#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cks n HIS 3 N 0.00 0.00 -2.68 0.00 -0.00 -1.26 -5.12 115.22 106.16 1cks n HIS 3 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1cks n HIS 3 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 1cks n HIS 3 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1cks n LYS 4 N 0.00 0.65 -3.33 1.57 2.85 -1.26 -5.07 118.16 113.57 1cks n LYS 4 Ca 0.00 -1.28 -0.21 0.00 -1.05 0.00 0.00 58.31 55.77 1cks n LYS 4 Cb 0.00 -0.21 -0.00 0.00 -0.65 0.00 0.00 35.03 34.17 1cks n LYS 4 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cks s GLN 5 N 0.13 3.17 -0.04 -1.58 1.11 -1.26 -4.93 119.66 116.25 1cks s GLN 5 Ca 0.15 -0.72 -0.16 0.00 0.01 0.00 0.00 55.36 54.65 1cks s GLN 5 Cb 0.25 -2.71 -0.05 0.00 -1.01 0.00 0.00 33.01 29.49 1cks s GLN 5 CO -0.08 -0.02 0.42 0.42 0.01 0.00 0.00 175.29 176.04 1cks s ILE 6 N -2.31 5.09 -0.17 1.08 1.01 -1.26 -4.37 121.20 120.27 1cks s ILE 6 Ca 0.45 0.85 -0.08 0.00 0.00 0.00 0.00 60.65 61.87 1cks s ILE 6 Cb -0.10 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1cks s ILE 6 CO 0.34 0.49 0.10 -0.47 0.00 0.00 0.00 174.94 175.40 1cks s TYR 7 N -0.48 3.39 -0.23 3.97 5.04 -0.64 -4.96 117.35 123.44 1cks s TYR 7 Ca 0.24 0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 55.11 1cks s TYR 7 Cb -0.16 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.09 1cks s TYR 7 CO 0.12 0.37 -0.02 0.71 -1.34 0.00 0.00 175.55 175.39 1cks s TYR 8 N -0.08 2.99 0.97 4.97 1.51 -1.26 -0.99 117.35 125.46 1cks s TYR 8 Ca 0.09 -0.86 -0.13 0.00 -1.01 0.00 0.00 57.07 55.16 1cks s TYR 8 Cb -0.12 -2.13 0.17 0.00 -0.11 0.00 0.00 41.96 39.77 1cks s TYR 8 CO 0.00 -0.52 1.12 -1.54 -1.11 0.00 0.00 175.55 173.50 1cks s SER 9 N 1.50 2.95 0.35 2.29 1.04 -0.57 -5.02 113.70 116.24 1cks s SER 9 Ca 0.06 1.05 -0.27 0.00 0.48 0.00 0.00 55.95 57.27 1cks s SER 9 Cb -0.14 -1.66 -0.09 0.00 0.10 0.00 0.00 66.02 64.23 1cks s SER 9 CO -0.02 -2.91 1.11 -1.81 0.98 0.00 0.00 173.24 170.58 1cks s ASP 10 N -3.74 6.90 0.38 7.02 1.01 -1.26 -4.73 116.67 122.25 1cks s ASP 10 Ca 0.65 2.23 -0.25 0.00 0.71 0.00 0.00 52.55 55.89 1cks s ASP 10 Cb -0.17 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.06 1cks s ASP 10 CO 0.56 -0.40 1.07 -0.54 0.21 0.00 0.00 175.17 176.06 1cks s LYS 11 N -2.00 4.24 0.29 8.23 1.02 -1.26 -4.72 119.74 125.54 1cks s LYS 11 Ca 0.52 1.59 0.04 0.00 0.02 0.00 0.00 55.97 58.14 1cks s LYS 11 Cb -0.29 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.31 1cks s LYS 11 CO 0.37 -0.09 0.23 1.52 -0.92 0.00 0.00 175.35 176.46 1cks s TYR 12 N -1.54 1.54 0.20 3.18 1.13 -0.92 -4.98 117.35 115.97 1cks s TYR 12 Ca 0.55 -1.56 -0.18 0.00 -1.41 0.00 0.00 57.07 54.47 1cks s TYR 12 Cb -0.25 -0.65 0.03 0.00 -1.10 0.00 0.00 41.96 39.99 1cks s TYR 12 CO 0.31 -0.80 0.55 -0.59 -2.51 0.00 0.00 175.55 172.51 1cks s PHE 13 N -3.69 -0.14 0.00 -3.49 -0.12 -1.26 -0.74 117.98 108.54 1cks s PHE 13 Ca 0.40 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 1cks s PHE 13 Cb 0.04 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1cks s PHE 13 CO 0.22 -0.95 0.00 -0.40 -0.05 0.00 0.00 175.22 174.05 1cks n ASP 14 N -0.36 0.71 0.31 1.98 5.68 -0.23 -4.99 116.55 119.65 1cks n ASP 14 Ca -0.10 0.00 0.19 0.00 -0.50 0.00 0.00 54.79 54.38 1cks n ASP 14 Cb 0.62 0.00 0.99 0.00 -1.14 0.00 0.00 41.12 41.59 1cks n ASP 14 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1cks h GLU 15 N 0.00 0.00 0.00 0.11 5.08 -2.05 -3.35 114.58 114.37 1cks h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cks h GLU 15 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cks h GLU 15 CO 0.00 0.02 -0.73 0.72 -1.00 0.00 0.00 179.01 178.02 1cks n HIS 16 N -3.32 0.00 -4.19 4.33 8.25 -1.26 -5.10 115.22 113.93 1cks n HIS 16 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 1cks n HIS 16 Cb 0.14 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 1cks n HIS 16 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1cks s TYR 17 N -1.66 1.02 0.12 4.41 2.02 -1.26 -5.14 117.35 116.86 1cks s TYR 17 Ca 0.00 -0.79 -0.09 0.00 -0.37 0.00 0.00 57.07 55.82 1cks s TYR 17 Cb 0.00 -0.56 -0.06 0.00 -0.40 0.00 0.00 41.96 40.94 1cks s TYR 17 CO 0.00 -0.05 0.42 -1.21 -1.57 0.00 0.00 175.55 173.14 1cks s GLU 18 N -3.44 3.74 0.02 -0.62 2.02 -1.26 -1.07 118.70 118.09 1cks s GLU 18 Ca 0.10 0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.25 1cks s GLU 18 Cb 0.02 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1cks s GLU 18 CO -0.02 0.50 -0.06 0.71 0.02 0.00 0.00 175.26 176.41 1cks s TYR 19 N -1.53 0.50 0.08 1.61 2.02 0.08 -4.97 117.35 115.14 1cks s TYR 19 Ca 0.37 -0.27 -0.20 0.00 -0.37 0.00 0.00 57.07 56.61 1cks s TYR 19 Cb -0.13 -0.31 0.05 0.00 -0.40 0.00 0.00 41.96 41.16 1cks s TYR 19 CO 0.20 -0.05 0.47 -0.98 -1.57 0.00 0.00 175.55 173.63 1cks s ARG 20 N -0.76 1.04 0.06 -0.62 1.70 -1.26 -2.16 118.95 116.95 1cks s ARG 20 Ca -0.04 -0.40 0.04 0.00 -0.47 0.00 0.00 55.73 54.86 1cks s ARG 20 Cb -0.05 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1cks s ARG 20 CO 0.00 -0.39 -0.02 -1.01 -1.08 0.00 0.00 175.30 172.80 1cks s HIS 21 N -2.91 2.97 0.01 5.89 3.76 -1.26 -5.01 115.29 118.74 1cks s HIS 21 Ca -0.03 -0.02 0.07 0.00 -0.15 0.00 0.00 55.06 54.93 1cks s HIS 21 Cb -0.00 -1.56 -0.02 0.00 1.11 0.00 0.00 32.58 32.11 1cks s HIS 21 CO -0.05 0.46 -0.21 0.08 -0.85 