#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vcc s ARG 2 N 0.00 4.25 -0.36 0.03 3.52 -1.26 -4.85 118.95 120.28 1vcc s ARG 2 Ca 0.00 2.28 -0.22 0.00 -0.13 0.00 0.00 55.73 57.66 1vcc s ARG 2 Cb 0.00 -3.16 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1vcc s ARG 2 CO 0.00 -0.51 0.73 0.00 -0.81 0.00 0.00 175.30 174.71 1vcc s ALA 3 N 0.75 3.44 0.08 6.12 0.00 -1.26 -0.69 121.76 130.20 1vcc s ALA 3 Ca 0.65 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1vcc s ALA 3 Cb -0.42 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1vcc s ALA 3 CO 0.35 -1.43 0.12 -0.51 0.00 0.00 0.00 175.76 174.29 1vcc s LEU 4 N 2.96 3.95 -0.15 0.00 1.43 0.14 -4.90 118.68 122.11 1vcc s LEU 4 Ca 0.29 0.06 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1vcc s LEU 4 Cb -0.14 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1vcc s LEU 4 CO 0.16 0.17 0.12 -0.36 0.23 0.00 0.00 176.35 176.67 1vcc s PHE 5 N -1.44 3.48 -0.10 0.29 0.08 0.28 -0.62 117.98 119.94 1vcc s PHE 5 Ca 0.31 0.40 -0.01 0.00 0.12 0.00 0.00 56.93 57.75 1vcc s PHE 5 Cb -0.12 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1vcc s PHE 5 CO 0.24 0.52 -0.06 -0.47 -0.10 0.00 0.00 175.22 175.35 1vcc s TYR 6 N -0.43 2.97 -0.27 0.36 5.04 -1.02 -0.28 117.35 123.73 1vcc s TYR 6 Ca 0.11 -0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.55 1vcc s TYR 6 Cb -0.12 -1.81 0.14 0.00 0.35 0.00 0.00 41.96 40.52 1vcc s TYR 6 CO 0.01 0.17 0.55 0.21 -1.34 0.00 0.00 175.55 175.16 1vcc s LYS 7 N -0.32 0.49 -1.39 4.97 2.20 -0.69 -4.65 119.74 120.35 1vcc s LYS 7 Ca 0.05 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 56.78 1vcc s LYS 7 Cb -0.12 0.51 0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1vcc s LYS 7 CO 0.02 -0.37 0.63 -3.47 -0.36 0.00 0.00 175.35 171.80 1vcc n ASP 8 N 5.42 -1.31 0.00 1.43 2.03 -1.26 -1.62 116.55 121.24 1vcc n ASP 8 Ca -0.08 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.34 1vcc n ASP 8 Cb 0.50 -3.61 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 1vcc n ASP 8 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vcc n GLY 9 N -1.73 2.44 3.76 0.27 0.00 -1.26 -5.01 105.19 103.66 1vcc n GLY 9 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 1vcc n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vcc s LYS 10 N -0.11 2.70 0.07 1.61 -0.14 -0.64 -5.08 119.74 118.15 1vcc s LYS 10 Ca 0.00 -1.16 0.10 0.00 -1.36 0.00 0.00 55.97 53.55 1vcc s LYS 10 Cb 0.00 -2.44 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 1vcc s LYS 10 CO 0.00 0.40 -0.26 -0.51 -0.76 0.00 0.00 175.35 174.22 1vcc s LEU 11 N -3.69 2.23 0.05 3.17 1.43 -1.26 -1.70 118.68 118.91 1vcc s LEU 11 Ca 0.32 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1vcc s LEU 11 Cb -0.08 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1vcc s LEU 11 CO 0.23 0.24 -0.04 -0.36 0.23 0.00 0.00 176.35 176.65 1vcc s PHE 12 N -0.87 0.55 -0.70 0.29 0.40 0.62 -1.52 117.98 116.75 1vcc s PHE 12 Ca 0.12 -0.82 0.25 0.00 -0.60 0.00 0.00 56.93 55.88 1vcc