILE 81 N -0.48 5.20 -0.17 1.83 -0.00 -1.26 -0.64 121.20 125.67 2kco s ILE 81 Ca -0.06 0.92 -0.23 0.00 -0.00 0.00 0.00 60.65 61.28 2kco s ILE 81 Cb -0.04 -3.80 -0.22 0.00 -0.00 0.00 0.00 42.46 38.40 2kco s ILE 81 CO 0.01 0.32 0.43 -0.07 -0.00 0.00 0.00 174.94 175.63 2kco h LEU 82 N 6.79 0.06 -8.63 0.37 -0.00 -1.68 -3.43 115.31 108.78 2kco h LEU 82 Ca -0.41 -0.71 -0.58 0.00 -0.00 0.00 0.00 57.88 56.19 2kco h LEU 82 Cb 1.18 -0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 41.73 2kco h LEU 82 CO 0.75 1.37 0.78 -0.70 -0.00 0.00 0.00 178.44 180.65 2kco s GLU 83 N -2.34 3.55 -0.40 1.13 2.56 -1.24 -4.98 118.70 116.99 2kco s GLU 83 Ca -0.25 0.24 -0.28 0.00 0.00 0.00 0.00 54.97 54.68 2kco s GLU 83 Cb 0.03 -3.96 0.02 0.00 2.00 0.00 0.00 34.13 32.22 2kco s GLU 83 CO 0.65 -1.43 1.06 0.95 -0.56 0.00 0.00 175.26 175.93 2kco s THR 84 N 4.30 4.40 0.86 -1.70 -4.23 -1.26 -4.30 115.64 113.70 2kco s THR 84 Ca 0.41 1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 62.15 2kco s THR 84 Cb -0.09 -4.48 0.10 0.00 1.34 0.00 0.00 72.50 69.38 2kco s THR 84 CO 0.27 -0.73 1.10 -2.16 -0.54 0.00 0.00 174.62 172.56 2kco s PRO 85 N 3.95 1.60 0.50 3.99 0.04 -1.26 -4.93 135.00 138.89 2kco s PRO 85 Ca 0.44 0.61 0.20 0.00 0.04 0.00 0.00 61.00 62.29 2kco s PRO 85 Cb -0.10 -1.87 1.28 0.00 0.04 0.00 0.00 34.50 33.85 2kco s PRO 85 CO 0.23 -1.95 2.08 0.00 0.04 0.00 0.00 177.00 177.41 2kco h ALA 86 N -1.33 1.65 -0.86 8.56 0.00 -2.00 -1.51 119.26 123.78 2kco h ALA 86 Ca -0.49 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 53.64 2kco h ALA 86 Cb 1.29 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.82 2kco h ALA 86 CO 0.58 0.13 0.87 0.27 0.00 0.00 0.00 179.25 181.10 2kco n ASN 87 N -4.16 7.21 -0.32 0.00 6.94 -1.26 -4.77 115.26 118.91 2kco n ASN 87 Ca -0.03 -3.64 0.09 0.00 -0.02 0.00 0.00 54.58 50.99 2kco n ASN 87 Cb 0.19 -1.12 0.26 0.00 -2.36 0.00 0.00 39.78 36.74 2kco n ASN 87 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2kco h LYS 88 N 3.03 0.65 0.00 -3.83 -0.00 -1.63 -1.97 116.57 112.82 2kco h LYS 88 Ca 0.52 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.65 61.11 2kco h LYS 88 Cb 0.24 -0.15 -0.00 0.00 -0.00 0.00 0.00 32.23 32.32 2kco h LYS 88 CO 1.26 0.43 -0.10 1.05 -0.00 0.00 0.00 179.45 182.10 2kco h GLU 89 N 0.67 0.00 0.03 0.07 4.11 -1.87 -0.58 114.58 117.01 2kco h GLU 89 Ca 0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.93 2kco h GLU 89 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2kco h GLU 89 CO -0.37 0.10 -0.02 -0.07 0.07 0.00 0.00 179.01 178.72 2kco h LEU 90 N 0.00 -0.04 -2.55 3.06 -0.00 -1.63 -3.34 115.31 110.82 2kco h LEU 90 Ca -0.00 -0.66 0.01 0.00 -0.00 0.00 0.00 57.88 57.23 2kco h LEU 90 Cb 0.20 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.86 