#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s PRO 3 N 0.00 3.86 0.13 1.61 0.02 -1.26 -4.98 135.00 134.38 3cx5 s PRO 3 Ca 0.00 1.72 -0.31 0.00 0.02 0.00 0.00 61.00 62.43 3cx5 s PRO 3 Cb 0.00 -2.44 -0.10 0.00 0.02 0.00 0.00 34.50 31.98 3cx5 s PRO 3 CO 0.00 -0.45 1.77 -2.14 -0.33 0.00 0.00 177.00 175.84 3cx5 s PRO 4 N -2.65 4.15 0.14 5.54 0.02 -1.26 -5.00 135.00 135.95 3cx5 s PRO 4 Ca 0.62 2.53 0.07 0.00 0.02 0.00 0.00 61.00 64.24 3cx5 s PRO 4 Cb -0.27 -3.50 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 3cx5 s PRO 4 CO 0.33 -0.80 -0.01 -1.54 -0.33 0.00 0.00 177.00 174.65 3cx5 s SER 5 N 2.37 4.80 0.29 2.53 1.04 -1.26 -5.11 113.70 118.36 3cx5 s SER 5 Ca 0.78 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 56.59 3cx5 s SER 5 Cb -0.45 -1.05 -0.10 0.00 0.10 0.00 0.00 66.02 64.52 3cx5 s SER 5 CO 0.35 0.13 1.25 -0.83 0.98 0.00 0.00 173.24 175.11 3cx5 s GLY 6 N -2.65 2.92 0.42 7.32 0.00 -1.26 -5.00 107.32 109.07 3cx5 s GLY 6 Ca 0.26 1.13 -0.26 0.00 0.00 0.00 0.00 44.72 45.85 3cx5 s GLY 6 CO 0.18 1.82 1.39 0.54 0.00 0.00 0.00 173.10 177.03 3cx5 s LYS 7 N -1.38 3.88 0.03 2.90 1.02 -1.26 -5.03 119.74 119.91 3cx5 s LYS 7 Ca 0.49 2.35 0.00 0.00 0.02 0.00 0.00 55.97 58.83 3cx5 s LYS 7 Cb -0.37 -2.76 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3cx5 s LYS 7 CO 0.47 -0.63 0.01 0.25 -0.92 0.00 0.00 175.35 174.53 3cx5 n THR 8 N 0.07 0.00 -0.05 2.17 -2.24 -1.26 -5.07 114.28 107.91 3cx5 n THR 8 Ca 0.04 -0.19 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 3cx5 n THR 8 Cb 0.42 0.07 0.25 0.00 -2.10 0.00 0.00 70.33 68.97 3cx5 n THR 8 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3cx5 n TYR 9 N -0.07 0.68 -4.05 4.78 4.02 -1.26 -4.90 117.16 116.37 3cx5 n TYR 9 Ca -0.00 -0.38 -0.16 0.00 -0.01 0.00 0.00 57.90 57.34 3cx5 n TYR 9 Cb 0.05 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.21 3cx5 n TYR 9 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 3cx5 s MET 10 N -1.19 0.38 0.00 -0.72 1.75 -1.26 -4.87 119.30 113.39 3cx5 s MET 10 Ca 0.40 -0.06 0.00 0.00 -1.25 0.00 0.00 55.69 54.78 3cx5 s MET 10 Cb 0.22 -0.44 0.00 0.00 2.84 0.00 0.00 34.83 37.45 3cx5 s MET 10 CO 0.30 -0.01 0.00 0.41 -0.65 0.00 0.00 175.02 175.06 3cx5 n GLY 11 N 3.53 0.87 3.50 2.11 0.00 -0.31 -4.97 105.19 109.91 3cx5 n GLY 11 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 3cx5 n GLY 11 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cx5 s TRP 12 N 3.79 1.11 0.00 1.61 -0.11 -1.07 -4.86 118.94 119.42 3cx5 s TRP 12 Ca 0.00 -1.34 -0.36 0.00 1.22 0.00 0.00 56.10 55.62 3cx5 s TRP 12 Cb 0.00 -0.08 -0.14 0.00 -1.50 0.00 0.00 33.47 31.75 3cx5 s TRP 12 CO 0.00 -1.18 1.63 0.91 -4.62 0.00 0.00 176.95 173.69 3cx5 n TRP 13 N -0.60 2.07 0.00 5.86 7.02 -1.26 -0.93 117.44 129.60 3cx5 n TRP 13 Ca 0.01 0.33 0.00 0.00 -1.02 0.00 0.00 57.50 56.82 3cx5 n TRP 13 Cb 0.61 -2.51 0.00 0.00 -2.42 0.00 0.00 31.31 26.99 3cx5 n TRP 13 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3cx5 n GLY 14 N 3.60 3.30 2.57 6.99 0.00 -1.26 -4.83 105.19 115.55 3cx5 n GLY 14 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 3cx5 n GLY 14 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3cx5 