#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgt n VAL 2 N 0.00 1.71 -0.16 2.03 0.31 -1.26 -3.84 118.33 117.12 2kgt n VAL 2 Ca 0.00 -0.68 0.01 0.00 -0.01 0.00 0.00 64.34 63.66 2kgt n VAL 2 Cb 0.00 -1.53 0.28 0.00 -0.91 0.00 0.00 33.84 31.68 2kgt n VAL 2 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2kgt h SER 3 N 0.05 0.77 0.80 4.52 0.87 -2.08 -1.26 113.55 117.22 2kgt h SER 3 Ca -0.42 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.04 2kgt h SER 3 Cb 2.02 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.78 2kgt h SER 3 CO 0.07 0.58 -0.35 0.03 -0.53 0.00 0.00 176.83 176.62 2kgt h ARG 4 N 0.90 0.00 -0.60 2.24 3.08 -2.06 -3.01 114.38 114.94 2kgt h ARG 4 Ca 0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 2kgt h ARG 4 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2kgt h ARG 4 CO -0.05 0.35 0.27 0.22 -1.07 0.00 0.00 179.97 179.69 2kgt h ASP 5 N 0.00 0.78 -0.27 7.04 3.58 -1.33 -3.31 116.42 122.92 2kgt h ASP 5 Ca -0.00 -0.09 -0.68 0.00 0.42 0.00 0.00 57.03 56.68 2kgt h ASP 5 Cb 0.84 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 2kgt h ASP 5 CO 0.05 0.68 2.72 0.00 -2.88 0.00 0.00 179.24 179.80 2kgt n GLN 6 N -4.34 2.79 0.13 0.28 1.13 -1.14 -4.61 117.38 111.62 2kgt n GLN 6 Ca 0.05 -2.73 0.04 0.00 -1.94 0.00 0.00 57.00 52.42 2kgt n GLN 6 Cb 0.14 -3.34 0.02 0.00 0.11 0.00 0.00 30.24 27.17 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kgt h ALA 7 N 6.75 0.69 -0.68 -1.58 0.00 -1.83 -3.25 119.26 119.36 2kgt h ALA 7 Ca 0.51 -0.45 -0.27 0.00 0.00 0.00 0.00 54.91 54.69 2kgt h ALA 7 Cb 0.72 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.35 2kgt h ALA 7 CO 1.75 0.58 0.35 0.72 0.00 0.00 0.00 179.25 182.64 2kgt n HIS 8 N -3.11 2.18 -4.25 0.00 8.25 -1.26 -4.93 115.22 112.10 2kgt n HIS 8 Ca -0.00 -1.23 -0.26 0.00 -0.26 0.00 0.00 57.72 55.96 2kgt n HIS 8 Cb 0.72 -0.68 -0.07 0.00 1.12 0.00 0.00 29.99 31.08 2kgt n HIS 8 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kgt s LEU 9 N -2.47 2.95 0.00 2.41 2.01 -1.23 -5.09 118.68 117.26 2kgt s LEU 9 Ca 0.45 -1.21 0.00 0.00 0.01 0.00 0.00 54.13 53.38 2kgt s LEU 9 Cb 0.36 -1.25 0.00 0.00 0.01 0.00 0.00 46.19 45.31 2kgt s LEU 9 CO 0.10 -0.62 0.00 0.61 1.01 0.00 0.00 176.35 177.45 2kgt n GLY 10 N -1.25 -1.41 0.20 -3.19 0.00 -1.26 -4.89 105.19 93.38 2kgt n GLY 10 Ca -0.04 0.60 0.14 0.00 0.00 0.00 0.00 46.02 46.73 2kgt n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kgt h PRO 11 N 0.00 0.00 -5.58 1.61 0.13 -1.94 -3.43 132.00 122.78 2kgt h PRO 11 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2kgt h PRO 11 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 2kgt h PRO 11 CO 0.00 0.00 -0.85 0.15 -0.23 0.00 0.00 