#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kz5 s GLY 2 N 0.00 2.73 -0.01 3.17 0.00 -1.26 -4.97 107.32 106.98 2kz5 s GLY 2 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.87 2kz5 s GLY 2 CO 0.00 0.60 1.00 1.42 0.00 0.00 0.00 173.10 176.12 2kz5 n HIS 3 N 1.80 0.23 -3.90 1.90 -0.00 -1.26 -4.75 115.22 109.24 2kz5 n HIS 3 Ca -0.09 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.72 57.42 2kz5 n HIS 3 Cb 0.50 -0.04 -0.13 0.00 -0.00 0.00 0.00 29.99 30.32 2kz5 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kz5 s HIS 4 N -1.69 0.06 -0.62 4.41 0.09 -1.26 -5.12 115.29 111.16 2kz5 s HIS 4 Ca 0.09 -0.12 -0.27 0.00 -0.00 0.00 0.00 55.06 54.77 2kz5 s HIS 4 Cb 0.05 -0.05 0.04 0.00 -0.00 0.00 0.00 32.58 32.62 2kz5 s HIS 4 CO 0.05 -0.08 1.14 -1.58 -0.00 0.00 0.00 174.74 174.28 2kz5 s HIS 5 N -0.47 2.57 0.87 1.40 5.04 -1.26 -5.03 115.29 118.42 2kz5 s HIS 5 Ca -0.05 0.13 -0.13 0.00 -1.54 0.00 0.00 55.06 53.46 2kz5 s HIS 5 Cb -0.03 -4.43 0.14 0.00 0.04 0.00 0.00 32.58 28.30 2kz5 s HIS 5 CO -0.00 -1.66 1.24 -1.01 -2.34 0.00 0.00 174.74 170.97 2kz5 s HIS 6 N 4.85 2.30 -1.54 3.88 3.76 -1.26 -4.03 115.29 123.25 2kz5 s HIS 6 Ca 0.37 0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 55.76 2kz5 s HIS 6 Cb -0.09 -3.77 0.01 0.00 1.11 0.00 0.00 32.58 29.84 2kz5 s HIS 6 CO 0.20 -2.16 0.45 1.58 -0.85 0.00 0.00 174.74 173.95 2kz5 n HIS 7 N -3.50 -1.74 -1.53 1.40 -0.00 -1.26 -4.88 115.22 103.71 2kz5 n HIS 7 Ca 0.11 0.39 -0.42 0.00 -0.00 0.00 0.00 57.72 57.80 2kz5 n HIS 7 Cb 0.60 -4.12 -0.02 0.00 -0.00 0.00 0.00 29.99 26.46 2kz5 n HIS 7 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kz5 n HIS 8 N -4.29 2.95 -3.68 1.57 1.44 -1.26 -4.81 115.22 107.15 2kz5 n HIS 8 Ca -0.13 -2.58 -0.02 0.00 -2.01 0.00 0.00 57.72 52.98 2kz5 n HIS 8 Cb 0.62 -2.27 -0.01 0.00 0.12 0.00 0.00 29.99 28.46 2kz5 n HIS 8 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kz5 s SER 9 N 3.80 -0.15 -0.11 4.39 0.15 -1.26 -5.05 113.70 115.46 2kz5 s SER 9 Ca 0.51 -0.26 0.14 0.00 0.70 0.00 0.00 55.95 57.04 2kz5 s SER 9 Cb 0.14 0.36 0.28 0.00 -1.71 0.00 0.00 66.02 65.08 2kz5 s SER 9 CO -0.02 -0.65 1.14 0.00 1.20 0.00 0.00 173.24 174.91 2kz5 n HIS 10 N -0.43 0.00 0.11 3.44 -0.00 -1.26 -4.74 115.22 112.33 2kz5 n HIS 10 Ca -0.07 -0.88 -0.01 0.00 -0.00 0.00 0.00 57.72 56.76 2kz5 n HIS 10 Cb 0.61 -0.15 0.27 0.00 -0.00 0.00 0.00 29.99 30.72 2kz5 n HIS 10 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2kz5 h MET 11 N 0.32 0.21 -6.13 -1.40 2.86 -1.97 -3.42 114.93 105.39 2kz5 h MET 11 Ca -0.02 -0.08 -0.57 0.00 -2.06 0.00 0.00 59.70 56.97 2kz5 h MET 11 Cb 1.15 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 2kz5 h MET 11 CO 0.01 0.54 0.59 0.00 1.06 0.00 0.00 176.91 179.10 2kz5 s ALA 12 N -4.26 3.51 -0.35 6.32 0.00 -1.26 -5.00 121.76 120.71 2kz5 s ALA 12 Ca -0.04 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 2kz5 s ALA 12 Cb 0.14 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.86 2kz5 s ALA 12 CO 0.76 -0.74 1.20 0.15 0.00 0.00 0.00 175.76 177.14 2kz5 s LYS 13 N 2.36 3.90 -0.37 0.00 -0.14 -1.26 -5.01 119.74 