s PHE 12 Cb -0.10 -0.37 0.52 0.00 0.51 0.00 0.00 43.02 43.59 1vcc s PHE 12 CO 0.03 -0.24 1.48 0.25 0.70 0.00 0.00 175.22 177.44 1vcc n THR 13 N 0.65 0.39 -4.41 0.64 -2.24 -0.59 -0.56 114.28 108.16 1vcc n THR 13 Ca -0.17 -0.25 -0.26 0.00 -2.27 0.00 0.00 64.05 61.09 1vcc n THR 13 Cb 0.59 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 1vcc n THR 13 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1vcc s ASP 14 N -4.20 3.60 0.00 3.42 -4.77 -1.26 -4.76 116.67 108.70 1vcc s ASP 14 Ca 0.08 -0.86 0.17 0.00 -3.30 0.00 0.00 52.55 48.64 1vcc s ASP 14 Cb 0.13 -0.34 0.76 0.00 -1.09 0.00 0.00 42.92 42.39 1vcc s ASP 14 CO 0.68 0.10 1.54 -0.46 0.70 0.00 0.00 175.17 177.73 1vcc n ASN 15 N 0.02 0.00 -0.50 2.11 6.94 -1.26 -2.00 115.26 120.57 1vcc n ASN 15 Ca -0.11 0.40 0.12 0.00 -0.02 0.00 0.00 54.58 54.97 1vcc n ASN 15 Cb 0.57 -0.45 0.22 0.00 -2.36 0.00 0.00 39.78 37.75 1vcc n ASN 15 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1vcc n ASN 16 N -1.45 1.82 -2.69 0.53 3.02 -1.26 -4.98 115.26 110.25 1vcc n ASN 16 Ca 0.05 -1.41 -0.19 0.00 -0.03 0.00 0.00 54.58 53.00 1vcc n ASN 16 Cb 0.19 0.21 0.04 0.00 -0.61 0.00 0.00 39.78 39.61 1vcc n ASN 16 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1vcc n PHE 17 N 0.07 -1.85 0.29 3.10 3.72 -0.85 -4.92 117.46 117.03 1vcc n PHE 17 Ca 0.13 0.55 0.09 0.00 -0.05 0.00 0.00 57.45 58.17 1vcc n PHE 17 Cb 0.44 -4.05 -0.13 0.00 -0.94 0.00 0.00 39.48 34.80 1vcc n PHE 17 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1vcc n LEU 18 N -3.63 0.30 -3.93 4.37 4.77 -1.26 -4.80 117.00 112.82 1vcc n LEU 18 Ca -0.07 -0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.44 1vcc n LEU 18 Cb 0.59 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 1vcc n LEU 18 CO 0.43 0.08 -0.22 0.20 -1.33 0.00 0.00 177.39 176.55 1vcc s ASN 19 N -3.66 4.33 0.46 -1.43 0.01 -1.26 -5.09 114.94 108.29 1vcc s ASN 19 Ca -0.02 -2.78 -0.25 0.00 -0.71 0.00 0.00 52.86 49.10 1vcc s ASN 19 Cb 0.13 -1.56 -0.08 0.00 0.41 0.00 0.00 41.25 40.15 1vcc s ASN 19 CO 0.77 -0.27 1.44 -2.16 -1.51 0.00 0.00 177.10 175.37 1vcc s PRO 20 N 0.05 3.64 0.70 -0.60 0.04 -1.26 -1.54 135.00 136.02 1vcc s PRO 20 Ca 0.16 2.44 -0.11 0.00 0.04 0.00 0.00 61.00 63.53 1vcc s PRO 20 Cb -0.24 -2.64 0.01 0.00 0.04 0.00 0.00 34.50 31.67 1vcc s PRO 20 CO -0.02 -0.86 1.07 0.54 0.04 0.00 0.00 177.00 177.77 1vcc s VAL 21 N -1.20 3.85 0.47 -0.36 0.11 -0.57 -4.77 120.40 117.93 1vcc s VAL 21 Ca 0.62 0.60 -0.24 0.00 -2.93 0.00 0.00 61.98 60.03 1vcc s VAL 21 Cb -0.44 -3.48 -0.07 0.00 -1.53 0.00 0.00 36.38 30.86 1vcc s VAL 21 CO 0.57 -0.78 1.30 -0.55 -3.33 0.00 0.00 175.10 172.30 1vcc s SER 22 N -4.08 5.86 0.57 3.54 0.15 -1.26 -4.90 113.70 113.58 1vcc s SER 22 Ca 0.58 2.63 0.38 0.00 0.70 0.00 0.00 55.95 60.24 1vcc s SER 22 Cb -0.12 -2.63 2.04 0.00 -1.71 0.00 0.00 66.02 63.60 1vcc s SER 22 CO 0.54 -1.15 2.16 0.44 1.20 0.00 0.00 173.24 176.42 1vcc h ASP 23 N 2.05 0.00 -0.49 5.45 3.32 -1.98 -0.49 116.42 124.27 1vcc h ASP 23 