#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz5 n GLY 2 N 0.00 -0.54 3.20 3.03 0.00 -1.26 -4.98 105.19 104.64 2kz5 n GLY 2 Ca 0.00 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 2kz5 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kz5 s HIS 3 N -2.67 3.38 0.69 1.61 0.09 -1.26 -5.10 115.29 112.03 2kz5 s HIS 3 Ca 0.00 -1.88 -0.12 0.00 -0.00 0.00 0.00 55.06 53.07 2kz5 s HIS 3 Cb 0.00 -2.65 0.17 0.00 -0.00 0.00 0.00 32.58 30.10 2kz5 s HIS 3 CO 0.00 -0.85 0.71 -2.39 -0.00 0.00 0.00 174.74 172.21 2kz5 n HIS 4 N 4.71 -3.69 -3.13 1.40 -0.00 -1.26 -5.03 115.22 108.22 2kz5 n HIS 4 Ca -0.09 -0.64 -0.37 0.00 -0.00 0.00 0.00 57.72 56.63 2kz5 n HIS 4 Cb 0.43 -0.67 -0.06 0.00 -0.00 0.00 0.00 29.99 29.69 2kz5 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kz5 s HIS 5 N -2.38 3.71 -0.12 -1.40 0.09 -1.26 -5.07 115.29 108.85 2kz5 s HIS 5 Ca 0.44 1.38 -0.03 0.00 -0.00 0.00 0.00 55.06 56.85 2kz5 s HIS 5 Cb -0.03 -2.60 0.04 0.00 -0.00 0.00 0.00 32.58 29.99 2kz5 s HIS 5 CO 0.33 0.41 0.04 -3.38 -0.00 0.00 0.00 174.74 172.14 2kz5 s HIS 6 N -1.40 0.53 -0.11 1.40 -0.00 -1.26 -5.14 115.29 109.31 2kz5 s HIS 6 Ca 0.39 -0.30 -0.11 0.00 -0.00 0.00 0.00 55.06 55.05 2kz5 s HIS 6 Cb -0.18 -0.77 -0.05 0.00 -0.00 0.00 0.00 32.58 31.58 2kz5 s HIS 6 CO 0.21 -0.42 0.24 -1.01 -0.00 0.00 0.00 174.74 173.76 2kz5 s HIS 7 N 2.02 3.58 0.07 0.38 3.76 -1.26 -5.10 115.29 118.74 2kz5 s HIS 7 Ca 0.03 0.63 0.03 0.00 -0.15 0.00 0.00 55.06 55.60 2kz5 s HIS 7 Cb -0.14 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 2kz5 s HIS 7 CO -0.06 0.55 -0.09 -1.01 -0.85 0.00 0.00 174.74 173.28 2kz5 s HIS 8 N -0.55 0.91 0.40 1.40 0.09 -1.26 -5.14 115.29 111.13 2kz5 s HIS 8 Ca 0.17 -0.60 -0.26 0.00 -0.00 0.00 0.00 55.06 54.37 2kz5 s HIS 8 Cb -0.13 -0.52 -0.09 0.00 -0.00 0.00 0.00 32.58 31.84 2kz5 s HIS 8 CO 0.05 -0.04 1.32 -1.12 -0.00 0.00 0.00 174.74 174.95 2kz5 s SER 9 N -2.06 6.34 0.12 1.40 0.01 -1.26 -4.91 113.70 113.33 2kz5 s SER 9 Ca -0.01 2.69 -0.31 0.00 1.31 0.00 0.00 55.95 59.63 2kz5 s SER 9 Cb -0.06 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 2kz5 s SER 9 CO -0.00 -0.83 1.84 -2.28 0.41 0.00 0.00 173.24 172.37 2kz5 s HIS 10 N -1.24 2.11 -1.23 2.43 5.65 -1.26 -1.61 115.29 120.14 2kz5 s HIS 10 Ca 0.56 -0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.83 2kz5 s HIS 10 Cb -0.39 -4.18 0.00 0.00 -1.18 0.00 0.00 32.58 26.83 2kz5 s HIS 10 CO 0.50 -4.90 0.00 -1.33 -0.65 0.00 0.00 174.74 168.36 2kz5 n MET 11 N 5.75 -0.84 0.00 2.88 0.00 -1.26 -4.89 117.12 118.76 2kz5 n MET 11 Ca 0.18 0.88 0.00 0.00 0.00 0.00 0.00 57.70 58.76 2kz5 n MET 11 Cb 0.38 -4.90 0.00 0.00 0.00 0.00 0.00 33.22 28.70 2kz5 n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kz5 n ALA 12 N 0.92 2.50 -3.92 3.04 0.00 -0.63 -4.63 120.51 117.78 2kz5 n ALA 12 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 2kz5 n ALA 12 Cb 0.41 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 2kz5 n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kz5 s LYS 13 N -0.47 1.69 0.07 0.00 1.02 -1.26 -5.00 119.74 115.79 2kz5 s LYS 13 Ca 0.00 -2.27 -0.00 0.00 0.02 0.00 0.00 55.97 