#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cvh s GLN 2 N 0.00 3.09 -0.05 0.38 -0.21 -1.26 -4.68 119.66 116.93 3cvh s GLN 2 Ca 0.00 -0.46 0.05 0.00 0.02 0.00 0.00 55.36 54.97 3cvh s GLN 2 Cb 0.00 -2.88 -0.00 0.00 1.00 0.00 0.00 33.01 31.13 3cvh s GLN 2 CO 0.00 0.66 -0.20 0.21 -2.12 0.00 0.00 175.29 173.84 3cvh s LYS 3 N -1.67 2.06 -0.16 2.91 2.47 -0.78 -4.95 119.74 119.62 3cvh s LYS 3 Ca 0.22 -0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 53.64 3cvh s LYS 3 Cb -0.12 -1.76 -0.01 0.00 -1.46 0.00 0.00 37.83 34.49 3cvh s LYS 3 CO 0.13 0.27 1.08 0.99 0.16 0.00 0.00 175.35 177.98 3cvh s THR 4 N 0.02 4.61 0.14 3.43 2.01 -1.25 -3.23 115.64 121.37 3cvh s THR 4 Ca -0.05 1.92 -0.31 0.00 0.31 0.00 0.00 61.69 63.56 3cvh s THR 4 Cb -0.13 -4.24 -0.08 0.00 0.01 0.00 0.00 72.50 68.06 3cvh s THR 4 CO 0.03 -0.09 1.39 -2.16 -0.69 0.00 0.00 174.62 173.10 3cvh s PRO 5 N 2.74 4.32 0.27 4.92 0.04 -1.20 -4.47 135.00 141.62 3cvh s PRO 5 Ca 0.48 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.59 3cvh s PRO 5 Cb -0.18 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.09 3cvh s PRO 5 CO 0.13 -0.41 0.52 -0.65 0.04 0.00 0.00 177.00 176.63 3cvh s GLN 6 N 0.78 3.61 0.01 4.56 -1.52 0.73 -4.93 119.66 122.90 3cvh s GLN 6 Ca 0.63 -0.06 0.01 0.00 -1.95 0.00 0.00 55.36 53.99 3cvh s GLN 6 Cb -0.38 -2.68 -0.01 0.00 -0.22 0.00 0.00 33.01 29.72 3cvh s GLN 6 CO 0.33 0.25 -0.03 0.42 -0.25 0.00 0.00 175.29 176.01 3cvh s ILE 7 N -2.04 0.17 0.03 1.08 1.01 -1.26 -1.09 121.20 119.10 3cvh s ILE 7 Ca 0.43 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.84 3cvh s ILE 7 Cb -0.11 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.15 3cvh s ILE 7 CO 0.30 -0.08 -0.18 -1.10 0.00 0.00 0.00 174.94 173.87 3cvh s GLN 8 N -0.41 1.24 -0.09 2.79 -0.21 -0.90 -4.98 119.66 117.11 3cvh s GLN 8 Ca -0.03 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.54 3cvh s GLN 8 Cb -0.03 -1.30 0.02 0.00 1.00 0.00 0.00 33.01 32.70 3cvh s GLN 8 CO -0.00 0.33 -0.12 0.08 -2.12 0.00 0.00 175.29 173.46 3cvh s VAL 9 N -0.74 1.23 -0.14 1.09 1.01 -1.26 -1.12 120.40 120.46 3cvh s VAL 9 Ca 0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3cvh s VAL 9 Cb -0.08 -1.14 0.12 0.00 0.00 0.00 0.00 36.38 35.27 3cvh s VAL 9 CO 0.01 0.38 0.93 -0.72 0.00 0.00 0.00 175.10 175.71 3cvh s TYR 10 N 0.96 -0.43 0.75 5.22 1.13 -0.85 -4.57 117.35 119.55 3cvh s TYR 10 Ca -0.08 0.75 -0.11 0.00 -1.41 0.00 0.00 57.07 56.21 3cvh s TYR 10 Cb -0.15 0.44 0.04 0.00 -1.10 0.00 0.00 41.96 41.19 3cvh s TYR 10 CO -0.00 -0.39 1.08 -1.54 -2.51 0.00 0.00 175.55 172.18 3cvh s SER 11 N -1.09 4.87 0.03 -0.18 1.04 -1.26 0.07 113.70 117.18 3cvh s SER 11 Ca -0.03 1.50 -0.21 0.00 0.48 0.00 0.00 55.95 57.68 3cvh s SER 11 Cb -0.00 -2.30 -0.15 0.00 0.10 0.00 0.00 66.02 63.67 3cvh s SER 11 CO 0.03 -1.75 1.35 -0.09 0.98 0.00 0.00 173.24 173.76 3cvh h ARG 12 N -0.93 0.29 -6.51 4.02 9.65 -0.57 -3.45 114.38 116.87 3cvh h ARG 12 Ca -0.45 -0.15 -0.62 0.00 -1.10 0.00 0.00 59.98 57.66 3cvh h ARG 12 Cb 1.24 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 29.60 3cvh h ARG 12 CO 0.57 0.67 -0.85 -1.01 2.80 0.00 0.00 179.97 182.16 3cvh s HIS 13 N -4.38 2.03 -0.13 2.20 3.76 -1.26 -5.05 115.29 112.46 3cvh s HIS 13 Ca -0.14 -0.40 -0.41 0.00 -0.15 0.00 0.00 55.06 53.95 3cvh s HIS 13 Cb 0.05 -1.11 -0.20 0.00 1.11 0.00 0.00 