#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 0.49 -0.64 3.03 0.00 -1.26 -5.10 107.32 103.85 2kz5 s GLY 2 Ca 0.00 -1.76 -0.27 0.00 0.00 0.00 0.00 44.72 42.69 2kz5 s GLY 2 CO 0.00 2.52 1.53 -2.38 0.00 0.00 0.00 173.10 174.77 2kz5 s HIS 3 N 0.54 2.05 -0.58 1.90 0.00 -1.26 -4.97 115.29 112.97 2kz5 s HIS 3 Ca 0.28 0.40 -0.28 0.00 -3.00 0.00 0.00 55.06 52.46 2kz5 s HIS 3 Cb -0.03 -4.36 0.02 0.00 -4.00 0.00 0.00 32.58 24.21 2kz5 s HIS 3 CO -0.12 -2.16 1.36 -1.01 -1.00 0.00 0.00 174.74 171.82 2kz5 s HIS 4 N 7.04 2.34 -0.27 0.38 0.09 -1.26 -4.98 115.29 118.63 2kz5 s HIS 4 Ca 0.52 0.41 0.03 0.00 -0.00 0.00 0.00 55.06 56.02 2kz5 s HIS 4 Cb -0.11 -4.44 0.06 0.00 -0.00 0.00 0.00 32.58 28.10 2kz5 s HIS 4 CO 0.20 -1.91 -0.09 -1.58 -0.00 0.00 0.00 174.74 171.36 2kz5 s HIS 5 N 5.84 3.30 0.05 1.40 5.65 -1.26 -5.11 115.29 125.17 2kz5 s HIS 5 Ca 0.49 -2.39 0.01 0.00 0.25 0.00 0.00 55.06 53.42 2kz5 s HIS 5 Cb -0.10 -2.04 -0.03 0.00 -1.18 0.00 0.00 32.58 29.24 2kz5 s HIS 5 CO 0.24 -0.89 -0.06 -3.38 -0.65 0.00 0.00 174.74 170.00 2kz5 s HIS 6 N 1.08 0.64 -0.28 3.88 0.00 -1.26 -5.16 115.29 114.20 2kz5 s HIS 6 Ca -0.07 -0.65 -0.22 0.00 -3.00 0.00 0.00 55.06 51.12 2kz5 s HIS 6 Cb -0.20 -0.39 0.08 0.00 -4.00 0.00 0.00 32.58 28.07 2kz5 s HIS 6 CO -0.05 -0.14 0.77 -3.38 -1.00 0.00 0.00 174.74 170.93 2kz5 s HIS 7 N -2.13 -0.81 -0.29 0.38 0.00 -1.26 -5.14 115.29 106.03 2kz5 s HIS 7 Ca -0.04 1.83 -0.00 0.00 -3.00 0.00 0.00 55.06 53.85 2kz5 s HIS 7 Cb -0.05 0.39 0.09 0.00 -4.00 0.00 0.00 32.58 29.01 2kz5 s HIS 7 CO -0.02 -0.39 0.06 -1.01 -1.00 0.00 0.00 174.74 172.37 2kz5 s HIS 8 N 0.76 2.06 0.54 0.38 0.09 -1.26 -5.13 115.29 112.73 2kz5 s HIS 8 Ca -0.03 -1.83 -0.09 0.00 -0.00 0.00 0.00 55.06 53.11 2kz5 s HIS 8 Cb -0.05 -1.80 -0.04 0.00 -0.00 0.00 0.00 32.58 30.69 2kz5 s HIS 8 CO -0.07 -0.84 0.91 -1.12 -0.00 0.00 0.00 174.74 173.62 2kz5 s SER 9 N 1.50 6.28 -0.30 1.40 0.01 -1.26 -5.07 113.70 116.26 2kz5 s SER 9 Ca 0.06 1.21 0.02 0.00 1.31 0.00 0.00 55.95 58.55 2kz5 s SER 9 Cb -0.18 -2.37 0.09 0.00 0.21 0.00 0.00 66.02 63.77 2kz5 s SER 9 CO -0.17 -0.70 0.02 -1.00 0.41 0.00 0.00 173.24 171.80 2kz5 s HIS 10 N -2.92 2.89 0.11 2.43 0.09 -1.26 -5.11 115.29 111.52 2kz5 s HIS 10 Ca 0.52 -2.34 0.03 0.00 -0.00 0.00 0.00 55.06 53.26 2kz5 s HIS 10 Cb -0.11 -2.23 -0.04 0.00 -0.00 0.00 0.00 32.58 30.21 2kz5 s HIS 10 CO 0.48 -0.88 -0.08 1.41 -0.00 0.00 0.00 174.74 175.66 2kz5 s MET 11 N 1.21 0.87 -0.21 1.40 -2.45 -1.26 -5.00 119.30 113.87 2kz5 s MET 11 Ca 0.05 -1.29 -0.06 0.00 -1.25 0.00 0.00 55.69 53.14 2kz5 s MET 11 Cb -0.19 -0.36 0.01 0.00 1.25 0.00 0.00 34.83 35.54 2kz5 s MET 11 CO -0.12 0.03 0.21 0.00 1.05 0.00 0.00 175.02 176.19 2kz5 n ALA 12 N 0.12 -3.10 -2.74 4.11 0.00 -1.26 -5.06 120.51 112.58 2kz5 n ALA 12 Ca -0.13 0.51 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 2kz5 n ALA 12 Cb 0.60 -1.51 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.51 3.07 -0.38 0.00 1.02 -1.26 -5.04 119.74 115.63 2kz5 s LYS 13 Ca 0.09 -0.39 -0.27 0.00 0.02 0.00 0.00 55.97 55.41 2kz5 s LYS 13 Cb -0.02 -2.87 