#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i81 s VAL 9 N 0.00 0.00 0.39 5.15 -7.23 -1.26 -4.86 120.40 112.59 1i81 s VAL 9 Ca 0.00 0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 59.89 1i81 s VAL 9 Cb 0.00 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.84 1i81 s VAL 9 CO 0.00 0.00 1.46 0.21 -0.31 0.00 0.00 175.10 176.46 1i81 s ASN 10 N 0.27 6.30 0.00 4.85 3.84 -1.26 -4.86 114.94 124.08 1i81 s ASN 10 Ca 0.01 2.99 0.07 0.00 0.21 0.00 0.00 52.86 56.14 1i81 s ASN 10 Cb -0.05 -2.66 0.35 0.00 -0.55 0.00 0.00 41.25 38.33 1i81 s ASN 10 CO -0.01 -0.89 1.17 1.33 -2.79 0.00 0.00 177.10 175.91 1i81 n VAL 11 N 0.37 1.18 0.26 -5.21 0.24 -1.26 -1.69 118.33 112.23 1i81 n VAL 11 Ca 0.02 0.30 0.03 0.00 -2.04 0.00 0.00 64.34 62.64 1i81 n VAL 11 Cb 0.40 -1.17 0.01 0.00 -1.47 0.00 0.00 33.84 31.61 1i81 n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i81 n GLN 12 N -1.39 1.16 -3.26 7.34 6.02 -1.26 -4.79 117.38 121.18 1i81 n GLN 12 Ca 0.03 -0.67 -0.26 0.00 -0.01 0.00 0.00 57.00 56.09 1i81 n GLN 12 Cb 0.07 -1.04 -0.07 0.00 1.02 0.00 0.00 30.24 30.23 1i81 n GLN 12 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1i81 n ARG 13 N -0.00 2.28 -0.19 -1.09 1.74 -0.68 -4.93 116.66 113.79 1i81 n ARG 13 Ca 0.03 -4.39 0.10 0.00 -0.77 0.00 0.00 57.85 52.82 1i81 n ARG 13 Cb 0.14 -2.04 0.40 0.00 -1.02 0.00 0.00 32.46 29.94 1i81 n ARG 13 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1i81 h PRO 14 N 3.81 0.62 0.00 5.56 0.13 -1.87 -1.01 132.00 139.24 1i81 h PRO 14 Ca 0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1i81 h PRO 14 Cb 0.68 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1i81 h PRO 14 CO 0.75 0.41 0.00 -0.07 -0.23 0.00 0.00 178.00 178.86 1i81 h LEU 15 N 0.64 0.00 -0.41 1.56 4.07 -1.94 -1.83 115.31 117.39 1i81 h LEU 15 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1i81 h LEU 15 Cb 0.53 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1i81 h LEU 15 CO -0.13 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.70 1i81 n ASP 16 N -2.50 0.29 0.21 -0.43 8.00 -0.38 -1.12 116.55 120.62 1i81 n ASP 16 Ca -0.01 0.59 0.06 0.00 0.71 0.00 0.00 54.79 56.14 1i81 n ASP 16 Cb 0.11 -0.64 0.47 0.00 -0.02 0.00 0.00 41.12 41.04 1i81 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i81 h ALA 17 N 2.28 1.35 -0.35 2.24 0.00 -1.52 -2.27 119.26 120.99 1i81 h ALA 17 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1i81 h ALA 17 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1i81 h ALA 17 CO 0.00 0.35 -0.09 -0.07 0.00 0.00 0.00 179.25 179.44 1i81 h LEU 18 N 0.00 0.69 -1.16 0.00 3.38 -1.34 -2.77 115.31 114.10 1i81 h LEU 18 Ca -0.00 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.66 1i81 h LEU 18 Cb 0.55 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 1i81 h LEU 18 CO 0.04 0.89 0.58 1.23 0.09 0.00 0.00 178.44 181.27 1i81 h GLY 19 N 0.47 1.28 