#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 3.54 0.10 1.61 0.04 -1.26 -5.00 135.00 134.02 3cx5 s PRO 3 Ca 0.00 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.83 3cx5 s PRO 3 Cb 0.00 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.39 3cx5 s PRO 3 CO 0.00 -0.62 1.51 -2.14 0.04 0.00 0.00 177.00 175.79 3cx5 s PRO 4 N -4.13 4.25 0.19 0.56 0.02 -1.26 -5.02 135.00 129.62 3cx5 s PRO 4 Ca 0.62 2.20 0.08 0.00 0.02 0.00 0.00 61.00 63.92 3cx5 s PRO 4 Cb -0.14 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 30.97 3cx5 s PRO 4 CO 0.36 -0.59 -0.05 0.45 -0.33 0.00 0.00 177.00 176.84 3cx5 s SER 5 N 1.60 4.46 0.27 2.53 0.15 -1.26 -5.10 113.70 116.36 3cx5 s SER 5 Ca 0.68 -0.52 -0.30 0.00 0.70 0.00 0.00 55.95 56.51 3cx5 s SER 5 Cb -0.39 -0.84 -0.11 0.00 -1.71 0.00 0.00 66.02 62.98 3cx5 s SER 5 CO 0.30 0.09 1.55 -0.83 1.20 0.00 0.00 173.24 175.55 3cx5 s GLY 6 N -2.96 2.11 0.41 9.45 0.00 -1.26 -4.98 107.32 110.09 3cx5 s GLY 6 Ca 0.26 1.48 -0.24 0.00 0.00 0.00 0.00 44.72 46.23 3cx5 s GLY 6 CO 0.17 2.48 1.13 0.54 0.00 0.00 0.00 173.10 177.42 3cx5 s LYS 7 N -0.31 4.01 0.00 2.90 -0.14 -1.26 -5.05 119.74 119.89 3cx5 s LYS 7 Ca 0.63 1.72 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 3cx5 s LYS 7 Cb -0.46 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.12 3cx5 s LYS 7 CO 0.45 -0.32 0.00 0.25 -0.76 0.00 0.00 175.35 174.97 3cx5 n THR 8 N -0.11 0.00 0.08 2.17 -2.24 -1.26 -5.05 114.28 107.87 3cx5 n THR 8 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3cx5 n THR 8 Cb 0.48 0.00 0.26 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 0.00 0.68 -4.19 4.78 4.02 -1.26 -4.88 117.16 116.31 3cx5 n TYR 9 Ca 0.00 -0.34 -0.18 0.00 -0.01 0.00 0.00 57.90 57.37 3cx5 n TYR 9 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 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 -1.32 0.62 0.00 -0.72 1.75 -1.26 -4.86 119.30 113.51 3cx5 s MET 10 Ca 0.43 -0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.70 3cx5 s MET 10 Cb 0.24 -0.62 0.00 0.00 2.84 0.00 0.00 34.83 37.29 3cx5 s MET 10 CO 0.32 0.04 0.00 0.41 -0.65 0.00 0.00 175.02 175.15 3cx5 n GLY 11 N 3.41 0.90 3.62 2.11 0.00 -0.32 -4.98 105.19 109.92 3cx5 n GLY 11 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 3.53 0.64 -0.08 1.61 -0.11 -1.10 -4.87 118.94 118.57 3cx5 s TRP 12 Ca 0.00 -1.05 -0.37 0.00 1.22 0.00 0.00 56.10 55.90 3cx5 s TRP 12 Cb 0.00 0.28 -0.15 0.00 -1.50 0.00 0.00 33.47 32.10 3cx5 s TRP 12 CO 0.00 -1.28 1.64 0.91 -4.62 0.00 0.00 176.95 173.60 3cx5 n TRP 13 N -0.54 2.00 0.00 5.86 7.02 -1.26 -0.91 117.44 129.61 3cx5 n TRP 13 Ca -0.03 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.87 3cx5 n TRP 13 Cb 0.61 -2.48 0.00 0.00 -2.42 0.00 0.00 31.31 27.02 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 3.68 3.23 2.60 6.99 0.00 -1.26 -4.84 105.19 115.58 3cx5 n GLY 14 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.40 -1.90 0.29 1.61 1.44 -0.09 -5.00 115.22 110.18 3cx5 n HIS 15 Ca 0.00 -2.53 0.17 0.00 -2.01 0.00 0.00 57.72 53.35 3cx5 n HIS 15 Cb 0.00 1.05 0.89 0.00 0.12 0.00 0.00 29.99 32.05 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 2.87 0.00 0.00 -1.40 4.05 -1.67 -2.92 114.93 115.86 3cx5 h MET 16 Ca -0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3cx5 h MET 16 Cb 1.