#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 -4.59 3.04 3.17 0.00 -1.26 -5.00 105.19 100.55 2kz5 n GLY 2 Ca 0.00 1.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.92 3.43 -0.34 1.61 3.76 -1.26 -5.08 115.29 116.50 2kz5 s HIS 3 Ca -0.14 -2.86 -0.29 0.00 -0.15 0.00 0.00 55.06 51.62 2kz5 s HIS 3 Cb 0.01 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2kz5 s HIS 3 CO 0.67 -0.85 1.39 -1.58 -0.85 0.00 0.00 174.74 173.52 2kz5 s HIS 4 N 0.25 2.49 0.16 1.40 2.46 -1.26 -4.99 115.29 115.80 2kz5 s HIS 4 Ca 0.14 0.75 -0.30 0.00 0.47 0.00 0.00 55.06 56.12 2kz5 s HIS 4 Cb -0.22 -4.08 -0.07 0.00 -0.13 0.00 0.00 32.58 28.07 2kz5 s HIS 4 CO -0.03 -1.98 1.04 -1.58 -2.47 0.00 0.00 174.74 169.71 2kz5 s HIS 5 N 4.94 3.71 0.60 3.88 5.65 -1.26 -5.05 115.29 127.76 2kz5 s HIS 5 Ca 0.60 1.70 0.05 0.00 0.25 0.00 0.00 55.06 57.66 2kz5 s HIS 5 Cb -0.16 -3.17 0.08 0.00 -1.18 0.00 0.00 32.58 28.15 2kz5 s HIS 5 CO 0.28 -0.22 0.83 -1.58 -0.65 0.00 0.00 174.74 173.40 2kz5 s HIS 6 N -0.27 1.87 0.00 3.88 2.46 -1.26 -4.70 115.29 117.28 2kz5 s HIS 6 Ca 0.48 -0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.58 2kz5 s HIS 6 Cb -0.27 -2.58 0.00 0.00 -0.13 0.00 0.00 32.58 29.60 2kz5 s HIS 6 CO 0.33 -1.20 0.00 0.72 -2.47 0.00 0.00 174.74 172.12 2kz5 n HIS 7 N -2.41 0.00 -1.53 3.88 -0.00 -1.26 -4.93 115.22 108.98 2kz5 n HIS 7 Ca 0.13 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.43 2kz5 n HIS 7 Cb 0.61 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.54 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 0.00 1.47 -3.60 4.41 -0.00 -1.26 -4.85 115.22 111.39 2kz5 n HIS 8 Ca 0.00 0.14 -0.06 0.00 -0.00 0.00 0.00 57.72 57.80 2kz5 n HIS 8 Cb 0.00 -2.60 -0.04 0.00 -0.00 0.00 0.00 29.99 27.35 2kz5 n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kz5 s SER 9 N 9.79 -0.21 0.26 4.39 0.15 -1.26 -5.15 113.70 121.66 2kz5 s SER 9 Ca 1.06 0.19 0.07 0.00 0.70 0.00 0.00 55.95 57.97 2kz5 s SER 9 Cb -0.52 0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 63.92 2kz5 s SER 9 CO 0.37 -0.23 -0.08 -1.00 1.20 0.00 0.00 173.24 173.49 2kz5 s HIS 10 N -1.41 1.91 -0.54 3.44 4.02 -1.26 -5.06 115.29 116.39 2kz5 s HIS 10 Ca 0.04 -0.66 0.01 0.00 1.02 0.00 0.00 55.06 55.47 2kz5 s HIS 10 Cb -0.01 -1.04 0.48 0.00 -1.02 0.00 0.00 32.58 31.00 2kz5 s HIS 10 CO -0.03 0.31 1.82 0.00 1.02 0.00 0.00 174.74 177.85 2kz5 n MET 11 N -0.54 2.76 -1.70 1.40 -0.00 -1.26 -5.03 117.12 112.76 2kz5 n MET 11 Ca -0.06 -3.43 -0.57 0.00 -0.00 0.00 0.00 57.70 53.65 2kz5 n MET 11 Cb 0.63 -2.24 -0.07 0.00 -0.00 0.00 0.00 33.22 31.53 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 -0.19 -3.56 3.17 0.00 -1.26 -4.94 120.51 112.81 2kz5 n ALA 12 Ca 0.57 0.39 -0.28 0.00 0.00 0.00 0.00 53.44 54.12 2kz5 n ALA 12 Cb 0.87 -2.23 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 2kz5 n ALA 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2kz5 s LYS 13 N 3.35 1.20 -0.24 0.00 -2.85 -1.26 -5.11 119.74 114.83 2kz5 s LYS 13 Ca 0.97 -2.17 -0.14 0.00 -1.00 0.00 0.00 55.97 53.63 2kz5 s LYS 13 Cb -1.04 -1.94 -0.04 0.00 -2.06 0.00 0.00 37.83 