#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 1.37 3.64 3.03 0.00 -1.26 -4.94 105.19 107.03 2kz5 n GLY 2 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 2kz5 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kz5 n HIS 3 N 0.00 2.17 0.22 1.61 -0.00 -1.26 -4.84 115.22 113.13 2kz5 n HIS 3 Ca 0.00 0.05 0.16 0.00 -0.00 0.00 0.00 57.72 57.93 2kz5 n HIS 3 Cb 0.00 -2.64 0.82 0.00 -0.00 0.00 0.00 29.99 28.17 2kz5 n HIS 3 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kz5 h HIS 4 N 10.14 0.00 0.00 4.41 -0.00 -2.05 -2.97 115.15 124.69 2kz5 h HIS 4 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 2kz5 h HIS 4 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 2kz5 h HIS 4 CO 0.89 0.00 -0.05 -2.39 -0.00 0.00 0.00 177.93 176.38 2kz5 n HIS 5 N -3.92 0.00 -2.52 2.45 -0.00 -1.26 -5.04 115.22 104.93 2kz5 n HIS 5 Ca 0.01 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.72 57.61 2kz5 n HIS 5 Cb 0.26 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2kz5 n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kz5 n HIS 6 N -0.02 -1.59 -2.03 -1.40 -0.00 -1.12 -4.81 115.22 104.25 2kz5 n HIS 6 Ca 0.00 0.03 -0.32 0.00 -0.00 0.00 0.00 57.72 57.43 2kz5 n HIS 6 Cb 0.51 -2.30 -0.04 0.00 -0.00 0.00 0.00 29.99 28.17 2kz5 n HIS 6 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kz5 s HIS 7 N -2.47 1.71 0.02 1.57 2.46 -1.26 -4.92 115.29 112.40 2kz5 s HIS 7 Ca 0.03 0.74 -0.02 0.00 0.47 0.00 0.00 55.06 56.28 2kz5 s HIS 7 Cb -0.01 -4.05 -0.02 0.00 -0.13 0.00 0.00 32.58 28.37 2kz5 s HIS 7 CO 0.03 -2.03 0.02 -1.58 -2.47 0.00 0.00 174.74 168.71 2kz5 s HIS 8 N 9.71 0.22 -0.77 3.88 5.65 -1.26 -5.08 115.29 127.63 2kz5 s HIS 8 Ca 0.69 -0.46 -0.26 0.00 0.25 0.00 0.00 55.06 55.29 2kz5 s HIS 8 Cb -0.10 -0.16 -0.10 0.00 -1.18 0.00 0.00 32.58 31.04 2kz5 s HIS 8 CO 0.10 -0.23 2.28 -1.54 -0.65 0.00 0.00 174.74 174.70 2kz5 s SER 9 N -1.55 4.28 0.13 9.88 1.04 -1.26 -4.73 113.70 121.49 2kz5 s SER 9 Ca -0.14 0.03 0.09 0.00 0.48 0.00 0.00 55.95 56.41 2kz5 s SER 9 Cb -0.08 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.33 2kz5 s SER 9 CO -0.01 -3.45 1.24 -0.74 0.98 0.00 0.00 173.24 171.26 2kz5 h HIS 10 N 13.35 0.00 -1.88 5.02 -0.00 -1.98 -3.47 115.15 126.19 2kz5 h HIS 10 Ca -0.02 0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.80 2kz5 h HIS 10 Cb 1.04 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.37 2kz5 h HIS 10 CO 1.14 0.90 -0.55 0.00 -0.00 0.00 0.00 177.93 179.43 2kz5 s MET 11 N -2.75 2.32 -0.06 5.26 0.00 -1.26 -5.02 119.30 117.78 2kz5 s MET 11 Ca 0.01 -1.59 0.01 0.00 0.00 0.00 0.00 55.69 54.13 2kz5 s MET 11 Cb 0.09 -2.13 0.12 0.00 0.00 0.00 0.00 34.83 32.92 2kz5 s MET 11 CO 0.81 0.11 0.97 0.00 0.00 0.00 0.00 175.02 176.91 2kz5 n ALA 12 N -1.12 2.90 -1.09 3.16 0.00 -1.26 -4.96 120.51 118.14 2kz5 n ALA 12 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2kz5 n ALA 12 Cb 0.61 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2kz5 n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kz5 n LYS 13 N 0.17 -3.08 -2.39 0.00 5.02 -1.26 -4.75 118.16 111.87 2kz5 n LYS 13 Ca 0.08 2.24 -0.37 0.00 -2.02 0.00 0.00 58.31 58.24 2kz5 n LYS 13 Cb 0.58 -2.