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 2kz5 s LYS 13 CO 0.42 0.70 2.34 -1.25 -0.92 0.00 0.00 175.35 176.63 2kz5 s PRO 14 N -1.18 2.52 -0.43 -1.68 0.04 -1.26 -4.93 135.00 128.08 2kz5 s PRO 14 Ca 0.16 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 2kz5 s PRO 14 Cb -0.12 -4.50 0.03 0.00 0.04 0.00 0.00 34.50 29.96 2kz5 s PRO 14 CO 0.06 -2.80 0.34 0.99 0.04 0.00 0.00 177.00 175.62 2kz5 s THR 15 N 10.64 5.23 -0.10 1.26 2.01 -1.26 -5.05 115.64 128.38 2kz5 s THR 15 Ca 0.99 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 2kz5 s THR 15 Cb -0.24 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2kz5 s THR 15 CO 0.30 -0.39 1.34 0.00 -0.69 0.00 0.00 174.62 175.18 2kz5 s ALA 16 N 1.72 3.61 0.25 7.40 0.00 -1.26 -5.03 121.76 128.45 2kz5 s ALA 16 Ca 0.06 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.71 2kz5 s ALA 16 Cb -0.20 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 2kz5 s ALA 16 CO 0.10 -1.09 0.37 0.50 0.00 0.00 0.00 175.76 175.63 2kz5 s ARG 17 N 3.15 3.41 1.05 0.00 3.52 -1.26 -5.10 118.95 123.71 2kz5 s ARG 17 Ca 0.60 -0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 55.30 2kz5 s ARG 17 Cb -0.26 -2.88 0.22 0.00 -1.56 0.00 0.00 34.95 30.47 2kz5 s ARG 17 CO 0.21 0.40 1.08 0.20 -0.81 0.00 0.00 175.30 176.38 2kz5 s GLY 18 N -3.99 1.61 -0.31 8.12 0.00 -1.26 -4.95 107.32 106.54 2kz5 s GLY 18 Ca 0.35 0.22 -0.26 0.00 0.00 0.00 0.00 44.72 45.03 2kz5 s GLY 18 CO 0.29 0.80 0.94 -0.54 0.00 0.00 0.00 173.10 174.60 2kz5 s GLU 19 N -4.54 4.03 -0.19 2.90 2.02 -1.26 -5.01 118.70 116.64 2kz5 s GLU 19 Ca 0.68 0.86 -0.05 0.00 0.02 0.00 0.00 54.97 56.48 2kz5 s GLU 19 Cb -0.24 -3.73 0.07 0.00 0.10 0.00 0.00 34.13 30.33 2kz5 s GLU 19 CO 0.62 -0.79 0.09 0.00 0.02 0.00 0.00 175.26 175.20 2kz5 s ALA 20 N 3.31 0.52 -0.51 5.21 0.00 -1.26 -5.03 121.76 124.00 2kz5 s ALA 20 Ca 0.39 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.91 2kz5 s ALA 20 Cb -0.13 -1.10 0.58 0.00 0.00 0.00 0.00 23.12 22.47 2kz5 s ALA 20 CO 0.14 -1.25 1.91 0.41 0.00 0.00 0.00 175.76 176.97 2kz5 n GLY 21 N 5.25 5.03 3.81 0.00 0.00 -1.26 -4.77 105.19 113.24 2kz5 n GLY 21 Ca -0.07 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.62 7.08 0.19 1.61 0.01 -1.26 -4.96 113.70 114.75 2kz5 s SER 22 Ca 0.59 1.57 -0.18 0.00 1.31 0.00 0.00 55.95 59.23 2kz5 s SER 22 Cb 0.48 -2.48 0.16 0.00 0.21 0.00 0.00 66.02 64.40 2kz5 s SER 22 CO 0.06 -0.10 1.60 0.03 0.41 0.00 0.00 173.24 175.24 2kz5 h ARG 23 N 2.91 -0.11 -0.72 12.44 3.08 -2.01 -0.84 114.38 129.13 2kz5 h ARG 23 Ca -0.48 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.59 2kz5 h ARG 23 Cb 1.19 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.23 2kz5 h ARG 23 CO 0.64 -0.07 0.48 -0.44 -1.07 0.00 0.00 179.97 179.51 2kz5 h ASP 24 N -0.11 0.83 -0.75 7.04 5.19 -2.00 -2.69 116.42 123.93 2kz5 h ASP 24 Ca 0.26 -0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.70 2kz5 h ASP 24 Cb 0.52 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 39.77 2kz5 h ASP 24 CO -0.65 0.60 0.49 -0.33 -3.12 0.00 0.00 179.24 176.24 2kz5 h GLU 25 N 0.98 0.80 -0.01 3.56 4.39 -1.53 -0.82 