#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 2.60 -0.17 2.03 -7.23 -1.26 -5.13 120.40 111.25 2kgt s VAL 2 Ca 0.00 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2kgt s VAL 2 Cb 0.00 -2.99 -0.00 0.00 0.56 0.00 0.00 36.38 33.95 2kgt s VAL 2 CO 0.00 -0.06 -0.13 -0.94 -0.31 0.00 0.00 175.10 173.66 2kgt s SER 3 N -3.93 3.77 -0.10 4.85 1.04 -1.26 -5.02 113.70 113.05 2kgt s SER 3 Ca 0.41 -0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 2kgt s SER 3 Cb 0.00 -1.60 -0.14 0.00 0.10 0.00 0.00 66.02 64.39 2kgt s SER 3 CO 0.24 0.06 0.52 -0.09 0.98 0.00 0.00 173.24 174.95 2kgt h ARG 4 N 7.50 -0.06 -5.15 4.02 2.43 -2.08 -3.47 114.38 117.57 2kgt h ARG 4 Ca -0.36 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.47 2kgt h ARG 4 Cb 1.18 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.58 2kgt h ARG 4 CO 0.59 0.43 -0.73 0.16 -1.51 0.00 0.00 179.97 178.90 2kgt s ASP 5 N -5.77 1.79 -0.71 -3.80 -4.77 -1.26 -5.09 116.67 97.05 2kgt s ASP 5 Ca -0.10 -0.91 0.04 0.00 -3.30 0.00 0.00 52.55 48.27 2kgt s ASP 5 Cb -0.01 -0.02 0.24 0.00 -1.09 0.00 0.00 42.92 42.03 2kgt s ASP 5 CO 0.38 -0.26 0.76 0.00 0.70 0.00 0.00 175.17 176.75 2kgt n GLN 6 N 0.16 2.56 -0.06 2.11 0.00 -1.26 -4.91 117.38 115.98 2kgt n GLN 6 Ca -0.13 -4.62 -0.09 0.00 0.00 0.00 0.00 57.00 52.16 2kgt n GLN 6 Cb 0.59 -2.30 -0.02 0.00 0.00 0.00 0.00 30.24 28.51 2kgt n GLN 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kgt h ALA 7 N 4.67 0.31 -2.70 2.61 0.00 -2.04 -3.43 119.26 118.68 2kgt h ALA 7 Ca 0.19 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.51 2kgt h ALA 7 Cb 0.69 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 2kgt h ALA 7 CO 0.86 -0.23 -0.58 -3.38 0.00 0.00 0.00 179.25 175.91 2kgt s HIS 8 N -6.17 3.08 -0.56 0.00 0.00 -1.26 -5.09 115.29 105.29 2kgt s HIS 8 Ca -0.13 -0.05 0.04 0.00 -3.00 0.00 0.00 55.06 51.92 2kgt s HIS 8 Cb 0.09 -1.47 0.15 0.00 -4.00 0.00 0.00 32.58 27.35 2kgt s HIS 8 CO 0.70 0.52 0.35 -0.51 -1.00 0.00 0.00 174.74 174.79 2kgt s LEU 9 N -3.12 3.95 -0.48 5.38 1.43 -1.26 -4.94 118.68 119.63 2kgt s LEU 9 Ca 0.30 -3.24 0.06 0.00 -1.03 0.00 0.00 54.13 50.22 2kgt s LEU 9 Cb -0.10 -1.42 0.27 0.00 0.03 0.00 0.00 46.19 44.96 2kgt s LEU 9 CO 0.22 -0.18 0.96 0.61 0.23 0.00 0.00 176.35 178.20 2kgt n GLY 10 N 2.77 0.22 0.25 -3.19 0.00 -1.26 -5.16 105.19 98.82 2kgt n GLY 10 Ca 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 1.23 -1.17 -1.80 1.61 -0.04 -1.26 -5.04 135.00 128.54 2kgt n PRO 11 Ca 0.08 -0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 2kgt n PRO 11 Cb 0.65 -0.12 0.07 0.00 -0.04 0.00 0.00 33.50 34.07 