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1vcc h ASP 23 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1vcc h ASP 23 CO 0.60 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 1vcc n ASP 24 N -2.85 3.52 -4.68 6.45 5.75 -1.26 -4.95 116.55 118.53 1vcc n ASP 24 Ca -0.02 -2.27 -0.44 0.00 -0.01 0.00 0.00 54.79 52.04 1vcc n ASP 24 Cb 0.07 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 1vcc n ASP 24 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1vcc n ASN 25 N 0.83 2.80 0.08 -1.12 5.15 -0.19 -4.86 115.26 117.95 1vcc n ASN 25 Ca 0.19 1.16 0.15 0.00 -0.60 0.00 0.00 54.58 55.48 1vcc n ASN 25 Cb 0.65 -1.45 0.66 0.00 -0.53 0.00 0.00 39.78 39.11 1vcc n ASN 25 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1vcc h PRO 26 N 3.86 0.03 0.00 1.20 0.13 -1.91 -2.31 132.00 133.00 1vcc h PRO 26 Ca -0.45 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1vcc h PRO 26 Cb 1.28 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1vcc h PRO 26 CO 0.73 0.02 -0.09 0.00 -0.23 0.00 0.00 178.00 178.43 1vcc h ALA 27 N 1.82 1.30 -0.14 -0.56 0.00 -1.81 -2.33 119.26 117.55 1vcc h ALA 27 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vcc h ALA 27 Cb 0.62 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1vcc h ALA 27 CO -0.01 0.12 0.09 1.88 0.00 0.00 0.00 179.25 181.33 1vcc h TYR 28 N 0.00 0.18 -0.46 0.00 0.05 -1.73 0.18 116.97 115.18 1vcc h TYR 28 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 1vcc h TYR 28 Cb 0.27 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1vcc h TYR 28 CO 0.00 0.11 -0.13 1.49 -1.05 0.00 0.00 178.16 178.58 1vcc h GLU 29 N 0.19 0.91 -0.50 4.88 4.81 -1.60 -1.87 114.58 121.39 1vcc h GLU 29 Ca 0.05 -0.36 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1vcc h GLU 29 Cb -0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1vcc h GLU 29 CO -0.01 1.01 0.31 0.28 -0.73 0.00 0.00 179.01 179.87 1vcc h VAL 30 N 0.75 1.08 0.00 0.32 2.07 -1.30 -2.46 116.25 116.71 1vcc h VAL 30 Ca 0.11 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1vcc h VAL 30 Cb 0.69 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1vcc h VAL 30 CO 0.05 0.11 -0.01 -0.07 0.02 0.00 0.00 177.57 177.67 1vcc h LEU 31 N 0.62 0.00 -0.65 2.57 3.38 -0.42 0.59 115.31 121.40 1vcc h LEU 31 Ca 0.20 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 1vcc h LEU 31 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1vcc h LEU 31 CO -0.07 0.01 -0.55 -0.61 0.09 0.00 0.00 178.44 177.30 1vcc h GLN 32 N 0.00 0.34 0.00 1.13 4.15 -0.85 -3.30 115.11 116.59 1vcc h GLN 32 Ca -0.00 -0.22 -0.22 0.00 0.77 0.00 0.00 58.65 58.98 1vcc h GLN 32 Cb 0.34 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.01 1vcc h GLN 32 CO 0.00 0.81 -1.82 0.72 -1.93 0.00 0.00 178.83 176.61 1vcc n HIS 33 N -3.92 0.57 -4.03 3.99 8.25 -0.69 -4.95 115.22 114.43 1vcc n HIS 33 Ca -0.02 0.19 -0.35 0.00 -0.26 0.00 0.00 57.72 57.28 1vcc n HIS 33 Cb 0.59 -1.00 -0.10 0.00 1.12 0.00 0.00 29.99 30.60 1vcc n HIS 33 