#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgt h VAL 2 N 0.00 0.71 -1.89 1.12 2.07 -2.13 -3.38 116.25 112.75 2kgt h VAL 2 Ca 0.00 -2.34 -0.75 0.00 0.82 0.00 0.00 66.70 64.44 2kgt h VAL 2 Cb 0.00 2.50 -0.28 0.00 -1.52 0.00 0.00 31.29 31.99 2kgt h VAL 2 CO 0.00 0.81 0.90 -1.20 0.02 0.00 0.00 177.57 178.10 2kgt n SER 3 N -3.65 7.30 0.12 0.57 7.64 -1.26 -4.58 113.62 119.76 2kgt n SER 3 Ca -0.31 -3.83 0.00 0.00 1.01 0.00 0.00 58.87 55.75 2kgt n SER 3 Cb 0.99 -1.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 2kgt n SER 3 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2kgt h ARG 4 N 2.90 0.00 -7.22 1.43 0.11 -2.10 -3.46 114.38 106.04 2kgt h ARG 4 Ca 0.55 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 60.15 2kgt h ARG 4 Cb 0.15 0.00 0.20 0.00 1.11 0.00 0.00 29.97 31.43 2kgt h ARG 4 CO 1.40 0.59 0.13 -0.51 0.10 0.00 0.00 179.97 181.68 2kgt s ASP 5 N -6.47 2.11 -1.10 0.08 1.01 -1.26 -4.94 116.67 106.10 2kgt s ASP 5 Ca 0.03 1.85 -0.07 0.00 0.71 0.00 0.00 52.55 55.06 2kgt s ASP 5 Cb 0.08 -2.43 0.29 0.00 1.01 0.00 0.00 42.92 41.87 2kgt s ASP 5 CO 0.76 -3.55 1.22 0.00 0.21 0.00 0.00 175.17 173.81 2kgt n GLN 6 N -4.51 3.79 0.20 8.23 3.00 -1.26 -4.79 117.38 122.04 2kgt n GLN 6 Ca 0.08 -4.49 0.08 0.00 -0.01 0.00 0.00 57.00 52.65 2kgt n GLN 6 Cb 0.53 -2.53 0.29 0.00 0.00 0.00 0.00 30.24 28.53 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kgt h ALA 7 N 6.23 0.91 0.00 -1.58 0.00 -1.94 -3.26 119.26 119.62 2kgt h ALA 7 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kgt h ALA 7 Cb 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kgt h ALA 7 CO 1.11 0.37 -1.25 -2.39 0.00 0.00 0.00 179.25 177.08 2kgt n HIS 8 N -3.31 0.00 -3.87 0.00 -0.00 -1.26 -5.03 115.22 101.74 2kgt n HIS 8 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 2kgt n HIS 8 Cb 0.54 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.99 30.35 2kgt n HIS 8 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2kgt s LEU 9 N -3.44 2.70 0.36 2.39 1.02 -1.23 -5.14 118.68 115.34 2kgt s LEU 9 Ca -0.02 -1.25 0.06 0.00 0.02 0.00 0.00 54.13 52.94 2kgt s LEU 9 Cb 0.06 -1.19 -0.01 0.00 0.02 0.00 0.00 46.19 45.08 2kgt s LEU 9 CO 0.38 -1.12 0.52 -0.83 0.02 0.00 0.00 176.35 175.32 2kgt s GLY 10 N -4.29 1.62 0.00 -3.19 0.00 -1.26 -4.74 107.32 95.46 2kgt s GLY 10 Ca 0.34 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2kgt s GLY 10 CO 0.21 -1.30 0.07 -1.55 0.00 0.00 0.00 173.10 170.54 2kgt n PRO 11 N -1.74 0.00 -4.31 2.90 -0.04 -1.26 -4.92 135.00 125.63 2kgt n PRO 11 Ca 0.01 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 2kgt n PRO 11 Cb 0.58 -0.40 -0.08 0.00 -0.04 0.00 0.00 33.50 33.56 2kgt n PRO 11 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kgt s LYS 12 N -0.15 