#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgt s VAL 2 N 0.00 2.86 -0.38 1.12 -7.23 -1.26 -4.93 120.40 110.59 2kgt s VAL 2 Ca 0.00 0.80 0.07 0.00 -1.81 0.00 0.00 61.98 61.04 2kgt s VAL 2 Cb 0.00 -3.48 0.66 0.00 0.56 0.00 0.00 36.38 34.11 2kgt s VAL 2 CO 0.00 0.14 1.77 -1.54 -0.31 0.00 0.00 175.10 175.16 2kgt n SER 3 N 0.45 4.24 0.03 4.85 3.41 -1.26 -4.39 113.62 120.95 2kgt n SER 3 Ca 0.02 -3.25 -0.19 0.00 -0.26 0.00 0.00 58.87 55.19 2kgt n SER 3 Cb 0.44 -0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 63.49 2kgt n SER 3 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2kgt h ARG 4 N 1.83 0.35 -0.70 4.33 2.47 -2.00 -3.28 114.38 117.38 2kgt h ARG 4 Ca 0.38 -0.50 0.13 0.00 -1.26 0.00 0.00 59.98 58.74 2kgt h ARG 4 Cb 2.42 0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 30.86 2kgt h ARG 4 CO 0.82 1.20 0.47 0.22 0.56 0.00 0.00 179.97 183.23 2kgt h ASP 5 N -0.26 0.38 -3.58 7.04 3.58 -2.01 -3.31 116.42 118.26 2kgt h ASP 5 Ca -0.12 0.02 -0.72 0.00 0.42 0.00 0.00 57.03 56.63 2kgt h ASP 5 Cb 1.53 -0.06 -0.31 0.00 1.72 0.00 0.00 39.33 42.21 2kgt h ASP 5 CO 0.14 0.21 -0.36 -1.58 -2.88 0.00 0.00 179.24 174.77 2kgt s GLN 6 N -5.40 2.53 0.02 0.28 0.74 -1.24 -4.92 119.66 111.67 2kgt s GLN 6 Ca -0.08 -2.03 -0.18 0.00 0.05 0.00 0.00 55.36 53.13 2kgt s GLN 6 Cb 0.20 -3.87 -0.25 0.00 1.10 0.00 0.00 33.01 30.19 2kgt s GLN 6 CO 0.76 -1.18 1.10 0.00 -0.55 0.00 0.00 175.29 175.42 2kgt h ALA 7 N 7.98 0.05 -1.68 1.58 0.00 -1.76 -3.47 119.26 121.96 2kgt h ALA 7 Ca -0.12 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.18 2kgt h ALA 7 Cb 1.04 0.06 -0.22 0.00 0.00 0.00 0.00 17.79 18.67 2kgt h ALA 7 CO 0.79 0.49 0.44 -3.38 0.00 0.00 0.00 179.25 177.59 2kgt s HIS 8 N -3.11 -0.46 0.31 0.00 0.00 -1.26 -5.13 115.29 105.65 2kgt s HIS 8 Ca -0.12 0.83 -0.14 0.00 -3.00 0.00 0.00 55.06 52.62 2kgt s HIS 8 Cb 0.04 0.43 0.02 0.00 -4.00 0.00 0.00 32.58 29.07 2kgt s HIS 8 CO 0.87 -0.40 0.63 -0.51 -1.00 0.00 0.00 174.74 174.33 2kgt s LEU 9 N -0.98 0.18 0.00 5.38 1.43 -1.26 -5.19 118.68 118.24 2kgt s LEU 9 Ca -0.04 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2kgt s LEU 9 Cb -0.01 2.28 0.00 0.00 0.03 0.00 0.00 46.19 48.49 2kgt s LEU 9 CO 0.03 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 175.85 2kgt n GLY 10 N -0.47 3.12 1.15 -3.19 0.00 -1.26 -5.13 105.19 99.41 2kgt n GLY 10 Ca -0.04 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.78 2kgt n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kgt n PRO 11 N -0.39 -1.72 -3.67 1.61 -0.04 -1.26 -5.07 135.00 124.46 2kgt n PRO 11 Ca 0.00 -0.58 -0.20 0.00 -0.04 0.00 0.00 63.50 62.68 2kgt n PRO 11 Cb 0.00 -0.