119.22 2kz5 s LYS 13 Ca 0.45 1.03 -0.19 0.00 -1.36 0.00 0.00 55.97 55.90 2kz5 s LYS 13 Cb -0.17 -3.85 0.01 0.00 -1.68 0.00 0.00 37.83 32.14 2kz5 s LYS 13 CO 0.13 -1.13 0.58 -1.25 -0.76 0.00 0.00 175.35 172.92 2kz5 s PRO 14 N 4.11 3.55 0.00 -1.68 0.04 -1.26 -4.89 135.00 134.87 2kz5 s PRO 14 Ca 0.51 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2kz5 s PRO 14 Cb -0.13 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2kz5 s PRO 14 CO 0.23 -0.76 0.00 0.25 0.04 0.00 0.00 177.00 176.76 2kz5 n THR 15 N 5.57 0.00 -1.55 1.26 -2.24 -1.26 -5.04 114.28 111.02 2kz5 n THR 15 Ca -0.03 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 2kz5 n THR 15 Cb 0.48 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.46 2kz5 n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kz5 n ALA 16 N -2.13 0.95 -2.40 6.98 0.00 -1.26 -4.95 120.51 117.69 2kz5 n ALA 16 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 53.44 52.47 2kz5 n ALA 16 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 19.45 16.40 2kz5 n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kz5 s ARG 17 N 7.87 3.59 -0.07 0.00 1.81 -1.26 -5.10 118.95 125.78 2kz5 s ARG 17 Ca 1.03 0.08 0.05 0.00 -1.72 0.00 0.00 55.73 55.17 2kz5 s ARG 17 Cb -0.35 -2.50 -0.01 0.00 -0.45 0.00 0.00 34.95 31.64 2kz5 s ARG 17 CO 0.31 -0.00 -0.23 0.20 -0.68 0.00 0.00 175.30 174.90 2kz5 s GLY 18 N -3.72 1.25 0.34 -3.53 0.00 -1.26 -5.12 107.32 95.28 2kz5 s GLY 18 Ca 0.45 -0.96 -0.28 0.00 0.00 0.00 0.00 44.72 43.94 2kz5 s GLY 18 CO 0.37 -0.47 1.28 -0.54 0.00 0.00 0.00 173.10 173.74 2kz5 s GLU 19 N 0.07 4.31 -0.00 2.90 2.02 -1.26 -4.98 118.70 121.76 2kz5 s GLU 19 Ca -0.09 2.15 -0.02 0.00 0.02 0.00 0.00 54.97 57.03 2kz5 s GLU 19 Cb -0.15 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 2kz5 s GLU 19 CO 0.05 -0.20 -0.04 0.00 0.02 0.00 0.00 175.26 175.10 2kz5 n ALA 20 N 0.70 1.85 -0.22 5.21 0.00 -1.26 -5.11 120.51 121.67 2kz5 n ALA 20 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kz5 n ALA 20 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 2.66 0.76 3.87 0.00 0.00 -1.26 -5.11 105.19 106.11 2kz5 n GLY 21 Ca -0.02 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.83 6.61 0.27 1.61 0.01 -1.26 -4.92 113.70 114.20 2kz5 s SER 22 Ca 0.00 1.13 -0.01 0.00 1.31 0.00 0.00 55.95 58.39 2kz5 s SER 22 Cb 0.00 -2.32 0.58 0.00 0.21 0.00 0.00 66.02 64.49 2kz5 s SER 22 CO 0.00 -0.29 1.70 0.03 0.41 0.00 0.00 173.24 175.09 2kz5 h ARG 23 N 1.75 0.36 0.35 12.44 3.08 -1.99 0.15 114.38 130.52 2kz5 h ARG 23 Ca -0.47 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2kz5 h ARG 23 Cb 1.18 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 2kz5 h ARG 23 CO 0.65 0.24 -0.39 0.22 -1.07 0.00 0.00 179.97 179.62 2kz5 h ASP 24 N 0.37 -1.07 -0.88 7.04 3.58 -2.00 -2.28 116.42 121.18 2kz5 h ASP 24 Ca 0.48 0.10 0.09 0.00 0.42 0.00 0.00 57.03 58.12 2kz5 h ASP 24 Cb 0.85 0.37 -0.07 0.00 1.72 0.00 0.00 39.33 42.19 2kz5 h ASP 24 CO -0.50 -0.53 0.53 -0.33 -2.88 0.00 0.00 179.24 175.53 2kz5 h GLU 25 N -0.77 0.86 -0.43 0.28 5.08 -1.56 -2.31 114.58 115.73 2kz5 h GLU 25 Ca -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2kz5 h GLU 25 Cb 0.70 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2kz5 h GLU 25 CO -0.09 0.57 0.06 0.00 -1.00 0.00 0.00 179.01 178.56 2kz5 h ARG 26 N 0.89 0.66 -0.53 2.33 3.08 -0.59 -0.75 114.38 119.47 2kz5 h ARG 26 Ca 0.42 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 2kz5 h ARG 26 Cb 0.34 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 2kz5 h ARG 26 CO -0.23 0.64 0.17 0.00 -1.07 0.00 0.00 179.97 179.48 2kz5 h ARG 27 N 0.64 0.78 0.23 0.04 2.47 -0.86 0.06 114.38 117.73 2kz5 h ARG 27 Ca 0.14 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2kz5 h ARG 27 Cb 0.31 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2kz5 h ARG 27 CO 0.00 0.67 -0.11 0.00 0.56 0.00 0.00 179.97 181.09 2kz5 h ALA 28 N 1.43 -0.31 0.00 0.04 0.00 -0.91 -2.62 119.26 116.89 2kz5 h ALA 28 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2kz5 h ALA 28 Cb 0.21 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kz5 h ALA 28 CO -0.01 -0.55 -0.21 1.37 0.00 0.00 0.00 179.25 179.86 2kz5 h LEU 29 N -0.57 0.00 -0.78 0.00 8.10 -1.23 0.38 115.31 121.21 2kz5 h LEU 29 Ca -0.03 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.89 2kz5 h LEU 29 Cb 0.42 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.61 2kz5 h LEU 29 CO 0.05 0.21 0.12 0.00 -4.11 0.00 0.00 178.44 174.70 2kz5 h ALA 30 N 1.79 1.00 -0.50 0.17 0.00 -0.93 -2.60 119.26 118.19 2kz5 h ALA 30 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kz5 h ALA 30 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kz5 h ALA 30 CO 0.03 0.64 0.00 -1.33 0.00 0.00 0.00 179.25 178.59 2kz5 n MET 31 N -4.23 2.33 -3.18 0.00 2.81 -0.96 -5.00 117.12 108.90 2kz5 n MET 31 Ca 0.04 -2.05 -0.04 0.00 -1.81 0.00 0.00 57.70 53.84 2kz5 n MET 31 Cb 0.27 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 1.19 -1.36 -3.25 0.03 5.02 -0.06 -4.98 118.16 114.75 2kz5 n LYS 32 Ca 0.19 1.37 -0.41 0.00 -2.02 0.00 0.00 58.31 57.45 2kz5 n LYS 32 Cb 0.51 -5.20 -0.08 0.00 -0.02 0.00 0.00 35.03 30.24 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 -3.00 5.05 -0.25 -0.18 -1.09 -0.15 -4.98 121.20 116.60 2kz5 s ILE 33 Ca 0.00 0.58 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 2kz5 s ILE 33 Cb -0.00 -3.88 0.02 0.00 -1.58 0.00 0.00 42.46 37.02 2kz5 s ILE 33 CO 0.77 -0.06 0.91 -0.81 -1.23 0.00 0.00 174.94 174.53 2kz5 n PRO 34 N 5.63 1.06 -3.65 2.79 -0.04 -1.26 -4.78 135.00 134.75 2kz5 n PRO 34 Ca -0.05 -0.10 -0.15 0.00 -0.04 0.00 0.00 63.50 63.16 2kz5 n PRO 34 Cb 0.49 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.34 -0.54 0.29 0.54 -0.12 -1.26 -5.16 117.98 111.38 2kz5 s PHE 35 Ca 0.02 1.16 -0.29 0.00 -0.05 0.00 0.00 56.93 57.77 2kz5 s PHE 35 Cb 0.02 0.24 -0.10 0.00 -0.63 0.00 0.00 43.02 42.55 2kz5 s PHE 35 CO 0.00 -0.40 1.33 -1.25 -0.05 0.00 0.00 175.22 174.86 2kz5 s PRO 36 N -0.42 4.35 0.36 1.99 0.04 -1.26 -4.93 135.00 135.12 2kz5 s PRO 36 Ca -0.06 2.19 0.06 0.00 0.04 0.00 0.00 61.00 63.24 2kz5 s PRO 36 Cb -0.03 -3.11 0.68 0.00 0.04 0.00 0.00 34.50 32.08 2kz5 s PRO 36 CO 0.04 -0.24 1.90 1.79 0.04 0.00 