178.00 177.07 2kgt s LYS 12 N -3.48 1.91 -0.06 0.86 3.01 -1.26 -4.58 119.74 116.14 2kgt s LYS 12 Ca 0.03 -0.69 0.04 0.00 -1.01 0.00 0.00 55.97 54.33 2kgt s LYS 12 Cb 0.09 -1.68 -0.02 0.00 -1.01 0.00 0.00 37.83 35.21 2kgt s LYS 12 CO 0.45 0.31 -0.17 0.71 0.51 0.00 0.00 175.35 177.17 2kgt s TYR 13 N -0.11 2.65 -0.02 3.18 2.02 0.65 -1.42 117.35 124.31 2kgt s TYR 13 Ca -0.01 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2kgt s TYR 13 Cb -0.11 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2kgt s TYR 13 CO 0.02 0.03 -0.08 0.08 -1.57 0.00 0.00 175.55 174.04 2kgt s VAL 14 N -0.44 0.65 0.00 0.71 1.01 0.74 -2.62 120.40 120.46 2kgt s VAL 14 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2kgt s VAL 14 Cb -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2kgt s VAL 14 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.93 2kgt n GLY 15 N 3.16 0.00 2.48 4.51 0.00 -1.26 -0.06 105.19 114.01 2kgt n GLY 15 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 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 1.72 -4.20 0.99 4.32 -1.26 -3.49 117.00 115.08 2kgt n LEU 16 Ca 0.00 -4.96 -0.35 0.00 -0.02 0.00 0.00 56.01 50.69 2kgt n LEU 16 Cb 0.00 -0.09 0.09 0.00 -1.62 0.00 0.00 43.42 41.80 2kgt n LEU 16 CO 0.00 1.94 -0.85 1.87 -1.22 0.00 0.00 177.39 179.13 2kgt n TRP 17 N 1.71 -2.72 -1.51 -1.77 -0.00 -1.26 -0.64 117.44 111.25 2kgt n TRP 17 Ca 0.25 0.18 -0.41 0.00 -0.00 0.00 0.00 57.50 57.53 2kgt n TRP 17 Cb 0.44 -1.58 -0.09 0.00 -0.00 0.00 0.00 31.31 30.08 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 0.89 1.31 -3.66 5.87 2.03 -1.26 -4.23 116.55 117.49 2kgt n ASP 18 Ca 0.02 -0.05 -0.12 0.00 0.52 0.00 0.00 54.79 55.16 2kgt n ASP 18 Cb 0.59 -1.22 -0.12 0.00 -0.72 0.00 0.00 41.12 39.65 2kgt n ASP 18 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2kgt s PHE 19 N 10.01 -0.57 -0.32 -0.67 0.08 -1.19 -5.00 117.98 120.31 2kgt s PHE 19 Ca 1.18 1.18 0.04 0.00 0.12 0.00 0.00 56.93 59.44 2kgt s PHE 19 Cb -0.79 0.09 0.09 0.00 -0.57 0.00 0.00 43.02 41.84 2kgt s PHE 19 CO 0.40 -0.41 0.01 0.15 -0.10 0.00 0.00 175.22 175.27 2kgt s LYS 20 N 2.50 1.67 0.66 0.44 3.01 -1.26 -2.89 119.74 123.86 2kgt s LYS 20 Ca 0.00 -1.71 0.04 0.00 -1.01 0.00 0.00 55.97 53.29 2kgt s LYS 20 Cb -0.12 -3.09 0.11 0.00 -1.01 0.00 0.00 37.83 33.72 2kgt s LYS 20 CO -0.10 -0.84 0.91 -1.12 0.51 0.00 0.00 175.35 174.70 2kgt s SER 21 N 0.97 4.67 -0.17 2.83 0.01 -1.25 -5.02 113.70 115.74 2kgt s SER 21 Ca 0.05 -0.60 0.14 0.00 1.31 0.00 0.00 55.95 56.85 2kgt s SER 21 Cb -0.19 0.16 0.36 0.00 0.21 0.00 0.00 66.02 66.56 2kgt s SER 21 CO -0.08 -1.64 1.19 -2.11 0.41 0.00 0.00 173.24 171.01 2kgt n ARG 22 N -2.57 1.39 -4.00 12.44 -4.01 -1.26 -4.80 116.66 113.85 2kgt n ARG 22 Ca 0.16 -2.94 -0.08 0.00 -1.04 0.00 0.00 57.85 53.95 2kgt n ARG 22 Cb 0.61 -1.50 -0.09 0.00 -3.04 0.00 0.00 32.46 28.44 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2kgt s THR 23 N -2.94 0.19 0.32 8.89 -4.23 -1.26 -5.04 115.64 111.57 2kgt s THR 23 Ca 0.35 -1.53 0.19 0.00 -1.18 0.00 0.00 61.69 59.52 2kgt s THR 23 Cb 0.33 -1.38 0.17 0.00 1.34 0.00 0.00 72.50 72.96 2kgt s THR 23 CO -0.03 -0.84 1.88 0.44 -0.54 0.00 0.00 174.62 175.52 2kgt h ASP 24 N 3.09 0.00 -0.04 3.99 3.32 -1.96 -2.55 116.42 122.27 2kgt h ASP 24 Ca -0.34 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.72 2kgt h ASP 24 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 2kgt h ASP 24 CO 0.61 0.28 0.09 1.05 -1.72 0.00 0.00 179.24 179.55 2kgt h GLU 25 N 0.00 0.00 -5.77 3.56 4.11 -1.88 -3.21 114.58 111.39 2kgt h GLU 25 Ca -0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 58.94 2kgt h GLU 25 Cb 0.61 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.70 2kgt h GLU 25 CO 0.04 0.00 -0.76 -1.21 0.07 0.00 0.00 179.01 177.15 2kgt s GLU 26 N -4.37 1.30 0.11 1.06 2.02 -0.96 -3.71 118.70 114.16 2kgt s GLU 26 Ca -0.05 -1.49 -0.04 0.00 0.02 0.00 0.00 54.97 53.42 2kgt s GLU 26 Cb 0.13 -1.25 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 2kgt s GLU 26 CO 0.45 0.23 0.33 -0.51 0.02 0.00 0.00 175.26 175.79 2kgt s LEU 27 N -2.96 4.30 -0.87 1.80 2.01 -1.26 -4.67 118.68 117.03 2kgt s LEU 27 Ca 0.19 0.51 -0.00 0.00 0.01 0.00 0.00 54.13 54.83 2kgt s LEU 27 Cb -0.04 -3.18 0.24 0.00 0.01 0.00 0.00 46.19 43.22 2kgt s LEU 27 CO 0.07 0.10 0.87 -1.54 1.01 0.00 0.00 176.35 176.85 2kgt n SER 28 N 0.22 4.40 -3.59 2.29 3.41 -1.26 -3.85 113.62 115.23 2kgt n SER 28 Ca -0.04 -3.23 -0.10 0.00 -0.26 0.00 0.00 58.87 55.24 2kgt n SER 28 Cb 0.52 -1.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.44 2kgt n SER 28 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2kgt s PHE 29 N -1.79 -0.40 0.51 7.33 0.08 -1.14 -4.97 117.98 117.60 2kgt s PHE 29 Ca 0.30 0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.47 2kgt s PHE 29 Cb -0.01 0.61 0.02 0.00 -0.57 0.00 0.00 43.02 43.06 2kgt s PHE 29 CO -0.08 -0.99 0.72 -0.98 -0.10 0.00 0.00 175.22 173.79 2kgt s ARG 30 N -3.81 2.71 0.98 0.44 1.70 -1.26 -3.17 118.95 116.54 2kgt s ARG 30 Ca 0.05 -0.76 -0.12 0.00 -0.47 0.00 0.00 55.73 54.42 2kgt s ARG 30 Cb -0.03 -2.54 0.18 0.00 -0.57 0.00 0.00 34.95 31.99 2kgt s ARG 30 CO -0.06 -0.54 1.09 0.00 -1.08 0.00 0.00 175.30 174.71 2kgt s ALA 31 N -2.65 1.01 0.00 7.88 0.00 0.19 -3.79 121.76 124.39 2kgt s ALA 31 Ca 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2kgt s ALA 31 Cb -0.10 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2kgt