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 2kz5 n LYS 13 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kz5 s PRO 14 N -3.26 3.32 -1.12 1.97 0.02 -1.26 -4.92 135.00 129.75 2kz5 s PRO 14 Ca 0.00 -1.17 -0.21 0.00 0.02 0.00 0.00 61.00 59.64 2kz5 s PRO 14 Cb 0.00 -5.32 0.03 0.00 0.02 0.00 0.00 34.50 29.23 2kz5 s PRO 14 CO 0.00 -2.71 1.65 0.99 -0.33 0.00 0.00 177.00 176.60 2kz5 s THR 15 N 6.71 3.90 -0.40 0.99 2.01 -1.26 -4.89 115.64 122.69 2kz5 s THR 15 Ca 0.56 -1.14 -0.20 0.00 0.31 0.00 0.00 61.69 61.22 2kz5 s THR 15 Cb -0.01 -4.94 0.01 0.00 0.01 0.00 0.00 72.50 67.57 2kz5 s THR 15 CO -0.00 -1.77 0.60 0.00 -0.69 0.00 0.00 174.62 172.76 2kz5 s ALA 16 N 5.87 3.40 -0.29 7.40 0.00 -1.26 -4.95 121.76 131.93 2kz5 s ALA 16 Ca 0.54 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 2kz5 s ALA 16 Cb 0.01 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2kz5 s ALA 16 CO -0.00 -1.56 0.07 1.03 0.00 0.00 0.00 175.76 175.30 2kz5 s ARG 17 N 2.66 3.08 0.33 0.00 1.81 -1.26 -4.89 118.95 120.67 2kz5 s ARG 17 Ca 0.21 -0.86 -0.15 0.00 -1.72 0.00 0.00 55.73 53.21 2kz5 s ARG 17 Cb -0.15 -3.34 0.06 0.00 -0.45 0.00 0.00 34.95 31.08 2kz5 s ARG 17 CO 0.16 -0.44 0.77 0.41 -0.68 0.00 0.00 175.30 175.53 2kz5 n GLY 18 N 4.85 0.98 3.16 -3.53 0.00 -1.26 -5.11 105.19 104.28 2kz5 n GLY 18 Ca -0.15 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.53 2kz5 n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kz5 s GLU 19 N -2.08 0.31 0.05 1.61 -1.05 -1.26 -5.06 118.70 111.23 2kz5 s GLU 19 Ca 0.16 0.53 -0.27 0.00 -0.15 0.00 0.00 54.97 55.24 2kz5 s GLU 19 Cb -0.04 0.03 0.07 0.00 -0.44 0.00 0.00 34.13 33.75 2kz5 s GLU 19 CO 0.10 -0.11 0.63 0.00 0.95 0.00 0.00 175.26 176.83 2kz5 s ALA 20 N 0.78 -1.64 0.00 -0.84 0.00 -1.26 -5.06 121.76 113.74 2kz5 s ALA 20 Ca -0.05 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2kz5 s ALA 20 Cb -0.06 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2kz5 s ALA 20 CO -0.05 -0.56 0.73 0.41 0.00 0.00 0.00 175.76 176.29 2kz5 n GLY 21 N 0.29 0.85 3.93 0.00 0.00 -1.26 -4.84 105.19 104.16 2kz5 n GLY 21 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2kz5 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kz5 s SER 22 N -0.52 6.37 0.04 1.61 0.01 -1.26 -4.99 113.70 114.96 2kz5 s SER 22 Ca 0.00 0.29 -0.24 0.00 1.31 0.00 0.00 55.95 57.30 2kz5 s SER 22 Cb 0.00 -1.96 -0.13 0.00 0.21 0.00 0.00 66.02 64.14 2kz5 s SER 22 CO 0.00 0.09 1.37 0.03 0.41 0.00 0.00 173.24 175.14 2kz5 h ARG 23 N 2.62 -0.79 -0.67 12.44 -0.00 -1.99 0.91 114.38 126.91 2kz5 h ARG 23 Ca -0.47 0.05 0.03 0.00 -0.50 0.00 0.00 59.98 59.10 2kz5 h ARG 23 Cb 1.18 0.18 -0.04 0.00 0.00 0.00 0.00 29.97 31.29 2kz5 h ARG 23 CO 0.72 -0.52 0.44 -0.44 0.00 0.00 0.00 179.97 180.17 2kz5 h ASP 24 N -0.82 0.69 0.08 7.04 5.19 -2.02 -0.53 116.42 126.06 2kz5 h ASP 24 Ca -0.07 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.19 2kz5 h ASP 24 Cb 0.65 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.99 2kz5 h ASP 24 CO 0.09 0.48 -0.47 -0.33 -3.12 0.00 0.00 179.24 175.88 2kz5 h GLU 25 N 0.80 0.46 0.00 3.56 3.07 -1.96 -3.06 114.58 117.46 2kz5 h GLU 25 Ca 0.27 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 2kz5 h GLU 25 Cb 0.07 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2kz5 h GLU 25 CO -0.07 0.84 -0.12 0.00 -1.40 0.00 0.00 179.01 178.26 2kz5 h ARG 26 N 0.37 0.00 -0.65 2.33 3.08 0.86 -2.13 114.38 118.24 2kz5 h ARG 26 Ca 0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2kz5 h ARG 26 Cb 0.97 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 2kz5 h ARG 26 CO 0.09 0.12 0.40 0.00 -1.07 0.00 0.00 179.97 179.50 2kz5 h ARG 27 N 0.00 0.77 0.67 0.04 3.08 -1.38 -1.75 114.38 115.80 2kz5 h ARG 27 Ca -0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2kz5 h ARG 27 Cb 0.32 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.20 2kz5 h ARG 27 CO 0.01 0.51 -0.32 0.00 -1.07 0.00 0.00 179.97 179.10 2kz5 h ALA 28 N 1.28 -0.89 0.00 0.04 0.00 -1.51 -2.03 119.26 116.14 2kz5 h ALA 28 Ca 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kz5 h ALA 28 Cb 0.01 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kz5 h ALA 28 CO -0.10 -0.95 -0.16 1.37 0.00 0.00 0.00 179.25 179.40 2kz5 h LEU 29 N -0.99 0.00 -0.07 0.00 8.10 -1.58 0.33 115.31 121.10 2kz5 h LEU 29 Ca -0.09 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.88 2kz5 h LEU 29 Cb 0.71 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.93 2kz5 h LEU 29 CO 0.15 0.16 -0.02 0.00 -4.11 0.00 0.00 178.44 174.63 2kz5 h ALA 30 N 1.84 0.10 -0.34 0.17 0.00 -1.17 -3.09 119.26 116.76 2kz5 h ALA 30 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kz5 h ALA 30 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kz5 h ALA 30 CO 0.02 -0.18 0.00 -1.33 0.00 0.00 0.00 179.25 177.76 2kz5 n MET 31 N -4.81 1.97 -3.06 0.00 2.81 -0.77 -4.98 117.12 108.27 2kz5 n MET 31 Ca -0.07 -1.48 -0.03 0.00 -1.81 0.00 0.00 57.70 54.31 2kz5 n MET 31 Cb 0.23 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 0.70 -1.53 -3.54 0.03 5.02 0.82 -4.96 118.16 114.69 2kz5 n LYS 32 Ca 0.16 1.58 -0.41 0.00 -2.02 0.00 0.00 58.31 57.61 2kz5 n LYS 32 Cb 0.38 -5.56 -0.11 0.00 -0.02 0.00 0.00 35.03 29.73 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 -2.91 4.94 -0.44 -0.18 -1.09 0.73 -4.67 121.20 117.58 2kz5 s ILE 33 Ca 0.05 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2kz5 s ILE 33 Cb -0.01 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 2kz5 s ILE 33 CO 0.76 -0.20 0.78 -0.81 -1.23 0.00 0.00 174.94 174.24 2kz5 n PRO 34 N 5.07 1.00 -3.82 2.79 -0.04 -1.26 -4.72 135.00 134.02 2kz5 n PRO 34 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 2kz5 n PRO 34 Cb 0.47 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.44 -0.08 0.36 0.54 -0.12 -1.26 -5.05 117.98 111.93 2kz5 s PHE 35 Ca 0.00 0.13 -0.28 0.00 -0.05 0.00 0.00 56.93 56.73 2kz5 s PHE 35 Cb 0.00 0.02 -0.11 0.00 -0.63 0.00 0.00 43.02 42.30 2kz5 s PHE 35 CO 0.00 -0.28 1.43 -1.25 -0.05 0.00 0.00 175.22 175.07 2kz5 s PRO 36 N -1.06 4.19 0.18 1.99 0.04 -1.26 -4.95 135.00 134.12 2kz5 s PRO 36 Ca -0.11 2.46 -0.10 0.00 0.04 