0.00 177.00 180.53 2kz5 h THR 37 N 3.28 1.18 -0.56 1.26 1.35 -1.97 -2.37 112.91 115.09 2kz5 h THR 37 Ca -0.47 -0.72 0.11 0.00 -0.55 0.00 0.00 66.41 64.78 2kz5 h THR 37 Cb 1.22 0.97 -0.11 0.00 -1.73 0.00 0.00 68.15 68.51 2kz5 h THR 37 CO 0.71 0.24 -0.13 0.44 -0.25 0.00 0.00 175.52 176.53 2kz5 h ASP 38 N 0.43 -0.49 -0.68 5.36 5.19 -2.00 -1.16 116.42 123.06 2kz5 h ASP 38 Ca 0.10 0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 2kz5 h ASP 38 Cb 0.30 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 40.12 2kz5 h ASP 38 CO 0.01 -0.18 0.33 0.50 -3.12 0.00 0.00 179.24 176.79 2kz5 h LYS 39 N 0.01 0.98 -0.82 3.56 3.64 -1.82 -1.24 116.57 120.88 2kz5 h LYS 39 Ca 0.27 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.64 2kz5 h LYS 39 Cb 0.41 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 2kz5 h LYS 39 CO -0.57 0.77 0.41 0.82 -2.27 0.00 0.00 179.45 178.62 2kz5 h ILE 40 N 0.95 0.75 0.02 2.00 2.04 -1.07 0.77 117.51 122.97 2kz5 h ILE 40 Ca 0.24 -0.21 -0.22 0.00 1.00 0.00 0.00 64.86 65.67 2kz5 h ILE 40 Cb 0.11 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2kz5 h ILE 40 CO -0.03 0.11 -0.95 0.58 0.00 0.00 0.00 178.15 177.86 2kz5 h VAL 41 N 0.61 1.49 0.06 1.67 2.07 -0.95 -3.33 116.25 117.87 2kz5 h VAL 41 Ca 0.44 -2.69 -0.23 0.00 0.82 0.00 0.00 66.70 65.03 2kz5 h VAL 41 Cb 0.59 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2kz5 h VAL 41 CO -0.35 0.79 -1.06 0.78 0.02 0.00 0.00 177.57 177.75 2kz5 h ASN 42 N 0.12 0.30 -4.03 0.57 -0.26 -0.52 -3.46 115.58 108.30 2kz5 h ASN 42 Ca -0.06 -0.29 -0.51 0.00 -0.56 0.00 0.00 56.30 54.88 2kz5 h ASN 42 Cb 1.61 -0.09 0.07 0.00 -1.06 0.00 0.00 38.32 38.84 2kz5 h ASN 42 CO 0.15 1.17 0.47 -0.76 -1.06 0.00 0.00 177.43 177.40 2kz5 s LEU 43 N -7.19 3.91 0.87 1.61 1.43 0.20 -5.05 118.68 114.47 2kz5 s LEU 43 Ca -0.03 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.24 2kz5 s LEU 43 Cb 0.09 -4.36 0.11 0.00 0.03 0.00 0.00 46.19 42.06 2kz5 s LEU 43 CO 0.85 -1.06 1.14 -2.16 0.23 0.00 0.00 176.35 175.35 2kz5 s PRO 44 N -2.91 1.49 0.43 1.29 0.04 -1.26 -4.79 135.00 129.29 2kz5 s PRO 44 Ca 0.67 0.33 0.16 0.00 0.04 0.00 0.00 61.00 62.19 2kz5 s PRO 44 Cb -0.28 -1.88 1.06 0.00 0.04 0.00 0.00 34.50 33.45 2kz5 s PRO 44 CO 0.33 -1.97 1.93 -0.24 0.04 0.00 0.00 177.00 177.09 2kz5 h VAL 45 N -1.33 0.81 0.66 -0.36 3.04 -1.97 -0.11 116.25 116.99 2kz5 h VAL 45 Ca -0.49 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.03 2kz5 h VAL 45 Cb 1.32 0.37 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 2kz5 h VAL 45 CO 0.62 0.07 -0.43 0.44 -1.01 0.00 0.00 177.57 177.26 2kz5 h ASP 46 N 0.40 -1.11 -0.45 3.17 5.19 -2.00 -0.29 116.42 121.33 2kz5 h ASP 46 Ca 0.35 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.81 2kz5 h ASP 46 Cb 0.81 0.33 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 2kz5 h ASP 46 CO -0.11 -0.65 0.21 0.44 -3.12 0.00 0.00 179.24 176.01 2kz5 h ASP 47 N -1.03 0.63 0.04 6.45 5.19 -1.85 -2.83 116.42 123.01 2kz5 h ASP 47 Ca -0.09 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.27 2kz5 h ASP 47 Cb 0.84 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 