0.00 0.00 174.74 174.16 1cks s VAL 22 N -1.22 1.67 -0.14 -0.90 1.01 -1.26 -1.51 120.40 118.05 1cks s VAL 22 Ca 0.23 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1cks s VAL 22 Cb -0.12 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1cks s VAL 22 CO 0.15 0.35 -0.19 -0.04 0.00 0.00 0.00 175.10 175.36 1cks s MET 23 N -0.82 3.11 -0.12 2.72 -1.94 -0.16 -4.98 119.30 117.11 1cks s MET 23 Ca 0.08 -0.81 -0.06 0.00 -1.71 0.00 0.00 55.69 53.19 1cks s MET 23 Cb -0.08 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 1cks s MET 23 CO 0.00 0.02 0.13 -0.51 -0.01 0.00 0.00 175.02 174.65 1cks s LEU 24 N 0.76 4.30 0.56 -0.03 1.43 -1.26 -1.62 118.68 122.82 1cks s LEU 24 Ca -0.07 0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 53.26 1cks s LEU 24 Cb -0.16 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 1cks s LEU 24 CO 0.00 0.41 1.12 -0.81 0.23 0.00 0.00 176.35 177.29 1cks n PRO 25 N 1.99 1.21 -0.35 1.29 -0.04 -1.26 -4.79 135.00 133.05 1cks n PRO 25 Ca -0.20 0.46 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1cks n PRO 25 Cb 0.55 -2.30 0.26 0.00 -0.04 0.00 0.00 33.50 31.96 1cks n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cks h ARG 26 N 0.91 0.87 -0.75 0.54 3.08 -1.98 -1.26 114.38 115.80 1cks h ARG 26 Ca -0.49 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 1cks h ARG 26 Cb 1.34 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.16 1cks h ARG 26 CO 0.54 0.58 0.32 1.05 -1.07 0.00 0.00 179.97 181.39 1cks h GLU 27 N 0.90 1.10 -0.04 0.04 4.11 -2.01 -2.10 114.58 116.58 1cks h GLU 27 Ca 0.52 -0.18 -0.18 0.00 0.07 0.00 0.00 59.36 59.58 1cks h GLU 27 Cb 0.62 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1cks h GLU 27 CO -0.31 0.88 -0.75 -0.07 0.07 0.00 0.00 179.01 178.83 1cks h LEU 28 N 1.07 0.33 0.00 3.06 4.07 -1.88 -2.92 115.31 119.04 1cks h LEU 28 Ca 0.25 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1cks h LEU 28 Cb 0.18 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1cks h LEU 28 CO -0.03 0.97 0.00 -1.54 -1.08 0.00 0.00 178.44 176.76 1cks n SER 29 N -3.78 0.00 0.07 -0.43 3.41 -0.50 -1.09 113.62 111.31 1cks n SER 29 Ca -0.04 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 58.99 1cks n SER 29 Cb 0.72 -0.39 0.42 0.00 -0.26 0.00 0.00 64.21 64.70 1cks n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1cks n LYS 30 N -1.39 0.20 -0.39 4.33 4.01 -0.96 -3.55 118.16 120.40 1cks n LYS 30 Ca 0.05 0.15 0.12 0.00 -0.51 0.00 0.00 58.31 58.12 1cks n LYS 30 Cb 0.15 -1.71 0.33 0.00 -0.51 0.00 0.00 35.03 33.28 1cks n LYS 30 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1cks n GLN 31 N -2.05 2.78 -3.08 1.97 6.02 -0.25 -4.93 