#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 2.49 -1.17 3.17 0.11 -1.26 -5.06 120.40 118.68 2kgt s VAL 2 Ca 0.00 -1.54 -0.20 0.00 -2.93 0.00 0.00 61.98 57.31 2kgt s VAL 2 Cb 0.00 -2.09 0.07 0.00 -1.53 0.00 0.00 36.38 32.83 2kgt s VAL 2 CO 0.00 0.18 1.60 -0.94 -3.33 0.00 0.00 175.10 172.60 2kgt s SER 3 N -1.86 6.70 0.29 3.54 1.04 -1.26 -4.74 113.70 117.42 2kgt s SER 3 Ca 0.15 -2.05 0.15 0.00 0.48 0.00 0.00 55.95 54.68 2kgt s SER 3 Cb -0.10 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.65 2kgt s SER 3 CO 0.06 -1.29 1.50 0.03 0.98 0.00 0.00 173.24 174.53 2kgt h ARG 4 N 8.50 0.00 -5.03 4.02 3.08 -2.09 -3.48 114.38 119.39 2kgt h ARG 4 Ca 0.34 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.11 2kgt h ARG 4 Cb 0.93 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.12 2kgt h ARG 4 CO 1.43 0.53 -0.63 -0.25 -1.07 0.00 0.00 179.97 179.98 2kgt n ASP 5 N -3.32 -2.44 0.24 7.04 8.00 -1.26 -4.87 116.55 119.93 2kgt n ASP 5 Ca 0.01 -0.51 0.18 0.00 0.71 0.00 0.00 54.79 55.18 2kgt n ASP 5 Cb 0.70 -4.34 0.88 0.00 -0.02 0.00 0.00 41.12 38.34 2kgt n ASP 5 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2kgt h GLN 6 N -1.65 0.00 -0.03 -1.24 7.50 -1.92 -0.00 115.11 117.76 2kgt h GLN 6 Ca -0.49 0.00 0.01 0.00 0.50 0.00 0.00 58.65 58.67 2kgt h GLN 6 Cb 1.29 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.81 2kgt h GLN 6 CO 0.42 0.00 0.03 0.00 -1.50 0.00 0.00 178.83 177.78 2kgt h ALA 7 N 1.76 1.73 -0.92 3.87 0.00 -1.99 -1.96 119.26 121.74 2kgt h ALA 7 Ca 0.07 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.17 2kgt h ALA 7 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 2kgt h ALA 7 CO -0.00 -0.05 0.60 0.45 0.00 0.00 0.00 179.25 180.25 2kgt h HIS 8 N 0.00 0.63 -4.31 0.00 3.86 -1.35 -3.40 115.15 110.59 2kgt h HIS 8 Ca 0.02 0.02 -0.59 0.00 -1.16 0.00 0.00 60.37 58.66 2kgt h HIS 8 Cb 0.08 -0.19 -0.28 0.00 1.06 0.00 0.00 27.41 28.08 2kgt h HIS 8 CO 0.00 0.16 -0.85 -0.48 0.86 0.00 0.00 177.93 177.63 2kgt s LEU 9 N -9.57 2.09 0.93 2.43 2.34 -0.74 -5.14 118.68 111.02 2kgt s LEU 9 Ca -0.09 -0.43 -0.12 0.00 0.06 0.00 0.00 54.13 53.55 2kgt s LEU 9 Cb 0.23 -1.01 0.15 0.00 -0.56 0.00 0.00 46.19 45.00 2kgt s LEU 9 CO 0.79 0.21 1.09 -0.83 -1.06 0.00 0.00 176.35 176.55 2kgt s GLY 10 N -0.78 1.62 0.99 -3.48 0.00 -1.26 -4.93 107.32 99.47 2kgt s GLY 10 Ca 0.08 -0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.67 2kgt s GLY 10 CO 0.00 0.50 1.09 2.56 0.00 0.00 0.00 173.10 177.26 2kgt s PRO 11 N -4.85 0.52 0.60 2.90 0.04 -1.26 -5.05 135.00 127.89 2kgt s PRO 11 Ca 0.64 0.