#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lyb s PRO 2 N 0.00 4.13 -0.34 1.61 0.02 -1.26 -5.14 135.00 134.02 1lyb s PRO 2 Ca 0.00 0.74 -0.04 0.00 0.02 0.00 0.00 61.00 61.72 1lyb s PRO 2 Cb 0.00 -2.75 0.06 0.00 0.02 0.00 0.00 34.50 31.83 1lyb s PRO 2 CO 0.00 0.33 0.10 0.42 -0.33 0.00 0.00 177.00 177.52 1lyb s ILE 3 N -1.66 3.46 0.36 2.83 -1.09 -1.26 -5.08 121.20 118.77 1lyb s ILE 3 Ca 0.46 -1.39 -0.27 0.00 -2.23 0.00 0.00 60.65 57.22 1lyb s ILE 3 Cb -0.14 -3.05 -0.09 0.00 -1.58 0.00 0.00 42.46 37.59 1lyb s ILE 3 CO 0.20 -0.26 1.16 -2.16 -1.23 0.00 0.00 174.94 172.65 1lyb s PRO 4 N 1.31 4.25 -0.10 2.79 0.04 -1.26 -5.04 135.00 136.99 1lyb s PRO 4 Ca -0.01 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 1lyb s PRO 4 Cb -0.20 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.52 1lyb s PRO 4 CO 0.00 -0.16 -0.02 -2.00 0.04 0.00 0.00 177.00 174.87 1lyb s GLU 5 N -2.04 0.89 -0.08 4.56 2.56 -1.26 -4.86 118.70 118.47 1lyb s GLU 5 Ca 0.53 -0.07 -0.30 0.00 0.00 0.00 0.00 54.97 55.13 1lyb s GLU 5 Cb -0.32 -1.30 -0.02 0.00 2.00 0.00 0.00 34.13 34.49 1lyb s GLU 5 CO 0.40 -0.34 1.04 0.08 -0.56 0.00 0.00 175.26 175.89 1lyb s VAL 6 N 1.88 4.69 0.23 3.70 1.01 -1.26 -5.05 120.40 125.60 1lyb s VAL 6 Ca 0.04 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.02 1lyb s VAL 6 Cb -0.13 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1lyb s VAL 6 CO -0.06 0.03 0.36 -0.76 0.00 0.00 0.00 175.10 174.66 1lyb s LEU 7 N 1.88 4.31 0.07 3.92 1.43 -1.26 -4.51 118.68 124.52 1lyb s LEU 7 Ca 0.50 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1lyb s LEU 7 Cb -0.20 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1lyb s LEU 7 CO 0.20 -0.06 0.03 -0.54 0.23 0.00 0.00 176.35 176.22 1lyb s LYS 8 N -3.88 2.73 -0.19 1.70 1.02 0.53 -4.89 119.74 116.75 1lyb s LYS 8 Ca 0.34 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.54 1lyb s LYS 8 Cb -0.09 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1lyb s LYS 8 CO 0.29 0.56 -0.00 1.21 -0.92 0.00 0.00 175.35 176.49 1lyb s ASN 9 N -2.24 4.85 -0.29 2.83 3.84 -1.26 -1.86 114.94 120.82 1lyb s ASN 9 Ca 0.26 -0.18 0.03 0.00 0.21 0.00 0.00 52.86 53.19 1lyb s ASN 9 Cb -0.12 -1.82 0.08 0.00 -0.55 0.00 0.00 41.25 38.83 1lyb s ASN 9 CO 0.19 0.08 -0.05 -0.47 -2.79 0.00 0.00 177.10 174.06 1lyb s TYR 10 N 0.89 3.46 -2.00 0.43 5.04 0.92 -4.83 117.35 121.25 1lyb s TYR 10 Ca 0.01 -2.59 0.00 0.00 -2.44 0.00 0.00 57.07 52.05 1lyb s TYR 10 Cb -0.14 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 39.86 1lyb s TYR 10 CO 0.02 -0.91 0.00 -1.33 -1.34 0.00 0.00 175.55 171.99 1lyb n MET 11 N 4.36 -1.45 -1.83 4.97 2.81 -1.26 -0.94 117.12 123.79 1lyb n MET 11 Ca -0.07 1.11 -0.15 0.00 -1.81 0.00 0.00 57.70 56.78 1lyb n MET 11 Cb 0.42 -5.49 -0.04 0.00 -0.71 0.00 0.00 33.22 27.40 1lyb n MET 11 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1lyb n ASP 12 N -1.23 -4.27 -0.06 7.83 8.00 -1.26 -4.79 116.55 120.77 1lyb n ASP 12 Ca -0.19 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.46 1lyb n ASP 12 Cb 0.63 -3.78 -0.04 0.00 -0.02 0.00 0.00 41.12 37.91 1lyb n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lyb n ALA 13 N -0.37 2.24 -3.79 2.24 0.00 -0.15 -5.02 120.51 115.66 1lyb n ALA 13 Ca -0.17 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.48 1lyb n ALA 13 Cb 0.56 0.34 -0.16 0.00 0.00 0.00 0.00 19.45 20.19 1lyb n ALA 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1lyb s GLN 14 N -2.22 3.08 -0.16 0.00 -0.21 -0.11 -5.00 119.66 115.04 1lyb s GLN 14 Ca -0.16 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.41 1lyb s GLN 14 Cb 0.06 -2.58 -0.00 0.00 1.00 0.00 0.00 33.01 31.49 1lyb s GLN 14 CO 0.21 -0.10 -0.14 0.71 -2.12 0.00 0.00 175.29 173.84 1lyb s TYR 15 N 1.06 2.81 -0.02 0.91 1.51 -1.26 -0.06 117.35 122.30 1lyb s TYR 15 Ca -0.01 -1.08 -0.08 0.00 -1.01 0.00 0.00 57.07 54.89 1lyb s TYR 15 Cb -0.14 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1lyb s TYR 15 CO -0.06 -0.51 0.18 1.52 -1.11 0.00 0.00 175.55 175.57 1lyb s TYR 16 N 0.93 -0.06 0.46 2.71 1.13 -0.78 -4.47 117.35 117.28 1lyb s TYR 16 Ca -0.03 0.12 0.03 0.00 -1.41 0.00 0.00 57.07 55.77 1lyb s TYR 16 Cb -0.15 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.70 1lyb s TYR 16 CO -0.02 -0.25 0.05 0.20 -2.51 0.00 0.00 175.55 173.03 1lyb s GLY 17 N -0.95 2.82 -0.14 5.49 0.00 -0.27 -0.35 107.32 113.92 1lyb s GLY 17 Ca -0.10 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.71 1lyb s GLY 17 CO 0.02 -2.04 0.06 1.85 0.00 0.00 0.00 173.10 172.99 1lyb s GLU 18 N -3.80 3.54 0.26 2.90 2.12 -1.26 -0.03 118.70 122.43 1lyb s GLU 18 Ca 0.15 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.20 1lyb s GLU 18 Cb 0.03 -3.08 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 1lyb s GLU 18 CO 0.09 0.53 0.04 0.96 -0.54 0.00 0.00 175.26 176.33 1lyb s ILE 19 N -0.35 0.94 -0.02 -3.70 -4.36 0.66 -3.83 121.20 110.53 1lyb s ILE 19 Ca 0.09 -2.02 0.06 0.00 -0.26 0.00 0.00 60.65 58.52 1lyb s ILE 19 Cb -0.12 -2.52 -0.01 0.00 1.25 0.00 0.00 42.46 41.06 1lyb s ILE 19 CO 0.02 -0.17 -0.19 -0.83 0.24 0.00 0.00 174.94 174.01 1lyb s GLY 20 N -3.35 0.94 -0.13 6.27 0.00 0.45 -0.36 107.32 111.14 1lyb s GLY 20 Ca 0.33 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.25 1lyb s GLY 20 CO 0.11 -0.62 -0.15 -0.42 0.00 0.00 0.00 173.10 172.03 1lyb s ILE 21 N -0.34 1.55 0.00 0.90 1.01 0.28 -0.35 121.20 124.24 1lyb s ILE 21 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1lyb s ILE 21 Cb -0.08 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1lyb s ILE 21 CO -0.00 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1lyb n GLY 22 N 4.57 3.21 2.96 6.18 0.00 -0.56 -0.65 105.19 120.90 1lyb n GLY 22 Ca -0.18 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 1lyb n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lyb s THR 23 N -2.62 1.47 0.60 2.61 2.01 -1.26 -2.19 115.64 116.26 1lyb s THR 23 Ca 0.00 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 60.95 1lyb s THR 23 Cb 0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1lyb s THR 23 CO 0.00 0.18 1.23 -2.16 -0.69 0.00 0.00 174.62 173.18 1lyb s PRO 24 N 1.48 2.90 0.37 4.92 0.04 -1.26 0.01 135.00 143.46 1lyb s PRO 24 Ca -0.00 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 62.66 1lyb s PRO 24 Cb -0.16 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 