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 3cx5 h MET 16 CO 0.21 0.04 0.00 0.41 0.23 0.00 0.00 176.91 177.80 3cx5 n GLY 17 N -0.67 0.96 3.14 1.39 0.00 -1.26 -1.18 105.19 107.58 3cx5 n GLY 17 Ca -0.02 -0.00 -0.19 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 0.56 3.83 -0.02 0.00 -1.26 -4.97 105.19 101.24 3cx5 n GLY 18 Ca 0.00 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.63 3.09 0.23 1.61 0.04 -1.26 -4.98 135.00 129.10 3cx5 s PRO 19 Ca 0.54 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 3cx5 s PRO 19 Cb -0.03 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 3cx5 s PRO 19 CO 0.36 -0.98 1.48 0.15 0.04 0.00 0.00 177.00 178.05 3cx5 s LYS 20 N -5.03 4.24 -0.10 4.56 1.02 -1.26 -5.00 119.74 118.18 3cx5 s LYS 20 Ca 0.58 2.33 -0.03 0.00 0.02 0.00 0.00 55.97 58.87 3cx5 s LYS 20 Cb -0.13 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 3cx5 s LYS 20 CO 0.54 -0.48 0.02 -0.65 -0.92 0.00 0.00 175.35 173.86 3cx5 s GLN 21 N -0.05 3.12 -0.24 1.68 -0.21 -1.26 -5.10 119.66 117.61 3cx5 s GLN 21 Ca 0.62 -0.37 -0.26 0.00 0.02 0.00 0.00 55.36 55.37 3cx5 s GLN 21 Cb -0.43 -2.87 0.08 0.00 1.00 0.00 0.00 33.01 30.79 3cx5 s GLN 21 CO 0.41 0.67 0.77 0.21 -2.12 0.00 0.00 175.29 175.23 3cx5 s LYS 22 N -0.78 0.82 0.00 2.91 2.20 -1.26 -4.95 119.74 118.67 3cx5 s LYS 22 Ca 0.12 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 3cx5 s LYS 22 Cb -0.12 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3cx5 s LYS 22 CO 0.02 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 3cx5 n GLY 23 N 2.34 1.34 3.76 5.54 0.00 -1.26 -5.04 105.19 111.87 3cx5 n GLY 23 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.41 5.27 -0.09 -0.61 1.01 -1.26 -5.07 121.20 118.03 3cx5 s ILE 24 Ca 0.00 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.27 3cx5 s ILE 24 Cb 0.00 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.84 3cx5 s ILE 24 CO 0.00 0.43 -0.16 -0.89 0.00 0.00 0.00 174.94 174.32 3cx5 s THR 25 N 0.12 1.52 0.14 2.92 2.01 -1.26 -5.13 115.64 115.94 3cx5 s THR 25 Ca 0.18 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.57 3cx5 s THR 25 Cb -0.14 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3cx5 s THR 25 CO 0.06 0.44 -0.05 -0.94 -0.69 0.00 0.00 174.62 173.44 3cx5 s SER 26 N 0.72 4.61 0.03 3.53 1.04 -1.26 -5.13 113.70 117.23 3cx5 s SER 26 Ca -0.12 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3cx5 s SER 26 Cb -0.16 -0.94 -0.02 0.00 0.10 0.00 0.00 66.02 65.00 3cx5 s SER 26 CO 0.03 0.14 -0.08 -0.31 0.98 0.00 0.00 173.24 174.00 3cx5 s TYR 27 N -1.48 0.68 0.09 5.02 1.51 -1.26 -5.16 117.35 116.75 3cx5 s TYR 27 Ca 0.25 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.82 3cx5 s TYR 27 Cb -0.10 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.36 3cx5 s TYR 27 CO 0.16 -0.05 0.31 0.00 -1.11 0.00 0.00 175.55 174.87 3cx5 s ALA 28 N -0.93 -0.63 0.04 3.71 0.00 -1.26 -5.17 121.76 117.51 3cx5 s ALA 28 Ca -0.05 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3cx5 s ALA 28 Cb -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 3cx5 s ALA 28 CO 0.00 -0.54 -0.20 0.08 0.00 0.00 0.00 175.76 175.11 3cx5 s VAL 29 N -3.51 1.58 0.35 0.00 1.01 -1.26 -5.12 120.40 113.44 3cx5 s VAL 29 Ca 0.02 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 3cx5 s VAL 29 Cb 0.02 -1.37 -0.11 0.00 0.00 0.00 0.00 36.38 34.92 3cx5 s VAL 29 CO -0.10 0.19 1.51 -0.55 0.00 0.00 0.00 175.10 176.16 3cx5 s SER 30 N -1.13 6.37 0.48 3.32 0.15 -1.26 -4.88 113.70 116.74 3cx5 s SER 30 Ca 0.07 3.00 0.16 0.00 0.70 0.00 0.00 55.95 59.88 3cx5 s SER 30 Cb -0.09 -2.66 1.16 0.00 -1.71 0.00 0.00 66.02 62.73 3cx5 s SER 30 CO 0.02 -0.87 2.06 -0.65 1.20 0.00 0.00 173.24 174.99 3cx5 h PRO 31 N 3.64 0.19 0.00 5.44 0.11 -2.00 -0.59 132.00 138.79 3cx5 h PRO 31 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3cx5 h PRO 31 Cb 1.23 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cx5 h PRO 31 CO 0.69 0.13 -0.13 1.88 -0.21 0.00 0.00 178.00 180.36 3cx5 h TYR 32 N 0.20 0.00 -0.29 0.65 -1.99 -2.01 -2.43 116.97 111.09 3cx5 h TYR 32 Ca 0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.87 3cx5 h TYR 32 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 3cx5 h TYR 32 CO -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 178.16 178.29 3cx5 n ALA 33 N -2.27 2.46 -2.85 3.88 0.00 -0.23 -4.95 120.51 116.54 3cx5 n ALA 33 Ca -0.02 -0.80 -0.25 0.00 0.00 0.00 0.00 53.44 52.38 3cx5 n ALA 33 Cb 0.26 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.62 3.08 0.14 0.00 -0.21 -0.92 -5.00 119.66 115.14 3cx5 s GLN 34 Ca 0.36 -0.83 -0.33 0.00 0.02 0.00 0.00 55.36 54.58 3cx5 s GLN 34 Cb 0.20 -2.73 -0.12 0.00 1.00 0.00 0.00 33.01 31.37 3cx5 s GLN 34 CO 0.29 0.47 1.73 1.63 -2.12 0.00 0.00 175.29 177.29 3cx5 n LYS 35 N -0.66 2.54 -0.58 2.91 5.02 -1.26 -4.77 118.16 121.35 3cx5 n LYS 35 Ca -0.08 0.92 -0.17 0.00 -2.02 0.00 0.00 58.31 56.96 3cx5 n LYS 35 Cb 0.55 -2.76 -0.04 0.00 -0.02 0.00 0.00 35.03 32.76 3cx5 n LYS 35 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3cx5 n PRO 36 N 4.52 0.00 -4.12 1.97 -0.04 -1.26 -4.07 135.00 132.00 3cx5 n PRO 36 Ca 0.17 -0.45 -0.32 0.00 -0.04 0.00 0.00 63.50 62.87 3cx5 n PRO 36 Cb 0.33 -1.71 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 5.63 -0.66 -0.00 1.53 4.77 -1.26 -4.84 117.00 122.16 3cx5 n LEU 37 Ca 0.17 -1.17 0.08 0.00 -0.03 0.00 0.00 56.01 55.07 3cx5 n LEU 37 Cb 0.24 -1.43 -0.11 0.00 -2.33 0.00 0.00 43.42 39.79 3cx5 n LEU 37 CO 0.60 0.51 -0.24 0.00 -1.33 0.00 0.00 177.39 176.94 3cx5 n GLN 38 N -4.36 1.16 -0.56 3.23 10.64 -1.26 -4.48 117.38 121.75 3cx5 n GLN 38 Ca -0.25 -0.05 -0.07 0.00 -1.83 0.00 0.00 57.00 54.81 3cx5 n GLN 38 Cb 0.60 -1.33 0.02 0.00 -0.86 0.00 0.00 30.24 28.67 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 1.43 3.03 0.00 2.61 0.00 -1.26 -4.45 105.19 106.54 3cx5 n GLY 39 