0.00 0.00 61.00 63.29 2kz5 s PRO 36 Cb -0.06 -3.00 0.07 0.00 0.04 0.00 0.00 34.50 31.55 2kz5 s PRO 36 CO 0.02 -0.42 1.66 1.79 0.04 0.00 0.00 177.00 180.09 2kz5 h THR 37 N 2.99 1.26 -0.77 1.26 1.35 -1.96 -3.12 112.91 113.93 2kz5 h THR 37 Ca -0.50 -1.08 0.10 0.00 -0.55 0.00 0.00 66.41 64.38 2kz5 h THR 37 Cb 1.23 0.75 -0.07 0.00 -1.73 0.00 0.00 68.15 68.33 2kz5 h THR 37 CO 0.65 0.40 0.41 -2.24 -0.25 0.00 0.00 175.52 174.48 2kz5 h ASP 38 N 0.96 0.55 -0.34 5.36 2.03 -1.98 -1.31 116.42 121.69 2kz5 h ASP 38 Ca 0.18 0.06 -0.06 0.00 -0.73 0.00 0.00 57.03 56.48 2kz5 h ASP 38 Cb 0.49 -0.04 -0.02 0.00 -0.83 0.00 0.00 39.33 38.93 2kz5 h ASP 38 CO 0.02 0.31 0.01 0.50 -1.03 0.00 0.00 179.24 179.05 2kz5 h LYS 39 N 0.68 0.70 -0.93 4.15 3.64 -1.95 -2.32 116.57 120.54 2kz5 h LYS 39 Ca 0.38 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 2kz5 h LYS 39 Cb 0.38 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 2kz5 h LYS 39 CO -0.27 0.71 0.58 0.82 -2.27 0.00 0.00 179.45 179.02 2kz5 h ILE 40 N 0.66 0.98 -0.05 2.00 2.04 -1.23 -0.01 117.51 121.90 2kz5 h ILE 40 Ca 0.13 -0.34 -0.21 0.00 1.00 0.00 0.00 64.86 65.44 2kz5 h ILE 40 Cb 0.40 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2kz5 h ILE 40 CO 0.01 0.18 -0.85 0.58 0.00 0.00 0.00 178.15 178.07 2kz5 h VAL 41 N 0.98 1.36 -0.14 1.67 2.07 -1.29 -3.33 116.25 117.57 2kz5 h VAL 41 Ca 0.44 -2.24 -0.22 0.00 0.82 0.00 0.00 66.70 65.50 2kz5 h VAL 41 Cb 0.33 2.23 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2kz5 h VAL 41 CO -0.22 0.68 -0.77 0.78 0.02 0.00 0.00 177.57 178.05 2kz5 h ASN 42 N 0.31 0.92 -3.51 0.57 -0.26 -0.88 -3.46 115.58 109.28 2kz5 h ASN 42 Ca -0.06 -0.64 -0.52 0.00 -0.56 0.00 0.00 56.30 54.52 2kz5 h ASN 42 Cb 1.46 -0.27 0.05 0.00 -1.06 0.00 0.00 38.32 38.50 2kz5 h ASN 42 CO 0.15 1.41 0.70 -0.76 -1.06 0.00 0.00 177.43 177.87 2kz5 s LEU 43 N -8.42 4.41 1.13 1.61 1.43 -0.07 -5.03 118.68 113.73 2kz5 s LEU 43 Ca -0.11 2.60 -0.17 0.00 -1.03 0.00 0.00 54.13 55.42 2kz5 s LEU 43 Cb 0.08 -3.63 0.25 0.00 0.03 0.00 0.00 46.19 42.93 2kz5 s LEU 43 CO 0.90 -0.61 1.13 -2.16 0.23 0.00 0.00 176.35 175.84 2kz5 s PRO 44 N -0.68 -0.62 0.23 1.29 0.04 -1.26 -4.65 135.00 129.35 2kz5 s PRO 44 Ca 0.56 0.00 -0.06 0.00 0.04 0.00 0.00 61.00 61.53 2kz5 s PRO 44 Cb -0.40 -1.66 0.33 0.00 0.04 0.00 0.00 34.50 32.81 2kz5 s PRO 44 CO 0.44 -3.33 1.80 -0.24 0.04 0.00 0.00 177.00 175.72 2kz5 h VAL 45 N -2.31 0.91 0.47 -0.36 3.04 -1.98 0.67 116.25 116.69 2kz5 h VAL 45 Ca -0.47 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 2kz5 h VAL 45 Cb 1.30 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2kz5 h VAL 45 CO 0.40 0.13 -0.23 -0.78 -1.01 0.00 0.00 177.57 176.09 2kz5 h ASP 46 N 0.71 -0.53 -0.75 3.17 3.58 -1.99 0.13 116.42 120.73 2kz5 h ASP 46 Ca 0.35 -0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.79 2kz5 h ASP 46 Cb 0.31 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 2kz5 h ASP 46 CO -0.23 -0.28 0.49 0.44 -2.88 0.00 0.00 179.24 176.79 2kz5 h ASP 47 N -0.78 0.80 0.00 2.28 5.19 -1.88 -0.74 116.42 121.30 2kz5 h ASP 47 Ca -0.06 