#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 3.15 -1.36 3.17 1.01 -1.26 -5.04 120.40 120.08 2kgt s VAL 2 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 2kgt s VAL 2 Cb 0.00 -2.26 0.09 0.00 0.00 0.00 0.00 36.38 34.21 2kgt s VAL 2 CO 0.00 0.58 1.95 -0.24 0.00 0.00 0.00 175.10 177.39 2kgt n SER 3 N 2.54 4.52 0.07 3.32 2.88 -1.26 -4.66 113.62 121.04 2kgt n SER 3 Ca -0.17 -2.93 -0.06 0.00 -1.33 0.00 0.00 58.87 54.38 2kgt n SER 3 Cb 0.52 -1.64 -0.07 0.00 -0.75 0.00 0.00 64.21 62.27 2kgt n SER 3 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2kgt h ARG 4 N 6.46 0.00 -6.71 -1.46 3.08 -2.11 -3.46 114.38 110.18 2kgt h ARG 4 Ca 0.48 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.95 2kgt h ARG 4 Cb 0.72 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.93 2kgt h ARG 4 CO 1.66 0.93 -0.05 -0.25 -1.07 0.00 0.00 179.97 181.19 2kgt n ASP 5 N -3.42 0.18 -4.66 7.04 8.00 -1.26 -4.99 116.55 117.43 2kgt n ASP 5 Ca -0.00 0.80 -0.33 0.00 0.71 0.00 0.00 54.79 55.97 2kgt n ASP 5 Cb 0.89 -1.31 -0.09 0.00 -0.02 0.00 0.00 41.12 40.58 2kgt n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kgt s GLN 6 N -2.48 2.75 -0.06 -1.24 0.00 -1.26 -5.03 119.66 112.34 2kgt s GLN 6 Ca 0.73 -0.62 -0.19 0.00 -0.00 0.00 0.00 55.36 55.27 2kgt s GLN 6 Cb -0.44 -2.64 -0.31 0.00 0.00 0.00 0.00 33.01 29.63 2kgt s GLN 6 CO 0.50 0.63 0.80 0.00 0.00 0.00 0.00 175.29 177.22 2kgt h ALA 7 N 4.45 -0.02 -1.60 2.60 0.00 -2.00 -3.48 119.26 119.22 2kgt h ALA 7 Ca -0.49 -0.84 0.07 0.00 0.00 0.00 0.00 54.91 53.66 2kgt h ALA 7 Cb 1.18 0.23 -0.26 0.00 0.00 0.00 0.00 17.79 18.93 2kgt h ALA 7 CO 0.56 0.55 0.42 -1.58 0.00 0.00 0.00 179.25 179.20 2kgt s HIS 8 N -2.46 -0.52 -0.04 0.00 2.46 -1.26 -5.17 115.29 108.30 2kgt s HIS 8 Ca -0.15 1.20 0.05 0.00 0.47 0.00 0.00 55.06 56.62 2kgt s HIS 8 Cb 0.02 0.37 -0.02 0.00 -0.13 0.00 0.00 32.58 32.82 2kgt s HIS 8 CO 0.82 -0.25 -0.18 -0.51 -2.47 0.00 0.00 174.74 172.15 2kgt s LEU 9 N 0.54 2.52 0.00 8.88 1.02 -1.26 -4.99 118.68 125.39 2kgt s LEU 9 Ca -0.00 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.87 2kgt s LEU 9 Cb -0.05 -1.49 0.00 0.00 0.02 0.00 0.00 46.19 44.67 2kgt s LEU 9 CO -0.09 0.33 0.00 0.61 0.02 0.00 0.00 176.35 177.23 2kgt n GLY 10 N 2.39 -0.07 0.00 -3.19 0.00 -1.26 -5.12 105.19 97.94 2kgt n GLY 10 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -2.06 1.61 -0.04 -1.26 -4.85 135.00 128.40 2kgt n PRO 11 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2kgt n PRO 11 Cb 0.00 -0.40 0.05 0.00 -0.04 0.00 0.00 33.50 33.11 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 2.64 -0.01 0.54 