114.58 121.95 2kz5 h GLU 25 Ca 0.26 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2kz5 h GLU 25 Cb -0.11 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.36 2kz5 h GLU 25 CO -0.06 0.53 0.01 0.00 -1.16 0.00 0.00 179.01 178.33 2kz5 h ARG 26 N 0.82 0.00 0.14 2.33 3.08 -0.98 -0.97 114.38 118.80 2kz5 h ARG 26 Ca 0.32 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.12 2kz5 h ARG 26 Cb 0.20 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.28 2kz5 h ARG 26 CO -0.10 0.00 -1.06 0.00 -1.07 0.00 0.00 179.97 177.74 2kz5 h ARG 27 N 0.00 0.47 0.24 0.04 2.47 -1.22 -3.19 114.38 113.20 2kz5 h ARG 27 Ca 0.00 -0.69 0.01 0.00 -1.26 0.00 0.00 59.98 58.04 2kz5 h ARG 27 Cb 0.02 0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2kz5 h ARG 27 CO -0.00 1.31 -0.28 0.00 0.56 0.00 0.00 179.97 181.56 2kz5 h ALA 28 N 0.19 -0.57 0.00 0.04 0.00 -0.57 -1.88 119.26 116.47 2kz5 h ALA 28 Ca -0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2kz5 h ALA 28 Cb 1.80 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 2kz5 h ALA 28 CO 0.20 -0.86 -0.08 1.37 0.00 0.00 0.00 179.25 179.88 2kz5 h LEU 29 N -0.57 0.00 -0.02 0.00 8.10 -1.38 0.13 115.31 121.56 2kz5 h LEU 29 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 2kz5 h LEU 29 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.76 2kz5 h LEU 29 CO -0.09 0.08 -0.04 0.00 -4.11 0.00 0.00 178.44 174.29 2kz5 h ALA 30 N 1.92 0.03 -0.15 0.17 0.00 -1.39 -3.18 119.26 116.66 2kz5 h ALA 30 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2kz5 h ALA 30 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kz5 h ALA 30 CO 0.01 -0.15 0.00 -1.33 0.00 0.00 0.00 179.25 177.78 2kz5 n MET 31 N -4.76 1.46 -2.72 0.00 2.81 -0.76 -4.95 117.12 108.20 2kz5 n MET 31 Ca -0.08 -0.70 -0.01 0.00 -1.81 0.00 0.00 57.70 55.09 2kz5 n MET 31 Cb 0.31 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 -0.02 -1.25 -3.78 0.03 5.02 -0.62 -4.93 118.16 112.61 2kz5 n LYS 32 Ca 0.12 1.42 -0.37 0.00 -2.02 0.00 0.00 58.31 57.46 2kz5 n LYS 32 Cb 0.20 -4.94 -0.13 0.00 -0.02 0.00 0.00 35.03 30.15 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 -2.85 3.95 0.08 -0.18 -1.09 0.36 -5.00 121.20 116.48 2kz5 s ILE 33 Ca 0.04 -0.59 0.22 0.00 -2.23 0.00 0.00 60.65 58.09 2kz5 s ILE 33 Cb -0.01 -2.99 0.20 0.00 -1.58 0.00 0.00 42.46 38.08 2kz5 s ILE 33 CO 0.61 0.16 1.75 1.55 -1.23 0.00 0.00 174.94 177.78 2kz5 h PRO 34 N 8.22 0.00 -5.81 2.79 0.13 -1.96 -3.43 132.00 131.94 2kz5 h PRO 34 Ca -0.34 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.13 2kz5 h PRO 34 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 2kz5 h PRO 34 CO 0.60 0.28 -0.54 -0.59 -0.23 0.00 0.00 178.00 177.52 2kz5 s PHE 35 N -3.54 3.41 0.45 1.56 -0.12 -1.26 -5.08 117.98 113.39 2kz5 s PHE 35 Ca 0.01 0.37 -0.25 0.00 -0.05 0.00 0.00 56.93 57.01 2kz5 s PHE 35 Cb 0.10 -1.86 -0.08 0.00 -0.63 0.00 0.00 43.02 40.55 2kz5 s PHE 35 CO 0.66 0.62 1.31 -1.25 -0.05 0.00 0.00 175.22 176.51 2kz5 s PRO 36 N -1.12 3.75 0.26 1.99 0.04 -1.26 -4.91 135.00 133.75 2kz5 s PRO 36 Ca 0.16 2.15 -0.04 0.00 0.04 0.00 0.00 61.00 63.31 2kz5 