2.00 0.83 0.00 -1.52 -0.50 103.07 105.63 1i81 h GLY 19 Ca 0.09 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1i81 h GLY 19 CO 0.03 0.33 0.00 3.43 0.00 0.00 0.00 176.54 180.33 1i81 h ASN 20 N 1.05 0.00 -0.02 0.19 2.35 -1.14 -2.76 115.58 115.25 1i81 h ASN 20 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1i81 h ASN 20 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1i81 h ASN 20 CO -0.13 0.00 -0.18 -1.20 -1.65 0.00 0.00 177.43 174.27 1i81 n SER 21 N -2.55 2.26 -4.58 5.81 7.64 -0.22 -4.96 113.62 117.02 1i81 n SER 21 Ca 0.00 -1.63 -0.48 0.00 1.01 0.00 0.00 58.87 57.77 1i81 n SER 21 Cb 0.17 0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.55 1i81 n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i81 n LEU 22 N 0.57 1.63 -2.04 -3.43 4.77 -1.04 -0.65 117.00 116.81 1i81 n LEU 22 Ca 0.10 1.15 -0.20 0.00 -0.03 0.00 0.00 56.01 57.02 1i81 n LEU 22 Cb 0.45 -1.23 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 1i81 n LEU 22 CO 0.18 -1.28 -0.23 0.59 -1.33 0.00 0.00 177.39 175.31 1i81 n ASN 23 N 1.92 -5.54 -4.25 -1.43 3.02 0.13 -4.97 115.26 104.15 1i81 n ASN 23 Ca 0.14 0.22 -0.16 0.00 -0.03 0.00 0.00 54.58 54.76 1i81 n ASN 23 Cb 0.26 -4.74 -0.10 0.00 -0.61 0.00 0.00 39.78 34.58 1i81 n ASN 23 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1i81 s SER 24 N -2.34 1.90 0.47 6.41 0.01 0.18 -4.90 113.70 115.43 1i81 s SER 24 Ca 0.00 -0.92 -0.23 0.00 1.31 0.00 0.00 55.95 56.11 1i81 s SER 24 Cb 0.00 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 1i81 s SER 24 CO 0.00 -0.24 1.19 -2.84 0.41 0.00 0.00 173.24 171.75 1i81 s PRO 25 N -3.27 3.69 0.17 12.44 0.02 -1.26 -1.73 135.00 145.05 1i81 s PRO 25 Ca 0.13 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 1i81 s PRO 25 Cb -0.01 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 1i81 s PRO 25 CO 0.02 -0.62 0.17 0.14 -0.33 0.00 0.00 177.00 176.38 1i81 s VAL 26 N -1.52 0.06 -0.14 3.83 -7.23 -0.00 -4.68 120.40 110.72 1i81 s VAL 26 Ca 0.64 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.10 1i81 s VAL 26 Cb -0.30 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1i81 s VAL 26 CO 0.36 -0.27 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.03 1i81 s ILE 27 N -4.05 2.05 -0.17 -0.62 1.01 0.12 -2.66 121.20 116.89 1i81 s ILE 27 Ca 0.25 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1i81 s ILE 27 Cb 0.05 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1i81 s ILE 27 CO 0.04 0.55 -0.12 -0.63 0.00 0.00 0.00 174.94 174.78 1i81 s ILE 28 N 0.85 2.95 -0.22 2.92 -1.09 0.13 -1.27 121.20 125.47 1i81 s ILE 28 Ca -0.06 -0.67 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 1i81 s ILE 28 Cb -0.15 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1i81 s ILE 28 CO -0.03 0.50 0.01 -0.75 -1.23 0.00 0.00 174.94 173.44 1i81 s LYS 29 N 0.86 3.57 0.34 2.79 2.47 -0.22 -0.54 119.74 129.02 1i81 s LYS 