3.01 -1.26 -4.56 119.74 119.95 2kgt s LYS 12 Ca 0.00 0.19 0.00 0.00 -1.01 0.00 0.00 55.97 55.15 2kgt s LYS 12 Cb 0.00 -2.09 0.01 0.00 -1.01 0.00 0.00 37.83 34.74 2kgt s LYS 12 CO 0.00 -1.07 0.00 0.71 0.51 0.00 0.00 175.35 175.50 2kgt s TYR 13 N -3.29 0.10 -0.02 3.18 2.02 0.86 -3.76 117.35 116.44 2kgt s TYR 13 Ca 0.58 0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 57.29 2kgt s TYR 13 Cb -0.11 -0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.29 2kgt s TYR 13 CO 0.49 -0.05 0.06 0.08 -1.57 0.00 0.00 175.55 174.56 2kgt s VAL 14 N 0.47 -0.01 0.00 0.71 1.01 0.84 -1.39 120.40 122.03 2kgt s VAL 14 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2kgt s VAL 14 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.22 2kgt s VAL 14 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2kgt n GLY 15 N 3.19 0.00 2.65 4.51 0.00 -1.26 -0.03 105.19 114.24 2kgt n GLY 15 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 3.61 -4.53 0.99 7.99 -1.26 -3.89 117.00 119.91 2kgt n LEU 16 Ca 0.00 -5.48 -0.38 0.00 -0.01 0.00 0.00 56.01 50.14 2kgt n LEU 16 Cb 0.00 -0.39 -0.06 0.00 -0.11 0.00 0.00 43.42 42.86 2kgt n LEU 16 CO 0.00 2.24 2.08 1.87 -1.51 0.00 0.00 177.39 182.07 2kgt n TRP 17 N 0.26 1.19 -3.90 -1.77 -0.00 -1.26 -1.23 117.44 110.73 2kgt n TRP 17 Ca 0.29 0.19 -0.32 0.00 -0.00 0.00 0.00 57.50 57.66 2kgt n TRP 17 Cb 0.43 -2.57 0.01 0.00 -0.00 0.00 0.00 31.31 29.18 2kgt n TRP 17 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2kgt n ASP 18 N 14.31 -4.57 -3.95 5.87 5.75 -1.26 -4.87 116.55 127.83 2kgt n ASP 18 Ca 0.45 -1.09 -0.28 0.00 -0.01 0.00 0.00 54.79 53.85 2kgt n ASP 18 Cb 0.40 -1.61 -0.17 0.00 -1.03 0.00 0.00 41.12 38.71 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 -3.17 1.80 -0.07 2.11 5.36 -1.17 -4.99 117.98 117.85 2kgt s PHE 19 Ca 0.17 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 2kgt s PHE 19 Cb -0.09 -1.40 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 2kgt s PHE 19 CO 0.93 -0.59 -0.04 0.15 -1.46 0.00 0.00 175.22 174.20 2kgt s LYS 20 N 1.61 1.01 0.07 10.12 -0.14 -1.26 -3.47 119.74 127.68 2kgt s LYS 20 Ca 0.05 -0.10 0.08 0.00 -1.36 0.00 0.00 55.97 54.64 2kgt s LYS 20 Cb -0.13 -1.12 -0.03 0.00 -1.68 0.00 0.00 37.83 34.87 2kgt s LYS 20 CO -0.09 -0.19 -0.22 -1.12 -0.76 0.00 0.00 175.35 172.97 2kgt s SER 21 N 1.43 2.68 -0.70 2.83 0.01 -1.09 -5.01 113.70 113.85 2kgt s SER 21 Ca -0.02 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.62 2kgt s SER 21 Cb -0.13 -0.19 0.40 0.00 0.21 0.00 0.00 66.02 66.31 2kgt s SER 21 CO -0.03 0.14 1.90 0.54 0.41 0.00 0.00 173.24 176.19 2kgt n ARG 22 N 