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vcc s VAL 34 N -2.84 4.64 -0.00 1.59 1.01 0.12 -5.09 120.40 119.83 1vcc s VAL 34 Ca -0.06 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 1vcc s VAL 34 Cb 0.09 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1vcc s VAL 34 CO 0.83 0.45 0.53 -0.75 0.00 0.00 0.00 175.10 176.17 1vcc s LYS 35 N 0.48 4.22 -0.31 2.72 2.20 -1.26 -4.71 119.74 123.08 1vcc s LYS 35 Ca 0.02 0.63 -0.10 0.00 -0.36 0.00 0.00 55.97 56.16 1vcc s LYS 35 Cb -0.13 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 1vcc s LYS 35 CO 0.01 0.45 0.17 0.42 -0.36 0.00 0.00 175.35 176.05 1vcc s ILE 36 N -0.42 4.82 0.13 5.43 -1.09 -1.26 -5.05 121.20 123.75 1vcc s ILE 36 Ca 0.28 -0.32 -0.33 0.00 -2.23 0.00 0.00 60.65 58.06 1vcc s ILE 36 Cb -0.18 -3.44 -0.13 0.00 -1.58 0.00 0.00 42.46 37.14 1vcc s ILE 36 CO 0.16 0.07 1.70 -2.65 -1.23 0.00 0.00 174.94 172.99 1vcc n PRO 37 N 5.02 2.41 0.24 2.79 -0.02 -1.26 -4.86 135.00 139.33 1vcc n PRO 37 Ca -0.14 0.87 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 1vcc n PRO 37 Cb 0.50 -2.70 0.83 0.00 -0.02 0.00 0.00 33.50 32.11 1vcc n PRO 37 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1vcc h THR 38 N 4.12 0.00 0.00 3.45 1.35 -2.04 -2.26 112.91 117.53 1vcc h THR 38 Ca -0.45 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1vcc h THR 38 Cb 1.24 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1vcc h THR 38 CO 0.92 0.00 -0.32 0.00 -0.25 0.00 0.00 175.52 175.87 1vcc n HIS 39 N -2.71 0.28 -2.70 4.73 1.44 -1.26 -4.87 115.22 110.13 1vcc n HIS 39 Ca -0.01 0.08 -0.33 0.00 -2.01 0.00 0.00 57.72 55.45 1vcc n HIS 39 Cb 0.12 -0.53 -0.06 0.00 0.12 0.00 0.00 29.99 29.65 1vcc n HIS 39 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1vcc s LEU 40 N -3.54 3.86 0.35 2.39 1.43 -0.85 -4.46 118.68 117.85 1vcc s LEU 40 Ca 0.11 1.67 0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1vcc s LEU 40 Cb 0.16 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.78 1vcc s LEU 40 CO 0.64 -0.44 0.05 0.42 0.23 0.00 0.00 176.35 177.26 1vcc s THR 41 N -2.28 1.35 -1.46 5.49 -4.23 -0.35 -4.84 115.64 109.32 1vcc s THR 41 Ca 0.61 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.02 1vcc s THR 41 Cb -0.10 -2.82 0.06 0.00 1.34 0.00 0.00 72.50 70.99 1vcc s THR 41 CO 0.18 0.00 0.95 0.47 -0.54 0.00 0.00 174.62 175.68 1vcc n ASP 42 N -0.78 -4.20 -4.70 3.99 8.00 -1.26 -0.55 116.55 117.05 1vcc n ASP 42 Ca -0.03 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.29 1vcc n ASP 42 Cb 0.67 -4.07 -0.03 0.00 -0.02 0.00 0.00 41.12 37.67 1vcc n ASP 42 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vcc s VAL 43 N -3.38 4.23 -0.12 2.53 1.01 -1.26 -4.38 120.40 119.03 1vcc s VAL 43 Ca 0.51 1.58 0.02 0.00 0.00 0.00 0.00 61.98 64.09 1vcc s VAL 43 Cb -0.25 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 1vcc s VAL 43 CO 0.81 0.06 -0.19 -0.69 0.00 0.00 0.00 175.10 175.10 1vcc s VAL 44 N 1.62 2.51 -0.10 2.92 1.01 0.12 -2.43 120.40 126.05 1vcc s VAL 44 Ca 0.57 