s ALA 31 CO 0.37 -2.79 0.00 0.41 0.00 0.00 0.00 175.76 173.76 2kgt n GLY 32 N -0.91 2.06 3.86 0.00 0.00 -1.26 -4.96 105.19 103.97 2kgt n GLY 32 Ca 0.06 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 -2.85 6.61 -0.09 1.61 1.11 -1.25 -5.07 116.67 116.73 2kgt s ASP 33 Ca 0.00 1.36 -0.02 0.00 0.18 0.00 0.00 52.55 54.07 2kgt s ASP 33 Cb 0.00 -2.42 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 2kgt s ASP 33 CO 0.00 -0.46 0.01 0.68 1.18 0.00 0.00 175.17 176.57 2kgt s VAL 34 N -2.44 4.35 0.15 -1.27 -7.23 -1.26 -4.52 120.40 108.19 2kgt s VAL 34 Ca 0.55 -0.23 -0.09 0.00 -1.81 0.00 0.00 61.98 60.41 2kgt s VAL 34 Cb -0.10 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.99 2kgt s VAL 34 CO 0.29 0.59 0.27 0.72 -0.31 0.00 0.00 175.10 176.66 2kgt s PHE 35 N -0.76 0.36 0.29 2.82 -0.71 -1.08 -3.86 117.98 115.04 2kgt s PHE 35 Ca 0.12 -0.73 0.11 0.00 -1.04 0.00 0.00 56.93 55.39 2kgt s PHE 35 Cb -0.12 -0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.59 2kgt s PHE 35 CO 0.02 -0.69 -0.15 -1.58 -1.34 0.00 0.00 175.22 171.48 2kgt s HIS 36 N -3.95 2.36 -0.25 3.49 2.46 -1.19 -0.25 115.29 117.96 2kgt s HIS 36 Ca 0.15 -0.35 -0.17 0.00 0.47 0.00 0.00 55.06 55.16 2kgt s HIS 36 Cb 0.04 -1.10 -0.03 0.00 -0.13 0.00 0.00 32.58 31.35 2kgt s HIS 36 CO -0.02 0.68 0.46 0.14 -2.47 0.00 0.00 174.74 173.53 2kgt s VAL 37 N -2.51 5.11 0.15 0.89 -7.23 -1.26 -1.57 120.40 113.98 2kgt s VAL 37 Ca 0.31 0.78 0.10 0.00 -1.81 0.00 0.00 61.98 61.36 2kgt s VAL 37 Cb -0.04 -3.78 -0.08 0.00 0.56 0.00 0.00 36.38 33.05 2kgt s VAL 37 CO 0.16 0.13 1.47 0.00 -0.31 0.00 0.00 175.10 176.54 2kgt h ALA 38 N 7.96 0.68 -2.15 1.32 0.00 -1.05 -3.46 119.26 122.56 2kgt h ALA 38 Ca -0.31 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 53.89 2kgt h ALA 38 Cb 1.15 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 2kgt h ALA 38 CO 0.70 0.92 0.02 0.50 0.00 0.00 0.00 179.25 181.39 2kgt s ARG 39 N -3.15 0.72 -0.36 0.00 6.06 -1.21 -4.99 118.95 116.02 2kgt s ARG 39 Ca 0.00 0.99 -0.07 0.00 -2.50 0.00 0.00 55.73 54.15 2kgt s ARG 39 Cb 0.11 0.28 0.05 0.00 0.06 0.00 0.00 34.95 35.45 2kgt s ARG 39 CO 0.78 -0.11 0.14 -1.59 -2.50 0.00 0.00 175.30 172.01 2kgt s LYS 40 N 0.78 2.60 0.31 5.12 -2.85 -1.26 -0.28 119.74 124.15 2kgt s LYS 40 Ca -0.03 -1.25 0.08 0.00 -1.00 0.00 0.00 55.97 53.77 2kgt s LYS 40 Cb -0.05 -3.53 -0.04 0.00 -2.06 0.00 0.00 37.83 32.15 2kgt s LYS 40 CO -0.06 -0.73 0.14 -2.00 0.10 0.00 0.00 175.35 172.80 2kgt s GLU 41 N 1.40 2.49 0.42 1.78 2.56 -1.19 -5.02 118.70 121.14 2kgt s GLU 41 Ca -0.00 -1.41 0.22 0.00 0.00 0.00 0.00 54.97 53.78 2kgt s GLU 41 Cb -0.20 -2.27 0.83 0.00 2.00 0.00 0.00 34.13 34.49 2kgt s GLU 