1lyb s PRO 24 CO -0.08 -1.28 1.21 -2.14 0.04 0.00 0.00 177.00 174.75 1lyb s PRO 25 N -3.32 4.16 -0.17 0.56 0.02 -0.93 -4.83 135.00 130.49 1lyb s PRO 25 Ca 0.78 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.70 1lyb s PRO 25 Cb -0.32 -2.82 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 1lyb s PRO 25 CO 0.35 -0.26 0.02 -0.65 -0.33 0.00 0.00 177.00 176.12 1lyb s GLN 26 N -2.10 3.83 -0.25 5.54 -0.21 0.18 -4.82 119.66 121.83 1lyb s GLN 26 Ca 0.54 -0.42 -0.20 0.00 0.02 0.00 0.00 55.36 55.29 1lyb s GLN 26 Cb -0.34 -3.10 -0.02 0.00 1.00 0.00 0.00 33.01 30.56 1lyb s GLN 26 CO 0.43 0.23 0.63 0.00 -2.12 0.00 0.00 175.29 174.47 1lyb s PHE 28 N 2.50 2.53 -0.11 0.00 0.08 0.51 -4.95 117.98 118.53 1lyb s PHE 28 Ca 0.26 -0.30 -0.14 0.00 0.12 0.00 0.00 56.93 56.88 1lyb s PHE 28 Cb -0.15 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 1lyb s PHE 28 CO 0.08 0.07 0.32 0.95 -0.10 0.00 0.00 175.22 176.55 1lyb s THR 29 N -0.65 5.25 0.04 0.64 -4.23 -1.26 -0.25 115.64 115.18 1lyb s THR 29 Ca 0.10 0.61 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 1lyb s THR 29 Cb -0.10 -3.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.08 1lyb s THR 29 CO -0.00 0.46 0.06 0.68 -0.54 0.00 0.00 174.62 175.27 1lyb s VAL 30 N -0.09 0.15 0.01 2.29 -7.23 0.95 -4.90 120.40 111.59 1lyb s VAL 30 Ca 0.19 -1.21 -0.17 0.00 -1.81 0.00 0.00 61.98 58.98 1lyb s VAL 30 Cb -0.14 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 1lyb s VAL 30 CO 0.07 -0.67 0.47 0.68 -0.31 0.00 0.00 175.10 175.34 1lyb s VAL 31 N -2.75 4.95 -0.65 1.32 -7.23 -1.26 -1.11 120.40 113.66 1lyb s VAL 31 Ca -0.04 0.99 -0.20 0.00 -1.81 0.00 0.00 61.98 60.92 1lyb s VAL 31 Cb -0.00 -3.79 0.10 0.00 0.56 0.00 0.00 36.38 33.24 1lyb s VAL 31 CO -0.05 0.53 0.84 -0.36 -0.31 0.00 0.00 175.10 175.75 1lyb s PHE 32 N -0.83 2.91 -0.58 2.82 0.40 -1.26 -4.99 117.98 116.46 1lyb s PHE 32 Ca 0.26 -0.88 -0.20 0.00 -0.60 0.00 0.00 56.93 55.51 1lyb s PHE 32 Cb -0.17 -4.14 0.08 0.00 0.51 0.00 0.00 43.02 39.30 1lyb s PHE 32 CO 0.15 -1.43 0.74 0.34 0.70 0.00 0.00 175.22 175.71 1lyb s ASP 33 N 3.61 6.20 0.00 1.36 2.15 -1.26 -4.91 116.67 123.82 1lyb s ASP 33 Ca 0.17 -1.15 0.10 0.00 0.43 0.00 0.00 52.55 52.10 1lyb s ASP 33 Cb -0.19 -2.33 0.58 0.00 -0.30 0.00 0.00 42.92 40.68 1lyb s ASP 33 CO 0.06 -1.11 1.02 0.35 -0.17 0.00 0.00 175.17 175.31 1lyb n THR 34 N 5.67 0.00 0.17 1.71 -2.24 -1.26 -2.50 114.28 115.83 1lyb n THR 34 Ca -0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.81 1lyb n THR 34 Cb 0.44 -0.84 0.18 0.00 -2.10 0.00 0.00 70.33 68.02 1lyb n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1lyb n GLY 35 N -0.38 1.69 3.48 3.38 0.00 -1.26 -4.98 105.19 107.12 1lyb n GLY 35 Ca 0.07 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1lyb n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lyb s SER 36 N -1.26 0.66 -0.11 1.61 1.04 -1.04 -5.10 113.70 109.51 1lyb s SER 36 Ca 0.32 -1.37 0.14 0.00 0.48 0.00 0.00 55.95 55.52 1lyb s SER 36 Cb 0.19 0.62 0.26 0.00 0.10 0.00 0.00 66.02 67.19 1lyb s SER 36 CO 0.26 -1.23 1.13 -1.20 0.98 0.00 0.00 173.24 173.19 1lyb n SER 37 N -1.11 1.59 -4.27 7.02 7.64 -1.26 -4.90 113.62 