#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 -0.81 3.33 3.03 0.00 -1.26 -5.15 105.19 104.33 2kco n GLY 2 Ca 0.00 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2kco n GLY 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kco s PHE 3 N -3.00 2.61 -0.28 1.61 -0.71 -1.26 -5.12 117.98 111.83 2kco s PHE 3 Ca 0.00 -0.63 0.03 0.00 -1.04 0.00 0.00 56.93 55.29 2kco s PHE 3 Cb 0.00 -1.68 0.07 0.00 -1.21 0.00 0.00 43.02 40.19 2kco s PHE 3 CO 0.00 -0.16 -0.07 0.71 -1.34 0.00 0.00 175.22 174.36 2kco s TYR 4 N -0.07 3.39 0.11 3.49 2.02 -1.26 -5.09 117.35 119.94 2kco s TYR 4 Ca -0.05 -2.47 -0.18 0.00 -0.37 0.00 0.00 57.07 54.00 2kco s TYR 4 Cb -0.14 -2.18 0.04 0.00 -0.40 0.00 0.00 41.96 39.28 2kco s TYR 4 CO 0.04 -0.89 0.43 1.14 -1.57 0.00 0.00 175.55 174.70 2kco s GLN 5 N 1.06 1.07 -0.02 -0.62 -2.07 -1.26 -5.18 119.66 112.64 2kco s GLN 5 Ca -0.04 -0.60 0.02 0.00 -1.82 0.00 0.00 55.36 52.92 2kco s GLN 5 Cb -0.20 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 2kco s GLN 5 CO -0.06 -0.42 -0.08 0.20 -1.32 0.00 0.00 175.29 173.61 2kco s GLY 6 N -2.63 0.47 0.19 2.60 0.00 -1.26 -5.14 107.32 101.56 2kco s GLY 6 Ca 0.01 -0.31 -0.31 0.00 0.00 0.00 0.00 44.72 44.11 2kco s GLY 6 CO -0.10 -0.11 1.58 -4.14 0.00 0.00 0.00 173.10 170.33 2kco s PRO 7 N 0.12 4.20 0.47 2.90 0.02 -1.26 -4.99 135.00 136.47 2kco s PRO 7 Ca -0.02 2.41 -0.22 0.00 0.02 0.00 0.00 61.00 63.19 2kco s PRO 7 Cb -0.07 -3.13 -0.07 0.00 0.02 0.00 0.00 34.50 31.25 2kco s PRO 7 CO 0.00 -0.61 1.13 0.16 -0.33 0.00 0.00 177.00 177.35 2kco s ASP 8 N 1.00 6.16 0.18 2.53 -4.77 -1.26 -5.04 116.67 115.47 2kco s ASP 8 Ca 0.69 2.20 -0.19 0.00 -3.30 0.00 0.00 52.55 51.95 2kco s ASP 8 Cb -0.45 -2.59 -0.08 0.00 -1.09 0.00 0.00 42.92 38.72 2kco s ASP 8 CO 0.34 -0.92 0.66 0.54 0.70 0.00 0.00 175.17 176.50 2kco s ASN 9 N -1.55 7.02 0.23 2.11 2.20 -1.26 -5.10 114.94 118.59 2kco s ASN 9 Ca 0.65 1.33 0.08 0.00 -0.94 0.00 0.00 52.86 53.98 2kco s ASN 9 Cb -0.25 -2.38 -0.04 0.00 -2.00 0.00 0.00 41.25 36.57 2kco s ASN 9 CO 0.30 0.09 0.04 -0.13 -2.94 0.00 0.00 177.10 174.46 2kco s ARG 10 N -1.83 2.47 0.00 3.55 1.81 -1.26 -5.09 118.95 118.61 2kco s ARG 10 Ca 0.40 -1.22 -0.30 0.00 -1.72 0.00 0.00 55.73 52.88 2kco s ARG 10 Cb -0.17 -2.32 -0.07 0.00 -0.45 0.00 0.00 34.95 31.94 2kco s ARG 10 CO 0.21 0.41 1.66 0.15 -0.68 0.00 0.00 175.30 177.04 2kco s LYS 11 N -3.43 4.19 -0.08 3.54 -0.14 -1.26 -4.97 119.74 117.59 2kco s LYS 11 Ca 0.30 2.25 -0.29 0.00 -1.36 0.00 0.00 55.97 56.87 2kco s LYS 11 Cb -0.08 -3.83 -0.02 0.00 -1.68 0.00 0.00 37.83 32.23 2kco s LYS 11 CO 0.20 -0.79 0.98 0.42 -0.76 0.00 0.00 175.35 175.41 2kco s ILE 12 N 3.43 4.82 -0.22 2.17 -1.09 -1.26 -5.03 121.20 124.01 2kco s ILE 12 Ca 0.74 2.01 -0.03 0.00 -2.23 0.00 0.00 60.65 61.13 2kco s ILE 12 Cb -0.36 -4.30 0.07 0.00 -1.58 0.00 0.00 42.46 36.29 2kco s ILE 12 CO 0.31 0.05 0.08 -0.89 -1.23 0.00 0.00 174.94 173.26 2kco s THR 13 N 1.72 0.26 0.28 2.92 2.01 -1.26 -5.16 115.64 116.42 2kco s THR 13 Ca 0.48 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 2kco s THR 13 Cb -0.19 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.42 2kco s THR 13 CO 0.20 -0.40 0.38 0.61 -0.69 0.00 0.00 174.62 174.73 2kco n GLY 14 N 5.13 -0.49 3.81 4.40 0.00 -1.26 -5.08 105.19 111.70 2kco n GLY 14 Ca -0.07 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.67 2.28 -0.31 -0.02 0.00 -1.26 -4.99 107.32 99.36 2kco s GLY 15 Ca 0.23 0.43 0.08 0.00 0.00 0.00 0.00 44.72 45.46 2kco s GLY 15 CO 0.16 0.74 1.33 -0.10 0.00 0.00 0.00 173.10 175.23 2kco n LEU 16 N -1.40 4.45 -4.70 0.66 7.94 -1.26 -5.04 117.00 117.65 2kco n LEU 16 Ca 0.08 -4.29 -0.42 0.00 -1.11 0.00 0.00 56.01 50.27 2kco n LEU 16 Cb 0.53 -0.51 -0.03 0.00 0.53 0.00 0.00 43.42 43.94 2kco n LEU 16 CO 0.43 1.70 1.07 -0.75 -1.11 0.00 0.00 177.39 178.73 2kco s LYS 17 N -3.46 4.31 0.00 1.96 2.47 -1.26 -5.00 119.74 118.76 2kco s LYS 17 Ca 0.48 1.99 0.00 0.00 -1.56 0.00 0.00 55.97 56.88 2kco s LYS 17 Cb 0.41 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 33.36 2kco s LYS 17 CO -0.00 -0.48 0.00 0.41 0.16 0.00 0.00 175.35 175.43 2kco n GLY 18 N 3.54 1.42 0.46 5.54 0.00 -1.26 -5.14 105.19 109.75 2kco n GLY 18 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2kco n GLY 18 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kco n LYS 19 N 0.00 0.13 -2.75 1.61 0.00 -1.26 -5.13 118.16 110.75 2kco n LYS 19 