#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i81 s ASN 10 N 0.00 6.50 0.00 4.52 3.04 -1.26 -4.81 114.94 122.93 1i81 s ASN 10 Ca 0.00 2.71 0.00 0.00 0.04 0.00 0.00 52.86 55.61 1i81 s ASN 10 Cb 0.00 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 37.12 1i81 s ASN 10 CO 0.00 -0.89 0.54 1.33 -3.04 0.00 0.00 177.10 175.04 1i81 n VAL 11 N 4.02 0.33 -0.00 -5.21 0.24 -1.26 0.23 118.33 116.68 1i81 n VAL 11 Ca 0.15 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 1i81 n VAL 11 Cb 0.37 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 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 -1.04 -0.23 -3.52 7.34 6.02 -1.26 -4.86 117.38 119.83 1i81 n GLN 12 Ca 0.00 -0.69 -0.27 0.00 -0.01 0.00 0.00 57.00 56.03 1i81 n GLN 12 Cb 0.01 -1.00 -0.10 0.00 1.02 0.00 0.00 30.24 30.18 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 -0.10 1.20 -0.04 -1.09 1.74 0.14 -4.95 116.66 113.56 1i81 n ARG 13 Ca 0.00 -3.85 0.09 0.00 -0.77 0.00 0.00 57.85 53.31 1i81 n ARG 13 Cb 0.05 -1.88 0.47 0.00 -1.02 0.00 0.00 32.46 30.08 1i81 n ARG 13 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1i81 h PRO 14 N 5.02 0.44 0.00 5.56 0.11 -1.89 -1.60 132.00 139.64 1i81 h PRO 14 Ca 0.19 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1i81 h PRO 14 Cb 0.81 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1i81 h PRO 14 CO 0.58 0.29 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.59 1i81 h LEU 15 N 0.46 0.00 -2.10 2.35 4.07 -1.94 -1.50 115.31 116.65 1i81 h LEU 15 Ca 0.22 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.19 1i81 h LEU 15 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1i81 h LEU 15 CO -0.06 0.00 0.05 0.44 -1.08 0.00 0.00 178.44 177.79 1i81 h ASP 16 N 0.00 0.00 -0.34 -0.43 5.19 -1.66 0.31 116.42 119.49 1i81 h ASP 16 Ca -0.00 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1i81 h ASP 16 Cb 0.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1i81 h ASP 16 CO 0.00 0.00 0.23 0.00 -3.12 0.00 0.00 179.24 176.35 1i81 h ALA 17 N 1.96 1.83 -0.06 3.45 0.00 -1.45 -0.47 119.26 124.52 1i81 h ALA 17 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1i81 h ALA 17 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i81 h ALA 17 CO -0.00 0.14 -0.11 -0.07 0.00 0.00 0.00 179.25 179.21 1i81 h LEU 18 N 0.40 0.20 -1.21 0.00 3.38 -0.55 -3.15 115.31 114.38 1i81 h LEU 18 Ca 0.13 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1i81 h LEU 18 Cb 0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1i81 h LEU 18 CO -0.03 0.71 0.57 1.23 0.09 0.00 0.00 178.44 181.01 1i81 h GLY 19 N -0.31 1.25 0.70 0.83 0.00 -1.05 0.16 103.07 104.64 1i81 h GLY 19 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1i81 h GLY 19 CO 0.02 0.24 0.00 0.70 0.00 0.00 0.00 176.54 177.50 1i81 n ASN 20 N -4.51 0.00 -0.10 0.19 3.02 -0.25 -2.52 115.26 111.09 1i81 n ASN 20 Ca 0.14 -0.92 0.02 0.00 -0.03 0.00 0.00 54.58 53.79 1i81 n ASN 20 Cb 0.26 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 1i81 n ASN 20 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i81 n SER 21 N -0.85 0.97 -4.63 6.41 7.64 0.54 -4.99 113.62 118.71 1i81 n SER 21 Ca 0.12 -0.98 -0.46 0.00 1.01 0.00 0.00 58.87 58.55 1i81 n SER 21 Cb 0.05 