2.15 0.14 0.54 3.01 -1.26 -4.73 119.74 119.44 2kgt s LYS 12 Ca 0.00 -1.56 0.09 0.00 -1.01 0.00 0.00 55.97 53.48 2kgt s LYS 12 Cb 0.00 -2.04 -0.04 0.00 -1.01 0.00 0.00 37.83 34.74 2kgt s LYS 12 CO 0.00 0.28 -0.20 0.71 0.51 0.00 0.00 175.35 176.65 2kgt s TYR 13 N -2.41 1.85 -0.01 3.18 1.51 0.90 -3.98 117.35 118.39 2kgt s TYR 13 Ca 0.33 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.93 2kgt s TYR 13 Cb -0.04 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 40.84 2kgt s TYR 13 CO 0.19 0.29 0.05 0.08 -1.11 0.00 0.00 175.55 175.05 2kgt s VAL 14 N -1.61 0.02 0.00 0.71 1.01 -1.16 -2.59 120.40 116.78 2kgt s VAL 14 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2kgt s VAL 14 Cb -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 36.38 36.18 2kgt s VAL 14 CO 0.06 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2kgt n GLY 15 N 2.80 -0.55 2.34 4.51 0.00 -1.26 -0.14 105.19 112.89 2kgt n GLY 15 Ca -0.14 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 2kgt n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kgt n LEU 16 N 0.00 -0.36 -4.22 0.99 4.77 -1.26 -2.96 117.00 113.95 2kgt n LEU 16 Ca 0.00 -4.44 -0.34 0.00 -0.03 0.00 0.00 56.01 51.20 2kgt n LEU 16 Cb 0.00 0.58 0.10 0.00 -2.33 0.00 0.00 43.42 41.77 2kgt n LEU 16 CO 0.00 1.92 -0.77 1.87 -1.33 0.00 0.00 177.39 179.08 2kgt n TRP 17 N 2.41 -2.44 -1.50 -1.77 -0.00 -1.26 -0.20 117.44 112.68 2kgt n TRP 17 Ca 0.27 0.20 -0.41 0.00 -0.00 0.00 0.00 57.50 57.55 2kgt n TRP 17 Cb 0.50 -1.59 -0.08 0.00 -0.00 0.00 0.00 31.31 30.13 2kgt n TRP 17 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 2kgt n ASP 18 N 0.49 1.52 -3.66 5.87 -0.08 -1.26 -4.22 116.55 115.21 2kgt n ASP 18 Ca 0.02 -0.04 -0.12 0.00 -1.51 0.00 0.00 54.79 53.14 2kgt n ASP 18 Cb 0.59 -1.26 -0.12 0.00 2.34 0.00 0.00 41.12 42.66 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 2kgt s PHE 19 N 9.92 -0.53 -0.33 -0.67 2.19 -1.17 -5.01 117.98 122.38 2kgt s PHE 19 Ca 1.15 1.14 0.04 0.00 0.33 0.00 0.00 56.93 59.58 2kgt s PHE 19 Cb -0.74 0.06 0.10 0.00 -1.31 0.00 0.00 43.02 41.13 2kgt s PHE 19 CO 0.40 -0.39 0.04 0.15 1.83 0.00 0.00 175.22 177.25 2kgt s LYS 20 N 2.47 1.50 -0.09 10.12 -0.14 -1.26 -2.83 119.74 129.51 2kgt s LYS 20 Ca 0.00 -1.80 0.20 0.00 -1.36 0.00 0.00 55.97 53.01 2kgt s LYS 20 Cb -0.12 -3.12 -0.27 0.00 -1.68 0.00 0.00 37.83 32.63 2kgt s LYS 20 CO -0.10 -0.91 0.35 0.43 -0.76 0.00 0.00 175.35 174.36 2kgt n SER 21 N 4.29 0.11 -1.92 2.83 7.64 -1.26 -4.97 113.62 120.35 2kgt n SER 21 Ca 0.02 0.05 -0.18 0.00 1.01 0.00 0.00 58.87 59.77 2kgt n SER 21 Cb 0.42 1.33 -0.05 0.00 -1.01 0.00 0.00 64.21 64.91 2kgt n SER 21 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kgt n ARG 22 N -2.55 -1.61 -4.39 1.43 5.12 -1.26 -4.95 116.66 