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 -3.18 2.38 -0.01 0.54 3.01 -1.26 -4.93 119.74 116.29 2kgt s LYS 12 Ca 0.05 0.41 0.05 0.00 -1.01 0.00 0.00 55.97 55.47 2kgt s LYS 12 Cb -0.00 -1.97 -0.03 0.00 -1.01 0.00 0.00 37.83 34.82 2kgt s LYS 12 CO 0.04 -1.36 -0.17 0.71 0.51 0.00 0.00 175.35 175.08 2kgt s TYR 13 N -3.36 2.61 -0.02 3.18 1.51 0.95 -3.24 117.35 118.97 2kgt s TYR 13 Ca 0.60 -0.22 -0.02 0.00 -1.01 0.00 0.00 57.07 56.42 2kgt s TYR 13 Cb -0.12 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 2kgt s TYR 13 CO 0.52 0.19 0.05 0.54 -1.11 0.00 0.00 175.55 175.74 2kgt s VAL 14 N -0.80 -0.00 -3.25 0.71 0.11 -1.22 -0.73 120.40 115.22 2kgt s VAL 14 Ca 0.13 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2kgt s VAL 14 Cb -0.11 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 2kgt s VAL 14 CO 0.02 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.41 2kgt n GLY 15 N 3.07 -0.50 2.84 6.54 0.00 -1.26 -3.34 105.19 112.54 2kgt n GLY 15 Ca -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 -6.99 -4.23 0.99 4.77 -0.81 -4.06 117.00 106.66 2kgt n LEU 16 Ca 0.00 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.80 2kgt n LEU 16 Cb 0.00 -2.95 0.15 0.00 -2.33 0.00 0.00 43.42 38.29 2kgt n LEU 16 CO 0.00 -2.76 -0.77 0.79 -1.33 0.00 0.00 177.39 173.33 2kgt n TRP 17 N 0.77 -1.41 -1.48 -1.77 7.02 -1.26 -2.38 117.44 116.93 2kgt n TRP 17 Ca 0.00 0.21 -0.43 0.00 -1.02 0.00 0.00 57.50 56.26 2kgt n TRP 17 Cb 0.14 -1.53 -0.10 0.00 -2.42 0.00 0.00 31.31 27.41 2kgt n TRP 17 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2kgt n ASP 18 N -0.96 1.22 -3.71 -0.99 9.92 -1.26 -4.28 116.55 116.49 2kgt n ASP 18 Ca 0.00 0.08 -0.12 0.00 -0.53 0.00 0.00 54.79 54.23 2kgt n ASP 18 Cb 0.64 -1.16 -0.12 0.00 -0.64 0.00 0.00 41.12 39.83 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 9.30 -0.46 -0.33 1.24 5.36 -1.18 -5.00 117.98 126.92 2kgt s PHE 19 Ca 1.19 1.01 0.03 0.00 -0.96 0.00 0.00 56.93 58.21 2kgt s PHE 19 Cb -0.91 0.13 0.10 0.00 -0.34 0.00 0.00 43.02 41.99 2kgt s PHE 19 CO 0.44 -0.29 0.05 0.15 -1.46 0.00 0.00 175.22 174.11 2kgt s LYS 20 N 1.47 1.38 0.18 10.12 -0.14 -1.26 -2.28 119.74 129.21 2kgt s LYS 20 Ca -0.08 -1.68 -0.02 0.00 -1.36 0.00 0.00 55.97 52.83 2kgt s LYS 20 Cb -0.10 -2.95 -0.05 0.00 -1.68 0.00 0.00 37.83 33.05 2kgt s LYS 20 CO -0.10 -0.92 0.38 -1.12 -0.76 0.00 0.00 175.35 172.83 2kgt s SER 21 N 1.05 6.41 -0.55 2.83 0.01 -1.23 -4.99 113.70 117.24 2kgt s SER 21 Ca 0.09 0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.81 2kgt s SER 21 Cb -0.19 -2.03 0.46 0.00 0.21 0.00 0.00 66.02 64.48 2kgt s SER 21 CO -0.11 -0.01 1.80 0.54 0.41 