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2kz5 h ASP 47 Cb 0.55 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2kz5 h ASP 47 CO 0.11 0.55 -0.00 0.15 -3.12 0.00 0.00 179.24 176.93 2kz5 h PHE 48 N 0.93 -0.00 -0.60 4.55 3.57 -0.67 0.31 116.94 125.02 2kz5 h PHE 48 Ca 0.29 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 2kz5 h PHE 48 Cb 0.03 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2kz5 h PHE 48 CO -0.00 0.06 0.33 -0.91 -2.23 0.00 0.00 178.31 175.56 2kz5 h ASN 49 N -0.07 0.74 -0.16 0.41 2.35 -0.56 -1.86 115.58 116.43 2kz5 h ASN 49 Ca -0.00 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2kz5 h ASN 49 Cb 0.07 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 2kz5 h ASN 49 CO 0.00 0.62 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.97 2kz5 h GLU 50 N 0.81 -0.10 -0.50 0.81 4.39 -1.04 -1.23 114.58 117.72 2kz5 h GLU 50 Ca 0.21 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.02 2kz5 h GLU 50 Cb 0.04 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.63 2kz5 h GLU 50 CO -0.03 -0.07 -0.08 1.25 -1.16 0.00 0.00 179.01 178.92 2kz5 h LEU 51 N -0.11 -0.37 -1.27 1.33 5.85 -0.51 0.24 115.31 120.47 2kz5 h LEU 51 Ca 0.10 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2kz5 h LEU 51 Cb 0.25 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2kz5 h LEU 51 CO -0.23 -0.13 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.42 2kz5 h LEU 52 N 0.04 0.18 0.00 2.25 3.38 -1.09 -2.58 115.31 117.49 2kz5 h LEU 52 Ca 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2kz5 h LEU 52 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2kz5 h LEU 52 CO -0.48 0.44 -0.43 0.00 0.09 0.00 0.00 178.44 178.06 2kz5 h ALA 53 N 1.58 0.79 0.00 1.53 0.00 0.08 -3.32 119.26 119.93 2kz5 h ALA 53 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kz5 h ALA 53 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kz5 h ALA 53 CO 0.04 0.26 -0.87 0.54 0.00 0.00 0.00 179.25 179.21 2kz5 n ARG 54 N -3.05 0.41 -4.18 0.00 1.74 0.69 -4.90 116.66 107.38 2kz5 n ARG 54 Ca 0.02 0.08 -0.33 0.00 -0.77 0.00 0.00 57.85 56.85 2kz5 n ARG 54 Cb 0.62 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 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 -3.25 3.18 0.00 -1.55 1.51 -0.99 -5.02 117.35 111.23 2kz5 s TYR 55 Ca 0.03 0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2kz5 s TYR 55 Cb 0.12 -1.70 -0.09 0.00 -0.11 0.00 0.00 41.96 40.18 2kz5 s TYR 55 CO 0.77 0.51 2.34 -0.35 -1.11 0.00 0.00 175.55 177.70 2kz5 n PRO 56 N 1.26 1.22 -2.91 -1.71 -0.04 -1.26 -4.91 135.00 126.64 2kz5 n PRO 56 Ca -0.14 -0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 62.64 2kz5 n PRO 56 Cb 0.53 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 4.25 0.60 1.53 1.43 -1.26 -4.52 118.68 120.71 2kz5 s LEU 57 Ca 0.22 1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 54.90 2kz5 s LEU 57 Cb 0.10 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2kz5 s LEU 57 CO 0.00 -0.10 0.92 0.42 0.23 0.00 0.00 176.35 177.82 2kz5 s THR 58 N -1.71 3.76 0.41 5.49 -4.23 -1.26 -4.85 115.64 113.25 2kz5 s THR 58 Ca 0.50 0.10 0.21 