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3cx5 n GLY 39 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cx5 n ILE 40 N 0.72 0.00 -1.41 -0.61 5.41 -1.26 -4.45 119.36 117.76 3cx5 n ILE 40 Ca 0.13 0.28 -0.35 0.00 1.00 0.00 0.00 62.75 63.82 3cx5 n ILE 40 Cb 0.60 -0.77 0.10 0.00 -0.71 0.00 0.00 39.64 38.85 3cx5 n ILE 40 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3cx5 s PHE 41 N -0.54 1.98 0.00 1.39 2.99 -1.26 -0.68 117.98 121.86 3cx5 s PHE 41 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 56.93 58.53 3cx5 s PHE 41 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 43.02 39.49 3cx5 s PHE 41 CO 0.00 -2.75 0.00 1.58 -0.00 0.00 0.00 175.22 174.05 3cx5 n HIS 42 N -2.70 0.00 0.66 0.36 -0.00 -1.26 -4.41 115.22 107.87 3cx5 n HIS 42 Ca 0.14 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.93 3cx5 n HIS 42 Cb 0.50 -0.01 0.02 0.00 -0.00 0.00 0.00 29.99 30.50 3cx5 n HIS 42 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3cx5 n ASN 43 N 0.63 1.79 0.00 0.26 4.13 -1.08 -4.50 115.26 116.49 3cx5 n ASN 43 Ca 0.00 -1.39 0.00 0.00 1.68 0.00 0.00 54.58 54.87 3cx5 n ASN 43 Cb 0.00 0.32 0.00 0.00 -1.54 0.00 0.00 39.78 38.56 3cx5 n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cx5 n ALA 44 N 0.18 0.00 0.05 5.41 0.00 0.14 -4.73 120.51 121.57 3cx5 n ALA 44 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 3cx5 n ALA 44 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 3cx5 n ALA 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3cx5 h VAL 45 N 0.00 1.48 0.15 0.00 3.04 -1.81 -1.34 116.25 117.77 3cx5 h VAL 45 Ca 0.00 -3.17 -0.29 0.00 -1.01 0.00 0.00 66.70 62.23 3cx5 h VAL 45 Cb 0.00 2.72 0.01 0.00 -2.01 0.00 0.00 31.29 32.01 3cx5 h VAL 45 CO 0.00 0.84 -1.32 2.19 -1.01 0.00 0.00 177.57 178.27 3cx5 h PHE 46 N 0.00 0.59 -0.20 3.17 -5.15 -1.89 -3.27 116.94 110.19 3cx5 h PHE 46 Ca -0.05 -0.43 -0.18 0.00 -0.20 0.00 0.00 57.97 57.11 3cx5 h PHE 46 Cb 1.77 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 37.91 3cx5 h PHE 46 CO 0.00 1.35 -0.59 -0.97 -2.00 0.00 0.00 178.31 176.10 3cx5 h ASN 47 N 0.09 0.75 -4.01 -0.68 -1.24 -1.85 -3.32 115.58 105.32 3cx5 h ASN 47 Ca -0.17 -0.42 -0.51 0.00 0.71 0.00 0.00 56.30 55.91 3cx5 h ASN 47 Cb 2.02 -0.22 0.07 0.00 0.73 0.00 0.00 38.32 40.92 3cx5 h ASN 47 CO 0.21 1.17 0.48 -0.55 -1.29 0.00 0.00 177.43 177.46 3cx5 s SER 48 N -6.96 6.09 0.00 1.15 0.15 -0.51 -1.86 113.70 111.76 3cx5 s SER 48 Ca -0.08 2.30 0.00 0.00 0.70 0.00 0.00 55.95 58.87 3cx5 s SER 48 Cb 0.11 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 3cx5 s SER 48 CO 0.86 -0.97 0.00 0.49 1.20 0.00 0.00 173.24 174.82 3cx5 n PHE 49 N -0.61 0.00 0.11 3.44 3.01 -1.26 -4.59 117.46 117.57 3cx5 n PHE 49 Ca 0.08 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.34 3cx5 n PHE 49 Cb 0.48 -0.14 -0.15 0.00 -0.01 0.00 0.00 39.48 39.66 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 0.66 0.38 -0.29 -1.08 2.43 -1.49 -0.46 114.38 114.53 3cx5 h ARG 50 Ca 0.00 -0.66 -0.17 0.00 -0.81 0.00 0.00 59.98 58.35 3cx5 h ARG 50 Cb 0.00 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3cx5 h ARG 50 CO 0.00 1.30 -0.47 0.00 -1.51 0.00 0.00 179.97 179.29 3cx5 h ARG 51 N 0.10 0.83 0.00 0.20 3.08 -1.62 -3.01 114.38 113.96 3cx5 h ARG 51 Ca -0.21 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.33 3cx5 h ARG 51 Cb 2.