53.71 2kz5 s LYS 13 Cb 0.00 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2kz5 s LYS 13 CO 0.00 -1.07 0.10 -0.35 -0.92 0.00 0.00 175.35 173.11 2kz5 n PRO 14 N 3.54 0.49 -4.55 -1.68 -0.04 -1.26 -5.13 135.00 126.37 2kz5 n PRO 14 Ca 0.05 -0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.01 2kz5 n PRO 14 Cb 0.35 -0.07 -0.17 0.00 -0.04 0.00 0.00 33.50 33.58 2kz5 n PRO 14 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2kz5 s THR 15 N -0.18 1.11 0.30 0.52 -1.32 -1.26 -5.15 115.64 109.66 2kz5 s THR 15 Ca 0.06 -0.46 -0.11 0.00 -1.21 0.00 0.00 61.69 59.97 2kz5 s THR 15 Cb -0.00 -1.02 -0.08 0.00 -1.51 0.00 0.00 72.50 69.89 2kz5 s THR 15 CO 0.04 0.35 0.66 0.00 -2.21 0.00 0.00 174.62 173.46 2kz5 s ALA 16 N 0.70 3.44 0.18 11.08 0.00 -1.26 -5.09 121.76 130.81 2kz5 s ALA 16 Ca -0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 2kz5 s ALA 16 Cb -0.16 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.38 2kz5 s ALA 16 CO 0.03 0.33 0.45 -0.98 0.00 0.00 0.00 175.76 175.59 2kz5 s ARG 17 N -3.12 1.30 0.00 0.00 1.70 -1.26 -5.13 118.95 112.44 2kz5 s ARG 17 Ca 0.50 -0.94 0.00 0.00 -0.47 0.00 0.00 55.73 54.83 2kz5 s ARG 17 Cb -0.11 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.75 2kz5 s ARG 17 CO 0.22 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.32 2kz5 n GLY 18 N -0.30 0.57 2.23 3.88 0.00 -1.26 -5.04 105.19 105.28 2kz5 n GLY 18 Ca -0.10 -0.95 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 2kz5 n GLY 18 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kz5 n GLU 19 N 0.00 -2.59 -0.07 1.61 4.07 -1.26 -4.97 120.64 117.43 2kz5 n GLU 19 Ca 0.00 2.18 0.11 0.00 -0.06 0.00 0.00 57.16 59.39 2kz5 n GLU 19 Cb 0.00 -3.69 0.13 0.00 -0.06 0.00 0.00 31.44 27.82 2kz5 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kz5 n ALA 20 N 0.77 2.44 -2.55 4.31 0.00 -1.26 -5.02 120.51 119.19 2kz5 n ALA 20 Ca -0.14 -0.79 -0.00 0.00 0.00 0.00 0.00 53.44 52.50 2kz5 n ALA 20 Cb 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2kz5 n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kz5 n GLY 21 N 1.27 -0.95 3.63 0.00 0.00 -1.26 -5.08 105.19 102.80 2kz5 n GLY 21 Ca 0.15 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 2kz5 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kz5 s SER 22 N -2.64 0.56 0.02 1.61 0.15 -1.26 -5.07 113.70 107.08 2kz5 s SER 22 Ca 0.01 -1.36 -0.16 0.00 0.70 0.00 0.00 55.95 55.14 2kz5 s SER 22 Cb -0.00 0.76 -0.35 0.00 -1.71 0.00 0.00 66.02 64.71 2kz5 s SER 22 CO 0.51 -1.49 0.97 -0.09 1.20 0.00 0.00 173.24 174.34 2kz5 h ARG 23 N 2.05 0.54 -0.13 5.44 2.43 -2.04 -3.34 114.38 119.32 2kz5 h ARG 23 Ca -0.30 -0.91 -0.11 0.00 -0.81 0.00 0.00 59.98 57.85 2kz5 h ARG 23 Cb 1.24 0.34 -0.01 0.00 -0.42 0.00 0.00 29.97 31.12 2kz5 h ARG 23 CO 0.40 1.44 -0.39 -0.44 -1.51 0.00 0.00 179.97 179.46 2kz5 h ASP 24 N 0.15 0.29 -1.02 -3.80 5.19 -2.03 -3.18 116.42 112.01 2kz5 h ASP 24 Ca -0.27 -0.12 0.26 0.00 -0.62 0.00 0.00 57.03 56.28 2kz5 h ASP 24 Cb 2.17 -0.08 -0.11 0.00 0.18 0.00 0.00 39.33 41.49 2kz5 h ASP 24 CO 0.27 0.66 0.63 -0.33 -3.12 0.00 0.00 179.24 177.34 2kz5 h GLU 25 N 0.23 0.49 -0.92 3.56 