41 CO 0.03 0.21 1.79 1.05 -0.56 0.00 0.00 175.26 177.78 2kgt h GLU 42 N 1.57 0.00 0.00 4.30 4.11 -2.04 -3.38 114.58 119.15 2kgt h GLU 42 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kgt h GLU 42 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kgt h GLU 42 CO 0.61 0.28 0.00 1.04 0.07 0.00 0.00 179.01 181.01 2kgt n GLN 43 N -3.45 0.00 -4.50 1.06 6.02 -1.26 -5.03 117.38 110.23 2kgt n GLN 43 Ca -0.00 0.12 -0.28 0.00 -0.01 0.00 0.00 57.00 56.83 2kgt n GLN 43 Cb 0.46 -0.54 -0.13 0.00 1.02 0.00 0.00 30.24 31.04 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 -0.76 2.19 -0.15 1.08 0.52 -1.26 -4.85 118.94 115.70 2kgt s TRP 44 Ca 0.00 -0.39 -0.06 0.00 0.02 0.00 0.00 56.10 55.67 2kgt s TRP 44 Cb 0.00 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 2kgt s TRP 44 CO 0.00 0.25 0.04 -1.58 0.02 0.00 0.00 176.95 175.69 2kgt s TRP 45 N -1.00 3.24 -0.21 -1.98 0.51 -1.17 -3.14 118.94 115.18 2kgt s TRP 45 Ca 0.12 0.11 -0.26 0.00 -2.12 0.00 0.00 56.10 53.95 2kgt s TRP 45 Cb -0.10 -1.97 -0.00 0.00 -0.81 0.00 0.00 33.47 30.58 2kgt s TRP 45 CO 0.05 0.28 0.90 -1.58 -0.51 0.00 0.00 176.95 176.09 2kgt s TRP 46 N -0.11 3.36 -0.02 -1.98 0.52 0.61 -2.53 118.94 118.79 2kgt s TRP 46 Ca 0.06 1.29 0.07 0.00 0.02 0.00 0.00 56.10 57.54 2kgt s TRP 46 Cb -0.12 -3.11 -0.02 0.00 -1.15 0.00 0.00 33.47 29.07 2kgt s TRP 46 CO 0.01 -0.37 -0.23 0.00 0.02 0.00 0.00 176.95 176.38 2kgt s ALA 47 N 2.72 1.92 -0.10 0.98 0.00 -0.81 -0.37 121.76 126.09 2kgt s ALA 47 Ca 0.39 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2kgt s ALA 47 Cb -0.16 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2kgt s ALA 47 CO 0.09 0.46 -0.21 0.99 0.00 0.00 0.00 175.76 177.09 2kgt s THR 48 N -0.50 1.89 -0.22 0.00 2.01 -0.61 -1.98 115.64 116.24 2kgt s THR 48 Ca 0.08 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 2kgt s THR 48 Cb -0.09 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.77 2kgt s THR 48 CO -0.00 0.52 1.04 -0.76 -0.69 0.00 0.00 174.62 174.72 2kgt s LEU 49 N 0.54 4.11 0.31 4.42 2.01 0.10 -3.18 118.68 126.99 2kgt s LEU 49 Ca -0.15 1.39 0.10 0.00 0.01 0.00 0.00 54.13 55.49 2kgt s LEU 49 Cb -0.17 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.44 2kgt s LEU 49 CO 0.05 -0.65 -0.09 -0.76 1.01 0.00 0.00 176.35 175.91 2kgt s LEU 50 N 3.10 2.84 0.00 1.79 1.43 -1.25 0.49 118.68 127.08 2kgt s LEU 50 Ca 0.44 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 52.39 2kgt s LEU 50 Cb -0.15 -1.27 0.25 0.00 0.03 0.00 0.00 46.19 45.05 2kgt s LEU 50 CO 0.07 -0.09 1.00 -0.90 0.23 0.00 0.00 176.35 176.66 2kgt n ASP 51 N -0.80 -1.53 -0.00 2.29 5.68 -1.26 -4.69 116.55 116.24 2kgt n ASP 51 Ca -0.05 -1.15 0.06 0.00 -0.50 0.00 0.00 54.79 53.14 2kgt n ASP 51 Cb 0.61 -0.88 0.45 0.00 -1.14 0.00 0.00 41.12 40.16 2kgt n ASP 51 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2kgt h GLU 52 N 0.00 0.48 0.00 0.11 5.08 -2.00 0.12 114.58 118.37 2kgt h GLU 52 Ca -0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2kgt h GLU 52 Cb 1.