0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.17 2.48 0.00 -3.43 4.77 -1.05 -0.39 117.00 119.21 1i81 n LEU 22 Ca 0.02 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1i81 n LEU 22 Cb 0.08 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.83 1i81 n LEU 22 CO 0.04 -0.80 0.00 0.59 -1.33 0.00 0.00 177.39 175.89 1i81 n ASN 23 N 2.16 -3.14 -4.56 -1.43 3.02 0.14 -4.99 115.26 106.47 1i81 n ASN 23 Ca 0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.39 1i81 n ASN 23 Cb 0.28 -1.77 -0.10 0.00 -0.61 0.00 0.00 39.78 37.59 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 -2.15 4.26 0.45 6.41 0.01 0.47 -4.85 113.70 118.30 1i81 s SER 24 Ca 0.00 -0.47 -0.25 0.00 1.31 0.00 0.00 55.95 56.54 1i81 s SER 24 Cb 0.00 -0.75 -0.08 0.00 0.21 0.00 0.00 66.02 65.40 1i81 s SER 24 CO 0.00 0.16 1.42 -2.84 0.41 0.00 0.00 173.24 172.39 1i81 s PRO 25 N -2.35 3.69 0.10 12.44 0.02 -1.26 -2.23 135.00 145.41 1i81 s PRO 25 Ca 0.22 2.40 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 1i81 s PRO 25 Cb -0.10 -2.65 -0.02 0.00 0.02 0.00 0.00 34.50 31.74 1i81 s PRO 25 CO 0.13 -0.81 0.14 0.14 -0.33 0.00 0.00 177.00 176.28 1i81 s VAL 26 N -1.21 0.14 -0.16 3.83 -7.23 0.14 -4.73 120.40 111.18 1i81 s VAL 26 Ca 0.61 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 1i81 s VAL 26 Cb -0.43 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 34.90 1i81 s VAL 26 CO 0.56 -0.62 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.93 1i81 s ILE 27 N -3.93 2.42 -0.26 -0.62 1.01 -0.53 -1.89 121.20 117.40 1i81 s ILE 27 Ca 0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 59.86 1i81 s ILE 27 Cb 0.06 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 1i81 s ILE 27 CO -0.06 0.52 0.04 -0.63 0.00 0.00 0.00 174.94 174.81 1i81 s ILE 28 N 0.99 3.82 -0.35 2.92 -1.09 0.20 -0.29 121.20 127.40 1i81 s ILE 28 Ca -0.02 -0.53 -0.13 0.00 -2.23 0.00 0.00 60.65 57.74 1i81 s ILE 28 Cb -0.15 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.86 1i81 s ILE 28 CO -0.04 0.24 0.26 -0.75 -1.23 0.00 0.00 174.94 173.42 1i81 s LYS 29 N 1.51 3.43 0.38 2.79 2.47 0.22 -0.85 119.74 129.69 1i81 s LYS 29 Ca 0.04 -0.68 0.02 0.00 -1.56 0.00 0.00 55.97 53.79 1i81 s LYS 29 Cb -0.16 -3.83 -0.02 0.00 -1.46 0.00 0.00 37.83 32.36 1i81 s LYS 29 CO 0.01 -0.49 0.57 -0.51 0.16 0.00 0.00 175.35 175.09 1i81 s LEU 30 N 1.74 3.89 1.39 5.43 1.43 0.38 0.46 118.68 133.39 1i81 s LEU 30 Ca 0.06 0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 1i81 s LEU 30 Cb -0.18 -3.14 0.35 0.00 0.03 0.00 0.00 46.19 43.25 1i81 s LEU 30 CO 0.11 -0.46 0.97 -0.54 0.23 0.00 0.00 176.35 176.66 1i81 s LYS 31 N -4.37 -2.66 -0.56 1.70 1.02 0.26 -2.69 119.74 112.45 1i81 s LYS 31 Ca 0.43 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.47 1i81 s LYS 31 Cb -0.10 -1.42 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 1i81 s LYS 31 CO 0.36 -4.68 0.00 0.41 -0.92 0.00 0.00 175.35 170.52 1i81 n GLY 32 N 0.84 0.50 3.78 -3.33 0.00 -1.26 -2.64 105.19 103.08 1i81 n GLY 32 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1i81 n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i81 n ASP 33 N -1.09 -2.34 -4.69 1.61 8.00 -1.09 -5.00 116.55 111.95 1i81 n ASP 33 Ca -0.05 -0.95 -0.30 0.00 0.71 