2kz5 h ASP 47 CO 0.07 0.56 -0.09 0.15 -3.12 0.00 0.00 179.24 176.82 2kz5 h PHE 48 N 0.70 -0.22 -0.64 4.55 3.57 -0.80 0.12 116.94 124.22 2kz5 h PHE 48 Ca 0.17 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.73 2kz5 h PHE 48 Cb 0.12 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2kz5 h PHE 48 CO 0.01 -0.13 0.36 -0.91 -2.23 0.00 0.00 178.31 175.40 2kz5 h ASN 49 N -0.17 0.54 -0.36 0.41 2.35 -0.95 -2.08 115.58 115.32 2kz5 h ASN 49 Ca 0.02 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2kz5 h ASN 49 Cb 0.19 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2kz5 h ASN 49 CO -0.06 0.36 0.22 -0.33 -1.65 0.00 0.00 177.43 175.97 2kz5 h GLU 50 N 0.68 0.44 -0.60 0.81 5.08 -1.23 -2.49 114.58 117.27 2kz5 h GLU 50 Ca 0.28 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 2kz5 h GLU 50 Cb 0.14 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2kz5 h GLU 50 CO -0.16 0.29 0.26 1.25 -1.00 0.00 0.00 179.01 179.65 2kz5 h LEU 51 N 0.45 0.30 -1.31 1.33 5.85 -0.19 0.29 115.31 122.04 2kz5 h LEU 51 Ca 0.14 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 2kz5 h LEU 51 Cb -0.01 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2kz5 h LEU 51 CO -0.06 0.19 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.84 2kz5 h LEU 52 N 0.47 0.04 0.12 2.25 3.38 -1.25 -2.93 115.31 117.40 2kz5 h LEU 52 Ca 0.29 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.95 2kz5 h LEU 52 Cb 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2kz5 h LEU 52 CO -0.26 0.36 -1.47 0.00 0.09 0.00 0.00 178.44 177.16 2kz5 h ALA 53 N 1.64 0.23 -0.02 1.53 0.00 -0.75 -3.39 119.26 118.50 2kz5 h ALA 53 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 54.91 53.84 2kz5 h ALA 53 Cb 0.59 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kz5 h ALA 53 CO 0.04 1.10 -0.02 0.00 0.00 0.00 0.00 179.25 180.38 2kz5 h ARG 54 N 0.07 0.05 -6.24 0.00 3.08 -0.44 -3.43 114.38 107.47 2kz5 h ARG 54 Ca -0.22 -0.03 -0.55 0.00 0.07 0.00 0.00 59.98 59.25 2kz5 h ARG 54 Cb 2.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.02 2kz5 h ARG 54 CO 0.17 0.52 0.16 0.71 -1.07 0.00 0.00 179.97 180.47 2kz5 s TYR 55 N -4.27 3.68 -1.03 3.04 1.51 -1.11 -4.99 117.35 114.18 2kz5 s TYR 55 Ca -0.16 1.44 -0.23 0.00 -1.01 0.00 0.00 57.07 57.11 2kz5 s TYR 55 Cb 0.02 -2.85 -0.00 0.00 -0.11 0.00 0.00 41.96 39.02 2kz5 s TYR 55 CO 0.69 0.19 1.73 -1.25 -1.11 0.00 0.00 175.55 175.80 2kz5 s PRO 56 N 0.29 3.12 0.25 -1.71 0.04 -1.26 -4.87 135.00 130.85 2kz5 s PRO 56 Ca 0.40 -0.93 0.08 0.00 0.04 0.00 0.00 61.00 60.58 2kz5 s PRO 56 Cb -0.20 -5.26 -0.04 0.00 0.04 0.00 0.00 34.50 29.05 2kz5 s PRO 56 CO 0.22 -2.88 0.13 -0.51 0.04 0.00 0.00 177.00 174.01 2kz5 s LEU 57 N 7.56 3.64 0.56 -3.56 1.43 -1.26 -5.13 118.68 121.92 2kz5 s LEU 57 Ca 0.59 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 2kz5 s LEU 57 Cb -0.02 -2.18 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2kz5 s LEU 57 CO -0.01 -0.02 0.99 0.42 0.23 0.00 0.00 176.35 177.96 2kz5 s THR 58 N -2.14 4.66 0.36 5.49 -4.23 -1.26 -4.86 115.64 113.66 2kz5 s THR 58 Ca 0.32 0.96 