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.19 2kgt s PRO 11 Cb -0.19 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2kgt s PRO 11 CO 0.58 -2.68 0.90 0.15 0.04 0.00 0.00 177.00 175.99 2kgt s LYS 12 N -4.96 2.78 -0.03 4.56 1.02 -1.26 -4.90 119.74 116.94 2kgt s LYS 12 Ca 0.65 -0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.56 2kgt s LYS 12 Cb -0.19 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2kgt s LYS 12 CO 0.58 -0.77 -0.13 0.71 -0.92 0.00 0.00 175.35 174.81 2kgt s TYR 13 N -3.00 1.32 0.04 3.18 1.51 0.11 -3.09 117.35 117.41 2kgt s TYR 13 Ca 0.55 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 56.33 2kgt s TYR 13 Cb -0.11 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 2kgt s TYR 13 CO 0.44 -0.13 -0.23 0.54 -1.11 0.00 0.00 175.55 175.06 2kgt s VAL 14 N 0.13 1.85 0.00 0.71 0.11 -0.25 -0.12 120.40 122.83 2kgt s VAL 14 Ca -0.04 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 2kgt s VAL 14 Cb -0.10 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 2kgt s VAL 14 CO 0.01 0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 2kgt n GLY 15 N 1.88 1.11 3.23 6.54 0.00 -1.26 -0.41 105.19 116.28 2kgt n GLY 15 Ca -0.17 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.99 -4.57 0.99 4.32 -1.22 -3.93 117.00 107.60 2kgt n LEU 16 Ca 0.00 0.06 -0.24 0.00 -0.02 0.00 0.00 56.01 55.81 2kgt n LEU 16 Cb 0.00 -2.47 -0.06 0.00 -1.62 0.00 0.00 43.42 39.27 2kgt n LEU 16 CO 0.00 -1.02 1.33 0.86 -1.22 0.00 0.00 177.39 177.35 2kgt s TRP 17 N -2.17 1.68 -1.22 -1.77 -0.00 -1.26 -0.63 118.94 113.57 2kgt s TRP 17 Ca 0.27 0.96 -0.07 0.00 -0.00 0.00 0.00 56.10 57.26 2kgt s TRP 17 Cb -0.05 -3.88 0.05 0.00 -0.00 0.00 0.00 33.47 29.60 2kgt s TRP 17 CO 0.83 -1.52 0.39 -0.25 -0.00 0.00 0.00 176.95 176.40 2kgt n ASP 18 N 15.31 -3.75 -4.63 5.86 8.00 -1.26 -4.85 116.55 131.22 2kgt n ASP 18 Ca 0.42 -0.26 -0.40 0.00 0.71 0.00 0.00 54.79 55.26 2kgt n ASP 18 Cb 0.46 -3.12 -0.07 0.00 -0.02 0.00 0.00 41.12 38.37 2kgt n ASP 18 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kgt s PHE 19 N -2.86 3.29 -0.28 1.24 0.08 -1.24 -4.93 117.98 113.28 2kgt s PHE 19 Ca 0.31 0.78 0.01 0.00 0.12 0.00 0.00 56.93 58.15 2kgt s PHE 19 Cb -0.16 -2.80 0.08 0.00 -0.57 0.00 0.00 43.02 39.56 2kgt s PHE 19 CO 0.39 -0.30 0.02 0.15 -0.10 0.00 0.00 175.22 175.38 2kgt s LYS 20 N 2.39 1.28 0.39 0.44 -0.14 -1.26 -3.81 119.74 119.04 2kgt s LYS 20 Ca 0.25 -1.20 0.06 0.00 -1.36 0.00 0.00 55.97 53.73 2kgt s LYS 20 Cb -0.16 -2.54 0.06 0.00 -1.68 0.00 0.00 37.83 33.52 2kgt s LYS 20 CO 0.09 -0.79 0.54 0.43 -0.76 0.00 0.00 175.35 174.85 2kgt n SER 21 N 4.64 1.47 -1.74 2.83 7.64 -1.25 -5.03 113.62 122.18 2kgt n SER 21 Ca -0.05 -2.06 0.01 0.00 1.01 0.00 0.00 58.87 57.78 2kgt n SER 21 Cb 0.43 -0.28 0.06 0.00 -1.01 