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.17 3cx5 h ARG 51 CO 0.23 1.14 0.00 1.19 -1.07 0.00 0.00 179.97 181.45 3cx5 n PHE 52 N -4.09 0.42 0.14 3.04 3.72 -1.23 -2.44 117.46 117.01 3cx5 n PHE 52 Ca -0.04 0.13 0.02 0.00 -0.05 0.00 0.00 57.45 57.50 3cx5 n PHE 52 Cb 0.59 -0.70 0.04 0.00 -0.94 0.00 0.00 39.48 38.46 3cx5 n PHE 52 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3cx5 h LYS 53 N 0.00 0.00 0.00 -1.08 3.64 -0.94 0.28 116.57 118.47 3cx5 h LYS 53 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3cx5 h LYS 53 Cb 0.58 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3cx5 h LYS 53 CO 0.00 0.54 -0.62 0.77 -2.27 0.00 0.00 179.45 177.87 3cx5 h SER 54 N 0.00 0.00 0.00 4.20 0.02 -1.39 -3.39 113.55 112.99 3cx5 h SER 54 Ca -0.01 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3cx5 h SER 54 Cb 1.38 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 3cx5 h SER 54 CO 0.07 0.01 -1.61 0.00 -1.14 0.00 0.00 176.83 174.15 3cx5 n GLN 55 N -2.84 1.80 -0.34 3.45 1.13 -1.08 -4.76 117.38 114.74 3cx5 n GLN 55 Ca 0.01 -0.03 0.25 0.00 -1.94 0.00 0.00 57.00 55.29 3cx5 n GLN 55 Cb 0.55 -1.25 0.53 0.00 0.11 0.00 0.00 30.24 30.18 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 0.62 0.00 1.08 -5.15 -0.63 -0.71 116.94 112.16 3cx5 h PHE 56 Ca -0.19 0.02 -0.08 0.00 -0.20 0.00 0.00 57.97 57.53 3cx5 h PHE 56 Cb 1.28 -0.18 -0.01 0.00 0.22 0.00 0.00 35.95 37.26 3cx5 h PHE 56 CO 0.00 0.02 -0.36 -0.07 -2.00 0.00 0.00 178.31 175.90 3cx5 h LEU 57 N 0.34 0.00 -1.03 2.10 3.38 -1.84 0.56 115.31 118.81 3cx5 h LEU 57 Ca 0.63 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.49 3cx5 h LEU 57 Cb 1.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3cx5 h LEU 57 CO -0.31 0.36 -0.48 1.88 0.09 0.00 0.00 178.44 179.99 3cx5 h TYR 58 N 0.00 0.00 0.00 1.13 -1.99 -1.46 -2.69 116.97 111.96 3cx5 h TYR 58 Ca -0.00 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.49 3cx5 h TYR 58 Cb 0.66 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.36 3cx5 h TYR 58 CO 0.00 0.48 -1.33 0.28 -0.00 0.00 0.00 178.16 177.59 3cx5 n VAL 59 N -3.93 1.52 -0.19 -2.88 0.31 -0.92 -4.43 118.33 107.82 3cx5 n VAL 59 Ca -0.01 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.21 3cx5 n VAL 59 Cb 0.50 -2.07 0.03 0.00 -0.91 0.00 0.00 33.84 31.40 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 -1.00 0.61 0.19 7.52 7.12 0.02 -1.99 115.31 127.77 3cx5 h LEU 60 Ca -0.35 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.64 3cx5 h LEU 60 Cb 1.25 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 3cx5 h LEU 60 CO -0.21 0.44 -0.09 0.40 -0.13 0.00 0.00 178.44 178.84 3cx5 h ILE 61 N 0.72 0.86 -0.89 4.05 2.04 -1.69 0.41 117.51 123.01 3cx5 h ILE 61 Ca 0.20 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3cx5 