32.74 2kz5 s LYS 13 CO 0.64 -1.29 0.31 -1.25 0.10 0.00 0.00 175.35 173.85 2kz5 s PRO 14 N 0.03 4.07 -0.31 1.78 0.04 -1.26 -5.08 135.00 134.27 2kz5 s PRO 14 Ca 0.26 -0.02 -0.07 0.00 0.04 0.00 0.00 61.00 61.20 2kz5 s PRO 14 Cb -0.08 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.88 2kz5 s PRO 14 CO -0.11 -0.11 0.10 0.99 0.04 0.00 0.00 177.00 177.91 2kz5 s THR 15 N 1.54 4.03 -0.01 1.26 2.01 -1.26 -5.08 115.64 118.13 2kz5 s THR 15 Ca 0.14 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.37 2kz5 s THR 15 Cb -0.15 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.24 2kz5 s THR 15 CO 0.08 0.01 0.02 0.00 -0.69 0.00 0.00 174.62 174.04 2kz5 s ALA 16 N 1.50 -0.02 0.11 7.40 0.00 -1.26 -5.17 121.76 124.32 2kz5 s ALA 16 Ca 0.02 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.17 2kz5 s ALA 16 Cb -0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2kz5 s ALA 16 CO 0.03 -0.03 -0.21 -0.98 0.00 0.00 0.00 175.76 174.57 2kz5 s ARG 17 N 0.25 1.13 0.00 0.00 1.04 -1.26 -5.08 118.95 115.03 2kz5 s ARG 17 Ca -0.02 -1.18 0.00 0.00 -1.04 0.00 0.00 55.73 53.49 2kz5 s ARG 17 Cb -0.03 -1.37 0.00 0.00 -2.04 0.00 0.00 34.95 31.51 2kz5 s ARG 17 CO -0.01 0.32 0.00 0.41 -0.04 0.00 0.00 175.30 175.98 2kz5 n GLY 18 N 1.02 -1.88 3.60 3.88 0.00 -1.26 -5.12 105.19 105.44 2kz5 n GLY 18 Ca -0.19 0.87 -0.43 0.00 0.00 0.00 0.00 46.02 46.27 2kz5 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kz5 s GLU 19 N 0.00 3.46 -0.10 1.61 2.02 -1.26 -4.99 118.70 119.44 2kz5 s GLU 19 Ca 0.00 1.38 -0.19 0.00 0.02 0.00 0.00 54.97 56.17 2kz5 s GLU 19 Cb 0.00 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 2kz5 s GLU 19 CO 0.00 -1.71 0.52 0.00 0.02 0.00 0.00 175.26 174.09 2kz5 s ALA 20 N 6.33 3.45 0.00 5.21 0.00 -1.26 -5.07 121.76 130.43 2kz5 s ALA 20 Ca 0.75 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2kz5 s ALA 20 Cb -0.21 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2kz5 s ALA 20 CO 0.33 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2kz5 n GLY 21 N 3.17 0.84 3.64 0.00 0.00 -1.26 -5.04 105.19 106.55 2kz5 n GLY 21 Ca -0.06 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.00 0.96 0.26 1.61 0.01 -1.26 -4.75 113.70 109.53 2kz5 s SER 22 Ca 0.00 0.43 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 2kz5 s SER 22 Cb 0.00 -0.53 0.49 0.00 0.21 0.00 0.00 66.02 66.19 2kz5 s SER 22 CO 0.00 -4.08 1.78 0.03 0.41 0.00 0.00 173.24 171.38 2kz5 h ARG 23 N -2.56 0.67 0.03 12.44 3.08 -2.00 -2.38 114.38 123.65 2kz5 h ARG 23 Ca -0.43 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 2kz5 h ARG 23 Cb 1.27 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2kz5 h ARG 23 CO 0.29 0.44 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.18 2kz5 h ASP 24 N 0.69 -0.03 -0.52 7.04 3.32 -2.01 -2.67 116.42 122.24 2kz5 h ASP 24 Ca 0.44 -0.20 0.14 0.00 0.02 0.00 0.00 57.03 57.43 2kz5 h ASP 24 Cb 0.56 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2kz5 h ASP 24 CO -0.32 0.19 0.37 -0.33 -1.72 0.00 0.00 179.24 177.42 2kz5 h GLU 25 N -0.25 0.05 -0.30 3.56 3.07 -1.81 -0.40 114.58 118.51 2kz5 h GLU 