29 Ca -0.03 -0.53 0.08 0.00 -1.56 0.00 0.00 55.97 53.92 1i81 s LYS 29 Cb -0.15 -3.14 -0.03 0.00 -1.46 0.00 0.00 37.83 33.04 1i81 s LYS 29 CO 0.00 -0.11 0.25 -0.51 0.16 0.00 0.00 175.35 175.14 1i81 s LEU 30 N 1.32 3.47 0.61 5.43 1.43 0.10 0.14 118.68 131.18 1i81 s LEU 30 Ca 0.04 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 1i81 s LEU 30 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1i81 s LEU 30 CO 0.01 -0.36 1.10 0.29 0.23 0.00 0.00 176.35 177.63 1i81 n LYS 31 N -1.31 1.02 -1.14 1.70 5.02 -0.05 -3.00 118.16 120.40 1i81 n LYS 31 Ca -0.02 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1i81 n LYS 31 Cb 0.60 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 1i81 n LYS 31 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i81 n GLY 32 N 1.13 0.49 3.91 0.72 0.00 -1.26 -4.13 105.19 106.04 1i81 n GLY 32 Ca 0.14 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 1i81 n GLY 32 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i81 n ASP 33 N 1.76 -3.44 -4.70 1.61 4.64 -1.16 -4.99 116.55 110.26 1i81 n ASP 33 Ca 0.00 -0.84 -0.31 0.00 -1.38 0.00 0.00 54.79 52.26 1i81 n ASP 33 Cb 0.13 -3.71 -0.08 0.00 -1.04 0.00 0.00 41.12 36.42 1i81 n ASP 33 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 1i81 s ARG 34 N -6.52 2.71 -0.01 -0.67 3.52 -1.17 -4.99 118.95 111.83 1i81 s ARG 34 Ca 0.47 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 1i81 s ARG 34 Cb -0.24 -2.63 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1i81 s ARG 34 CO 0.84 0.58 -0.07 -2.00 -0.81 0.00 0.00 175.30 173.84 1i81 s GLU 35 N -1.98 0.62 0.07 5.12 2.12 -1.25 -0.73 118.70 122.67 1i81 s GLU 35 Ca 0.23 -0.26 0.07 0.00 0.36 0.00 0.00 54.97 55.37 1i81 s GLU 35 Cb -0.12 -0.60 -0.03 0.00 0.26 0.00 0.00 34.13 33.64 1i81 s GLU 35 CO 0.15 0.15 -0.18 -0.06 -0.54 0.00 0.00 175.26 174.78 1i81 s PHE 36 N -0.11 1.53 0.00 5.30 0.08 0.30 -0.58 117.98 124.51 1i81 s PHE 36 Ca 0.02 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.69 1i81 s PHE 36 Cb -0.04 -0.88 -0.01 0.00 -0.57 0.00 0.00 43.02 41.53 1i81 s PHE 36 CO -0.00 0.11 -0.05 1.03 -0.10 0.00 0.00 175.22 176.20 1i81 s ARG 37 N -1.50 0.42 0.00 0.44 0.52 -0.25 0.19 118.95 118.77 1i81 s ARG 37 Ca 0.04 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1i81 s ARG 37 Cb -0.09 -0.38 0.00 0.00 0.52 0.00 0.00 34.95 34.99 1i81 s ARG 37 CO 0.02 0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.86 1i81 n GLY 38 N 2.81 -1.41 3.68 -3.53 0.00 -1.09 -0.03 105.19 105.63 1i81 n GLY 38 Ca -0.14 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1i81 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i81 s VAL 39 N -2.20 5.10 0.05 1.61 1.01 -0.17 -0.82 120.40 124.98 1i81 s VAL 39 Ca 0.00 1.