#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 1.19 -0.38 3.17 -7.23 -1.26 -5.06 120.40 110.83 2kgt s VAL 2 Ca 0.00 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2kgt s VAL 2 Cb 0.00 -2.13 0.48 0.00 0.56 0.00 0.00 36.38 35.29 2kgt s VAL 2 CO 0.00 -0.52 1.51 -1.54 -0.31 0.00 0.00 175.10 174.24 2kgt n SER 3 N -0.34 4.59 0.07 4.85 3.41 -1.26 -4.70 113.62 120.24 2kgt n SER 3 Ca -0.07 -3.78 0.04 0.00 -0.26 0.00 0.00 58.87 54.80 2kgt n SER 3 Cb 0.62 -0.61 0.44 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.66 0.39 -6.29 4.33 3.08 -2.10 -3.40 114.38 112.06 2kgt h ARG 4 Ca 0.38 -0.04 -0.57 0.00 0.07 0.00 0.00 59.98 59.81 2kgt h ARG 4 Cb 1.45 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 2kgt h ARG 4 CO 0.82 0.32 1.22 -0.51 -1.07 0.00 0.00 179.97 180.75 2kgt s ASP 5 N -6.79 6.08 -1.05 7.04 1.01 -1.26 -4.90 116.67 116.80 2kgt s ASP 5 Ca -0.07 1.42 -0.03 0.00 0.71 0.00 0.00 52.55 54.58 2kgt s ASP 5 Cb 0.17 -2.53 0.21 0.00 1.01 0.00 0.00 42.92 41.78 2kgt s ASP 5 CO 0.72 -1.54 2.18 0.00 0.21 0.00 0.00 175.17 176.75 2kgt n GLN 6 N 8.15 4.46 0.16 8.23 10.64 -1.26 -4.59 117.38 143.17 2kgt n GLN 6 Ca 0.21 -3.80 0.06 0.00 -1.83 0.00 0.00 57.00 51.64 2kgt n GLN 6 Cb 0.46 -2.47 0.07 0.00 -0.86 0.00 0.00 30.24 27.44 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kgt h ALA 7 N 4.08 0.78 -0.56 2.61 0.00 -1.95 -3.41 119.26 120.82 2kgt h ALA 7 Ca 0.59 -0.31 -0.40 0.00 0.00 0.00 0.00 54.91 54.79 2kgt h ALA 7 Cb 0.33 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2kgt h ALA 7 CO 1.29 0.42 1.28 -1.58 0.00 0.00 0.00 179.25 180.66 2kgt s HIS 8 N -3.04 2.11 -0.02 0.00 5.65 -1.26 -4.79 115.29 113.94 2kgt s HIS 8 Ca 0.05 0.06 -0.30 0.00 0.25 0.00 0.00 55.06 55.12 2kgt s HIS 8 Cb 0.07 -4.15 0.12 0.00 -1.18 0.00 0.00 32.58 27.43 2kgt s HIS 8 CO 0.72 -1.34 1.29 -0.48 -0.65 0.00 0.00 174.74 174.28 2kgt s LEU 9 N 9.64 -0.04 -0.40 8.88 0.05 -1.26 -5.10 118.68 130.45 2kgt s LEU 9 Ca 0.65 -0.15 -0.35 0.00 0.05 0.00 0.00 54.13 54.34 2kgt s LEU 9 Cb -0.00 1.36 -0.12 0.00 -2.05 0.00 0.00 46.19 45.38 2kgt s LEU 9 CO 0.11 -0.29 2.23 0.61 -0.55 0.00 0.00 176.35 178.46 2kgt n GLY 10 N -0.58 0.39 0.24 -3.48 0.00 -1.26 -4.93 105.19 95.58 2kgt n GLY 10 Ca -0.06 0.94 -0.02 0.00 0.00 0.00 0.00 46.02 46.87 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 8.24 -1.17 -1.86 1.61 -0.04 -1.26 -5.04 135.00 135.49 2kgt n PRO 11 Ca 0.43 -0.12 -0.30 0.00 -0.04 0.00 0.00 63.50 63.47 2kgt n PRO 11 Cb 0.23 -0.11 0.05 0.00 -0.04 0.00 0.00 33.50 33.63 2kgt n PRO 11 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kgt s LYS 12 N -3.17 2.73 -0.06 0.54 2.47 -1.26 -5.03 