108.45 2kgt n ARG 22 Ca -0.17 0.97 -0.26 0.00 -1.93 0.00 0.00 57.85 56.46 2kgt n ARG 22 Cb 0.85 -5.44 -0.09 0.00 -1.16 0.00 0.00 32.46 26.62 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2kgt s THR 23 N -2.68 2.19 -0.14 0.55 -4.23 -1.25 -5.02 115.64 105.07 2kgt s THR 23 Ca 0.00 -1.88 0.30 0.00 -1.18 0.00 0.00 61.69 58.93 2kgt s THR 23 Cb 0.00 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.23 2kgt s THR 23 CO 0.00 -0.03 1.85 -2.24 -0.54 0.00 0.00 174.62 173.67 2kgt h ASP 24 N 1.64 0.00 0.08 3.99 3.04 -1.93 -3.28 116.42 119.96 2kgt h ASP 24 Ca -0.43 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.35 2kgt h ASP 24 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2kgt h ASP 24 CO 0.75 0.00 -0.04 -0.33 -2.04 0.00 0.00 179.24 177.58 2kgt h GLU 25 N 0.00 -0.10 -6.15 4.15 5.08 -1.88 -3.29 114.58 112.39 2kgt h GLU 25 Ca 0.00 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.84 2kgt h GLU 25 Cb 0.62 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2kgt h GLU 25 CO 0.00 0.09 -0.50 -1.21 -1.00 0.00 0.00 179.01 176.39 2kgt s GLU 26 N -2.08 3.17 0.17 2.33 2.02 -1.24 -1.11 118.70 121.96 2kgt s GLU 26 Ca -0.05 -0.81 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 2kgt s GLU 26 Cb -0.00 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 2kgt s GLU 26 CO 0.17 0.47 0.37 -0.51 0.02 0.00 0.00 175.26 175.77 2kgt s LEU 27 N -3.47 4.25 -0.93 1.80 1.02 -1.26 -3.74 118.68 116.35 2kgt s LEU 27 Ca 0.33 0.43 -0.09 0.00 0.02 0.00 0.00 54.13 54.82 2kgt s LEU 27 Cb -0.10 -3.18 0.24 0.00 0.02 0.00 0.00 46.19 43.17 2kgt s LEU 27 CO 0.26 0.00 0.87 -0.94 0.02 0.00 0.00 176.35 176.57 2kgt s SER 28 N -2.91 6.69 0.20 2.29 1.04 -1.26 -4.05 113.70 115.69 2kgt s SER 28 Ca 0.39 -3.24 -0.22 0.00 0.48 0.00 0.00 55.95 53.36 2kgt s SER 28 Cb -0.11 -2.12 0.05 0.00 0.10 0.00 0.00 66.02 63.94 2kgt s SER 28 CO 0.28 -0.37 0.63 -0.36 0.98 0.00 0.00 173.24 174.40 2kgt s PHE 29 N -0.68 -0.41 0.49 5.02 0.08 -1.13 -4.96 117.98 116.40 2kgt s PHE 29 Ca 0.24 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.44 2kgt s PHE 29 Cb -0.11 0.60 0.02 0.00 -0.57 0.00 0.00 43.02 42.96 2kgt s PHE 29 CO -0.09 -0.97 0.69 -0.98 -0.10 0.00 0.00 175.22 173.77 2kgt s ARG 30 N -3.81 2.75 1.00 0.44 1.70 -1.26 -3.02 118.95 116.75 2kgt s ARG 30 Ca 0.04 -0.82 -0.12 0.00 -0.47 0.00 0.00 55.73 54.36 2kgt s ARG 30 Cb -0.03 -2.58 0.19 0.00 -0.57 0.00 0.00 34.95 31.97 2kgt s ARG 30 CO -0.06 -0.48 1.08 0.00 -1.08 0.00 0.00 175.30 174.76 2kgt s ALA 31 N -2.60 0.84 0.00 7.88 0.00 0.72 -3.73 121.76 124.88 2kgt s ALA 31 Ca 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2kgt s ALA 31 Cb -0.10 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kgt s ALA 31 CO 0.37 -2.91 0.00 0.41 0.00 0.00 0.00 175.76 173.63 2kgt n GLY 32 N -0.68 1.63 3.86 0.00 0.00 -1.26 -4.97 105.19 103.77 2kgt n GLY 32 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2kgt n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kgt s ASP 33 N -3.29 6.59 -0.11 1.61 1.01 -1.24 -5.06 116.67 116.17 2kgt s ASP 33 Ca 0.00 1.