#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3p s ILE 6 N 0.00 1.75 -0.18 1.09 -4.36 0.78 -4.83 121.20 115.45 3a3p s ILE 6 Ca 0.00 -1.85 -0.09 0.00 -0.26 0.00 0.00 60.65 58.45 3a3p s ILE 6 Cb 0.00 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 3a3p s ILE 6 CO 0.00 -0.29 0.12 -0.60 0.24 0.00 0.00 174.94 174.41 3a3p s ARG 7 N -2.67 4.02 0.04 0.37 3.52 -1.26 -0.79 118.95 122.18 3a3p s ARG 7 Ca 0.14 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 3a3p s ARG 7 Cb -0.06 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3a3p s ARG 7 CO 0.06 0.38 -0.04 0.54 -0.81 0.00 0.00 175.30 175.43 3a3p s VAL 8 N 0.11 0.24 -0.16 7.11 0.11 -0.26 -3.29 120.40 124.25 3a3p s VAL 8 Ca 0.09 -1.26 0.01 0.00 -2.93 0.00 0.00 61.98 57.88 3a3p s VAL 8 Cb -0.11 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 3a3p s VAL 8 CO -0.01 -0.65 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.31 3a3p s ILE 9 N -2.30 2.44 -0.23 7.04 1.09 0.74 -1.07 121.20 128.92 3a3p s ILE 9 Ca -0.07 -0.83 -0.06 0.00 -1.10 0.00 0.00 60.65 58.59 3a3p s ILE 9 Cb -0.04 -2.03 -0.03 0.00 -1.06 0.00 0.00 42.46 39.31 3a3p s ILE 9 CO -0.04 0.52 0.04 -0.69 -0.10 0.00 0.00 174.94 174.67 3a3p s VAL 10 N 1.01 4.12 -0.14 2.92 1.01 -0.38 -0.63 120.40 128.31 3a3p s VAL 10 Ca -0.02 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 3a3p s VAL 10 Cb -0.15 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3a3p s VAL 10 CO -0.04 0.38 0.65 -0.44 0.00 0.00 0.00 175.10 175.65 3a3p s SER 11 N 1.38 6.82 0.19 3.32 0.01 0.02 -1.54 113.70 123.89 3a3p s SER 11 Ca 0.05 0.99 0.11 0.00 1.31 0.00 0.00 55.95 58.40 3a3p s SER 11 Cb -0.15 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3a3p s SER 11 CO 0.02 -0.19 -0.23 0.68 0.41 0.00 0.00 173.24 173.94 3a3p s VAL 12 N 1.34 2.25 -0.44 3.43 -7.23 -0.54 -0.37 120.40 118.84 3a3p s VAL 12 Ca 0.32 -2.02 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 3a3p s VAL 12 Cb -0.16 -2.07 0.03 0.00 0.56 0.00 0.00 36.38 34.73 3a3p s VAL 12 CO 0.13 -0.16 0.54 -0.62 -0.31 0.00 0.00 175.10 174.68 3a3p s ASP 13 N -2.69 6.24 0.46 4.85 2.15 0.37 -4.80 116.67 123.25 3a3p s ASP 13 Ca 0.20 -0.62 0.31 0.00 0.43 0.00 0.00 52.55 52.87 3a3p s ASP 13 Cb -0.07 -2.27 1.65 0.00 -0.30 0.00 0.00 42.92 41.93 3a3p s ASP 13 CO 0.09 -0.71 1.95 0.11 -0.17 0.00 0.00 175.17 176.44 3a3p h LYS 14 N 8.83 0.00 0.00 4.34 6.56 -1.87 0.08 116.57 134.51 3a3p h LYS 14 Ca -0.26 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.27 3a3p h LYS 14 Cb 1.10 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.75 3a3p h LYS 14 CO 0.86 0.00 -0.28 0.00 -2.06 0.00 0.00 179.45 177.97 3a3p h ALA 15 N 2.02 0.84 0.00 3.86 0.00 -1.96 -3.36 119.26 120.66 3a3p h ALA 15 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3a3p h ALA 15 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a3p h ALA 15 CO 0.00 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.23 3a3p n LYS 16 N -3.20 