119.74 115.95 2kgt s LYS 12 Ca 0.05 0.45 0.05 0.00 -1.56 0.00 0.00 55.97 54.96 2kgt s LYS 12 Cb -0.00 -2.01 -0.01 0.00 -1.46 0.00 0.00 37.83 34.34 2kgt s LYS 12 CO 0.04 -1.13 -0.21 0.71 0.16 0.00 0.00 175.35 174.92 2kgt s TYR 13 N -3.36 2.54 0.00 4.03 1.51 -1.05 -3.79 117.35 117.23 2kgt s TYR 13 Ca 0.59 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2kgt s TYR 13 Cb -0.11 -1.63 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 2kgt s TYR 13 CO 0.52 -0.13 -0.03 0.08 -1.11 0.00 0.00 175.55 174.88 2kgt s VAL 14 N -0.22 0.24 0.00 0.71 1.01 -1.21 -2.68 120.40 118.26 2kgt s VAL 14 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2kgt s VAL 14 Cb -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.02 2kgt s VAL 14 CO 0.03 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2kgt n GLY 15 N 2.90 0.47 0.00 4.51 0.00 -1.26 -0.07 105.19 111.74 2kgt n GLY 15 Ca -0.13 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 -2.27 0.99 7.99 -1.26 -2.95 117.00 119.54 2kgt n LEU 16 Ca 0.00 -0.11 -0.18 0.00 -0.01 0.00 0.00 56.01 55.71 2kgt n LEU 16 Cb 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 2kgt n LEU 16 CO 0.00 0.01 -0.11 1.87 -1.51 0.00 0.00 177.39 177.65 2kgt n TRP 17 N -1.51 -1.25 -2.46 -1.77 -0.00 -1.26 -2.05 117.44 107.13 2kgt n TRP 17 Ca -0.00 0.23 -0.13 0.00 -0.00 0.00 0.00 57.50 57.60 2kgt n TRP 17 Cb 0.09 -3.71 -0.01 0.00 -0.00 0.00 0.00 31.31 27.69 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 -1.56 -3.98 -4.60 5.87 -0.08 -1.26 -4.88 116.55 106.05 2kgt n ASP 18 Ca -0.15 0.18 -0.38 0.00 -1.51 0.00 0.00 54.79 52.93 2kgt n ASP 18 Cb 0.63 -3.37 -0.10 0.00 2.34 0.00 0.00 41.12 40.61 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 -2.64 3.23 -0.13 -0.67 5.36 -0.87 -4.85 117.98 117.42 2kgt s PHE 19 Ca 0.01 0.22 0.02 0.00 -0.96 0.00 0.00 56.93 56.21 2kgt s PHE 19 Cb -0.00 -2.43 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 2kgt s PHE 19 CO 0.01 -0.17 -0.17 0.15 -1.46 0.00 0.00 175.22 173.58 2kgt s LYS 20 N 1.81 2.53 0.21 10.12 1.02 -1.26 -4.09 119.74 130.08 2kgt s LYS 20 Ca 0.10 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.44 2kgt s LYS 20 Cb -0.16 -2.15 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 2kgt s LYS 20 CO 0.10 -0.10 0.21 0.45 -0.92 0.00 0.00 175.35 175.10 2kgt n SER 21 N 4.33 1.32 -0.78 2.83 2.88 -1.25 -4.96 113.62 117.98 2kgt n SER 21 Ca -0.19 -1.66 0.06 0.00 -1.33 0.00 0.00 58.87 55.75 2kgt n SER 21 Cb 0.51 -0.07 0.15 0.00 -0.75 0.00 0.00 64.21 64.05 2kgt n SER 21 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kgt n ARG 22 N -1.18 1.13 -4.02 -1.46 3.00 -1.26 -4.50 116.66 108.36 2kgt n