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.58 2kgt s ASP 33 Cb 0.00 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2kgt s ASP 33 CO 0.00 -0.48 0.06 0.68 0.21 0.00 0.00 175.17 175.64 2kgt s VAL 34 N -2.47 4.80 0.17 -1.27 -7.23 -1.26 -4.49 120.40 108.66 2kgt s VAL 34 Ca 0.55 -0.06 -0.11 0.00 -1.81 0.00 0.00 61.98 60.55 2kgt s VAL 34 Cb -0.10 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2kgt s VAL 34 CO 0.30 0.60 0.35 0.72 -0.31 0.00 0.00 175.10 176.76 2kgt s PHE 35 N -0.81 0.26 0.21 2.82 -0.71 -1.07 -3.80 117.98 114.88 2kgt s PHE 35 Ca 0.13 -0.62 0.11 0.00 -1.04 0.00 0.00 56.93 55.50 2kgt s PHE 35 Cb -0.12 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.71 2kgt s PHE 35 CO 0.03 -0.78 -0.21 -1.58 -1.34 0.00 0.00 175.22 171.34 2kgt s HIS 36 N -3.94 2.14 -0.15 3.49 2.46 -1.08 -0.07 115.29 118.14 2kgt s HIS 36 Ca 0.15 -0.39 -0.19 0.00 0.47 0.00 0.00 55.06 55.10 2kgt s HIS 36 Cb 0.02 -1.02 -0.04 0.00 -0.13 0.00 0.00 32.58 31.41 2kgt s HIS 36 CO -0.01 0.51 0.52 0.14 -2.47 0.00 0.00 174.74 173.44 2kgt s VAL 37 N -2.07 5.13 -0.08 0.89 -7.23 -1.26 -2.15 120.40 113.62 2kgt s VAL 37 Ca 0.22 1.01 0.08 0.00 -1.81 0.00 0.00 61.98 61.49 2kgt s VAL 37 Cb -0.06 -3.85 -0.24 0.00 0.56 0.00 0.00 36.38 32.79 2kgt s VAL 37 CO 0.10 0.25 0.50 0.00 -0.31 0.00 0.00 175.10 175.64 2kgt n ALA 38 N 4.22 1.36 -3.63 1.32 0.00 -1.03 -4.97 120.51 117.77 2kgt n ALA 38 Ca -0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 2kgt n ALA 38 Cb 0.51 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.17 2kgt n ALA 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kgt s ARG 39 N -2.58 0.68 -0.26 0.00 3.52 -1.25 -5.02 118.95 114.04 2kgt s ARG 39 Ca -0.10 0.83 0.02 0.00 -0.13 0.00 0.00 55.73 56.35 2kgt s ARG 39 Cb 0.07 0.32 0.05 0.00 -1.56 0.00 0.00 34.95 33.84 2kgt s ARG 39 CO 0.81 -0.08 -0.09 -1.59 -0.81 0.00 0.00 175.30 173.53 2kgt s LYS 40 N 0.39 2.34 0.33 5.12 -2.85 -1.26 -0.20 119.74 123.60 2kgt s LYS 40 Ca 0.01 -1.29 0.08 0.00 -1.00 0.00 0.00 55.97 53.77 2kgt s LYS 40 Cb -0.05 -2.93 -0.04 0.00 -2.06 0.00 0.00 37.83 32.75 2kgt s LYS 40 CO -0.03 -0.55 0.18 -2.00 0.10 0.00 0.00 175.35 173.05 2kgt s GLU 41 N 1.15 2.51 0.39 1.78 -6.30 -1.11 -5.02 118.70 112.10 2kgt s GLU 41 Ca -0.07 -1.43 0.09 0.00 -2.50 0.00 0.00 54.97 51.06 2kgt s GLU 41 Cb -0.19 -2.29 0.80 0.00 0.00 0.00 0.00 34.13 32.45 2kgt s GLU 41 CO -0.05 0.14 1.95 1.05 0.02 0.00 0.00 175.26 178.37 2kgt h GLU 42 