n HIS 15 N -1.32 -1.71 0.29 1.61 1.44 -0.11 -5.00 115.22 110.42 3cx5 n HIS 15 Ca 0.00 -2.64 0.18 0.00 -2.01 0.00 0.00 57.72 53.26 3cx5 n HIS 15 Cb 0.00 0.92 0.86 0.00 0.12 0.00 0.00 29.99 31.89 3cx5 n HIS 15 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 3cx5 h MET 16 N 2.89 0.00 0.00 -1.40 4.05 -1.61 -2.85 114.93 116.01 3cx5 h MET 16 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3cx5 h MET 16 Cb 1.09 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 3cx5 h MET 16 CO 0.24 0.02 0.00 0.41 0.23 0.00 0.00 176.91 177.81 3cx5 n GLY 17 N -0.41 0.87 3.11 1.39 0.00 -1.26 -1.17 105.19 107.73 3cx5 n GLY 17 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3cx5 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cx5 n GLY 18 N -2.08 0.10 3.83 -0.02 0.00 -1.26 -4.98 105.19 100.78 3cx5 n GLY 18 Ca 0.00 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 3cx5 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cx5 s PRO 19 N -4.78 2.43 0.17 1.61 0.04 -1.26 -4.97 135.00 128.24 3cx5 s PRO 19 Ca 0.55 0.61 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 3cx5 s PRO 19 Cb -0.03 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 3cx5 s PRO 19 CO 0.37 -1.38 1.52 0.15 0.04 0.00 0.00 177.00 177.71 3cx5 s LYS 20 N -5.21 4.24 -0.17 4.56 1.02 -1.26 -4.99 119.74 117.93 3cx5 s LYS 20 Ca 0.60 2.30 -0.08 0.00 0.02 0.00 0.00 55.97 58.81 3cx5 s LYS 20 Cb -0.13 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 3cx5 s LYS 20 CO 0.54 -0.55 0.08 -0.65 -0.92 0.00 0.00 175.35 173.85 3cx5 s GLN 21 N 0.91 3.87 -0.15 1.68 -0.21 -1.26 -5.09 119.66 119.41 3cx5 s GLN 21 Ca 0.67 -0.29 -0.23 0.00 0.02 0.00 0.00 55.36 55.54 3cx5 s GLN 21 Cb -0.42 -3.23 0.06 0.00 1.00 0.00 0.00 33.01 30.42 3cx5 s GLN 21 CO 0.33 0.39 0.59 0.21 -2.12 0.00 0.00 175.29 174.69 3cx5 s LYS 22 N 0.06 0.80 0.00 2.91 2.20 -1.26 -4.93 119.74 119.52 3cx5 s LYS 22 Ca 0.07 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3cx5 s LYS 22 Cb -0.12 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 3cx5 s LYS 22 CO 0.00 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3cx5 n GLY 23 N 2.06 1.73 3.73 5.54 0.00 -1.26 -5.03 105.19 111.96 3cx5 n GLY 23 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3cx5 n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cx5 s ILE 24 N -2.51 5.33 -0.08 -0.61 1.01 -1.26 -5.08 121.20 118.00 3cx5 s ILE 24 Ca 0.00 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.17 3cx5 s ILE 24 Cb 0.00 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 3cx5 s ILE 24 CO 0.00 0.40 -0.22 -0.89 0.00 0.00 0.00 174.94 174.23 3cx5 s THR 25 N 0.41 1.88 0.11 2.92 2.01 -1.26 -5.14 115.64 116.57 3cx5 s THR 25 Ca 0.15 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.30 3cx5 s THR 25 Cb -0.13 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 3cx5 s THR 25 CO 0.03 0.52 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.37 3cx5 s SER 26 N 0.27 3.96 0.03 3.53 1.04 -1.26 -5.13 113.70 116.12 3cx5 s SER 26 Ca -0.14 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.80 3cx5 s SER 26 Cb -0.16 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.34 3cx5 s SER 26 