118.33 1lyb n SER 37 Ca 0.01 -2.92 -0.22 0.00 1.01 0.00 0.00 58.87 56.75 1lyb n SER 37 Cb 0.62 -0.39 -0.12 0.00 -1.01 0.00 0.00 64.21 63.31 1lyb n SER 37 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1lyb s ASN 38 N -2.46 2.36 -0.12 6.43 -0.87 -1.26 -5.12 114.94 113.90 1lyb s ASN 38 Ca 0.26 -0.70 -0.02 0.00 -1.57 0.00 0.00 52.86 50.83 1lyb s ASN 38 Cb 0.25 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.25 41.33 1lyb s ASN 38 CO -0.01 0.01 -0.03 -0.22 -2.57 0.00 0.00 177.10 174.27 1lyb s LEU 39 N -2.00 3.31 0.04 0.60 2.96 -1.26 -5.04 118.68 117.28 1lyb s LEU 39 Ca 0.06 -0.04 -0.20 0.00 -0.22 0.00 0.00 54.13 53.73 1lyb s LEU 39 Cb -0.09 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.87 1lyb s LEU 39 CO 0.04 0.26 0.45 -1.66 -1.32 0.00 0.00 176.35 174.13 1lyb s TRP 40 N -0.19 -0.33 0.08 5.38 1.48 -1.26 -5.10 118.94 118.99 1lyb s TRP 40 Ca 0.04 0.36 -0.02 0.00 -1.06 0.00 0.00 56.10 55.42 1lyb s TRP 40 Cb -0.13 0.26 -0.04 0.00 -1.16 0.00 0.00 33.47 32.40 1lyb s TRP 40 CO 0.02 -0.58 0.01 0.14 -4.06 0.00 0.00 176.95 172.48 1lyb s VAL 41 N -2.32 0.18 0.58 -0.66 -7.23 -1.26 -5.11 120.40 104.59 1lyb s VAL 41 Ca -0.06 -1.80 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 1lyb s VAL 41 Cb -0.01 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 1lyb s VAL 41 CO -0.01 -0.82 1.27 -2.84 -0.31 0.00 0.00 175.10 172.38 1lyb s PRO 42 N -3.95 2.99 0.13 4.82 0.02 -1.25 -4.87 135.00 132.89 1lyb s PRO 42 Ca 0.12 2.00 -0.02 0.00 0.02 0.00 0.00 61.00 63.12 1lyb s PRO 42 Cb 0.08 -2.05 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1lyb s PRO 42 CO -0.07 -1.23 0.32 0.45 -0.33 0.00 0.00 177.00 176.14 1lyb s SER 43 N -1.34 6.42 0.03 2.53 0.15 -1.26 -0.60 113.70 119.62 1lyb s SER 43 Ca 0.76 0.42 0.10 0.00 0.70 0.00 0.00 55.95 57.92 1lyb s SER 43 Cb -0.35 -2.02 0.44 0.00 -1.71 0.00 0.00 66.02 62.38 1lyb s SER 43 CO 0.39 0.07 1.32 2.30 1.20 0.00 0.00 173.24 178.52 1lyb n ILE 44 N -0.04 1.35 -0.31 6.45 -5.35 -1.03 -2.01 119.36 118.42 1lyb n ILE 44 Ca -0.04 0.35 0.01 0.00 -0.27 0.00 0.00 62.75 62.80 1lyb n ILE 44 Cb 0.52 -1.21 0.24 0.00 -1.74 0.00 0.00 39.64 37.45 1lyb n ILE 44 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1lyb n HIS 45 N -1.57 1.51 -2.35 4.28 8.25 -1.26 -4.96 115.22 119.13 1lyb n HIS 45 Ca 0.02 -0.65 -0.35 0.00 -0.26 0.00 0.00 57.72 56.48 1lyb n HIS 45 Cb 0.11 -0.44 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 1lyb n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lyb s LYS 47 N -3.14 3.04 0.52 0.00 -0.14 -1.26 -4.90 119.74 113.86 1lyb s LYS 47 Ca 0.69 1.23 0.35 0.00 -1.36 0.00 0.00 55.97 56.87 1lyb s LYS 47 Cb -0.23 -1.99 1.76 0.00 -1.68 0.00 0.00 37.83 35.69 1lyb s LYS 47 CO 0.26 -1.04 2.05 1.25 -0.76 0.00 0.00 175.35 177.12 1lyb h LEU 48 N 0.07 0.00 -2.00 3.17 5.85 -2.01 -0.86 115.31 119.53 1lyb h LEU 48 Ca -0.46 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1lyb h LEU 48 Cb 1.