117.38 117.85 1cks n GLN 31 Ca 0.06 -2.67 -0.40 0.00 -0.01 0.00 0.00 57.00 53.98 1cks n GLN 31 Cb 0.41 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 1cks n GLN 31 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1cks s VAL 32 N -1.07 5.05 0.28 5.09 1.01 -1.23 -5.03 120.40 124.49 1cks s VAL 32 Ca 0.49 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 1cks s VAL 32 Cb 0.26 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 1cks s VAL 32 CO 0.33 0.24 1.19 -2.65 0.00 0.00 0.00 175.10 174.21 1cks n PRO 33 N 3.95 1.68 0.01 2.72 -0.02 -1.26 -4.92 135.00 137.16 1cks n PRO 33 Ca -0.02 0.59 0.11 0.00 -2.02 0.00 0.00 63.50 62.16 1cks n PRO 33 Cb 0.51 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 1cks n PRO 33 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cks n LYS 34 N 1.12 0.28 -0.00 -0.52 5.02 -1.26 -4.49 118.16 118.30 1cks n LYS 34 Ca 0.09 -0.06 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 1cks n LYS 34 Cb 0.32 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1cks n LYS 34 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1cks n THR 35 N -1.86 0.00 -3.91 -0.18 -2.24 -1.26 -5.02 114.28 99.81 1cks n THR 35 Ca 0.01 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1cks n THR 35 Cb 0.43 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1cks n THR 35 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1cks s HIS 36 N -2.07 0.27 0.53 4.78 -3.43 -1.26 -5.15 115.29 108.96 1cks s HIS 36 Ca 0.03 -0.62 -0.16 0.00 -0.80 0.00 0.00 55.06 53.50 1cks s HIS 36 Cb 0.07 0.09 -0.07 0.00 -1.43 0.00 0.00 32.58 31.24 1cks s HIS 36 CO 0.42 -0.81 1.00 -0.51 -2.00 0.00 0.00 174.74 172.84 1cks s LEU 37 N -2.95 3.59 0.16 5.38 1.43 -1.26 -4.73 118.68 120.30 1cks s LEU 37 Ca 0.16 1.62 -0.04 0.00 -1.03 0.00 0.00 54.13 54.84 1cks s LEU 37 Cb 0.02 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1cks s LEU 37 CO 0.01 -0.72 0.38 -0.04 0.23 0.00 0.00 176.35 176.21 1cks s MET 38 N -4.10 3.59 0.66 1.70 -1.94 -1.26 -5.09 119.30 112.86 1cks s MET 38 Ca 0.60 -0.15 -0.05 0.00 -1.71 0.00 0.00 55.69 54.38 1cks s MET 38 Cb -0.11 -2.84 0.05 0.00 2.01 0.00 0.00 34.83 33.94 1cks s MET 38 CO 0.33 0.45 0.96 -1.54 -0.01 0.00 0.00 175.02 175.20 1cks s SER 39 N -2.62 4.98 0.38 3.03 1.04 -1.26 -4.39 113.70 114.86 1cks s SER 39 Ca 0.40 0.39 0.10 0.00 0.48 0.00 0.00 55.95 57.33 1cks s SER 39 Cb -0.12 -1.12 0.87 0.00 0.10 0.00 0.00 66.02 65.75 1cks s SER 39 CO 0.26 -1.46 1.92 -0.08 0.98 0.00 0.00 173.24 174.86 1cks h GLU 40 N -0.43 0.60 -0.52 4.02 4.81 -1.99 -1.31 114.58 119.76 1cks h GLU 40 Ca -0.44 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.66 1cks h GLU 40 Cb 1.31 