ARG 22 Ca 0.02 -2.87 -0.10 0.00 -0.01 0.00 0.00 57.85 54.89 2kgt n ARG 22 Cb 0.23 -1.18 -0.11 0.00 0.00 0.00 0.00 32.46 31.40 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2kgt s THR 23 N -2.32 0.26 0.55 0.55 -4.23 -1.26 -5.03 115.64 104.16 2kgt s THR 23 Ca 0.36 -1.09 0.28 0.00 -1.18 0.00 0.00 61.69 60.05 2kgt s THR 23 Cb 0.36 -0.54 0.33 0.00 1.34 0.00 0.00 72.50 73.99 2kgt s THR 23 CO -0.09 -0.54 2.21 0.44 -0.54 0.00 0.00 174.62 176.11 2kgt h ASP 24 N 4.38 0.00 0.08 3.99 5.19 -1.97 -1.04 116.42 127.06 2kgt h ASP 24 Ca -0.33 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 2kgt h ASP 24 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2kgt h ASP 24 CO 0.45 0.03 0.00 -0.33 -3.12 0.00 0.00 179.24 176.26 2kgt h GLU 25 N 0.00 0.00 -4.87 3.56 5.08 -1.89 -3.32 114.58 113.14 2kgt h GLU 25 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2kgt h GLU 25 Cb 0.07 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.16 2kgt h GLU 25 CO 0.00 0.00 -0.72 -1.21 -1.00 0.00 0.00 179.01 176.09 2kgt s GLU 26 N -4.06 0.88 -0.18 2.33 2.02 -0.40 -3.85 118.70 115.45 2kgt s GLU 26 Ca -0.04 -1.26 -0.19 0.00 0.02 0.00 0.00 54.97 53.50 2kgt s GLU 26 Cb 0.12 -0.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.88 2kgt s GLU 26 CO 0.40 0.05 0.56 -0.51 0.02 0.00 0.00 175.26 175.78 2kgt s LEU 27 N -2.75 4.18 -1.33 1.80 2.01 -1.26 -4.58 118.68 116.75 2kgt s LEU 27 Ca 0.09 0.78 -0.12 0.00 0.01 0.00 0.00 54.13 54.89 2kgt s LEU 27 Cb 0.00 -2.78 0.12 0.00 0.01 0.00 0.00 46.19 43.55 2kgt s LEU 27 CO -0.01 -0.17 1.95 -1.20 1.01 0.00 0.00 176.35 177.92 2kgt n SER 28 N 4.62 4.71 -3.56 2.29 7.64 -1.26 -3.97 113.62 124.09 2kgt n SER 28 Ca -0.04 -3.01 -0.10 0.00 1.01 0.00 0.00 58.87 56.73 2kgt n SER 28 Cb 0.50 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.13 2kgt n SER 28 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2kgt s PHE 29 N 1.54 -0.42 0.42 1.43 5.36 -1.26 -4.91 117.98 120.14 2kgt s PHE 29 Ca 0.43 0.14 0.06 0.00 -0.96 0.00 0.00 56.93 56.59 2kgt s PHE 29 Cb 0.10 0.59 0.01 0.00 -0.34 0.00 0.00 43.02 43.38 2kgt s PHE 29 CO -0.02 -0.96 0.59 -0.98 -1.46 0.00 0.00 175.22 172.39 2kgt s ARG 30 N -3.80 2.87 1.18 10.12 1.70 -1.26 -4.04 118.95 125.71 2kgt s ARG 30 Ca 0.04 -1.04 -0.14 0.00 -0.47 0.00 0.00 55.73 54.12 2kgt s ARG 30 Cb -0.02 -2.71 0.27 0.00 -0.57 0.00 0.00 34.95 31.91 2kgt s ARG 30 CO -0.07 -0.27 0.86 0.00 -1.08 0.00 0.00 175.30 174.74 2kgt n ALA 31 N -1.90 -3.16 0.00 7.88 0.00 -1.26 -3.67 120.51 118.39 2kgt n ALA 31 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2kgt n ALA 31 Cb 0.59 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.12 