Ca 0.00 -0.31 -0.42 0.00 -0.00 0.00 0.00 58.31 57.58 2kco n LYS 19 Cb 0.00 0.35 -0.03 0.00 -0.00 0.00 0.00 35.03 35.35 2kco n LYS 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2kco s HIS 20 N -6.96 3.47 0.00 5.58 5.65 -1.26 -5.01 115.29 116.76 2kco s HIS 20 Ca 0.03 1.48 0.00 0.00 0.25 0.00 0.00 55.06 56.81 2kco s HIS 20 Cb -0.00 -3.14 0.00 0.00 -1.18 0.00 0.00 32.58 28.25 2kco s HIS 20 CO 0.02 -0.25 0.14 0.54 -0.65 0.00 0.00 174.74 174.53 2kco n ARG 21 N 5.20 0.00 -4.05 2.88 1.74 -1.26 -5.01 116.66 116.17 2kco n ARG 21 Ca 0.08 0.48 -0.22 0.00 -0.77 0.00 0.00 57.85 57.42 2kco n ARG 21 Cb 0.48 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.84 2kco n ARG 21 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kco s ASP 22 N -2.79 5.73 0.00 0.55 1.01 -1.26 -5.14 116.67 114.78 2kco s ASP 22 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.08 2kco s ASP 22 Cb 0.00 -1.50 0.00 0.00 1.01 0.00 0.00 42.92 42.43 2kco s ASP 22 CO 0.00 -0.07 0.00 0.29 0.21 0.00 0.00 175.17 175.60 2kco n LYS 23 N -1.26 1.77 -3.11 8.23 4.01 -1.26 -5.08 118.16 121.46 2kco n LYS 23 Ca -0.08 -0.01 -0.45 0.00 -0.51 0.00 0.00 58.31 57.26 2kco n LYS 23 Cb 0.58 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 35.06 2kco n LYS 23 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2kco s ARG 24 N -2.01 3.20 0.38 1.97 0.52 -1.26 -4.96 118.95 116.79 2kco s ARG 24 Ca 0.00 -1.55 0.08 0.00 -0.52 0.00 0.00 55.73 53.75 2kco s ARG 24 Cb -0.00 -4.38 0.75 0.00 0.52 0.00 0.00 34.95 31.84 2kco s ARG 24 CO 0.00 -1.54 1.92 0.87 0.02 0.00 0.00 175.30 176.57 2kco h LYS 25 N 8.94 0.33 -0.74 3.54 6.56 -2.05 -3.20 116.57 129.95 2kco h LYS 25 Ca -0.17 -0.07 -0.32 0.00 -1.06 0.00 0.00 60.65 59.03 2kco h LYS 25 Cb 1.07 -0.05 -0.31 0.00 -0.57 0.00 0.00 32.23 32.37 2kco h LYS 25 CO 1.05 0.41 -0.90 2.48 -2.06 0.00 0.00 179.45 180.44 2kco n TYR 26 N -4.30 -0.28 -1.83 -1.35 4.11 -1.26 -5.11 117.16 107.13 2kco n TYR 26 Ca 0.00 -2.59 -0.42 0.00 -0.00 0.00 0.00 57.90 54.89 2kco n TYR 26 Cb 0.24 0.34 -0.03 0.00 -0.00 0.00 0.00 39.34 39.89 2kco n TYR 26 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 2kco s GLU 27 N -1.84 4.17 -0.40 -3.48 -1.05 -1.21 -4.99 118.70 109.89 2kco s GLU 27 Ca 0.26 2.44 0.03 0.00 -0.15 0.00 0.00 54.97 57.56 2kco s GLU 27 Cb 0.42 -3.74 0.11 0.00 -0.44 0.00 0.00 34.13 30.48 2kco s GLU 27 CO -0.02 -0.82 0.14 0.42 0.95 0.00 0.00 175.26 175.93 2kco s ILE 28 N 3.16 2.21 -0.29 1.83 1.01 -1.26 -4.93 121.20 122.94 2kco s ILE 28 Ca 0.78 -2.61 0.20 0.00 0.00 0.00 0.00 60.65 59.02 2kco s ILE 28 Cb -0.41 -2.60 0.48 0.00 0.01 0.00 0.00 42.46 39.94 2kco s ILE 28 CO 0.35 -0.69 1.05 0.61 0.00 0.00 0.00 174.94 176.25 2kco n GLY 29 N 3.87 2.06 3.71 6.18 0.00 -1.26 -5.12 105.19 114.64 2kco n GLY 29 Ca 0.04 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.51 7.31 -0.33 1.61 -0.87 -1.26 -5.02 114.94 112.87 2kco s ASN 30 Ca 0.29 1.59 -0.29 0.00 -1.57 0.00 0.00 52.86 52.88 2kco s ASN 30 Cb 0.38 -2.54 -0.00 0.00 -0.02 0.00 0.00 41.25 39.07 2kco s ASN 30 CO -0.01 -0.20 1.41 -2.84 -2.57 0.00 0.00 177.10 172.89 2kco s PRO 31 N 0.82 3.74 0.88 -0.60 0.02 -1.26 -5.03 135.00 133.58 2kco s PRO 31 Ca 0.49 1.20 -0.12 0.00 0.02 0.00 0.00 61.00 62.59 2kco s PRO 31 Cb -0.21 -3.97 0.12 0.00 0.02 0.00 0.00 34.50 30.46 2kco s PRO 31 CO 0.26 -1.35 1.10 -1.25 -0.33 0.00 0.00 177.00 175.44 2kco s PRO 32 N 4.60 1.38 -0.68 5.54 0.04 -1.26 -4.91 135.00 139.71 2kco s PRO 32 Ca 0.61 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.04 2kco s PRO 32 Cb -0.17 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2kco s PRO 32 CO 0.28 -2.11 2.09 0.95 0.04 0.00 0.00 177.00 178.25 2kco s THR 33 N -3.06 3.25 -0.10 1.26 -4.23 -1.26 -4.92 115.64 106.58 2kco s THR 33 Ca 0.63 -0.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.83 2kco s THR 33 Cb -0.16 -3.