32.58 32.43 3cvh s HIS 13 CO 0.74 0.27 1.19 -2.30 -0.85 0.00 0.00 174.74 173.79 3cvh n PRO 14 N 1.01 0.00 -1.82 8.40 -0.02 -1.26 -4.82 135.00 136.49 3cvh n PRO 14 Ca -0.19 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.91 3cvh n PRO 14 Cb 0.53 -1.48 0.04 0.00 -0.02 0.00 0.00 33.50 32.58 3cvh n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3cvh s PRO 15 N 0.81 3.07 -0.17 0.52 0.04 -1.26 -5.04 135.00 132.96 3cvh s PRO 15 Ca 0.93 2.15 -0.05 0.00 0.04 0.00 0.00 61.00 64.08 3cvh s PRO 15 Cb -1.31 -2.18 0.08 0.00 0.04 0.00 0.00 34.50 31.14 3cvh s PRO 15 CO 0.63 -1.22 0.29 -2.00 0.04 0.00 0.00 177.00 174.74 3cvh s GLU 16 N -3.00 0.21 -0.45 4.56 2.12 -1.26 -5.11 118.70 115.77 3cvh s GLU 16 Ca 0.73 0.66 -0.30 0.00 0.36 0.00 0.00 54.97 56.43 3cvh s GLU 16 Cb -0.39 -0.25 -0.09 0.00 0.26 0.00 0.00 34.13 33.66 3cvh s GLU 16 CO 0.45 -0.39 2.34 0.09 -0.54 0.00 0.00 175.26 177.21 3cvh n ASN 17 N 5.35 2.26 -0.35 -1.70 3.02 -1.24 -1.18 115.26 121.42 3cvh n ASN 17 Ca -0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3cvh n ASN 17 Cb 0.50 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 3cvh n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cvh n GLY 18 N 6.16 0.97 2.77 7.41 0.00 -1.12 -4.96 105.19 116.42 3cvh n GLY 18 Ca 0.40 -0.50 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 3cvh n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cvh s LYS 19 N -3.61 0.22 -0.10 1.61 2.20 -0.33 -5.07 119.74 114.66 3cvh s LYS 19 Ca 0.00 0.16 -0.35 0.00 -0.36 0.00 0.00 55.97 55.42 3cvh s LYS 19 Cb 0.00 -0.53 -0.12 0.00 -1.51 0.00 0.00 37.83 35.67 3cvh s LYS 19 CO 0.00 -0.20 1.85 -2.30 -0.36 0.00 0.00 175.35 174.33 3cvh n PRO 20 N 4.54 2.03 -3.61 4.03 -0.02 -1.26 -4.35 135.00 136.35 3cvh n PRO 20 Ca -0.19 0.74 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 3cvh n PRO 20 Cb 0.50 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 3cvh n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3cvh n ASN 21 N 6.29 0.43 -3.93 2.55 2.85 -0.14 -5.02 115.26 118.30 3cvh n ASN 21 Ca 0.23 -2.51 -0.18 0.00 -0.11 0.00 0.00 54.58 52.00 3cvh n ASN 21 Cb 0.27 0.91 -0.16 0.00 1.24 0.00 0.00 39.78 42.05 3cvh n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3cvh s ILE 22 N -2.76 0.50 -0.27 -1.44 1.01 -1.26 -1.81 121.20 115.17 3cvh s ILE 22 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 3cvh s ILE 22 Cb 0.01 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 3cvh s ILE 22 CO 0.14 0.18 0.09 -0.22 0.00 0.00 0.00 174.94 175.13 3cvh s LEU 23 N 0.44 3.62 0.03 2.97 2.96 -0.17 0.26 118.68 128.79 3cvh s LEU 23 Ca -0.06 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3cvh s LEU 23 Cb -0.09 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3cvh s LEU 23 CO -0.00 -0.09 0.34 0.20 -1.32 0.00 0.00 176.35 175.48 3cvh s ASN 24 N 1.59 6.61 -0.31 3.68 0.01 0.11 -1.92 114.94 124.71 3cvh s ASN 24 Ca 0.05 0.73 0.01 0.00 -0.71 0.00 0.00 52.86 52.94 3cvh s ASN 24 Cb -0.16 -2.15 0.10 0.00 0.41 0.00 0.00 41.25 39.44 3cvh s ASN 24 CO 0.04 0.24 0.06 0.00 -1.51 0.00 0.00 177.10 175.93 3cvh s TYR 26 N 1.32 3.20 -0.25 0.00 5.04 -0.28 -1.22 117.35 125.16 3cvh s TYR 26 Ca 0.09 -1.25 -0.12 0.00 -2.44 0.00 0.00 57.07 53.35 3cvh s TYR 26 Cb -0.18 -3.93 -0.05 0.00 0.35 0.00 0.00 41.96 38.15 3cvh s TYR 26 CO -0.17 -1.17 0.23 0.08 -1.34 0.00 0.00 