2kgt n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kgt n GLY 32 N 1.19 3.29 3.86 0.00 0.00 -1.26 -4.92 105.19 107.34 2kgt n GLY 32 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.98 6.59 0.02 1.61 1.11 -1.24 -5.06 116.67 118.73 2kgt s ASP 33 Ca 0.00 1.38 -0.17 0.00 0.18 0.00 0.00 52.55 53.94 2kgt s ASP 33 Cb 0.00 -2.43 -0.06 0.00 1.07 0.00 0.00 42.92 41.50 2kgt s ASP 33 CO 0.00 -0.49 0.49 0.68 1.18 0.00 0.00 175.17 177.02 2kgt s VAL 34 N -2.49 4.91 -0.01 -1.27 -7.23 -1.26 -4.60 120.40 108.44 2kgt s VAL 34 Ca 0.56 1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 61.71 2kgt s VAL 34 Cb -0.10 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.04 2kgt s VAL 34 CO 0.31 0.55 0.09 -0.36 -0.31 0.00 0.00 175.10 175.37 2kgt s PHE 35 N -0.96 0.00 0.08 2.82 0.40 -1.09 -4.20 117.98 115.03 2kgt s PHE 35 Ca 0.26 -0.00 0.04 0.00 -0.60 0.00 0.00 56.93 56.63 2kgt s PHE 35 Cb -0.18 -0.03 -0.03 0.00 0.51 0.00 0.00 43.02 43.29 2kgt s PHE 35 CO 0.16 -0.15 -0.12 -1.58 0.70 0.00 0.00 175.22 174.22 2kgt s HIS 36 N -0.68 1.09 -0.23 0.36 2.46 -1.21 -2.54 115.29 114.54 2kgt s HIS 36 Ca -0.08 -0.53 -0.12 0.00 0.47 0.00 0.00 55.06 54.81 2kgt s HIS 36 Cb -0.05 -0.61 -0.05 0.00 -0.13 0.00 0.00 32.58 31.75 2kgt s HIS 36 CO 0.00 0.03 0.22 0.14 -2.47 0.00 0.00 174.74 172.66 2kgt s VAL 37 N -1.68 5.32 -0.14 0.89 -7.23 -1.26 -1.24 120.40 115.06 2kgt s VAL 37 Ca -0.00 0.32 0.16 0.00 -1.81 0.00 0.00 61.98 60.64 2kgt s VAL 37 Cb -0.08 -3.56 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 2kgt s VAL 37 CO 0.01 0.32 1.17 0.00 -0.31 0.00 0.00 175.10 176.29 2kgt h ALA 38 N 7.49 0.65 -3.29 1.32 0.00 -1.38 -3.46 119.26 120.59 2kgt h ALA 38 Ca -0.37 -0.62 -0.21 0.00 0.00 0.00 0.00 54.91 53.71 2kgt h ALA 38 Cb 1.17 0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.74 2kgt h ALA 38 CO 0.67 0.75 -0.55 1.03 0.00 0.00 0.00 179.25 181.15 2kgt s ARG 39 N -2.95 0.15 -0.35 0.00 1.81 -1.24 -5.04 118.95 111.33 2kgt s ARG 39 Ca 0.01 0.30 -0.07 0.00 -1.72 0.00 0.00 55.73 54.25 2kgt s ARG 39 Cb 0.08 -0.03 0.04 0.00 -0.45 0.00 0.00 34.95 34.60 2kgt s ARG 39 CO 0.78 -0.09 0.13 -1.59 -0.68 0.00 0.00 175.30 173.85 2kgt s LYS 40 N 0.58 2.62 0.32 3.54 -2.85 -1.26 -2.05 119.74 120.64 2kgt s LYS 40 Ca -0.04 -1.22 0.08 0.00 -1.00 0.00 0.00 55.97 53.79 2kgt s LYS 40 Cb -0.06 -3.52 -0.04 0.00 -2.06 0.00 0.00 37.83 32.15 2kgt s LYS 40 CO -0.03 -0.71 0.16 -2.00 0.10 0.00 0.00 175.35 172.86 2kgt s GLU 41 N 1.41 2.47 0.32 1.78 2.12 -1.22 -5.03 118.70 120.55 2kgt s GLU 41 Ca -0.01 -1.45 0.15 0.00 0.36 0.00 0.00 54.97 54.03 2kgt s GLU 41 Cb -0.20 -2.26 0.49 0.00 0.26 0.00 0.00 34.13 32.42 2kgt