0.00 -1.18 0.00 0.00 61.69 61.32 2kz5 s THR 58 Cb -0.16 -3.50 0.41 0.00 1.34 0.00 0.00 72.50 70.59 2kz5 s THR 58 CO 0.21 -0.53 1.74 -0.33 -0.54 0.00 0.00 174.62 175.17 2kz5 h GLU 59 N -0.21 0.32 -0.49 3.99 5.08 -2.00 0.23 114.58 121.50 2kz5 h GLU 59 Ca -0.45 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 2kz5 h GLU 59 Cb 1.25 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2kz5 h GLU 59 CO 0.61 0.21 -0.15 0.66 -1.00 0.00 0.00 179.01 179.34 2kz5 h SER 60 N 0.33 0.98 -0.38 1.42 4.64 -2.00 -2.86 113.55 115.67 2kz5 h SER 60 Ca 0.64 -0.37 -0.07 0.00 -0.47 0.00 0.00 61.79 61.51 2kz5 h SER 60 Cb 1.71 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2kz5 h SER 60 CO -0.32 1.13 -0.02 1.56 -0.87 0.00 0.00 176.83 178.31 2kz5 h GLN 61 N 0.82 0.69 -0.98 4.77 4.20 -0.93 -2.62 115.11 121.07 2kz5 h GLN 61 Ca 0.12 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2kz5 h GLN 61 Cb 0.72 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 2kz5 h GLN 61 CO 0.06 0.80 0.64 -0.07 -0.67 0.00 0.00 178.83 179.59 2kz5 h LEU 62 N 0.51 1.13 -0.92 1.46 4.07 -1.45 -1.60 115.31 118.51 2kz5 h LEU 62 Ca 0.11 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.06 2kz5 h LEU 62 Cb 0.50 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.90 2kz5 h LEU 62 CO 0.02 0.83 0.60 0.00 -1.08 0.00 0.00 178.44 178.81 2kz5 h ALA 63 N 1.35 1.20 0.28 1.53 0.00 -1.35 -1.61 119.26 120.67 2kz5 h ALA 63 Ca 0.36 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2kz5 h ALA 63 Cb -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.31 2kz5 h ALA 63 CO -0.08 0.49 -0.14 1.25 0.00 0.00 0.00 179.25 180.78 2kz5 h LEU 64 N 1.19 -0.32 -1.01 0.00 5.85 -1.01 -2.93 115.31 117.08 2kz5 h LEU 64 Ca 0.36 -0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.18 2kz5 h LEU 64 Cb -0.04 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 2kz5 h LEU 64 CO -0.11 -0.17 0.63 0.58 -0.34 0.00 0.00 178.44 179.03 2kz5 h VAL 65 N -0.46 0.85 -0.50 1.05 2.07 -1.04 -0.20 116.25 118.03 2kz5 h VAL 65 Ca -0.04 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2kz5 h VAL 65 Cb 0.34 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2kz5 h VAL 65 CO 0.06 0.17 0.21 0.03 0.02 0.00 0.00 177.57 178.07 2kz5 h ARG 66 N 0.93 0.71 -0.13 1.57 3.08 -1.21 -0.84 114.38 118.49 2kz5 h ARG 66 Ca 0.52 -0.09 -0.22 0.00 0.07 0.00 0.00 59.98 60.26 2kz5 h ARG 66 Cb 0.62 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.55 2kz5 h ARG 66 CO -0.30 0.58 -0.79 0.22 -1.07 0.00 0.00 179.97 178.61 2kz5 h ASP 67 N 0.71 0.92 -0.94 7.04 3.58 -0.90 -2.92 116.42 123.90 2kz5 h ASP 67 Ca 0.17 -0.64 0.05 0.00 0.42 0.00 0.00 57.03 57.03 2kz5 h ASP 67 Cb 0.12 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 40.84 2kz5 h ASP 67 CO -0.02 1.42 0.60 0.40 -2.88 0.00 0.00 179.24 178.76 2kz5 h ILE 68 N 0.49 1.11 -0.27 2.25 2.04 -0.87 0.77 117.51 123.04 2kz5 h ILE 68 Ca -0.06 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.47 2kz5 h ILE 68 Cb 1.42 -0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 2kz5 h ILE 68 CO 0.16 0.21 -0.10 -0.09 0.00 0.00 0.00 178.15 