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1lyb h LEU 48 CO 0.56 0.00 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.54 1lyb h LEU 49 N 0.00 0.00 -7.87 2.25 4.07 -2.03 -3.37 115.31 108.35 1lyb h LEU 49 Ca 0.00 0.00 -0.69 0.00 0.08 0.00 0.00 57.88 57.27 1lyb h LEU 49 Cb 0.14 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.75 1lyb h LEU 49 CO 0.00 0.05 1.51 -0.62 -1.08 0.00 0.00 178.44 178.30 1lyb s ASP 50 N -6.85 6.83 0.54 -0.43 2.15 -0.33 -4.74 116.67 113.84 1lyb s ASP 50 Ca -0.05 -2.40 0.23 0.00 0.43 0.00 0.00 52.55 50.76 1lyb s ASP 50 Cb 0.16 -2.48 1.41 0.00 -0.30 0.00 0.00 42.92 41.71 1lyb s ASP 50 CO 0.65 -1.05 2.06 0.40 -0.17 0.00 0.00 175.17 177.05 1lyb h ILE 51 N 5.50 0.76 -0.95 4.11 2.04 -1.85 -0.46 117.51 126.66 1lyb h ILE 51 Ca 0.30 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.23 1lyb h ILE 51 Cb 0.92 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 1lyb h ILE 51 CO 1.31 0.00 0.60 0.00 0.00 0.00 0.00 178.15 180.06 1lyb h ALA 52 N 1.81 1.32 -0.00 1.87 0.00 -1.95 -1.64 119.26 120.67 1lyb h ALA 52 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1lyb h ALA 52 Cb 0.64 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lyb h ALA 52 CO -0.00 0.37 -0.08 0.00 0.00 0.00 0.00 179.25 179.54 1lyb h TRP 54 N 0.21 0.00 0.00 0.00 4.06 -1.31 -3.26 115.95 115.65 1lyb h TRP 54 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1lyb h TRP 54 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1lyb h TRP 54 CO 0.00 0.10 -0.01 0.44 -3.56 0.00 0.00 178.44 175.41 1lyb n ILE 55 N -4.21 0.95 -4.53 1.49 -5.35 -1.07 -5.06 119.36 101.59 1lyb n ILE 55 Ca -0.03 -1.01 -0.23 0.00 -0.27 0.00 0.00 62.75 61.22 1lyb n ILE 55 Cb 0.18 0.47 -0.05 0.00 -1.74 0.00 0.00 39.64 38.50 1lyb n ILE 55 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1lyb n HIS 56 N -0.55 0.82 -3.20 4.28 8.25 -1.10 -5.11 115.22 118.62 1lyb n HIS 56 Ca 0.02 -1.77 -0.30 0.00 -0.26 0.00 0.00 57.72 55.41 1lyb n HIS 56 Cb 0.35 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 1lyb n HIS 56 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1lyb s HIS 57 N -2.29 3.46 -0.07 4.41 3.76 -1.26 -4.93 115.29 118.37 1lyb s HIS 57 Ca 0.00 0.84 0.04 0.00 -0.15 0.00 0.00 55.06 55.79 1lyb s HIS 57 Cb -0.00 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.43 1lyb s HIS 57 CO 0.00 0.11 -0.20 0.15 -0.85 0.00 0.00 174.74 173.95 1lyb s LYS 58 N -3.45 2.30 -0.09 1.40 1.02 -1.26 -3.89 119.74 115.76 1lyb s LYS 58 Ca 0.47 -0.70 -0.27 0.00 0.02 0.00 0.00 55.97 55.49 1lyb s LYS 58 Cb -0.11 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 1lyb s LYS 58 CO 0.28 0.20 0.90 -0.47 -0.92 0.00 0.00 175.35 175.34 1lyb s TYR 59 N 0.25 3.54 -0.60 3.18 5.04 0.23 -4.68 117.35 124.29 1lyb s TYR 59 Ca -0.11 1.47 -0.03 0.00 -2.44 0.00 0.00 57.07 55.96 1lyb s TYR 59 Cb -0.15 -3.06 0.16 0.00 0.35 0.00 0.00 41.96 39.26 1lyb s TYR 59 CO 0.05 -0.12 0.42 1.21 -1.34 0.00 0.00 175.55 175.77 1lyb s ASN 60 N 1.04 5.30 0.32 4.32 2.47 -1.26 -2.46 114.94 124.67 1lyb s ASN 60 Ca 0.45 -2.73 0.06 0.00 0.42 0.00 0.00 52.86 51.05 1lyb s ASN 60 Cb -0.18 -1.87 0.89 0.00 -1.45 0.00 0.00 41.25 38.64 1lyb s ASN 60 CO 0.19 -0.40 1.57 0.77 -3.72 0.00 0.00 177.10 175.51 1lyb h SER 61 N 7.20 -0.30 -0.00 -4.21 4.64 -1.96 -0.09 113.55 118.82 1lyb h SER 61 Ca -0.03 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1lyb h SER 61 Cb 0.97 