175.55 173.18 3cvh s VAL 27 N 1.95 5.30 0.29 3.14 1.01 -0.90 -2.12 120.40 129.07 3cvh s VAL 27 Ca 0.11 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.42 3cvh s VAL 27 Cb -0.23 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 3cvh s VAL 27 CO 0.02 0.28 0.06 0.42 0.00 0.00 0.00 175.10 175.88 3cvh s THR 28 N 1.40 0.99 -1.00 3.92 -4.23 -0.25 -1.50 115.64 114.96 3cvh s THR 28 Ca 0.10 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 3cvh s THR 28 Cb -0.15 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 3cvh s THR 28 CO 0.07 -0.04 0.85 1.67 -0.54 0.00 0.00 174.62 176.62 3cvh n GLN 29 N -0.59 -4.36 -4.20 3.99 -0.06 -0.99 -0.19 117.38 110.99 3cvh n GLN 29 Ca -0.02 0.75 -0.12 0.00 -2.00 0.00 0.00 57.00 55.61 3cvh n GLN 29 Cb 0.66 -5.38 -0.10 0.00 -4.06 0.00 0.00 30.24 21.36 3cvh n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 3cvh s PHE 30 N -3.32 1.02 -0.29 3.69 -0.71 -1.21 -3.26 117.98 113.89 3cvh s PHE 30 Ca 0.15 -1.04 -0.18 0.00 -1.04 0.00 0.00 56.93 54.81 3cvh s PHE 30 Cb -0.02 -0.59 0.14 0.00 -1.21 0.00 0.00 43.02 41.35 3cvh s PHE 30 CO 0.64 -0.27 1.01 -1.58 -1.34 0.00 0.00 175.22 173.67 3cvh s HIS 31 N -3.75 -0.53 1.37 3.49 2.46 -1.20 -1.19 115.29 115.94 3cvh s HIS 31 Ca 0.20 1.10 -0.23 0.00 0.47 0.00 0.00 55.06 56.61 3cvh s HIS 31 Cb 0.06 0.35 0.35 0.00 -0.13 0.00 0.00 32.58 33.21 3cvh s HIS 31 CO 0.01 -0.26 1.00 -1.25 -2.47 0.00 0.00 174.74 171.76 3cvh s PRO 32 N 1.06 -2.54 0.00 2.88 0.04 -1.26 -1.87 135.00 133.31 3cvh s PRO 32 Ca -0.06 -0.03 0.24 0.00 0.04 0.00 0.00 61.00 61.18 3cvh s PRO 32 Cb -0.04 -1.44 1.35 0.00 0.04 0.00 0.00 34.50 34.41 3cvh s PRO 32 CO -0.13 -4.58 1.78 -0.35 0.04 0.00 0.00 177.00 173.76 3cvh n PRO 33 N -5.39 0.62 -2.08 0.56 -0.04 -1.26 -4.76 135.00 122.65 3cvh n PRO 33 Ca 0.14 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 3cvh n PRO 33 Cb 0.60 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 3cvh n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3cvh s HIS 34 N -2.17 2.07 0.00 0.54 3.76 -1.26 -4.96 115.29 113.26 3cvh s HIS 34 Ca 0.32 0.46 -0.21 0.00 -0.15 0.00 0.00 55.06 55.48 3cvh s HIS 34 Cb 0.16 -3.94 0.04 0.00 1.11 0.00 0.00 32.58 29.96 3cvh s HIS 34 CO 0.30 -3.19 0.47 -1.50 -0.85 0.00 0.00 174.74 169.97 3cvh s ILE 35 N 4.88 0.04 -0.05 0.60 2.07 -1.26 -4.46 121.20 123.01 3cvh s ILE 35 Ca 0.72 -0.30 0.01 0.00 -1.41 0.00 0.00 60.65 59.67 3cvh s ILE 35 Cb -0.27 -0.86 0.02 0.00 0.13 0.00 0.00 42.46 41.47 3cvh s ILE 35 CO 0.29 -0.17 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.38 3cvh s GLU 36 N -1.77 1.15 -0.17 3.50 2.12 -0.68 -5.02 118.70 117.82 3cvh s GLU 36 Ca -0.09 -0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.02 3cvh s GLU 36 Cb -0.02 -1.04 0.03 0.00 0.26 0.00 0.00 34.13 33.36 3cvh s GLU 36 CO 0.03 -0.04 -0.14 0.42 -0.54 0.00 0.00 175.26 174.99 3cvh s ILE 37 N 0.82 1.68 -0.10 -3.70 1.01 -1.26 -0.45 121.20 119.19 3cvh s ILE 37 Ca -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 3cvh s ILE 37 Cb -0.15 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3cvh s ILE 37 CO 0.01 0.39 -0.03 -1.10 0.00 0.00 0.00 174.94 174.21 3cvh s GLN 38 N 1.43 3.16 -0.12 2.79 -0.21 0.17 -4.96 119.66 121.90 3cvh s GLN 38 Ca 0.03 -0.49 -0.03 0.00 0.02 0.00 0.00 55.36 54.90 3cvh s GLN 38 Cb -0.14 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 