0.00 0.00 54.79 54.19 1i81 n ASP 33 Cb 0.55 -3.49 -0.08 0.00 -0.02 0.00 0.00 41.12 38.07 1i81 n ASP 33 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1i81 s ARG 34 N -6.15 2.54 0.05 -1.24 3.52 -1.08 -4.88 118.95 111.71 1i81 s ARG 34 Ca 0.17 -0.84 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 1i81 s ARG 34 Cb -0.06 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1i81 s ARG 34 CO 0.85 0.54 -0.14 -2.00 -0.81 0.00 0.00 175.30 173.75 1i81 s GLU 35 N -2.30 0.84 -0.02 5.12 2.12 -1.10 -0.47 118.70 122.90 1i81 s GLU 35 Ca 0.26 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.77 1i81 s GLU 35 Cb -0.12 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.44 1i81 s GLU 35 CO 0.18 0.20 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.98 1i81 s PHE 36 N -1.06 0.58 -0.04 5.30 0.08 -0.03 0.32 117.98 123.12 1i81 s PHE 36 Ca -0.01 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 56.95 1i81 s PHE 36 Cb -0.09 -0.43 0.01 0.00 -0.57 0.00 0.00 43.02 41.94 1i81 s PHE 36 CO 0.02 -0.06 -0.11 1.03 -0.10 0.00 0.00 175.22 176.00 1i81 s ARG 37 N 0.17 1.35 0.00 0.44 0.52 -0.80 0.59 118.95 121.22 1i81 s ARG 37 Ca -0.02 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1i81 s ARG 37 Cb -0.06 -1.18 0.00 0.00 0.52 0.00 0.00 34.95 34.23 1i81 s ARG 37 CO -0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1i81 n GLY 38 N 3.53 -1.22 3.57 -3.53 0.00 -0.79 -1.31 105.19 105.43 1i81 n GLY 38 Ca -0.21 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.81 5.16 0.06 1.61 1.01 -0.83 0.27 120.40 124.87 1i81 s VAL 39 Ca 0.00 0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1i81 s VAL 39 Cb 0.00 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 1i81 s VAL 39 CO 0.00 -0.01 1.75 -0.22 0.00 0.00 0.00 175.10 176.62 1i81 s LEU 40 N 2.06 4.38 -0.02 3.92 2.96 -0.95 -1.35 118.68 129.69 1i81 s LEU 40 Ca 0.13 2.54 0.06 0.00 -0.22 0.00 0.00 54.13 56.65 1i81 s LEU 40 Cb -0.16 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 1i81 s LEU 40 CO 0.11 -0.95 0.12 0.29 -1.32 0.00 0.00 176.35 174.60 1i81 n LYS 41 N 6.23 0.85 -3.49 1.98 4.76 0.13 0.27 118.16 128.89 1i81 n LYS 41 Ca 0.17 -0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.47 1i81 n LYS 41 Cb 0.40 -1.16 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 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 -3.00 -0.43 -0.10 4.39 0.15 -1.18 -4.88 113.70 108.66 1i81 s SER 42 Ca -0.03 0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.40 1i81 s SER 42 Cb 0.04 0.43 0.11 0.00 -1.71 0.00 0.00 66.02 64.89 1i81 s SER 42 CO 0.27 -0.68 0.92 0.72 1.20 0.00 0.00 173.24 175.68 1i81 s PHE 43 N -2.99 -0.40 0.42 3.44 -0.12 -1.26 -1.33 117.98 115.75 1i81 s PHE 43 Ca 0.03 0.57 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 1i81 s PHE 43 Cb -0.01 0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1i81 s PHE 43 CO -0.08 -0.44 0.00 -0.40 -0.05 0.00 0.00 175.22 174.25 1i81 n ASP 44 N 0.46 3.16 0.11 1.98 5.68 -0.87 -4.98 116.55 122.09 1i81 n ASP 44 Ca -0.11 -2.85 0.10 0.00 -0.50 0.00 0.00 54.79 51.43 1i81 n ASP 44 Cb 0.59 0.30 0.46 0.00 -1.14 0.00 0.00 41.12 41.33 1i81 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1i81 n LEU 45 N 0.00 0.52 -0.14 -2.12 -0.00 -1.26 -1.28 117.00 112.71 1i81 n LEU 45 Ca -0.17 0.65 0.13 0.00 -0.00 0.00 0.00 56.01 56.61 1i81 n LEU 45 Cb 0.54 -0.61 0.32 0.00 -0.00 0.00 0.00 43.42 43.67 1i81 n LEU 45 CO 0.29 -0.59 0.56 1.41 -0.00 0.00 0.00 177.39 179.06 1i81 n HIS 46 N -2.10 0.00 -1.20 1.47 8.25 -1.26 -4.92 115.22 115.46 1i81 n HIS 46 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 1i81 n HIS 46 Cb 0.17 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.00 -0.13 -2.43 -0.41 2.81 -0.41 -4.24 117.12 111.31 1i81 n MET 47 Ca 0.09 0.49 -0.37 0.00 -1.81 0.00 0.00 57.70 56.11 1i81 n MET 47 Cb 0.34 -4.08 -0.03 0.00 -0.71 0.00 0.00 33.22 28.75 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 -2.97 6.60 0.14 7.83 0.01 -1.26 -3.40 114.94 121.89 1i81 s ASN 48 Ca 0.00 2.16 -0.15 0.00 -0.71 0.00 0.00 52.86 54.16 1i81 s ASN 48 Cb 0.00 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.09 1i81 s ASN 48 CO 0.00 -0.61 0.40 -1.48 -1.51 0.00 0.00 177.10 173.90 1i81 s LEU 49 N -2.66 0.46 -0.08 0.60 0.05 -0.52 -2.04 118.68 114.48 1i81 s LEU 49 Ca 0.59 -0.44 0.05 0.00 0.05 0.00 0.00 54.13 54.38 1i81 s LEU 49 Cb -0.25 1.78 -0.00 0.00 -2.05 0.00 0.00 46.19 45.67 1i81 s LEU 49 CO 0.31 -0.89 -0.23 -0.69 -0.55 0.00 0.00 176.35 174.30 1i81 s VAL 50 N -3.84 1.97 0.12 1.48 1.01 -0.44 -0.67 120.40 120.04 1i81 s VAL 50 Ca 0.06 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1i81 s VAL 50 Cb 0.02 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1i81 s VAL 50 CO -0.09 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.60 1i81 s LEU 51 N 0.16 2.62 0.16 3.92 1.43 -0.54 0.18 118.68 126.61 1i81 s LEU 51 Ca -0.12 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1i81 s LEU 51 Cb -0.16 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1i81 s LEU 51 CO 0.06 0.17 -0.13 0.20 0.23 0.00 0.00 176.35 176.89 1i81 s ASN 52 N -2.16 4.10 -1.24 2.29 -0.87 -0.46 -1.64 114.94 114.97 1i81 s ASN 52 Ca 0.17 -0.59 -0.21 0.00 -1.57 0.00 0.00 52.86 50.66 1i81 s ASN 52 Cb -0.10 -0.64 0.01 0.00 -0.02 0.00 0.00 41.25 40.50 1i81 s ASN 52 CO 0.09 0.13 0.64 0.47 -2.57 0.00 0.00 177.10 175.86 1i81 n ASP 53 N 0.27 -3.67 -4.92 -1.22 8.00 0.11 -1.97 116.55 113.16 1i81 n ASP 53 Ca -0.12 -1.13 -0.27 0.00 0.71 0.00 0.00 54.79 53.97 1i81 n ASP 53 Cb 0.55 -2.62 -0.03 0.00 -0.02 0.00 0.00 41.12 39.00 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 -3.63 3.67 -0.03 2.24 0.00 0.17 -4.49 121.76 119.69 1i81 s ALA 54 Ca 0.37 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1i81 s ALA 54 Cb -0.17 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1i81 s ALA 54 CO 0.91 0.21 -0.01 -1.21 0.00 0.00 0.00 175.76 175.66 1i81 s GLU 55 N -3.70 0.38 -0.06 0.00 2.02 -0.43 -0.51 118.70 116.40 1i81 s GLU 55 Ca 0.42 0.03 -0.18 0.00 0.02 0.00 0.00 54.97 55.27 1i81 s GLU 55 Cb -0.10 -0.52 -0.05 0.00 0.10 0.00 0.00 34.13 33.56 1i81 s GLU 55 CO 0.31 -0.11 0.49 -2.00 0.02 0.00 0.00 175.26 173.97 1i81 s GLU 56 N 0.92 4.23 0.19 1.61 2.12 0.84 -1.90 118.70 126.72 1i81 s GLU 56 Ca -0.10 0.51 0.10 0.00 0.36 0.00 0.00 54.97 55.84 1i81 s GLU 56 Cb -0.13 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1i81 s GLU 56 CO -0.01 0.34 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.41 