178.33 2kz5 h ARG 69 N 1.14 -0.05 -0.49 2.37 2.43 -1.15 -2.47 114.38 116.16 2kz5 h ARG 69 Ca 0.39 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.59 2kz5 h ARG 69 Cb 0.09 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2kz5 h ARG 69 CO -0.15 -0.03 0.27 -0.09 -1.51 0.00 0.00 179.97 178.46 2kz5 h ARG 70 N -0.05 0.52 -0.02 0.20 2.43 -1.10 -2.01 114.38 114.35 2kz5 h ARG 70 Ca 0.14 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2kz5 h ARG 70 Cb 0.25 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 2kz5 h ARG 70 CO -0.31 0.35 -0.42 0.00 -1.51 0.00 0.00 179.97 178.09 2kz5 h ARG 71 N 0.54 -0.54 -0.07 0.20 2.47 -0.43 0.38 114.38 116.93 2kz5 h ARG 71 Ca 0.20 0.04 -0.21 0.00 -1.26 0.00 0.00 59.98 58.75 2kz5 h ARG 71 Cb 0.06 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2kz5 h ARG 71 CO -0.11 -0.36 -0.82 0.78 0.56 0.00 0.00 179.97 180.02 2kz5 h GLY 72 N -0.56 0.57 0.93 0.04 0.00 -1.52 -3.27 103.07 99.26 2kz5 h GLY 72 Ca 0.05 -0.86 -0.14 0.00 0.00 0.00 0.00 47.33 46.38 2kz5 h GLY 72 CO -0.33 0.77 -0.42 1.70 0.00 0.00 0.00 176.54 178.27 2kz5 h LYS 73 N 0.33 0.61 -0.51 4.80 3.64 -1.18 -3.05 116.57 121.22 2kz5 h LYS 73 Ca -0.05 -0.41 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 2kz5 h LYS 73 Cb 1.42 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.27 2kz5 h LYS 73 CO 0.15 1.02 0.34 -0.97 -2.27 0.00 0.00 179.45 177.73 2kz5 h ASN 74 N 0.28 0.37 -0.23 4.20 -1.24 -1.04 0.06 115.58 117.99 2kz5 h ASN 74 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.07 2kz5 h ASN 74 Cb 1.02 -0.08 -0.07 0.00 0.73 0.00 0.00 38.32 39.92 2kz5 h ASN 74 CO 0.09 0.24 -0.24 0.50 -1.29 0.00 0.00 177.43 176.73 2kz5 h LYS 75 N 0.42 -0.24 0.00 6.67 3.64 -1.58 -0.74 116.57 124.74 2kz5 h LYS 75 Ca 0.23 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.46 2kz5 h LYS 75 Cb 0.35 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2kz5 h LYS 75 CO -0.06 -0.16 -0.85 -0.24 -2.27 0.00 0.00 179.45 175.87 2kz5 h VAL 76 N -0.25 1.09 -0.10 2.00 3.04 -1.53 -3.27 116.25 117.23 2kz5 h VAL 76 Ca 0.13 -2.61 -0.04 0.00 -1.01 0.00 0.00 66.70 63.17 2kz5 h VAL 76 Cb 0.46 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 2kz5 h VAL 76 CO -0.38 0.62 -0.13 0.00 -1.01 0.00 0.00 177.57 176.68 2kz5 h ALA 77 N 1.30 1.61 -0.17 3.17 0.00 -0.58 -1.61 119.26 122.99 2kz5 h ALA 77 Ca -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2kz5 h ALA 77 Cb 1.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2kz5 h ALA 77 CO 0.08 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.67 2kz5 h ALA 78 N 1.73 0.22 0.00 0.00 0.00 -1.19 -2.89 119.26 117.13 2kz5 h ALA 78 Ca 0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 2kz5 h ALA 78 Cb 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kz5 h ALA 78 CO 0.02 -0.16 -0.66 -0.56 0.00 0.00 0.00 179.25 177.89 2kz5 h GLN 79 N 0.09 0.00 -0.88 0.00 3.07 -1.64 -3.00 115.11 112.75 2kz5 h GLN 79 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.69 2kz5 h GLN 79 Cb 0.23 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.73 2kz5 h GLN 79 CO -0.00 0.66 0.13 0.09 0.09 