25 Ca -0.00 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.89 2kz5 h GLU 25 Cb 0.23 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2kz5 h GLU 25 CO 0.01 0.04 0.20 0.00 -1.40 0.00 0.00 179.01 177.85 2kz5 h ARG 26 N 0.06 0.25 -0.09 2.33 3.08 -1.07 -0.83 114.38 118.11 2kz5 h ARG 26 Ca 0.25 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 60.06 2kz5 h ARG 26 Cb 0.91 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.92 2kz5 h ARG 26 CO -0.02 0.17 -0.81 0.00 -1.07 0.00 0.00 179.97 178.24 2kz5 h ARG 27 N 0.26 0.71 -0.39 0.04 -0.00 -1.11 -2.47 114.38 111.43 2kz5 h ARG 27 Ca 0.12 -0.64 0.04 0.00 -0.50 0.00 0.00 59.98 59.00 2kz5 h ARG 27 Cb 0.17 0.15 -0.04 0.00 0.00 0.00 0.00 29.97 30.26 2kz5 h ARG 27 CO -0.02 1.25 0.16 0.00 0.00 0.00 0.00 179.97 181.36 2kz5 h ALA 28 N 0.48 0.47 0.00 0.04 0.00 -1.09 -1.43 119.26 117.72 2kz5 h ALA 28 Ca -0.08 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kz5 h ALA 28 Cb 1.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2kz5 h ALA 28 CO 0.16 -0.22 -0.28 1.37 0.00 0.00 0.00 179.25 180.29 2kz5 h LEU 29 N 0.34 0.00 -0.41 0.00 8.10 -1.30 0.33 115.31 122.37 2kz5 h LEU 29 Ca 0.17 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.10 2kz5 h LEU 29 Cb 0.12 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.32 2kz5 h LEU 29 CO -0.15 0.28 0.03 0.00 -4.11 0.00 0.00 178.44 174.49 2kz5 h ALA 30 N 1.72 0.54 -0.01 0.17 0.00 -0.90 -2.90 119.26 117.88 2kz5 h ALA 30 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kz5 h ALA 30 Cb 1.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2kz5 h ALA 30 CO 0.04 0.29 -0.19 -1.33 0.00 0.00 0.00 179.25 178.06 2kz5 n MET 31 N -4.47 1.29 -2.71 0.00 2.81 -0.60 -5.02 117.12 108.42 2kz5 n MET 31 Ca -0.01 -0.86 -0.06 0.00 -1.81 0.00 0.00 57.70 54.97 2kz5 n MET 31 Cb 0.26 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.30 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 -0.11 -2.40 -3.85 0.03 5.02 0.83 -5.00 118.16 112.68 2kz5 n LYS 32 Ca 0.14 2.12 -0.35 0.00 -2.02 0.00 0.00 58.31 58.20 2kz5 n LYS 32 Cb 0.39 -5.27 -0.09 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.27 5.06 -0.81 -0.18 -1.09 0.56 -4.98 121.20 117.48 2kz5 s ILE 33 Ca 0.18 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 2kz5 s ILE 33 Cb -0.05 -3.30 0.14 0.00 -1.58 0.00 0.00 42.46 37.67 2kz5 s ILE 33 CO 0.71 0.43 0.75 -0.81 -1.23 0.00 0.00 174.94 174.79 2kz5 n PRO 34 N 3.70 1.66 -3.71 2.79 -0.04 -1.26 -4.84 135.00 133.30 2kz5 n PRO 34 Ca -0.16 -0.55 -0.13 0.00 -0.04 0.00 0.00 63.50 62.61 2kz5 n PRO 34 Cb 0.52 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.26 -0.23 0.59 0.54 -0.12 -1.26 -5.17 117.98 111.07 2kz5 s PHE 35 Ca 0.10 0.27 -0.15 0.00 -0.05 0.00 0.00 56.93 57.09 2kz5 s PHE 35 Cb 0.07 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 2kz5 s PHE 35 CO 0.03 -0.48 1.05 -1.25 -0.05 0.00 0.00 175.22 174.51 2kz5 s PRO 36 N -1.88 3.38 0.32 1.99 0.04 -1.26 -4.97 135.00 132.61 2kz5 s PRO 36 Ca -0.09 1.15 0.04 0.00 0.04 0.00 0.00 61.00 62.13 2kz5 s PRO 36 Cb -0.03 -2.04 0.54 0.00 0.04 0.00 0.00 34.50 