N 1.47 0.30 0.00 4.30 4.11 -2.04 -3.33 114.58 119.39 2kgt h GLU 42 Ca -0.44 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2kgt h GLU 42 Cb 1.25 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kgt h GLU 42 CO 0.61 0.37 0.00 1.04 0.07 0.00 0.00 179.01 181.10 2kgt n GLN 43 N -4.32 0.00 -4.24 1.06 6.02 -1.26 -5.00 117.38 109.64 2kgt n GLN 43 Ca -0.00 0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 57.11 2kgt n GLN 43 Cb 0.22 -0.83 -0.11 0.00 1.02 0.00 0.00 30.24 30.54 2kgt n GLN 43 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2kgt s TRP 44 N -0.73 1.33 -0.15 1.08 0.52 -1.25 -4.92 118.94 114.83 2kgt s TRP 44 Ca 0.00 -0.62 -0.05 0.00 0.02 0.00 0.00 56.10 55.44 2kgt s TRP 44 Cb 0.00 -0.69 -0.04 0.00 -1.15 0.00 0.00 33.47 31.60 2kgt s TRP 44 CO 0.00 0.12 0.03 -1.58 0.02 0.00 0.00 176.95 175.55 2kgt s TRP 45 N -2.55 3.21 -0.00 -1.98 0.52 -0.83 -2.75 118.94 114.55 2kgt s TRP 45 Ca 0.11 0.06 -0.26 0.00 0.02 0.00 0.00 56.10 56.04 2kgt s TRP 45 Cb -0.02 -1.97 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2kgt s TRP 45 CO 0.02 0.24 0.81 -1.58 0.02 0.00 0.00 176.95 176.46 2kgt s TRP 46 N -0.06 3.66 -0.01 -1.98 0.52 0.71 -0.44 118.94 121.36 2kgt s TRP 46 Ca 0.05 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.65 2kgt s TRP 46 Cb -0.12 -2.91 -0.00 0.00 -1.15 0.00 0.00 33.47 29.29 2kgt s TRP 46 CO 0.01 0.12 -0.04 0.00 0.02 0.00 0.00 176.95 177.06 2kgt s ALA 47 N 0.55 0.40 -0.08 0.98 0.00 -0.58 -2.47 121.76 120.57 2kgt s ALA 47 Ca 0.42 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.25 2kgt s ALA 47 Cb -0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.79 2kgt s ALA 47 CO 0.23 0.08 -0.22 0.99 0.00 0.00 0.00 175.76 176.84 2kgt s THR 48 N 0.01 1.88 -0.34 0.00 2.01 -0.91 -2.81 115.64 115.47 2kgt s THR 48 Ca 0.00 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.91 2kgt s THR 48 Cb -0.03 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 2kgt s THR 48 CO -0.00 0.52 0.45 -0.76 -0.69 0.00 0.00 174.62 174.13 2kgt s LEU 49 N 0.28 4.35 0.30 4.42 1.43 -0.37 -2.63 118.68 126.46 2kgt s LEU 49 Ca -0.15 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 2kgt s LEU 49 Cb -0.16 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2kgt s LEU 49 CO 0.07 -0.40 0.09 -0.76 0.23 0.00 0.00 176.35 175.58 2kgt s LEU 50 N 2.23 3.30 1.07 1.79 1.43 -1.25 -0.19 118.68 127.06 2kgt s LEU 50 Ca 0.16 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 2kgt s LEU 50 Cb -0.16 -1.81 0.25 0.00 0.03 0.00 0.00 46.19 44.50 2kgt s LEU 50 CO 0.12 -0.14 1.29 -0.62 0.23 0.00 0.00 176.35 177.24 2kgt s ASP 51 N -3.77 2.16 0.40 2.29 2.15 0.84 -4.75 116.67 115.99 2kgt s ASP 51 Ca 0.34 0.24 0.08 0.00 0.43 0.00 0.00 52.55 53.64 2kgt s ASP 51 Cb -0.05 -0.23 0.85 0.00 -0.30 0.00 0.00 42.92 43.19 2kgt s ASP 51 CO 0.22 -3.32 2.02 1.05 -0.17 0.00 0.00 175.17 174.96 2kgt h GLU 52 N -2.05 0.58 0.00 4.34 4.11 -1.96 -0.03 114.58 119.57 2kgt h GLU 52 Ca -0.43 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kgt h GLU 52 Cb 1.