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.89 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 -3.82 2.80 -0.05 0.54 3.01 -1.26 -5.01 119.74 115.95 2kgt s LYS 12 Ca 0.23 -1.26 0.06 0.00 -1.01 0.00 0.00 55.97 54.00 2kgt s LYS 12 Cb -0.02 -2.56 -0.01 0.00 -1.01 0.00 0.00 37.83 34.23 2kgt s LYS 12 CO 0.18 0.04 -0.25 0.71 0.51 0.00 0.00 175.35 176.54 2kgt s TYR 13 N -2.30 2.38 0.02 3.18 1.51 -1.09 -2.77 117.35 118.28 2kgt s TYR 13 Ca 0.43 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2kgt s TYR 13 Cb -0.07 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 2kgt s TYR 13 CO 0.28 -0.17 -0.03 0.54 -1.11 0.00 0.00 175.55 175.05 2kgt s VAL 14 N -0.26 0.17 0.00 0.71 0.11 -0.96 -1.13 120.40 119.04 2kgt s VAL 14 Ca -0.00 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2kgt s VAL 14 Cb -0.13 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2kgt s VAL 14 CO 0.03 -0.43 0.00 0.61 -3.33 0.00 0.00 175.10 171.98 2kgt n GLY 15 N 1.74 0.00 2.67 6.54 0.00 -1.26 -2.30 105.19 112.58 2kgt n GLY 15 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2kgt n GLY 15 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kgt n LEU 16 N 0.00 4.93 -4.16 0.99 7.94 -1.26 -3.09 117.00 122.34 2kgt n LEU 16 Ca 0.00 -5.39 -0.35 0.00 -1.11 0.00 0.00 56.01 49.16 2kgt n LEU 16 Cb 0.00 -0.89 0.07 0.00 0.53 0.00 0.00 43.42 43.13 2kgt n LEU 16 CO 0.00 1.97 -0.86 0.79 -1.11 0.00 0.00 177.39 178.18 2kgt n TRP 17 N 0.84 -3.78 -1.50 1.96 7.02 -1.26 -0.07 117.44 120.65 2kgt n TRP 17 Ca 0.30 0.08 -0.41 0.00 -1.02 0.00 0.00 57.50 56.45 2kgt n TRP 17 Cb 0.37 -1.57 -0.10 0.00 -2.42 0.00 0.00 31.31 27.59 2kgt n TRP 17 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 2kgt n ASP 18 N 1.78 1.21 -3.66 -0.99 5.75 -1.26 -4.24 116.55 115.14 2kgt n ASP 18 Ca 0.02 -0.02 -0.11 0.00 -0.01 0.00 0.00 54.79 54.67 2kgt n ASP 18 Cb 0.55 -1.19 -0.11 0.00 -1.03 0.00 0.00 41.12 39.33 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2kgt s PHE 19 N 9.83 -0.59 -0.28 2.11 2.19 -1.15 -5.00 117.98 125.08 2kgt s PHE 19 Ca 1.19 1.22 0.03 0.00 0.33 0.00 0.00 56.93 59.70 2kgt s PHE 19 Cb -0.85 0.12 0.07 0.00 -1.31 0.00 0.00 43.02 41.05 2kgt s PHE 19 CO 0.42 -0.41 -0.04 0.15 1.83 0.00 0.00 175.22 177.16 2kgt s LYS 20 N 2.51 1.87 0.00 10.12 3.01 -1.26 -2.52 119.74 133.46 2kgt s LYS 20 Ca -0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 55.97 53.49 2kgt s LYS 20 Cb -0.12 -2.93 0.00 0.00 -1.01 0.00 0.00 37.83 33.77 2kgt s LYS 20 CO -0.10 -0.71 0.00 0.45 0.51 0.00 0.00 175.35 175.50 2kgt n SER 21 N 4.42 0.00 -0.97 2.83 2.88 -1.25 -5.00 113.62 116.52 2kgt n SER 21 Ca -0.08 -0.99 0.04 0.00 -1.33 0.00 0.00 58.87 56.51 2kgt n SER 21 Cb 0.42 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.95 