0.44 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1lyb h SER 61 CO 0.72 -0.37 0.00 0.44 -0.87 0.00 0.00 176.83 176.75 1lyb h ASP 62 N 0.01 0.00 -0.61 4.97 3.32 -2.02 -1.29 116.42 120.81 1lyb h ASP 62 Ca 0.66 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.47 1lyb h ASP 62 Cb 1.46 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.86 1lyb h ASP 62 CO -0.89 0.00 0.30 0.29 -1.72 0.00 0.00 179.24 177.22 1lyb n LYS 63 N -3.41 2.58 -4.05 3.56 5.02 -0.05 -4.83 118.16 116.99 1lyb n LYS 63 Ca -0.03 -2.19 -0.26 0.00 -2.02 0.00 0.00 58.31 53.81 1lyb n LYS 63 Cb 0.08 -1.92 -0.17 0.00 -0.02 0.00 0.00 35.03 33.00 1lyb n LYS 63 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1lyb s SER 64 N -0.61 2.10 0.60 4.39 0.15 -0.49 -4.13 113.70 115.71 1lyb s SER 64 Ca 0.40 -0.30 0.37 0.00 0.70 0.00 0.00 55.95 57.11 1lyb s SER 64 Cb 0.33 -0.84 1.85 0.00 -1.71 0.00 0.00 66.02 65.65 1lyb s SER 64 CO 0.09 -0.09 2.18 0.28 1.20 0.00 0.00 173.24 176.90 1lyb h SER 65 N 7.92 0.00 -0.17 5.45 0.02 -0.73 -3.27 113.55 122.77 1lyb h SER 65 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1lyb h SER 65 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1lyb h SER 65 CO 0.43 0.03 0.00 0.35 -1.14 0.00 0.00 176.83 176.49 1lyb n THR 66 N -3.24 0.21 -1.95 -2.27 -2.24 -1.26 -5.00 114.28 98.53 1lyb n THR 66 Ca -0.02 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1lyb n THR 66 Cb 0.18 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1lyb n THR 66 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1lyb s TYR 67 N -1.70 2.95 -0.12 4.78 5.04 -1.24 -4.44 117.35 122.63 1lyb s TYR 67 Ca 0.31 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 55.55 1lyb s TYR 67 Cb 0.20 -3.92 0.01 0.00 0.35 0.00 0.00 41.96 38.60 1lyb s TYR 67 CO 0.29 -3.44 -0.19 0.08 -1.34 0.00 0.00 175.55 170.95 1lyb s VAL 68 N 1.43 1.83 0.92 3.14 1.01 -0.07 -5.00 120.40 123.66 1lyb s VAL 68 Ca 0.70 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1lyb s VAL 68 Cb -0.43 -1.63 0.14 0.00 0.00 0.00 0.00 36.38 34.47 1lyb s VAL 68 CO 0.31 0.51 1.09 -1.59 0.00 0.00 0.00 175.10 175.42 1lyb s LYS 69 N 0.84 1.07 0.02 2.72 -2.85 -1.26 -1.57 119.74 118.72 1lyb s LYS 69 Ca -0.08 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 1lyb s LYS 69 Cb -0.15 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.82 1lyb s LYS 69 CO -0.01 -2.34 0.00 -1.71 0.10 0.00 0.00 175.35 171.39 1lyb n ASN 70 N -3.93 -0.15 0.00 0.03 2.85 -1.25 -4.73 115.26 108.07 1lyb n ASN 70 Ca 0.06 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1lyb n ASN 70 Cb 0.56 0.43 0.00 0.00 1.24 0.00 0.00 39.78 42.01 1lyb n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1lyb n GLY 71 N -0.32 2.39 3.76 8.20 0.00 -0.16 -4.94 105.19 114.12 1lyb n GLY 71 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1lyb n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lyb s THR 72 N -2.08 2.66 0.05 2.61 2.01 -1.26 -4.47 115.64 115.17 1lyb s THR 72 Ca 0.00 0.52 -0.18 0.00 0.31 0.00 0.00 61.69 62.33 1lyb s THR 72 Cb 0.00 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 69.18 1lyb s THR 72 CO 0.00 0.01 0.53 -0.44 -0.69 0.00 0.00 174.62 