h ILE 61 Cb -0.06 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3cx5 h ILE 61 CO -0.06 0.05 0.59 -0.65 0.00 0.00 0.00 178.15 178.09 3cx5 h PRO 62 N -0.37 1.15 -0.59 2.37 0.11 -1.76 -0.31 132.00 132.60 3cx5 h PRO 62 Ca -0.03 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 3cx5 h PRO 62 Cb 0.28 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 3cx5 h PRO 62 CO 0.04 0.76 0.23 0.00 -0.21 0.00 0.00 178.00 178.82 3cx5 h ALA 63 N 1.45 0.76 -0.51 -0.75 0.00 -1.08 -1.81 119.26 117.33 3cx5 h ALA 63 Ca 0.34 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3cx5 h ALA 63 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3cx5 h ALA 63 CO -0.08 0.38 0.15 0.78 0.00 0.00 0.00 179.25 180.48 3cx5 h GLY 64 N 0.81 0.86 0.81 0.00 0.00 0.62 0.13 103.07 106.30 3cx5 h GLY 64 Ca 0.20 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.04 3cx5 h GLY 64 CO -0.02 0.48 0.09 -2.22 0.00 0.00 0.00 176.54 174.87 3cx5 h ILE 65 N 0.70 0.94 -0.36 2.60 2.04 -0.87 -1.68 117.51 120.88 3cx5 h ILE 65 Ca 0.16 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.79 3cx5 h ILE 65 Cb 0.28 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3cx5 h ILE 65 CO -0.00 0.04 -0.41 1.88 0.00 0.00 0.00 178.15 179.66 3cx5 h TYR 66 N 0.20 1.07 -0.67 1.37 -1.99 -1.13 -1.89 116.97 113.93 3cx5 h TYR 66 Ca 0.11 -0.33 -0.08 0.00 2.00 0.00 0.00 58.73 60.43 3cx5 h TYR 66 Cb 0.07 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 3cx5 h TYR 66 CO -0.12 1.14 0.11 2.35 -0.00 0.00 0.00 178.16 181.64 3cx5 h TRP 67 N 0.72 1.19 -0.06 4.88 7.01 -0.63 -0.85 115.95 128.21 3cx5 h TRP 67 Ca 0.05 -0.16 -0.16 0.00 2.11 0.00 0.00 58.89 60.73 3cx5 h TRP 67 Cb 0.99 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.72 3cx5 h TRP 67 CO 0.06 0.99 -0.65 1.88 -2.79 0.00 0.00 178.44 177.93 3cx5 h TYR 68 N 1.04 0.32 -0.53 2.65 0.99 -1.30 -0.63 116.97 119.51 3cx5 h TYR 68 Ca 0.20 -0.13 -0.11 0.00 2.00 0.00 0.00 58.73 60.69 3cx5 h TYR 68 Cb 0.44 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 38.10 3cx5 h TYR 68 CO 0.03 0.82 -0.11 2.35 -0.00 0.00 0.00 178.16 181.25 3cx5 h TRP 69 N 0.17 1.11 0.09 4.88 7.01 -1.12 -1.06 115.95 127.03 3cx5 h TRP 69 Ca -0.01 -0.23 -0.00 0.00 2.11 0.00 0.00 58.89 60.75 3cx5 h TRP 69 Cb 1.18 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.96 3cx5 h TRP 69 CO 0.02 1.04 -0.04 2.35 -2.79 0.00 0.00 178.44 179.02 3cx5 h TRP 70 N 0.89 -0.11 -0.98 2.65 2.91 -0.99 -2.50 115.95 117.81 3cx5 h TRP 70 Ca 0.14 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.19 3cx5 h TRP 70 Cb 0.67 0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.30 3cx5 h TRP 70 CO 0.04 0.21 0.64 0.87 -1.03 0.00 0.00 178.44 179.17 3cx5 h LYS 71 N -0.43 1.20 -0.38 2.65 1.79 -1.04 0.31 116.57 120.68 3cx5 h LYS 71 Ca -0.01 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 3cx5 h LYS 71 Cb 0.36 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 3cx5 h LYS 71 CO 0.02 0.80 0.15 -0.97 -1.08 0.00 0.00 179.45 178.36 3cx5 h ASN 72 N 1.24 0.52 -0.29 0.86 -0.73 -1.18 -0.49 