s GLU 41 CO 0.03 0.16 1.65 1.05 -0.54 0.00 0.00 175.26 177.61 2kgt h GLU 42 N 1.53 0.00 0.00 4.30 4.11 -2.04 -3.38 114.58 119.09 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 0.49 0.00 1.04 0.07 0.00 0.00 179.01 181.23 2kgt n GLN 43 N -3.59 0.00 -4.33 1.06 6.02 -1.26 -5.03 117.38 110.25 2kgt n GLN 43 Ca -0.00 0.16 -0.21 0.00 -0.01 0.00 0.00 57.00 56.94 2kgt n GLN 43 Cb 0.58 -0.58 -0.11 0.00 1.02 0.00 0.00 30.24 31.15 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 -0.54 1.79 -0.16 1.08 0.23 -1.26 -5.01 118.94 115.07 2kgt s TRP 44 Ca 0.00 -0.48 -0.06 0.00 -2.03 0.00 0.00 56.10 53.53 2kgt s TRP 44 Cb 0.00 -0.89 -0.04 0.00 0.03 0.00 0.00 33.47 32.58 2kgt s TRP 44 CO 0.00 0.33 0.04 -1.58 0.96 0.00 0.00 176.95 176.70 2kgt s TRP 45 N -2.15 3.22 -0.57 -1.98 0.52 -1.26 -3.42 118.94 113.31 2kgt s TRP 45 Ca 0.16 0.06 -0.27 0.00 0.02 0.00 0.00 56.10 56.07 2kgt s TRP 45 Cb -0.05 -2.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 2kgt s TRP 45 CO 0.06 0.22 1.13 -1.58 0.02 0.00 0.00 176.95 176.80 2kgt s TRP 46 N 0.05 2.67 0.14 -1.98 0.52 -0.87 -3.21 118.94 116.27 2kgt s TRP 46 Ca 0.04 0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.54 2kgt s TRP 46 Cb -0.12 -4.40 -0.04 0.00 -1.15 0.00 0.00 33.47 27.76 2kgt s TRP 46 CO 0.01 -1.51 0.20 0.00 0.02 0.00 0.00 176.95 175.67 2kgt s ALA 47 N 4.68 3.76 -0.03 0.98 0.00 -0.33 -0.92 121.76 129.92 2kgt s ALA 47 Ca 0.40 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.29 2kgt s ALA 47 Cb -0.09 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2kgt s ALA 47 CO 0.24 0.56 -0.10 0.99 0.00 0.00 0.00 175.76 177.45 2kgt s THR 48 N -1.70 0.88 -0.27 0.00 2.01 -0.37 -0.57 115.64 115.61 2kgt s THR 48 Ca 0.33 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.77 2kgt s THR 48 Cb -0.11 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2kgt s THR 48 CO 0.26 0.27 0.34 -0.22 -0.69 0.00 0.00 174.62 174.58 2kgt s LEU 49 N 0.16 4.04 0.29 4.42 2.96 -0.85 -3.36 118.68 126.34 2kgt s LEU 49 Ca -0.03 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2kgt s LEU 49 Cb -0.09 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2kgt s LEU 49 CO 0.01 -0.16 0.13 -0.76 -1.32 0.00 0.00 176.35 174.25 2kgt s LEU 50 N 1.99 3.42 1.09 -0.68 1.43 -1.26 -0.55 118.68 124.13 2kgt s LEU 50 Ca 0.14 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.49 2kgt s LEU 50 Cb -0.16 -1.95 0.26 0.00 0.03 0.00 0.00 46.19 44.37 2kgt s LEU 50 CO 0.10 -0.14 1.27 -0.62 0.23 0.00 0.00 176.35 177.19 2kgt s ASP 51 N -3.81 1.94 0.41 2.29 2.15 0.85 -4.83 116.67 115.68 2kgt s ASP 51 Ca 0.35 0.27 0.08 0.00 0.43 0.00 0.00 52.55 53.68 2kgt s ASP 51 Cb -0.06 -0.27 0.87 0.00 -0.30 0.00 0.00 42.92 43.16 2kgt s ASP 51 CO 0.23 -3.46 2.04 1.05 -0.17 0.00 0.00 175.17 174.85 2kgt h GLU 52 N -2.14 0.54 0.00 4.34 4.11 -2.00 -0.10 114.58 119.34 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 1.