0.00 0.00 64.21 63.41 2kgt n SER 21 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2kgt n ARG 22 N -1.84 0.96 -3.90 1.43 1.85 -1.26 -4.66 116.66 109.25 2kgt n ARG 22 Ca 0.11 -2.75 -0.10 0.00 -1.00 0.00 0.00 57.85 54.10 2kgt n ARG 22 Cb 0.41 -0.84 -0.10 0.00 -1.05 0.00 0.00 32.46 30.89 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 -1.83 0.11 0.65 8.89 -4.23 -1.26 -5.02 115.64 112.95 2kgt s THR 23 Ca 0.34 -0.88 0.39 0.00 -1.18 0.00 0.00 61.69 60.37 2kgt s THR 23 Cb 0.37 -0.65 0.41 0.00 1.34 0.00 0.00 72.50 73.97 2kgt s THR 23 CO -0.11 -0.48 2.30 0.44 -0.54 0.00 0.00 174.62 176.23 2kgt h ASP 24 N 3.97 0.00 0.53 3.99 3.32 -1.98 0.49 116.42 126.75 2kgt h ASP 24 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 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 0.45 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.35 2kgt n GLU 25 N -3.28 0.08 -4.06 3.56 1.02 -1.26 -3.72 120.64 112.98 2kgt n GLU 25 Ca -0.03 0.35 -0.08 0.00 -0.02 0.00 0.00 57.16 57.39 2kgt n GLU 25 Cb 0.11 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 2kgt n GLU 25 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kgt s GLU 26 N -3.15 0.55 0.07 3.49 2.02 0.16 -3.94 118.70 117.90 2kgt s GLU 26 Ca 0.05 -1.06 -0.16 0.00 0.02 0.00 0.00 54.97 53.81 2kgt s GLU 26 Cb 0.09 0.19 -0.06 0.00 0.10 0.00 0.00 34.13 34.44 2kgt s GLU 26 CO 0.29 -0.10 0.50 -0.51 0.02 0.00 0.00 175.26 175.46 2kgt s LEU 27 N -2.57 4.46 -1.12 1.80 2.01 -1.26 -4.53 118.68 117.47 2kgt s LEU 27 Ca 0.01 1.10 -0.08 0.00 0.01 0.00 0.00 54.13 55.18 2kgt s LEU 27 Cb 0.04 -2.89 0.28 0.00 0.01 0.00 0.00 46.19 43.63 2kgt s LEU 27 CO -0.08 0.25 1.26 -1.54 1.01 0.00 0.00 176.35 177.24 2kgt n SER 28 N 1.49 5.76 -3.57 2.29 3.41 -1.26 -3.78 113.62 117.97 2kgt n SER 28 Ca -0.10 -3.15 -0.10 0.00 -0.26 0.00 0.00 58.87 55.26 2kgt n SER 28 Cb 0.52 -1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 2kgt n SER 28 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2kgt s PHE 29 N -1.55 -0.41 0.50 7.33 5.36 -1.25 -4.99 117.98 122.97 2kgt s PHE 29 Ca 0.32 0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.42 2kgt s PHE 29 Cb -0.05 0.60 0.02 0.00 -0.34 0.00 0.00 43.02 43.24 2kgt s PHE 29 CO -0.02 -0.97 0.71 -0.98 -1.46 0.00 0.00 175.22 172.50 2kgt s ARG 30 N -3.81 2.80 1.08 10.12 1.70 -1.26 -4.03 118.95 125.54 2kgt s ARG 30 Ca 0.04 -0.68 -0.12 0.00 -0.47 0.00 0.00 55.73 54.51 2kgt s ARG 30 Cb -0.03 -2.54 0.24 0.00 -0.57 0.00 0.00 34.95 32.06 2kgt s ARG 30 CO -0.06 -0.48 1.06 0.00 -1.08 0.00 0.00 175.30 174.73 2kgt s ALA 31 N -2.64 0.16 0.00 7.88 0.00 0.20 -3.71 121.76 123.64 2kgt s ALA 31 Ca 0.53 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2kgt