#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 0.00 -1.55 2.03 3.14 -1.26 -4.70 118.33 116.00 2kgt n VAL 2 Ca 0.00 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.03 2kgt n VAL 2 Cb 0.00 -0.42 -0.04 0.00 -1.06 0.00 0.00 33.84 32.31 2kgt n VAL 2 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2kgt n SER 3 N -2.26 2.08 0.13 6.55 7.64 -1.26 -4.76 113.62 121.73 2kgt n SER 3 Ca 0.10 -0.50 0.01 0.00 1.01 0.00 0.00 58.87 59.49 2kgt n SER 3 Cb 0.45 -1.52 0.04 0.00 -1.01 0.00 0.00 64.21 62.16 2kgt n SER 3 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2kgt h ARG 4 N 18.57 0.00 -6.63 1.43 0.11 -2.08 -3.46 114.38 122.31 2kgt h ARG 4 Ca -0.21 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.29 2kgt h ARG 4 Cb 1.26 0.00 0.15 0.00 1.11 0.00 0.00 29.97 32.49 2kgt h ARG 4 CO 1.18 0.60 -0.01 -0.25 0.10 0.00 0.00 179.97 181.58 2kgt n ASP 5 N -3.31 0.47 -4.39 0.08 9.92 -1.26 -4.91 116.55 113.16 2kgt n ASP 5 Ca 0.01 0.91 -0.33 0.00 -0.53 0.00 0.00 54.79 54.85 2kgt n ASP 5 Cb 0.75 -1.30 0.13 0.00 -0.64 0.00 0.00 41.12 40.05 2kgt n ASP 5 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2kgt n GLN 6 N -0.14 -0.57 -0.08 -1.24 -0.06 -1.26 -4.96 117.38 109.08 2kgt n GLN 6 Ca 0.11 -0.13 -0.15 0.00 -2.00 0.00 0.00 57.00 54.83 2kgt n GLN 6 Cb 0.43 -1.82 -0.13 0.00 -4.06 0.00 0.00 30.24 24.66 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2kgt h ALA 7 N -1.67 0.05 -3.25 1.69 0.00 -1.96 -3.45 119.26 110.66 2kgt h ALA 7 Ca -0.46 -0.62 -0.45 0.00 0.00 0.00 0.00 54.91 53.38 2kgt h ALA 7 Cb 1.30 0.13 -0.39 0.00 0.00 0.00 0.00 17.79 18.83 2kgt h ALA 7 CO 0.35 0.12 -0.76 -1.01 0.00 0.00 0.00 179.25 177.95 2kgt s HIS 8 N -2.24 0.68 -0.14 0.00 3.76 -1.26 -5.13 115.29 110.96 2kgt s HIS 8 Ca -0.21 -0.28 -0.34 0.00 -0.15 0.00 0.00 55.06 54.08 2kgt s HIS 8 Cb -0.01 -0.82 0.13 0.00 1.11 0.00 0.00 32.58 32.98 2kgt s HIS 8 CO 0.67 -0.39 1.17 -0.48 -0.85 0.00 0.00 174.74 174.86 2kgt s LEU 9 N 1.97 -0.16 0.36 0.89 2.34 -1.26 -5.18 118.68 117.64 2kgt s LEU 9 Ca 0.04 -0.02 0.04 0.00 0.06 0.00 0.00 54.13 54.24 2kgt s LEU 9 Cb -0.13 1.49 -0.01 0.00 -0.56 0.00 0.00 46.19 46.97 2kgt s LEU 9 CO -0.06 -0.31 0.53 -0.83 -1.06 0.00 0.00 176.35 174.62 2kgt s GLY 10 N -2.32 1.52 0.46 -3.48 0.00 -1.26 -5.08 107.32 97.17 2kgt s GLY 10 Ca 0.09 -1.26 -0.23 0.00 0.00 0.00 0.00 44.72 43.32 2kgt s GLY 10 CO -0.05 -1.16 1.16 2.56 0.00 0.00 0.00 173.10 175.61 2kgt s PRO 11 N -4.29 3.75 0.57 2.90 0.04 -1.26 -5.05 135.00 131.67 2kgt s PRO 11 Ca 0.44 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 2kgt s PRO 11 Cb -0.10 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.07 