1i81 s LEU 57 N -0.01 2.82 -0.26 2.70 1.02 0.15 -0.40 118.68 124.71 1i81 s LEU 57 Ca 0.26 -0.68 -0.02 0.00 0.02 0.00 0.00 54.13 53.72 1i81 s LEU 57 Cb -0.16 -1.50 0.14 0.00 0.02 0.00 0.00 46.19 44.68 1i81 s LEU 57 CO 0.13 0.10 0.39 -1.61 0.02 0.00 0.00 176.35 175.38 1i81 s GLU 58 N -2.84 0.37 -1.14 1.70 2.02 -0.12 -2.70 118.70 116.00 1i81 s GLU 58 Ca 0.24 0.45 -0.02 0.00 0.02 0.00 0.00 54.97 55.65 1i81 s GLU 58 Cb -0.08 -0.41 0.00 0.00 0.10 0.00 0.00 34.13 33.74 1i81 s GLU 58 CO 0.14 -0.74 0.97 -0.25 0.02 0.00 0.00 175.26 175.40 1i81 n ASP 59 N 5.36 -3.18 -1.89 -0.19 8.00 -1.26 -2.02 116.55 121.36 1i81 n ASP 59 Ca -0.03 -0.55 -0.19 0.00 0.71 0.00 0.00 54.79 54.74 1i81 n ASP 59 Cb 0.50 -4.73 -0.04 0.00 -0.02 0.00 0.00 41.12 36.84 1i81 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i81 n GLY 60 N -1.34 0.44 2.83 0.44 0.00 -1.26 -4.98 105.19 101.31 1i81 n GLY 60 Ca -0.19 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.44 1.01 0.02 1.61 0.41 -0.86 -5.10 118.70 111.35 1i81 s GLU 61 Ca 0.00 -0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 1i81 s GLU 61 Cb 0.00 -1.35 -0.09 0.00 -1.78 0.00 0.00 34.13 30.92 1i81 s GLU 61 CO 0.00 -0.32 1.97 0.08 -0.49 0.00 0.00 175.26 176.50 1i81 s VAL 62 N 1.84 3.04 -1.05 2.63 1.01 -1.26 -0.94 120.40 125.67 1i81 s VAL 62 Ca 0.04 0.05 0.12 0.00 0.00 0.00 0.00 61.98 62.19 1i81 s VAL 62 Cb -0.13 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1i81 s VAL 62 CO -0.07 -0.01 0.69 0.35 0.00 0.00 0.00 175.10 176.07 1i81 n THR 63 N 5.67 0.00 -3.61 3.92 -2.24 0.47 -4.95 114.28 113.55 1i81 n THR 63 Ca 0.20 -0.36 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1i81 n THR 63 Cb 0.41 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.71 1i81 n THR 63 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1i81 s ARG 64 N -1.60 0.50 -0.10 -0.78 3.52 -1.21 -4.98 118.95 114.31 1i81 s ARG 64 Ca 0.09 0.33 0.03 0.00 -0.13 0.00 0.00 55.73 56.05 1i81 s ARG 64 Cb 0.10 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 1i81 s ARG 64 CO 0.32 -0.12 -0.20 1.03 -0.81 0.00 0.00 175.30 175.52 1i81 s ARG 65 N -0.47 2.66 -0.08 5.12 0.52 -1.26 -0.11 118.95 125.33 1i81 s ARG 65 Ca 0.01 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 1i81 s ARG 65 Cb -0.03 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.38 1i81 s ARG 65 CO -0.03 0.09 -0.10 -0.51 0.02 0.00 0.00 175.30 174.77 1i81 s LEU 66 N 0.55 1.49 0.42 2.53 1.43 0.34 -5.00 118.68 120.44 1i81 s LEU 66 Ca -0.15 -0.28 0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1i81 s LEU 66 Cb -0.17 -0.79 0.91 0.00 0.03 0.00 0.00 46.19 46.17 1i81 s LEU 66 CO 0.05 -0.02 2.00 1.23 0.23 0.00 0.00 176.35 179.84 1i81 h GLY 67 N 7.33 0.26 -5.15 -3.19 0.00 -1.94 0.48 103.07 100.85 1i81 h GLY 67 Ca -0.31 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1i81 h GLY 67 CO 0.46 0.12 -0.11 -1.59 0.00 0.00 0.00 176.54 175.42 1i81 s THR 68 N -4.95 0.00 -0.14 4.70 2.01 -1.26 0.06 115.64 116.06 1i81 s THR 68 Ca -0.06 -0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 1i81 s THR 68 Cb 0.16 -0.72 0.04 0.00 0.01 0.00 0.00 72.50 71.99 1i81 s THR 68 CO 0.72 -0.00 0.39 0.54 -0.69 0.00 0.00 174.62 175.58 1i81 s VAL 69 N 0.26 0.00 -0.25 