33.01 2kz5 s PRO 36 CO 0.01 -0.76 1.83 1.79 0.04 0.00 0.00 177.00 179.92 2kz5 h THR 37 N 0.41 1.22 -0.58 1.26 1.35 -1.99 -2.79 112.91 111.79 2kz5 h THR 37 Ca -0.47 -0.93 0.07 0.00 -0.55 0.00 0.00 66.41 64.54 2kz5 h THR 37 Cb 1.21 1.06 -0.06 0.00 -1.73 0.00 0.00 68.15 68.63 2kz5 h THR 37 CO 0.58 0.31 0.25 0.44 -0.25 0.00 0.00 175.52 176.85 2kz5 h ASP 38 N 0.49 0.30 -1.01 5.36 3.32 -2.00 -1.60 116.42 121.29 2kz5 h ASP 38 Ca 0.10 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.22 2kz5 h ASP 38 Cb 0.43 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 2kz5 h ASP 38 CO 0.02 0.19 0.67 0.50 -1.72 0.00 0.00 179.24 178.90 2kz5 h LYS 39 N 0.46 1.32 -0.20 3.56 3.64 -1.89 -0.43 116.57 123.04 2kz5 h LYS 39 Ca 0.28 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2kz5 h LYS 39 Cb 0.28 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2kz5 h LYS 39 CO -0.24 0.87 0.13 0.82 -2.27 0.00 0.00 179.45 178.76 2kz5 h ILE 40 N 1.36 1.00 0.00 2.00 2.04 -1.23 -2.81 117.51 119.88 2kz5 h ILE 40 Ca 0.37 -0.06 -0.13 0.00 1.00 0.00 0.00 64.86 66.04 2kz5 h ILE 40 Cb -0.14 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2kz5 h ILE 40 CO -0.09 0.03 -0.80 0.58 0.00 0.00 0.00 178.15 177.88 2kz5 h VAL 41 N 0.19 0.83 0.00 1.67 2.07 -0.76 -3.40 116.25 116.85 2kz5 h VAL 41 Ca 0.08 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.67 2kz5 h VAL 41 Cb 0.09 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2kz5 h VAL 41 CO -0.01 0.28 -0.14 0.78 0.02 0.00 0.00 177.57 178.50 2kz5 h ASN 42 N -1.00 0.00 -3.81 0.57 2.35 -1.16 -3.44 115.58 109.09 2kz5 h ASN 42 Ca -0.19 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.04 2kz5 h ASN 42 Cb 1.00 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.41 2kz5 h ASN 42 CO -0.12 0.14 0.57 -0.76 -1.65 0.00 0.00 177.43 175.61 2kz5 s LEU 43 N -6.57 4.48 0.82 1.61 1.43 -1.06 -5.03 118.68 114.36 2kz5 s LEU 43 Ca 0.01 2.48 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 2kz5 s LEU 43 Cb 0.10 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.77 2kz5 s LEU 43 CO 0.61 -0.36 1.10 -2.16 0.23 0.00 0.00 176.35 175.77 2kz5 s PRO 44 N -1.49 1.86 0.37 1.29 0.04 -1.26 -4.66 135.00 131.15 2kz5 s PRO 44 Ca 0.48 1.21 0.17 0.00 0.04 0.00 0.00 61.00 62.89 2kz5 s PRO 44 Cb -0.36 -1.85 1.07 0.00 0.04 0.00 0.00 34.50 33.40 2kz5 s PRO 44 CO 0.46 -1.93 1.73 -0.24 0.04 0.00 0.00 177.00 177.06 2kz5 h VAL 45 N -1.34 0.46 0.78 -0.36 3.04 -1.96 0.14 116.25 117.01 2kz5 h VAL 45 Ca -0.44 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.07 2kz5 h VAL 45 Cb 1.24 0.02 0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2kz5 h VAL 45 CO 0.50 0.07 -0.38 0.44 -1.01 0.00 0.00 177.57 177.19 2kz5 h ASP 46 N 0.41 -0.90 -0.03 3.17 3.32 -2.00 -0.43 116.42 119.97 2kz5 h ASP 46 Ca 0.65 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.74 2kz5 h ASP 46 Cb 1.55 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.33 2kz5 h ASP 46 CO -0.40 -0.64 0.03 0.44 -1.72 0.00 0.00 179.24 176.95 2kz5 h ASP 47 N -1.06 0.00 0.02 6.45 5.19 -1.64 -0.35 116.42 125.04 2kz5 h ASP 47 Ca -0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2kz5 h ASP 47 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2kz5 h ASP 47 CO 0.17 0.00 -0.01 0.15 -3.12 0.00 0.00 179.24 176.43 2kz5 h PHE 48 N 0.00 -0.03 -0.84 4.55 3.57 -0.54 0.39 116.94 124.04 2kz5 h PHE 48 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kz5 h PHE 48 Cb 0.07 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2kz5 h PHE 48 CO 0.00 0.36 0.49 -0.91 -2.23 0.00 0.00 178.31 176.02 2kz5 h ASN 49 N -0.42 1.02 0.07 0.41 2.35 -0.30 -1.86 115.58 116.85 2kz5 h ASN 49 Ca -0.00 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 2kz5 h ASN 49 Cb 0.40 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2kz5 h ASN 49 CO 0.01 0.80 -0.35 -0.33 -1.65 0.00 0.00 177.43 175.90 2kz5 h GLU 50 N 1.17 0.39 -0.57 0.81 5.08 -1.05 -3.12 114.58 117.29 2kz5 h GLU 50 Ca 0.30 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 2kz5 h GLU 50 Cb -0.02 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 2kz5 h GLU 50 CO -0.05 0.69 0.25 1.25 -1.00 0.00 0.00 179.01 180.15 2kz5 h LEU 51 N 0.34 0.32 -1.61 1.33 5.85 0.62 0.40 115.31 122.56 2kz5 h LEU 51 Ca 0.04 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2kz5 h LEU 51 Cb 0.78 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2kz5 h LEU 51 CO 0.06 0.21 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.09 2kz5 h LEU 52 N 0.47 0.00 0.00 2.25 3.38 -1.43 -2.39 115.31 117.59 2kz5 h LEU 52 Ca 0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 2kz5 h LEU 52 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2kz5 h LEU 52 CO -0.23 0.21 -1.32 0.00 0.09 0.00 0.00 178.44 177.19 2kz5 h ALA 53 N 1.79 0.65 0.20 1.53 0.00 -1.10 -3.39 119.26 118.93 2kz5 h ALA 53 Ca -0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 54.91 53.86 2kz5 h ALA 53 Cb 0.46 0.24 0.03 0.00 0.00 0.00 0.00 17.79 18.51 2kz5 h ALA 53 CO 0.03 0.86 -1.19 0.00 0.00 0.00 0.00 179.25 178.95 2kz5 h ARG 54 N 0.00 0.41 -5.49 0.00 3.08 -0.03 -3.45 114.38 108.91 2kz5 h ARG 54 Ca -0.14 -0.71 -0.59 0.00 0.07 0.00 0.00 59.98 58.61 2kz5 h ARG 54 Cb 1.55 0.26 -0.10 0.00 0.08 0.00 0.00 29.97 31.76 2kz5 h ARG 54 CO 0.05 1.34 -0.27 0.71 -1.07 0.00 0.00 179.97 180.72 2kz5 s TYR 55 N -2.51 3.44 -0.35 3.04 1.51 -0.92 -5.03 117.35 116.52 2kz5 s TYR 55 Ca -0.12 0.62 -0.27 0.00 -1.01 0.00 0.00 57.07 56.29 2kz5 s TYR 55 Cb 0.03 -2.42 -0.05 0.00 -0.11 0.00 0.00 41.96 39.40 2kz5 s TYR 55 CO 0.88 0.15 2.23 -2.14 -1.11 0.00 0.00 175.55 175.56 2kz5 s PRO 56 N 0.76 2.73 0.06 -1.71 0.02 -1.26 -4.82 135.00 130.78 2kz5 s PRO 56 Ca 0.18 1.66 0.04 0.00 0.02 0.00 0.00 61.00 62.90 2kz5 s PRO 56 Cb -0.14 -4.44 -0.03 0.00 0.02 0.00 0.00 34.50 29.92 2kz5 s PRO 56 CO 0.06 -2.56 -0.11 -0.51 -0.33 0.00 0.00 177.00 173.55 2kz5 s LEU 57 N 9.69 2.28 0.52 -5.54 1.43 -1.26 -5.00 118.68 120.79 2kz5 s LEU 57 Ca 0.96 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 2kz5 s LEU 57 Cb -0.25 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 2kz5 s LEU 57 CO 0.31 -0.15 0.92 0.42 0.23 0.00 0.00 176.35 178.08 2kz5 s THR 58 N -1.41 4.71 0.31 5.49 -4.23 -1.26 -4.84 