2kgt n SER 21 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kgt n ARG 22 N -0.99 0.42 -3.84 -1.46 1.85 -1.26 -4.83 116.66 106.55 2kgt n ARG 22 Ca 0.00 -2.07 -0.11 0.00 -1.00 0.00 0.00 57.85 54.67 2kgt n ARG 22 Cb 0.00 -0.56 -0.09 0.00 -1.05 0.00 0.00 32.46 30.76 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kgt s THR 23 N -0.88 0.10 0.54 8.89 -4.23 -1.26 -5.03 115.64 113.76 2kgt s THR 23 Ca 0.27 -0.82 0.20 0.00 -1.18 0.00 0.00 61.69 60.15 2kgt s THR 23 Cb 0.29 -0.80 0.30 0.00 1.34 0.00 0.00 72.50 73.62 2kgt s THR 23 CO -0.09 -0.45 2.17 0.44 -0.54 0.00 0.00 174.62 176.14 2kgt h ASP 24 N 3.63 0.00 -0.08 3.99 3.32 -1.98 -0.96 116.42 124.34 2kgt h ASP 24 Ca -0.32 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.76 2kgt h ASP 24 Cb 1.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2kgt h ASP 24 CO 0.46 0.00 0.14 1.05 -1.72 0.00 0.00 179.24 179.17 2kgt h GLU 25 N 0.00 0.00 -5.51 3.56 4.11 -1.90 -3.32 114.58 111.52 2kgt h GLU 25 Ca 0.01 0.00 -0.43 0.00 0.07 0.00 0.00 59.36 59.01 2kgt h GLU 25 Cb 0.04 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.13 2kgt h GLU 25 CO -0.00 0.00 -0.75 -1.21 0.07 0.00 0.00 179.01 177.12 2kgt s GLU 26 N -4.44 1.18 0.06 1.06 2.02 -0.37 -3.05 118.70 115.17 2kgt s GLU 26 Ca -0.05 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.54 2kgt s GLU 26 Cb 0.14 -1.01 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 2kgt s GLU 26 CO 0.47 0.18 0.16 -0.51 0.02 0.00 0.00 175.26 175.59 2kgt s LEU 27 N -2.88 4.17 -0.81 1.80 1.02 -1.26 -4.59 118.68 116.12 2kgt s LEU 27 Ca 0.16 0.18 -0.02 0.00 0.02 0.00 0.00 54.13 54.47 2kgt s LEU 27 Cb -0.03 -2.79 0.20 0.00 0.02 0.00 0.00 46.19 43.60 2kgt s LEU 27 CO 0.05 0.17 0.67 -0.94 0.02 0.00 0.00 176.35 176.32 2kgt s SER 28 N -2.45 5.73 0.21 2.29 1.04 -1.26 -3.88 113.70 115.38 2kgt s SER 28 Ca 0.33 -3.51 -0.22 0.00 0.48 0.00 0.00 55.95 53.02 2kgt s SER 28 Cb -0.13 -1.88 0.05 0.00 0.10 0.00 0.00 66.02 64.17 2kgt s SER 28 CO 0.26 -0.22 0.65 0.12 0.98 0.00 0.00 173.24 175.02 2kgt s PHE 29 N -1.03 -0.41 0.51 5.02 5.36 -1.05 -4.95 117.98 121.43 2kgt s PHE 29 Ca 0.25 0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 2kgt s PHE 29 Cb -0.10 0.62 0.02 0.00 -0.34 0.00 0.00 43.02 43.21 2kgt s PHE 29 CO -0.10 -1.00 0.73 -0.98 -1.46 0.00 0.00 175.22 172.40 2kgt s ARG 30 N -3.81 2.72 1.05 10.12 1.70 -1.26 -2.93 118.95 126.53 2kgt s ARG 30 Ca 0.05 -0.74 -0.13 0.00 -0.47 0.00 0.00 55.73 54.44 2kgt s ARG 30 Cb -0.03 -2.53 0.22 0.00 -0.57 0.00 0.00 34.95 32.03 2kgt s ARG 30 CO -0.05 -0.55 1.08 0.00 -1.08 0.00 0.00 175.30 174.70 2kgt s ALA 31 N -2.67 0.63 0.00 7.88 0.00 0.90 -3.92 121.76 124.59 2kgt s ALA 