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1cks h GLU 40 CO 0.59 0.40 -0.06 1.05 -0.73 0.00 0.00 179.01 180.25 1cks h GLU 41 N 0.62 0.93 -0.07 1.92 9.09 -1.99 -1.55 114.58 123.52 1cks h GLU 41 Ca 0.37 -0.30 -0.15 0.00 0.05 0.00 0.00 59.36 59.33 1cks h GLU 41 Cb 0.59 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.62 1cks h GLU 41 CO -0.14 0.95 -0.54 0.93 0.05 0.00 0.00 179.01 180.26 1cks h GLU 42 N 0.84 0.50 0.00 1.06 5.08 -1.65 -1.62 114.58 118.79 1cks h GLU 42 Ca 0.14 -0.44 -0.19 0.00 -1.00 0.00 0.00 59.36 57.88 1cks h GLU 42 Cb 0.58 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1cks h GLU 42 CO 0.04 1.07 -0.84 0.11 -1.00 0.00 0.00 179.01 178.38 1cks h TRP 43 N 0.07 0.19 -0.87 4.33 5.08 -1.33 -2.72 115.95 120.70 1cks h TRP 43 Ca -0.05 -0.11 0.01 0.00 1.08 0.00 0.00 58.89 59.82 1cks h TRP 43 Cb 1.21 -0.02 -0.04 0.00 -3.00 0.00 0.00 29.16 27.30 1cks h TRP 43 CO 0.12 0.91 0.56 0.00 -1.28 0.00 0.00 178.44 178.75 1cks h ARG 44 N 0.07 1.15 -0.59 0.12 3.08 -1.30 -2.32 114.38 114.59 1cks h ARG 44 Ca -0.03 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1cks h ARG 44 Cb 1.47 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1cks h ARG 44 CO 0.12 0.77 0.35 0.00 -1.07 0.00 0.00 179.97 180.14 1cks h ARG 45 N 1.18 0.80 0.00 0.04 3.08 -1.13 0.13 114.38 118.48 1cks h ARG 45 Ca 0.32 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1cks h ARG 45 Cb -0.12 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.76 1cks h ARG 45 CO -0.07 0.57 0.00 1.28 -1.07 0.00 0.00 179.97 180.68 1cks n LEU 46 N -4.41 0.57 0.00 3.04 4.77 -0.89 -4.89 117.00 115.19 1cks n LEU 46 Ca 0.06 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1cks n LEU 46 Cb 0.08 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1cks n LEU 46 CO 0.37 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1cks n GLY 47 N -0.79 1.08 3.67 -0.72 0.00 0.03 -5.07 105.19 103.40 1cks n GLY 47 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1cks n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cks s VAL 48 N -2.00 4.53 -0.29 1.61 1.01 -1.10 -4.98 120.40 119.17 1cks s VAL 48 Ca 0.00 1.83 -0.05 0.00 0.00 0.00 0.00 61.98 63.77 1cks s VAL 48 Cb 0.00 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.23 1cks s VAL 48 CO 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 175.10 175.06 1cks s GLN 49 N 2.68 2.80 0.10 2.72 -2.07 -1.26 -4.26 119.66 120.37 1cks s GLN 49 Ca 0.50 -1.03 -0.05 0.00 -1.82 0.00 0.00 55.36 52.96 1cks s GLN 49 Cb -0.20 -3.26 -0.02 0.00 -1.09 0.00 0.00 33.01 28.44 1cks s GLN 49 CO 0.15 -0.52 0.11 -0.65 -1.32 0.00 0.00 175.29 173.06 1cks s GLN 50 N 1.39 0.85 0.86 9.60 -0.21 -1.26 -5.13 119.66 125.76 1cks s GLN 50 Ca -0.00 -1.19 -0.09 0.00 0.02 0.00 0.00 55.36 54.09 1cks s GLN 50 Cb -0.18 0.29 0.17 0.00 1.00 0.00 0.00 33.01 34.28 1cks s GLN 50 CO 0.00 -0.25 1.18 -1.54 -2.12 0.00 0.00 175.29 172.57 1cks s SER 51 N -2.94 3.64 0.17 5.90 1.04 -1.26 -4.97 113.70 115.28 1cks s SER 51 Ca 0.12 -0.02 -0.33 0.00 0.48 0.00 0.00 55.95 56.20 1cks s SER 51 Cb 0.06 -0.16 -0.14 0.00 0.10 0.00 0.00 66.02 65.88 1cks s SER 51 CO -0.06 -2.36 1.55 -0.11 0.98 0.00 0.00 173.24 173.24 1cks n LEU 52 N -3.36 3.10 0.00 2.42 0.00 -1.26 -3.71 117.00 114.19 1cks n LEU 52 Ca 0.15 1.09 0.00 0.00 0.00 0.00 0.00 56.01 57.26 1cks n LEU 52 Cb 0.60 -1.43 0.00 0.00 0.00 0.00 0.00 43.42 42.59 1cks n LEU 52 CO 0.44 -0.32 0.00 0.61 0.00 0.00 0.00 177.39 178.12 1cks n GLY 53 N 3.20 0.39 3.74 -3.96 0.00 -1.26 -5.06 105.19 102.24 1cks n GLY 53 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1cks n GLY 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cks s TRP 54 N -2.00 3.36 -0.15 1.61 0.52 -1.24 -5.04 118.94 115.99 1cks s TRP 54 Ca 0.00 1.38 -0.00 0.00 0.02 0.00 0.00 56.10 57.49 1cks s TRP 54 Cb 0.00 -3.49 -0.01 0.00 -1.15 0.00 0.00 33.47 28.82 1cks s TRP 54 CO 0.00 -1.42 -0.13 0.08 0.02 0.00 0.00 176.95 175.50 1cks s VAL 55 N -0.14 2.95 -0.62 4.03 1.01 -1.26 -4.86 120.40 121.50 1cks s VAL 55 Ca 0.53 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 1cks s VAL 55 Cb -0.34 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 33.79 1cks s VAL 55 CO 0.38 0.51 1.57 -2.28 0.00 0.00 0.00 175.10 175.29 1cks s HIS 56 N 0.66 2.01 -0.45 5.22 2.46 -1.26 -4.85 115.29 119.08 1cks s HIS 56 Ca -0.07 0.47 0.13 0.00 0.47 0.00 0.00 55.06 56.06 1cks s HIS 56 Cb -0.15 -4.32 -0.16 0.00 -0.13 0.00 0.00 32.58 27.81 1cks s HIS 56 CO 0.02 -2.18 0.49 2.48 -2.47 0.00 0.00 174.74 173.08 1cks n TYR 57 N 10.82 0.00 -3.56 3.88 4.11 -1.26 -4.52 117.16 126.62 1cks n TYR 57 Ca 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.88 1cks n TYR 57 Cb 0.50 -0.09 -0.06 0.00 -0.00 0.00 0.00 39.34 39.69 1cks n TYR 57 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 1cks s MET 58 N -2.44 0.93 -0.02 -3.48 0.00 -1.26 -5.11 119.30 107.91 1cks s MET 58 Ca 0.02 0.51 -0.20 0.00 0.00 0.00 0.00 55.69 56.02 1cks s MET 58 Cb 0.10 0.44 -0.05 0.00 0.00 0.00 0.00 34.83 35.32 1cks s MET 58 CO 0.55 -0.23 0.57 0.42 0.00 0.00 0.00 175.02 176.33 1cks s ILE 59 N -0.61 4.96 0.24 10.11 -1.09 -1.26 -5.04 121.20 128.52 1cks s ILE 59 Ca -0.06 1.18 -0.30 0.00 -2.23 0.00 0.00 60.65 59.25 1cks s ILE 59 Cb -0.02 -3.90 -0.09 0.00 -1.58 0.00 0.00 42.46 36.87 1cks s ILE 59 CO 0.06 0.41 1.19 -2.28 -1.23 0.00 0.00 174.94 173.08 1cks s HIS 