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2kgt h GLU 52 CO 0.24 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 2kgt n ALA 53 N -2.49 2.35 -1.84 3.43 0.00 -1.26 -4.87 120.51 115.83 2kgt n ALA 53 Ca 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kgt n ALA 53 Cb 0.12 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 2kgt n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kgt n GLY 54 N 0.87 0.37 0.00 0.00 0.00 0.42 -5.03 105.19 101.82 2kgt n GLY 54 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2kgt n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgt n GLY 55 N -1.32 1.90 3.64 -0.02 0.00 -1.26 -4.80 105.19 103.34 2kgt n GLY 55 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2kgt n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgt s ALA 56 N -3.99 -2.13 0.04 4.61 0.00 -1.26 -4.67 121.76 114.37 2kgt s ALA 56 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2kgt s ALA 56 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2kgt s ALA 56 CO 0.00 -0.22 0.00 0.28 0.00 0.00 0.00 175.76 175.82 2kgt n VAL 57 N 0.64 0.00 -4.45 0.00 0.31 0.18 -4.45 118.33 110.56 2kgt n VAL 57 Ca -0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.09 2kgt n VAL 57 Cb 0.59 -0.05 -0.10 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.78 2.52 0.00 3.52 0.00 -0.85 -4.99 121.76 120.18 2kgt s ALA 58 Ca 0.00 -1.91 0.03 0.00 0.00 0.00 0.00 51.96 50.08 2kgt s ALA 58 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2kgt s ALA 58 CO 0.00 0.05 -0.09 -0.65 0.00 0.00 0.00 175.76 175.07 2kgt s GLN 59 N -3.65 0.68 0.15 0.00 -0.21 -1.26 0.00 119.66 115.37 2kgt s GLN 59 Ca 0.29 -0.39 -0.15 0.00 0.02 0.00 0.00 55.36 55.13 2kgt s GLN 59 Cb 0.01 -0.64 0.05 0.00 1.00 0.00 0.00 33.01 33.44 2kgt s GLN 59 CO 0.13 0.17 0.74 0.41 -2.12 0.00 0.00 175.29 174.61 2kgt n GLY 60 N 2.62 0.83 3.05 3.09 0.00 -0.84 -4.79 105.19 109.16 2kgt n GLY 60 Ca -0.15 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 2kgt n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kgt s TYR 61 N -3.24 1.07 0.06 1.61 2.02 -1.21 -1.93 117.35 115.73 2kgt s TYR 61 Ca 0.16 -0.23 -0.17 0.00 -0.37 0.00 0.00 57.07 56.47 2kgt s TYR 61 Cb -0.02 -0.71 0.03 0.00 -0.40 0.00 0.00 41.96 40.86 2kgt s TYR 61 CO 0.04 -0.05 0.39 0.14 -1.57 0.00 0.00 175.55 174.51 2kgt s VAL 62 N -0.13 0.06 0.59 0.71 -7.23 -1.05 -4.45 120.40 108.91 2kgt