115.58 115.51 3cx5 h ASN 72 Ca 0.39 -0.17 -0.13 0.00 1.87 0.00 0.00 56.30 58.26 3cx5 h ASN 72 Cb 0.01 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.45 3cx5 h ASN 72 CO -0.13 0.55 -0.28 1.23 -0.37 0.00 0.00 177.43 178.44 3cx5 h GLY 73 N 0.46 0.87 0.95 1.57 0.00 -1.07 -1.64 103.07 104.21 3cx5 h GLY 73 Ca 0.12 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 3cx5 h GLY 73 CO -0.01 0.72 0.15 -0.57 0.00 0.00 0.00 176.54 176.83 3cx5 h ASN 74 N 0.68 0.64 -0.31 0.19 -1.24 -0.73 -0.71 115.58 114.10 3cx5 h ASN 74 Ca 0.08 -0.20 -0.11 0.00 0.71 0.00 0.00 56.30 56.79 3cx5 h ASN 74 Cb 0.82 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.68 3cx5 h ASN 74 CO 0.07 0.66 -0.18 -0.33 -1.29 0.00 0.00 177.43 176.37 3cx5 h GLU 75 N 0.57 0.78 -0.44 6.67 5.08 -1.01 -1.56 114.58 124.67 3cx5 h GLU 75 Ca 0.14 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3cx5 h GLU 75 Cb 0.25 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3cx5 h GLU 75 CO -0.01 0.90 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.86 3cx5 h TYR 76 N 0.69 0.89 -0.42 4.33 3.20 -1.11 -2.03 116.97 122.51 3cx5 h TYR 76 Ca 0.10 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.75 3cx5 h TYR 76 Cb 0.68 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3cx5 h TYR 76 CO 0.04 0.88 0.07 -0.97 -1.64 0.00 0.00 178.16 176.54 3cx5 h ASN 77 N 0.73 0.67 -0.59 -2.11 -0.73 -0.81 -0.81 115.58 111.94 3cx5 h ASN 77 Ca 0.12 -0.26 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 3cx5 h ASN 77 Cb 0.62 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 3cx5 h ASN 77 CO 0.04 0.76 0.36 -0.08 -0.37 0.00 0.00 177.43 178.15 3cx5 h GLU 78 N 0.56 0.80 -0.10 6.67 4.81 -1.11 -2.45 114.58 123.77 3cx5 h GLU 78 Ca 0.13 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3cx5 h GLU 78 Cb 0.38 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3cx5 h GLU 78 CO 0.01 0.56 -0.22 0.35 -0.73 0.00 0.00 179.01 178.98 3cx5 h PHE 79 N 0.82 0.40 -0.44 0.92 3.57 -1.07 -3.04 116.94 118.09 3cx5 h PHE 79 Ca 0.22 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.67 3cx5 h PHE 79 Cb -0.04 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 3cx5 h PHE 79 CO 0.00 0.83 0.31 -0.07 -2.23 0.00 0.00 178.31 177.15 3cx5 h LEU 80 N -0.13 0.13 -2.62 0.59 3.38 -0.84 -1.87 115.31 113.94 3cx5 h LEU 80 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cx5 h LEU 80 Cb 0.81 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3cx5 h LEU 80 CO 0.05 0.08 0.00 -1.22 0.09 0.00 0.00 178.44 177.44 3cx5 n TYR 81 N -4.44 0.91 -2.95 1.13 4.02 -0.95 -3.97 117.16 110.91 3cx5 n TYR 81 Ca 0.07 -0.46 -0.21 0.00 -0.01 0.00 0.00 57.90 57.30 3cx5 n TYR 81 Cb 0.41 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.75 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 -1.06 5.64 0.23 7.72 1.04 -0.71 -4.98 113.70 121.58 3cx5 s SER 82 Ca 0.47 0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.85 3cx5 s SER 82 Cb 0.25 -1.13 0.31 0.00 0.10 0.00 0.00 66.02 65.55 3cx5 s SER 82 CO 0.33 -0.82 1.84 0.50 0.98 0.00 0.00 173.24 