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.01 2kco s THR 33 CO 0.56 -0.58 1.86 -0.36 -0.54 0.00 0.00 174.62 175.56 2kco s PHE 34 N 10.91 1.61 0.61 3.99 0.08 -1.26 -4.98 117.98 128.94 2kco s PHE 34 Ca 0.79 0.13 -0.15 0.00 0.12 0.00 0.00 56.93 57.81 2kco s PHE 34 Cb -0.12 -4.05 -0.03 0.00 -0.57 0.00 0.00 43.02 38.25 2kco s PHE 34 CO 0.15 -4.25 1.07 -0.08 -0.10 0.00 0.00 175.22 172.00 2kco s THR 35 N 5.32 3.70 0.22 0.64 -1.32 -1.26 -5.00 115.64 117.93 2kco s THR 35 Ca 0.83 0.79 -0.31 0.00 -1.21 0.00 0.00 61.69 61.80 2kco s THR 35 Cb -0.34 -3.32 -0.10 0.00 -1.51 0.00 0.00 72.50 67.22 2kco s THR 35 CO 0.35 -0.49 1.54 0.42 -2.21 0.00 0.00 174.62 174.23 2kco s THR 36 N -2.45 2.49 0.44 5.08 -4.23 -1.26 -5.03 115.64 110.69 2kco s THR 36 Ca 0.64 0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 61.46 2kco s THR 36 Cb -0.17 -3.24 0.11 0.00 1.34 0.00 0.00 72.50 70.54 2kco s THR 36 CO 0.38 0.05 0.36 0.00 -0.54 0.00 0.00 174.62 174.87 2kco n LEU 37 N 3.07 0.00 -0.53 4.79 -0.00 -1.26 -4.90 117.00 118.16 2kco n LEU 37 Ca 0.10 -0.38 0.01 0.00 -0.00 0.00 0.00 56.01 55.74 2kco n LEU 37 Cb 0.39 -0.35 0.03 0.00 -0.00 0.00 0.00 43.42 43.49 2kco n LEU 37 CO 0.62 -1.54 0.33 -1.20 -0.00 0.00 0.00 177.39 175.60 2kco n SER 38 N -3.72 1.20 0.26 1.45 7.64 -1.26 -4.37 113.62 114.81 2kco n SER 38 Ca 0.05 -2.06 -0.16 0.00 1.01 0.00 0.00 58.87 57.71 2kco n SER 38 Cb 0.20 -0.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.88 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 2.30 -0.88 0.00 -0.43 0.00 -1.99 0.06 119.26 118.31 2kco h ALA 39 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2kco h ALA 39 Cb 0.53 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2kco h ALA 39 CO 0.03 -1.03 -0.33 0.93 0.00 0.00 0.00 179.25 178.85 2kco h GLU 40 N -0.83 0.00 -0.19 0.00 5.08 -1.98 -0.65 114.58 116.01 2kco h GLU 40 Ca -0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 2kco h GLU 40 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2kco h GLU 40 CO -0.05 0.33 -0.56 0.22 -1.00 0.00 0.00 179.01 177.96 2kco h ASP 41 N 0.00 0.64 -0.08 1.42 3.58 -1.77 -1.90 116.42 118.30 2kco h ASP 41 Ca -0.00 -0.34 -0.20 0.00 0.42 0.00 0.00 57.03 56.91 2kco h ASP 41 Cb 0.67 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2kco h ASP 41 CO 0.04 1.06 -0.67 0.40 -2.88 0.00 0.00 179.24 177.19 2kco h ILE 42 N 0.44 1.30 0.00 2.25 1.08 -0.52 -2.95 117.51 119.11 2kco h ILE 42 Ca 0.01 -1.91 -0.03 0.00 -0.39 0.00 0.00 64.86 62.53 2kco h ILE 42 Cb 1.10 1.88 -0.00 0.00 -3.07 0.00 0.00 36.82 36.73 2kco h ILE 42 CO 0.11 0.60 -0.15 0.03 -0.69 0.00 0.00 178.15 178.05 2kco h ARG 43 N 0.51 0.00 0.17 2.37 -0.00 -1.06 0.30 114.38 116.68 2kco h ARG 43 Ca -0.02 0.00 -0.30 0.00 -0.50 0.00 0.00 59.98 59.16 2kco h ARG 43 Cb 1.28 0.00 0.02 0.00 0.00 0.00 0.00 29.97 31.27 2kco h ARG 43 CO 0.14 0.15 -1.32 0.97 0.00 0.00 0.00 179.97 179.90 2kco h ILE 44 N 0.00 1.38 -0.06 2.04 6.09 -1.36 -0.98 117.51 124.62 2kco h ILE 44 Ca -0.00 -2.81 0.00 0.00 -1.37 0.00 0.00 64.86 60.68 2kco h ILE 44 Cb 0.70 2.92 0.00 0.00 0.47 0.00 0.00 36.82 40.92 2kco h ILE 44 CO 0.02 0.83 0.00 2.29 -3.07 0.00 0.00 178.15 178.22 2kco n LYS 45 N -3.65 1.36 -0.01 2.19 -0.00 -1.04 -2.72 118.16 114.30 2kco n LYS 45 Ca -0.12 -0.54 0.10 0.00 -0.00 0.00 0.00 58.31 57.74 2kco n LYS 45 Cb 1.04 -1.38 -0.14 0.00 -0.00 0.00 0.00 35.03 34.55 2kco n LYS 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kco n ASP 46 N -0.27 0.60 0.04 -5.58 2.03 0.10 -4.26 116.55 109.22 2kco n ASP 46 Ca 0.17 -0.13 -0.13 0.00 0.52 0.00 0.00 54.79 55.22 2kco n ASP 46 Cb 0.21 1.76 -0.09 0.00 -0.72 0.00 0.00 41.12 42.29 2kco n ASP 46 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2kco h ARG 47 N 0.00 -0.11 -0.48 -0.67 2.43 -0.97 -3.38 114.38 111.20 2kco h ARG 47 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2kco h ARG 47 Cb 0.83 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2kco h ARG 47 CO 0.00 0.25 0.22 0.00 -1.51 0.00 0.00 179.97 178.93 2kco h THR 48 N -0.48 1.17 -3.80 0.20 1.03 -1.69 -3.42 112.91 105.92 2kco h THR 48 Ca -0.01 -0.48 -0.48 0.00 -0.01 0.00 0.00 66.41 65.42 2kco h THR 48 Cb 0.40 0.56 -0.02 0.00 -1.07 0.00 0.00 68.15 68.03 2kco h THR 48 CO 0.02 0.20 0.15 -1.48 -0.01 0.00 0.00 175.52 174.40 2kco s LEU 49 N -9.43 3.98 0.00 0.00 2.34 -1.26 -4.69 118.68 109.62 2kco s LEU 49 Ca -0.09 1.33 0.00 0.00 0.06 0.00 0.00 54.13 55.43 2kco s LEU 49 Cb 0.17 -4.16 0.00 0.00 -0.56 0.00 0.00 46.19 41.63 2kco s LEU 49 CO 0.76 -0.29 0.00 0.61 -1.06 0.00 0.00 176.35 176.38 2kco n GLY 50 N -0.64 -2.09 3.77 -3.48 0.00 -1.26 -4.99 105.19 96.51 2kco n GLY 50 Ca 0.04 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.28 2.69 0.26 -0.02 0.00 -1.26 -5.04 107.32 103.68 2kco s GLY 51 Ca 0.00 0.85 -0.24 0.00 0.00 0.00 0.00 44.72 45.34 2kco s GLY 51 CO 0.00 1.25 0.84 -1.31 0.00 0.00 0.00 173.10 173.89 2kco s ASN 52 N -1.60 7.25 0.15 1.64 -0.87 -1.26 -5.04 114.94 115.21 2kco