s PRO 36 Cb -0.12 -2.60 0.35 0.00 0.04 0.00 0.00 34.50 32.18 2kz5 s PRO 36 CO 0.05 -0.67 1.90 1.79 0.04 0.00 0.00 177.00 180.11 2kz5 h THR 37 N 2.17 1.15 -0.52 1.26 1.35 -1.96 -1.80 112.91 114.56 2kz5 h THR 37 Ca -0.50 -0.43 0.10 0.00 -0.55 0.00 0.00 66.41 65.03 2kz5 h THR 37 Cb 1.26 -0.20 -0.08 0.00 -1.73 0.00 0.00 68.15 67.40 2kz5 h THR 37 CO 0.61 0.23 0.08 0.44 -0.25 0.00 0.00 175.52 176.62 2kz5 h ASP 38 N 1.24 -0.06 -0.63 5.36 5.19 -1.99 -1.60 116.42 123.93 2kz5 h ASP 38 Ca 0.41 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 2kz5 h ASP 38 Cb 0.05 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 2kz5 h ASP 38 CO -0.14 -0.01 0.40 0.50 -3.12 0.00 0.00 179.24 176.88 2kz5 h LYS 39 N 0.21 0.84 -0.95 3.56 3.64 -1.72 -0.02 116.57 122.13 2kz5 h LYS 39 Ca 0.27 -0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.77 2kz5 h LYS 39 Cb 0.38 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 31.93 2kz5 h LYS 39 CO -0.37 0.57 0.61 0.82 -2.27 0.00 0.00 179.45 178.81 2kz5 h ILE 40 N 0.85 0.72 0.12 2.00 2.04 -0.82 -1.01 117.51 121.41 2kz5 h ILE 40 Ca 0.23 -0.21 -0.17 0.00 1.00 0.00 0.00 64.86 65.71 2kz5 h ILE 40 Cb -0.07 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.08 2kz5 h ILE 40 CO -0.05 0.11 -0.77 0.58 0.00 0.00 0.00 178.15 178.02 2kz5 h VAL 41 N 0.61 1.49 0.00 1.67 2.07 -0.72 -3.33 116.25 118.03 2kz5 h VAL 41 Ca 0.51 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.54 2kz5 h VAL 41 Cb 0.98 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 2kz5 h VAL 41 CO -0.26 0.69 0.00 0.59 0.02 0.00 0.00 177.57 178.61 2kz5 n ASN 42 N -4.18 0.00 -4.80 0.57 3.02 -0.08 -4.69 115.26 105.11 2kz5 n ASN 42 Ca -0.15 0.08 -0.37 0.00 -0.03 0.00 0.00 54.58 54.11 2kz5 n ASN 42 Cb 0.78 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 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 -2.63 4.40 0.92 3.41 1.43 -0.43 -5.06 118.68 120.73 2kz5 s LEU 43 Ca 0.17 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 2kz5 s LEU 43 Cb 0.13 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.86 2kz5 s LEU 43 CO 0.29 0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.86 2kz5 s PRO 44 N -1.81 1.05 0.26 1.29 0.04 -1.26 -4.78 135.00 129.79 2kz5 s PRO 44 Ca 0.43 0.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 2kz5 s PRO 44 Cb -0.19 -1.81 0.45 0.00 0.04 0.00 0.00 34.50 33.00 2kz5 s PRO 44 CO 0.23 -2.32 1.82 -0.24 0.04 0.00 0.00 177.00 176.53 2kz5 h VAL 45 N -1.59 0.91 0.66 -0.36 3.04 -1.97 0.22 116.25 117.16 2kz5 h VAL 45 Ca -0.51 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 64.85 2kz5 h VAL 45 Cb 1.31 -0.03 0.01 0.00 -2.01 0.00 0.00 31.29 30.57 2kz5 h VAL 45 CO 0.58 0.16 -0.32 -0.78 -1.01 0.00 0.00 177.57 176.20 2kz5 h ASP 46 N 0.86 -0.75 -0.41 3.17 1.82 -2.00 -2.81 116.42 116.30 2kz5 h ASP 46 Ca 0.43 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 57.22 2kz5 h ASP 46 Cb 0.40 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 2kz5 h ASP 46 CO -0.25 -0.40 0.36 0.44 -1.61 0.00 0.00 179.24 177.77 2kz5 h ASP 47 N -1.15 0.00 0.34 2.28 5.19 -1.91 -0.48 116.42 120.69 