4.39 -1.99 -2.04 114.58 118.31 2kz5 h GLU 25 Ca 0.02 -0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.89 2kz5 h GLU 25 Cb 0.80 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.27 2kz5 h GLU 25 CO 0.06 0.33 0.60 0.00 -1.16 0.00 0.00 179.01 178.84 2kz5 h ARG 26 N 0.51 0.49 0.10 2.33 3.08 -1.76 0.42 114.38 119.55 2kz5 h ARG 26 Ca 0.63 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 60.38 2kz5 h ARG 26 Cb 1.35 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 31.30 2kz5 h ARG 26 CO -0.41 0.32 -1.18 0.00 -1.07 0.00 0.00 179.97 177.63 2kz5 h ARG 27 N 0.50 0.47 0.08 0.04 -0.00 -1.61 -3.04 114.38 110.83 2kz5 h ARG 27 Ca 0.48 -0.63 -0.00 0.00 -0.50 0.00 0.00 59.98 59.32 2kz5 h ARG 27 Cb 1.06 0.21 0.00 0.00 0.00 0.00 0.00 29.97 31.24 2kz5 h ARG 27 CO -0.21 1.27 -0.04 0.00 0.00 0.00 0.00 179.97 180.98 2kz5 h ALA 28 N 0.49 -0.11 0.00 0.04 0.00 -0.99 -2.12 119.26 116.57 2kz5 h ALA 28 Ca -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2kz5 h ALA 28 Cb 1.85 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2kz5 h ALA 28 CO 0.21 -0.50 -0.19 1.37 0.00 0.00 0.00 179.25 180.14 2kz5 h LEU 29 N -0.24 0.00 0.00 0.00 8.10 -1.34 -0.46 115.31 121.36 2kz5 h LEU 29 Ca -0.01 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.90 2kz5 h LEU 29 Cb 0.21 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.41 2kz5 h LEU 29 CO 0.02 0.19 -0.61 0.00 -4.11 0.00 0.00 178.44 173.93 2kz5 h ALA 30 N 1.81 0.72 -0.43 0.17 0.00 -1.40 -3.30 119.26 116.83 2kz5 h ALA 30 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kz5 h ALA 30 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2kz5 h ALA 30 CO 0.03 0.47 0.00 -1.33 0.00 0.00 0.00 179.25 178.42 2kz5 n MET 31 N -3.08 2.81 -3.07 0.00 2.81 -0.81 -5.02 117.12 110.76 2kz5 n MET 31 Ca 0.00 -2.18 -0.04 0.00 -1.81 0.00 0.00 57.70 53.68 2kz5 n MET 31 Cb 0.69 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.87 2kz5 n MET 31 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kz5 n LYS 32 N 0.77 -1.56 -3.47 0.03 5.02 -0.87 -4.89 118.16 113.19 2kz5 n LYS 32 Ca 0.14 1.58 -0.43 0.00 -2.02 0.00 0.00 58.31 57.59 2kz5 n LYS 32 Cb 0.47 -5.48 -0.09 0.00 -0.02 0.00 0.00 35.03 29.91 2kz5 n LYS 32 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kz5 s ILE 33 N -2.89 4.90 -0.94 -0.18 -1.09 -0.24 -4.97 121.20 115.79 2kz5 s ILE 33 Ca 0.06 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 2kz5 s ILE 33 Cb -0.01 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 2kz5 s ILE 33 CO 0.77 -0.51 0.45 -0.81 -1.23 0.00 0.00 174.94 173.61 2kz5 n PRO 34 N 5.10 0.86 -3.79 2.79 -0.04 -1.26 -4.72 135.00 133.94 2kz5 n PRO 34 Ca -0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 2kz5 n PRO 34 Cb 0.44 -1.41 -0.12 0.00 -0.04 0.00 0.00 33.50 32.38 2kz5 n PRO 34 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2kz5 s PHE 35 N -0.93 -0.27 0.40 0.54 -0.12 -1.26 -5.15 117.98 111.19 2kz5 s PHE 35 Ca 0.00 0.65 -0.27 0.00 -0.05 0.00 0.00 56.93 57.26 2kz5 s PHE 35 Cb 0.00 0.09 -0.09 0.00 -0.63 0.00 0.00 43.02 42.38 2kz5 s PHE 35 CO 0.00 -0.13 1.41 -1.25 -0.05 0.00 0.00 175.22 175.19 2kz5 s PRO 36 N 