0.00 0.00 173.24 175.87 2kgt n ARG 22 N -0.44 2.88 -3.83 12.44 5.12 -1.26 -4.61 116.66 126.95 2kgt n ARG 22 Ca -0.04 -3.50 -0.12 0.00 -1.93 0.00 0.00 57.85 52.27 2kgt n ARG 22 Cb 0.53 -2.27 -0.09 0.00 -1.16 0.00 0.00 32.46 29.47 2kgt n ARG 22 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2kgt s THR 23 N -4.65 0.08 0.17 0.55 -4.23 -1.26 -5.03 115.64 101.28 2kgt s THR 23 Ca 0.60 -0.69 0.35 0.00 -1.18 0.00 0.00 61.69 60.78 2kgt s THR 23 Cb 0.48 -0.63 0.39 0.00 1.34 0.00 0.00 72.50 74.08 2kgt s THR 23 CO 0.01 -0.38 2.04 0.44 -0.54 0.00 0.00 174.62 176.19 2kgt h ASP 24 N 3.91 0.00 0.54 3.99 5.19 -1.93 -1.91 116.42 126.21 2kgt h ASP 24 Ca -0.31 0.00 0.00 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 40.70 2kgt h ASP 24 CO 0.43 0.00 0.00 -0.62 -3.12 0.00 0.00 179.24 175.93 2kgt n GLU 25 N -2.97 0.09 -4.03 3.56 1.02 -1.26 -3.80 120.64 113.25 2kgt n GLU 25 Ca -0.00 0.16 -0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2kgt n GLU 25 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.05 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 -2.85 0.56 0.21 3.49 2.02 -0.72 -3.95 118.70 117.47 2kgt s GLU 26 Ca 0.12 -1.02 0.03 0.00 0.02 0.00 0.00 54.97 54.12 2kgt s GLU 26 Cb 0.12 0.20 -0.03 0.00 0.10 0.00 0.00 34.13 34.52 2kgt s GLU 26 CO 0.32 -0.11 0.36 -0.51 0.02 0.00 0.00 175.26 175.34 2kgt s LEU 27 N -2.52 4.28 -0.59 1.80 2.01 -1.26 -4.59 118.68 117.80 2kgt s LEU 27 Ca 0.01 0.20 0.04 0.00 0.01 0.00 0.00 54.13 54.39 2kgt s LEU 27 Cb 0.03 -2.98 0.15 0.00 0.01 0.00 0.00 46.19 43.40 2kgt s LEU 27 CO -0.08 -0.05 0.37 -0.94 1.01 0.00 0.00 176.35 176.66 2kgt s SER 28 N -3.60 4.38 0.20 2.29 1.04 -1.26 -3.48 113.70 113.27 2kgt s SER 28 Ca 0.36 -3.36 -0.22 0.00 0.48 0.00 0.00 55.95 53.20 2kgt s SER 28 Cb -0.10 -1.54 0.05 0.00 0.10 0.00 0.00 66.02 64.53 2kgt s SER 28 CO 0.30 -0.17 0.66 0.72 0.98 0.00 0.00 173.24 175.73 2kgt s PHE 29 N -0.75 -0.39 0.16 5.02 -0.12 -0.96 -4.93 117.98 115.99 2kgt s PHE 29 Ca 0.21 0.09 -0.08 0.00 -0.05 0.00 0.00 56.93 57.10 2kgt s PHE 29 Cb -0.15 0.62 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 2kgt s PHE 29 CO -0.08 -0.99 0.44 -0.98 -0.05 0.00 0.00 175.22 173.56 2kgt s ARG 30 N -3.79 3.71 1.00 1.99 1.70 -1.26 -3.09 118.95 119.21 2kgt s ARG 30 Ca 0.05 0.09 -0.16 0.00 -0.47 0.00 0.00 55.73 55.25 2kgt s ARG 30 Cb -0.03 -2.81 -0.01 0.00 -0.57 0.00 0.00 34.95 31.53 2kgt s ARG 30 CO -0.05 0.44 -0.10 0.00 -1.08 0.00 0.00 175.30 174.51 2kgt n ALA 31 N 0.19 -3.81 0.00 7.88 0.00 -1.00 -3.18 120.51 120.59 2kgt n ALA 31 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2kgt n ALA 31 Cb 0.52 