1.47 2.85 -4.00 12.44 3.00 -1.26 -4.32 116.66 126.84 2kgt n ARG 22 Ca -0.18 -3.55 -0.09 0.00 -0.01 0.00 0.00 57.85 54.02 2kgt n ARG 22 Cb 0.53 -2.28 -0.11 0.00 0.00 0.00 0.00 32.46 30.61 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 -4.98 0.13 0.08 0.55 -4.23 -1.26 -5.03 115.64 100.90 2kgt s THR 23 Ca 0.57 -1.04 0.33 0.00 -1.18 0.00 0.00 61.69 60.37 2kgt s THR 23 Cb 0.46 -0.44 0.37 0.00 1.34 0.00 0.00 72.50 74.23 2kgt s THR 23 CO -0.20 -0.57 1.99 0.44 -0.54 0.00 0.00 174.62 175.74 2kgt h ASP 24 N 4.43 0.00 -0.08 3.99 3.32 -1.92 -1.82 116.42 124.34 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 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2kgt h ASP 24 CO 0.45 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 176.13 2kgt n GLU 25 N -2.91 1.34 -3.85 3.56 0.28 -1.26 -3.72 120.64 114.08 2kgt n GLU 25 Ca 0.00 -0.51 -0.10 0.00 -0.16 0.00 0.00 57.16 56.40 2kgt n GLU 25 Cb 0.25 -1.33 -0.08 0.00 1.43 0.00 0.00 31.44 31.71 2kgt n GLU 25 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2kgt s GLU 26 N -1.90 0.76 0.32 3.44 2.02 -0.68 -4.14 118.70 118.52 2kgt s GLU 26 Ca 0.29 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.47 2kgt s GLU 26 Cb 0.14 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.64 2kgt s GLU 26 CO 0.23 -0.23 0.58 -0.51 0.02 0.00 0.00 175.26 175.34 2kgt s LEU 27 N -2.42 4.00 -0.58 1.80 1.43 -1.26 -4.54 118.68 117.11 2kgt s LEU 27 Ca -0.01 0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2kgt s LEU 27 Cb 0.02 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.86 2kgt s LEU 27 CO -0.07 -0.26 0.36 -0.94 0.23 0.00 0.00 176.35 175.68 2kgt s SER 28 N -3.43 4.21 0.20 2.29 1.04 -1.26 -2.66 113.70 114.09 2kgt s SER 28 Ca 0.44 -3.32 -0.22 0.00 0.48 0.00 0.00 55.95 53.32 2kgt s SER 28 Cb -0.10 -1.45 0.05 0.00 0.10 0.00 0.00 66.02 64.61 2kgt s SER 28 CO 0.33 -0.17 0.64 0.12 0.98 0.00 0.00 173.24 175.14 2kgt s PHE 29 N -0.67 -0.41 0.25 5.02 2.19 -1.23 -4.96 117.98 118.18 2kgt s PHE 29 Ca 0.22 0.11 -0.04 0.00 0.33 0.00 0.00 56.93 57.55 2kgt s PHE 29 Cb -0.14 0.61 -0.05 0.00 -1.31 0.00 0.00 43.02 42.13 2kgt s PHE 29 CO -0.09 -0.99 0.50 -0.98 1.83 0.00 0.00 175.22 175.49 2kgt s ARG 30 N -3.81 3.60 0.68 10.12 1.70 -1.26 -3.89 118.95 126.10 2kgt s ARG 30 Ca 0.05 -0.09 -0.17 0.00 -0.47 0.00 0.00 55.73 55.05 2kgt s ARG 30 Cb -0.03 -2.71 -0.04 0.00 -0.57 0.00 0.00 34.95 31.60 2kgt s ARG 30 CO -0.06 0.28 0.61 0.00 -1.08 0.00 0.00 175.30 175.06 2kgt n ALA 31 N -0.79 -1.15 0.00 7.88 0.00 -0.37 -3.30 120.51 122.79 2kgt n ALA 31 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2kgt n ALA 