3cvh s GLN 38 CO -0.10 0.53 -0.02 -1.64 -2.12 0.00 0.00 175.29 171.93 3cvh s MET 39 N -0.42 3.32 -0.00 2.91 -1.94 -1.26 1.00 119.30 122.91 3cvh s MET 39 Ca 0.07 -0.47 0.07 0.00 -1.71 0.00 0.00 55.69 53.65 3cvh s MET 39 Cb -0.12 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.85 3cvh s MET 39 CO 0.02 0.47 -0.22 -0.51 -0.01 0.00 0.00 175.02 174.77 3cvh s LEU 40 N -0.24 2.35 -0.29 -0.03 1.43 0.42 -1.57 118.68 120.77 3cvh s LEU 40 Ca 0.05 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3cvh s LEU 40 Cb -0.13 -1.42 0.06 0.00 0.03 0.00 0.00 46.19 44.74 3cvh s LEU 40 CO 0.02 0.30 -0.05 -0.75 0.23 0.00 0.00 176.35 176.10 3cvh s LYS 41 N -0.95 2.19 -1.42 1.70 2.20 0.50 -1.35 119.74 122.61 3cvh s LYS 41 Ca 0.12 -1.41 -0.09 0.00 -0.36 0.00 0.00 55.97 54.22 3cvh s LYS 41 Cb -0.10 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 3cvh s LYS 41 CO 0.01 -0.65 1.06 0.09 -0.36 0.00 0.00 175.35 175.51 3cvh n ASN 42 N 4.47 -6.05 0.00 1.43 3.02 0.12 -2.17 115.26 116.08 3cvh n ASN 42 Ca -0.11 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 3cvh n ASN 42 Cb 0.42 -4.79 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 3cvh n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cvh n GLY 43 N -1.88 2.52 3.72 7.41 0.00 -1.26 -4.97 105.19 110.73 3cvh n GLY 43 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3cvh n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cvh s LYS 44 N 0.00 4.35 0.13 1.61 2.20 -0.92 -5.03 119.74 122.08 3cvh s LYS 44 Ca 0.00 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 3cvh s LYS 44 Cb 0.00 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.82 3cvh s LYS 44 CO 0.00 0.16 1.22 -1.59 -0.36 0.00 0.00 175.35 174.78 3cvh s LYS 45 N 0.60 4.45 0.08 4.03 -2.85 -1.26 -0.37 119.74 124.41 3cvh s LYS 45 Ca 0.27 1.86 -0.31 0.00 -1.00 0.00 0.00 55.97 56.79 3cvh s LYS 45 Cb -0.15 -3.28 -0.07 0.00 -2.06 0.00 0.00 37.83 32.27 3cvh s LYS 45 CO 0.11 -0.20 1.29 0.42 0.10 0.00 0.00 175.35 177.08 3cvh s ILE 46 N 0.54 3.70 0.03 3.79 1.01 -0.61 -4.86 121.20 124.81 3cvh s ILE 46 Ca 0.57 1.21 -0.28 0.00 0.00 0.00 0.00 60.65 62.15 3cvh s ILE 46 Cb -0.32 -3.78 -0.17 0.00 0.01 0.00 0.00 42.46 38.20 3cvh s ILE 46 CO 0.33 0.09 1.35 1.55 0.00 0.00 0.00 174.94 178.25 3cvh h PRO 47 N 6.88 -0.64 -4.91 2.79 0.13 -1.94 -3.39 132.00 130.91 3cvh h PRO 47 Ca -0.41 0.04 -0.68 0.00 -0.87 0.00 0.00 66.00 64.08 3cvh h PRO 47 Cb 1.21 0.15 -0.18 0.00 0.13 0.00 0.00 31.00 32.30 3cvh h PRO 47 CO 0.84 -0.35 0.25 -1.59 -0.23 0.00 0.00 178.00 176.93 3cvh s LYS 48 N -5.16 3.07 -0.24 0.86 -2.85 -1.26 -5.00 119.74 109.17 3cvh s LYS 48 Ca -0.15 -1.19 -0.01 0.00 -1.00 0.00 0.00 55.97 53.62 3cvh s LYS 48 Cb 0.03 -4.26 0.03 0.00 -2.06 0.00 0.00 37.83 31.56 3cvh s LYS 48 CO 0.55 -1.63 -0.08 0.08 0.10 0.00 0.00 175.35 174.37 3cvh s VAL 49 N 3.09 2.76 0.39 1.79 1.01 -1.26 -4.55 120.40 123.64 3cvh s VAL 49 Ca 0.15 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3cvh s VAL 49 Cb -0.22 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3cvh s VAL 49 CO 0.07 0.24 0.71 -1.61 0.00 0.00 0.00 175.10 174.50 3cvh s GLU 50 N 1.31 3.65 -0.13 2.72 0.41 0.41 -4.93 118.70 122.14 3cvh s GLU 50 Ca 0.00 0.22 -0.10 0.00 -0.41 0.00 0.00 54.97 54.68 3cvh s GLU 50 Cb -0.16 -2.47 0.04 0.00 -1.78 0.00 0.00 34.13 29.76 3cvh s GLU 50 CO -0.05 -0.01 0.34 