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1vcc s VAL 44 Cb -0.26 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1vcc s VAL 44 CO 0.25 0.54 -0.21 -0.69 0.00 0.00 0.00 175.10 175.00 1vcc s VAL 45 N 0.43 1.84 0.16 2.92 1.01 0.20 -1.12 120.40 125.83 1vcc s VAL 45 Ca -0.14 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1vcc s VAL 45 Cb -0.17 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 1vcc s VAL 45 CO 0.06 0.51 1.01 -0.31 0.00 0.00 0.00 175.10 176.37 1vcc s TYR 46 N 0.48 3.75 -0.55 5.22 2.02 -0.79 -0.68 117.35 126.80 1vcc s TYR 46 Ca -0.16 1.74 -0.27 0.00 -0.37 0.00 0.00 57.07 58.00 1vcc s TYR 46 Cb -0.17 -3.13 -0.00 0.00 -0.40 0.00 0.00 41.96 38.26 1vcc s TYR 46 CO 0.06 -0.07 1.61 -2.00 -1.57 0.00 0.00 175.55 173.58 1vcc s GLU 47 N -0.31 3.09 0.18 -0.62 2.12 0.13 -4.75 118.70 118.54 1vcc s GLU 47 Ca 0.47 0.62 -0.24 0.00 0.36 0.00 0.00 54.97 56.19 1vcc s GLU 47 Cb -0.26 -4.22 0.05 0.00 0.26 0.00 0.00 34.13 29.96 1vcc s GLU 47 CO 0.32 -2.18 0.81 1.14 -0.54 0.00 0.00 175.26 174.80 1vcc s GLN 48 N 6.02 1.38 0.64 4.30 -2.07 -1.26 -4.47 119.66 124.20 1vcc s GLN 48 Ca 0.60 -0.70 -0.09 0.00 -1.82 0.00 0.00 55.36 53.35 1vcc s GLN 48 Cb -0.13 0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 32.29 1vcc s GLN 48 CO 0.25 -0.62 1.01 0.95 -1.32 0.00 0.00 175.29 175.55 1vcc s THR 49 N -3.57 3.88 0.27 3.63 -4.23 -1.26 -2.79 115.64 111.57 1vcc s THR 49 Ca 0.09 0.41 -0.03 0.00 -1.18 0.00 0.00 61.69 60.98 1vcc s THR 49 Cb -0.03 -3.58 0.27 0.00 1.34 0.00 0.00 72.50 70.50 1vcc s THR 49 CO 0.00 -0.70 1.91 -0.25 -0.54 0.00 0.00 174.62 175.03 1vcc h TRP 50 N -0.40 1.19 -0.35 3.99 -0.00 -1.88 0.33 115.95 118.84 1vcc h TRP 50 Ca -0.45 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 58.49 1vcc h TRP 50 Cb 1.24 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.16 29.98 1vcc h TRP 50 CO 0.53 0.67 0.19 1.49 -0.00 0.00 0.00 178.44 181.32 1vcc h GLU 51 N 1.21 0.38 -0.63 2.65 4.81 -1.97 -2.11 114.58 118.91 1vcc h GLU 51 Ca 0.40 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1vcc h GLU 51 Cb 0.06 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1vcc h GLU 51 CO -0.14 0.25 0.14 0.93 -0.73 0.00 0.00 179.01 179.46 1vcc h GLU 52 N 0.39 1.00 -0.20 1.92 5.08 -1.74 -2.97 114.58 118.05 1vcc h GLU 52 Ca 0.14 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1vcc h GLU 52 Cb 0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1vcc h GLU 52 CO -0.08 0.89 -0.03 0.00 -1.00 0.00 0.00 179.01 178.79 1vcc h ALA 53 N 1.20 1.58 -1.18 3.43 0.00 -0.33 -3.19 119.26 120.77 1vcc h ALA 53 Ca 0.20 -0.15 0.34 0.00 0.00 0.00 0.00 54.91 55.29 1vcc h ALA 53 Cb 0.35 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1vcc h ALA 53 CO 0.00 0.31 0.80 -0.07 0.00 0.00 0.00 179.25 180.29 1vcc h LEU 54 N 0.29 0.23 -3.03 0.00 3.38 -1.24 -1.00 115.31 113.94 1vcc h LEU 54 Ca 0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1vcc h LEU 54 Cb 0.26 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vcc h LEU 54 CO 