60 N -0.08 3.41 0.26 3.97 5.65 -1.26 -4.95 115.29 122.28 1cks s HIS 60 Ca 0.30 1.51 -0.30 0.00 0.25 0.00 0.00 55.06 56.81 1cks s HIS 60 Cb -0.18 -3.43 -0.13 0.00 -1.18 0.00 0.00 32.58 27.66 1cks s HIS 60 CO 0.16 -1.13 1.33 -0.85 -0.65 0.00 0.00 174.74 173.60 1cks n GLU 61 N 1.77 1.90 -2.57 2.88 0.28 -1.26 -4.93 120.64 118.71 1cks n GLU 61 Ca 0.02 0.67 -0.41 0.00 -0.16 0.00 0.00 57.16 57.28 1cks n GLU 61 Cb 0.44 -2.28 -0.04 0.00 1.43 0.00 0.00 31.44 31.00 1cks n GLU 61 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 1cks s PRO 62 N -0.77 4.57 0.17 3.44 0.02 -1.26 -5.02 135.00 136.15 1cks s PRO 62 Ca 0.65 1.63 -0.27 0.00 0.02 0.00 0.00 61.00 63.03 1cks s PRO 62 Cb -0.66 -3.34 -0.08 0.00 0.02 0.00 0.00 34.50 30.44 1cks s PRO 62 CO 0.53 0.01 0.83 -1.21 -0.33 0.00 0.00 177.00 176.83 1cks s GLU 63 N 0.25 4.65 1.10 5.54 0.41 -1.26 -5.06 118.70 124.33 1cks s GLU 63 Ca 0.51 1.26 -0.12 0.00 -0.41 0.00 0.00 54.97 56.21 1cks s GLU 63 Cb -0.27 -3.28 0.25 0.00 -1.78 0.00 0.00 34.13 29.05 1cks s GLU 63 CO 0.31 0.52 1.06 -2.14 -0.49 0.00 0.00 175.26 174.52 1cks s PRO 64 N -1.01 -0.41 -0.32 0.39 0.02 -1.26 -4.98 135.00 127.42 1cks s PRO 64 Ca 0.38 1.00 -0.03 0.00 0.02 0.00 0.00 61.00 62.37 1cks s PRO 64 Cb -0.24 -1.60 0.06 0.00 0.02 0.00 0.00 34.50 32.74 1cks s PRO 64 CO 0.28 -3.43 0.05 -1.01 -0.33 0.00 0.00 177.00 172.55 1cks s HIS 65 N -2.53 3.31 -0.17 6.54 3.76 -1.26 -5.05 115.29 119.89 1cks s HIS 65 Ca 0.68 -1.87 -0.06 0.00 -0.15 0.00 0.00 55.06 53.66 1cks s HIS 65 Cb -0.24 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1cks s HIS 65 CO 0.63 -0.81 0.04 0.42 -0.85 0.00 0.00 174.74 174.17 1cks s ILE 66 N 1.26 4.63 -0.14 0.60 1.01 -1.26 -5.09 121.20 122.22 1cks s ILE 66 Ca -0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 1cks s ILE 66 Cb -0.20 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1cks s ILE 66 CO -0.01 0.49 0.09 -0.76 0.00 0.00 0.00 174.94 174.75 1cks s LEU 67 N 0.19 4.07 -0.18 2.97 1.43 -1.26 -5.09 118.68 120.79 1cks s LEU 67 Ca 0.03 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1cks s LEU 67 Cb -0.12 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1cks s LEU 67 CO 0.01 0.32 0.06 -0.76 0.23 0.00 0.00 176.35 176.21 1cks s LEU 68 N -0.52 3.76 0.04 1.79 1.02 -1.26 -5.09 118.68 118.42 1cks s LEU 68 Ca 0.11 0.05 0.09 0.00 0.02 0.00 0.00 54.13 54.40 1cks s LEU 68 Cb -0.12 -1.95 -0.03 0.00 0.02 0.00 0.00 46.19 44.11 1cks s LEU 68 CO 0.02 0.16 -0.25 -0.36 0.02 0.00 0.00 176.35 175.94 1cks s PHE 69 N 0.45 2.36 0.03 0.29 0.08 -1.26 -5.14 117.98 114.78 1cks s PHE 69 Ca 0.03 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1cks s PHE 69 Cb -0.13 -1.