s ALA 31 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2kgt s ALA 31 CO 0.38 -3.46 0.00 0.41 0.00 0.00 0.00 175.76 173.08 2kgt n GLY 32 N 0.46 3.21 3.77 0.00 0.00 -1.25 -4.90 105.19 106.47 2kgt n GLY 32 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.44 7.46 0.18 1.61 1.11 -1.24 -4.99 116.67 120.36 2kgt s ASP 33 Ca 0.00 1.91 -0.05 0.00 0.18 0.00 0.00 52.55 54.59 2kgt s ASP 33 Cb 0.00 -2.60 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 2kgt s ASP 33 CO 0.00 0.02 0.43 0.68 1.18 0.00 0.00 175.17 177.47 2kgt s VAL 34 N -1.40 5.12 0.17 -1.27 -7.23 -1.26 -4.14 120.40 110.39 2kgt s VAL 34 Ca 0.46 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.57 2kgt s VAL 34 Cb -0.23 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 33.06 2kgt s VAL 34 CO 0.28 -0.05 0.33 0.72 -0.31 0.00 0.00 175.10 176.07 2kgt s PHE 35 N -1.76 0.29 -0.01 2.82 -0.12 0.83 -3.68 117.98 116.35 2kgt s PHE 35 Ca 0.42 -0.65 0.03 0.00 -0.05 0.00 0.00 56.93 56.68 2kgt s PHE 35 Cb -0.12 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.30 2kgt s PHE 35 CO 0.25 -0.76 -0.10 -1.58 -0.05 0.00 0.00 175.22 172.98 2kgt s HIS 36 N -3.95 0.93 -0.08 3.49 2.46 -1.20 0.03 115.29 116.98 2kgt s HIS 36 Ca 0.15 -0.18 -0.29 0.00 0.47 0.00 0.00 55.06 55.22 2kgt s HIS 36 Cb 0.02 -0.60 -0.02 0.00 -0.13 0.00 0.00 32.58 31.86 2kgt s HIS 36 CO -0.01 -0.02 0.96 0.08 -2.47 0.00 0.00 174.74 173.29 2kgt s VAL 37 N -0.26 4.84 -0.09 0.89 1.01 -1.26 -2.14 120.40 123.38 2kgt s VAL 37 Ca 0.04 1.97 0.15 0.00 0.00 0.00 0.00 61.98 64.13 2kgt s VAL 37 Cb -0.04 -4.28 -0.21 0.00 0.00 0.00 0.00 36.38 31.84 2kgt s VAL 37 CO -0.00 0.07 0.59 0.00 0.00 0.00 0.00 175.10 175.76 2kgt n ALA 38 N 4.61 1.63 -3.69 5.51 0.00 -0.17 -4.91 120.51 123.48 2kgt n ALA 38 Ca 0.07 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 2kgt n ALA 38 Cb 0.50 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 19.06 2kgt n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kgt s ARG 39 N -2.68 0.24 -0.33 0.00 1.81 -1.21 -5.03 118.95 111.75 2kgt s ARG 39 Ca -0.05 0.56 -0.07 0.00 -1.72 0.00 0.00 55.73 54.45 2kgt s ARG 39 Cb 0.08 -0.09 0.03 0.00 -0.45 0.00 0.00 34.95 34.52 2kgt s ARG 39 CO 0.82 -0.16 0.10 -1.59 -0.68 0.00 0.00 175.30 173.80 2kgt s LYS 40 N 1.22 2.77 0.34 3.54 -2.85 -1.26 -0.65 119.74 122.84 2kgt s LYS 40 Ca -0.09 -1.08 0.08 0.00 -1.00 0.00 0.00 55.97 53.88 2kgt s LYS 40 Cb -0.10 -3.45 -0.04 0.00 -2.06 0.00 0.00 37.83 32.19 2kgt s LYS 40 CO -0.09 -0.60 0.18 -2.00 0.10 0.00 0.00 175.35 172.94 2kgt s GLU 41 N 1.44 2.46 0.38 1.78 2.56 -1.15 -5.02 118.70 121.15 2kgt s GLU 41 Ca -0.00 -1.48 0.19 0.00 0.00 0.00 0.00 54.97 53.68 