CO 0.07 0.19 -0.09 -0.31 0.98 0.00 0.00 173.24 174.07 3cx5 s TYR 27 N -1.13 0.82 0.10 5.02 1.51 -1.26 -5.16 117.35 117.26 3cx5 s TYR 27 Ca 0.18 -0.32 -0.12 0.00 -1.01 0.00 0.00 57.07 55.80 3cx5 s TYR 27 Cb -0.11 -0.50 0.01 0.00 -0.11 0.00 0.00 41.96 41.26 3cx5 s TYR 27 CO 0.10 -0.02 0.28 0.00 -1.11 0.00 0.00 175.55 174.80 3cx5 s ALA 28 N -0.80 -0.53 0.03 3.71 0.00 -1.26 -5.17 121.76 117.75 3cx5 s ALA 28 Ca -0.02 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.66 3cx5 s ALA 28 Cb -0.07 0.55 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 3cx5 s ALA 28 CO 0.00 -0.55 -0.19 0.08 0.00 0.00 0.00 175.76 175.10 3cx5 s VAL 29 N -3.71 1.56 0.35 0.00 1.01 -1.26 -5.12 120.40 113.23 3cx5 s VAL 29 Ca 0.03 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 3cx5 s VAL 29 Cb 0.03 -1.35 -0.11 0.00 0.00 0.00 0.00 36.38 34.95 3cx5 s VAL 29 CO -0.11 0.21 1.53 -0.55 0.00 0.00 0.00 175.10 176.18 3cx5 s SER 30 N -1.05 6.34 0.55 3.32 0.15 -1.26 -4.88 113.70 116.87 3cx5 s SER 30 Ca 0.07 3.03 0.22 0.00 0.70 0.00 0.00 55.95 59.96 3cx5 s SER 30 Cb -0.08 -2.66 1.50 0.00 -1.71 0.00 0.00 66.02 63.06 3cx5 s SER 30 CO 0.01 -0.89 2.18 -0.65 1.20 0.00 0.00 173.24 175.09 3cx5 h PRO 31 N 3.60 0.00 0.00 5.44 0.11 -2.00 -1.09 132.00 138.06 3cx5 h PRO 31 Ca -0.50 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3cx5 h PRO 31 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3cx5 h PRO 31 CO 0.69 0.00 -0.29 1.88 -0.21 0.00 0.00 178.00 180.07 3cx5 h TYR 32 N 0.00 0.00 -0.01 0.65 -1.99 -2.01 -2.80 116.97 110.80 3cx5 h TYR 32 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3cx5 h TYR 32 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3cx5 h TYR 32 CO 0.00 0.29 -0.07 0.00 -0.00 0.00 0.00 178.16 178.38 3cx5 n ALA 33 N -2.36 2.70 -2.63 3.88 0.00 -0.42 -4.94 120.51 116.73 3cx5 n ALA 33 Ca -0.01 -0.46 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 3cx5 n ALA 33 Cb 0.38 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 3cx5 n ALA 33 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cx5 s GLN 34 N -2.13 3.30 0.10 0.00 -0.21 -1.06 -5.01 119.66 114.65 3cx5 s GLN 34 Ca 0.34 -0.64 -0.31 0.00 0.02 0.00 0.00 55.36 54.77 3cx5 s GLN 34 Cb 0.20 -2.74 -0.09 0.00 1.00 0.00 0.00 33.01 31.38 3cx5 s GLN 34 CO 0.38 0.12 1.72 0.15 -2.12 0.00 0.00 175.29 175.54 3cx5 s LYS 35 N -4.24 4.17 0.00 2.91 1.02 -1.26 -4.81 119.74 117.53 3cx5 s LYS 35 Ca 0.41 2.45 0.00 0.00 0.02 0.00 0.00 55.97 58.85 3cx5 s LYS 35 Cb -0.09 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 3cx5 s LYS 35 CO 0.33 -0.77 0.41 -0.35 -0.92 0.00 0.00 175.35 174.05 3cx5 n PRO 36 N 5.52 0.00 -4.04 -1.68 -0.04 -1.26 -4.23 135.00 129.26 3cx5 n PRO 36 Ca 0.17 -0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 3cx5 n PRO 36 Cb 0.39 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 3cx5 n PRO 36 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3cx5 n LEU 37 N 2.84 -2.21 -2.74 1.53 4.77 -1.26 -4.86 117.00 115.08 3cx5 n LEU 37 Ca 0.00 -0.88 -0.31 0.00 -0.03 0.00 0.00 56.01 54.79 3cx5 n LEU 37 Cb 0.00 -2.36 -0.03 0.00 -2.33 0.00 0.00 43.42 38.70 3cx5 n LEU 37 CO 0.21 0.40 1.68 0.00 -1.33 0.00 0.00 177.39 