s VAL 62 Ca 0.02 -0.52 -0.18 0.00 -1.81 0.00 0.00 61.98 59.49 2kgt s VAL 62 Cb -0.06 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 2kgt s VAL 62 CO -0.00 -0.29 1.12 -2.16 -0.31 0.00 0.00 175.10 173.46 2kgt s PRO 63 N -2.84 3.13 0.54 4.82 0.04 -1.26 -3.02 135.00 136.41 2kgt s PRO 63 Ca -0.03 1.52 0.22 0.00 0.04 0.00 0.00 61.00 62.75 2kgt s PRO 63 Cb -0.00 -1.98 1.43 0.00 0.04 0.00 0.00 34.50 33.98 2kgt s PRO 63 CO -0.05 -1.01 2.11 1.12 0.04 0.00 0.00 177.00 179.21 2kgt h HIS 64 N 0.72 0.00 0.00 0.56 2.07 -1.89 0.12 115.15 116.73 2kgt h HIS 64 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2kgt h HIS 64 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 2kgt h HIS 64 CO 0.53 0.00 0.00 -0.97 -3.07 0.00 0.00 177.93 174.42 2kgt h ASN 65 N 0.00 0.00 0.00 3.10 -1.24 -2.00 -3.23 115.58 112.21 2kgt h ASN 65 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2kgt h ASN 65 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2kgt h ASN 65 CO -0.00 0.00 -0.01 0.22 -1.29 0.00 0.00 177.43 176.35 2kgt h TYR 66 N 0.00 0.00 -2.79 0.67 3.20 -1.07 -3.46 116.97 113.51 2kgt h TYR 66 Ca 0.00 0.00 -0.67 0.00 3.14 0.00 0.00 58.73 61.20 2kgt h TYR 66 Cb 0.34 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 2kgt h TYR 66 CO 0.00 0.00 -0.51 -0.48 -1.64 0.00 0.00 178.16 175.53 2kgt s LEU 67 N -7.59 4.24 -0.02 2.82 0.05 -1.20 -4.51 118.68 112.47 2kgt s LEU 67 Ca -0.00 0.38 0.03 0.00 0.05 0.00 0.00 54.13 54.60 2kgt s LEU 67 Cb 0.00 -2.13 -0.00 0.00 -2.05 0.00 0.00 46.19 42.00 2kgt s LEU 67 CO 0.00 0.37 -0.12 0.00 -0.55 0.00 0.00 176.35 176.05 2kgt s ALA 68 N -1.07 1.10 0.17 1.48 0.00 0.91 -4.69 121.76 119.67 2kgt s ALA 68 Ca 0.17 -0.50 -0.34 0.00 0.00 0.00 0.00 51.96 51.30 2kgt s ALA 68 Cb -0.12 -0.35 -0.14 0.00 0.00 0.00 0.00 23.12 22.52 2kgt s ALA 68 CO 0.07 0.22 1.60 -0.85 0.00 0.00 0.00 175.76 176.79 2kgt n GLU 69 N 3.06 2.24 -3.49 0.00 -0.00 -1.26 -0.19 120.64 121.01 2kgt n GLU 69 Ca -0.17 0.81 -0.27 0.00 -0.00 0.00 0.00 57.16 57.54 2kgt n GLU 69 Cb 0.54 -2.59 -0.09 0.00 -0.00 0.00 0.00 31.44 29.30 2kgt n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2kgt n ARG 70 N 3.46 1.32 -0.77 3.44 1.74 -0.51 -4.79 116.66 120.56 2kgt n ARG 70 Ca 0.17 -3.90 -0.33 0.00 -0.77 0.00 0.00 57.85 53.02 2kgt n ARG 70 Cb 0.30 -1.87 0.13 0.00 -1.02 0.00 0.00 32.46 30.00 2kgt n ARG 70 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kgt n GLU 71 N 1.78 -0.65 0.00 5.56 1.02 -1.26 -4.77 120.64 122.33 2kgt n GLU 71 Ca 0.25 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2kgt n GLU 71 Cb 0.44 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2kgt n GLU 71 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72