2kgt s GLU 41 Cb -0.19 -2.25 0.67 0.00 2.00 0.00 0.00 34.13 34.37 2kgt s GLU 41 CO 0.03 0.11 1.73 1.05 -0.56 0.00 0.00 175.26 177.62 2kgt h GLU 42 N 1.48 0.00 0.00 4.30 4.11 -2.04 -3.37 114.58 119.06 2kgt h GLU 42 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 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 0.62 0.36 0.00 1.04 0.07 0.00 0.00 179.01 181.10 2kgt n GLN 43 N -3.50 0.00 -4.34 1.06 6.02 -1.26 -5.03 117.38 110.34 2kgt n GLN 43 Ca -0.00 0.26 -0.20 0.00 -0.01 0.00 0.00 57.00 57.05 2kgt n GLN 43 Cb 0.51 -0.74 -0.11 0.00 1.02 0.00 0.00 30.24 30.93 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 -0.91 1.75 -0.14 1.08 0.52 -1.26 -4.93 118.94 115.05 2kgt s TRP 44 Ca 0.00 -0.52 -0.05 0.00 0.02 0.00 0.00 56.10 55.55 2kgt s TRP 44 Cb 0.00 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.44 2kgt s TRP 44 CO 0.00 0.34 0.04 -1.58 0.02 0.00 0.00 176.95 175.77 2kgt s TRP 45 N -2.47 3.23 -0.31 -1.98 0.52 -1.17 -2.92 118.94 113.84 2kgt s TRP 45 Ca 0.19 0.10 -0.22 0.00 0.02 0.00 0.00 56.10 56.18 2kgt s TRP 45 Cb -0.03 -1.96 -0.00 0.00 -1.15 0.00 0.00 33.47 30.32 2kgt s TRP 45 CO 0.07 0.27 0.74 -1.58 0.02 0.00 0.00 176.95 176.47 2kgt s TRP 46 N -0.13 3.19 0.19 -1.98 0.52 0.18 -1.33 118.94 119.57 2kgt s TRP 46 Ca 0.06 0.71 0.11 0.00 0.02 0.00 0.00 56.10 57.00 2kgt s TRP 46 Cb -0.12 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 28.98 2kgt s TRP 46 CO 0.02 -0.56 -0.23 0.00 0.02 0.00 0.00 176.95 176.19 2kgt s ALA 47 N 2.88 2.48 -0.10 0.98 0.00 -0.92 -1.00 121.76 126.08 2kgt s ALA 47 Ca 0.30 -1.62 0.01 0.00 0.00 0.00 0.00 51.96 50.65 2kgt s ALA 47 Cb -0.14 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2kgt s ALA 47 CO 0.13 0.41 -0.11 0.99 0.00 0.00 0.00 175.76 177.18 2kgt s THR 48 N -1.70 1.15 -0.28 0.00 2.01 -0.91 -2.47 115.64 113.44 2kgt s THR 48 Ca 0.20 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 2kgt s THR 48 Cb -0.08 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.34 2kgt s THR 48 CO 0.09 0.38 1.06 -0.76 -0.69 0.00 0.00 174.62 174.70 2kgt s LEU 49 N 1.23 4.00 0.30 4.42 2.01 0.91 -3.23 118.68 128.32 2kgt s LEU 49 Ca -0.04 1.19 0.09 0.00 0.01 0.00 0.00 54.13 55.39 2kgt s LEU 49 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.47 2kgt s LEU 49 CO -0.03 -0.79 0.04 -0.76 1.01 0.00 0.00 176.35 175.82 2kgt s LEU 50 N 3.46 3.19 1.00 1.79 1.43 -1.24 0.19 118.68 128.50 2kgt s LEU 50 Ca 0.45 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.65 2kgt s LEU 50 Cb -0.13 -1.67 0.22 0.00 0.03 0.00 0.00 46.19 44.64 2kgt s LEU 50 CO 0.11 -0.12 1.31 -0.62 0.23 0.00 0.00 176.35 177.27 2kgt s ASP 51 N -3.73 2.77 0.49 2.29 2.15 0.84 -4.65 116.67 116.82 2kgt s ASP 51 Ca 0.34 0.26 0.17 0.00 0.43 0.00 0.00 52.55 53.74 2kgt s ASP 51 Cb -0.04 -0.28 1.20 0.00 -0.30 0.00 0.00 42.92 43.50 2kgt s ASP 51 CO 0.21 -2.95 2.06 1.05 -0.17 0.00 0.00 175.17 175.37 2kgt h GLU 52 N -1.79 0.16 0.00 4.34 4.11 -1.96 0.14 114.58 119.58 2kgt h GLU 52 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2kgt h GLU 52 Cb 1.