115.64 114.41 2kz5 s THR 58 Ca -0.05 0.80 0.08 0.00 -1.18 0.00 0.00 61.69 61.34 2kz5 s THR 58 Cb -0.09 -3.80 0.31 0.00 1.34 0.00 0.00 72.50 70.25 2kz5 s THR 58 CO 0.01 -0.84 1.75 -0.33 -0.54 0.00 0.00 174.62 174.67 2kz5 h GLU 59 N 0.44 0.64 -0.59 3.99 4.39 -2.01 0.55 114.58 121.98 2kz5 h GLU 59 Ca -0.46 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 2kz5 h GLU 59 Cb 1.19 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 2kz5 h GLU 59 CO 0.62 0.42 0.30 0.77 -1.16 0.00 0.00 179.01 179.96 2kz5 h SER 60 N 0.66 0.74 -0.22 1.42 0.02 -1.99 -1.48 113.55 112.70 2kz5 h SER 60 Ca 0.62 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.38 2kz5 h SER 60 Cb 1.09 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2kz5 h SER 60 CO -0.44 0.62 -0.35 1.56 -1.14 0.00 0.00 176.83 177.08 2kz5 h GLN 61 N 0.83 0.63 -0.33 3.45 4.20 -0.31 -1.59 115.11 121.98 2kz5 h GLN 61 Ca 0.21 -0.38 0.03 0.00 0.06 0.00 0.00 58.65 58.57 2kz5 h GLN 61 Cb 0.07 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2kz5 h GLN 61 CO -0.03 1.00 0.14 -0.07 -0.67 0.00 0.00 178.83 179.20 2kz5 h LEU 62 N 0.32 0.19 -1.12 1.46 4.07 -1.01 -0.69 115.31 118.53 2kz5 h LEU 62 Ca 0.02 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.05 2kz5 h LEU 62 Cb 0.94 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.62 2kz5 h LEU 62 CO 0.08 0.15 0.60 0.00 -1.08 0.00 0.00 178.44 178.19 2kz5 h ALA 63 N 1.19 1.44 0.05 1.53 0.00 -1.25 -2.28 119.26 119.94 2kz5 h ALA 63 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kz5 h ALA 63 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2kz5 h ALA 63 CO -0.12 0.45 -0.02 1.25 0.00 0.00 0.00 179.25 180.81 2kz5 h LEU 64 N 1.11 -0.05 -0.99 0.00 5.85 -0.69 -2.27 115.31 118.28 2kz5 h LEU 64 Ca 0.37 -0.14 0.15 0.00 0.84 0.00 0.00 57.88 59.11 2kz5 h LEU 64 Cb 0.07 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 2kz5 h LEU 64 CO -0.12 0.10 0.61 0.58 -0.34 0.00 0.00 178.44 179.27 2kz5 h VAL 65 N -0.20 0.81 -0.36 1.05 2.07 -0.79 0.72 116.25 119.54 2kz5 h VAL 65 Ca -0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2kz5 h VAL 65 Cb 0.18 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 2kz5 h VAL 65 CO 0.01 0.16 0.19 0.03 0.02 0.00 0.00 177.57 177.98 2kz5 h ARG 66 N 0.86 0.51 -0.92 1.57 3.08 -1.30 -1.33 114.38 116.85 2kz5 h ARG 66 Ca 0.53 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.55 2kz5 h ARG 66 Cb 0.69 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 2kz5 h ARG 66 CO -0.33 0.43 0.60 0.22 -1.07 0.00 0.00 179.97 179.82 2kz5 h ASP 67 N 0.46 0.99 -0.54 7.04 3.58 -0.45 -1.09 116.42 126.42 2kz5 h ASP 67 Ca 0.13 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 2kz5 h ASP 67 Cb 0.08 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2kz5 h ASP 67 CO -0.02 0.68 0.08 0.40 -2.88 0.00 0.00 179.24 177.50 2kz5 h ILE 68 N 1.16 1.25 -0.46 2.25 2.04 -0.65 -1.93 117.51 121.16 2kz5 h ILE 68 Ca 0.37 -0.97 -0.14 0.00 1.00 0.00 0.00 64.86 65.12 2kz5 h ILE 68 Cb 0.01 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2kz5 h ILE 68 CO -0.12 0.36 -0.25 -0.09 0.00 0.00 0.00 