0.13 0.00 -1.18 0.00 0.00 61.69 61.91 2kz5 s THR 58 Cb -0.08 -3.81 0.35 0.00 1.34 0.00 0.00 72.50 70.30 2kz5 s THR 58 CO 0.23 -0.94 1.80 -0.33 -0.54 0.00 0.00 174.62 174.85 2kz5 h GLU 59 N 0.23 0.55 -0.67 3.99 5.08 -2.00 0.27 114.58 122.03 2kz5 h GLU 59 Ca -0.45 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2kz5 h GLU 59 Cb 1.19 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2kz5 h GLU 59 CO 0.62 0.36 0.26 0.77 -1.00 0.00 0.00 179.01 180.02 2kz5 h SER 60 N 0.56 0.94 -0.33 1.42 0.02 -1.99 -2.07 113.55 112.10 2kz5 h SER 60 Ca 0.55 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2kz5 h SER 60 Cb 1.12 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 2kz5 h SER 60 CO -0.29 0.86 0.08 1.56 -1.14 0.00 0.00 176.83 177.90 2kz5 h GLN 61 N 0.96 0.53 -0.82 3.45 4.20 -0.86 0.11 115.11 122.67 2kz5 h GLN 61 Ca 0.22 -0.13 0.04 0.00 0.06 0.00 0.00 58.65 58.84 2kz5 h GLN 61 Cb 0.23 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 2kz5 h GLN 61 CO -0.02 0.59 0.52 -0.07 -0.67 0.00 0.00 178.83 179.19 2kz5 h LEU 62 N 0.37 0.86 -0.49 1.46 4.07 -1.25 -0.43 115.31 119.91 2kz5 h LEU 62 Ca 0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2kz5 h LEU 62 Cb 0.30 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 2kz5 h LEU 62 CO 0.00 0.59 0.28 0.00 -1.08 0.00 0.00 178.44 178.23 2kz5 h ALA 63 N 1.35 0.62 -0.12 1.53 0.00 -1.10 -1.78 119.26 119.76 2kz5 h ALA 63 Ca 0.33 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2kz5 h ALA 63 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2kz5 h ALA 63 CO -0.12 0.12 -0.06 1.25 0.00 0.00 0.00 179.25 180.43 2kz5 h LEU 64 N 0.65 -0.21 -1.31 0.00 5.85 -0.41 -0.98 115.31 118.90 2kz5 h LEU 64 Ca 0.17 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.03 2kz5 h LEU 64 Cb 0.01 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2kz5 h LEU 64 CO -0.03 -0.09 0.53 0.58 -0.34 0.00 0.00 178.44 179.09 2kz5 h VAL 65 N -0.06 0.97 -0.35 1.05 2.07 -0.90 0.16 116.25 119.18 2kz5 h VAL 65 Ca 0.07 -0.27 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 2kz5 h VAL 65 Cb 0.16 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2kz5 h VAL 65 CO -0.16 0.14 -0.25 0.03 0.02 0.00 0.00 177.57 177.36 2kz5 h ARG 66 N 0.79 0.71 -0.47 1.57 3.08 -0.77 -1.24 114.38 118.05 2kz5 h ARG 66 Ca 0.37 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2kz5 h ARG 66 Cb 0.40 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2kz5 h ARG 66 CO -0.14 0.89 -0.01 0.22 -1.07 0.00 0.00 179.97 179.86 2kz5 h ASP 67 N 0.62 0.82 -0.44 7.04 3.58 0.22 -1.10 116.42 127.16 2kz5 h ASP 67 Ca 0.08 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.26 2kz5 h ASP 67 Cb 0.75 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.54 2kz5 h ASP 67 CO 0.06 0.93 0.20 0.40 -2.88 0.00 0.00 179.24 177.95 2kz5 h ILE 68 N 0.69 0.93 -0.51 2.25 2.04 -0.61 0.58 117.51 122.87 2kz5 h ILE 68 Ca 0.13 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2kz5 h ILE 68 Cb 0.52 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2kz5 h ILE 68 CO 0.03 0.07 0.33 -0.09 0.00 0.00 0.00 178.15 178.48 2kz5 h ARG 