31 Cb 0.54 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.58 2.10 3.85 0.00 0.00 -1.26 -4.92 105.19 106.55 2kgt n GLY 32 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.49 6.61 -0.12 1.61 -1.08 -1.21 -5.07 116.67 115.92 2kgt s ASP 33 Ca 0.00 1.39 -0.06 0.00 -0.52 0.00 0.00 52.55 53.35 2kgt s ASP 33 Cb 0.00 -2.43 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2kgt s ASP 33 CO 0.00 -0.48 0.12 0.68 0.52 0.00 0.00 175.17 176.01 2kgt s VAL 34 N -2.46 5.30 0.26 1.11 -7.23 -1.26 -4.55 120.40 111.56 2kgt s VAL 34 Ca 0.56 0.13 0.05 0.00 -1.81 0.00 0.00 61.98 60.91 2kgt s VAL 34 Cb -0.10 -3.30 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 2kgt s VAL 34 CO 0.30 0.61 -0.03 -0.36 -0.31 0.00 0.00 175.10 175.30 2kgt s PHE 35 N -0.92 1.76 0.05 2.82 0.08 -0.49 -4.36 117.98 116.92 2kgt s PHE 35 Ca 0.14 -0.80 0.01 0.00 0.12 0.00 0.00 56.93 56.40 2kgt s PHE 35 Cb -0.12 -1.01 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2kgt s PHE 35 CO 0.03 0.13 -0.05 -1.58 -0.10 0.00 0.00 175.22 173.66 2kgt s HIS 36 N -3.20 0.60 -0.23 0.36 2.46 -1.21 -0.10 115.29 113.97 2kgt s HIS 36 Ca 0.29 -0.78 -0.09 0.00 0.47 0.00 0.00 55.06 54.94 2kgt s HIS 36 Cb 0.05 -0.38 -0.04 0.00 -0.13 0.00 0.00 32.58 32.07 2kgt s HIS 36 CO 0.10 -0.21 0.12 0.14 -2.47 0.00 0.00 174.74 172.42 2kgt s VAL 37 N -2.74 4.99 -0.12 0.89 -7.23 -1.26 -1.33 120.40 113.60 2kgt s VAL 37 Ca -0.00 0.05 0.14 0.00 -1.81 0.00 0.00 61.98 60.36 2kgt s VAL 37 Cb -0.01 -3.31 -0.24 0.00 0.56 0.00 0.00 36.38 33.38 2kgt s VAL 37 CO -0.04 0.37 0.36 0.00 -0.31 0.00 0.00 175.10 175.47 2kgt n ALA 38 N 4.28 1.48 -3.41 1.32 0.00 -0.78 -4.94 120.51 118.45 2kgt n ALA 38 Ca -0.16 -1.03 -0.13 0.00 0.00 0.00 0.00 53.44 52.12 2kgt n ALA 38 Cb 0.52 -0.52 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.55 0.15 -0.36 0.00 6.06 -1.25 -5.04 118.95 115.97 2kgt s ARG 39 Ca -0.09 0.32 -0.08 0.00 -2.50 0.00 0.00 55.73 53.38 2kgt s ARG 39 Cb 0.07 -0.05 0.04 0.00 0.06 0.00 0.00 34.95 35.07 2kgt s ARG 39 CO 0.82 -0.10 0.16 -1.59 -2.50 0.00 0.00 175.30 172.09 2kgt s LYS 40 N 0.68 2.69 0.27 5.12 -2.85 -1.26 -1.34 119.74 123.05 2kgt s LYS 40 Ca -0.05 -1.17 0.08 0.00 -1.00 0.00 0.00 55.97 53.82 2kgt s LYS 40 Cb -0.07 -3.60 -0.04 0.00 -2.06 0.00 0.00 37.83 32.07 2kgt s LYS 40 CO -0.03 -0.71 0.17 -2.00 0.10 0.00 0.00 175.35 172.88 2kgt s GLU 41 N 1.46 2.75 0.42 1.78 2.56 -1.18 -5.02 118.70 121.47 2kgt s GLU 41 Ca 0.00 -1.18 0.23 0.00 0.00 0.00 0.00 54.97 54.02 2kgt s GLU 41 Cb -0.20 -2.46 0.77 0.00 2.00 0.00 0.00 34.13 34.24 2kgt s GLU 41 CO 0.04 0.33 1.76 1.05 -0.56 0.00 0.00 175.26 177.88 2kgt