178.15 178.05 2kz5 h ARG 69 N 0.88 0.98 -0.73 2.37 2.43 -0.68 0.12 114.38 119.76 2kz5 h ARG 69 Ca 0.18 -0.44 0.04 0.00 -0.81 0.00 0.00 59.98 58.95 2kz5 h ARG 69 Cb 0.40 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2kz5 h ARG 69 CO 0.01 1.11 0.48 -0.09 -1.51 0.00 0.00 179.97 179.98 2kz5 h ARG 70 N 0.83 0.85 0.45 0.20 9.65 -1.01 0.24 114.38 125.59 2kz5 h ARG 70 Ca 0.10 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.91 2kz5 h ARG 70 Cb 0.83 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2kz5 h ARG 70 CO 0.07 0.56 -0.22 0.00 2.80 0.00 0.00 179.97 183.19 2kz5 h ARG 71 N 0.88 -0.59 -0.40 0.20 2.47 -1.05 -3.06 114.38 112.83 2kz5 h ARG 71 Ca 0.30 0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.03 2kz5 h ARG 71 Cb 0.08 0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 2kz5 h ARG 71 CO -0.09 -0.39 0.16 0.78 0.56 0.00 0.00 179.97 180.99 2kz5 h GLY 72 N -0.95 0.64 1.59 0.04 0.00 -0.65 -1.07 103.07 102.67 2kz5 h GLY 72 Ca -0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 2kz5 h GLY 72 CO 0.10 0.33 -0.25 1.70 0.00 0.00 0.00 176.54 178.42 2kz5 h LYS 73 N 0.50 0.48 -0.43 4.80 1.63 -0.71 -1.23 116.57 121.61 2kz5 h LYS 73 Ca 0.13 -0.18 -0.11 0.00 -0.85 0.00 0.00 60.65 59.65 2kz5 h LYS 73 Cb 0.18 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2kz5 h LYS 73 CO -0.01 0.69 -0.16 -0.97 -3.45 0.00 0.00 179.45 175.55 2kz5 h ASN 74 N 0.42 0.82 -0.14 4.20 -1.24 -1.41 0.29 115.58 118.52 2kz5 h ASN 74 Ca 0.06 -0.27 0.03 0.00 0.71 0.00 0.00 56.30 56.83 2kz5 h ASN 74 Cb 0.66 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.46 2kz5 h ASN 74 CO 0.05 0.97 -0.03 0.50 -1.29 0.00 0.00 177.43 177.63 2kz5 h LYS 75 N 0.73 0.00 0.00 6.67 3.11 -0.46 -1.19 116.57 125.42 2kz5 h LYS 75 Ca 0.11 -0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.83 2kz5 h LYS 75 Cb 0.66 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.87 2kz5 h LYS 75 CO 0.05 0.00 -0.59 -0.24 -2.81 0.00 0.00 179.45 175.86 2kz5 h VAL 76 N 0.00 1.19 -0.95 2.00 3.04 -1.18 -3.13 116.25 117.23 2kz5 h VAL 76 Ca 0.06 -2.19 0.00 0.00 -1.01 0.00 0.00 66.70 63.57 2kz5 h VAL 76 Cb 0.10 2.26 -0.05 0.00 -2.01 0.00 0.00 31.29 31.59 2kz5 h VAL 76 CO -0.14 0.57 0.61 0.00 -1.01 0.00 0.00 177.57 177.60 2kz5 h ALA 77 N 1.41 1.20 -0.17 3.17 0.00 -0.03 0.64 119.26 125.47 2kz5 h ALA 77 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2kz5 h ALA 77 Cb 1.22 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kz5 h ALA 77 CO 0.08 0.62 0.12 0.00 0.00 0.00 0.00 179.25 180.06 2kz5 h ALA 78 N 1.33 2.03 0.00 0.00 0.00 -1.17 0.18 119.26 121.64 2kz5 h ALA 78 Ca 0.34 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 2kz5 h ALA 78 Cb -0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kz5 h ALA 78 CO -0.07 -0.07 -0.83 1.96 0.00 0.00 0.00 179.25 180.25 2kz5 h GLN 79 N 0.10 0.00 -0.78 0.00 4.20 -1.23 -3.37 115.11 114.04 2kz5 h GLN 79 Ca 0.08 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.27 2kz5 h GLN 79 Cb 0.17 0.00 -0.43 0.00 0.30 0.00 0.00 27.48 27.53 2kz5 h GLN 79 CO -0.01 0.75 -0.85 0.09 -0.67 0.00 0.00 178.83 