2kz5 h ASP 47 Ca -0.09 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 2kz5 h ASP 47 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 2kz5 h ASP 47 CO 0.15 0.00 -0.16 0.15 -3.12 0.00 0.00 179.24 176.26 2kz5 h PHE 48 N 0.00 -0.42 -0.09 4.55 3.57 -0.85 0.11 116.94 123.80 2kz5 h PHE 48 Ca 0.20 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2kz5 h PHE 48 Cb 0.91 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2kz5 h PHE 48 CO 0.00 -0.25 -0.13 -0.91 -2.23 0.00 0.00 178.31 174.79 2kz5 h ASN 49 N -0.47 0.13 -0.02 0.41 2.35 -0.89 -2.38 115.58 114.71 2kz5 h ASN 49 Ca -0.05 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2kz5 h ASN 49 Cb 0.36 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2kz5 h ASN 49 CO 0.08 0.28 0.01 -0.33 -1.65 0.00 0.00 177.43 175.82 2kz5 h GLU 50 N 0.14 0.03 -0.44 0.81 4.39 -0.93 -2.12 114.58 116.46 2kz5 h GLU 50 Ca 0.03 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.79 2kz5 h GLU 50 Cb 0.32 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 2kz5 h GLU 50 CO 0.02 0.16 0.08 1.25 -1.16 0.00 0.00 179.01 179.36 2kz5 h LEU 51 N -0.10 -0.00 -1.33 1.33 5.85 -0.33 0.18 115.31 120.91 2kz5 h LEU 51 Ca 0.01 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2kz5 h LEU 51 Cb 0.14 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2kz5 h LEU 51 CO -0.00 0.03 0.02 -0.07 -0.34 0.00 0.00 178.44 178.08 2kz5 h LEU 52 N 0.22 0.43 -0.14 2.25 3.38 -1.43 0.16 115.31 120.17 2kz5 h LEU 52 Ca 0.22 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 2kz5 h LEU 52 Cb 0.27 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2kz5 h LEU 52 CO -0.29 0.49 -0.98 0.00 0.09 0.00 0.00 178.44 177.75 2kz5 h ALA 53 N 1.57 0.37 0.03 1.53 0.00 -0.57 -3.30 119.26 118.89 2kz5 h ALA 53 Ca 0.10 -0.77 -0.22 0.00 0.00 0.00 0.00 54.91 54.03 2kz5 h ALA 53 Cb 0.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kz5 h ALA 53 CO 0.01 0.92 -1.01 0.00 0.00 0.00 0.00 179.25 179.16 2kz5 h ARG 54 N 0.13 0.09 -4.31 0.00 3.08 -0.40 -3.40 114.38 109.56 2kz5 h ARG 54 Ca -0.07 -0.13 -0.73 0.00 0.07 0.00 0.00 59.98 59.12 2kz5 h ARG 54 Cb 1.64 0.05 -0.29 0.00 0.08 0.00 0.00 29.97 31.46 2kz5 h ARG 54 CO 0.16 1.02 -0.39 0.71 -1.07 0.00 0.00 179.97 180.39 2kz5 s TYR 55 N -2.83 3.39 -1.11 3.04 1.51 0.02 -5.03 117.35 116.34 2kz5 s TYR 55 Ca -0.01 -1.74 -0.24 0.00 -1.01 0.00 0.00 57.07 54.07 2kz5 s TYR 55 Cb 0.10 -3.41 -0.13 0.00 -0.11 0.00 0.00 41.96 38.40 2kz5 s TYR 55 CO 0.83 -0.96 2.02 -1.25 -1.11 0.00 0.00 175.55 175.07 2kz5 s PRO 56 N 1.40 2.03 0.45 -1.71 0.04 -1.26 -4.69 135.00 131.25 2kz5 s PRO 56 Ca 0.05 -0.78 -0.01 0.00 0.04 0.00 0.00 61.00 60.29 2kz5 s PRO 56 Cb -0.26 -5.12 -0.02 0.00 0.04 0.00 0.00 34.50 29.14 2kz5 s PRO 56 CO 0.00 -4.45 0.69 -0.51 0.04 0.00 0.00 177.00 172.77 2kz5 s LEU 57 N 13.07 3.68 0.47 -3.56 1.43 -1.26 -5.08 118.68 127.43 2kz5 s LEU 57 Ca 0.74 0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 54.12 2kz5 s LEU 57 Cb -0.03 -3.38 -0.08 0.00 0.03 0.00 0.00 46.19 42.73 2kz5 s LEU 57 CO 0.13 -0.62 1.11 0.42 0.23 0.00 0.00 176.35 177.62 2kz5 s THR 58 N -2.58 3.37 0.63 5.49 -4.23 -1.26 -4.82 115.64 112.24 2kz5 s THR 58 Ca 0.47 0.96 0.28 0.00 -1.18 0.00 0.00 61.69 62.22 2kz5 s THR 58 Cb -0.10 -3.46 0.32 0.00 1.34 0.00 0.00 72.50 70.61 2kz5 s THR 58 CO 0.40 -0.08 1.84 -0.33 -0.54 0.00 0.00 174.62 175.91 2kz5 h GLU 59 N 1.89 0.00 -0.02 3.99 5.08 -1.99 0.50 114.58 124.02 2kz5 h GLU 59 Ca -0.49 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.68 2kz5 h GLU 59 Cb 1.