69 N 0.40 0.64 -0.10 2.37 2.43 -1.09 0.35 114.38 119.37 2kz5 h ARG 69 Ca 0.20 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2kz5 h ARG 69 Cb 0.14 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2kz5 h ARG 69 CO -0.16 0.42 0.03 -0.09 -1.51 0.00 0.00 179.97 178.66 2kz5 h ARG 70 N 0.66 0.16 0.00 0.20 9.65 -0.65 -0.71 114.38 123.69 2kz5 h ARG 70 Ca 0.20 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.86 2kz5 h ARG 70 Cb -0.03 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2kz5 h ARG 70 CO -0.07 0.31 -0.85 0.07 2.80 0.00 0.00 179.97 182.23 2kz5 h ARG 71 N -0.02 0.02 -0.05 0.20 0.11 -0.87 -2.51 114.38 111.26 2kz5 h ARG 71 Ca 0.03 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 2kz5 h ARG 71 Cb 0.21 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.30 2kz5 h ARG 71 CO -0.00 0.86 -0.04 0.78 0.10 0.00 0.00 179.97 181.67 2kz5 h GLY 72 N 2.47 0.13 2.00 0.08 0.00 -0.25 -3.06 103.07 104.44 2kz5 h GLY 72 Ca -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2kz5 h GLY 72 CO 0.11 0.12 -0.21 1.70 0.00 0.00 0.00 176.54 178.26 2kz5 h LYS 73 N -0.30 0.00 -0.66 4.80 1.63 -1.22 -2.11 116.57 118.72 2kz5 h LYS 73 Ca 0.01 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.97 2kz5 h LYS 73 Cb 0.52 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 2kz5 h LYS 73 CO 0.01 0.21 0.46 -0.97 -3.45 0.00 0.00 179.45 175.70 2kz5 h ASN 74 N 0.00 0.18 -0.98 4.20 -1.24 -1.34 0.93 115.58 117.33 2kz5 h ASN 74 Ca -0.00 0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.10 2kz5 h ASN 74 Cb 0.52 -0.03 -0.07 0.00 0.73 0.00 0.00 38.32 39.47 2kz5 h ASN 74 CO 0.03 0.09 0.62 0.50 -1.29 0.00 0.00 177.43 177.38 2kz5 h LYS 75 N 0.19 1.05 0.00 6.67 1.63 -1.38 -2.57 116.57 122.16 2kz5 h LYS 75 Ca 0.32 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 2kz5 h LYS 75 Cb 0.99 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2kz5 h LYS 75 CO -0.06 0.69 -1.03 0.28 -3.45 0.00 0.00 179.45 175.89 2kz5 n VAL 76 N -4.56 0.45 -0.29 2.00 0.31 0.08 -4.49 118.33 111.82 2kz5 n VAL 76 Ca 0.16 -0.45 0.10 0.00 -0.01 0.00 0.00 64.34 64.14 2kz5 n VAL 76 Cb 0.24 -0.18 0.23 0.00 -0.91 0.00 0.00 33.84 33.22 2kz5 n VAL 76 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kz5 h ALA 77 N 2.18 1.03 -0.87 3.52 0.00 -0.49 0.31 119.26 124.93 2kz5 h ALA 77 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.19 2kz5 h ALA 77 Cb 0.91 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2kz5 h ALA 77 CO 0.00 -0.47 0.57 0.00 0.00 0.00 0.00 179.25 179.35 2kz5 h ALA 78 N 1.80 1.42 0.08 0.00 0.00 -1.79 0.12 119.26 120.89 2kz5 h ALA 78 Ca 0.50 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 55.10 2kz5 h ALA 78 Cb 0.97 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kz5 h ALA 78 CO -0.72 0.52 -1.25 1.96 0.00 0.00 0.00 179.25 179.75 2kz5 h GLN 79 N 1.13 0.16 0.00 0.00 1.08 -0.84 -3.23 115.11 113.41 2kz5 h GLN 79 Ca 0.33 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2kz5 h GLN 79 Cb -0.06 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2kz5 h GLN 79 CO -0.09 1.08 0.00 -0.97 -0.95 0.00 0.00 178.83 