0.49 -4.88 0.00 5.02 -0.14 -5.06 118.16 110.39 3a3p n LYS 16 Ca 0.02 -0.64 -0.32 0.00 -2.02 0.00 0.00 58.31 55.35 3a3p n LYS 16 Cb 0.61 -0.77 -0.13 0.00 -0.02 0.00 0.00 35.03 34.72 3a3p n LYS 16 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3a3p s PHE 17 N -0.26 2.62 -0.06 2.13 5.36 -0.30 -2.83 117.98 124.64 3a3p s PHE 17 Ca 0.00 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.76 3a3p s PHE 17 Cb 0.00 -1.57 0.02 0.00 -0.34 0.00 0.00 43.02 41.13 3a3p s PHE 17 CO 0.00 0.18 -0.07 1.21 -1.46 0.00 0.00 175.22 175.08 3a3p s ASN 18 N -0.91 1.39 0.57 6.13 3.84 -1.26 -4.82 114.94 119.88 3a3p s ASN 18 Ca 0.12 -0.20 0.29 0.00 0.21 0.00 0.00 52.86 53.29 3a3p s ASN 18 Cb -0.10 -0.61 1.46 0.00 -0.55 0.00 0.00 41.25 41.44 3a3p s ASN 18 CO 0.02 -0.04 1.89 1.55 -2.79 0.00 0.00 177.10 177.73 3a3p h PRO 19 N 7.28 0.00 0.00 0.43 0.13 -2.00 0.81 132.00 138.65 3a3p h PRO 19 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3a3p h PRO 19 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3a3p h PRO 19 CO 0.45 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.94 3a3p n HIS 20 N -3.95 0.17 -0.33 1.56 8.25 -1.26 -2.87 115.22 116.79 3a3p n HIS 20 Ca 0.12 0.07 -0.03 0.00 -0.26 0.00 0.00 57.72 57.62 3a3p n HIS 20 Cb 0.78 -0.61 0.09 0.00 1.12 0.00 0.00 29.99 31.37 3a3p n HIS 20 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3a3p h GLU 21 N 0.00 1.19 0.00 -0.41 5.08 -1.26 -3.29 114.58 115.89 3a3p h GLU 21 Ca 0.00 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3a3p h GLU 21 Cb 0.27 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3a3p h GLU 21 CO 0.00 0.80 -0.27 -0.39 -1.00 0.00 0.00 179.01 178.15 3a3p h VAL 22 N 1.22 1.00 -0.88 3.13 -1.51 -1.72 -0.81 116.25 116.68 3a3p h VAL 22 Ca 0.33 -1.00 0.12 0.00 -1.23 0.00 0.00 66.70 64.91 3a3p h VAL 22 Cb -0.12 1.57 -0.07 0.00 -2.13 0.00 0.00 31.29 30.55 3a3p h VAL 22 CO -0.07 0.27 0.57 0.25 -1.23 0.00 0.00 177.57 177.36 3a3p h LEU 23 N 0.00 0.72 -1.68 4.19 6.46 -1.61 -1.28 115.31 122.10 3a3p h LEU 23 Ca -0.00 0.03 0.23 0.00 -0.12 0.00 0.00 57.88 58.01 3a3p h LEU 23 Cb 0.55 -0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 3a3p h LEU 23 CO 0.04 0.40 0.61 1.23 -0.62 0.00 0.00 178.44 180.09 3a3p h GLY 24 N 0.78 0.57 -2.48 3.75 0.00 -1.33 0.84 103.07 105.19 3a3p h GLY 24 Ca 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3a3p h GLY 24 CO -0.19 -0.01 0.00 0.29 0.00 0.00 0.00 176.54 176.63 3a3p n ILE 25 N -4.43 2.47 -0.94 2.60 -5.35 -0.96 -4.94 119.36 107.80 3a3p n ILE 25 Ca 0.19 -1.