s ASN 52 Ca 0.68 1.66 -0.30 0.00 -1.57 0.00 0.00 52.86 53.33 2kco s ASN 52 Cb -0.25 -2.51 -0.07 0.00 -0.02 0.00 0.00 41.25 38.39 2kco s ASN 52 CO 0.30 0.01 1.22 0.12 -2.57 0.00 0.00 177.10 176.17 2kco s PHE 53 N -1.51 3.41 0.86 2.20 5.36 -1.26 -5.02 117.98 122.02 2kco s PHE 53 Ca 0.45 1.35 -0.12 0.00 -0.96 0.00 0.00 56.93 57.65 2kco s PHE 53 Cb -0.19 -3.45 0.11 0.00 -0.34 0.00 0.00 43.02 39.15 2kco s PHE 53 CO 0.23 -1.34 1.11 0.15 -1.46 0.00 0.00 175.22 173.91 2kco s LYS 54 N 0.23 1.56 0.10 10.12 1.02 -1.26 -5.04 119.74 126.48 2kco s LYS 54 Ca 0.55 0.57 -0.25 0.00 0.02 0.00 0.00 55.97 56.86 2kco s LYS 54 Cb -0.32 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 2kco s LYS 54 CO 0.34 -1.97 0.77 0.08 -0.92 0.00 0.00 175.35 173.65 2kco s VAL 55 N -3.13 4.56 0.23 3.17 1.01 -1.26 -5.07 120.40 119.90 2kco s VAL 55 Ca 0.62 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 64.06 2kco s VAL 55 Cb -0.15 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 2kco s VAL 55 CO 0.55 0.44 0.75 -0.60 0.00 0.00 0.00 175.10 176.24 2kco s ARG 56 N -0.56 4.32 0.58 2.72 3.52 -1.26 -5.09 118.95 123.17 2kco s ARG 56 Ca 0.37 0.94 -0.08 0.00 -0.13 0.00 0.00 55.73 56.84 2kco s ARG 56 Cb -0.22 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.25 2kco s ARG 56 CO 0.25 0.40 0.93 -0.51 -0.81 0.00 0.00 175.30 175.55 2kco s LEU 57 N -1.91 3.32 -0.01 -0.88 1.02 -1.26 -5.07 118.68 113.90 2kco s LEU 57 Ca 0.43 1.05 -0.01 0.00 0.02 0.00 0.00 54.13 55.62 2kco s LEU 57 Cb -0.17 -3.98 -0.00 0.00 0.02 0.00 0.00 46.19 42.05 2kco s LEU 57 CO 0.22 -0.88 -0.01 0.11 0.02 0.00 0.00 176.35 175.80 2kco h LYS 58 N -0.15 0.00 -1.57 1.70 1.57 -2.06 -3.51 116.57 112.55 2kco h LYS 58 Ca -0.45 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.60 2kco h LYS 58 Cb 1.22 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.38 2kco h LYS 58 CO 0.62 0.00 0.78 1.52 -0.57 0.00 0.00 179.45 181.80 2kco s TYR 59 N -1.12 -0.10 0.16 -1.35 1.13 -1.26 -5.18 117.35 109.63 2kco s TYR 59 Ca -0.01 0.00 0.03 0.00 -1.41 0.00 0.00 57.07 55.68 2kco s TYR 59 Cb 0.00 0.54 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 2kco s TYR 59 CO 0.02 -0.30 0.26 -0.08 -2.51 0.00 0.00 175.55 172.94 2kco s THR 60 N -2.52 5.14 0.09 -3.49 -1.32 -1.26 -5.09 115.64 107.18 2kco s THR 60 Ca 0.12 -0.79 -0.31 0.00 -1.21 0.00 0.00 61.69 59.49 2kco s THR 60 Cb 0.02 -3.65 -0.07 0.00 -1.51 0.00 0.00 72.50 67.29 2kco s THR 60 CO -0.04 -0.11 1.30 0.28 -2.21 0.00 0.00 174.62 173.84 2kco s THR 61 N -1.76 3.64 0.14 5.08 -1.32 -1.26 -4.91 115.64 115.25 2kco s THR 61 Ca 0.34 1.18 0.07 0.00 -1.21 0.00 0.00 61.69 62.06 2kco s THR 61 Cb -0.11 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.09 2kco s THR 61 CO 0.27 0.09 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.73 2kco s THR 62 N 1.09 1.49 -0.06 5.08 2.01 -0.90 -3.08 115.64 121.28 2kco s THR 62 Ca 0.62 -1.80 0.04 0.00 0.31 0.00 0.00 61.69 60.85 2kco s THR 62 Cb -0.33 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.52 2kco s THR 62 CO 0.30 -0.40 -0.17 0.00 -0.69 0.00 0.00 174.62 173.66 2kco s ALA 63 N -2.16 1.58 -0.58 7.40 0.00 -0.30 -1.42 121.76 126.28 2kco s ALA 63 Ca 0.12 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 2kco s ALA 63 Cb -0.05 -0.58 0.15 0.00 0.00 0.00 0.00 23.12 22.64 2kco s ALA 63 CO 0.04 0.23 0.47 1.21 0.00 0.00 0.00 175.76 177.72 2kco s ASN 64 N 0.28 5.91 -0.17 0.00 2.47 -0.54 -1.56 114.94 121.33 2kco s ASN 64 Ca -0.10 -2.24 -0.29 0.00 0.42 0.00 0.00 52.86 50.66 2kco s ASN 64 Cb -0.14 -2.05 -0.00 0.00 -1.45 0.00 0.00 41.25 37.61 2kco s ASN 64 CO 0.04 -0.63 1.00 0.68 -3.72 0.00 0.00 177.10 174.47 2kco s VAL 65 N 0.88 4.75 -0.00 -5.21 -7.23 0.11 -0.86 120.40 112.82 2kco s VAL 65 Ca 0.10 2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 61.96 2kco s VAL 65 Cb -0.22 -4.29 -0.06 0.00 0.56 0.00 0.00 36.38 32.37 2kco s VAL 65 CO -0.03 -0.07 1.47 -0.22 -0.31 0.00 0.00 175.10 175.95 2kco s LEU 66 N 2.53 4.32 -0.55 1.32 1.98 -0.69 0.77 118.68 128.37 2kco s LEU 66 Ca 0.45 2.18 -0.19 0.00 -2.89 0.00 0.00 54.13 53.68 2kco s LEU 66 Cb -0.17 -3.56 0.08 0.00 0.66 0.00 0.00 46.19 43.21 2kco s LEU 66 CO 0.12 -0.78 0.64 -0.62 -1.89 0.00 0.00 176.35 173.82 2kco s ASP 67 N 2.18 6.20 0.28 3.68 2.15 -0.31 -3.39 116.67 127.46 2kco s ASP 67 Ca 0.66 -1.24 0.21 0.00 0.43 0.00 0.00 52.55 52.61 2kco s ASP 67 Cb -0.33 -2.28 1.05 0.00 -0.30 0.00 