h GLU 42 N 1.53 0.00 0.00 4.30 4.11 -2.04 -3.39 114.58 119.09 2kgt h GLU 42 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2kgt h GLU 42 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kgt h GLU 42 CO 0.60 0.25 0.00 1.04 0.07 0.00 0.00 179.01 180.97 2kgt n GLN 43 N -3.34 0.00 -4.31 1.06 1.13 -1.26 -5.04 117.38 105.62 2kgt n GLN 43 Ca 0.01 0.07 -0.25 0.00 -1.94 0.00 0.00 57.00 54.89 2kgt n GLN 43 Cb 0.48 -0.39 -0.08 0.00 0.11 0.00 0.00 30.24 30.35 2kgt n GLN 43 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 2kgt s TRP 44 N -0.51 2.63 -0.15 1.08 -2.14 -1.26 -4.92 118.94 113.66 2kgt s TRP 44 Ca 0.00 -0.23 -0.06 0.00 2.66 0.00 0.00 56.10 58.47 2kgt s TRP 44 Cb 0.00 -1.21 -0.04 0.00 -3.10 0.00 0.00 33.47 29.12 2kgt s TRP 44 CO 0.00 0.58 0.04 -1.58 -2.66 0.00 0.00 176.95 173.34 2kgt s TRP 45 N -2.07 3.23 -0.31 1.66 0.51 -1.19 -3.11 118.94 117.67 2kgt s TRP 45 Ca 0.28 0.08 -0.28 0.00 -2.12 0.00 0.00 56.10 54.07 2kgt s TRP 45 Cb -0.07 -1.99 0.01 0.00 -0.81 0.00 0.00 33.47 30.61 2kgt s TRP 45 CO 0.17 0.24 1.00 -1.58 -0.51 0.00 0.00 176.95 176.28 2kgt s TRP 46 N 0.01 3.18 0.18 -1.98 0.52 -0.45 -0.99 118.94 119.40 2kgt s TRP 46 Ca 0.05 1.14 0.09 0.00 0.02 0.00 0.00 56.10 57.40 2kgt s TRP 46 Cb -0.12 -3.53 -0.04 0.00 -1.15 0.00 0.00 33.47 28.62 2kgt s TRP 46 CO 0.01 -0.69 -0.10 0.00 0.02 0.00 0.00 176.95 176.19 2kgt s ALA 47 N 3.44 2.93 -0.08 0.98 0.00 0.76 -1.87 121.76 127.92 2kgt s ALA 47 Ca 0.42 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.91 2kgt s ALA 47 Cb -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.29 2kgt s ALA 47 CO 0.14 0.47 -0.06 0.99 0.00 0.00 0.00 175.76 177.30 2kgt s THR 48 N -1.69 0.76 -0.35 0.00 2.01 -0.44 -1.83 115.64 114.10 2kgt s THR 48 Ca 0.25 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.84 2kgt s THR 48 Cb -0.09 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2kgt s THR 48 CO 0.15 0.30 0.80 -0.22 -0.69 0.00 0.00 174.62 174.97 2kgt s LEU 49 N 1.43 4.10 0.30 4.42 0.20 -0.48 -3.34 118.68 125.32 2kgt s LEU 49 Ca -0.02 0.46 0.09 0.00 0.69 0.00 0.00 54.13 55.35 2kgt s LEU 49 Cb -0.13 -3.07 -0.04 0.00 -0.43 0.00 0.00 46.19 42.51 2kgt s LEU 49 CO -0.04 -0.72 0.07 -0.76 -0.29 0.00 0.00 176.35 174.61 2kgt s LEU 50 N 3.12 3.24 1.01 -0.68 1.43 -1.26 -0.10 118.68 125.44 2kgt s LEU 50 Ca 0.33 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 2kgt s LEU 50 Cb -0.13 -1.73 0.23 0.00 0.03 0.00 0.00 46.19 44.58 2kgt s LEU 50 CO 0.16 -0.14 1.32 -0.62 0.23 0.00 0.00 176.35 177.31 2kgt s ASP 51 N -3.76 2.64 0.51 2.29 2.15 0.72 -4.83 116.67 116.40 2kgt s ASP 51 Ca 0.34 0.21 