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 2.20 3.24 3.77 0.00 0.00 -1.26 -4.96 105.19 108.18 2kgt n GLY 32 Ca 0.03 0.00 -0.36 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 -0.73 6.01 -0.12 1.61 1.11 -1.19 -4.90 116.67 118.45 2kgt s ASP 33 Ca 0.00 2.27 -0.06 0.00 0.18 0.00 0.00 52.55 54.94 2kgt s ASP 33 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2kgt s ASP 33 CO 0.00 -1.03 0.09 0.68 1.18 0.00 0.00 175.17 176.10 2kgt s VAL 34 N -1.62 5.11 0.16 -1.27 -7.23 -1.26 -4.13 120.40 110.17 2kgt s VAL 34 Ca 0.67 0.06 -0.09 0.00 -1.81 0.00 0.00 61.98 60.80 2kgt s VAL 34 Cb -0.27 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.45 2kgt s VAL 34 CO 0.32 0.60 0.29 0.72 -0.31 0.00 0.00 175.10 176.73 2kgt s PHE 35 N -0.87 0.36 0.23 2.82 -0.12 0.10 -4.22 117.98 116.27 2kgt s PHE 35 Ca 0.14 -0.72 0.10 0.00 -0.05 0.00 0.00 56.93 56.39 2kgt s PHE 35 Cb -0.12 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 2kgt s PHE 35 CO 0.03 -0.72 -0.11 -1.01 -0.05 0.00 0.00 175.22 173.36 2kgt s HIS 36 N -3.96 2.54 -0.22 3.49 3.76 -1.17 -0.04 115.29 119.69 2kgt s HIS 36 Ca 0.16 -0.26 -0.20 0.00 -0.15 0.00 0.00 55.06 54.61 2kgt s HIS 36 Cb 0.03 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.52 2kgt s HIS 36 CO -0.01 0.58 0.62 0.14 -0.85 0.00 0.00 174.74 175.22 2kgt s VAL 37 N -2.04 5.01 -0.08 -0.90 -7.23 -1.26 -2.49 120.40 111.42 2kgt s VAL 37 Ca 0.27 1.13 -0.20 0.00 -1.81 0.00 0.00 61.98 61.37 2kgt s VAL 37 Cb -0.07 -3.93 -0.29 0.00 0.56 0.00 0.00 36.38 32.65 2kgt s VAL 37 CO 0.16 0.08 0.75 0.00 -0.31 0.00 0.00 175.10 175.78 2kgt h ALA 38 N 7.67 0.01 -2.98 1.32 0.00 -1.71 -3.47 119.26 120.11 2kgt h ALA 38 Ca -0.30 -0.83 -0.16 0.00 0.00 0.00 0.00 54.91 53.63 2kgt h ALA 38 Cb 1.14 0.24 -0.27 0.00 0.00 0.00 0.00 17.79 18.90 2kgt h ALA 38 CO 0.77 0.50 -0.40 1.03 0.00 0.00 0.00 179.25 181.15 2kgt s ARG 39 N -2.42 0.31 -0.35 0.00 1.81 -1.25 -5.00 118.95 112.04 2kgt s ARG 39 Ca -0.17 0.49 -0.07 0.00 -1.72 0.00 0.00 55.73 54.27 2kgt s ARG 39 Cb 0.02 0.05 0.05 0.00 -0.45 0.00 0.00 34.95 34.62 2kgt s ARG 39 CO 0.79 -0.09 0.13 -1.59 -0.68 0.00 0.00 175.30 173.86 2kgt s LYS 40 N 0.65 2.60 0.33 3.54 0.00 -1.26 -0.48 119.74 125.12 2kgt s LYS 40 Ca -0.04 -1.24 0.08 0.00 0.00 0.00 0.00 55.97 54.77 2kgt s LYS 40 Cb -0.05 -3.51 -0.04 0.00 0.00 0.00 0.00 37.83 34.23 2kgt s LYS 40 CO -0.04 -0.72 0.18 -2.00 0.00 0.00 0.00 175.35 172.77 2kgt s GLU 41 N 1.40 2.48 0.39 1.78 2.56 -1.13 -5.02 118.70 121.15 2kgt s GLU 41 Ca -0.01 -1.46 0.20 0.00 0.00 0.00 0.00 54.97 53.70 2kgt s GLU 41 Cb -0.20 -2.26 0.70 0.00 2.00 0.00 0.00 34.13 34.37 2kgt s GLU 41 CO 0.03 0.13 