0.00 42.92 41.05 2kco s ASP 67 CO 0.27 -0.98 1.63 -0.81 -0.17 0.00 0.00 175.17 175.11 2kco n PRO 68 N 6.14 0.14 -0.04 4.34 -0.04 -1.26 0.10 135.00 144.38 2kco n PRO 68 Ca -0.09 0.57 -0.11 0.00 -0.04 0.00 0.00 63.50 63.83 2kco n PRO 68 Cb 0.44 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 31.94 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 2.08 0.20 -0.01 0.55 0.00 -1.93 -3.32 119.26 116.84 2kco h ALA 69 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kco h ALA 69 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2kco h ALA 69 CO 0.00 -0.15 -0.05 0.25 0.00 0.00 0.00 179.25 179.30 2kco n THR 70 N -4.81 0.00 -3.71 0.00 -2.24 -1.12 -5.02 114.28 97.38 2kco n THR 70 Ca -0.05 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 61.04 2kco n THR 70 Cb 0.17 1.11 0.03 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.08 -1.26 -4.03 3.42 2.85 0.12 -5.03 115.26 111.40 2kco n ASN 71 Ca 0.03 -0.82 -0.16 0.00 -0.11 0.00 0.00 54.58 53.53 2kco n ASN 71 Cb 0.15 -4.06 -0.13 0.00 1.24 0.00 0.00 39.78 36.98 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 -3.66 0.62 0.37 -0.44 -4.23 -1.13 -4.93 115.64 102.24 2kco s THR 72 Ca 0.02 -0.67 -0.14 0.00 -1.18 0.00 0.00 61.69 59.72 2kco s THR 72 Cb -0.01 -0.59 -0.08 0.00 1.34 0.00 0.00 72.50 73.16 2kco s THR 72 CO 0.81 -0.06 0.77 0.00 -0.54 0.00 0.00 174.62 175.60 2kco s ALA 73 N -0.69 3.31 -0.17 3.99 0.00 -1.26 -1.16 121.76 125.78 2kco s ALA 73 Ca -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 2kco s ALA 73 Cb -0.06 -2.77 0.09 0.00 0.00 0.00 0.00 23.12 20.37 2kco s ALA 73 CO 0.00 0.17 0.28 0.21 0.00 0.00 0.00 175.76 176.42 2kco s LYS 74 N -3.36 0.20 -0.48 0.00 2.20 0.23 -4.92 119.74 113.62 2kco s LYS 74 Ca 0.54 0.56 -0.15 0.00 -0.36 0.00 0.00 55.97 56.55 2kco s LYS 74 Cb -0.10 -0.45 0.08 0.00 -1.51 0.00 0.00 37.83 35.85 2kco s LYS 74 CO 0.23 -0.46 0.40 0.21 -0.36 0.00 0.00 175.35 175.38 2kco s LYS 75 N 2.42 2.97 0.08 4.03 2.20 -1.26 -0.72 119.74 129.46 2kco s LYS 75 Ca 0.05 -1.39 0.08 0.00 -0.36 0.00 0.00 55.97 54.34 2kco s LYS 75 Cb -0.14 -4.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.01 2kco s LYS 75 CO -0.11 -1.06 -0.20 0.14 -0.36 0.00 0.00 175.35 173.76 2kco s VAL 76 N 1.63 1.66 0.62 4.02 -7.23 -0.60 -4.98 120.40 115.52 2kco s VAL 76 Ca 0.04 -1.43 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 2kco s VAL 76 Cb -0.25 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 2kco s VAL 76 CO 0.06 0.00 1.13 -0.75 -0.31 0.00 0.00 175.10 175.23 2kco s LYS 77 N -1.70 2.94 -0.06 4.82 2.20 -1.26 -1.14 119.74 125.54 2kco s LYS 77 Ca 0.06 1.52 -0.24 0.00 -0.36 0.00 0.00 55.97 56.95 2kco s LYS 77 Cb -0.10 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 2kco s LYS 77 CO 0.03 -1.16 0.73 0.42 -0.36 0.00 0.00 175.35 175.02 2kco s ILE 78 N -2.07 5.02 0.00 5.43 1.01 -1.18 -2.88 121.20 126.53 2kco s ILE 78 Ca 0.70 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.86 2kco s ILE 78 Cb -0.23 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.17 2kco s ILE 78 CO 0.36 0.23 0.00 0.18 0.00 0.00 0.00 174.94 175.72 2kco n LEU 79 N 3.85 0.89 -3.53 2.97 4.32 -0.40 -5.01 117.00 120.09 2kco n LEU 79 Ca -0.00 0.15 -0.16 0.00 -0.02 0.00 0.00 56.01 55.98 2kco n LEU 79 Cb 0.51 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 42.00 2kco n LEU 79 CO 0.48 -0.25 0.51 -1.83 -1.22 0.00 0.00 177.39 175.07 2kco s GLU 80 N -0.51 0.97 -0.24 3.23 -1.05 -1.20 -4.99 118.70 114.92 2kco s GLU 80 Ca 0.00 0.19 -0.22 0.00 -0.15 0.00 0.00 54.97 54.79 2kco s GLU 80 Cb 0.00 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.13 2kco s GLU 80 CO 0.00 -0.31 0.70 0.96 0.95 0.00 0.00 175.26 177.56 2kco s ILE 81 N -1.35 4.94 -0.04 1.83 -0.00 -1.26 -0.53 121.20 124.78 2kco s ILE 81 Ca -0.08 1.30 -0.01 0.00 -0.00 0.00 0.00 60.65 61.86 2kco s ILE 81 Cb -0.00 -4.00 -0.00 0.00 -0.00 0.00 0.00 42.46 38.45 2kco s ILE 81 CO 0.07 0.01 -0.01 -0.07 -0.00 0.00 0.00 174.94 174.93 2kco h LEU 82 N 8.89 0.00 -8.56 0.37 -0.00 -1.32 -3.42 115.31 111.26 2kco h LEU 82 Ca -0.26 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.08 2kco h LEU 82 Cb 1.12 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.72 2kco h LEU 82 CO 0.81 0.20 1.11 -0.70 -0.00 0.00 0.00 178.44 179.86 2kco s GLU 83 N -1.24 3.24 -0.32 1.13 2.12 -1.22 -4.97 118.70 117.43 2kco s GLU 83 Ca -0.01 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 