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2kgt h GLU 52 CO 0.30 0.38 0.00 0.00 0.07 0.00 0.00 179.01 179.77 2kgt h ALA 53 N 1.69 1.00 0.00 1.06 0.00 -2.04 -3.47 119.26 117.51 2kgt h ALA 53 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2kgt h ALA 53 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kgt h ALA 53 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2kgt n GLY 54 N 1.06 0.92 3.63 0.00 0.00 -0.03 -5.07 105.19 105.71 2kgt n GLY 54 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2kgt n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kgt s GLY 55 N -1.68 1.12 0.77 -0.02 0.00 -1.26 -4.43 107.32 101.82 2kgt s GLY 55 Ca 0.00 0.81 -0.15 0.00 0.00 0.00 0.00 44.72 45.38 2kgt s GLY 55 CO 0.00 3.34 0.49 0.00 0.00 0.00 0.00 173.10 176.94 2kgt n ALA 56 N 8.95 -1.77 0.07 3.20 0.00 -1.26 -0.11 120.51 129.59 2kgt n ALA 56 Ca 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kgt n ALA 56 Cb 0.44 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.05 2kgt n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kgt n VAL 57 N -2.64 0.00 -4.34 0.00 0.31 0.74 -4.73 118.33 107.67 2kgt n VAL 57 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.10 2kgt n VAL 57 Cb 0.51 -0.22 -0.09 0.00 -0.91 0.00 0.00 33.84 33.13 2kgt n VAL 57 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kgt s ALA 58 N -1.99 3.19 -0.06 3.52 0.00 -0.99 -4.99 121.76 120.43 2kgt s ALA 58 Ca 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2kgt s ALA 58 Cb 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.88 2kgt s ALA 58 CO 0.00 0.64 -0.08 -0.65 0.00 0.00 0.00 175.76 175.66 2kgt s GLN 59 N -1.52 1.25 0.00 0.00 1.11 -1.26 -1.24 119.66 118.00 2kgt s GLN 59 Ca 0.19 -0.25 -0.29 0.00 0.01 0.00 0.00 55.36 55.01 2kgt s GLN 59 Cb -0.11 -1.13 0.11 0.00 -1.01 0.00 0.00 33.01 30.87 2kgt s GLN 59 CO 0.09 -0.04 1.26 0.20 0.01 0.00 0.00 175.29 176.81 2kgt s GLY 60 N 0.84 -0.35 -0.06 3.09 0.00 -1.12 -4.67 107.32 105.04 2kgt s GLY 60 Ca -0.12 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.18 2kgt s GLY 60 CO 0.01 0.87 -0.19 -2.52 0.00 0.00 0.00 173.10 171.28 2kgt s TYR 61 N -2.42 2.60 0.04 1.90 -0.85 -0.27 -1.52 117.35 116.82 2kgt s TYR 61 Ca 0.16 -0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 56.21 2kgt s TYR 61 Cb 0.04 -1.65 -0.02 0.00 0.38 0.00 0.00 41.96 40.71 2kgt s TYR 61 CO -0.03 -0.04 0.05 0.14 -1.52 0.00 0.00 175.55 174.15 2kgt s VAL 62 N -0.33 0.16 0.59 -3.49 -7.23 0.42 -4.45 120.40 