2kgt s PRO 11 CO 0.33 -0.56 0.84 -1.59 0.04 0.00 0.00 177.00 176.06 2kgt s LYS 12 N -2.71 2.68 -0.05 4.56 0.00 -1.26 -4.85 119.74 118.11 2kgt s LYS 12 Ca 0.64 -0.40 0.04 0.00 0.00 0.00 0.00 55.97 56.25 2kgt s LYS 12 Cb -0.28 -2.38 -0.02 0.00 0.00 0.00 0.00 37.83 35.15 2kgt s LYS 12 CO 0.34 -0.73 -0.16 0.71 0.00 0.00 0.00 175.35 175.51 2kgt s TYR 13 N -2.88 2.64 0.10 1.78 1.51 0.87 -1.29 117.35 120.09 2kgt s TYR 13 Ca 0.55 -0.25 0.07 0.00 -1.01 0.00 0.00 57.07 56.44 2kgt s TYR 13 Cb -0.10 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 2kgt s TYR 13 CO 0.41 0.12 -0.19 0.54 -1.11 0.00 0.00 175.55 175.32 2kgt s VAL 14 N -0.63 1.56 0.00 0.71 0.11 -0.78 -1.17 120.40 120.20 2kgt s VAL 14 Ca 0.09 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.61 2kgt s VAL 14 Cb -0.11 -1.47 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 2kgt s VAL 14 CO 0.01 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.24 2kgt n GLY 15 N 1.02 -0.43 3.29 6.54 0.00 -1.26 -2.42 105.19 111.94 2kgt n GLY 15 Ca -0.19 0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.87 -4.57 0.99 7.99 -1.26 -3.91 117.00 111.37 2kgt n LEU 16 Ca 0.00 -0.16 -0.28 0.00 -0.01 0.00 0.00 56.01 55.57 2kgt n LEU 16 Cb 0.00 -2.52 -0.06 0.00 -0.11 0.00 0.00 43.42 40.73 2kgt n LEU 16 CO 0.00 -0.81 1.45 0.86 -1.51 0.00 0.00 177.39 177.38 2kgt s TRP 17 N -2.53 1.90 -0.40 -1.77 -0.11 -1.26 -0.35 118.94 114.42 2kgt s TRP 17 Ca 0.16 0.53 -0.23 0.00 1.22 0.00 0.00 56.10 57.77 2kgt s TRP 17 Cb -0.03 -4.01 0.03 0.00 -1.50 0.00 0.00 33.47 27.96 2kgt s TRP 17 CO 0.82 -1.38 0.53 -0.25 -4.62 0.00 0.00 176.95 172.05 2kgt n ASP 18 N 14.27 -6.88 -3.71 5.86 9.92 -1.26 -4.88 116.55 129.87 2kgt n ASP 18 Ca 0.43 0.33 -0.16 0.00 -0.53 0.00 0.00 54.79 54.86 2kgt n ASP 18 Cb 0.47 -3.61 -0.16 0.00 -0.64 0.00 0.00 41.12 37.18 2kgt n ASP 18 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2kgt s PHE 19 N -1.95 -0.11 -0.31 1.24 2.19 -1.22 -4.98 117.98 112.85 2kgt s PHE 19 Ca 0.27 0.44 0.01 0.00 0.33 0.00 0.00 56.93 57.97 2kgt s PHE 19 Cb -0.05 -0.23 0.10 0.00 -1.31 0.00 0.00 43.02 41.53 2kgt s PHE 19 CO 0.76 -0.19 0.07 0.15 1.83 0.00 0.00 175.22 177.83 2kgt s LYS 20 N 1.70 1.02 0.68 10.12 -0.14 -1.26 -2.69 119.74 129.16 2kgt s LYS 20 Ca -0.03 -1.29 -0.02 0.00 -1.36 0.00 0.00 55.97 53.28 2kgt s LYS 20 Cb -0.12 -2.41 0.14 0.00 -1.68 0.00 0.00 37.83 33.76 2kgt s LYS 20 CO -0.05 -0.93 0.93 0.43 -0.76 0.00 0.00 175.35 174.97 2kgt n SER 21 N 4.66 1.12 -0.36 2.83 7.64 -1.24 -4.98 113.62 123.29 2kgt n SER 21 Ca -0.01 -1.98 0.06 0.00 1.01 0.00 0.00 58.87 57.95 2kgt n SER 21 Cb 0.42 -0.62 0.09 0.00 -1.01 0.00 0.00 64.21 63.09 2kgt n SER 21 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kgt n ARG 22 N -2.76 0.75 -3.90 1.43 3.00 -1.26 -4.65 116.66 109.27 2kgt n ARG 22 Ca 0.15 -2.02 -0.09 0.00 -0.01 0.00 0.00 57.85 55.87 2kgt n ARG 22 Cb 0.53 -1.05 -0.08 0.00 0.00 0.00 0.00 32.46 31.86 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 -1.67 0.14 0.65 0.55 -4.23 -1.26 -5.02 115.64 104.79 2kgt s THR 23 Ca 0.21 -1.14 0.38 0.00 -1.18 0.00 0.00 61.69 59.96 2kgt s THR 23 Cb 0.19 -1.11 0.40 0.00 1.34 0.00 0.00 72.50 73.33 2kgt s THR 23 CO -0.00 -0.63 2.27 0.44 -0.54 0.00 0.00 174.62 176.16 2kgt h ASP 24 N 3.26 0.00 -0.07 3.99 5.19 -1.97 -1.05 116.42 125.76 2kgt h ASP 24 Ca -0.33 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.10 2kgt h ASP 24 Cb 1.19 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.69 2kgt h ASP 24 CO 0.53 0.00 0.13 -0.33 -3.12 0.00 0.00 179.24 176.45 2kgt h GLU 25 N 0.00 0.00 -3.95 3.56 5.08 -1.91 -3.33 114.58 114.02 2kgt h GLU 25 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2kgt h GLU 25 Cb 0.13 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.22 2kgt h GLU 25 CO -0.00 0.00 -0.54 -1.21 -1.00 0.00 0.00 179.01 176.26 2kgt s GLU 26 N -4.41 0.66 0.18 2.33 2.02 -0.40 -3.78 118.70 115.30 2kgt s GLU 26 Ca -0.05 -0.96 -0.12 0.00 0.02 0.00 0.00 54.97 53.86 2kgt s GLU 26 Cb 0.14 0.25 -0.07 0.00 0.10 0.00 0.00 34.13 34.55 2kgt s GLU 26 CO 0.46 -0.16 0.54 -0.51 0.02 0.00 0.00 175.26 175.61 2kgt s LEU 27 N -2.57 4.27 -1.03 1.80 2.01 -1.26 -4.52 118.68 117.38 2kgt s LEU 27 Ca 0.01 1.00 -0.06 0.00 0.01 0.00 0.00 54.13 55.10 2kgt s LEU 27 Cb 0.03 -3.42 0.26 0.00 0.01 0.00 0.00 46.19 43.07 2kgt s LEU 27 CO -0.08 0.04 1.01 -0.24 1.01 0.00 0.00 176.35 178.09 2kgt n SER 28 N 0.43 5.07 -3.59 2.29 2.88 -1.26 -3.61 113.62 115.83 2kgt n SER 28 Ca -0.03 -3.09 -0.10 0.00 -1.33 0.00 0.00 58.87 54.32 2kgt n SER 28 Cb 0.52 -1.25 -0.02 0.00 -0.75 0.00 0.00 64.21 62.71 2kgt n SER 28 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2kgt s PHE 29 N -1.40 -0.40 0.38 0.66 5.36 -1.10 -4.95 117.98 116.52 2kgt s PHE 29 Ca 0.30 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 2kgt s PHE 29 Cb -0.08 0.61 -0.03 0.00 -0.34 0.00 0.00 43.02 43.19 2kgt s PHE 29 CO -0.09 -1.00 0.59 -0.98 -1.46 0.00 0.00 175.22 172.28 2kgt s ARG 30 N -3.82 3.41 1.19 10.12 1.70 -1.26 -3.38 118.95 126.91 2kgt s ARG 30 Ca 0.05 -0.34 -0.16 0.00 -0.47 0.00 0.00 55.73 54.82 2kgt s ARG 30 Cb -0.03 -2.63 0.24 0.00 -0.57 0.00 0.00 34.95 31.97 2kgt s ARG 30 CO -0.05 0.05 0.64 0.00 -1.08 0.00 0.00 175.30 174.85 2kgt n ALA 31 N -1.87 -3.57 0.00 7.88 0.00 