0.00 0.00 178.83 179.80 2kz5 n ASN 80 N -3.74 3.34 -4.72 0.06 3.02 -0.62 -4.96 115.26 107.65 2kz5 n ASN 80 Ca -0.01 -2.59 -0.42 0.00 -0.03 0.00 0.00 54.58 51.54 2kz5 n ASN 80 Cb 0.66 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 2kz5 n ASN 80 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2kz5 s TYR 81 N -1.76 3.28 0.84 3.10 5.04 -1.09 -4.99 117.35 121.76 2kz5 s TYR 81 Ca 0.27 1.07 -0.14 0.00 -2.44 0.00 0.00 57.07 55.84 2kz5 s TYR 81 Cb 0.22 -3.62 0.03 0.00 0.35 0.00 0.00 41.96 38.94 2kz5 s TYR 81 CO 0.07 -2.09 0.72 2.89 -1.34 0.00 0.00 175.55 175.80 2kz5 n ARG 82 N 3.61 0.03 -2.00 4.97 -4.01 -1.26 -4.86 116.66 113.14 2kz5 n ARG 82 Ca 0.10 0.07 -0.43 0.00 -1.04 0.00 0.00 57.85 56.55 2kz5 n ARG 82 Cb 0.43 -2.05 -0.03 0.00 -3.04 0.00 0.00 32.46 27.77 2kz5 n ARG 82 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 2kz5 s LYS 83 N -3.56 3.47 0.03 2.89 2.47 -1.26 -4.97 119.74 118.81 2kz5 s LYS 83 Ca 0.65 1.56 -0.30 0.00 -1.56 0.00 0.00 55.97 56.32 2kz5 s LYS 83 Cb -0.28 -4.16 -0.05 0.00 -1.46 0.00 0.00 37.83 31.88 2kz5 s LYS 83 CO 0.59 -1.69 1.13 -0.98 0.16 0.00 0.00 175.35 174.56 2kz5 s ARG 84 N 5.40 4.46 -0.26 4.03 1.70 -1.26 -5.04 118.95 127.98 2kz5 s ARG 84 Ca 0.79 1.65 -0.07 0.00 -0.47 0.00 0.00 55.73 57.64 2kz5 s ARG 84 Cb -0.24 -3.41 -0.01 0.00 -0.57 0.00 0.00 34.95 30.71 2kz5 s ARG 84 CO 0.33 -0.22 0.05 0.15 -1.08 0.00 0.00 175.30 174.53 2kz5 s LYS 85 N 1.20 3.45 0.00 3.89 1.02 -1.26 -4.98 119.74 123.07 2kz5 s LYS 85 Ca 0.56 -0.61 0.10 0.00 0.02 0.00 0.00 55.97 56.04 2kz5 s LYS 85 Cb -0.26 -3.28 0.57 0.00 -0.52 0.00 0.00 37.83 34.34 2kz5 s LYS 85 CO 0.28 -0.26 1.23 1.28 -0.92 0.00 0.00 175.35 176.96 2kz5 n LEU 86 N 4.89 0.00 -4.56 3.17 4.32 -1.26 -4.69 117.00 118.87 2kz5 n LEU 86 Ca -0.16 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.57 2kz5 n LEU 86 Cb 0.50 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.25 2kz5 n LEU 86 CO 0.31 0.00 1.39 -1.61 -1.22 0.00 0.00 177.39 176.26 2kz5 s GLU 87 N -2.00 2.31 0.67 3.23 8.01 -1.26 -4.96 118.70 124.71 2kz5 s GLU 87 Ca 0.14 0.13 -0.09 0.00 0.01 0.00 0.00 54.97 55.16 2kz5 s GLU 87 Cb 0.07 -4.87 0.02 0.00 -4.31 0.00 0.00 34.13 25.04 2kz5 s GLU 87 CO 0.11 -3.53 1.03 -0.08 0.01 0.00 0.00 175.26 172.80 2kz5 s THR 88 N 11.17 3.35 -0.19 3.63 -1.32 -1.26 -4.97 115.64 126.03 2kz5 s THR 88 Ca 0.77 0.23 -0.28 0.00 -1.21 0.00 0.00 61.69 61.19 2kz5 s THR 88 Cb -0.10 -3.40 -0.05 0.00 -1.51 0.00 0.00 72.50 67.44 2kz5 s THR 88 CO 0.06 -0.48 2.11 -0.63 -2.21 0.00 0.00 174.62 173.47 2kz5 s ILE 89 N -3.24 3.09 0.24 5.08 -1.09 -1.26 -4.90 121.20 119.12 2kz5 s ILE 89 Ca 0.57 0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.78 2kz5 s ILE 89 Cb -0.11 -3.11 -0.14 0.00 -1.58 0.00 0.00 42.46 37.52 2kz5 s ILE 89 CO 0.49 -0.06 1.20 1.33 -1.23 0.00 0.00 174.94 176.67 2kz5 n VAL 90 N 7.33 1.34 1.41 2.92 0.24 -1.26 -5.33 118.33 124.98 2kz5 n VAL 90 Ca 0.27 -0.34 0.11 0.00 -2.04 0.00 0.00 64.34 62.35 2kz5 n VAL 90 Cb 0.45 -1.14 0.67 0.00 -1.47 0.00 0.00 33.84 32.35 2kz5 n VAL 90 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36