178.13 2kz5 n ASN 80 N -3.27 4.46 0.02 1.46 3.02 0.08 -4.75 115.26 116.27 2kz5 n ASN 80 Ca -0.00 -3.52 -0.13 0.00 -0.03 0.00 0.00 54.58 50.89 2kz5 n ASN 80 Cb 0.85 -0.37 -0.14 0.00 -0.61 0.00 0.00 39.78 39.52 2kz5 n ASN 80 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2kz5 h TYR 81 N 2.27 0.22 -0.78 3.10 3.20 -0.87 -3.43 116.97 120.69 2kz5 h TYR 81 Ca 0.30 -0.16 -0.49 0.00 3.14 0.00 0.00 58.73 61.52 2kz5 h TYR 81 Cb 1.45 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.65 2kz5 h TYR 81 CO 0.80 1.25 1.46 1.03 -1.64 0.00 0.00 178.16 181.07 2kz5 s ARG 82 N -2.61 3.21 0.07 1.82 1.81 -1.26 -4.89 118.95 117.11 2kz5 s ARG 82 Ca -0.09 -1.26 -0.15 0.00 -1.72 0.00 0.00 55.73 52.52 2kz5 s ARG 82 Cb 0.08 -5.33 0.02 0.00 -0.45 0.00 0.00 34.95 29.27 2kz5 s ARG 82 CO 0.82 -2.95 0.34 -1.59 -0.68 0.00 0.00 175.30 171.24 2kz5 s LYS 83 N 5.54 0.92 -1.81 3.54 0.00 -1.26 -4.92 119.74 121.74 2kz5 s LYS 83 Ca 0.59 -0.60 0.00 0.00 0.00 0.00 0.00 55.97 55.96 2kz5 s LYS 83 Cb -0.00 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.23 2kz5 s LYS 83 CO 0.04 -0.32 0.00 0.54 0.00 0.00 0.00 175.35 175.61 2kz5 n ARG 84 N 0.23 -1.48 -3.66 1.78 5.12 -1.26 -4.94 116.66 112.44 2kz5 n ARG 84 Ca -0.17 1.01 -0.39 0.00 -1.93 0.00 0.00 57.85 56.37 2kz5 n ARG 84 Cb 0.61 -5.40 -0.11 0.00 -1.16 0.00 0.00 32.46 26.40 2kz5 n ARG 84 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2kz5 s LYS 85 N -3.79 2.60 0.00 5.56 -0.14 -1.26 -5.09 119.74 117.61 2kz5 s LYS 85 Ca 0.00 -1.34 0.00 0.00 -1.36 0.00 0.00 55.97 53.27 2kz5 s LYS 85 Cb 0.00 -3.65 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 2kz5 s LYS 85 CO 0.00 -0.83 0.00 1.28 -0.76 0.00 0.00 175.35 175.04 2kz5 n LEU 86 N 4.87 0.00 -4.73 3.17 4.77 -1.26 -5.01 117.00 118.81 2kz5 n LEU 86 Ca -0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 2kz5 n LEU 86 Cb 0.44 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 2kz5 n LEU 86 CO 0.36 -0.12 1.00 1.21 -1.33 0.00 0.00 177.39 178.51 2kz5 n GLU 87 N -0.24 2.23 -2.14 3.23 2.13 -1.26 -4.88 120.64 119.71 2kz5 n GLU 87 Ca 0.00 0.79 -0.41 0.00 0.66 0.00 0.00 57.16 58.20 2kz5 n GLU 87 Cb 0.00 -2.51 -0.03 0.00 0.27 0.00 0.00 31.44 29.17 2kz5 n GLU 87 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2kz5 s THR 88 N -1.16 3.54 0.57 6.31 2.01 -1.26 -4.99 115.64 120.66 2kz5 s THR 88 Ca 0.58 0.45 -0.10 0.00 0.31 0.00 0.00 61.69 62.94 2kz5 s THR 88 Cb -0.50 -4.00 0.14 0.00 0.01 0.00 0.00 72.50 68.16 2kz5 s THR 88 CO 0.60 -0.82 0.55 2.30 -0.69 0.00 0.00 174.62 176.56 2kz5 n ILE 89 N 7.17 0.00 -2.04 1.82 -5.35 -1.26 -4.90 119.36 114.79 2kz5 n ILE 89 Ca 0.19 -0.28 -0.38 0.00 -0.27 0.00 0.00 62.75 62.01 2kz5 n ILE 89 Cb 0.49 -1.23 -0.03 0.00 -1.74 0.00 0.00 39.64 37.13 2kz5 n ILE 89 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2kz5 s VAL 90 N -2.05 3.36 -0.94 7.28 1.01 -1.26 -5.28 120.40 122.52 2kz5 s VAL 90 Ca 0.35 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2kz5 s VAL 90 Cb -0.03 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2kz5 s VAL 90 CO 0.26 -0.92 0.23 0.00 0.00 0.00 0.00 175.10 174.68