2kco s GLU 83 Cb 0.00 -4.15 0.01 0.00 0.26 0.00 0.00 34.13 30.26 2kco s GLU 83 CO 0.01 -2.01 1.11 0.95 -0.54 0.00 0.00 175.26 174.78 2kco s THR 84 N 6.24 4.44 0.96 -1.70 -4.23 -1.26 -3.55 115.64 116.53 2kco s THR 84 Ca 0.52 1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 62.57 2kco s THR 84 Cb -0.11 -4.38 0.16 0.00 1.34 0.00 0.00 72.50 69.52 2kco s THR 84 CO 0.24 -0.49 1.09 -2.16 -0.54 0.00 0.00 174.62 172.75 2kco s PRO 85 N 3.75 0.76 0.51 3.99 0.04 -1.26 -4.85 135.00 137.93 2kco s PRO 85 Ca 0.47 0.86 0.22 0.00 0.04 0.00 0.00 61.00 62.59 2kco s PRO 85 Cb -0.13 -1.75 1.30 0.00 0.04 0.00 0.00 34.50 33.96 2kco s PRO 85 CO 0.17 -2.59 2.01 0.00 0.04 0.00 0.00 177.00 176.63 2kco h ALA 86 N -1.81 2.33 -0.88 8.56 0.00 -2.02 0.11 119.26 125.56 2kco h ALA 86 Ca -0.51 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 53.75 2kco h ALA 86 Cb 1.30 0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.84 2kco h ALA 86 CO 0.53 -0.47 0.81 0.27 0.00 0.00 0.00 179.25 180.39 2kco n ASN 87 N -4.42 7.37 -0.04 0.00 6.94 -1.26 -4.63 115.26 119.21 2kco n ASN 87 Ca 0.08 -3.64 0.08 0.00 -0.02 0.00 0.00 54.58 51.09 2kco n ASN 87 Cb 0.50 -1.03 0.46 0.00 -2.36 0.00 0.00 39.78 37.34 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 2.23 0.47 -0.93 -3.83 -0.00 -1.30 -1.50 116.57 111.70 2kco h LYS 88 Ca 0.53 -0.03 0.20 0.00 -0.00 0.00 0.00 60.65 61.35 2kco h LYS 88 Cb 0.64 -0.11 -0.08 0.00 -0.00 0.00 0.00 32.23 32.69 2kco h LYS 88 CO 1.37 0.31 0.61 1.05 -0.00 0.00 0.00 179.45 182.78 2kco h GLU 89 N 0.48 0.48 0.06 0.07 4.11 -1.85 -1.47 114.58 116.45 2kco h GLU 89 Ca 0.22 -0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.43 2kco h GLU 89 Cb 0.25 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2kco h GLU 89 CO -0.06 0.32 -0.95 -0.07 0.07 0.00 0.00 179.01 178.31 2kco h LEU 90 N 0.49 0.20 -1.75 3.06 3.38 -1.56 -3.33 115.31 115.80 2kco h LEU 90 Ca 0.50 -0.81 0.24 0.00 0.09 0.00 0.00 57.88 57.90 2kco h LEU 90 Cb 1.12 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2kco h LEU 90 CO -0.22 1.41 0.63 0.00 0.09 0.00 0.00 178.44 180.35 2kco h ALA 91 N -0.13 2.56 0.00 1.53 0.00 -0.40 0.77 119.26 123.58 2kco h ALA 91 Ca -0.22 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 2kco h ALA 91 Cb 1.44 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2kco h ALA 91 CO -0.01 -0.84 -0.73 0.00 0.00 0.00 0.00 179.25 177.67 2kco h ARG 92 N 0.19 0.00 0.00 0.00 3.08 -1.43 -2.28 114.38 113.93 2kco h ARG 92 Ca 0.46 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.49 2kco h ARG 92 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 2kco h ARG 92 CO -0.10 0.73 -0.11 0.00 -1.07 0.00 0.00 179.97 179.42 2kco h ARG 93 N 0.00 0.00 0.00 0.04 3.08 -1.18 -3.47 114.38 112.85 2kco h ARG 93 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2kco h ARG 93 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 2kco h ARG 93 CO 0.09 0.11 0.00 0.41 -1.07 0.00 0.00 179.97 179.51 2kco n GLY 94 N -0.14 0.76 3.48 0.04 0.00 -0.73 -4.94 105.19 103.66 2kco n GLY 94 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 4.79 -0.06 -0.61 -1.09 0.09 -4.88 121.20 117.44 2kco s ILE 95 Ca 0.00 -2.20 -0.08 0.00 -2.23 0.00 0.00 60.65 56.15 2kco s ILE 95 Cb 0.00 -4.92 -0.04 0.00 -1.58 0.00 0.00 42.46 35.91 2kco s ILE 95 CO 0.00 -1.66 0.22 -0.63 -1.23 0.00 0.00 174.94 171.64 2kco s ILE 96 N 2.34 5.37 -0.04 2.92 1.01 -1.26 -1.58 121.20 129.95 2kco s ILE 96 Ca 0.42 0.26 -0.12 0.00 0.00 0.00 0.00 60.65 61.20 2kco s ILE 96 Cb -0.02 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2kco s ILE 96 CO -0.02 0.51 0.32 -0.51 0.00 0.00 0.00 174.94 175.24 2kco s ILE 97 N -1.14 5.19 -0.26 2.92 2.07 -1.26 -4.12 121.20 124.60 2kco s ILE 97 Ca 0.21 0.63 -0.36 0.00 -1.41 0.00 0.00 60.65 59.72 2kco s ILE 97 Cb -0.13 -3.61 -0.12 0.00 0.13 0.00 0.00 42.46 38.73 2kco s ILE 97 CO 0.10 0.59 2.00 -1.14 -1.91 0.00 0.00 174.94 174.58 2kco n ARG 98 N 1.88 1.42 0.00 3.50 0.63 -1.26 -2.22 116.66 120.61 2kco n ARG 98 Ca -0.16 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 2kco n ARG 98 Cb 0.53 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 31.00 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kco n GLY 99 N 5.36 1.26 3.75 5.14 0.00 -0.07 -5.00 105.19 115.63 2kco n GLY 99 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 3.48 0.31 4.61 0.00 -0.94 -4.89 121.76 122.32 2kco s ALA 