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.50 2kz5 h GLU 59 CO 0.60 0.00 -0.74 0.77 -1.00 0.00 0.00 179.01 178.64 2kz5 h SER 60 N 0.00 0.68 -0.32 1.42 0.02 -2.00 -3.04 113.55 110.31 2kz5 h SER 60 Ca 0.11 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 60.32 2kz5 h SER 60 Cb 1.03 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2kz5 h SER 60 CO -0.00 1.32 0.17 1.56 -1.14 0.00 0.00 176.83 178.74 2kz5 h GLN 61 N 0.11 0.46 -0.42 3.45 4.20 -0.40 -2.57 115.11 119.94 2kz5 h GLN 61 Ca -0.09 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.62 2kz5 h GLN 61 Cb 1.42 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 2kz5 h GLN 61 CO 0.15 0.39 0.28 -0.07 -0.67 0.00 0.00 178.83 178.91 2kz5 h LEU 62 N 0.40 0.29 -0.54 1.46 4.07 -1.36 -0.79 115.31 118.84 2kz5 h LEU 62 Ca 0.11 -0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.10 2kz5 h LEU 62 Cb 0.08 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 2kz5 h LEU 62 CO -0.02 0.19 0.32 0.00 -1.08 0.00 0.00 178.44 177.86 2kz5 h ALA 63 N 1.78 0.69 -0.04 1.53 0.00 -1.33 0.77 119.26 122.66 2kz5 h ALA 63 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2kz5 h ALA 63 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kz5 h ALA 63 CO -0.04 0.04 -0.02 1.25 0.00 0.00 0.00 179.25 180.48 2kz5 h LEU 64 N 0.64 0.08 -0.75 0.00 5.85 -1.18 -2.41 115.31 117.55 2kz5 h LEU 64 Ca 0.21 -0.42 0.09 0.00 0.84 0.00 0.00 57.88 58.61 2kz5 h LEU 64 Cb 0.02 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 2kz5 h LEU 64 CO -0.09 0.48 0.40 0.58 -0.34 0.00 0.00 178.44 179.47 2kz5 h VAL 65 N -0.32 0.88 -0.00 1.05 2.07 -1.03 0.14 116.25 119.03 2kz5 h VAL 65 Ca 0.01 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2kz5 h VAL 65 Cb 0.45 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2kz5 h VAL 65 CO 0.01 0.12 -0.29 0.03 0.02 0.00 0.00 177.57 177.46 2kz5 h ARG 66 N 0.68 0.00 0.07 1.57 3.08 -0.86 -1.05 114.38 117.87 2kz5 h ARG 66 Ca 0.37 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 2kz5 h ARG 66 Cb 0.36 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2kz5 h ARG 66 CO -0.26 0.29 -0.03 0.22 -1.07 0.00 0.00 179.97 179.12 2kz5 h ASP 67 N 0.00 -0.08 -0.57 7.04 3.58 -0.44 -2.66 116.42 123.29 2kz5 h ASP 67 Ca -0.00 -0.52 0.07 0.00 0.42 0.00 0.00 57.03 57.00 2kz5 h ASP 67 Cb 0.51 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.53 2kz5 h ASP 67 CO 0.04 0.53 0.26 0.40 -2.88 0.00 0.00 179.24 177.58 2kz5 h ILE 68 N -0.74 0.88 -0.60 2.25 2.04 -0.77 0.59 117.51 121.14 2kz5 h ILE 68 Ca -0.01 -0.17 0.12 0.00 1.00 0.00 0.00 64.86 65.81 2kz5 h ILE 68 Cb 0.59 0.35 -0.10 0.00 -0.74 0.00 0.00 36.82 36.93 2kz5 h ILE 68 CO 