31 Ca 0.54 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2kgt s ALA 31 Cb -0.10 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2kgt s ALA 31 CO 0.38 -3.10 0.00 0.41 0.00 0.00 0.00 175.76 173.45 2kgt n GLY 32 N -0.77 3.08 3.78 0.00 0.00 -1.26 -4.96 105.19 105.05 2kgt n GLY 32 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2kgt n GLY 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kgt s ASP 33 N -0.21 6.74 0.32 1.61 -1.08 -1.25 -5.03 116.67 117.77 2kgt s ASP 33 Ca 0.00 2.08 -0.05 0.00 -0.52 0.00 0.00 52.55 54.06 2kgt s ASP 33 Cb 0.00 -2.59 -0.05 0.00 -1.46 0.00 0.00 42.92 38.82 2kgt s ASP 33 CO 0.00 -0.50 0.60 0.68 0.52 0.00 0.00 175.17 176.46 2kgt s VAL 34 N -1.61 4.99 0.15 1.11 -7.23 -1.26 -4.54 120.40 112.00 2kgt s VAL 34 Ca 0.57 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.78 2kgt s VAL 34 Cb -0.23 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 32.94 2kgt s VAL 34 CO 0.29 -0.40 0.21 -0.36 -0.31 0.00 0.00 175.10 174.54 2kgt s PHE 35 N -2.18 0.52 -0.04 2.82 0.08 -0.28 -4.48 117.98 114.42 2kgt s PHE 35 Ca 0.45 -0.89 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2kgt s PHE 35 Cb -0.11 -0.18 0.01 0.00 -0.57 0.00 0.00 43.02 42.17 2kgt s PHE 35 CO 0.31 -0.65 -0.10 -1.58 -0.10 0.00 0.00 175.22 173.10 2kgt s HIS 36 N -3.99 1.18 0.16 0.36 5.65 -1.22 -2.68 115.29 114.75 2kgt s HIS 36 Ca 0.18 -0.37 -0.30 0.00 0.25 0.00 0.00 55.06 54.83 2kgt s HIS 36 Cb 0.05 -0.87 -0.07 0.00 -1.18 0.00 0.00 32.58 30.50 2kgt s HIS 36 CO -0.00 -0.18 1.08 0.14 -0.65 0.00 0.00 174.74 175.13 2kgt s VAL 37 N 0.46 3.98 -0.02 0.89 -7.23 -1.26 -3.23 120.40 113.98 2kgt s VAL 37 Ca -0.09 1.68 0.04 0.00 -1.81 0.00 0.00 61.98 61.81 2kgt s VAL 37 Cb -0.12 -4.07 -0.06 0.00 0.56 0.00 0.00 36.38 32.68 2kgt s VAL 37 CO 0.02 0.28 0.06 0.00 -0.31 0.00 0.00 175.10 175.14 2kgt n ALA 38 N 2.52 2.03 -3.66 1.32 0.00 -1.22 -5.02 120.51 116.48 2kgt n ALA 38 Ca 0.03 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 2kgt n ALA 38 Cb 0.47 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.21 0.54 -0.28 0.00 6.06 -1.26 -5.04 118.95 116.76 2kgt s ARG 39 Ca -0.02 1.17 -0.07 0.00 -2.50 0.00 0.00 55.73 54.31 2kgt s ARG 39 Cb 0.02 0.34 -0.00 0.00 0.06 0.00 0.00 34.95 35.37 2kgt s ARG 39 CO 0.18 -0.18 0.07 -1.59 -2.50 0.00 0.00 175.30 171.28 2kgt s LYS 40 N 2.11 3.30 0.38 5.12 -2.85 -1.26 -0.59 119.74 125.95 2kgt s LYS 40 Ca -0.07 -0.72 0.08 0.00 -1.00 0.00 0.00 55.97 54.26 2kgt s LYS 40 Cb -0.09 -3.33 -0.03 0.00 -2.06 0.00 0.00 37.83 32.32 2kgt s LYS 40 CO -0.17 -0.34 0.30 -2.00 0.10 0.00 0.00 175.35 173.24 2kgt s GLU 41 N 1.54 2.52 0.38 1.78 2.12 -1.13 -5.02 118.70 120.88 2kgt s GLU 41 Ca 0.04 -1.52 0.19 