178.34 3cx5 n GLN 38 N -4.55 2.86 -2.17 3.23 10.64 -1.26 -4.07 117.38 122.06 3cx5 n GLN 38 Ca 0.04 -2.78 -0.02 0.00 -1.83 0.00 0.00 57.00 52.41 3cx5 n GLN 38 Cb 0.52 -2.24 0.04 0.00 -0.86 0.00 0.00 30.24 27.69 3cx5 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3cx5 n GLY 39 N 0.70 -0.03 0.08 2.61 0.00 -1.26 -5.05 105.19 102.24 3cx5 n GLY 39 Ca 0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 3cx5 n GLY 39 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3cx5 h ILE 40 N 1.17 0.00 -4.03 -0.61 2.04 -1.99 -3.40 117.51 110.69 3cx5 h ILE 40 Ca -0.28 -0.13 -0.46 0.00 1.00 0.00 0.00 64.86 64.99 3cx5 h ILE 40 Cb 1.16 0.00 0.08 0.00 -0.74 0.00 0.00 36.82 37.32 3cx5 h ILE 40 CO -0.11 0.00 0.28 -0.36 0.00 0.00 0.00 178.15 177.97 3cx5 s PHE 41 N -2.56 2.93 0.00 1.37 2.99 -1.26 -3.04 117.98 118.40 3cx5 s PHE 41 Ca -0.03 0.54 0.00 0.00 0.00 0.00 0.00 56.93 57.44 3cx5 s PHE 41 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 43.02 39.74 3cx5 s PHE 41 CO 0.09 -1.52 0.00 1.58 -0.00 0.00 0.00 175.22 175.37 3cx5 n HIS 42 N -3.04 0.00 0.24 0.36 -0.00 -1.26 -4.20 115.22 107.32 3cx5 n HIS 42 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.92 3cx5 n HIS 42 Cb 0.61 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.77 3cx5 n HIS 42 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 3cx5 h ASN 43 N 0.00 0.00 0.00 0.26 -0.26 -1.77 -3.30 115.58 110.51 3cx5 h ASN 43 Ca 0.00 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3cx5 h ASN 43 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 3cx5 h ASN 43 CO 0.00 0.00 -0.45 0.00 -1.06 0.00 0.00 177.43 175.92 3cx5 n ALA 44 N -2.08 3.34 -0.06 -0.83 0.00 -1.17 -4.67 120.51 115.03 3cx5 n ALA 44 Ca 0.04 -3.11 -0.13 0.00 0.00 0.00 0.00 53.44 50.24 3cx5 n ALA 44 Cb 0.52 -0.38 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 3cx5 n ALA 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3cx5 n VAL 45 N -1.06 1.55 0.17 0.00 3.14 -1.24 -3.16 118.33 117.73 3cx5 n VAL 45 Ca 0.17 -0.75 0.05 0.00 -2.96 0.00 0.00 64.34 60.86 3cx5 n VAL 45 Cb 0.71 -1.05 0.21 0.00 -1.06 0.00 0.00 33.84 32.65 3cx5 n VAL 45 CO 0.00 0.00 0.00 2.19 -6.46 0.00 0.00 176.83 172.56 3cx5 h PHE 46 N 0.01 0.00 0.00 1.45 -5.15 -1.83 -3.03 116.94 108.40 3cx5 h PHE 46 Ca -0.45 0.00 -0.24 0.00 -0.20 0.00 0.00 57.97 57.08 3cx5 h PHE 46 Cb 2.07 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 38.21 3cx5 h PHE 46 CO 0.02 0.40 -1.28 -0.97 -2.00 0.00 0.00 178.31 174.47 3cx5 h ASN 47 N 0.00 0.00 -3.14 -0.68 -1.24 -1.86 -3.47 115.58 105.19 3cx5 h ASN 47 Ca -0.00 0.00 -0.42 0.00 0.71 0.00 0.00 56.30 56.59 3cx5 h ASN 47 Cb 1.10 0.00 0.22 0.00 0.73 0.00 0.00 38.32 40.37 3cx5 h ASN 47 CO 0.05 0.95 -0.04 -0.55 -1.29 0.00 0.00 177.43 176.56 3cx5 s SER 48 N -6.40 0.31 -1.34 1.15 0.15 -1.14 -3.57 113.70 102.86 3cx5 s SER 48 Ca -0.01 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.98 3cx5 s SER 48 Cb 0.09 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 3cx5 s SER 48 CO 0.82 -4.59 0.00 0.49 1.20 0.00 0.00 173.24 171.16 3cx5 n PHE 49 N -5.16 -0.17 -0.04 3.44 3.01 -1.26 -4.89 117.46 112.39 3cx5 n PHE 49 Ca 0.05 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.37 