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 3a3p n ILE 25 Cb 0.80 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 3a3p n ILE 25 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a3p n GLY 26 N 0.04 0.45 3.92 3.28 0.00 0.29 -4.70 105.19 108.47 3a3p n GLY 26 Ca 0.24 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 3a3p n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a3p s GLY 27 N -2.71 2.16 0.03 -0.02 0.00 -0.52 -4.37 107.32 101.88 3a3p s GLY 27 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 44.72 42.97 3a3p s GLY 27 CO 0.00 -1.80 0.15 -2.38 0.00 0.00 0.00 173.10 169.08 3a3p s HIS 28 N -2.64 0.09 -0.02 1.90 -3.43 0.32 -3.18 115.29 108.34 3a3p s HIS 28 Ca 0.45 -0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.11 3a3p s HIS 28 Cb -0.03 -0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 31.01 3a3p s HIS 28 CO 0.27 -0.38 1.15 0.42 -2.00 0.00 0.00 174.74 174.21 3a3p s ILE 29 N -2.29 4.32 -0.23 -5.38 -1.09 -1.26 -1.07 121.20 114.21 3a3p s ILE 29 Ca -0.07 1.65 -0.17 0.00 -2.23 0.00 0.00 60.65 59.83 3a3p s ILE 29 Cb -0.03 -4.06 -0.13 0.00 -1.58 0.00 0.00 42.46 36.66 3a3p s ILE 29 CO -0.03 0.06 -0.11 0.52 -1.23 0.00 0.00 174.94 174.15 3a3p n VAL 30 N 4.30 1.52 -3.68 2.92 0.31 0.18 -4.92 118.33 118.96 3a3p n VAL 30 Ca 0.09 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.21 3a3p n VAL 30 Cb 0.47 -2.05 -0.10 0.00 -0.91 0.00 0.00 33.84 31.25 3a3p n VAL 30 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3a3p s TYR 31 N -2.46 -0.69 -0.25 3.52 5.04 -0.93 -4.97 117.35 116.61 3a3p s TYR 31 Ca -0.31 1.41 -0.15 0.00 -2.44 0.00 0.00 57.07 55.58 3a3p s TYR 31 Cb 0.09 0.30 -0.04 0.00 0.35 0.00 0.00 41.96 42.66 3a3p s TYR 31 CO 0.49 -0.39 0.36 -0.65 -1.34 0.00 0.00 175.55 174.02 3a3p s GLN 32 N 1.75 4.05 0.20 4.97 -0.21 -1.26 0.33 119.66 129.49 3a3p s GLN 32 Ca -0.07 0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 3a3p s GLN 32 Cb -0.09 -3.62 -0.08 0.00 1.00 0.00 0.00 33.01 30.21 3a3p s GLN 32 CO -0.13 -0.21 1.20 -0.06 -2.12 0.00 0.00 175.29 173.97 3a3p s PHE 33 N 1.85 3.41 0.15 0.91 0.40 -0.76 -4.94 117.98 119.00 3a3p s PHE 33 Ca 0.15 1.43 -0.00 0.00 -0.60 0.00 0.00 56.93 57.91 3a3p s PHE 33 Cb -0.15 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 3a3p s PHE 33 CO 0.09 -1.22 1.35 0.87 0.70 0.00 0.00 175.22 177.01 3a3p h LYS 34 N 5.04 0.28 0.00 0.44 1.57 -1.97 -3.40 116.57 118.52 3a3p h LYS 34 Ca -0.45 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.03 3a3p h LYS 34 Cb 1.21 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3a3p h LYS 34 CO 0.74 1.01 -1.52 1.28 -0.57 0.00 0.00 179.45 180.39 3a3p n LEU 35 N -3.69 0.22 -4.17 2.94 4.77 -1.26 -4.94 117.00 110.87 3a3p n LEU 35 Ca -0.05 -0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 55.64 3a3p n LEU 35 Cb 0.82 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.80 3a3p n LEU 35 CO 0.49 0.06 -0.42 0.27 -1.33 0.00 0.00 177.39 176.45 3a3p s ILE 36 N -3.04 0.96 -1.29 -0.08 -4.36 -1.26 -5.07 121.20 107.06 3a3p s ILE 36 Ca -0.03 -1.57 -0.18 0.00 -0.26 0.00 0.00 60.65 58.62 3a3p s ILE 36 Cb 0.12 -1.28 0.03 0.00 1.25 0.00 0.00 42.46 42.58 3a3p s ILE 36 CO 0.72 -0.50 1.87 -0.81 0.24 0.00 0.00 174.94 176.46 3a3p n PRO 37 N 0.71 2.86 -3.68 0.37 -0.04 -1.26 -4.54 135.00 129.41 3a3p n PRO 37 Ca -0.17 -2.98 -0.11 0.00 -0.04 0.00 0.00 63.50 60.20 3a3p n PRO 37 Cb 0.57 -3.