1.74 1.05 -0.56 0.00 0.00 175.26 177.64 2kgt h GLU 42 N 1.48 0.00 0.00 4.30 4.11 -2.04 -3.36 114.58 119.08 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 0.34 -0.19 1.96 0.07 0.00 0.00 179.01 181.80 2kgt h GLN 43 N 0.00 0.00 -4.81 1.06 4.20 -2.03 -3.49 115.11 110.03 2kgt h GLN 43 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 2kgt h GLN 43 Cb 0.89 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.49 2kgt h GLN 43 CO 0.04 0.00 -0.72 -1.58 -0.67 0.00 0.00 178.83 175.90 2kgt s TRP 44 N -1.50 0.96 0.09 2.96 0.52 -1.26 -4.92 118.94 115.79 2kgt s TRP 44 Ca -0.06 -0.71 0.04 0.00 0.02 0.00 0.00 56.10 55.40 2kgt s TRP 44 Cb 0.01 -0.54 -0.04 0.00 -1.15 0.00 0.00 33.47 31.75 2kgt s TRP 44 CO 0.08 -0.05 0.05 -1.58 0.02 0.00 0.00 176.95 175.47 2kgt s TRP 45 N -2.63 3.10 -0.17 -1.98 0.52 -1.19 -2.84 118.94 113.75 2kgt s TRP 45 Ca 0.05 0.02 -0.11 0.00 0.02 0.00 0.00 56.10 56.08 2kgt s TRP 45 Cb -0.02 -1.57 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2kgt s TRP 45 CO -0.01 0.51 0.21 -1.58 0.02 0.00 0.00 176.95 176.09 2kgt s TRP 46 N -1.40 3.46 0.02 -1.98 0.52 0.37 -0.74 118.94 119.19 2kgt s TRP 46 Ca 0.28 0.48 0.04 0.00 0.02 0.00 0.00 56.10 56.92 2kgt s TRP 46 Cb -0.12 -2.21 -0.02 0.00 -1.15 0.00 0.00 33.47 29.97 2kgt s TRP 46 CO 0.21 0.33 -0.13 0.00 0.02 0.00 0.00 176.95 177.38 2kgt s ALA 47 N 0.19 1.06 -0.05 0.98 0.00 0.96 -1.76 121.76 123.14 2kgt s ALA 47 Ca 0.13 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2kgt s ALA 47 Cb -0.12 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2kgt s ALA 47 CO 0.02 0.21 -0.08 0.99 0.00 0.00 0.00 175.76 176.90 2kgt s THR 48 N -0.70 0.76 -0.18 0.00 2.01 -1.04 -0.58 115.64 115.91 2kgt s THR 48 Ca 0.02 -0.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 2kgt s THR 48 Cb -0.07 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2kgt s THR 48 CO 0.01 0.27 0.32 -0.22 -0.69 0.00 0.00 174.62 174.30 2kgt s LEU 49 N 0.77 4.20 0.29 4.42 2.96 -0.58 -3.06 118.68 127.68 2kgt s LEU 49 Ca -0.13 0.47 0.09 0.00 -0.22 0.00 0.00 54.13 54.34 2kgt s LEU 49 Cb -0.15 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 2kgt s LEU 49 CO 0.02 0.03 0.09 -0.76 -1.32 0.00 0.00 176.35 174.41 2kgt s LEU 50 N 0.84 3.34 1.05 -0.68 1.43 -1.26 -0.10 118.68 123.29 2kgt s LEU 50 Ca 0.16 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 2kgt s LEU 50 Cb -0.14 -1.85 0.24 0.00 0.03 0.00 0.00 46.19 44.47 2kgt s LEU 50 CO 0.05 -0.12 1.28 1.51 0.23 0.00 0.00 176.35 179.31 2kgt s ASP 51 N -3.77 2.35 0.60 2.29 -4.77 -1.26 -4.81 116.67 107.30 2kgt s ASP 51 Ca 0.34 0.29 0.31 0.00 -3.30 0.00 0.00 52.55 50.19 2kgt s