0.53 -3.71 120.51 119.77 2kgt n ALA 31 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2kgt n ALA 31 Cb 0.56 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.49 3.08 3.77 0.00 0.00 -1.25 -4.93 105.19 107.35 2kgt n GLY 32 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.16 7.29 0.05 1.61 1.11 -1.24 -5.01 116.67 120.31 2kgt s ASP 33 Ca 0.00 1.94 -0.18 0.00 0.18 0.00 0.00 52.55 54.50 2kgt s ASP 33 Cb 0.00 -2.59 -0.06 0.00 1.07 0.00 0.00 42.92 41.34 2kgt s ASP 33 CO 0.00 -0.11 0.51 0.68 1.18 0.00 0.00 175.17 177.44 2kgt s VAL 34 N -1.49 4.84 0.13 -1.27 -7.23 -1.26 -4.35 120.40 109.78 2kgt s VAL 34 Ca 0.49 1.09 0.01 0.00 -1.81 0.00 0.00 61.98 61.76 2kgt s VAL 34 Cb -0.22 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 2kgt s VAL 34 CO 0.28 0.56 -0.00 -0.36 -0.31 0.00 0.00 175.10 175.27 2kgt s PHE 35 N -1.07 0.98 -0.01 2.82 0.08 -0.32 -4.52 117.98 115.94 2kgt s PHE 35 Ca 0.27 -1.05 0.01 0.00 0.12 0.00 0.00 56.93 56.28 2kgt s PHE 35 Cb -0.19 -0.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 2kgt s PHE 35 CO 0.17 -0.29 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.39 2kgt s HIS 36 N -3.77 0.40 -0.09 0.36 2.46 -1.22 -0.09 115.29 113.33 2kgt s HIS 36 Ca 0.19 -0.07 -0.25 0.00 0.47 0.00 0.00 55.06 55.41 2kgt s HIS 36 Cb 0.06 -0.33 -0.03 0.00 -0.13 0.00 0.00 32.58 32.16 2kgt s HIS 36 CO -0.00 -0.06 0.79 0.14 -2.47 0.00 0.00 174.74 173.14 2kgt s VAL 37 N 0.30 4.96 -0.08 0.89 -7.23 -1.26 -2.24 120.40 115.74 2kgt s VAL 37 Ca -0.03 1.61 -0.03 0.00 -1.81 0.00 0.00 61.98 61.72 2kgt s VAL 37 Cb -0.06 -4.12 -0.26 0.00 0.56 0.00 0.00 36.38 32.49 2kgt s VAL 37 CO -0.01 0.16 0.51 0.00 -0.31 0.00 0.00 175.10 175.45 2kgt h ALA 38 N 6.97 0.46 -3.19 1.32 0.00 -1.73 -3.47 119.26 119.63 2kgt h ALA 38 Ca -0.37 -1.35 -0.29 0.00 0.00 0.00 0.00 54.91 52.90 2kgt h ALA 38 Cb 1.18 0.60 -0.35 0.00 0.00 0.00 0.00 17.79 19.22 2kgt h ALA 38 CO 0.78 1.32 -0.65 1.03 0.00 0.00 0.00 179.25 181.74 2kgt s ARG 39 N -2.57 0.03 -0.22 0.00 0.52 -1.24 -5.05 118.95 110.41 2kgt s ARG 39 Ca -0.17 0.47 -0.08 0.00 -0.52 0.00 0.00 55.73 55.42 2kgt s ARG 39 Cb 0.07 -0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 2kgt s ARG 39 CO 0.80 -0.26 0.10 -1.59 0.02 0.00 0.00 175.30 174.36 2kgt s LYS 40 N 1.91 3.91 0.32 3.54 -2.85 -1.26 -0.16 119.74 125.15 2kgt s LYS 40 Ca -0.01 -0.36 0.06 0.00 -1.00 0.00 0.00 55.97 54.67 2kgt s LYS 40 Cb -0.12 -3.36 -0.01 0.00 -2.06 0.00 0.00 37.83 32.28 2kgt s LYS 40 CO -0.05 0.06 0.44 -2.00 0.10 0.00 0.00 175.35 173.90 2kgt s GLU 41 N 0.99 3.14 0.61 1.78 -6.30 -0.68 -4.98 118.70 113.26 2kgt s GLU 41 Ca 0.05 -0.99 0.33 0.00 -2.50 