0.18 3.96 0.44 1.99 0.04 -1.26 -4.89 135.00 135.47 2kz5 s PRO 36 Ca -0.00 2.39 0.18 0.00 0.04 0.00 0.00 61.00 63.61 2kz5 s PRO 36 Cb -0.02 -2.83 1.12 0.00 0.04 0.00 0.00 34.50 32.81 2kz5 s PRO 36 CO -0.00 -0.59 1.92 1.79 0.04 0.00 0.00 177.00 180.16 2kz5 h THR 37 N 2.64 0.76 -0.52 1.26 1.35 -1.98 0.01 112.91 116.43 2kz5 h THR 37 Ca -0.50 -0.12 0.10 0.00 -0.55 0.00 0.00 66.41 65.34 2kz5 h THR 37 Cb 1.25 0.38 -0.09 0.00 -1.73 0.00 0.00 68.15 67.97 2kz5 h THR 37 CO 0.63 0.06 0.00 0.44 -0.25 0.00 0.00 175.52 176.41 2kz5 h ASP 38 N 0.34 -0.21 -0.44 5.36 5.19 -2.00 -1.94 116.42 122.73 2kz5 h ASP 38 Ca 0.37 0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.91 2kz5 h ASP 38 Cb 0.96 0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 2kz5 h ASP 38 CO -0.11 -0.07 0.28 0.50 -3.12 0.00 0.00 179.24 176.72 2kz5 h LYS 39 N 0.12 0.56 -0.91 3.56 3.64 -1.35 0.75 116.57 122.94 2kz5 h LYS 39 Ca 0.26 -0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.79 2kz5 h LYS 39 Cb 0.40 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 2kz5 h LYS 39 CO -0.43 0.37 0.59 0.82 -2.27 0.00 0.00 179.45 178.53 2kz5 h ILE 40 N 0.58 0.72 0.04 2.00 2.04 -1.17 -1.99 117.51 119.73 2kz5 h ILE 40 Ca 0.16 -0.18 -0.31 0.00 1.00 0.00 0.00 64.86 65.53 2kz5 h ILE 40 Cb -0.06 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.13 2kz5 h ILE 40 CO -0.04 0.10 -1.71 0.52 0.00 0.00 0.00 178.15 177.02 2kz5 n VAL 41 N -4.56 1.61 0.65 1.67 0.31 -0.88 -4.45 118.33 112.68 2kz5 n VAL 41 Ca 0.19 -0.30 0.13 0.00 -0.01 0.00 0.00 64.34 64.35 2kz5 n VAL 41 Cb 0.62 -1.89 0.45 0.00 -0.91 0.00 0.00 33.84 32.10 2kz5 n VAL 41 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2kz5 n ASN 42 N -4.04 0.65 -4.76 4.52 3.02 0.22 -4.84 115.26 110.02 2kz5 n ASN 42 Ca -0.35 0.58 -0.38 0.00 -0.03 0.00 0.00 54.58 54.39 2kz5 n ASN 42 Cb 0.84 -0.74 0.01 0.00 -0.61 0.00 0.00 39.78 39.28 2kz5 n ASN 42 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kz5 s LEU 43 N -4.24 3.99 0.50 3.41 1.43 -0.76 -5.01 118.68 118.00 2kz5 s LEU 43 Ca 0.10 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 55.53 2kz5 s LEU 43 Cb 0.13 -4.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 2kz5 s LEU 43 CO 0.55 -1.15 1.23 -2.16 0.23 0.00 0.00 176.35 175.05 2kz5 s PRO 44 N -2.69 3.46 0.34 1.29 0.04 -1.26 -4.80 135.00 131.38 2kz5 s PRO 44 Ca 0.65 1.93 0.12 0.00 0.04 0.00 0.00 61.00 63.74 2kz5 s PRO 44 Cb -0.35 -2.30 0.94 0.00 0.04 0.00 0.00 34.50 32.83 2kz5 s PRO 44 CO 0.42 -0.84 1.75 -0.24 0.04 0.00 0.00 177.00 178.14 2kz5 h VAL 45 N 1.61 0.56 0.21 -0.36 3.04 -1.96 -0.63 116.25 118.72 2kz5 h VAL 45 Ca -0.50 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 2kz5 h VAL 45 Cb 1.27 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2kz5 h VAL 45 CO 0.59 0.10 -0.10 0.44 -1.01 0.00 0.00 177.57 177.58 2kz5 h ASP 46 N 0.55 -0.24 0.27 3.17 3.32 -2.00 -2.17 116.42 119.32 2kz5 h ASP 46 Ca 0.61 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 2kz5 h ASP 46 Cb 1.26 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 2kz5 h ASP 46 CO -0.39 0.05 -0.07 0.44 -1.72 0.00 0.00 179.24 177.55 2kz5 h ASP 47 