174.03 1lyb s SER 73 N -1.09 6.99 0.42 3.53 0.01 -1.26 0.37 113.70 122.66 1lyb s SER 73 Ca 0.65 1.17 0.05 0.00 1.31 0.00 0.00 55.95 59.13 1lyb s SER 73 Cb -0.34 -2.33 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 1lyb s SER 73 CO 0.42 0.27 0.02 0.72 0.41 0.00 0.00 173.24 175.08 1lyb s PHE 74 N -1.01 2.27 -0.21 2.43 -0.71 -0.60 -4.92 117.98 115.23 1lyb s PHE 74 Ca 0.28 -0.80 -0.11 0.00 -1.04 0.00 0.00 56.93 55.26 1lyb s PHE 74 Cb -0.19 -1.65 0.07 0.00 -1.21 0.00 0.00 43.02 40.04 1lyb s PHE 74 CO 0.17 0.31 0.50 0.34 -1.34 0.00 0.00 175.22 175.21 1lyb s ASP 75 N -3.71 -0.64 0.01 1.98 2.15 -1.26 -2.98 116.67 112.22 1lyb s ASP 75 Ca 0.28 1.11 0.03 0.00 0.43 0.00 0.00 52.55 54.41 1lyb s ASP 75 Cb 0.08 1.08 -0.01 0.00 -0.30 0.00 0.00 42.92 43.76 1lyb s ASP 75 CO 0.14 -0.21 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.20 1lyb s ILE 76 N 1.66 0.78 -0.15 4.11 1.01 -0.78 -5.01 121.20 122.82 1lyb s ILE 76 Ca -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1lyb s ILE 76 Cb -0.08 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.71 1lyb s ILE 76 CO -0.15 0.06 -0.20 -1.00 0.00 0.00 0.00 174.94 173.65 1lyb s HIS 77 N -0.54 2.59 0.35 3.97 3.76 -1.26 -2.45 115.29 121.70 1lyb s HIS 77 Ca 0.01 -1.38 0.07 0.00 -0.15 0.00 0.00 55.06 53.61 1lyb s HIS 77 Cb -0.05 -1.78 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 1lyb s HIS 77 CO 0.00 -0.66 0.43 0.71 -0.85 0.00 0.00 174.74 174.38 1lyb s TYR 78 N 1.02 2.99 0.36 1.40 2.02 0.00 -5.00 117.35 120.14 1lyb s TYR 78 Ca -0.03 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1lyb s TYR 78 Cb -0.15 -2.01 0.70 0.00 -0.40 0.00 0.00 41.96 40.11 1lyb s TYR 78 CO -0.06 -0.03 1.97 0.78 -1.57 0.00 0.00 175.55 176.65 1lyb h GLY 79 N 0.95 0.95 -1.70 0.71 0.00 -2.00 -2.87 103.07 99.11 1lyb h GLY 79 Ca -0.44 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1lyb h GLY 79 CO 0.53 0.26 0.00 1.44 0.00 0.00 0.00 176.54 178.77 1lyb n SER 80 N -4.47 2.52 0.00 0.19 7.64 -1.26 -5.05 113.62 113.19 1lyb n SER 80 Ca 0.09 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1lyb n SER 80 Cb 0.17 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1lyb n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lyb n GLY 81 N 1.26 3.55 3.71 0.23 0.00 -1.09 -5.15 105.19 107.70 1lyb n GLY 81 Ca 0.16 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1lyb n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lyb s SER 82 N 0.00 4.22 0.19 1.61 0.01 -1.26 -0.82 113.70 117.65 1lyb s SER 82 Ca 0.00 -1.24 -0.23 0.00 1.31 0.00 0.00 55.95 55.79 1lyb s SER 82 Cb 0.00 -0.33 0.06 0.00 0.21 0.00 0.00 66.02 65.96 1lyb s SER 82 CO 0.00 -0.56 0.94 -1.48 0.41 0.00 0.00 173.24 172.55 1lyb s LEU 83 N -3.85 -0.13 0.12 2.44 2.34 -1.03 -5.00 118.68 113.58 1lyb s LEU 83 Ca 0.36 -0.54 -0.25 0.00 0.06 0.00 0.00 54.13 53.76 1lyb s LEU 83 Cb 0.06 2.26 0.07 0.00 -0.56 0.00 0.00 46.19 48.02 1lyb s LEU 83 CO 0.19 -1.03 0.75 -0.94 -1.06 0.00 0.00 176.35 174.27 1lyb s SER 84 N -3.04 -0.41 0.00 1.48 1.04 -1.26 -1.87 113.70 109.64 1lyb s SER 84 Ca 0.14 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1lyb s SER 84 Cb -0.02 