106.06 2kgt s VAL 62 Ca 0.02 -1.29 -0.18 0.00 -1.81 0.00 0.00 61.98 58.73 2kgt s VAL 62 Cb -0.13 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 2kgt s VAL 62 CO 0.02 -0.71 1.12 -2.16 -0.31 0.00 0.00 175.10 173.06 2kgt s PRO 63 N -2.98 3.12 0.58 4.82 0.04 -1.26 -1.97 135.00 137.36 2kgt s PRO 63 Ca -0.02 1.52 0.28 0.00 0.04 0.00 0.00 61.00 62.82 2kgt s PRO 63 Cb 0.01 -1.98 1.61 0.00 0.04 0.00 0.00 34.50 34.18 2kgt s PRO 63 CO -0.06 -1.02 2.08 1.25 0.04 0.00 0.00 177.00 179.29 2kgt h HIS 64 N 0.72 0.00 0.00 0.56 2.76 -1.92 0.25 115.15 117.52 2kgt h HIS 64 Ca -0.49 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2kgt h HIS 64 Cb 1.26 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.22 2kgt h HIS 64 CO 0.53 0.00 -0.01 -0.97 -1.30 0.00 0.00 177.93 176.18 2kgt h ASN 65 N 0.00 0.00 0.15 3.26 -1.24 -2.00 -3.28 115.58 112.46 2kgt h ASN 65 Ca 0.10 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2kgt h ASN 65 Cb 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 2kgt h ASN 65 CO -0.00 0.01 -0.07 0.22 -1.29 0.00 0.00 177.43 176.29 2kgt h TYR 66 N 0.00 -0.18 -3.14 0.67 3.20 -0.80 -3.46 116.97 113.26 2kgt h TYR 66 Ca -0.00 -0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.28 2kgt h TYR 66 Cb 0.49 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 2kgt h TYR 66 CO 0.00 -0.11 -0.32 -0.48 -1.64 0.00 0.00 178.16 175.61 2kgt s LEU 67 N -6.21 4.28 -0.14 2.82 0.05 -1.16 -4.52 118.68 113.82 2kgt s LEU 67 Ca -0.03 0.60 0.00 0.00 0.05 0.00 0.00 54.13 54.75 2kgt s LEU 67 Cb 0.00 -3.23 0.02 0.00 -2.05 0.00 0.00 46.19 40.93 2kgt s LEU 67 CO 0.09 0.08 -0.11 0.00 -0.55 0.00 0.00 176.35 175.85 2kgt s ALA 68 N -1.61 1.66 -0.18 1.48 0.00 0.80 -4.79 121.76 119.13 2kgt s ALA 68 Ca 0.39 -0.78 -0.37 0.00 0.00 0.00 0.00 51.96 51.20 2kgt s ALA 68 Cb -0.12 -1.01 -0.14 0.00 0.00 0.00 0.00 23.12 21.85 2kgt s ALA 68 CO 0.24 -0.42 1.81 -0.85 0.00 0.00 0.00 175.76 176.54 2kgt n GLU 69 N 4.83 1.67 -3.74 0.00 0.28 -1.26 -2.97 120.64 119.46 2kgt n GLU 69 Ca -0.15 0.61 -0.28 0.00 -0.16 0.00 0.00 57.16 57.18 2kgt n GLU 69 Cb 0.50 -2.38 -0.16 0.00 1.43 0.00 0.00 31.44 30.83 2kgt n GLU 69 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2kgt s ARG 70 N 3.75 0.70 0.32 3.44 0.52 -1.26 -4.91 118.95 121.51 2kgt s ARG 70 Ca 0.95 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.68 2kgt s ARG 70 Cb -0.88 -2.11 0.06 0.00 0.52 0.00 0.00 34.95 32.54 2kgt s ARG 70 CO 0.58 -0.68 0.44 0.39 0.02 0.00 0.00 175.30 176.05 2kgt n GLU 71 N 5.02 0.62 0.00 3.54 1.02 -1.26 -4.66 120.64 124.91 2kgt n GLU 71 Ca -0.08 -1.53 0.07 0.00 -0.02 0.00 0.00 57.16 55.59 2kgt n GLU 71 Cb 0.46 -0.19 0.05 0.00 -0.02 0.00 0.00 31.44 31.75 2kgt n GLU 71 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72