100 Ca 0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.61 2kco s ALA 100 Cb 0.00 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 2kco s ALA 100 CO 0.00 0.09 0.94 0.15 0.00 0.00 0.00 175.76 176.94 2kco s LYS 101 N 0.22 4.64 0.03 0.00 3.01 -1.23 -2.73 119.74 123.68 2kco s LYS 101 Ca 0.29 1.37 -0.06 0.00 -1.01 0.00 0.00 55.97 56.55 2kco s LYS 101 Cb -0.17 -2.90 -0.01 0.00 -1.01 0.00 0.00 37.83 33.74 2kco s LYS 101 CO 0.14 0.33 0.12 -1.50 0.51 0.00 0.00 175.35 174.94 2kco s ILE 102 N -1.52 0.12 -0.13 2.17 2.07 -0.11 -0.84 121.20 122.96 2kco s ILE 102 Ca 0.48 -0.96 -0.01 0.00 -1.41 0.00 0.00 60.65 58.75 2kco s ILE 102 Cb -0.20 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2kco s ILE 102 CO 0.26 -0.53 -0.10 -0.13 -1.91 0.00 0.00 174.94 172.52 2kco s ARG 103 N -2.27 3.40 0.54 3.50 0.52 0.31 -1.07 118.95 123.88 2kco s ARG 103 Ca -0.08 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 54.53 2kco s ARG 103 Cb -0.03 -2.69 0.03 0.00 0.52 0.00 0.00 34.95 32.77 2kco s ARG 103 CO -0.03 0.26 0.24 0.95 0.02 0.00 0.00 175.30 176.74 2kco s THR 104 N 0.25 1.34 -0.53 0.02 -4.23 -0.55 -1.28 115.64 110.66 2kco s THR 104 Ca -0.07 -1.71 0.25 0.00 -1.18 0.00 0.00 61.69 58.98 2kco s THR 104 Cb -0.15 -2.05 0.27 0.00 1.34 0.00 0.00 72.50 71.91 2kco s THR 104 CO 0.05 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 175.54 2kco h GLU 105 N 0.95 0.00 0.01 3.99 5.08 -1.81 -3.31 114.58 119.49 2kco h GLU 105 Ca -0.39 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 0.00 179.01 178.64 2kco h ALA 106 N 2.33 -0.03 -2.66 3.43 0.00 -1.94 -3.51 119.26 116.89 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kco h ALA 106 CO 0.00 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2kco n GLY 107 N 1.84 2.30 3.70 0.00 0.00 -1.25 -5.12 105.19 106.66 2kco n GLY 107 Ca -0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 0.15 0.99 2.96 -1.26 -1.48 118.68 124.38 2kco s LEU 108 Ca 0.00 2.19 0.05 0.00 -0.22 0.00 0.00 54.13 56.16 2kco s LEU 108 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 2kco s LEU 108 CO 0.00 -0.67 -0.12 0.00 -1.32 0.00 0.00 176.35 174.25 2kco s ALA 109 N 1.74 1.55 -0.16 5.97 0.00 -0.23 -1.87 121.76 128.77 2kco s ALA 109 Ca 0.64 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2kco s ALA 109 Cb -0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2kco s ALA 109 CO 0.28 -0.02 -0.15 0.54 0.00 0.00 0.00 175.76 176.41 2kco s VAL 110 N -2.98 2.65 -0.01 0.00 0.11 -0.27 -0.93 120.40 118.98 2kco s VAL 110 Ca 0.16 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.14 2kco s VAL 110 Cb 0.00 -2.12 -0.07 0.00 -1.53 0.00 0.00 36.38 32.66 2kco s VAL 110 CO 0.02 0.51 1.79 0.68 -3.33 0.00 0.00 175.10 174.77 2kco s VAL 111 N 0.88 3.30 -0.45 2.04 -7.23 -1.10 -0.86 120.40 116.96 2kco s VAL 111 Ca -0.04 0.39 0.11 0.00 -1.81 0.00 0.00 61.98 60.64 2kco s VAL 111 Cb -0.15 -3.25 0.31 0.00 0.56 0.00 0.00 36.38 33.85 2kco s VAL 111 CO -0.01 -0.03 1.25 0.35 -0.31 0.00 0.00 175.10 176.34 2kco n THR 112 N 5.45 1.47 -4.13 5.32 -2.24 -0.32 -0.89 114.28 118.94 2kco n THR 112 Ca 0.18 -1.40 -0.13 0.00 -2.27 0.00 0.00 64.05 60.43 2kco n THR 112 Cb 0.42 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 2kco n THR 112 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kco s SER 113 N -1.48 0.52 0.70 3.42 0.01 -1.00 -4.97 113.70 110.89 2kco s SER 113 Ca 0.25 -1.35 -0.11 0.00 1.31 0.00 0.00 55.95 56.05 2kco s SER 113 Cb 0.18 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.96 2kco s SER 113 CO 0.09 -1.07 1.07 0.00 0.41 0.00 0.00 173.24 173.74 2kco s ARG 114 N -3.72 2.89 -0.08 12.44 1.70 -1.26 -4.09 118.95 126.83 2kco s ARG 114 Ca 0.33 0.69 -0.33 0.00 -0.47 0.00 0.00 55.73 55.95 2kco s ARG 114 Cb 0.02 -2.01 -0.11 0.00 -0.57 0.00 0.00 34.95 32.29 2kco s ARG 114 CO 0.16 -1.07 1.93 -2.30 -1.08 0.00 0.00 175.30 172.94 2kco n PRO 115 N -3.07 2.29 -1.46 3.89 -0.02 -1.26 -4.37 135.00 131.01 2kco n PRO 115 Ca 0.07 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 62.08 2kco n PRO 115 Cb 0.55 -2.75 0.09 0.00 -0.02 0.00 0.00 33.50 31.38 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 4.47 1.64 0.36 -1.23 0.00 0.07 -4.94 107.32 107.68 2kco s GLY 116 Ca 0.93 -0.06 0.27 0.00 0.00 0.00 0.00 44.72 45.86 2kco s GLY 116 CO 0.49 0.34 1.78 1.46 0.00 0.00 0.00 173.10 177.17 2kco h GLN 117 N -1.10 0.00 0.00 2.90 4.20 -1.94 -1.76 115.11 117.40 