3cx5 n PHE 49 Cb 0.56 -2.55 -0.09 0.00 -0.01 0.00 0.00 39.48 37.39 3cx5 n PHE 49 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3cx5 h ARG 50 N 0.00 0.24 0.00 -1.08 9.65 -1.93 -0.11 114.38 121.14 3cx5 h ARG 50 Ca -0.29 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 3cx5 h ARG 50 Cb 0.97 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3cx5 h ARG 50 CO 0.39 0.75 0.00 0.54 2.80 0.00 0.00 179.97 184.45 3cx5 n ARG 51 N -4.59 0.73 0.00 0.20 5.12 -1.26 -2.87 116.66 113.99 3cx5 n ARG 51 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3cx5 n ARG 51 Cb 0.39 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 3cx5 n ARG 51 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3cx5 n PHE 52 N -0.90 0.00 -0.34 -1.55 -0.00 -0.98 -3.87 117.46 109.82 3cx5 n PHE 52 Ca 0.14 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.78 3cx5 n PHE 52 Cb 0.06 0.00 0.42 0.00 -0.00 0.00 0.00 39.48 39.96 3cx5 n PHE 52 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 3cx5 h LYS 53 N 0.00 0.50 0.00 -4.13 3.64 -1.16 1.40 116.57 116.82 3cx5 h LYS 53 Ca 0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 3cx5 h LYS 53 Cb 0.00 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3cx5 h LYS 53 CO 0.00 0.33 -1.29 0.77 -2.27 0.00 0.00 179.45 177.00 3cx5 h SER 54 N 0.52 0.00 0.00 4.20 0.02 -1.73 -3.41 113.55 113.15 3cx5 h SER 54 Ca 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.60 3cx5 h SER 54 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3cx5 h SER 54 CO -0.46 0.58 -1.17 0.00 -1.14 0.00 0.00 176.83 174.64 3cx5 n GLN 55 N -2.94 0.99 -0.28 3.45 1.13 -0.52 -4.77 117.38 114.44 3cx5 n GLN 55 Ca -0.08 -0.06 0.12 0.00 -1.94 0.00 0.00 57.00 55.05 3cx5 n GLN 55 Cb 0.83 -1.12 0.37 0.00 0.11 0.00 0.00 30.24 30.43 3cx5 n GLN 55 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3cx5 h PHE 56 N 0.00 0.84 -0.44 1.08 -0.00 0.17 -2.37 116.94 116.23 3cx5 h PHE 56 Ca 0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.90 3cx5 h PHE 56 Cb 0.31 -0.26 -0.02 0.00 -0.00 0.00 0.00 35.95 35.98 3cx5 h PHE 56 CO 0.00 0.29 -0.11 -0.07 -0.00 0.00 0.00 178.31 178.42 3cx5 h LEU 57 N 0.70 0.79 -1.90 2.10 3.38 -1.86 1.13 115.31 119.64 3cx5 h LEU 57 Ca 0.47 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3cx5 h LEU 57 Cb 0.76 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3cx5 h LEU 57 CO -0.22 0.92 -0.12 1.88 0.09 0.00 0.00 178.44 180.98 3cx5 h TYR 58 N 0.72 0.00 0.01 1.13 -1.99 -1.76 -1.89 116.97 113.20 3cx5 h TYR 58 Ca 0.12 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.49 3cx5 h TYR 58 Cb 0.60 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.28 3cx5 h TYR 58 CO 0.03 0.12 -1.98 0.28 -0.00 0.00 0.00 178.16 176.61 3cx5 n VAL 59 N -3.80 1.56 0.01 -2.88 0.31 -0.89 -4.44 118.33 108.19 3cx5 n VAL 59 Ca -0.02 -0.30 -0.11 0.00 -0.01 0.00 0.00 64.34 63.90 3cx5 n VAL 59 Cb 0.23 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 3cx5 n VAL 59 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3cx5 h LEU 60 N -0.77 0.05 0.40 7.52 7.12 0.14 -1.64 115.31 128.14 3cx5 h LEU 60 Ca -0.52 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.48 