2kco h LEU 90 CO 0.01 0.69 0.12 0.00 -0.00 0.00 0.00 178.44 179.26 2kco h ALA 91 N 0.06 1.31 -0.32 1.53 0.00 -0.48 -0.11 119.26 121.24 2kco h ALA 91 Ca -0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2kco h ALA 91 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kco h ALA 91 CO 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 179.25 178.69 2kco h ARG 92 N 0.00 0.81 0.00 0.00 3.08 -1.26 -2.30 114.38 114.71 2kco h ARG 92 Ca 0.02 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2kco h ARG 92 Cb 0.26 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2kco h ARG 92 CO -0.00 1.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.97 2kco h ARG 93 N 0.65 0.00 0.00 0.04 3.08 -1.20 -3.46 114.38 113.49 2kco h ARG 93 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2kco h ARG 93 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2kco h ARG 93 CO 0.10 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.41 2kco n GLY 94 N -0.07 0.53 3.56 0.04 0.00 -0.87 -4.85 105.19 103.54 2kco n GLY 94 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 4.17 -0.01 -0.61 -1.09 -0.43 -4.85 121.20 116.37 2kco s ILE 95 Ca 0.00 -1.58 -0.07 0.00 -2.23 0.00 0.00 60.65 56.76 2kco s ILE 95 Cb 0.00 -5.10 -0.05 0.00 -1.58 0.00 0.00 42.46 35.73 2kco s ILE 95 CO 0.00 -1.93 0.26 -0.63 -1.23 0.00 0.00 174.94 171.41 2kco s ILE 96 N 4.15 5.31 0.05 2.92 1.01 -1.26 -1.79 121.20 131.59 2kco s ILE 96 Ca 0.49 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.31 2kco s ILE 96 Cb 0.02 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2kco s ILE 96 CO 0.00 0.42 0.30 -0.51 0.00 0.00 0.00 174.94 175.16 2kco s ILE 97 N -1.24 5.25 0.17 2.92 2.07 -1.26 -4.09 121.20 125.01 2kco s ILE 97 Ca 0.25 0.14 -0.34 0.00 -1.41 0.00 0.00 60.65 59.30 2kco s ILE 97 Cb -0.13 -3.59 -0.14 0.00 0.13 0.00 0.00 42.46 38.72 2kco s ILE 97 CO 0.14 0.28 1.58 -1.14 -1.91 0.00 0.00 174.94 173.88 2kco n ARG 98 N 0.83 2.16 0.00 3.50 0.63 -1.25 -3.00 116.66 119.54 2kco n ARG 98 Ca -0.09 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 2kco n ARG 98 Cb 0.52 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.89 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 3.38 0.93 3.75 5.14 0.00 -0.59 -5.03 105.19 112.78 2kco n GLY 99 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 3.62 0.32 4.61 0.00 -1.16 -4.93 121.76 122.22 2kco s ALA 100 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 2kco s ALA 100 Cb 0.00 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.11 2kco s ALA 100 CO 0.00 0.40 1.01 0.15 0.00 0.00 0.00 175.76 177.32 2kco s LYS 101 N -0.34 4.53 0.11 0.00 3.01 -1.26 -1.71 119.74 124.08 2kco s LYS 101 Ca 0.10 1.52 0.03 0.00 -1.01 0.00 0.00 55.97 56.60 2kco s LYS 101 Cb -0.12 -2.90 -0.04 0.00 -1.01 0.00 0.00 37.83 33.76 2kco s LYS 101 CO 0.01 0.19 -0.08 -1.50 0.51 0.00 0.00 175.35 174.48 2kco s ILE 102 N -1.45 0.83 -0.10 2.17 2.07 0.02 -1.72 121.20 123.02 2kco s ILE 102 Ca 0.49 -1.87 0.03 0.00 -1.41 0.00 0.00 60.65 57.90 2kco s ILE 102 Cb -0.24 -1.61 -0.01 0.00 0.13 0.00 0.00 42.46 40.74 2kco s ILE 102 CO 0.30 -0.77 -0.21 -0.13 -1.91 0.00 0.00 174.94 172.23 2kco s ARG 103 N -3.52 3.05 0.51 3.50 0.52 0.19 -1.36 118.95 121.84 2kco s ARG 103 Ca 0.11 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2kco s ARG 103 Cb 0.03 -2.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 2kco s ARG 103 CO -0.03 0.24 0.01 0.95 0.02 0.00 0.00 175.30 176.50 2kco s THR 104 N 0.22 1.01 0.54 0.02 -4.23 -0.45 -1.32 115.64 111.43 2kco s THR 104 Ca -0.13 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.60 2kco s THR 104 Cb -0.16 -2.09 0.30 0.00 1.34 0.00 0.00 72.50 71.89 2kco s THR 104 CO 0.07 0.00 2.18 -0.33 -0.54 0.00 0.00 174.62 176.00 2kco h GLU 105 N 1.34 0.00 0.00 3.99 4.39 -1.85 -3.28 114.58 119.17 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 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2kco h GLU 105 CO 0.72 0.02 0.00 0.00 -1.16 0.00 0.00 179.01 178.59 2kco n ALA 106 N -2.44 -0.11 -3.00 3.43 0.00 -1.26 -5.08 120.51 112.05 2kco n ALA 106 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2kco n ALA 106 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 1.32 2.49 3.72 0.00 0.00 -1.24 -5.12 105.19 106.36 2kco n GLY 107 Ca 0.00 -0.72 -0.42 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 4.38 0.18 0.99 2.96 -1.26 -1.34 118.68 124.59 2kco s LEU 108 Ca 0.00 2.25 0.02 0.00 -0.22 0.00 0.00 54.13 56.18 2kco s LEU 108 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 2kco s LEU 108 CO 0.00 -0.58 0.00 0.00 -1.32 0.00 0.00 176.35 174.45 2kco s ALA 109 N 0.94 1.41 -0.14 5.97 0.00 -0.46 -1.05 121.76 128.42 2kco s ALA 109 Ca 0.62 -1.61 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 2kco s ALA 109 Cb -0.35 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2kco s ALA 109 CO 0.31 -0.31 -0.09 0.54 0.00 0.00 0.00 175.76 176.21 2kco s VAL 110 N -3.63 3.41 -0.12 0.00 0.11 -0.43 -0.80 120.40 118.94 2kco s VAL 110 Ca 0.25 -0.53 -0.29 0.00 -2.93 0.00 0.00 61.98 58.47 2kco s VAL 110 Cb 0.06 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.40 2kco s VAL 110 CO 0.05 0.51 1.64 0.68 -3.33 0.00 0.00 175.10 174.65 2kco s VAL 111 N 0.41 3.63 -0.72 2.04 -7.23 -0.69 -0.79 120.40 117.04 2kco s VAL 111 Ca -0.07 0.74 0.14 0.00 -1.81 0.00 0.00 61.98 60.98 2kco s VAL 111 Cb -0.15 -3.54 0.47 0.00 0.56 0.00 0.00 36.38 33.72 2kco s VAL 111 CO 0.04 -0.14 1.39 0.35 -0.31 0.00 0.00 175.10 176.44 2kco n THR 112 N 5.84 1.61 -3.98 5.32 -2.24 -0.24 -1.54 