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1lyb s SER 84 CO 0.04 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1lyb n GLY 85 N -0.36 -0.90 3.23 7.32 0.00 -1.16 -5.02 105.19 108.30 1lyb n GLY 85 Ca -0.11 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 1lyb n GLY 85 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1lyb s TYR 86 N -4.00 1.34 0.35 1.61 1.13 -1.26 -1.55 117.35 114.97 1lyb s TYR 86 Ca 0.00 -0.57 -0.08 0.00 -1.41 0.00 0.00 57.07 55.01 1lyb s TYR 86 Cb 0.00 -0.71 -0.06 0.00 -1.10 0.00 0.00 41.96 40.10 1lyb s TYR 86 CO 0.00 0.12 0.66 -0.51 -2.51 0.00 0.00 175.55 173.32 1lyb s LEU 87 N -2.45 3.94 0.28 -3.49 1.43 0.16 -4.88 118.68 113.66 1lyb s LEU 87 Ca 0.08 0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 54.01 1lyb s LEU 87 Cb -0.05 -3.77 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 1lyb s LEU 87 CO 0.03 -0.30 0.47 -0.44 0.23 0.00 0.00 176.35 176.33 1lyb s SER 88 N -3.18 0.20 0.00 2.29 0.01 -1.26 -0.99 113.70 110.76 1lyb s SER 88 Ca 0.48 -1.13 0.03 0.00 1.31 0.00 0.00 55.95 56.65 1lyb s SER 88 Cb -0.10 0.61 -0.01 0.00 0.21 0.00 0.00 66.02 66.72 1lyb s SER 88 CO 0.31 -1.19 -0.11 -1.58 0.41 0.00 0.00 173.24 171.08 1lyb s GLN 89 N -3.68 0.87 0.05 12.44 0.74 -0.61 -4.95 119.66 124.53 1lyb s GLN 89 Ca 0.25 -0.45 -0.07 0.00 0.05 0.00 0.00 55.36 55.14 1lyb s GLN 89 Cb -0.00 -0.84 0.03 0.00 1.10 0.00 0.00 33.01 33.29 1lyb s GLN 89 CO 0.12 0.23 0.35 -3.47 -0.55 0.00 0.00 175.29 171.97 1lyb n ASP 90 N 2.64 -0.55 -4.80 6.67 -0.08 -1.26 -0.89 116.55 118.28 1lyb n ASP 90 Ca -0.15 -1.27 -0.38 0.00 -1.51 0.00 0.00 54.79 51.49 1lyb n ASP 90 Cb 0.56 0.89 -0.06 0.00 2.34 0.00 0.00 41.12 44.85 1lyb n ASP 90 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1lyb s THR 91 N -2.36 5.11 -0.18 5.18 2.01 -1.26 -4.95 115.64 119.19 1lyb s THR 91 Ca 0.08 0.80 -0.04 0.00 0.31 0.00 0.00 61.69 62.85 1lyb s THR 91 Cb -0.01 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1lyb s THR 91 CO 0.02 0.50 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.71 1lyb s VAL 92 N -0.51 3.61 -0.18 3.82 1.01 -1.26 -1.49 120.40 125.41 1lyb s VAL 92 Ca 0.23 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1lyb s VAL 92 Cb -0.16 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1lyb s VAL 92 CO 0.11 0.46 -0.02 -0.94 0.00 0.00 0.00 175.10 174.71 1lyb s SER 93 N 0.88 4.77 -0.20 3.32 1.04 0.52 -4.96 113.70 119.07 1lyb s SER 93 Ca -0.01 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 1lyb s SER 93 Cb -0.15 -1.79 0.01 0.00 0.10 0.00 0.00 66.02 64.19 1lyb s SER 93 CO 0.01 0.12 -0.13 -0.69 0.98 0.00 0.00 173.24 173.53 1lyb s VAL 94 N 0.69 2.61 0.00 5.02 1.01 -1.26 -0.41 120.40 128.06 1lyb s VAL 94 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1lyb s VAL 94 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1lyb s VAL 94 CO 0.02 0.48 0.00 -0.81 0.00 0.00 0.00 175.10 174.79 1lyb n PRO 95 N 4.69 0.09 -2.10 2.72 -0.04 -1.26 -4.90 135.00 134.20 1lyb n PRO 95 Ca -0.20 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 1lyb n PRO 95 Cb 0.50 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.91 1lyb n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46