0.02 0.09 0.01 -0.09 0.00 0.00 0.00 178.15 178.18 2kz5 h ARG 69 N 0.48 0.13 -0.49 2.37 1.12 -1.26 0.06 114.38 116.79 2kz5 h ARG 69 Ca 0.27 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 59.00 2kz5 h ARG 69 Cb 0.25 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 2kz5 h ARG 69 CO -0.22 0.08 -0.19 -0.09 -3.11 0.00 0.00 179.97 176.44 2kz5 h ARG 70 N 0.13 0.99 0.62 0.20 9.65 -0.93 -0.53 114.38 124.52 2kz5 h ARG 70 Ca 0.32 -0.41 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2kz5 h ARG 70 Cb 0.51 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2kz5 h ARG 70 CO -0.51 1.09 -0.41 0.00 2.80 0.00 0.00 179.97 182.95 2kz5 h ARG 71 N 0.85 -0.94 -0.40 0.20 3.08 -0.08 -0.64 114.38 116.45 2kz5 h ARG 71 Ca 0.12 0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.14 2kz5 h ARG 71 Cb 0.76 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.01 2kz5 h ARG 71 CO 0.06 -0.63 -0.12 0.78 -1.07 0.00 0.00 179.97 178.99 2kz5 h GLY 72 N -0.98 0.77 1.68 0.04 0.00 -1.05 -1.54 103.07 101.98 2kz5 h GLY 72 Ca -0.08 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.62 2kz5 h GLY 72 CO 0.06 0.53 -0.09 1.70 0.00 0.00 0.00 176.54 178.74 2kz5 h LYS 73 N 0.64 0.40 -0.12 4.80 1.63 -0.99 -1.53 116.57 121.39 2kz5 h LYS 73 Ca 0.11 -0.10 -0.17 0.00 -0.85 0.00 0.00 60.65 59.64 2kz5 h LYS 73 Cb 0.58 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2kz5 h LYS 73 CO 0.04 0.50 -0.63 -0.91 -3.45 0.00 0.00 179.45 174.99 2kz5 h ASN 74 N 0.38 0.52 -0.91 4.20 2.35 -0.87 0.27 115.58 121.52 2kz5 h ASN 74 Ca 0.08 -0.31 0.07 0.00 -0.55 0.00 0.00 56.30 55.59 2kz5 h ASN 74 Cb 0.40 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.55 2kz5 h ASN 74 CO 0.02 1.02 0.57 0.50 -1.65 0.00 0.00 177.43 177.89 2kz5 h LYS 75 N 0.33 0.98 0.17 0.81 3.64 -0.35 -0.34 116.57 121.81 2kz5 h LYS 75 Ca -0.01 -0.06 -0.35 0.00 -1.27 0.00 0.00 60.65 58.96 2kz5 h LYS 75 Cb 1.18 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2kz5 h LYS 75 CO 0.11 0.65 -1.74 -0.24 -2.27 0.00 0.00 179.45 175.96 2kz5 h VAL 76 N 1.01 0.94 0.00 2.00 3.04 -1.31 -3.34 116.25 118.59 2kz5 h VAL 76 Ca 0.41 -2.55 -0.01 0.00 -1.01 0.00 0.00 66.70 63.54 2kz5 h VAL 76 Cb 0.23 2.73 -0.00 0.00 -2.01 0.00 0.00 31.29 32.24 2kz5 h VAL 76 CO -0.19 0.85 -0.03 0.00 -1.01 0.00 0.00 177.57 177.18 2kz5 h ALA 77 N 0.19 1.40 -0.03 3.17 0.00 -0.79 -1.82 119.26 121.38 2kz5 h ALA 77 Ca -0.33 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.55 2kz5 h ALA 77 Cb 2.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 2kz5 h ALA 77 CO 0.17 0.04 0.06 0.00 0.00 0.00 0.00 179.25 179.51 2kz5 h ALA 78 N 1.97 1.34 -0.00 0.00 0.00 -1.18 0.73 119.26 122.11 2kz5 h ALA 78 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kz5 h ALA 78 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kz5 h ALA 78 CO 0.00 -0.07 -0.11 1.04 0.00 0.00 0.00 179.25 180.11 2kz5 n GLN 79 N -3.45 0.14 -1.16 0.00 6.02 -0.68 -4.12 117.38 114.13 2kz5 n GLN 79 Ca -0.02 -0.03 0.01 0.00 -0.01 0.00 0.00 57.00 56.94 2kz5 n GLN 79 Cb 0.14 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.89 2kz5 n GLN 79 