3cx5 h LEU 60 Cb 1.58 -0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.70 3cx5 h LEU 60 CO -0.25 0.04 -0.23 0.40 -0.13 0.00 0.00 178.44 178.28 3cx5 h ILE 61 N 0.08 0.53 -0.98 4.05 2.04 -1.55 0.46 117.51 122.15 3cx5 h ILE 61 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3cx5 h ILE 61 Cb 0.01 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 3cx5 h ILE 61 CO -0.03 0.00 0.64 -0.65 0.00 0.00 0.00 178.15 178.11 3cx5 h PRO 62 N -0.59 1.21 -0.60 2.37 0.11 -1.77 0.08 132.00 132.81 3cx5 h PRO 62 Ca -0.05 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3cx5 h PRO 62 Cb 0.47 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 3cx5 h PRO 62 CO 0.06 0.80 0.24 0.00 -0.21 0.00 0.00 178.00 178.89 3cx5 h ALA 63 N 1.39 0.78 -0.48 -0.75 0.00 -0.99 -1.69 119.26 117.53 3cx5 h ALA 63 Ca 0.38 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3cx5 h ALA 63 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3cx5 h ALA 63 CO -0.12 0.40 0.03 0.78 0.00 0.00 0.00 179.25 180.34 3cx5 h GLY 64 N 0.84 0.89 0.75 0.00 0.00 0.58 -0.11 103.07 106.02 3cx5 h GLY 64 Ca 0.20 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.93 3cx5 h GLY 64 CO -0.02 0.58 0.01 -2.22 0.00 0.00 0.00 176.54 174.90 3cx5 h ILE 65 N 0.68 0.89 -0.33 2.60 2.04 -0.82 -1.35 117.51 121.22 3cx5 h ILE 65 Ca 0.14 -0.03 -0.15 0.00 1.00 0.00 0.00 64.86 65.83 3cx5 h ILE 65 Cb 0.47 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3cx5 h ILE 65 CO 0.02 0.01 -0.38 1.88 0.00 0.00 0.00 178.15 179.68 3cx5 h TYR 66 N 0.08 0.91 -0.26 1.37 -1.99 -1.22 -1.78 116.97 114.08 3cx5 h TYR 66 Ca 0.08 -0.27 -0.04 0.00 2.00 0.00 0.00 58.73 60.51 3cx5 h TYR 66 Cb 0.09 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 3cx5 h TYR 66 CO -0.15 1.03 0.01 2.35 -0.00 0.00 0.00 178.16 181.40 3cx5 h TRP 67 N 0.63 0.50 -0.20 4.88 7.01 -0.85 -0.75 115.95 127.16 3cx5 h TRP 67 Ca 0.06 -0.08 -0.09 0.00 2.11 0.00 0.00 58.89 60.88 3cx5 h TRP 67 Cb 0.93 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 3cx5 h TRP 67 CO 0.05 0.60 -0.27 1.88 -2.79 0.00 0.00 178.44 177.91 3cx5 h TYR 68 N 0.25 0.44 -0.67 2.65 0.05 -1.27 0.15 116.97 118.56 3cx5 h TYR 68 Ca 0.08 -0.09 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3cx5 h TYR 68 Cb 0.39 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 3cx5 h TYR 68 CO 0.03 0.63 0.12 2.35 -1.05 0.00 0.00 178.16 180.24 3cx5 h TRP 69 N 0.35 1.16 0.05 4.88 7.01 -1.14 -0.65 115.95 127.61 3cx5 h TRP 69 Ca 0.05 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 3cx5 h TRP 69 Cb 0.66 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 3cx5 h TRP 69 CO 0.02 0.97 -0.02 2.35 -2.79 0.00 0.00 178.44 178.96 3cx5 h TRP 70 N 1.03 -0.06 -0.91 2.65 2.91 -0.49 -2.51 115.95 118.57 3cx5 h TRP 70 Ca 0.21 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.27 3cx5 h TRP 70 Cb 0.42 0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.03 3cx5 h TRP 70 CO 0.03 0.32 0.58 0.87 -1.03 0.00 0.00 178.44 179.21 3cx5 h LYS 71 N -0.45 1.06 0.14 2.65 1.79 -0.62 -0.76 116.57 120.38 3cx5 h LYS 71 Ca -0.01 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 3cx5 h LYS 71 Cb 0.40 