0.01 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1vcc n THR 55 N -4.45 1.55 -4.43 0.22 -2.24 -1.20 -0.11 114.28 103.62 1vcc n THR 55 Ca 0.28 -1.61 -0.24 0.00 -2.27 0.00 0.00 64.05 60.22 1vcc n THR 55 Cb 1.15 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 1vcc n THR 55 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1vcc s ARG 56 N -2.00 1.90 0.09 -0.78 0.52 -0.38 -4.56 118.95 113.75 1vcc s ARG 56 Ca 0.23 -2.15 -0.31 0.00 -0.52 0.00 0.00 55.73 52.98 1vcc s ARG 56 Cb 0.18 -0.21 -0.07 0.00 0.52 0.00 0.00 34.95 35.37 1vcc s ARG 56 CO 0.05 -0.58 1.27 -1.17 0.02 0.00 0.00 175.30 174.90 1vcc s LEU 57 N -3.53 4.38 -0.26 2.53 2.96 -1.26 -0.35 118.68 123.14 1vcc s LEU 57 Ca 0.30 2.16 -0.13 0.00 -0.22 0.00 0.00 54.13 56.23 1vcc s LEU 57 Cb 0.02 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 1vcc s LEU 57 CO 0.20 -0.53 -0.34 -0.38 -1.32 0.00 0.00 176.35 173.98 1vcc n ILE 58 N 3.79 1.43 -3.78 6.68 5.41 0.18 -4.83 119.36 128.25 1vcc n ILE 58 Ca 0.09 -0.37 -0.10 0.00 1.00 0.00 0.00 62.75 63.38 1vcc n ILE 58 Cb 0.45 -1.85 -0.05 0.00 -0.71 0.00 0.00 39.64 37.48 1vcc n ILE 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1vcc s PHE 59 N -2.48 0.00 0.01 1.39 -0.71 -1.06 -1.89 117.98 113.25 1vcc s PHE 59 Ca -0.37 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.18 1vcc s PHE 59 Cb 0.14 0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 1vcc s PHE 59 CO 0.46 -0.82 -0.02 0.14 -1.34 0.00 0.00 175.22 173.64 1vcc s VAL 60 N -3.88 0.09 0.25 -2.49 -7.23 -0.28 -0.87 120.40 105.99 1vcc s VAL 60 Ca 0.10 -0.34 -0.08 0.00 -1.81 0.00 0.00 61.98 59.85 1vcc s VAL 60 Cb 0.01 -0.14 -0.01 0.00 0.56 0.00 0.00 36.38 36.80 1vcc s VAL 60 CO -0.04 -0.16 0.39 -0.83 -0.31 0.00 0.00 175.10 174.15 1vcc s GLY 61 N -0.51 0.94 -0.20 2.32 0.00 -0.57 -0.70 107.32 108.58 1vcc s GLY 61 Ca -0.05 -1.20 -0.06 0.00 0.00 0.00 0.00 44.72 43.41 1vcc s GLY 61 CO -0.00 -0.89 0.02 -0.56 0.00 0.00 0.00 173.10 171.67 1vcc s SER 62 N -3.09 5.03 1.15 1.64 0.01 0.29 -0.10 113.70 118.62 1vcc s SER 62 Ca 0.28 -0.15 -0.19 0.00 1.31 0.00 0.00 55.95 57.21 1vcc s SER 62 Cb 0.01 -1.87 0.27 0.00 0.21 0.00 0.00 66.02 64.64 1vcc s SER 62 CO 0.12 0.07 1.16 -0.90 0.41 0.00 0.00 173.24 174.10 1vcc n ASP 63 N 4.23 -1.20 0.07 2.44 5.68 0.12 -1.21 116.55 126.68 1vcc n ASP 63 Ca -0.17 -1.28 0.06 0.00 -0.50 0.00 0.00 54.79 52.90 1vcc n ASP 63 Cb 0.52 -0.99 0.31 0.00 -1.14 0.00 0.00 41.12 39.82 1vcc n ASP 63 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1vcc n SER 64 N -4.43 0.28 -1.14 -1.12 3.41 -1.26 -0.50 113.62 108.86 1vcc n SER 64 Ca 0.15 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.48 1vcc n SER 64 Cb 0.57 -0.65 0.27 0.00 -0.26 0.00 0.00 64.21 64.14 1vcc n SER 64 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vcc n LYS 65 N -1.85 2.46 -0.95 4.33 4.01 -1.26 -4.94 118.16 119.96 1vcc n LYS 65 Ca 0.00 -2.24 0.00 0.00 -0.51 0.00 0.00 58.31 55.57 1vcc n LYS 65 Cb 0.08 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 