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kgt h GLU 52 CO 0.35 0.10 0.00 0.00 0.07 0.00 0.00 179.01 179.54 2kgt h ALA 53 N 1.83 1.00 0.00 1.06 0.00 -2.03 -3.47 119.26 117.65 2kgt h ALA 53 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kgt h ALA 53 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kgt h ALA 53 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2kgt n GLY 54 N 0.98 1.10 3.70 0.00 0.00 0.48 -5.07 105.19 106.38 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 -2.10 1.63 0.73 -0.02 0.00 -1.26 -4.48 107.32 101.82 2kgt s GLY 55 Ca 0.00 1.18 -0.16 0.00 0.00 0.00 0.00 44.72 45.74 2kgt s GLY 55 CO 0.00 2.75 0.53 0.00 0.00 0.00 0.00 173.10 176.38 2kgt n ALA 56 N 5.16 -1.52 0.05 3.20 0.00 -1.26 -0.11 120.51 126.02 2kgt n ALA 56 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2kgt n ALA 56 Cb 0.41 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.42 0.00 -4.16 0.00 0.31 0.13 -4.69 118.33 107.51 2kgt n VAL 57 Ca 0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.18 2kgt n VAL 57 Cb 0.50 -0.11 -0.06 0.00 -0.91 0.00 0.00 33.84 33.26 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 -1.82 3.38 -0.00 3.52 0.00 -0.47 -4.97 121.76 121.40 2kgt s ALA 58 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.65 2kgt s ALA 58 Cb 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 2kgt s ALA 58 CO 0.00 0.43 -0.13 -0.65 0.00 0.00 0.00 175.76 175.41 2kgt s GLN 59 N -3.21 1.04 0.00 0.00 -0.21 -1.26 -0.07 119.66 115.95 2kgt s GLN 59 Ca 0.30 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.18 2kgt s GLN 59 Cb -0.09 -1.01 0.00 0.00 1.00 0.00 0.00 33.01 32.91 2kgt s GLN 59 CO 0.21 0.27 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 2kgt n GLY 60 N 2.66 1.16 3.68 3.09 0.00 -1.03 -4.71 105.19 110.04 2kgt n GLY 60 Ca -0.14 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2kgt n GLY 60 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kgt s TYR 61 N -2.00 3.16 0.06 1.61 -0.85 -1.24 -2.16 117.35 115.93 2kgt s TYR 61 Ca 0.00 0.19 -0.14 0.00 -0.52 0.00 0.00 57.07 56.59 2kgt s TYR 61 Cb 0.00 -1.78 0.02 0.00 0.38 0.00 0.00 41.96 40.58 2kgt s TYR 61 CO 0.00 0.47 0.33 0.14 -1.52 0.00 0.00 175.55 174.97 2kgt s VAL 62 N -0.90 0.08 0.60 -3.49 -7.23 -0.45 -4.38 120.40 104.63 2kgt s VAL 62 Ca 0.14 -0.67 -0.17 0.00 -1.81 0.00 0.00 61.98 59.46 2kgt s VAL 62 Cb -0.11 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 2kgt s VAL 62 CO 0.03 -0.37 1.12 -2.16 -0.31 0.00 0.00 175.10 173.41 2kgt s PRO 63 N -2.91 3.09 0.64 4.82 0.04 -1.26 -3.02 135.00 136.41 2kgt s PRO 63 Ca -0.02 1.51 0.38 0.00 0.04 0.00 0.00 61.00 62.90 2kgt s PRO 63 Cb 0.00 -1.98 2.10 0.00 0.04 0.00 0.00 34.50 34.66 2kgt s PRO 63 CO -0.06 -1.04 2.25 1.25 0.04 0.00 0.00 177.00 179.45 2kgt h HIS 64 N 0.65 0.00 0.00 0.56 -0.00 -1.94 0.26 115.15 114.68 2kgt h HIS 64 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2kgt h HIS 64 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 2kgt h HIS 64 CO 0.53 0.00 0.00 -1.71 -0.00 0.00 0.00 177.93 176.75 2kgt n ASN 65 N -3.31 0.00 -0.04 3.26 2.85 -1.26 -3.28 115.26 113.48 2kgt n ASN 65 Ca -0.02 -0.49 -0.16 0.00 -0.11 0.00 0.00 54.58 53.80 2kgt n ASN 65 Cb 0.15 -0.16 -0.14 0.00 1.24 0.00 0.00 39.78 40.87 2kgt n ASN 65 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgt n TYR 66 N -1.16 0.77 -4.46 1.20 9.36 0.92 -4.97 117.16 118.81 2kgt n TYR 66 Ca 0.18 0.20 -0.23 0.00 3.32 0.00 0.00 57.90 61.36 2kgt n TYR 66 Cb 0.18 -1.11 -0.10 0.00 -0.63 0.00 0.00 39.34 37.67 2kgt n TYR 66 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2kgt s LEU 67 N -6.48 2.60 0.08 2.98 0.05 -1.20 -3.44 118.68 113.27 2kgt s LEU 67 Ca -0.19 -1.07 0.10 0.00 0.05 0.00 0.00 54.13 53.02 2kgt s LEU 67 Cb 0.07 -0.99 -0.03 0.00 -2.05 0.00 0.00 46.19 43.19 2kgt s LEU 67 CO 0.76 -0.06 -0.26 0.00 -0.55 0.00 0.00 176.35 176.24 2kgt s ALA 68 N -2.63 2.35 0.28 1.48 0.00 0.45 -4.82 121.76 118.86 2kgt s ALA 68 Ca 0.29 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.72 2kgt s ALA 68 Cb -0.03 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.55 2kgt s ALA 68 CO 0.14 0.54 0.75 -1.83 0.00 0.00 0.00 175.76 175.36 2kgt s GLU 69 N -1.63 4.15 -0.19 0.00 1.03 -1.26 -1.09 118.70 119.70 2kgt s GLU 69 Ca 0.13 0.80 0.13 0.00 0.03 0.00 0.00 54.97 56.06 2kgt s GLU 69 Cb -0.10 -2.64 0.43 0.00 -0.80 0.00 0.00 34.13 31.02 2kgt s GLU 69 CO 0.04 0.26 1.20 2.89 -1.33 0.00 0.00 175.26 178.33 2kgt n ARG 70 N 0.16 1.65 -0.36 -4.83 1.85 -1.18 -4.89 116.66 109.07 2kgt n ARG 70 Ca 0.01 -3.25 -0.29 0.00 -1.00 0.00 0.00 57.85 53.32 2kgt n ARG 70 Cb 0.52 -1.47 0.28 0.00 -1.05 0.00 0.00 32.46 30.73 2kgt n ARG 70 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2kgt n GLU 71 N -0.80 -3.65 0.00 2.89 0.28 -1.26 -4.83 120.64 113.27 2kgt n GLU 71 Ca 0.20 -1.06 0.06 0.00 -0.16 0.00 0.00 57.16 56.21 2kgt n GLU 71 Cb 0.80 -2.03 0.05 0.00 1.43 0.00 0.00 31.44 31.70 2kgt n GLU 71 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38