N -0.54 0.00 0.04 6.45 5.19 -1.66 -1.29 116.42 124.62 2kz5 h ASP 47 Ca -0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2kz5 h ASP 47 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 2kz5 h ASP 47 CO 0.05 0.07 -0.02 0.15 -3.12 0.00 0.00 179.24 176.36 2kz5 h PHE 48 N 0.00 -0.05 -0.58 4.55 3.57 -0.90 -0.91 116.94 122.61 2kz5 h PHE 48 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2kz5 h PHE 48 Cb 0.22 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2kz5 h PHE 48 CO 0.00 0.24 0.26 -0.91 -2.23 0.00 0.00 178.31 175.67 2kz5 h ASN 49 N -0.35 0.75 -0.29 0.41 2.35 -0.75 -2.42 115.58 115.28 2kz5 h ASN 49 Ca -0.01 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2kz5 h ASN 49 Cb 0.32 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2kz5 h ASN 49 CO 0.01 0.66 0.18 -0.33 -1.65 0.00 0.00 177.43 176.30 2kz5 h GLU 50 N 0.83 0.40 -0.37 0.81 4.39 -1.21 -2.18 114.58 117.24 2kz5 h GLU 50 Ca 0.20 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.95 2kz5 h GLU 50 Cb 0.12 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 28.60 2kz5 h GLU 50 CO -0.02 0.30 -0.24 1.25 -1.16 0.00 0.00 179.01 179.13 2kz5 h LEU 51 N 0.38 -0.80 -1.63 1.33 5.85 -0.67 0.32 115.31 120.09 2kz5 h LEU 51 Ca 0.11 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 2kz5 h LEU 51 Cb -0.00 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2kz5 h LEU 51 CO -0.02 -0.27 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.56 2kz5 h LEU 52 N -0.19 0.00 0.00 2.25 3.38 -1.46 -1.98 115.31 117.31 2kz5 h LEU 52 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2kz5 h LEU 52 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2kz5 h LEU 52 CO -0.48 0.18 -0.48 0.00 0.09 0.00 0.00 178.44 177.75 2kz5 n ALA 53 N -2.29 2.89 -0.11 1.53 0.00 0.04 -4.26 120.51 118.31 2kz5 n ALA 53 Ca -0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 2kz5 n ALA 53 Cb 0.31 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.42 2kz5 n ALA 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kz5 n ARG 54 N -2.00 0.60 -2.68 0.00 1.74 0.91 -4.95 116.66 110.28 2kz5 n ARG 54 Ca 0.04 0.40 -0.41 0.00 -0.77 0.00 0.00 57.85 57.11 2kz5 n ARG 54 Cb 0.42 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 2kz5 n ARG 54 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2kz5 s TYR 55 N -2.45 3.81 0.00 -1.55 1.51 -0.79 -4.94 117.35 112.94 2kz5 s TYR 55 Ca -0.32 1.79 -0.04 0.00 -1.01 0.00 0.00 57.07 57.49 2kz5 s TYR 55 Cb 0.09 -3.09 -0.18 0.00 -0.11 0.00 0.00 41.96 38.67 2kz5 s TYR 55 CO 0.58 0.08 2.94 -0.35 -1.11 0.00 0.00 175.55 177.69 2kz5 n PRO 56 N 2.24 1.58 -2.11 -1.71 -0.04 -1.26 -4.88 135.00 128.82 2kz5 n PRO 56 Ca 0.01 -0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 62.45 2kz5 n PRO 56 Cb 0.48 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 2kz5 n PRO 56 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kz5 s LEU 57 N 0.00 3.59 0.59 1.53 1.43 -1.26 -5.05 118.68 119.51 2kz5 s LEU 57 Ca 0.46 1.98 -0.10 0.00 -1.03 0.00 0.00 54.13 55.43 2kz5 s LEU 57 Cb 0.22 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 2kz5 s LEU 57 CO 0.00 -1.24 0.98 