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.71 1i81 s VAL 39 Cb 0.00 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1i81 s VAL 39 CO 0.00 0.20 1.28 -0.22 0.00 0.00 0.00 175.10 176.36 1i81 s LEU 40 N 1.41 4.35 -0.01 3.92 2.96 -0.71 -0.65 118.68 129.96 1i81 s LEU 40 Ca 0.26 2.07 0.03 0.00 -0.22 0.00 0.00 54.13 56.28 1i81 s LEU 40 Cb -0.16 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1i81 s LEU 40 CO 0.10 -0.57 0.05 0.29 -1.32 0.00 0.00 176.35 174.91 1i81 n LYS 41 N 4.35 1.18 -3.50 1.98 4.76 0.19 0.19 118.16 127.31 1i81 n LYS 41 Ca 0.10 -0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.44 1i81 n LYS 41 Cb 0.45 -1.08 -0.02 0.00 -1.84 0.00 0.00 35.03 32.54 1i81 n LYS 41 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1i81 s SER 42 N -2.70 -0.37 -0.13 4.39 0.15 -1.21 -4.87 113.70 108.95 1i81 s SER 42 Ca -0.01 0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 1i81 s SER 42 Cb 0.02 0.39 0.12 0.00 -1.71 0.00 0.00 66.02 64.84 1i81 s SER 42 CO 0.14 -0.62 1.00 0.72 1.20 0.00 0.00 173.24 175.68 1i81 s PHE 43 N -3.05 -0.33 0.22 3.44 -0.12 -1.26 -1.64 117.98 115.25 1i81 s PHE 43 Ca 0.04 0.44 0.00 0.00 -0.05 0.00 0.00 56.93 57.37 1i81 s PHE 43 Cb -0.01 0.48 -0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1i81 s PHE 43 CO -0.09 -0.37 0.01 -0.40 -0.05 0.00 0.00 175.22 174.32 1i81 n ASP 44 N 0.38 2.51 0.30 1.98 5.68 -0.77 -4.98 116.55 121.64 1i81 n ASP 44 Ca -0.08 -1.99 0.19 0.00 -0.50 0.00 0.00 54.79 52.41 1i81 n ASP 44 Cb 0.59 0.18 0.86 0.00 -1.14 0.00 0.00 41.12 41.61 1i81 n ASP 44 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1i81 h LEU 45 N 0.00 0.00 -0.30 -2.12 -0.00 -2.02 -1.69 115.31 109.19 1i81 h LEU 45 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1i81 h LEU 45 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1i81 h LEU 45 CO 0.30 0.00 -0.12 1.41 -0.00 0.00 0.00 178.44 180.04 1i81 n HIS 46 N -3.10 0.00 -1.02 0.17 8.25 -1.26 -4.90 115.22 113.37 1i81 n HIS 46 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1i81 n HIS 46 Cb 0.23 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 1i81 n HIS 46 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1i81 n MET 47 N -0.85 -0.12 -2.22 -0.41 2.81 -0.63 -4.13 117.12 111.56 1i81 n MET 47 Ca 0.15 0.24 -0.41 0.00 -1.81 0.00 0.00 57.70 55.87 1i81 n MET 47 Cb 0.28 -3.53 -0.03 0.00 -0.71 0.00 0.00 33.22 29.24 1i81 n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1i81 s ASN 48 N -2.40 6.91 0.12 7.83 0.01 -1.26 -3.52 114.94 122.63 1i81 s ASN 48 Ca 0.00 2.52 -0.08 0.00 -0.71 0.00 0.00 52.86 54.59 1i81 s ASN 48 Cb 0.00 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 1i81 s ASN 48 CO 0.00 -0.45 0.21 -1.48 -1.51 0.00 0.00 177.10 173.87 1i81 s LEU 49 N -1.28 1.30 -0.08 0.60 0.05 0.06 -1.85 118.68 117.48 1i81 s LEU 49 Ca 0.50 -0.80 0.04 0.00 0.05 0.00 0.00 54.13 53.92 1i81 s LEU 49 Cb -0.37 1.01 0.00 0.00 -2.05 0.00 0.00 46.19 44.78 1i81 s LEU 49 CO 0.46 -0.79 -0.22 -0.69 -0.55 0.00 0.00 176.35 174.56 1i81 s VAL 50 N -3.92 