0.18 0.00 0.43 0.00 0.00 52.55 53.71 2kgt s ASP 51 Cb -0.04 -0.20 1.27 0.00 -0.30 0.00 0.00 42.92 43.65 2kgt s ASP 51 CO 0.21 -3.02 2.10 1.05 -0.17 0.00 0.00 175.17 175.34 2kgt h GLU 52 N -1.84 0.05 0.00 4.34 4.11 -1.98 0.93 114.58 120.18 2kgt h GLU 52 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 2kgt h GLU 52 Cb 1.22 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2kgt h GLU 52 CO 0.33 0.03 0.00 0.00 0.07 0.00 0.00 179.01 179.44 2kgt h ALA 53 N 1.91 1.00 0.00 1.06 0.00 -2.04 -3.47 119.26 117.72 2kgt h ALA 53 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kgt h ALA 53 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kgt h ALA 53 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2kgt n GLY 54 N 1.09 1.10 3.69 0.00 0.00 0.32 -5.07 105.19 106.32 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 1.61 0.86 -0.02 0.00 -1.26 -4.49 107.32 101.92 2kgt s GLY 55 Ca 0.00 1.11 -0.14 0.00 0.00 0.00 0.00 44.72 45.69 2kgt s GLY 55 CO 0.00 2.84 0.45 0.00 0.00 0.00 0.00 173.10 176.39 2kgt n ALA 56 N 5.77 -2.17 0.16 3.20 0.00 -1.26 -0.20 120.51 126.01 2kgt n ALA 56 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2kgt n ALA 56 Cb 0.41 -1.82 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 -3.06 0.00 -4.52 0.00 0.31 0.85 -4.68 118.33 107.22 2kgt n VAL 57 Ca 0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.16 2kgt n VAL 57 Cb 0.52 -0.39 -0.10 0.00 -0.91 0.00 0.00 33.84 32.96 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 2.86 -0.05 3.52 0.00 -0.81 -5.00 121.76 120.28 2kgt s ALA 58 Ca 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 51.96 49.92 2kgt s ALA 58 Cb 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2kgt s ALA 58 CO 0.00 0.07 -0.06 -0.65 0.00 0.00 0.00 175.76 175.12 2kgt s GLN 59 N -3.62 1.01 0.03 0.00 -0.21 -1.26 -1.38 119.66 114.23 2kgt s GLN 59 Ca 0.32 -0.17 -0.28 0.00 0.02 0.00 0.00 55.36 55.26 2kgt s GLN 59 Cb 0.02 -0.97 0.07 0.00 1.00 0.00 0.00 33.01 33.14 2kgt s GLN 59 CO 0.16 -0.07 0.65 0.20 -2.12 0.00 0.00 175.29 174.11 2kgt s GLY 60 N 0.90 -0.60 -0.08 3.09 0.00 -0.76 -4.80 107.32 105.07 2kgt s GLY 60 Ca -0.11 1.00 0.03 0.00 0.00 0.00 0.00 44.72 45.64 2kgt s GLY 60 CO 0.01 0.65 -0.17 -2.52 0.00 0.00 0.00 173.10 171.07 2kgt s TYR 61 N -2.19 2.67 0.07 1.90 -0.85 -1.24 -0.17 117.35 117.54 2kgt s TYR 61 Ca -0.06 -0.48 -0.16 0.00 -0.52 0.00 0.00 57.07 55.84 2kgt s TYR 61 Cb -0.00 -1.70 0.03 0.00 0.38 0.00 0.00 41.96 40.67 2kgt s TYR 61 CO 0.01 -0.06 0.38 0.14 -1.52 0.00 0.00 175.55 174.50 2kgt s VAL 62 N -0.20 0.07 0.47 -3.49 -7.23 -0.17 -4.25 120.40 105.61 2kgt s VAL 