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.51 3a3p n PRO 37 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a3p s ALA 38 N 4.94 -0.85 -0.06 0.55 0.00 -1.26 -1.47 121.76 123.62 3a3p s ALA 38 Ca 0.55 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 3a3p s ALA 38 Cb 0.06 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.74 3a3p s ALA 38 CO 0.06 -0.56 0.15 0.54 0.00 0.00 0.00 175.76 175.95 3a3p s VAL 39 N -3.38 0.00 -0.13 0.00 0.11 -0.59 -1.84 120.40 114.58 3a3p s VAL 39 Ca 0.00 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 3a3p s VAL 39 Cb 0.01 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 3a3p s VAL 39 CO -0.09 -0.00 0.39 -0.69 -3.33 0.00 0.00 175.10 171.38 3a3p s VAL 40 N 0.06 5.23 0.01 2.04 1.01 0.15 -1.25 120.40 127.66 3a3p s VAL 40 Ca -0.00 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.76 3a3p s VAL 40 Cb -0.01 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3a3p s VAL 40 CO 0.00 0.37 -0.05 0.68 0.00 0.00 0.00 175.10 176.10 3a3p s VAL 41 N 0.44 0.38 -0.24 2.92 -7.23 -0.23 0.50 120.40 116.94 3a3p s VAL 41 Ca 0.22 -0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 3a3p s VAL 41 Cb -0.14 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.36 3a3p s VAL 41 CO 0.08 -0.12 0.15 -1.81 -0.31 0.00 0.00 175.10 173.09 3a3p s ASP 42 N -0.71 6.00 0.19 4.85 1.01 -0.23 -1.10 116.67 126.67 3a3p s ASP 42 Ca -0.04 0.08 0.09 0.00 0.71 0.00 0.00 52.55 53.39 3a3p s ASP 42 Cb -0.05 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3a3p s ASP 42 CO -0.00 0.06 -0.18 0.68 0.21 0.00 0.00 175.17 175.94 3a3p s VAL 43 N 1.09 1.92 0.37 -1.27 -7.23 0.03 -0.52 120.40 114.80 3a3p s VAL 43 Ca 0.07 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 57.93 3a3p s VAL 43 Cb -0.14 -1.95 -0.11 0.00 0.56 0.00 0.00 36.38 34.74 3a3p s VAL 43 CO 0.05 -0.36 1.50 -2.65 -0.31 0.00 0.00 175.10 173.33 3a3p n PRO 44 N 0.07 2.69 -0.30 4.82 -0.02 -1.26 -0.16 135.00 140.85 3a3p n PRO 44 Ca -0.11 0.95 0.21 0.00 -2.02 0.00 0.00 63.50 62.52 3a3p n PRO 44 Cb 0.58 -2.69 0.51 0.00 -0.02 0.00 0.00 33.50 31.88 3a3p n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a3p h ALA 45 N 3.12 2.22 -0.02 3.55 0.00 -1.90 0.11 119.26 126.33 3a3p h ALA 45 Ca -0.51 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a3p h ALA 45 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3a3p h ALA 45 CO 0.65 -0.58 0.00 0.27 0.00 0.00 0.00 179.25 179.60 3a3p n ASN 46 N -4.58 0.56 -0.80 0.00 2.04 -1.26 -3.95 115.26 107.27 3a3p n ASN 46 Ca 0.23 -1.30 0.08 0.00 -0.44 0.00 0.00 54.58 53.15 3a3p n ASN 46 Cb 0.81 -0.01 0.17 0.00 -2.53 0.00 0.00 39.78 38.21 3a3p n ASN 46 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3a3p n ALA 47 N -0.51 2.31 -0.15 -2.53 0.00 0.03 -4.65 120.51 115.01 3a3p n ALA 47 Ca 0.20 -1.02 -0.05 0.00 0.00 0.00 0.00 53.44 52.57 3a3p n ALA 47 Cb 0.18 -0.58 0.04 0.00 0.00 0.00 0.00 19.45 