0.42 0.23 0.00 0.00 176.35 176.74 2kz5 s THR 58 N -2.17 4.74 0.21 5.49 -4.23 -1.26 -4.84 115.64 113.58 2kz5 s THR 58 Ca 0.67 0.77 -0.11 0.00 -1.18 0.00 0.00 61.69 61.85 2kz5 s THR 58 Cb -0.19 -3.86 0.20 0.00 1.34 0.00 0.00 72.50 69.99 2kz5 s THR 58 CO 0.33 -1.06 1.66 -0.33 -0.54 0.00 0.00 174.62 174.67 2kz5 h GLU 59 N -0.14 0.11 -0.74 3.99 5.08 -2.00 0.27 114.58 121.15 2kz5 h GLU 59 Ca -0.45 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.06 2kz5 h GLU 59 Cb 1.19 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 2kz5 h GLU 59 CO 0.62 0.07 0.50 0.77 -1.00 0.00 0.00 179.01 179.97 2kz5 h SER 60 N 0.11 0.33 0.00 1.42 0.02 -2.00 -1.59 113.55 111.84 2kz5 h SER 60 Ca 0.32 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2kz5 h SER 60 Cb 0.52 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.03 2kz5 h SER 60 CO -0.54 0.17 -0.41 1.56 -1.14 0.00 0.00 176.83 176.47 2kz5 h GLN 61 N 0.35 0.27 -0.35 3.45 4.20 -0.84 -2.58 115.11 119.60 2kz5 h GLN 61 Ca 0.36 -0.29 0.02 0.00 0.06 0.00 0.00 58.65 58.80 2kz5 h GLN 61 Cb 0.92 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 2kz5 h GLN 61 CO -0.10 1.01 0.18 -0.07 -0.67 0.00 0.00 178.83 179.18 2kz5 h LEU 62 N -0.34 0.28 -1.00 1.46 4.07 -0.96 -0.59 115.31 118.23 2kz5 h LEU 62 Ca -0.05 0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.01 2kz5 h LEU 62 Cb 1.15 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.77 2kz5 h LEU 62 CO 0.08 0.21 0.63 0.00 -1.08 0.00 0.00 178.44 178.28 2kz5 h ALA 63 N 1.18 1.44 0.57 1.53 0.00 -1.39 -1.28 119.26 121.31 2kz5 h ALA 63 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2kz5 h ALA 63 Cb 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2kz5 h ALA 63 CO -0.09 0.32 -0.28 1.25 0.00 0.00 0.00 179.25 180.46 2kz5 h LEU 64 N 1.07 -0.65 -0.71 0.00 5.85 -0.97 -2.66 115.31 117.25 2kz5 h LEU 64 Ca 0.46 -0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.26 2kz5 h LEU 64 Cb 0.33 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 2kz5 h LEU 64 CO -0.22 -0.37 0.32 0.58 -0.34 0.00 0.00 178.44 178.41 2kz5 h VAL 65 N -0.91 0.78 -0.63 1.05 2.07 -0.82 0.38 116.25 118.16 2kz5 h VAL 65 Ca -0.08 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2kz5 h VAL 65 Cb 0.64 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 2kz5 h VAL 65 CO 0.13 0.10 0.42 0.03 0.02 0.00 0.00 177.57 178.27 2kz5 h ARG 66 N 0.53 0.71 0.00 1.57 3.08 -1.26 -2.20 114.38 116.81 2kz5 h ARG 66 Ca 0.36 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 60.14 2kz5 h ARG 66 Cb 0.45 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2kz5 h ARG 66 CO -0.31 0.47 -1.16 0.22 -1.07 0.00 0.00 179.97 178.12 2kz5 h ASP 67 N 0.73 0.01 -0.65 7.04 3.58 -0.52 -3.26 116.42 123.34 2kz5 h ASP 67 Ca 0.26 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.68 2kz5 h ASP 67 Cb 0.11 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2kz5 h ASP 67 CO -0.07 1.01 0.32 0.40 -2.88 0.00 0.00 179.24 178.01 2kz5 h ILE 68 N 0.00 1.22 -0.45 2.25 2.04 0.17 -2.13 117.51 120.61 2kz5 h ILE 68 Ca -0.07 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2kz5 h ILE 68 Cb 1.83 