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 1cks s PHE 69 CO 0.01 0.13 -0.07 0.50 -0.10 0.00 0.00 175.22 175.69 1cks s ARG 70 N -1.20 0.49 -0.06 0.44 3.52 -1.26 -5.16 118.95 115.72 1cks s ARG 70 Ca 0.12 -0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 55.02 1cks s ARG 70 Cb -0.10 -0.32 0.03 0.00 -1.56 0.00 0.00 34.95 32.99 1cks s ARG 70 CO 0.02 0.07 0.35 -0.98 -0.81 0.00 0.00 175.30 173.95 1cks s ARG 71 N -1.06 0.60 0.32 5.12 1.70 -1.26 -5.14 118.95 119.23 1cks s ARG 71 Ca -0.06 0.07 -0.29 0.00 -0.47 0.00 0.00 55.73 54.98 1cks s ARG 71 Cb -0.07 0.27 -0.12 0.00 -0.57 0.00 0.00 34.95 34.46 1cks s ARG 71 CO 0.00 -0.14 1.41 -0.35 -1.08 0.00 0.00 175.30 175.13 1cks n PRO 72 N 1.81 2.32 -2.22 3.89 -0.04 -1.26 -5.01 135.00 134.50 1cks n PRO 72 Ca -0.19 0.82 -0.34 0.00 -0.04 0.00 0.00 63.50 63.76 1cks n PRO 72 Cb 0.57 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1cks n PRO 72 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1cks s LEU 73 N -0.90 3.64 0.39 1.53 1.43 -1.26 -5.01 118.68 118.50 1cks s LEU 73 Ca 0.59 1.93 -0.25 0.00 -1.03 0.00 0.00 54.13 55.37 1cks s LEU 73 Cb -0.55 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.00 1cks s LEU 73 CO 0.58 -1.09 0.88 -2.65 0.23 0.00 0.00 176.35 174.30 1cks n PRO 74 N -1.59 1.11 -0.27 1.29 -0.02 -1.26 -4.84 135.00 129.42 1cks n PRO 74 Ca 0.10 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 62.05 1cks n PRO 74 Cb 0.52 -1.84 0.23 0.00 -0.02 0.00 0.00 33.50 32.40 1cks n PRO 74 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1cks h LYS 75 N 1.43 0.37 0.00 -0.52 1.79 -1.97 0.01 116.57 117.68 1cks h LYS 75 Ca -0.42 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1cks h LYS 75 Cb 1.36 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1cks h LYS 75 CO 0.56 0.24 0.00 -0.40 -1.08 0.00 0.00 179.45 178.78 1cks n ASP 76 N -5.06 0.00 -0.14 0.86 5.68 -1.26 -1.68 116.55 114.94 1cks n ASP 76 Ca 0.17 -0.38 0.07 0.00 -0.50 0.00 0.00 54.79 54.15 1cks n ASP 76 Cb 0.51 -0.12 -0.05 0.00 -1.14 0.00 0.00 41.12 40.33 1cks n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cks n GLN 77 N -1.12 1.99 -1.91 0.11 6.02 -0.02 -5.00 117.38 117.45 1cks n GLN 77 Ca 0.13 -0.32 -0.31 0.00 -0.01 0.00 0.00 57.00 56.49 1cks n GLN 77 Cb 0.11 -1.22 0.01 0.00 1.02 0.00 0.00 30.24 30.16 1cks n GLN 77 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1cks s GLN 78 N -2.16 3.61 0.00 -1.09 -0.21 -0.68 -5.00 119.66 114.13 1cks s GLN 78 Ca 0.08 0.77 0.00 0.00 0.02 0.00 0.00 55.36 56.24 1cks s GLN 78 Cb 0.12 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 32.04 1cks s GLN 78 CO 0.51 -0.56 0.18 1.63 -2.12 0.00 0.00 175.29 174.93