0.00 0.36 0.00 0.00 54.97 54.05 2kgt s GLU 41 Cb -0.16 -2.32 0.66 0.00 0.26 0.00 0.00 34.13 32.56 2kgt s GLU 41 CO 0.02 -0.07 1.72 1.05 -0.54 0.00 0.00 175.26 177.45 2kgt h GLU 42 N 1.21 0.00 0.00 4.30 4.11 -2.04 -3.39 114.58 118.77 2kgt h GLU 42 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kgt h GLU 42 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kgt h GLU 42 CO 0.60 0.37 0.00 1.04 0.07 0.00 0.00 179.01 181.09 2kgt n GLN 43 N -3.49 0.00 -4.37 1.06 6.02 -1.26 -5.04 117.38 110.30 2kgt n GLN 43 Ca -0.00 0.08 -0.25 0.00 -0.01 0.00 0.00 57.00 56.81 2kgt n GLN 43 Cb 0.52 -0.41 -0.10 0.00 1.02 0.00 0.00 30.24 31.27 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 -0.53 2.48 -0.00 1.08 0.52 -1.26 -4.86 118.94 116.36 2kgt s TRP 44 Ca 0.00 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 55.85 2kgt s TRP 44 Cb 0.00 -1.16 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 2kgt s TRP 44 CO 0.00 0.59 0.01 -1.58 0.02 0.00 0.00 176.95 175.99 2kgt s TRP 45 N -2.05 3.11 -0.03 -1.98 0.52 -1.25 -2.82 118.94 114.45 2kgt s TRP 45 Ca 0.27 0.10 -0.24 0.00 0.02 0.00 0.00 56.10 56.25 2kgt s TRP 45 Cb -0.07 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.52 2kgt s TRP 45 CO 0.15 0.48 0.74 -1.58 0.02 0.00 0.00 176.95 176.76 2kgt s TRP 46 N -1.10 3.63 -0.04 -1.98 0.52 0.24 -3.63 118.94 116.58 2kgt s TRP 46 Ca 0.20 1.36 0.00 0.00 0.02 0.00 0.00 56.10 57.68 2kgt s TRP 46 Cb -0.12 -2.84 0.03 0.00 -1.15 0.00 0.00 33.47 29.39 2kgt s TRP 46 CO 0.10 0.14 -0.01 0.00 0.02 0.00 0.00 176.95 177.20 2kgt s ALA 47 N 0.56 0.47 -0.08 0.98 0.00 -1.03 -3.45 121.76 119.21 2kgt s ALA 47 Ca 0.39 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.42 2kgt s ALA 47 Cb -0.19 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2kgt s ALA 47 CO 0.20 -0.13 -0.11 0.99 0.00 0.00 0.00 175.76 176.71 2kgt s THR 48 N 1.19 3.35 -0.27 0.00 2.01 -1.20 -2.57 115.64 118.15 2kgt s THR 48 Ca -0.07 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.21 2kgt s THR 48 Cb -0.13 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 2kgt s THR 48 CO -0.02 0.57 0.26 -0.22 -0.69 0.00 0.00 174.62 174.53 2kgt s LEU 49 N -0.40 4.04 0.30 4.42 2.96 -0.93 -3.44 118.68 125.63 2kgt s LEU 49 Ca 0.05 0.14 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 2kgt s LEU 49 Cb -0.12 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 2kgt s LEU 49 CO 0.02 -0.09 0.12 -0.76 -1.32 0.00 0.00 176.35 174.33 2kgt s LEU 50 N 1.79 3.40 1.09 -0.68 1.43 -1.26 -0.76 118.68 123.69 2kgt s LEU 50 Ca 0.11 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 2kgt s LEU 50 Cb -0.16 -1.92 0.26 0.00 0.03 0.00 0.00 46.19 44.40 2kgt s LEU 50 CO 0.10 -0.15 1.27 -0.62 0.23 0.00 0.00 176.35 177.18 2kgt s ASP 51 N -3.81 1.95 0.53 2.29 2.15 0.80 -4.82 116.67 115.75 2kgt s ASP 51 Ca 0.35 0.28 0.18 0.00 0.43 0.00 0.00 52.55 53.79 2kgt s ASP 51 Cb -0.05 -0.29 1.35 0.00 -0.30 0.00 0.00 42.92 43.62 2kgt s ASP 51 CO 0.23 -3.46 2.16 1.05 -0.17 0.00 0.00 175.17 174.98 2kgt h GLU 52 N -2.14 0.00 0.00 4.34 4.11 -2.01 0.00 114.58 118.88 2kgt h GLU 52 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 2kgt h GLU 52 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kgt h GLU 52 CO 0.30 0.00 -0.12 0.00 0.07 0.00 0.00 179.01 179.26 2kgt h ALA 53 N 2.00 0.93 0.00 1.06 0.00 -2.04 -3.47 119.26 117.74 2kgt h ALA 53 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kgt h ALA 53 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kgt h ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2kgt n GLY 54 N 1.18 1.02 3.67 0.00 0.00 -0.01 -5.07 105.19 105.98 2kgt n GLY 54 Ca 0.04 0.00 -0.42 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 -2.05 1.63 0.71 -0.02 0.00 -1.26 -4.48 107.32 101.85 2kgt s GLY 55 Ca 0.00 0.97 -0.16 0.00 0.00 0.00 0.00 44.72 45.52 2kgt s GLY 55 CO 0.00 2.84 0.55 0.00 0.00 0.00 0.00 173.10 176.49 2kgt n ALA 56 N 6.25 -1.40 0.01 3.20 0.00 -1.26 -0.14 120.51 127.17 2kgt n ALA 56 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kgt n ALA 56 Cb 0.43 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.33 0.05 -4.55 0.00 0.31 0.06 -4.71 118.33 107.16 2kgt n VAL 57 Ca 0.10 0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.19 2kgt n VAL 57 Cb 0.50 -0.41 -0.11 0.00 -0.91 0.00 0.00 33.84 32.92 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 -2.00 2.93 -0.05 3.52 0.00 -1.14 -5.02 121.76 119.99 2kgt s ALA 58 Ca 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 51.96 49.85 2kgt s ALA 58 Cb 0.00 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2kgt s ALA 58 CO 0.00 0.01 -0.06 -0.65 0.00 0.00 0.00 175.76 175.06 2kgt s GLN 59 N -3.65 1.04 0.25 0.00 -0.21 -1.26 -2.18 119.66 113.65 2kgt s GLN 59 Ca 0.33 -0.18 -0.17 0.00 0.02 0.00 0.00 55.36 55.37 2kgt s GLN 59 Cb 0.05 -0.99 0.01 0.00 1.00 0.00 0.00 33.01 33.08 2kgt s GLN 59 CO 0.16 -0.06 0.58 0.20 -2.12 0.00 0.00 175.29 174.05 2kgt s GLY 60 N 0.89 0.22 0.11 3.09 0.00 -1.06 -4.81 107.32 105.77 2kgt s GLY 60 Ca -0.11 -0.59 0.08 0.00 0.00 0.00 0.00 44.72 44.10 2kgt s GLY 60 CO 0.01 -0.38 -0.20 -0.19 0.00 0.00 0.00 173.10 172.34 2kgt s TYR 61 N -3.96 1.80 0.06 1.90 2.02 -1.17 -2.47 117.35 115.52 2kgt s TYR 61 Ca 0.17 -0.43 -0.17 0.00 -0.37 0.00 0.00 57.07 56.27 2kgt s TYR 61 Cb -0.03 -0.97 0.03 0.00 -0.40 0.00 0.00 41.96 40.60 2kgt s TYR 61 CO 0.07 0.23 0.39 0.14 -1.57 0.00 0.00 175.55 174.81 2kgt