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2kz5 h ILE 68 CO 0.12 0.26 0.20 -0.09 0.00 0.00 0.00 178.15 178.64 2kz5 h ARG 69 N 0.91 0.63 0.91 2.37 2.43 -1.51 0.32 114.38 120.43 2kz5 h ARG 69 Ca 0.23 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2kz5 h ARG 69 Cb 0.12 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2kz5 h ARG 69 CO -0.03 0.50 -0.44 -0.09 -1.51 0.00 0.00 179.97 178.40 2kz5 h ARG 70 N 0.63 -1.18 -0.51 0.20 9.65 -1.45 -1.19 114.38 120.52 2kz5 h ARG 70 Ca 0.16 0.08 -0.10 0.00 -1.10 0.00 0.00 59.98 59.02 2kz5 h ARG 70 Cb 0.09 0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 2kz5 h ARG 70 CO -0.02 -0.79 -0.07 0.00 2.80 0.00 0.00 179.97 181.89 2kz5 h ARG 71 N -1.32 0.95 -0.68 0.20 3.08 -1.32 -0.87 114.38 114.42 2kz5 h ARG 71 Ca -0.13 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 59.60 2kz5 h ARG 71 Cb 0.94 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 2kz5 h ARG 71 CO 0.21 1.00 0.44 0.78 -1.07 0.00 0.00 179.97 181.33 2kz5 h GLY 72 N 0.82 0.96 2.00 0.04 0.00 -0.42 -1.05 103.07 105.42 2kz5 h GLY 72 Ca 0.14 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2kz5 h GLY 72 CO 0.04 0.31 -0.55 1.70 0.00 0.00 0.00 176.54 178.05 2kz5 h LYS 73 N 0.88 0.00 -0.14 4.80 3.64 -1.18 -3.21 116.57 121.37 2kz5 h LYS 73 Ca 0.26 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2kz5 h LYS 73 Cb -0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kz5 h LYS 73 CO -0.08 0.55 0.05 -0.97 -2.27 0.00 0.00 179.45 176.73 2kz5 h ASN 74 N 0.00 0.20 0.34 4.20 -1.24 -0.62 0.19 115.58 118.65 2kz5 h ASN 74 Ca -0.01 -0.20 -0.05 0.00 0.71 0.00 0.00 56.30 56.76 2kz5 h ASN 74 Cb 1.40 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.39 2kz5 h ASN 74 CO 0.07 0.34 -0.24 0.07 -1.29 0.00 0.00 177.43 176.38 2kz5 h LYS 75 N 0.05 0.00 0.04 6.67 2.10 -1.29 -3.10 116.57 121.04 2kz5 h LYS 75 Ca 0.04 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.32 2kz5 h LYS 75 Cb 0.21 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.49 2kz5 h LYS 75 CO -0.00 0.24 -2.21 1.55 -2.00 0.00 0.00 179.45 177.03 2kz5 n VAL 76 N -4.01 1.59 0.90 0.07 3.14 -1.17 -4.37 118.33 114.50 2kz5 n VAL 76 Ca -0.02 -0.51 0.09 0.00 -2.96 0.00 0.00 64.34 60.94 2kz5 n VAL 76 Cb 0.32 -1.66 0.47 0.00 -1.06 0.00 0.00 33.84 31.90 2kz5 n VAL 76 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kz5 n ALA 77 N -3.36 2.01 0.08 1.55 0.00 0.66 -2.81 120.51 118.64 2kz5 n ALA 77 Ca -0.42 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 2kz5 n ALA 77 Cb 0.96 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 2kz5 n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kz5 h ALA 78 N 2.90 0.42 0.05 0.00 0.00 -1.74 -3.33 119.26 117.56 2kz5 h ALA 78 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 54.91 53.88 2kz5 h ALA 78 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kz5 h ALA 78 CO 0.00 1.02 -1.04 -0.56 0.00 0.00 0.00 179.25 178.67 2kz5 h GLN 79 N 0.06 0.22 -0.49 0.00 -0.00 -1.78 -3.26 115.11 109.86 2kz5 h GLN 79 Ca -0.05 -0.30 0.00 0.00 -0.00 0.00 0.00 58.65 58.30 2kz5 h GLN 79 Cb 1.64 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 