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2kgt h GLU 52 CO 0.30 0.36 0.00 0.00 0.07 0.00 0.00 179.01 179.74 2kgt h ALA 53 N 1.72 1.00 0.00 1.06 0.00 -2.04 -3.47 119.26 117.53 2kgt h ALA 53 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kgt h ALA 53 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kgt h ALA 53 CO -0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2kgt n GLY 54 N 1.04 0.89 3.64 0.00 0.00 -0.05 -5.07 105.19 105.64 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 -1.78 1.32 0.67 -0.02 0.00 -1.26 -4.44 107.32 101.81 2kgt s GLY 55 Ca 0.00 0.84 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 2kgt s GLY 55 CO 0.00 3.17 0.59 0.00 0.00 0.00 0.00 173.10 176.87 2kgt n ALA 56 N 8.07 -1.19 0.01 3.20 0.00 -1.26 -0.11 120.51 129.23 2kgt n ALA 56 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kgt n ALA 56 Cb 0.43 -1.88 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 -2.15 0.07 -4.65 0.00 0.31 0.29 -4.73 118.33 107.47 2kgt n VAL 57 Ca 0.11 0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 64.17 2kgt n VAL 57 Cb 0.49 -0.51 -0.08 0.00 -0.91 0.00 0.00 33.84 32.83 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 3.55 -0.05 3.52 0.00 -1.15 -5.01 121.76 120.62 2kgt s ALA 58 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2kgt s ALA 58 Cb 0.00 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.50 2kgt s ALA 58 CO 0.00 -0.17 -0.06 -0.65 0.00 0.00 0.00 175.76 174.88 2kgt s GLN 59 N -3.79 1.03 -0.08 0.00 -0.21 -1.26 -2.01 119.66 113.34 2kgt s GLN 59 Ca 0.15 -0.17 -0.16 0.00 0.02 0.00 0.00 55.36 55.20 2kgt s GLN 59 Cb 0.02 -0.98 0.03 0.00 1.00 0.00 0.00 33.01 33.09 2kgt s GLN 59 CO 0.09 -0.07 0.38 0.20 -2.12 0.00 0.00 175.29 173.77 2kgt s GLY 60 N 0.90 -0.25 0.01 3.09 0.00 0.26 -4.77 107.32 106.55 2kgt s GLY 60 Ca -0.11 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.38 2kgt s GLY 60 CO 0.01 0.56 0.01 -2.52 0.00 0.00 0.00 173.10 171.15 2kgt s TYR 61 N -0.66 3.09 0.06 1.90 -0.85 -1.25 -1.18 117.35 118.46 2kgt s TYR 61 Ca -0.08 0.08 -0.16 0.00 -0.52 0.00 0.00 57.07 56.39 2kgt s TYR 61 Cb -0.04 -1.66 0.03 0.00 0.38 0.00 0.00 41.96 40.67 2kgt s TYR 61 CO 0.03 0.47 0.37 0.14 -1.52 0.00 0.00 175.55 175.04 2kgt s VAL 62 N -1.12 0.07 0.59 -3.49 -7.23 -1.20 -4.37 120.40 103.66 2kgt s VAL 62 Ca 0.20 -0.57 -0.18 0.00 -1.81 0.00 0.00 61.98 59.62 2kgt s VAL 62 Cb -0.12 