19.10 3a3p n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a3p h VAL 48 N 2.87 0.92 -0.82 0.00 2.07 -1.70 0.06 116.25 119.64 3a3p h VAL 48 Ca 0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3a3p h VAL 48 Cb 0.77 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 3a3p h VAL 48 CO 0.00 0.07 0.51 1.23 0.02 0.00 0.00 177.57 179.41 3a3p h GLY 49 N 0.41 1.22 0.95 2.17 0.00 -1.91 -1.79 103.07 104.12 3a3p h GLY 49 Ca 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3a3p h GLY 49 CO -0.17 0.28 0.18 1.70 0.00 0.00 0.00 176.54 178.52 3a3p h LYS 50 N 0.96 0.62 -0.95 4.80 3.64 -1.70 -2.81 116.57 121.13 3a3p h LYS 50 Ca 0.35 -0.11 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3a3p h LYS 50 Cb 0.12 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 3a3p h LYS 50 CO -0.15 0.56 0.61 1.25 -2.27 0.00 0.00 179.45 179.46 3a3p h LEU 51 N 0.53 1.02 -2.18 5.20 6.46 -0.40 -0.64 115.31 125.30 3a3p h LEU 51 Ca 0.14 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3a3p h LEU 51 Cb 0.17 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 3a3p h LEU 51 CO -0.01 0.69 0.00 0.11 -0.62 0.00 0.00 178.44 178.61 3a3p h LYS 52 N 1.18 0.00 -0.02 1.25 1.57 -1.08 -1.65 116.57 117.82 3a3p h LYS 52 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3a3p h LYS 52 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3a3p h LYS 52 CO -0.13 0.00 -0.39 1.63 -0.57 0.00 0.00 179.45 179.99 3a3p n LYS 53 N -2.79 1.24 -2.47 3.15 4.76 -0.27 -4.89 118.16 116.90 3a3p n LYS 53 Ca -0.02 -0.98 -0.34 0.00 -2.87 0.00 0.00 58.31 54.10 3a3p n LYS 53 Cb 0.11 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 3a3p n LYS 53 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3a3p s MET 54 N -2.43 3.71 0.33 1.97 1.75 -0.62 -4.95 119.30 119.05 3a3p s MET 54 Ca 0.21 1.44 -0.29 0.00 -1.25 0.00 0.00 55.69 55.80 3a3p s MET 54 Cb 0.19 -2.11 -0.12 0.00 2.84 0.00 0.00 34.83 35.63 3a3p s MET 54 CO 0.54 -0.52 1.39 -0.35 -0.65 0.00 0.00 175.02 175.42 3a3p n PRO 55 N -0.98 2.29 -0.47 4.11 -0.04 -1.26 -2.64 135.00 136.00 3a3p n PRO 55 Ca 0.10 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 3a3p n PRO 55 Cb 0.52 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3a3p n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a3p n GLY 56 N 1.12 1.77 3.63 0.55 0.00 -1.13 -4.37 105.19 106.75 3a3p n GLY 56 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3a3p n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3p s VAL 57 N -3.22 4.11 -0.20 1.61 1.01 -1.08 -0.47 120.40 122.16 3a3p s VAL 57 Ca 0.00 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.26 3a3p s VAL 57 Cb 0.00 -4.16 -0.21 0.00 0.00 0.00 0.00 36.38 32.01 3a3p s VAL 57 CO 0.00 -0.50 0.04 -0.62 0.00 0.00 0.00 175.10 174.02 3a3p n GLU 58 N 7.39 0.68 -3.73 2.72 1.02 0.51 -4.92 120.64 124.31 3a3p n GLU 58 Ca 0.15 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.32 3a3p n GLU 58 Cb 0.47 