1.41 -0.49 0.00 0.00 175.26 176.45 3cvh s MET 51 N -4.07 0.37 1.29 1.61 -2.45 -1.26 -0.67 119.30 114.11 3cvh s MET 51 Ca 0.47 0.54 -0.21 0.00 -1.25 0.00 0.00 55.69 55.24 3cvh s MET 51 Cb -0.10 0.10 0.32 0.00 1.25 0.00 0.00 34.83 36.40 3cvh s MET 51 CO 0.35 -0.09 1.07 -1.54 1.05 0.00 0.00 175.02 175.87 3cvh s SER 52 N 0.58 0.19 0.30 1.11 1.04 0.74 -5.00 113.70 112.66 3cvh s SER 52 Ca -0.03 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 3cvh s SER 52 Cb -0.05 -0.79 -0.09 0.00 0.10 0.00 0.00 66.02 65.20 3cvh s SER 52 CO -0.03 -4.57 0.73 -1.81 0.98 0.00 0.00 173.24 168.54 3cvh s ASP 53 N -3.80 6.82 0.17 7.02 1.01 -1.26 -4.77 116.67 121.85 3cvh s ASP 53 Ca 0.71 1.30 -0.30 0.00 0.71 0.00 0.00 52.55 54.97 3cvh s ASP 53 Cb -0.09 -2.38 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 3cvh s ASP 53 CO 0.56 -0.16 1.34 -0.32 0.21 0.00 0.00 175.17 176.80 3cvh s MET 54 N -2.80 4.36 0.29 8.23 1.75 -1.26 -4.80 119.30 125.06 3cvh s MET 54 Ca 0.52 2.06 -0.01 0.00 -1.25 0.00 0.00 55.69 57.01 3cvh s MET 54 Cb -0.11 -3.21 -0.02 0.00 2.84 0.00 0.00 34.83 34.32 3cvh s MET 54 CO 0.18 -0.33 0.34 -1.54 -0.65 0.00 0.00 175.02 173.02 3cvh s SER 55 N 0.64 0.78 0.04 1.11 1.04 -1.20 -5.06 113.70 111.05 3cvh s SER 55 Ca 0.60 -1.45 0.02 0.00 0.48 0.00 0.00 55.95 55.60 3cvh s SER 55 Cb -0.37 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 3cvh s SER 55 CO 0.35 -1.10 -0.08 0.72 0.98 0.00 0.00 173.24 174.11 3cvh s PHE 56 N -3.56 0.68 0.78 5.02 -0.71 -1.26 -1.30 117.98 117.64 3cvh s PHE 56 Ca 0.34 -0.51 -0.10 0.00 -1.04 0.00 0.00 56.93 55.62 3cvh s PHE 56 Cb 0.02 -0.41 0.09 0.00 -1.21 0.00 0.00 43.02 41.51 3cvh s PHE 56 CO 0.19 -0.08 1.13 -1.12 -1.34 0.00 0.00 175.22 173.99 3cvh s SER 57 N -1.63 4.45 0.00 1.98 0.01 -0.05 -4.93 113.70 113.52 3cvh s SER 57 Ca -0.09 0.55 0.05 0.00 1.31 0.00 0.00 55.95 57.77 3cvh s SER 57 Cb -0.10 -1.04 0.29 0.00 0.21 0.00 0.00 66.02 65.39 3cvh s SER 57 CO 0.00 -1.89 0.93 0.29 0.41 0.00 0.00 173.24 172.99 3cvh n LYS 58 N -3.20 0.11 -0.23 12.44 5.02 -1.26 -1.61 118.16 129.43 3cvh n LYS 58 Ca 0.09 0.15 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 3cvh n LYS 58 Cb 0.61 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 34.31 3cvh n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3cvh n ASP 59 N -1.18 3.20 0.00 4.39 5.75 -1.26 -4.98 116.55 122.47 3cvh n ASP 59 Ca 0.03 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 3cvh n ASP 59 Cb 0.03 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3cvh n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3cvh n TRP 60 N 0.72 0.00 -2.66 2.11 5.03 -0.63 -5.04 117.44 116.96 3cvh n TRP 60 Ca 0.15 0.00 -0.35 0.00 3.03 0.00 0.00 57.50 60.32 3cvh n TRP 60 Cb 0.49 0.00 -0.05 0.00 -1.03 0.00 0.00 31.31 30.72 3cvh n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 3cvh s SER 61 N -1.59 6.86 0.24 -0.99 1.04 -1.26 -4.75 113.70 113.25 3cvh s SER 61 Ca 0.00 1.89 -0.13 0.00 0.48 0.00 0.00 55.95 58.18 3cvh s SER 61 Cb 0.00 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.47 3cvh s SER 61 CO 0.00 -0.41 0.63 -0.36 0.98 0.00 0.00 173.24 174.08 3cvh s PHE 62 N -1.83 3.47 0.02 5.02 0.40 -0.33 -0.88 117.98 123.85 3cvh s PHE 62 Ca 0.59 1.08 0.01 0.00 -0.60 0.00 0.00 56.93 58.01 3cvh s PHE 62 Cb -0.17 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 40.93 3cvh