114.28 119.07 2kco n THR 112 Ca 0.18 -1.35 -0.09 0.00 -2.27 0.00 0.00 64.05 60.52 2kco n THR 112 Cb 0.44 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.31 -0.03 0.77 3.42 0.15 -0.98 -4.95 113.70 110.76 2kco s SER 113 Ca 0.36 -0.94 -0.11 0.00 0.70 0.00 0.00 55.95 55.96 2kco s SER 113 Cb 0.24 0.63 0.06 0.00 -1.71 0.00 0.00 66.02 65.24 2kco s SER 113 CO 0.15 -1.21 1.14 0.00 1.20 0.00 0.00 173.24 174.51 2kco s ARG 114 N -3.84 2.24 -0.12 5.44 1.70 -1.26 -3.84 118.95 119.28 2kco s ARG 114 Ca 0.21 0.17 -0.32 0.00 -0.47 0.00 0.00 55.73 55.31 2kco s ARG 114 Cb -0.02 -2.00 -0.10 0.00 -0.57 0.00 0.00 34.95 32.27 2kco s ARG 114 CO 0.10 -1.39 2.00 -2.30 -1.08 0.00 0.00 175.30 172.63 2kco n PRO 115 N -3.18 2.15 -1.46 3.89 -0.02 -1.26 -4.24 135.00 130.88 2kco n PRO 115 Ca 0.08 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 2kco n PRO 115 Cb 0.60 -2.81 0.12 0.00 -0.02 0.00 0.00 33.50 31.39 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 5.34 1.60 0.59 -1.23 0.00 -0.32 -4.92 107.32 108.37 2kco s GLY 116 Ca 0.96 -0.33 0.37 0.00 0.00 0.00 0.00 44.72 45.71 2kco s GLY 116 CO 0.46 0.17 2.12 -1.61 0.00 0.00 0.00 173.10 174.25 2kco h GLN 117 N -1.39 0.00 0.00 2.90 5.75 -1.95 -1.60 115.11 118.82 2kco h GLN 117 Ca -0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 2kco h GLN 117 Cb 1.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.85 2kco h GLN 117 CO 0.60 0.01 0.00 -3.47 -2.65 0.00 0.00 178.83 173.32 2kco n ASP 118 N -3.12 0.00 -0.32 -0.69 2.03 -1.26 -4.84 116.55 108.34 2kco n ASP 118 Ca -0.01 -0.46 -0.03 0.00 0.52 0.00 0.00 54.79 54.81 2kco n ASP 118 Cb 0.23 -0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 40.53 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 0.36 0.37 2.97 0.27 0.00 -0.60 -4.99 105.19 103.58 2kco n GLY 119 Ca 0.14 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.15 1.10 -0.40 1.61 1.01 -1.23 -3.56 120.40 116.79 2kco s VAL 120 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 2kco s VAL 120 Cb 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2kco s VAL 120 CO 0.00 0.36 0.27 -0.63 0.00 0.00 0.00 175.10 175.10 2kco s ILE 121 N 1.12 4.98 0.25 2.22 1.09 -0.94 -1.18 121.20 128.74 2kco s ILE 121 Ca -0.06 -0.76 -0.30 0.00 -1.10 0.00 0.00 60.65 58.43 2kco s ILE 121 Cb -0.14 -3.79 -0.10 0.00 -1.06 0.00 0.00 42.46 37.37 2kco s ILE 121 CO -0.02 -0.29 1.45 0.21 -0.10 0.00 0.00 174.94 176.20 2kco s ASN 122 N 1.65 6.63 0.26 3.58 3.84 -1.26 -1.85 114.94 127.78 2kco s ASN 122 Ca 0.04 2.70 0.01 0.00 0.21 0.00 0.00 52.86 55.82 2kco s ASN 122 Cb -0.19 -2.62 -0.05 0.00 -0.55 0.00 0.00 41.25 37.83 2kco s ASN 122 CO 0.09 -0.72 0.09 0.00 -2.79 0.00 0.00 177.10 173.76 2kco s ALA 123 N -0.01 1.74 -0.10 1.71 0.00 -0.24 -1.07 121.76 123.78 2kco