ASP 51 Cb -0.05 -0.33 1.78 0.00 -1.09 0.00 0.00 42.92 43.23 2kgt s ASP 51 CO 0.22 -3.21 2.16 1.05 0.70 0.00 0.00 175.17 176.09 2kgt h GLU 52 N -1.97 0.00 0.00 2.11 4.11 -2.00 0.23 114.58 117.07 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 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kgt h GLU 52 CO 0.33 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.41 2kgt h ALA 53 N 1.83 1.00 0.00 1.06 0.00 -2.02 -3.47 119.26 117.67 2kgt h ALA 53 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kgt h ALA 53 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 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 0.86 0.67 0.00 0.00 0.00 0.82 -5.03 105.19 102.50 2kgt n GLY 54 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.55 1.71 3.64 -0.02 0.00 -1.26 -4.84 105.19 101.87 2kgt n GLY 55 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kgt n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kgt s ALA 56 N -4.00 -2.13 0.00 4.61 0.00 -1.26 -4.74 121.76 114.25 2kgt s ALA 56 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2kgt s ALA 56 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2kgt s ALA 56 CO 0.00 -0.36 0.00 0.28 0.00 0.00 0.00 175.76 175.68 2kgt n VAL 57 N 0.33 0.00 -4.20 0.00 0.31 0.85 -4.44 118.33 111.18 2kgt n VAL 57 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2kgt n VAL 57 Cb 0.58 -0.24 -0.10 0.00 -0.91 0.00 0.00 33.84 33.17 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 1.20 -0.05 3.52 0.00 -1.14 -5.01 121.76 118.27 2kgt s ALA 58 Ca 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 51.96 50.65 2kgt s ALA 58 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2kgt s ALA 58 CO 0.00 -0.11 -0.16 -0.65 0.00 0.00 0.00 175.76 174.84 2kgt s GLN 59 N -3.42 1.84 0.00 0.00 -0.21 -1.26 -1.53 119.66 115.08 2kgt s GLN 59 Ca 0.11 -0.56 -0.28 0.00 0.02 0.00 0.00 55.36 54.65 2kgt s GLN 59 Cb 0.01 -1.55 0.07 0.00 1.00 0.00 0.00 33.01 32.55 2kgt s GLN 59 CO -0.01 0.16 0.64 0.20 -2.12 0.00 0.00 175.29 174.17 2kgt s GLY 60 N 0.27 -0.57 -0.10 3.09 0.00 0.25 -4.78 107.32 105.47 2kgt s GLY 60 Ca -0.09 1.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.67 2kgt s GLY 60 CO 0.03 0.72 0.01 -2.52 0.00 0.00 0.00 173.10 171.34 2kgt s TYR 61 N -1.85 3.17 0.06 1.90 -0.85 -1.25 -0.03 117.35 118.50 2kgt s TYR 61 Ca -0.08 0.14 -0.14 0.00 -0.52 0.00 0.00 57.07 56.47 2kgt s TYR 61 Cb -0.00 -1.84 0.02 0.00 0.38 0.00 0.00 41.96 40.52 2kgt s TYR 61 CO 0.04 0.39 0.32 0.14 -1.52 0.00 0.00 175.55 174.92 2kgt s VAL 62 N -0.64 0.08 0.58 -3.49 -7.23 0.08 -4.40 120.40 105.38 2kgt s VAL 62 Ca 0.10 -0.69 -0.18 0.00 -1.81 0.00 0.00 61.98 59.40 2kgt s VAL 62 Cb -0.12 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2kgt s VAL 62 CO 0.02 -0.38 1.12 -2.16 -0.31 0.00 0.00 175.10 173.39 2kgt s PRO 63 N -2.89 3.16 0.60 4.82 0.04 -1.26 -3.16 135.00 136.31 2kgt s PRO 63 Ca -0.03 1.53 0.29 0.00 0.04 0.00 0.00 61.00 62.84 2kgt s PRO 63 Cb 0.00 -1.99 1.67 0.00 0.04 0.00 0.00 34.50 34.23 2kgt s PRO 63 CO -0.05 -0.99 2.08 1.25 0.04 0.00 0.00 177.00 179.33 2kgt h HIS 64 N 0.79 0.00 0.00 0.56 2.76 -1.94 0.14 115.15 117.45 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 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2kgt h HIS 64 CO 0.52 0.00 0.00 -0.97 -1.30 0.00 0.00 177.93 176.18 2kgt h ASN 65 N 0.00 0.00 0.04 3.26 -1.24 -2.03 -2.72 115.58 112.89 2kgt h ASN 65 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 2kgt h ASN 65 Cb 0.55 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.60 2kgt h ASN 65 CO -0.00 0.00 -0.41 0.22 -1.29 0.00 0.00 177.43 175.94 2kgt h TYR 66 N 0.00 0.17 -3.93 0.67 5.03 -1.07 -3.49 116.97 114.35 2kgt h TYR 66 Ca 0.00 -0.12 -0.10 0.00 2.58 0.00 0.00 58.73 61.09 2kgt h TYR 66 Cb 0.16 -0.01 -0.14 0.00 1.55 0.00 0.00 36.73 38.29 2kgt h TYR 66 CO 0.00 1.16 -0.43 -0.48 -1.32 0.00 0.00 178.16 177.09 2kgt s LEU 67 N -8.06 1.53 -0.04 2.82 -0.00 -1.03 -1.93 118.68 111.98 2kgt s LEU 67 Ca -0.19 -0.78 -0.15 0.00 -0.00 0.00 0.00 54.13 53.02 2kgt s LEU 67 Cb -0.01 0.89 0.03 0.00 -0.00 0.00 0.00 46.19 47.10 2kgt s LEU 67 CO 0.72 -0.74 0.33 0.00 -0.00 0.00 0.00 176.35 176.66 2kgt s ALA 68 N -3.90 -0.83 0.18 1.48 0.00 -1.21 -4.50 121.76 112.98 2kgt s ALA 68 Ca 0.08 0.49 -0.33 0.00 0.00 0.00 0.00 51.96 52.20 2kgt s ALA 68 Cb 0.05 -0.07 -0.13 0.00 0.00 0.00 0.00 23.12 22.97 2kgt s ALA 68 CO -0.08 -0.24 1.61 -0.85 0.00 0.00 0.00 175.76 176.20 2kgt n GLU 69 N 1.61 2.32 -3.68 0.00 0.28 -1.26 -3.38 120.64 116.53 2kgt n GLU 69 Ca -0.20 0.84 -0.37 0.00 -0.16 0.00 0.00 57.16 57.27 2kgt n GLU 69 Cb 0.56 -2.62 -0.08 0.00 1.43 0.00 0.00 31.44 30.72 2kgt n GLU 69 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2kgt s ARG 70 N 0.95 2.79 0.90 3.44 0.52 -1.20 -4.93 118.95 121.43 2kgt s ARG 70 Ca 0.78 -2.74 -0.12 0.00 -0.52 0.00 0.00 55.73 53.13 2kgt s ARG 70 Cb -0.63 -3.82 0.08 0.00 0.52 0.00 0.00 34.95 31.10 2kgt s ARG 70 CO 0.37 -1.21 0.78 0.39 0.02 0.00 0.00 175.30 175.65 2kgt n GLU 71 N 3.18 -0.23 0.00 3.54 1.02 -1.26 -4.85 120.64 122.04 2kgt n GLU 71 Ca 0.12 -0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.35 2kgt n GLU 71 Cb 0.38 -2.12 0.09 0.00 -0.02 0.00 0.00 31.44 29.77 2kgt n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56