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 3cx5 h LYS 71 CO 0.01 0.70 -0.07 -0.97 -1.08 0.00 0.00 179.45 178.05 3cx5 h ASN 72 N 1.09 -0.15 -0.13 0.86 -0.73 -1.11 -1.26 115.58 114.15 3cx5 h ASN 72 Ca 0.38 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.47 3cx5 h ASN 72 Cb 0.08 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 3cx5 h ASN 72 CO -0.14 -0.08 -0.07 1.23 -0.37 0.00 0.00 177.43 178.00 3cx5 h GLY 73 N -0.21 0.47 0.98 1.57 0.00 -1.20 -2.28 103.07 102.39 3cx5 h GLY 73 Ca -0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 3cx5 h GLY 73 CO 0.03 0.27 -0.25 -0.57 0.00 0.00 0.00 176.54 176.03 3cx5 h ASN 74 N 0.41 0.77 -0.66 0.19 -1.24 -0.91 -1.81 115.58 112.33 3cx5 h ASN 74 Ca 0.08 -0.45 -0.08 0.00 0.71 0.00 0.00 56.30 56.57 3cx5 h ASN 74 Cb 0.39 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 3cx5 h ASN 74 CO 0.02 1.05 0.12 -0.33 -1.29 0.00 0.00 177.43 177.00 3cx5 h GLU 75 N 0.49 1.10 -0.34 6.67 5.08 -1.07 -1.81 114.58 124.69 3cx5 h GLU 75 Ca 0.06 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3cx5 h GLU 75 Cb 0.81 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3cx5 h GLU 75 CO 0.06 1.00 0.07 -0.92 -1.00 0.00 0.00 179.01 178.22 3cx5 h TYR 76 N 1.03 0.58 -0.80 4.33 3.20 -1.36 -1.24 116.97 122.70 3cx5 h TYR 76 Ca 0.20 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3cx5 h TYR 76 Cb 0.43 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3cx5 h TYR 76 CO 0.03 0.60 0.53 -0.97 -1.64 0.00 0.00 178.16 176.72 3cx5 h ASN 77 N 0.39 0.91 -0.67 -2.11 -0.73 -1.20 0.43 115.58 112.60 3cx5 h ASN 77 Ca 0.10 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.20 3cx5 h ASN 77 Cb 0.33 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.66 3cx5 h ASN 77 CO 0.00 0.66 0.23 -0.08 -0.37 0.00 0.00 177.43 177.87 3cx5 h GLU 78 N 1.08 1.06 -0.08 6.67 4.81 -1.10 -2.50 114.58 124.52 3cx5 h GLU 78 Ca 0.30 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3cx5 h GLU 78 Cb -0.11 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.10 3cx5 h GLU 78 CO -0.07 0.89 0.00 0.35 -0.73 0.00 0.00 179.01 179.46 3cx5 h PHE 79 N 1.02 0.14 -0.81 0.92 3.57 -0.41 -2.84 116.94 118.53 3cx5 h PHE 79 Ca 0.23 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.85 3cx5 h PHE 79 Cb 0.27 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3cx5 h PHE 79 CO 0.02 0.38 0.53 -0.07 -2.23 0.00 0.00 178.31 176.95 3cx5 h LEU 80 N -0.14 0.51 -1.31 0.59 3.38 -0.71 -1.64 115.31 115.99 3cx5 h LEU 80 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cx5 h LEU 80 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3cx5 h LEU 80 CO 0.00 0.26 0.00 -1.22 0.09 0.00 0.00 178.44 177.57 3cx5 n TYR 81 N -4.51 0.07 -2.49 1.13 4.02 -0.96 -3.91 117.16 110.50 3cx5 n TYR 81 Ca 0.16 -0.03 -0.25 0.00 -0.01 0.00 0.00 57.90 57.76 3cx5 n TYR 81 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.86 3cx5 n TYR 81 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3cx5 s SER 82 N -1.90 5.36 0.20 7.72 1.04 -0.63 -4.96 113.70 120.54 3cx5 s SER 82 Ca 0.35 0.43 -0.10 0.00 0.48 0.00 0.00 55.95 57.10 3cx5 s SER 82 Cb 0.20 -1.35 0.26 0.00 0.10 0.00 0.00 66.02 65.23 3cx5 s SER 82 CO 0.31 -1.16 1.72 