3.82 0.11 -0.65 -5.00 120.40 118.70 1i81 s VAL 69 Ca -0.00 -0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1i81 s VAL 69 Cb -0.04 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1i81 s VAL 69 CO 0.01 -0.02 0.11 -0.22 -3.33 0.00 0.00 175.10 171.64 1i81 s LEU 70 N 0.06 3.68 -0.16 2.54 2.96 -1.26 -1.47 118.68 125.02 1i81 s LEU 70 Ca -0.01 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1i81 s LEU 70 Cb -0.03 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 1i81 s LEU 70 CO 0.01 -0.01 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.37 1i81 s ILE 71 N 1.50 3.90 0.11 6.68 1.01 0.16 -4.97 121.20 129.59 1i81 s ILE 71 Ca 0.06 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 1i81 s ILE 71 Cb -0.15 -2.72 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 1i81 s ILE 71 CO 0.06 0.48 1.20 -0.13 0.00 0.00 0.00 174.94 176.55 1i81 s ARG 72 N 0.49 4.45 0.48 2.79 0.52 -1.26 -1.44 118.95 124.99 1i81 s ARG 72 Ca -0.03 1.81 0.16 0.00 -0.52 0.00 0.00 55.73 57.15 1i81 s ARG 72 Cb -0.14 -3.31 1.16 0.00 0.52 0.00 0.00 34.95 33.18 1i81 s ARG 72 CO 0.03 -0.20 2.06 0.78 0.02 0.00 0.00 175.30 177.99 1i81 h GLY 73 N 6.27 0.25 2.00 -3.53 0.00 -1.73 -2.86 103.07 103.47 1i81 h GLY 73 Ca -0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1i81 h GLY 73 CO 0.79 0.06 -0.01 -1.80 0.00 0.00 0.00 176.54 175.58 1i81 h ASP 74 N 0.20 0.00 -0.19 0.19 1.82 -1.88 -2.32 116.42 114.24 1i81 h ASP 74 Ca 0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1i81 h ASP 74 Cb 0.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1i81 h ASP 74 CO -0.02 0.01 0.00 0.59 -1.61 0.00 0.00 179.24 178.21 1i81 n ASN 75 N -3.75 2.41 -4.79 2.28 3.02 -1.08 -4.94 115.26 108.42 1i81 n ASN 75 Ca -0.03 -1.81 -0.39 0.00 -0.03 0.00 0.00 54.58 52.32 1i81 n ASN 75 Cb 0.09 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.76 4.59 -0.27 2.41 1.01 -0.88 -0.57 121.20 125.73 1i81 s ILE 76 Ca 0.34 1.46 -0.15 0.00 0.00 0.00 0.00 60.65 62.31 1i81 s ILE 76 Cb 0.20 -4.02 -0.13 0.00 0.01 0.00 0.00 42.46 38.52 1i81 s ILE 76 CO 0.30 0.52 -0.32 0.52 0.00 0.00 0.00 174.94 175.96 1i81 n VAL 77 N 1.82 1.53 -3.51 2.92 0.31 0.17 -4.81 118.33 116.77 1i81 n VAL 77 Ca -0.07 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.77 1i81 n VAL 77 Cb 0.50 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.50 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 -2.50 -0.46 -0.11 3.52 -0.85 -1.06 -5.01 117.35 110.87 1i81 s TYR 78 Ca -0.38 0.38 0.02 0.00 -0.52 0.00 0.00 57.07 56.57 1i81 s TYR 78 Cb 0.14 0.43 0.01 0.00 0.38 0.00 0.00 41.96 42.93 1i81 s TYR 78 CO 0.50 -0.74 -0.17 0.42 -1.52 0.00 0.00 175.55 174.04 1i81 s ILE 79 N -3.11 1.63 -0.30 -3.49 1.01 -1.26 -0.61 121.20 115.08 1i81 s ILE 79 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1i81 s ILE 79 Cb -0.00 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 41.06 1i81 s ILE 79 CO -0.07 0.47 -0.02 -0.55 0.00 0.00 0.00 174.94 174.77 1i81 s SER 80 N 0.89 4.75 0.00 3.58 0.15 0.60 -4.96 113.70 118.72 1i81 s SER 80 Ca -0.08 -1.47 0.05 0.00 0.70 0.00 0.00 55.95 55.15 1i81 s SER 80 Cb -0.15 -1.66 0.29 0.00 -1.71 0.00 0.00 66.02 62.79 1i81 s SER 80 CO -0.01 -0.27 0.76 -2.65 1.20 0.00 0.00 173.24 172.28