2kco h GLN 117 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2kco h GLN 117 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2kco h GLN 117 CO 0.57 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.48 2kco n ASP 118 N -2.62 0.79 -0.16 1.46 8.00 -1.26 -4.92 116.55 117.84 2kco n ASP 118 Ca 0.03 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2kco n ASP 118 Cb 0.35 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kco n GLY 119 N 0.74 1.06 2.85 0.44 0.00 -0.66 -5.02 105.19 104.59 2kco n GLY 119 Ca 0.04 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 2kco n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s VAL 120 N -2.32 0.30 -0.28 1.61 0.11 -1.24 -2.11 120.40 116.49 2kco s VAL 120 Ca 0.00 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.00 2kco s VAL 120 Cb 0.00 -0.37 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2kco s VAL 120 CO 0.00 0.17 0.06 -0.63 -3.33 0.00 0.00 175.10 171.38 2kco s ILE 121 N 0.98 3.97 0.17 7.04 1.09 -0.50 -0.75 121.20 133.19 2kco s ILE 121 Ca -0.10 -0.55 -0.31 0.00 -1.10 0.00 0.00 60.65 58.58 2kco s ILE 121 Cb -0.14 -2.98 -0.10 0.00 -1.06 0.00 0.00 42.46 38.19 2kco s ILE 121 CO -0.01 0.18 1.54 0.20 -0.10 0.00 0.00 174.94 176.76 2kco s ASN 122 N 1.52 6.61 0.27 3.58 0.01 -1.26 -1.47 114.94 124.21 2kco s ASN 122 Ca 0.04 2.60 0.03 0.00 -0.71 0.00 0.00 52.86 54.82 2kco s ASN 122 Cb -0.16 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.85 2kco s ASN 122 CO 0.02 -0.80 0.06 0.00 -1.51 0.00 0.00 177.10 174.87 2kco s ALA 123 N 1.04 1.96 -0.10 0.60 0.00 -0.04 -1.18 121.76 124.03 2kco s ALA 123 Ca 0.69 -1.91 0.02 0.00 0.00 0.00 0.00 51.96 50.76 2kco s ALA 123 Cb -0.43 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.50 2kco s ALA 123 CO 0.32 -0.36 -0.17 0.08 0.00 0.00 0.00 175.76 175.63 2kco s VAL 124 N -3.53 1.62 0.07 0.00 1.01 -0.04 -1.70 120.40 117.84 2kco s VAL 124 Ca 0.35 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 2kco s VAL 124 Cb 0.08 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 2kco s VAL 124 CO 0.13 0.46 1.63 -0.76 0.00 0.00 0.00 175.10 176.57 2kco s LEU 125 N 0.80 4.36 0.00 3.92 1.43 -1.22 -1.11 118.68 126.86 2kco s LEU 125 Ca -0.10 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2kco s LEU 125 Cb -0.16 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2kco s LEU 125 CO 0.01 -0.87 0.95 0.18 0.23 0.00 0.00 176.35 176.85 2kco n LEU 126 N 5.48 0.02 -4.56 1.79 4.32 -0.78 -4.68 117.00 118.59 2kco n LEU 126 Ca 0.16 -0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 55.99 2kco n LEU 126 Cb 0.41 -0.01 -0.07 0.00 -1.62 0.00 0.00 43.42 42.12 2kco n LEU 126 CO 0.62 0.01 1.22 -0.54 -1.22 0.00 0.00 177.39 177.48 2kco s LYS 127 N -1.97 1.64 0.22 3.23 -0.14 -1.26 -4.95 119.74 116.50 2kco s LYS 127 Ca 0.00 0.39 -0.13 0.00 -1.36 0.00 0.00 55.97 54.87 2kco s LYS 127 Cb 0.00 -4.81 -0.07 0.00 -1.68 0.00 0.00 37.83 31.26 2kco s LYS 127 CO 0.00 -4.44 0.60 -0.80 -0.76 0.00 0.00 175.35 169.95 2kco s ASN 128 N 10.59 6.75 -1.13 2.83 0.01 -1.26 -4.70 114.94 128.03 2kco s ASN 128 Ca 0.91 1.07 -0.22 0.00 -0.71 0.00 0.00 52.86 53.91 2kco s ASN 128 Cb -0.12 -2.29 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 2kco s ASN 128 CO 0.08 -0.03 1.80 -1.83 -1.51 0.00 0.00 177.10 175.61 2kco s GLU 129 N -2.50 3.08 -0.43 -0.60 -1.05 -1.26 -4.77 118.70 111.17 2kco s GLU 129 Ca 0.45 -1.19 0.05 0.00 -0.15 0.00 0.00 54.97 54.12 2kco s GLU 129 Cb -0.13 -5.30 0.66 0.00 -0.44 0.00 0.00 34.13 28.92 2kco s GLU 129 CO 0.20 -3.11 1.89 -1.13 0.95 0.00 0.00 175.26 174.06 2kco n SER 130 N 11.80 3.72 -0.27 0.83 3.41 -1.26 -4.43 113.62 127.42 2kco n SER 130 Ca 0.43 -3.60 -0.07 0.00 -0.26 0.00 0.00 58.87 55.37 2kco n SER 130 Cb 0.47 -0.82 0.06 0.00 -0.26 0.00 0.00 64.21 63.66 2kco n SER 130 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2kco h GLN 131 N 1.09 1.17 -4.69 4.33 5.75 -2.05 -3.21 115.11 117.49 2kco h GLN 131 Ca 0.59 -0.25 -0.73 0.00 -0.15 0.00 0.00 58.65 58.11 2kco h GLN 131 Cb 2.78 -0.17 -0.16 0.00 1.07 0.00 0.00 27.48 31.00 2kco h GLN 131 CO 1.05 0.99 1.64 0.54 -2.65 0.00 0.00 178.83 180.39 2kco n ARG 132 N -4.25 3.37 0.00 1.69 5.12 -1.26 -5.34 116.66 115.99 2kco n ARG 132 Ca 0.06 -3.68 0.13 0.00 -1.93 0.00 0.00 57.85 52.42 2kco n ARG 132 Cb 0.23 -3.10 0.75 0.00 -1.16 0.00 0.00 32.46 29.18 2kco n ARG 132 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13