176.07 3cx5 h LYS 83 N 0.40 0.90 0.00 4.02 3.64 -1.91 -1.93 116.57 121.68 3cx5 h LYS 83 Ca -0.44 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3cx5 h LYS 83 Cb 1.27 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3cx5 h LYS 83 CO 0.53 0.59 -0.07 0.00 -2.27 0.00 0.00 179.45 178.23 3cx5 h ALA 84 N 1.39 1.10 -0.03 5.00 0.00 -1.95 -2.91 119.26 121.87 3cx5 h ALA 84 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3cx5 h ALA 84 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3cx5 h ALA 84 CO -0.17 0.09 -0.03 0.41 0.00 0.00 0.00 179.25 179.55 3cx5 n GLY 85 N -0.44 0.87 0.37 0.00 0.00 -0.75 -4.52 105.19 100.73 3cx5 n GLY 85 Ca -0.01 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 4.41 0.64 0.39 1.61 0.11 -1.30 0.13 114.38 120.37 3cx5 h ARG 86 Ca 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 3cx5 h ARG 86 Cb 0.95 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.89 3cx5 h ARG 86 CO 0.00 0.42 -0.19 1.49 0.10 0.00 0.00 179.97 181.79 3cx5 h GLU 87 N 0.65 -0.51 0.00 0.08 4.57 -1.82 -2.15 114.58 115.40 3cx5 h GLU 87 Ca 0.41 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.56 3cx5 h GLU 87 Cb 0.67 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 3cx5 h GLU 87 CO -0.17 -0.27 -0.31 1.49 -1.18 0.00 0.00 179.01 178.57 3cx5 h GLU 88 N -0.64 0.00 -0.24 1.92 4.81 -1.76 -2.84 114.58 115.83 3cx5 h GLU 88 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3cx5 h GLU 88 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3cx5 h GLU 88 CO 0.09 0.31 0.08 1.25 -0.73 0.00 0.00 179.01 180.00 3cx5 h LEU 89 N 0.00 0.35 -1.42 1.64 7.12 -0.80 -1.00 115.31 121.19 3cx5 h LEU 89 Ca -0.00 -0.20 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 3cx5 h LEU 89 Cb 0.57 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.59 3cx5 h LEU 89 CO 0.04 0.45 0.27 -0.33 -0.13 0.00 0.00 178.44 178.74 3cx5 h GLU 90 N 0.22 0.66 0.08 1.25 5.08 -1.19 0.07 114.58 120.75 3cx5 h GLU 90 Ca 0.08 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3cx5 h GLU 90 Cb 0.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3cx5 h GLU 90 CO -0.00 0.49 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.36 3cx5 h ARG 91 N 0.67 -0.10 0.00 2.33 2.43 -1.24 -3.28 114.38 115.19 3cx5 h ARG 91 Ca 0.18 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3cx5 h ARG 91 Cb 0.01 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3cx5 h ARG 91 CO -0.03 0.36 -0.12 -0.39 -1.51 0.00 0.00 179.97 178.28 3cx5 h VAL 92 N -0.62 0.00 0.01 0.20 -1.51 -1.10 -3.33 116.25 109.90 3cx5 h VAL 92 Ca -0.01 -0.85 -0.21 0.00 -1.23 0.00 0.00 66.70 64.40 3cx5 h VAL 92 Cb 0.51 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 3cx5 h VAL 92 CO 0.02 0.00 -0.91 -1.13 -1.23 0.00 0.00 177.57 174.32 3cx5 h ASN 93 N 0.00 0.33 0.00 4.19 -1.24 -1.09 -3.51 115.58 114.27 3cx5 h ASN 93 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.74 3cx5 h ASN 93 Cb 0.93 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.87 3cx5 h ASN 93 CO 0.00 1.08 0.00 0.52 -1.29 0.00 0.00 177.43 177.74