0.11 0.98 0.00 0.00 173.24 175.21 3cx5 h LYS 83 N -0.14 0.29 0.00 4.02 1.57 -1.90 -1.46 116.57 118.94 3cx5 h LYS 83 Ca -0.45 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3cx5 h LYS 83 Cb 1.28 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 3cx5 h LYS 83 CO 0.58 0.19 -0.12 0.00 -0.57 0.00 0.00 179.45 179.54 3cx5 h ALA 84 N 1.43 1.41 -0.03 3.86 0.00 -1.94 -2.76 119.26 121.24 3cx5 h ALA 84 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3cx5 h ALA 84 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3cx5 h ALA 84 CO -0.35 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.46 3cx5 n GLY 85 N -0.85 0.10 0.30 0.00 0.00 -0.56 -4.47 105.19 99.70 3cx5 n GLY 85 Ca -0.02 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3cx5 n GLY 85 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cx5 h ARG 86 N 2.51 0.51 -0.35 1.61 0.11 -1.36 -0.63 114.38 116.78 3cx5 h ARG 86 Ca 0.00 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 3cx5 h ARG 86 Cb 0.54 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 3cx5 h ARG 86 CO 0.00 0.34 -0.23 1.49 0.10 0.00 0.00 179.97 181.67 3cx5 h GLU 87 N 0.53 0.78 -0.15 0.08 4.81 -1.84 -2.74 114.58 116.04 3cx5 h GLU 87 Ca 0.47 -0.36 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 3cx5 h GLU 87 Cb 0.72 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3cx5 h GLU 87 CO -0.41 0.99 -0.44 1.49 -0.73 0.00 0.00 179.01 179.91 3cx5 h GLU 88 N 0.56 0.36 0.23 1.92 4.81 -1.76 -2.76 114.58 117.94 3cx5 h GLU 88 Ca 0.07 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 3cx5 h GLU 88 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3cx5 h GLU 88 CO 0.06 0.73 -0.15 1.25 -0.73 0.00 0.00 179.01 180.18 3cx5 h LEU 89 N 0.30 -0.38 -1.74 1.64 6.46 -1.05 -0.46 115.31 120.08 3cx5 h LEU 89 Ca 0.02 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 3cx5 h LEU 89 Cb 0.89 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.92 3cx5 h LEU 89 CO 0.07 -0.24 0.25 -0.33 -0.62 0.00 0.00 178.44 177.57 3cx5 h GLU 90 N -0.37 0.32 0.25 1.25 5.08 -1.46 0.21 114.58 119.86 3cx5 h GLU 90 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3cx5 h GLU 90 Cb 0.32 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3cx5 h GLU 90 CO 0.01 0.21 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.03 3cx5 h ARG 91 N 0.33 -0.32 0.00 2.33 2.43 -1.07 -3.04 114.38 115.04 3cx5 h ARG 91 Ca 0.16 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3cx5 h ARG 91 Cb 0.21 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3cx5 h ARG 91 CO -0.03 0.04 -0.20 -0.39 -1.51 0.00 0.00 179.97 177.88 3cx5 h VAL 92 N -0.81 0.34 0.00 0.20 -1.51 -0.90 -3.36 116.25 110.22 3cx5 h VAL 92 Ca -0.03 -1.45 -0.02 0.00 -1.23 0.00 0.00 66.70 63.96 3cx5 h VAL 92 Cb 0.51 2.14 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 3cx5 h VAL 92 CO 0.06 0.19 -0.16 -1.13 -1.23 0.00 0.00 177.57 175.30 3cx5 h ASN 93 N 0.00 0.00 -0.01 4.19 -1.24 -0.71 -3.51 115.58 114.30 3cx5 h ASN 93 Ca -0.00 -0.60 0.00 0.00 0.71 0.00 0.00 56.30 56.41 3cx5 h ASN 93 Cb 1.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.18 3cx5 h ASN 93 CO 0.03 0.89 0.00 0.52 -1.29 0.00 0.00 177.43 177.57