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.77 2kgt s VAL 62 CO 0.11 -0.32 1.12 -2.16 -0.31 0.00 0.00 175.10 173.55 2kgt s PRO 63 N -2.86 3.12 0.61 4.82 0.04 -1.26 -4.11 135.00 135.37 2kgt s PRO 63 Ca -0.03 1.52 0.32 0.00 0.04 0.00 0.00 61.00 62.85 2kgt s PRO 63 Cb 0.00 -1.98 1.83 0.00 0.04 0.00 0.00 34.50 34.39 2kgt s PRO 63 CO -0.05 -1.02 2.15 1.25 0.04 0.00 0.00 177.00 179.38 2kgt h HIS 64 N 0.71 0.00 0.00 0.56 -0.00 -1.95 0.25 115.15 114.72 2kgt h HIS 64 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.88 2kgt h HIS 64 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.67 2kgt h HIS 64 CO 0.53 0.00 -0.00 -0.97 -0.00 0.00 0.00 177.93 177.48 2kgt h ASN 65 N 0.00 0.00 0.12 3.26 -0.73 -2.00 -3.27 115.58 112.96 2kgt h ASN 65 Ca 0.05 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 2kgt h ASN 65 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.94 2kgt h ASN 65 CO -0.00 0.00 -0.06 0.22 -0.37 0.00 0.00 177.43 177.22 2kgt h TYR 66 N 0.00 -0.15 -2.13 0.67 3.20 -0.81 -3.45 116.97 114.30 2kgt h TYR 66 Ca -0.00 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.33 2kgt h TYR 66 Cb 0.82 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.06 2kgt h TYR 66 CO 0.00 0.16 -0.58 -0.48 -1.64 0.00 0.00 178.16 175.62 2kgt s LEU 67 N -9.58 3.44 -0.09 2.82 0.05 -1.15 -4.31 118.68 109.85 2kgt s LEU 67 Ca -0.15 -0.53 -0.00 0.00 0.05 0.00 0.00 54.13 53.51 2kgt s LEU 67 Cb 0.03 -1.96 0.02 0.00 -2.05 0.00 0.00 46.19 42.23 2kgt s LEU 67 CO 0.62 -0.08 -0.07 0.00 -0.55 0.00 0.00 176.35 176.28 2kgt s ALA 68 N -2.28 1.16 0.08 1.48 0.00 0.91 -4.85 121.76 118.26 2kgt s ALA 68 Ca 0.34 -0.42 -0.36 0.00 0.00 0.00 0.00 51.96 51.52 2kgt s ALA 68 Cb -0.06 -0.80 -0.15 0.00 0.00 0.00 0.00 23.12 22.11 2kgt s ALA 68 CO 0.22 -0.32 1.48 -0.85 0.00 0.00 0.00 175.76 176.29 2kgt n GLU 69 N 4.76 1.55 -2.08 0.00 0.28 -1.26 -3.29 120.64 120.59 2kgt n GLU 69 Ca -0.14 0.56 -0.31 0.00 -0.16 0.00 0.00 57.16 57.12 2kgt n GLU 69 Cb 0.50 -2.26 0.03 0.00 1.43 0.00 0.00 31.44 31.14 2kgt n GLU 69 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2kgt n ARG 70 N 3.24 3.21 -1.00 3.44 -4.01 -1.25 -4.92 116.66 115.37 2kgt n ARG 70 Ca 0.19 -4.03 -0.34 0.00 -1.04 0.00 0.00 57.85 52.63 2kgt n ARG 70 Cb 0.23 -2.27 0.09 0.00 -3.04 0.00 0.00 32.46 27.47 2kgt n ARG 70 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 2kgt n GLU 71 N -0.61 -0.03 0.00 2.89 -0.00 -1.26 -4.92 120.64 116.71 2kgt n GLU 71 Ca 0.47 0.04 0.06 0.00 -0.00 0.00 0.00 57.16 57.72 2kgt n GLU 71 Cb 0.63 -1.79 0.05 0.00 -0.00 0.00 0.00 31.44 30.33 2kgt n GLU 71 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76