0.00 0.00 54.97 51.86 2kgt s GLU 41 Cb -0.14 -2.81 1.95 0.00 0.00 0.00 0.00 34.13 33.14 2kgt s GLU 41 CO 0.03 0.12 2.26 1.05 0.02 0.00 0.00 175.26 178.74 2kgt h GLU 42 N 0.96 0.00 0.00 4.30 4.11 -2.04 -3.33 114.58 118.58 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 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2kgt h GLU 42 CO 0.54 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.66 2kgt n GLN 43 N -3.63 0.00 -4.41 1.06 6.02 -1.26 -5.07 117.38 110.09 2kgt n GLN 43 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.71 2kgt n GLN 43 Cb 0.11 -0.24 -0.10 0.00 1.02 0.00 0.00 30.24 31.03 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 -0.52 2.38 -0.02 1.08 0.51 -1.25 -4.91 118.94 116.21 2kgt s TRP 44 Ca 0.00 -0.31 -0.01 0.00 -2.12 0.00 0.00 56.10 53.66 2kgt s TRP 44 Cb 0.00 -1.10 -0.04 0.00 -0.81 0.00 0.00 33.47 31.52 2kgt s TRP 44 CO 0.00 0.61 0.07 -1.58 -0.51 0.00 0.00 176.95 175.54 2kgt s TRP 45 N -2.12 3.26 -0.38 -1.98 0.51 -1.26 -1.69 118.94 115.29 2kgt s TRP 45 Ca 0.27 0.21 -0.23 0.00 -2.12 0.00 0.00 56.10 54.22 2kgt s TRP 45 Cb -0.07 -1.75 0.01 0.00 -0.81 0.00 0.00 33.47 30.86 2kgt s TRP 45 CO 0.14 0.54 0.77 -1.58 -0.51 0.00 0.00 176.95 176.31 2kgt s TRP 46 N -1.14 3.10 0.14 -1.98 0.52 0.78 -2.06 118.94 118.29 2kgt s TRP 46 Ca 0.21 0.47 0.03 0.00 0.02 0.00 0.00 56.10 56.82 2kgt s TRP 46 Cb -0.12 -3.41 -0.04 0.00 -1.15 0.00 0.00 33.47 28.75 2kgt s TRP 46 CO 0.12 -0.76 0.24 0.00 0.02 0.00 0.00 176.95 176.57 2kgt s ALA 47 N 3.08 3.89 -0.06 0.98 0.00 -0.23 -1.87 121.76 127.55 2kgt s ALA 47 Ca 0.30 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2kgt s ALA 47 Cb -0.13 -1.70 0.02 0.00 0.00 0.00 0.00 23.12 21.31 2kgt s ALA 47 CO 0.18 0.58 -0.09 0.99 0.00 0.00 0.00 175.76 177.41 2kgt s THR 48 N -1.70 0.94 -0.23 0.00 2.01 -0.95 -0.07 115.64 115.64 2kgt s THR 48 Ca 0.34 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.81 2kgt s THR 48 Cb -0.11 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2kgt s THR 48 CO 0.27 0.32 0.51 -0.22 -0.69 0.00 0.00 174.62 174.81 2kgt s LEU 49 N 0.85 4.09 0.02 4.42 2.96 -0.67 -3.43 118.68 126.92 2kgt s LEU 49 Ca -0.11 0.59 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 2kgt s LEU 49 Cb -0.15 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 2kgt s LEU 49 CO 0.01 -0.24 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.02 2kgt s LEU 50 N 2.01 3.36 1.20 -0.68 1.43 -1.26 -0.05 118.68 124.68 2kgt s LEU 50 Ca 0.22 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 2kgt s LEU 50 Cb -0.15 -1.95 0.29 0.00 0.03 0.00 0.00 46.19 44.40 2kgt s LEU 50 CO 0.09 0.26 1.16 -0.62 0.23 0.00 0.00 176.35 177.48 2kgt s ASP 51 N -1.62 1.01 0.59 2.29 2.15 -1.26 -4.76 116.67 115.07 2kgt s ASP 51 Ca 0.19 0.43 0.29 0.00 0.43 0.00 0.00 52.55 53.89 2kgt s ASP 51 Cb -0.11 -0.53 1.71 0.00 -0.30 0.00 0.00 42.92 43.69 2kgt s ASP 51 CO 0.10 -4.05 2.15 1.05 -0.17 0.00 0.00 175.17 174.26 2kgt h GLU 52 N -2.53 0.00 0.00 4.34 4.11 -2.01 0.21 114.58 118.69 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 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kgt h GLU 52 CO 0.29 0.00 -0.39 0.00 0.07 0.00 0.00 179.01 178.98 2kgt h ALA 53 N 1.84 0.78 -0.34 1.06 0.00 -2.03 -3.48 119.26 117.11 2kgt h ALA 53 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2kgt h ALA 53 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kgt h ALA 53 CO -0.00 0.00 -0.07 0.41 0.00 0.00 0.00 179.25 179.59 2kgt n GLY 54 N 1.21 0.32 1.02 0.00 0.00 0.73 -4.93 105.19 103.53 2kgt n GLY 54 Ca 0.03 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.31 1.55 1.38 -0.02 0.00 -1.26 -4.87 105.19 100.66 2kgt n GLY 55 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2kgt n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgt n ALA 56 N 0.89 -2.34 -0.01 4.61 0.00 -1.26 -4.92 120.51 117.48 2kgt n ALA 56 Ca 0.17 0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.93 2kgt n ALA 56 Cb 0.50 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.55 0.33 -4.44 0.00 0.31 0.93 -4.74 118.33 111.27 2kgt n VAL 57 Ca 0.00 0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 64.39 2kgt n VAL 57 Cb 0.00 -1.48 -0.09 0.00 -0.91 0.00 0.00 33.84 31.36 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 -2.59 2.51 -0.05 3.52 0.00 -1.06 -5.02 121.76 119.07 2kgt s ALA 58 Ca -0.04 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.40 2kgt s ALA 58 Cb 0.01 0.91 0.02 0.00 0.00 0.00 0.00 23.12 24.05 2kgt s ALA 58 CO 0.06 -0.41 -0.06 -0.65 0.00 0.00 0.00 175.76 174.71 2kgt s GLN 59 N -3.74 1.01 -0.19 0.00 -0.21 -1.26 -1.67 119.66 113.60 2kgt s GLN 59 Ca 0.30 -0.17 -0.18 0.00 0.02 0.00 0.00 55.36 55.33 2kgt s GLN 59 Cb 0.04 -0.97 0.05 0.00 1.00 0.00 0.00 33.01 33.13 2kgt s GLN 59 CO 0.16 -0.06 0.52 0.20 -2.12 0.00 0.00 175.29 173.99 2kgt s GLY 60 N 0.89 -0.39 0.36 3.09 0.00 0.90 -4.75 107.32 107.42 2kgt s GLY 60 Ca -0.11 1.45 -0.14 0.00 0.00 0.00 0.00 44.72 45.91 2kgt s GLY 60 CO 0.01 1.24 0.76 -2.52 0.00 0.00 0.00 173.10 172.59 2kgt s TYR 61 N 0.22 3.40 -0.18 1.90 -0.85 -1.25 -1.07 117.35 119.53 2kgt s TYR 61 Ca -0.00 1.19 -0.14 0.00 -0.52 0.00 0.00 57.07 57.60 2kgt s TYR 61 Cb -0.04 -2.53 0.05 0.00 0.38 0.00 0.00 41.96 39.82 2kgt s TYR 61 CO 0.01 0.01 0.45 0.54 -1.52 