1vcc n LYS 65 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1vcc n GLY 66 N 1.50 0.48 3.75 0.72 0.00 0.35 -5.02 105.19 106.98 1vcc n GLY 66 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1vcc n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vcc s ARG 67 N -0.47 4.57 0.08 1.61 3.52 -1.26 -4.77 118.95 122.22 1vcc s ARG 67 Ca 0.00 1.17 -0.30 0.00 -0.13 0.00 0.00 55.73 56.47 1vcc s ARG 67 Cb 0.00 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1vcc s ARG 67 CO 0.00 0.37 1.06 1.03 -0.81 0.00 0.00 175.30 176.95 1vcc s ARG 68 N -0.43 4.56 -0.15 5.12 1.81 -1.26 -0.70 118.95 127.90 1vcc s ARG 68 Ca 0.39 1.58 0.02 0.00 -1.72 0.00 0.00 55.73 56.00 1vcc s ARG 68 Cb -0.22 -3.37 0.01 0.00 -0.45 0.00 0.00 34.95 30.92 1vcc s ARG 68 CO 0.25 -0.02 -0.21 -0.65 -0.68 0.00 0.00 175.30 173.99 1vcc s GLN 69 N 0.52 3.02 -0.04 3.54 -1.52 0.86 -4.96 119.66 121.09 1vcc s GLN 69 Ca 0.52 -0.84 -0.10 0.00 -1.95 0.00 0.00 55.36 52.99 1vcc s GLN 69 Cb -0.25 -2.48 -0.05 0.00 -0.22 0.00 0.00 33.01 30.01 1vcc s GLN 69 CO 0.30 -0.06 0.28 0.71 -0.25 0.00 0.00 175.29 176.27 1vcc s TYR 70 N 0.93 3.64 -0.10 0.91 1.51 -1.26 -1.52 117.35 121.46 1vcc s TYR 70 Ca -0.04 0.71 -0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1vcc s TYR 70 Cb -0.15 -2.08 0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1vcc s TYR 70 CO -0.05 0.66 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.94 1vcc s PHE 71 N -1.13 1.23 0.25 2.71 0.40 -0.05 -5.01 117.98 116.38 1vcc s PHE 71 Ca 0.22 -0.55 0.07 0.00 -0.60 0.00 0.00 56.93 56.07 1vcc s PHE 71 Cb -0.14 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1vcc s PHE 71 CO 0.11 -0.43 0.19 0.71 0.70 0.00 0.00 175.22 176.49 1vcc s TYR 72 N 1.67 3.09 0.83 0.36 1.51 -1.26 0.47 117.35 124.01 1vcc s TYR 72 Ca 0.03 -0.12 -0.10 0.00 -1.01 0.00 0.00 57.07 55.87 1vcc s TYR 72 Cb -0.13 -1.39 0.09 0.00 -0.11 0.00 0.00 41.96 40.42 1vcc s TYR 72 CO -0.06 0.53 1.11 0.20 -1.11 0.00 0.00 175.55 176.21 1vcc s GLY 73 N -3.83 1.68 0.48 0.71 0.00 0.53 -4.84 107.32 102.04 1vcc s GLY 73 Ca 0.33 0.36 0.19 0.00 0.00 0.00 0.00 44.72 45.61 1vcc s GLY 73 CO 0.25 0.74 1.98 0.50 0.00 0.00 0.00 173.10 176.56 1vcc h LYS 74 N -1.40 0.21 -0.71 2.90 1.57 -1.81 -0.65 116.57 116.68 1vcc h LYS 74 Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1vcc h LYS 74 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1vcc h LYS 74 CO 0.48 0.14 0.00 -1.33 -0.57 0.00 0.00 179.45 178.17 1vcc n MET 75 N -4.43 2.68 -1.84 3.15 2.81 0.84 -4.94 117.12 115.40 1vcc n MET 75 Ca 0.10 -2.61 -0.31 0.00 -1.81 0.00 0.00 57.70 53.07 1vcc n MET 75 Cb 0.51 -1.57 0.02 0.00 -0.71 0.00 0.00 33.22 31.47 1vcc n MET 75 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1vcc s HIS 76 N -1.06 3.45 -2.00 2.03 5.04 -0.25 -4.64 115.29 117.86 1vcc s HIS 76 Ca 0.48 1.35 0.03 0.00 -1.54 0.00 0.00 55.06 55.38 1vcc s HIS 76 Cb 0.25 -2.78 0.16 0.00 0.04 0.00 0.00 32.58 30.25 1vcc s HIS 76 CO 0.33 -0.83 0.64 0.28 -2.34 0.00 0.00 174.74 172.83