s ALA 123 Ca 0.60 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.72 2kco s ALA 123 Cb -0.42 0.98 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2kco s ALA 123 CO 0.44 -0.44 -0.17 0.08 0.00 0.00 0.00 175.76 175.67 2kco s VAL 124 N -3.72 1.59 0.19 0.00 1.01 0.03 -1.46 120.40 118.04 2kco s VAL 124 Ca 0.37 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 2kco s VAL 124 Cb 0.08 -1.43 -0.10 0.00 0.00 0.00 0.00 36.38 34.93 2kco s VAL 124 CO 0.13 0.46 1.50 -0.76 0.00 0.00 0.00 175.10 176.43 2kco s LEU 125 N 0.83 4.38 -0.33 3.92 1.43 -0.82 -1.32 118.68 126.76 2kco s LEU 125 Ca -0.09 2.61 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2kco s LEU 125 Cb -0.16 -3.60 0.14 0.00 0.03 0.00 0.00 46.19 42.60 2kco s LEU 125 CO 0.01 -0.76 0.26 -1.48 0.23 0.00 0.00 176.35 174.61 2kco s LEU 126 N 0.58 0.32 -1.03 1.79 0.05 -0.22 -4.55 118.68 115.62 2kco s LEU 126 Ca 0.65 -1.53 -0.23 0.00 0.05 0.00 0.00 54.13 53.07 2kco s LEU 126 Cb -0.42 0.09 -0.04 0.00 -2.05 0.00 0.00 46.19 43.77 2kco s LEU 126 CO 0.36 -0.34 1.88 -0.75 -0.55 0.00 0.00 176.35 176.95 2kco s LYS 127 N 1.65 2.74 0.29 1.48 2.47 -1.26 -4.63 119.74 122.48 2kco s LYS 127 Ca 0.14 -0.77 0.10 0.00 -1.56 0.00 0.00 55.97 53.89 2kco s LYS 127 Cb -0.17 -5.18 -0.05 0.00 -1.46 0.00 0.00 37.83 30.96 2kco s LYS 127 CO -0.15 -3.37 -0.09 -0.80 0.16 0.00 0.00 175.35 171.10 2kco s ASN 128 N 6.98 4.00 -1.12 1.43 0.02 -1.26 -5.06 114.94 119.93 2kco s ASN 128 Ca 0.66 -0.93 -0.22 0.00 -1.02 0.00 0.00 52.86 51.36 2kco s ASN 128 Cb -0.03 -0.51 0.02 0.00 0.02 0.00 0.00 41.25 40.74 2kco s ASN 128 CO 0.03 -0.05 1.71 -0.70 0.02 0.00 0.00 177.10 178.11 2kco s GLU 129 N -3.61 3.36 0.53 -0.60 2.12 -1.26 -4.97 118.70 114.27 2kco s GLU 129 Ca 0.32 -1.27 -0.19 0.00 0.36 0.00 0.00 54.97 54.19 2kco s GLU 129 Cb -0.04 -5.35 -0.06 0.00 0.26 0.00 0.00 34.13 28.94 2kco s GLU 129 CO 0.17 -2.71 1.07 0.45 -0.54 0.00 0.00 175.26 173.70 2kco s SER 130 N 5.50 5.99 -0.06 -1.70 0.15 -1.26 -5.00 113.70 117.33 2kco s SER 130 Ca 0.56 1.97 -0.30 0.00 0.70 0.00 0.00 55.95 58.89 2kco s SER 130 Cb 0.00 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2kco s SER 130 CO 0.01 -1.03 1.57 -1.58 1.20 0.00 0.00 173.24 173.41 2kco s GLN 131 N -3.47 4.20 -0.36 5.44 2.00 -1.26 -4.96 119.66 121.24 2kco s GLN 131 Ca 0.68 2.09 0.04 0.00 -2.00 0.00 0.00 55.36 56.17 2kco s GLN 131 Cb -0.18 -3.88 0.16 0.00 0.80 0.00 0.00 33.01 29.91 2kco s GLN 131 CO 0.27 -0.79 0.43 0.50 -0.50 0.00 0.00 175.29 175.20 2kco s ARG 132 N 3.66 0.62 0.00 1.67 6.06 -1.26 -5.04 118.95 124.67 2kco s ARG 132 Ca 0.70 -0.56 0.00 0.00 -2.50 0.00 0.00 55.73 53.37 2kco s ARG 132 Cb -0.32 -0.50 0.00 0.00 0.06 0.00 0.00 34.95 34.19 2kco s ARG 132 CO 0.27 -1.16 0.00 0.43 -2.50 0.00 0.00 175.30 172.34