1.87 0.10 1.48 1.01 -0.65 0.26 120.40 120.55 1i81 s VAL 50 Ca 0.12 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1i81 s VAL 50 Cb 0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1i81 s VAL 50 CO -0.05 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 174.65 1i81 s LEU 51 N 0.29 2.80 0.15 3.92 1.43 -0.30 -0.64 118.68 126.33 1i81 s LEU 51 Ca -0.15 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 52.56 1i81 s LEU 51 Cb -0.16 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1i81 s LEU 51 CO 0.07 0.19 -0.15 0.20 0.23 0.00 0.00 176.35 176.89 1i81 s ASN 52 N -2.06 4.01 -1.42 2.29 -0.87 0.18 -1.57 114.94 115.50 1i81 s ASN 52 Ca 0.19 -0.60 -0.09 0.00 -1.57 0.00 0.00 52.86 50.79 1i81 s ASN 52 Cb -0.11 -0.60 0.05 0.00 -0.02 0.00 0.00 41.25 40.58 1i81 s ASN 52 CO 0.11 0.14 0.64 0.47 -2.57 0.00 0.00 177.10 175.88 1i81 n ASP 53 N 0.40 -4.76 -4.78 -1.22 8.00 -1.06 -1.00 116.55 112.14 1i81 n ASP 53 Ca -0.13 -0.43 -0.37 0.00 0.71 0.00 0.00 54.79 54.57 1i81 n ASP 53 Cb 0.54 -3.87 -0.04 0.00 -0.02 0.00 0.00 41.12 37.74 1i81 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i81 s ALA 54 N -3.09 3.08 0.03 2.24 0.00 -0.08 -4.56 121.76 119.39 1i81 s ALA 54 Ca 0.42 0.74 0.03 0.00 0.00 0.00 0.00 51.96 53.15 1i81 s ALA 54 Cb -0.21 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1i81 s ALA 54 CO 0.52 -0.28 -0.09 -1.21 0.00 0.00 0.00 175.76 174.71 1i81 s GLU 55 N -2.49 0.59 -0.14 0.00 2.02 0.96 -1.17 118.70 118.48 1i81 s GLU 55 Ca 0.58 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 1i81 s GLU 55 Cb -0.23 -0.48 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 1i81 s GLU 55 CO 0.29 0.11 0.07 -2.00 0.02 0.00 0.00 175.26 173.75 1i81 s GLU 56 N -1.09 3.57 0.23 1.61 2.12 -0.37 -1.09 118.70 123.68 1i81 s GLU 56 Ca -0.04 -0.30 0.11 0.00 0.36 0.00 0.00 54.97 55.11 1i81 s GLU 56 Cb -0.07 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 1i81 s GLU 56 CO 0.00 0.53 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.56 1i81 s LEU 57 N -0.36 2.61 -0.25 2.70 1.02 0.25 0.08 118.68 124.72 1i81 s LEU 57 Ca 0.09 -0.88 -0.11 0.00 0.02 0.00 0.00 54.13 53.25 1i81 s LEU 57 Cb -0.12 -1.23 0.10 0.00 0.02 0.00 0.00 46.19 44.95 1i81 s LEU 57 CO 0.02 0.08 0.58 -1.61 0.02 0.00 0.00 176.35 175.43 1i81 s GLU 58 N -3.10 0.54 -0.47 1.70 2.02 -0.58 -3.79 118.70 115.02 1i81 s GLU 58 Ca 0.26 1.20 0.00 0.00 0.02 0.00 0.00 54.97 56.44 1i81 s GLU 58 Cb -0.07 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1i81 s GLU 58 CO 0.13 -0.19 0.00 -0.25 0.02 0.00 0.00 175.26 174.97 1i81 n ASP 59 N 4.89 -5.58 0.00 -0.19 9.92 -1.26 -1.70 116.55 122.62 1i81 n ASP 59 Ca -0.16 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 1i81 n ASP 59 Cb 0.53 -3.47 0.00 0.00 -0.64 0.00 0.00 41.12 37.54 1i81 n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i81 n GLY 60 N 0.29 0.62 3.24 0.44 0.00 -1.26 -5.09 105.19 103.42 1i81 n GLY 60 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1i81 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i81 s GLU 61 N -0.88 1.77 0.01 1.61 8.01 -0.69 -5.09 118.70 123.43 1i81 s GLU 61 Ca 0.00 -0.78 -0.30 0.00 0.01 0.00 0.00 54.97 53.90 1i81 s GLU 61 Cb 0.00 -1.70 -0.07 0.00 -4.31 0.00 0.00 34.13 28.04 1i81 s GLU 61 CO 0.00 0.46 1.75 0.08 0.01 0.00 0.00 175.26 177.56 1i81 s VAL 62 N -0.50 3.25 -0.23 2.63 1.01 -1.26 -1.53 120.40 123.77 1i81 s VAL 62 Ca 0.08 0.43 0.22 0.00 0.00 0.00 0.00 61.98 62.71 1i81 s VAL 62 Cb -0.08 -3.28 -0.29 0.00 0.00 0.00 0.00 36.38 32.73 1i81 s VAL 62 CO -0.01 -0.03 0.61 0.35 0.00 0.00 0.00 175.10 176.02 1i81 n THR 63 N 5.28 0.04 -3.60 3.92 -2.24 0.11 -4.96 114.28 112.84 1i81 n THR 63 Ca 0.18 -0.41 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 1i81 n THR 63 Cb 0.42 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1i81 n THR 63 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1i81 s ARG 64 N -3.41 0.95 -0.23 -0.78 0.52 -1.20 -4.99 118.95 109.81 1i81 s ARG 64 Ca -0.04 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1i81 s ARG 64 Cb 0.14 0.44 0.05 0.00 0.52 0.00 0.00 34.95 36.10 1i81 s ARG 64 CO 0.89 -0.31 -0.11 0.50 0.02 0.00 0.00 175.30 176.29 1i81 s ARG 65 N -1.62 2.20 0.00 3.54 3.52 -1.26 -1.24 118.95 124.09 1i81 s ARG 65 Ca -0.10 -1.07 0.19 0.00 -0.13 0.00 0.00 55.73 54.62 1i81 s ARG 65 Cb -0.02 -2.66 -0.13 0.00 -1.56 0.00 0.00 34.95 30.58 1i81 s ARG 65 CO 0.05 -0.48 0.87 1.28 -0.81 0.00 0.00 175.30 176.21 1i81 n LEU 66 N 4.57 1.25 0.00 -0.88 4.77 -0.31 -5.01 117.00 121.38 1i81 n LEU 66 Ca -0.15 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1i81 n LEU 66 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1i81 n LEU 66 CO 0.21 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1i81 n GLY 67 N 1.39 3.59 3.75 -0.72 0.00 -1.14 -4.56 105.19 107.51 1i81 n GLY 67 Ca 0.05 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1i81 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i81 s THR 68 N 0.00 4.15 -0.22 2.61 2.01 -1.26 -0.90 115.64 122.03 1i81 s THR 68 Ca 0.00 2.02 -0.19 0.00 0.31 0.00 0.00 61.69 63.83 1i81 s THR 68 Cb 0.00 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.27 1i81 s THR 68 CO 0.00 0.49 0.58 0.54 -0.69 0.00 0.00 174.62 175.55 1i81 s VAL 69 N -1.10 -0.00 -0.26 3.82 0.11 -0.61 -4.98 120.40 117.38 1i81 s VAL 69 Ca 0.40 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.37 1i81 s VAL 69 Cb -0.25 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 1i81 s VAL 69 CO 0.31 0.00 0.13 -0.22 -3.33 0.00 0.00 175.10 171.99 1i81 s LEU 70 N 0.54 3.73 -0.17 2.54 2.96 -1.26 -1.15 118.68 125.87 1i81 s LEU 70 Ca -0.02 -0.10 -0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1i81 s LEU 70 Cb -0.05 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1i81 s LEU 