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 3a3p n GLU 58 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3a3p s LYS 59 N -2.53 0.48 -0.14 3.49 2.20 -1.00 -4.97 119.74 117.27 3a3p s LYS 59 Ca -0.25 0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.94 3a3p s LYS 59 Cb 0.08 0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.62 3a3p s LYS 59 CO 0.70 -0.06 -0.16 0.08 -0.36 0.00 0.00 175.35 175.55 3a3p s VAL 60 N 0.24 2.67 -0.07 4.02 1.01 -1.26 -0.80 120.40 126.20 3a3p s VAL 60 Ca -0.00 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3a3p s VAL 60 Cb -0.03 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3a3p s VAL 60 CO 0.00 0.52 -0.19 -1.61 0.00 0.00 0.00 175.10 173.82 3a3p s GLU 61 N 0.65 2.27 0.92 2.72 2.02 0.20 -4.97 118.70 122.51 3a3p s GLU 61 Ca -0.08 -0.70 -0.11 0.00 0.02 0.00 0.00 54.97 54.10 3a3p s GLU 61 Cb -0.16 -1.85 0.14 0.00 0.10 0.00 0.00 34.13 32.37 3a3p s GLU 61 CO 0.02 0.20 1.11 -0.06 0.02 0.00 0.00 175.26 176.55 3a3p s PHE 62 N 0.23 1.93 -0.44 1.61 0.40 -1.26 -0.18 117.98 120.28 3a3p s PHE 62 Ca -0.11 1.54 -0.20 0.00 -0.60 0.00 0.00 56.93 57.57 3a3p s PHE 62 Cb -0.15 -3.20 0.02 0.00 0.51 0.00 0.00 43.02 40.20 3a3p s PHE 62 CO 0.05 -2.66 0.59 0.34 0.70 0.00 0.00 175.22 174.24 3a3p s ASP 63 N -2.96 6.28 0.64 1.36 -1.08 -1.21 -4.68 116.67 115.02 3a3p s ASP 63 Ca 0.65 -0.45 -0.02 0.00 -0.52 0.00 0.00 52.55 52.21 3a3p s ASP 63 Cb -0.21 -2.29 0.06 0.00 -1.46 0.00 0.00 42.92 39.02 3a3p s ASP 63 CO 0.58 -0.73 0.90 -1.00 0.52 0.00 0.00 175.17 175.44 3a3p s HIS 64 N 2.63 2.67 -0.06 -5.34 3.76 -1.26 -5.06 115.29 112.63 3a3p s HIS 64 Ca 0.19 0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 3a3p s HIS 64 Cb -0.15 -2.97 -0.02 0.00 1.11 0.00 0.00 32.58 30.55 3a3p s HIS 64 CO 0.17 -1.21 -0.19 -0.65 -0.85 0.00 0.00 174.74 172.01 3a3p s GLN 65 N -5.00 2.59 0.24 1.40 -1.52 -1.26 -5.12 119.66 110.99 3a3p s GLN 65 Ca 0.60 -0.79 0.09 0.00 -1.95 0.00 0.00 55.36 53.31 3a3p s GLN 65 Cb -0.10 -2.30 -0.04 0.00 -0.22 0.00 0.00 33.01 30.35 3a3p s GLN 65 CO 0.42 0.48 -0.02 0.00 -0.25 0.00 0.00 175.29 175.92 3a3p s ALA 66 N -0.38 3.13 0.13 6.09 0.00 -1.26 -5.15 121.76 124.33 3a3p s ALA 66 Ca 0.03 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.45 3a3p s ALA 66 Cb -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3a3p s ALA 66 CO 0.02 0.32 -0.11 0.14 0.00 0.00 0.00 175.76 176.13 3a3p s VAL 67 N -2.16 1.21 0.49 0.00 -7.23 -1.26 -5.13 120.40 106.31 3a3p s VAL 67 Ca 0.30 -1.90 -0.23 0.00 -1.81 0.00 0.00 61.98 58.34 3a3p s VAL 67 Cb -0.07 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.12 3a3p s VAL 67 CO 0.19 -0.62 1.25 -1.48 -0.31 0.00 0.00 175.10 174.13 3a3p s LEU 68 N -2.86 3.96 0.00 1.32 2.34 -1.26 -5.37 118.68 116.82 3a3p s LEU 68 Ca 0.13 2.51 0.18 0.00 0.06 0.00 0.00 54.13 57.01 3a3p s LEU 68 Cb -0.01 -4.23 0.14 0.00 -0.56 0.00 0.00 46.19 41.53 3a3p s LEU 68 CO 0.01 -1.17 1.06 0.18 -1.06 0.00 0.00 176.35 175.37