0.00 0.00 175.55 175.04 2kgt s VAL 62 N -2.13 -0.01 0.58 -3.49 0.11 -0.88 -4.43 120.40 110.16 2kgt s VAL 62 Ca 0.54 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.44 2kgt s VAL 62 Cb -0.10 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2kgt s VAL 62 CO 0.22 0.01 1.12 -2.16 -3.33 0.00 0.00 175.10 170.96 2kgt s PRO 63 N 0.66 3.19 0.55 1.54 0.04 -1.26 -3.98 135.00 135.74 2kgt s PRO 63 Ca -0.03 1.54 0.37 0.00 0.04 0.00 0.00 61.00 62.92 2kgt s PRO 63 Cb -0.05 -1.99 1.93 0.00 0.04 0.00 0.00 34.50 34.43 2kgt s PRO 63 CO -0.04 -0.97 2.12 1.12 0.04 0.00 0.00 177.00 179.27 2kgt h HIS 64 N 0.85 0.00 0.00 0.56 2.07 -1.91 -1.00 115.15 115.71 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 -0.73 -2.01 -3.23 115.58 112.71 2kgt h ASN 65 Ca 0.00 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 2kgt h ASN 65 Cb 0.08 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.64 2kgt h ASN 65 CO 0.00 0.00 -1.45 0.00 -0.37 0.00 0.00 177.43 175.61 2kgt n TYR 66 N -2.58 0.00 -3.42 0.67 9.36 -0.43 -5.04 117.16 115.72 2kgt n TYR 66 Ca -0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 2kgt n TYR 66 Cb 0.15 -0.30 -0.03 0.00 -0.63 0.00 0.00 39.34 38.53 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 -5.96 4.11 -0.03 2.98 2.96 -0.91 -4.07 118.68 117.76 2kgt s LEU 67 Ca -0.11 0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 54.39 2kgt s LEU 67 Cb 0.04 -3.48 0.01 0.00 0.50 0.00 0.00 46.19 43.26 2kgt s LEU 67 CO 0.16 -0.14 0.19 0.00 -1.32 0.00 0.00 176.35 175.23 2kgt s ALA 68 N -2.00 -0.46 0.57 5.97 0.00 -1.01 -4.49 121.76 120.35 2kgt s ALA 68 Ca 0.43 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.36 2kgt s ALA 68 Cb -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2kgt s ALA 68 CO 0.29 -0.18 1.25 -1.83 0.00 0.00 0.00 175.76 175.29 2kgt s GLU 69 N -0.89 3.05 -0.53 0.00 -1.05 -1.26 -1.86 118.70 116.16 2kgt s GLU 69 Ca -0.10 1.95 0.07 0.00 -0.15 0.00 0.00 54.97 56.75 2kgt s GLU 69 Cb -0.05 -2.05 0.27 0.00 -0.44 0.00 0.00 34.13 31.85 2kgt s GLU 69 CO 0.02 -1.18 0.70 0.54 0.95 0.00 0.00 175.26 176.28 2kgt n ARG 70 N -1.37 1.90 -1.71 -4.83 5.12 -0.41 -4.80 116.66 110.57 2kgt n ARG 70 Ca 0.12 -4.12 -0.40 0.00 -1.93 0.00 0.00 57.85 51.52 2kgt n ARG 70 Cb 0.48 -1.87 0.03 0.00 -1.16 0.00 0.00 32.46 29.94 2kgt n ARG 70 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kgt n GLU 71 N 0.85 1.76 0.00 5.56 1.02 -1.26 -4.34 120.64 124.23 2kgt n GLU 71 Ca 0.27 0.64 0.07 0.00 -0.02 0.00 0.00 57.16 58.11 2kgt n GLU 71 Cb 0.47 -2.43 0.06 0.00 -0.02 0.00 0.00 31.44 29.52 2kgt n GLU 71 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94