177.90 2kz5 h ASN 80 N 0.04 0.00 -4.13 1.46 -1.24 -0.50 -3.46 115.58 107.76 2kz5 h ASN 80 Ca -0.12 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.35 2kz5 h ASN 80 Cb 1.92 0.00 0.19 0.00 0.73 0.00 0.00 38.32 41.16 2kz5 h ASN 80 CO 0.16 0.00 0.20 0.00 -1.29 0.00 0.00 177.43 176.50 2kz5 n TYR 81 N -2.77 0.85 -1.23 0.67 9.36 0.40 -3.29 117.16 121.15 2kz5 n TYR 81 Ca 0.03 0.39 -0.08 0.00 3.32 0.00 0.00 57.90 61.56 2kz5 n TYR 81 Cb 0.41 -2.04 -0.03 0.00 -0.63 0.00 0.00 39.34 37.05 2kz5 n TYR 81 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2kz5 n ARG 82 N -3.43 -0.56 -3.34 2.98 5.12 -1.26 -5.02 116.66 111.15 2kz5 n ARG 82 Ca 0.12 0.77 -0.39 0.00 -1.93 0.00 0.00 57.85 56.42 2kz5 n ARG 82 Cb 0.51 -4.60 -0.08 0.00 -1.16 0.00 0.00 32.46 27.13 2kz5 n ARG 82 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2kz5 s LYS 83 N -2.63 4.06 0.49 5.56 2.20 -1.21 -5.08 119.74 123.14 2kz5 s LYS 83 Ca 0.00 0.16 0.05 0.00 -0.36 0.00 0.00 55.97 55.82 2kz5 s LYS 83 Cb 0.00 -3.63 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 2kz5 s LYS 83 CO 0.00 -0.26 0.68 1.03 -0.36 0.00 0.00 175.35 176.45 2kz5 s ARG 84 N 2.01 2.65 -0.48 4.03 0.52 -1.26 -5.07 118.95 121.35 2kz5 s ARG 84 Ca 0.18 -1.04 -0.20 0.00 -0.52 0.00 0.00 55.73 54.14 2kz5 s ARG 84 Cb -0.16 -2.62 0.04 0.00 0.52 0.00 0.00 34.95 32.73 2kz5 s ARG 84 CO 0.09 -0.53 0.66 0.15 0.02 0.00 0.00 175.30 175.69 2kz5 s LYS 85 N -4.57 3.22 -1.06 3.54 1.02 -1.26 -5.00 119.74 115.62 2kz5 s LYS 85 Ca 0.57 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.94 2kz5 s LYS 85 Cb -0.10 -4.02 0.30 0.00 -0.52 0.00 0.00 37.83 33.49 2kz5 s LYS 85 CO 0.36 -1.14 1.39 1.28 -0.92 0.00 0.00 175.35 176.33 2kz5 n LEU 86 N 6.33 6.16 -4.83 3.17 4.77 -1.26 -5.03 117.00 126.31 2kz5 n LEU 86 Ca -0.03 -5.20 -0.33 0.00 -0.03 0.00 0.00 56.01 50.41 2kz5 n LEU 86 Cb 0.47 -1.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 2kz5 n LEU 86 CO 0.55 1.66 0.50 -1.61 -1.33 0.00 0.00 177.39 177.16 2kz5 s GLU 87 N -2.56 4.13 0.32 3.23 8.01 -1.26 -5.09 118.70 125.48 2kz5 s GLU 87 Ca 0.31 0.86 0.06 0.00 0.01 0.00 0.00 54.97 56.22 2kz5 s GLU 87 Cb 0.03 -2.43 -0.03 0.00 -4.31 0.00 0.00 34.13 27.39 2kz5 s GLU 87 CO 0.07 0.14 0.26 -0.08 0.01 0.00 0.00 175.26 175.66 2kz5 s THR 88 N -1.97 0.02 0.28 3.63 -1.32 -1.26 -5.15 115.64 109.88 2kz5 s THR 88 Ca 0.55 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.74 2kz5 s THR 88 Cb -0.11 -2.49 -0.10 0.00 -1.51 0.00 0.00 72.50 68.29 2kz5 s THR 88 CO 0.17 0.00 1.11 -0.63 -2.21 0.00 0.00 174.62 173.06 2kz5 s ILE 89 N -3.51 3.43 -0.18 5.08 -1.09 -1.26 -5.05 121.20 118.62 2kz5 s ILE 89 Ca 0.40 1.44 -0.11 0.00 -2.23 0.00 0.00 60.65 60.16 2kz5 s ILE 89 Cb 0.03 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.05 2kz5 s ILE 89 CO 0.25 0.34 0.44 0.54 -1.23 0.00 0.00 174.94 175.28 2kz5 s VAL 90 N -1.17 -0.02 -2.05 2.92 0.11 -1.26 -5.35 120.40 113.59 2kz5 s VAL 90 Ca 0.45 0.07 0.32 0.00 -2.93 0.00 0.00 61.98 59.89 2kz5 s VAL 90 Cb -0.32 -0.64 0.87 0.00 -1.53 0.00 0.00 36.38 34.76 2kz5 s VAL 90 CO 0.42 0.03 2.18 1.67 -3.33 0.00 0.00 175.10 176.07