70 CO -0.03 -0.04 0.00 -0.63 -1.32 0.00 0.00 176.35 174.34 1i81 s ILE 71 N 1.65 4.20 0.01 6.68 1.01 0.14 -4.96 121.20 129.93 1i81 s ILE 71 Ca 0.07 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1i81 s ILE 71 Cb -0.15 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1i81 s ILE 71 CO 0.07 0.47 1.06 -0.13 0.00 0.00 0.00 174.94 176.41 1i81 s ARG 72 N 0.50 4.50 0.46 2.79 0.52 -1.26 -0.76 118.95 125.69 1i81 s ARG 72 Ca -0.01 1.54 0.16 0.00 -0.52 0.00 0.00 55.73 56.91 1i81 s ARG 72 Cb -0.14 -3.43 1.11 0.00 0.52 0.00 0.00 34.95 33.01 1i81 s ARG 72 CO 0.02 -0.15 1.98 0.78 0.02 0.00 0.00 175.30 177.95 1i81 h GLY 73 N 6.94 0.45 1.60 -3.53 0.00 -1.71 -2.71 103.07 104.11 1i81 h GLY 73 Ca -0.40 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1i81 h GLY 73 CO 0.78 0.07 0.00 2.09 0.00 0.00 0.00 176.54 179.48 1i81 n ASP 74 N -4.46 0.00 -0.41 0.19 5.75 -1.26 -1.57 116.55 114.79 1i81 n ASP 74 Ca 0.10 0.14 0.11 0.00 -0.01 0.00 0.00 54.79 55.13 1i81 n ASP 74 Cb 0.42 -0.30 -0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1i81 n ASP 74 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1i81 n ASN 75 N -1.30 1.83 -4.76 -1.12 3.02 -1.02 -4.98 115.26 106.92 1i81 n ASN 75 Ca 0.05 -1.40 -0.40 0.00 -0.03 0.00 0.00 54.58 52.80 1i81 n ASN 75 Cb 0.10 0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 39.75 1i81 n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i81 s ILE 76 N -2.56 4.37 -0.24 2.41 1.01 -0.61 -0.87 121.20 124.70 1i81 s ILE 76 Ca 0.17 1.81 -0.14 0.00 0.00 0.00 0.00 60.65 62.49 1i81 s ILE 76 Cb 0.18 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 1i81 s ILE 76 CO 0.62 0.47 -0.34 0.52 0.00 0.00 0.00 174.94 176.21 1i81 n VAL 77 N 1.87 1.48 -3.70 2.92 0.31 0.12 -4.83 118.33 116.49 1i81 n VAL 77 Ca -0.04 -0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 63.96 1i81 n VAL 77 Cb 0.49 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.39 1i81 n VAL 77 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1i81 s TYR 78 N -2.59 -0.15 -0.02 3.52 -0.85 -1.04 -5.01 117.35 111.21 1i81 s TYR 78 Ca -0.35 -0.18 0.02 0.00 -0.52 0.00 0.00 57.07 56.04 1i81 s TYR 78 Cb 0.12 0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.83 1i81 s TYR 78 CO 0.46 -0.86 -0.06 0.42 -1.52 0.00 0.00 175.55 173.98 1i81 s ILE 79 N -3.85 0.54 -0.03 -3.49 1.01 -1.26 -1.05 121.20 113.06 1i81 s ILE 79 Ca 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 1i81 s ILE 79 Cb -0.00 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.97 1i81 s ILE 79 CO -0.05 0.18 0.10 -0.55 0.00 0.00 0.00 174.94 174.63 1i81 s SER 80 N 0.28 -0.08 0.00 3.58 0.15 -0.40 -4.98 113.70 112.25 1i81 s SER 80 Ca -0.03 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1i81 s SER 80 Cb -0.08 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1i81 s SER 80 CO -0.00 -0.09 0.47 -2.65 1.20 0.00 0.00 173.24 172.17