s VAL 62 N -1.32 0.06 0.57 0.71 -7.23 -1.24 -4.27 120.40 107.68 2kgt s VAL 62 Ca 0.08 -0.52 -0.19 0.00 -1.81 0.00 0.00 61.98 59.54 2kgt s VAL 62 Cb -0.09 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2kgt s VAL 62 CO 0.05 -0.29 1.13 -2.16 -0.31 0.00 0.00 175.10 173.51 2kgt s PRO 63 N -2.75 3.25 0.67 4.82 0.04 -1.26 -3.84 135.00 135.93 2kgt s PRO 63 Ca -0.04 1.57 0.44 0.00 0.04 0.00 0.00 61.00 63.02 2kgt s PRO 63 Cb -0.00 -2.00 2.41 0.00 0.04 0.00 0.00 34.50 34.95 2kgt s PRO 63 CO -0.04 -0.92 2.37 1.12 0.04 0.00 0.00 177.00 179.56 2kgt h HIS 64 N 0.98 0.00 0.00 0.56 2.07 -1.89 0.50 115.15 117.37 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 0.52 0.00 0.00 -0.97 -3.07 0.00 0.00 177.93 174.41 2kgt h ASN 65 N 0.00 0.00 0.00 3.10 -0.00 -2.00 -3.32 115.58 113.36 2kgt h ASN 65 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.19 2kgt h ASN 65 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.31 2kgt h ASN 65 CO 0.00 0.00 -0.95 0.00 -0.00 0.00 0.00 177.43 176.48 2kgt n TYR 66 N -3.08 0.82 -3.38 0.67 9.36 0.15 -4.96 117.16 116.73 2kgt n TYR 66 Ca 0.02 0.35 -0.28 0.00 3.32 0.00 0.00 57.90 61.31 2kgt n TYR 66 Cb 0.38 -0.88 -0.03 0.00 -0.63 0.00 0.00 39.34 38.18 2kgt n TYR 66 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2kgt s LEU 67 N -8.03 4.07 -0.05 2.98 2.96 -1.08 -4.51 118.68 115.03 2kgt s LEU 67 Ca -0.23 0.65 -0.14 0.00 -0.22 0.00 0.00 54.13 54.19 2kgt s LEU 67 Cb 0.04 -3.47 0.03 0.00 0.50 0.00 0.00 46.19 43.29 2kgt s LEU 67 CO 0.38 -0.19 0.32 0.00 -1.32 0.00 0.00 176.35 175.54 2kgt s ALA 68 N -2.09 -0.81 0.71 5.97 0.00 -0.97 -4.66 121.76 119.92 2kgt s ALA 68 Ca 0.43 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.78 2kgt s ALA 68 Cb -0.11 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2kgt s ALA 68 CO 0.31 -0.23 1.08 -1.83 0.00 0.00 0.00 175.76 175.09 2kgt s GLU 69 N -0.89 2.65 -0.39 0.00 -1.05 -1.26 -2.26 118.70 115.49 2kgt s GLU 69 Ca -0.10 1.16 0.12 0.00 -0.15 0.00 0.00 54.97 56.01 2kgt s GLU 69 Cb -0.04 -1.95 0.41 0.00 -0.44 0.00 0.00 34.13 32.11 2kgt s GLU 69 CO 0.03 -1.34 0.92 0.54 0.95 0.00 0.00 175.26 176.36 2kgt n ARG 70 N -3.04 1.80 -1.72 -4.83 5.12 -1.12 -4.81 116.66 108.07 2kgt n ARG 70 Ca 0.09 -3.74 -0.30 0.00 -1.93 0.00 0.00 57.85 51.97 2kgt n ARG 70 Cb 0.53 -1.69 0.09 0.00 -1.16 0.00 0.00 32.46 30.22 2kgt n ARG 70 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2kgt s GLU 71 N -3.05 2.10 0.00 5.56 -1.05 -1.26 -4.51 118.70 116.48 2kgt s GLU 71 Ca 0.38 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.60 2kgt s GLU 71 Cb 0.39 -1.94 0.00 0.00 -0.44 0.00 0.00 34.13 32.14 2kgt s GLU 71 CO -0.06 -1.56 0.29 -2.37 0.95 0.00 0.00 175.26 172.51