s PHE 62 CO 0.22 0.26 -0.05 1.52 0.70 0.00 0.00 175.22 177.87 3cvh s TYR 63 N -1.76 0.40 -0.07 0.36 -0.85 -0.42 -2.35 117.35 112.67 3cvh s TYR 63 Ca 0.47 -0.31 -0.12 0.00 -0.52 0.00 0.00 57.07 56.59 3cvh s TYR 63 Cb -0.12 -0.25 0.03 0.00 0.38 0.00 0.00 41.96 41.99 3cvh s TYR 63 CO 0.20 -0.07 0.30 -1.50 -1.52 0.00 0.00 175.55 172.95 3cvh s ILE 64 N -0.82 0.03 -0.27 -3.49 1.10 -0.56 -3.27 121.20 113.92 3cvh s ILE 64 Ca -0.06 -0.22 -0.06 0.00 -0.51 0.00 0.00 60.65 59.80 3cvh s ILE 64 Cb -0.06 -0.51 -0.00 0.00 0.15 0.00 0.00 42.46 42.04 3cvh s ILE 64 CO -0.00 -0.12 0.05 -0.22 -2.11 0.00 0.00 174.94 172.53 3cvh s LEU 65 N -0.48 3.55 -0.10 8.50 2.96 -1.26 -2.12 118.68 129.73 3cvh s LEU 65 Ca -0.06 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.26 3cvh s LEU 65 Cb -0.04 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3cvh s LEU 65 CO 0.02 -0.13 0.02 0.00 -1.32 0.00 0.00 176.35 174.95 3cvh s ALA 66 N 1.51 3.36 -0.03 5.97 0.00 -0.36 -0.18 121.76 132.03 3cvh s ALA 66 Ca 0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 3cvh s ALA 66 Cb -0.16 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.41 3cvh s ALA 66 CO 0.01 0.55 0.36 -3.38 0.00 0.00 0.00 175.76 173.30 3cvh s HIS 67 N -0.77 -0.26 0.14 0.00 -3.43 0.15 0.18 115.29 111.30 3cvh s HIS 67 Ca 0.12 0.43 -0.04 0.00 -0.80 0.00 0.00 55.06 54.77 3cvh s HIS 67 Cb -0.12 0.14 -0.03 0.00 -1.43 0.00 0.00 32.58 31.14 3cvh s HIS 67 CO 0.02 -0.40 0.14 -0.08 -2.00 0.00 0.00 174.74 172.42 3cvh s THR 68 N -1.17 0.10 -0.07 -5.38 -1.32 -0.81 -0.45 115.64 106.55 3cvh s THR 68 Ca -0.12 -1.69 -0.17 0.00 -1.21 0.00 0.00 61.69 58.49 3cvh s THR 68 Cb -0.04 -1.91 -0.05 0.00 -1.51 0.00 0.00 72.50 68.98 3cvh s THR 68 CO 0.05 -0.45 0.46 -1.61 -2.21 0.00 0.00 174.62 170.86 3cvh s GLU 69 N -4.00 4.21 -0.06 7.08 2.02 -1.26 -1.00 118.70 125.68 3cvh s GLU 69 Ca 0.20 0.46 -0.18 0.00 0.02 0.00 0.00 54.97 55.47 3cvh s GLU 69 Cb 0.06 -3.36 0.04 0.00 0.10 0.00 0.00 34.13 30.97 3cvh s GLU 69 CO -0.00 0.36 0.42 -0.59 0.02 0.00 0.00 175.26 175.47 3cvh s PHE 70 N -0.04 -0.35 -0.44 1.61 -0.71 -0.75 -4.92 117.98 112.38 3cvh s PHE 70 Ca 0.25 0.67 -0.12 0.00 -1.04 0.00 0.00 56.93 56.69 3cvh s PHE 70 Cb -0.16 0.18 0.08 0.00 -1.21 0.00 0.00 43.02 41.91 3cvh s PHE 70 CO 0.12 -0.40 0.32 0.99 -1.34 0.00 0.00 175.22 174.91 3cvh s THR 71 N -0.92 4.64 -0.51 -4.49 2.01 -1.26 -0.96 115.64 114.14 3cvh s THR 71 Ca -0.10 -1.29 -0.26 0.00 0.31 0.00 0.00 61.69 60.35 3cvh s THR 71 Cb -0.04 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 3cvh s THR 71 CO 0.05 -0.55 2.27 -2.16 -0.69 0.00 0.00 174.62 173.54 3cvh s PRO 72 N 1.51 2.26 0.64 4.92 0.04 -1.26 -4.79 135.00 138.32 3cvh s PRO 72 Ca 0.03 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 3cvh s PRO 72 Cb -0.24 -4.53 -0.01 0.00 0.04 0.00 0.00 34.50 29.76 3cvh s PRO 72 CO 0.04 -3.11 1.02 0.95 0.04 0.00 0.00 177.00 175.94 3cvh s THR 73 N 11.34 4.17 0.24 1.26 -4.23 -1.26 -2.81 115.64 124.34 3cvh s THR 73 Ca 0.91 0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 61.94 3cvh s THR 73 Cb -0.17 -3.68 0.24 0.00 1.34 0.00 0.00 72.50 70.23 3cvh s THR 73 CO 0.25 -0.86 1.67 -0.08 -0.54 0.00 0.00 174.62 175.06 3cvh h GLU 74 N -0.38 0.20 0.00 3.99 4.57 -1.93 -3.35 114.58 117.69 3cvh h GLU 74 Ca -0.45 -0.01 -0.33 0.00 -1.18 0.00 0.00 59.36 57.40 3cvh h GLU 74 Cb 1.22 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.71 3cvh h GLU 74 CO 0.63 0.13 -2.23 -2.37 -1.18 0.00 0.00 179.01 173.99 3cvh n THR 75 N -5.22 1.24 -2.07 0.32 5.66 -1.26 -5.02 114.28 107.92 3cvh n THR 75 Ca 0.14 -0.58 -0.40 0.00 -3.05 0.00 0.00 64.05 60.16 3cvh n THR 75 Cb 0.46 -1.