29.23 2kz5 h GLN 79 CO 0.14 1.08 0.00 0.27 -0.00 0.00 0.00 178.83 180.32 2kz5 n ASN 80 N -3.57 2.19 -4.89 0.06 6.94 -1.25 -4.90 115.26 109.83 2kz5 n ASN 80 Ca -0.05 -2.14 -0.29 0.00 -0.02 0.00 0.00 54.58 52.08 2kz5 n ASN 80 Cb 0.91 -0.34 -0.03 0.00 -2.36 0.00 0.00 39.78 37.96 2kz5 n ASN 80 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2kz5 s TYR 81 N -1.64 3.47 -0.04 -2.53 5.04 -1.23 -5.06 117.35 115.37 2kz5 s TYR 81 Ca 0.22 0.83 -0.00 0.00 -2.44 0.00 0.00 57.07 55.68 2kz5 s TYR 81 Cb 0.14 -2.26 -0.00 0.00 0.35 0.00 0.00 41.96 40.19 2kz5 s TYR 81 CO 0.12 0.05 0.02 -0.09 -1.34 0.00 0.00 175.55 174.32 2kz5 h ARG 82 N 1.53 -0.01 -6.30 4.97 9.65 -1.91 -3.44 114.38 118.86 2kz5 h ARG 82 Ca -0.47 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 57.84 2kz5 h ARG 82 Cb 1.19 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.74 2kz5 h ARG 82 CO 0.65 -0.01 1.06 0.15 2.80 0.00 0.00 179.97 184.62 2kz5 s LYS 83 N -1.27 3.87 0.13 0.20 -0.14 -1.26 -5.00 119.74 116.27 2kz5 s LYS 83 Ca -0.00 1.53 -0.08 0.00 -1.36 0.00 0.00 55.97 56.05 2kz5 s LYS 83 Cb 0.00 -3.97 -0.06 0.00 -1.68 0.00 0.00 37.83 32.13 2kz5 s LYS 83 CO 0.00 -1.19 0.42 0.50 -0.76 0.00 0.00 175.35 174.32 2kz5 s ARG 84 N 4.42 3.73 -1.18 1.68 6.06 -1.26 -4.99 118.95 127.41 2kz5 s ARG 84 Ca 0.65 0.12 -0.23 0.00 -2.50 0.00 0.00 55.73 53.77 2kz5 s ARG 84 Cb -0.22 -2.89 -0.11 0.00 0.06 0.00 0.00 34.95 31.79 2kz5 s ARG 84 CO 0.26 0.49 1.96 0.15 -2.50 0.00 0.00 175.30 175.66 2kz5 s LYS 85 N -2.29 2.33 0.90 5.12 -0.14 -1.26 -4.94 119.74 119.45 2kz5 s LYS 85 Ca 0.38 -1.09 -0.13 0.00 -1.36 0.00 0.00 55.97 53.77 2kz5 s LYS 85 Cb -0.13 -5.21 0.14 0.00 -1.68 0.00 0.00 37.83 30.95 2kz5 s LYS 85 CO 0.21 -4.19 1.19 -0.48 -0.76 0.00 0.00 175.35 171.32 2kz5 s LEU 86 N 11.80 2.25 0.32 3.17 0.05 -1.26 -5.10 118.68 129.91 2kz5 s LEU 86 Ca 0.70 0.73 0.05 0.00 0.05 0.00 0.00 54.13 55.66 2kz5 s LEU 86 Cb -0.01 -3.01 -0.03 0.00 -2.05 0.00 0.00 46.19 41.08 2kz5 s LEU 86 CO 0.14 -2.46 0.22 -1.83 -0.55 0.00 0.00 176.35 171.87 2kz5 s GLU 87 N -5.53 1.67 -0.26 1.48 1.03 -1.26 -5.16 118.70 110.67 2kz5 s GLU 87 Ca 0.66 -1.96 -0.06 0.00 0.03 0.00 0.00 54.97 53.64 2kz5 s GLU 87 Cb -0.11 0.16 0.13 0.00 -0.80 0.00 0.00 34.13 33.52 2kz5 s GLU 87 CO 0.52 -0.57 0.52 -0.08 -1.33 0.00 0.00 175.26 174.32 2kz5 s THR 88 N -3.55 -0.83 0.56 1.83 -1.32 -1.26 -5.17 115.64 105.90 2kz5 s THR 88 Ca 0.38 0.04 -0.14 0.00 -1.21 0.00 0.00 61.69 60.75 2kz5 s THR 88 Cb 0.03 -0.87 -0.06 0.00 -1.51 0.00 0.00 72.50 70.09 2kz5 s THR 88 CO 0.23 -0.00 1.01 0.27 -2.21 0.00 0.00 174.62 173.91 2kz5 s ILE 89 N 2.75 4.60 0.78 5.08 -4.36 -1.26 -5.06 121.20 123.73 2kz5 s ILE 89 Ca 0.05 1.07 -0.11 0.00 -0.26 0.00 0.00 60.65 61.39 2kz5 s ILE 89 Cb -0.13 -3.78 0.06 0.00 1.25 0.00 0.00 42.46 39.85 2kz5 s ILE 89 CO -0.17 -0.89 1.09 0.54 0.24 0.00 0.00 174.94 175.75 2kz5 s VAL 90 N -2.87 3.32 -2.50 8.37 0.11 -1.26 -5.38 120.40 120.19 2kz5 s VAL 90 Ca 0.57 0.43 0.28 0.00 -2.93 0.00 0.00 61.98 60.33 2kz5 s VAL 90 Cb -0.10 -3.13 0.55 0.00 -1.53 0.00 0.00 36.38 32.16 2kz5 s VAL 90 CO 0.41 -0.56 1.74 1.67 -3.33 0.00 0.00 175.10 175.03