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2kz5 n ASN 80 N -1.40 0.31 -4.71 1.08 6.94 0.01 -5.11 115.26 112.38 2kz5 n ASN 80 Ca 0.09 -1.93 -0.42 0.00 -0.02 0.00 0.00 54.58 52.29 2kz5 n ASN 80 Cb 0.32 -0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 37.58 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 0.00 3.40 -0.30 -2.53 5.04 0.04 -4.94 117.35 118.05 2kz5 s TYR 81 Ca 0.19 1.26 -0.28 0.00 -2.44 0.00 0.00 57.07 55.80 2kz5 s TYR 81 Cb 0.21 -3.44 -0.05 0.00 0.35 0.00 0.00 41.96 39.03 2kz5 s TYR 81 CO -0.09 -1.39 2.22 0.50 -1.34 0.00 0.00 175.55 175.45 2kz5 s ARG 82 N 1.16 2.89 0.31 4.97 3.52 -1.26 -4.88 118.95 125.65 2kz5 s ARG 82 Ca 0.59 1.80 -0.30 0.00 -0.13 0.00 0.00 55.73 57.69 2kz5 s ARG 82 Cb -0.30 -4.41 -0.11 0.00 -1.56 0.00 0.00 34.95 28.57 2kz5 s ARG 82 CO 0.29 -2.38 1.60 1.17 -0.81 0.00 0.00 175.30 175.17 2kz5 n LYS 83 N 8.81 2.75 -2.77 5.12 3.00 -1.26 -4.94 118.16 128.86 2kz5 n LYS 83 Ca 0.31 0.97 -0.43 0.00 -0.00 0.00 0.00 58.31 59.16 2kz5 n LYS 83 Cb 0.48 -2.76 -0.04 0.00 0.00 0.00 0.00 35.03 32.71 2kz5 n LYS 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kz5 s ARG 84 N -0.72 3.56 0.02 1.64 0.52 -1.26 -5.02 118.95 117.69 2kz5 s ARG 84 Ca 0.62 0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 2kz5 s ARG 84 Cb -0.48 -3.93 -0.06 0.00 0.52 0.00 0.00 34.95 30.99 2kz5 s ARG 84 CO 0.50 -1.27 1.47 0.21 0.02 0.00 0.00 175.30 176.23 2kz5 s LYS 85 N 3.92 4.26 -0.95 3.54 2.20 -1.26 -4.96 119.74 126.49 2kz5 s LYS 85 Ca 0.39 2.07 -0.19 0.00 -0.36 0.00 0.00 55.97 57.88 2kz5 s LYS 85 Cb -0.09 -3.57 0.12 0.00 -1.51 0.00 0.00 37.83 32.78 2kz5 s LYS 85 CO 0.27 -0.62 1.18 -1.17 -0.36 0.00 0.00 175.35 174.65 2kz5 s LEU 86 N 2.44 4.89 -0.72 5.43 2.96 -1.26 -4.98 118.68 127.45 2kz5 s LEU 86 Ca 0.67 -2.03 -0.17 0.00 -0.22 0.00 0.00 54.13 52.38 2kz5 s LEU 86 Cb -0.34 -2.42 0.15 0.00 0.50 0.00 0.00 46.19 44.09 2kz5 s LEU 86 CO 0.28 -1.09 0.75 -0.70 -1.32 0.00 0.00 176.35 174.27 2kz5 s GLU 87 N 2.88 3.32 -0.96 1.98 2.12 -1.26 -5.00 118.70 121.78 2kz5 s GLU 87 Ca 0.35 -1.87 -0.20 0.00 0.36 0.00 0.00 54.97 53.61 2kz5 s GLU 87 Cb -0.04 -4.43 0.11 0.00 0.26 0.00 0.00 34.13 30.03 2kz5 s GLU 87 CO -0.09 -1.45 1.21 0.99 -0.54 0.00 0.00 175.26 175.38 2kz5 s THR 88 N 1.58 4.55 -0.22 -1.70 2.01 -1.26 -4.97 115.64 115.63 2kz5 s THR 88 Ca 0.15 -1.42 -0.00 0.00 0.31 0.00 0.00 61.69 60.73 2kz5 s THR 88 Cb -0.17 -4.85 0.06 0.00 0.01 0.00 0.00 72.50 67.55 2kz5 s THR 88 CO -0.02 -1.61 -0.02 -0.63 -0.69 0.00 0.00 174.62 171.65 2kz5 s ILE 89 N 3.17 1.20 -0.23 1.82 -1.09 -1.26 -5.11 121.20 119.70 2kz5 s ILE 89 Ca 0.36 -1.03 -0.20 0.00 -2.23 0.00 0.00 60.65 57.55 2kz5 s ILE 89 Cb -0.04 -1.56 0.06 0.00 -1.58 0.00 0.00 42.46 39.35 2kz5 s ILE 89 CO -0.09 -0.16 0.62 0.54 -1.23 0.00 0.00 174.94 174.62 2kz5 s VAL 90 N 1.54 -0.00 -2.00 2.92 0.11 -1.26 -5.34 120.40 116.37 2kz5 s VAL 90 Ca -0.04 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2kz5 s VAL 90 Cb -0.18 -0.86 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 2kz5 s VAL 90 CO -0.07 0.00 0.59 1.67 -3.33 0.00 0.00 175.10 173.96