62 Ca -0.01 -0.56 -0.23 0.00 -1.81 0.00 0.00 61.98 59.38 2kgt s VAL 62 Cb -0.13 -1.05 -0.07 0.00 0.56 0.00 0.00 36.38 35.69 2kgt s VAL 62 CO 0.03 -0.31 1.16 -2.16 -0.31 0.00 0.00 175.10 173.51 2kgt s PRO 63 N -3.03 3.71 0.42 4.82 0.04 -1.26 -3.14 135.00 136.56 2kgt s PRO 63 Ca -0.02 1.75 0.29 0.00 0.04 0.00 0.00 61.00 63.07 2kgt s PRO 63 Cb 0.00 -2.36 1.45 0.00 0.04 0.00 0.00 34.50 33.63 2kgt s PRO 63 CO -0.06 -0.59 1.89 1.25 0.04 0.00 0.00 177.00 179.53 2kgt h HIS 64 N 1.95 0.00 0.00 0.56 2.76 -1.95 -2.09 115.15 116.38 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 1.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.21 2kgt h HIS 64 CO 0.53 0.00 0.00 -0.97 -1.30 0.00 0.00 177.93 176.19 2kgt h ASN 65 N 0.00 0.00 0.00 3.26 -0.73 -2.01 -3.18 115.58 112.92 2kgt h ASN 65 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2kgt h ASN 65 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.75 2kgt h ASN 65 CO 0.00 0.00 -0.58 0.00 -0.37 0.00 0.00 177.43 176.48 2kgt n TYR 66 N -2.95 0.39 -3.49 0.67 9.36 -0.79 -4.96 117.16 115.39 2kgt n TYR 66 Ca -0.02 0.17 -0.37 0.00 3.32 0.00 0.00 57.90 60.99 2kgt n TYR 66 Cb 0.09 -0.53 -0.06 0.00 -0.63 0.00 0.00 39.34 38.20 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 -7.34 4.45 -0.00 2.98 0.05 -1.20 -4.48 118.68 113.14 2kgt s LEU 67 Ca -0.17 0.96 0.03 0.00 0.05 0.00 0.00 54.13 55.00 2kgt s LEU 67 Cb 0.02 -2.69 -0.01 0.00 -2.05 0.00 0.00 46.19 41.46 2kgt s LEU 67 CO 0.25 0.29 -0.09 0.00 -0.55 0.00 0.00 176.35 176.24 2kgt s ALA 68 N -1.15 0.78 0.08 1.48 0.00 0.96 -4.60 121.76 119.30 2kgt s ALA 68 Ca 0.26 -0.42 -0.33 0.00 0.00 0.00 0.00 51.96 51.47 2kgt s ALA 68 Cb -0.16 -0.19 -0.12 0.00 0.00 0.00 0.00 23.12 22.64 2kgt s ALA 68 CO 0.15 0.19 1.74 -0.85 0.00 0.00 0.00 175.76 176.98 2kgt n GLU 69 N 2.79 2.33 -2.67 0.00 0.28 -1.26 -0.11 120.64 122.01 2kgt n GLU 69 Ca -0.14 0.85 -0.26 0.00 -0.16 0.00 0.00 57.16 57.45 2kgt n GLU 69 Cb 0.57 -2.67 -0.01 0.00 1.43 0.00 0.00 31.44 30.75 2kgt n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kgt n ARG 70 N 4.97 3.22 -0.78 3.44 5.12 -1.25 -4.84 116.66 126.55 2kgt n ARG 70 Ca 0.19 -4.56 -0.33 0.00 -1.93 0.00 0.00 57.85 51.22 2kgt n ARG 70 Cb 0.31 -2.19 0.13 0.00 -1.16 0.00 0.00 32.46 29.55 2kgt n ARG 70 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2kgt n GLU 71 N -0.36 -0.53 0.00 5.56 0.28 -1.26 -4.99 120.64 119.34 2kgt n GLU 71 Ca 0.35 -0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 2kgt n GLU 71 Cb 0.57 -1.81 0.00 0.00 1.43 0.00 0.00 31.44 31.63 2kgt n GLU 71 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60