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.23 3cvh n THR 75 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3cvh s ASP 76 N -5.75 6.55 -0.03 1.09 1.01 -1.26 -5.02 116.67 113.26 3cvh s ASP 76 Ca -0.22 2.69 0.01 0.00 0.71 0.00 0.00 52.55 55.75 3cvh s ASP 76 Cb 0.07 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3cvh s ASP 76 CO 0.59 -0.69 -0.03 -0.89 0.21 0.00 0.00 175.17 174.36 3cvh s THR 77 N -1.19 3.96 0.10 -1.27 2.01 -1.26 -4.68 115.64 113.30 3cvh s THR 77 Ca 0.52 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 62.03 3cvh s THR 77 Cb -0.39 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 3cvh s THR 77 CO 0.52 0.48 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.48 3cvh s TYR 78 N -0.96 1.25 0.18 4.92 1.51 -1.26 0.11 117.35 123.10 3cvh s TYR 78 Ca 0.16 -0.54 -0.23 0.00 -1.01 0.00 0.00 57.07 55.45 3cvh s TYR 78 Cb -0.11 -0.68 0.06 0.00 -0.11 0.00 0.00 41.96 41.12 3cvh s TYR 78 CO 0.06 0.08 0.68 0.00 -1.11 0.00 0.00 175.55 175.26 3cvh s ALA 79 N -1.84 -1.51 -0.12 3.71 0.00 -0.46 -0.84 121.76 120.70 3cvh s ALA 79 Ca 0.04 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3cvh s ALA 79 Cb -0.07 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.89 3cvh s ALA 79 CO 0.02 -0.85 -0.20 0.00 0.00 0.00 0.00 175.76 174.73 3cvh s ARG 81 N 0.75 3.14 -0.21 0.00 3.52 0.28 -1.37 118.95 125.05 3cvh s ARG 81 Ca -0.10 -0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 54.72 3cvh s ARG 81 Cb -0.16 -2.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.63 3cvh s ARG 81 CO 0.01 -0.08 -0.13 0.08 -0.81 0.00 0.00 175.30 174.37 3cvh s VAL 82 N 1.03 2.47 -0.33 7.11 1.01 -0.13 0.41 120.40 131.97 3cvh s VAL 82 Ca -0.01 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 3cvh s VAL 82 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3cvh s VAL 82 CO -0.04 0.38 0.44 -0.54 0.00 0.00 0.00 175.10 175.34 3cvh s LYS 83 N 1.31 3.67 -0.00 2.72 -0.14 0.41 -1.88 119.74 125.82 3cvh s LYS 83 Ca 0.03 -0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.43 3cvh s LYS 83 Cb -0.15 -3.78 -0.00 0.00 -1.68 0.00 0.00 37.83 32.22 3cvh s LYS 83 CO -0.09 -0.55 -0.01 -1.58 -0.76 0.00 0.00 175.35 172.37 3cvh s HIS 84 N 2.22 0.09 -2.00 3.18 2.46 -1.26 -1.69 115.29 118.29 3cvh s HIS 84 Ca 0.16 -0.03 0.12 0.00 0.47 0.00 0.00 55.06 55.78 3cvh s HIS 84 Cb -0.16 -0.06 0.70 0.00 -0.13 0.00 0.00 32.58 32.93 3cvh s HIS 84 CO 0.12 -0.01 1.13 -0.25 -2.47 0.00 0.00 174.74 173.26 3cvh n ASP 85 N 3.01 0.00 -0.40 9.88 8.00 -1.26 -2.11 116.55 133.67 3cvh n ASP 85 Ca -0.12 -0.41 0.12 0.00 0.71 0.00 0.00 54.79 55.09 3cvh n ASP 85 Cb 0.60 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.81 3cvh n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3cvh n SER 86 N -0.98 1.69 -3.84 -2.24 3.41 -1.26 -4.86 113.62 105.55 3cvh n SER 86 Ca 0.09 -1.31 -0.17 0.00 -0.26 0.00 0.00 58.87 57.23 3cvh n SER 86 Cb 0.04 0.39 -0.16 0.00 -0.26 0.00 0.00 64.21 64.22 3cvh n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cvh s MET 87 N -2.50 0.31 0.52 4.33 0.00 -0.90 -4.90 119.30 116.15 3cvh s MET 87 Ca 0.20 0.04 0.27 0.00 0.00 0.00 0.00 55.69 56.20 3cvh s MET 87 Cb 0.18 -0.45 1.41 0.00 0.00 0.00 0.00 34.83 35.98 3cvh s MET 87 CO 0.57 -0.10 2.06 0.00 0.00 0.00 0.00 175.02 177.55 3cvh h ALA 88 N 7.06 1.29 -4.06 3.16 0.00 -1.89 -3.43 119.26 121.39 3cvh h ALA 88 Ca -0.40 -0.11 -0.69 0.00 0.00 0.00 0.00 54.91 53.70 3cvh h ALA 88 Cb 1.14 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.68 3cvh h ALA 88 CO 0.48 0.16 -0.85 -1.21 0.00 0.00 0.00 179.25 177.83 3cvh s GLU 89 N -4.20 1.77 0.36 0.00 0.41 -1.26 -5.09 118.70 110.70 3cvh s GLU 89 Ca -0.03 -1.14 -0.28 0.00 -0.41 0.00 0.00 54.97 53.11 3cvh s GLU 89 Cb 0.13 -2.03 -0.10 0.00 -1.78 0.00 0.00 34.13 30.36 3cvh s GLU 89 CO 0.59 0.50 1.32 -2.14 -0.49 0.00 0.00 175.26 175.04 3cvh s PRO 90 N -1.58 4.19 -0.14 0.39 0.02 -1.26 -4.85 135.00 131.77 3cvh s PRO 90 Ca 0.14 2.22 -0.17 0.00 0.02 0.00 0.00 61.00 63.21 3cvh s PRO 90 Cb -0.10 -2.94 -0.04 0.00 0.02 0.00 0.00 34.50 31.43 3cvh s PRO 90 CO 0.05 -0.33 0.43 0.21 -0.33 0.00 0.00 177.00 177.03 3cvh s LYS 91 N -1.99 4.30 -0.17 5.54 2.20 -0.79 -4.88 119.74 123.95 3cvh s LYS 91 Ca 0.52 0.35 -0.00 0.00 -0.36 0.00 0.00 55.97 56.49 3cvh s LYS 91 Cb -0.40 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.48 3cvh s LYS 91 CO 0.52 0.14 -0.15 0.99 -0.36 0.00 0.00 175.35 176.49 3cvh s THR 92 N 0.70 2.53 -0.20 3.43 2.01 -1.26 -0.95 115.64 121.90 3cvh s THR 92 Ca 0.23 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 3cvh s THR 92 Cb -0.15 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.29 3cvh s THR 92 CO 0.09 0.51 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 3cvh s VAL 93 N 1.11 2.78 0.29 3.82 1.01 -0.47 -4.97 120.40 123.96 3cvh s VAL 93 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 3cvh s VAL 93 Cb -0.14 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 3cvh s VAL 93 CO -0.05 0.48 0.82 -0.31 0.00 0.00 0.00 175.10 176.04 3cvh s TYR 94 N 1.33 3.59 -0.44 5.22 1.51 -1.26 -1.04 117.35 126.25 3cvh s TYR 94 Ca 0.04 1.51 -0.29 0.00 -1.01 0.00 0.00 57.07 57.33 3cvh s TYR 94 Cb -0.14 -2.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.00 3cvh s TYR 94 CO -0.07 0.21 1.28 -0.46 -1.11 0.00 0.00 175.55 175.41 3cvh s TRP 95 N -1.69 2.60 -0.20 2.71 -0.00 -0.02 -4.89 118.94 117.45 3cvh s TRP 95 Ca 0.49 0.70 -0.18 0.00 -0.00 0.00 0.00 56.10 57.11 3cvh s TRP 95 Cb -0.15 -4.36 -0.03 0.00 -0.00 0.00 0.00 33.47 28.93 3cvh s TRP 95 CO 0.20 -1.64 0.49 0.34 -0.00 0.00 0.00 176.95 176.34 3cvh s ASP 96 N 3.22 6.54 -0.11 5.86 -1.08 -1.26 -4.79 116.67 125.05 3cvh s ASP 96 Ca 0.55 0.65 -0.18 0.00 -0.52 0.00 0.00 52.55 53.05 3cvh s ASP 96 Cb -0.11 -2.28 -0.26 0.00 -1.46 0.00 0.00 42.92 38.81 3cvh s ASP 96 CO 0.32 -0.15 0.55 0.08 0.52 0.00 0.00 175.17 176.49 3cvh h ARG 97 N 7.41 0.20 0.22 4.34 0.11 -1.94 -3.35 114.38 121.36 3cvh h ARG 97 Ca -0.34 -0.35 0.01 0.00 0.10 0.00 0.00 59.98 59.40 3cvh h ARG 97 Cb 1.16 0.13 -0.04 0.00 1.11 0.00 0.00 29.97 32.33 3cvh h ARG 97 CO 0.74 1.17 -0.38 -0.44 0.10 0.00 0.00 179.97 181.15 3cvh h ASP 98 N -0.43 -1.08 0.00 0.08 5.19 -2.02 -3.46 116.42 114.70 3cvh h ASP 98 Ca -0.28 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 3cvh h ASP 98 Cb 1.65 0.39 0.00 0.00 0.18 0.00 0.00 39.33 41.55 3cvh h ASP 98 CO 0.03 -0.48 0.00 0.80 -3.12 0.00 0.00 179.24 176.47