#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 4.62 0.12 5.15 1.01 -1.26 -5.06 120.40 124.98 1i81 s VAL 9 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1i81 s VAL 9 Cb 0.00 -3.05 -0.10 0.00 0.00 0.00 0.00 36.38 33.23 1i81 s VAL 9 CO 0.00 0.44 1.70 0.21 0.00 0.00 0.00 175.10 177.46 1i81 s ASN 10 N -1.43 6.51 0.28 3.32 3.84 -1.26 -4.84 114.94 121.36 1i81 s ASN 10 Ca 0.19 2.65 0.11 0.00 0.21 0.00 0.00 52.86 56.03 1i81 s ASN 10 Cb -0.12 -2.57 0.60 0.00 -0.55 0.00 0.00 41.25 38.61 1i81 s ASN 10 CO 0.09 -0.93 1.22 1.33 -2.79 0.00 0.00 177.10 176.03 1i81 n VAL 11 N 4.48 0.69 0.16 -5.21 0.24 -1.26 -0.70 118.33 116.73 1i81 n VAL 11 Ca 0.16 0.71 0.03 0.00 -2.04 0.00 0.00 64.34 63.20 1i81 n VAL 11 Cb 0.39 -1.71 0.03 0.00 -1.47 0.00 0.00 33.84 31.08 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 -1.94 0.47 -3.54 7.34 6.02 -1.26 -4.80 117.38 119.67 1i81 n GLN 12 Ca -0.01 -1.04 -0.27 0.00 -0.01 0.00 0.00 57.00 55.68 1i81 n GLN 12 Cb 0.31 -1.11 -0.10 0.00 1.02 0.00 0.00 30.24 30.36 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 0.25 1.38 -0.01 -1.09 1.74 0.12 -4.94 116.66 114.10 1i81 n ARG 13 Ca 0.04 -3.98 0.23 0.00 -0.77 0.00 0.00 57.85 53.37 1i81 n ARG 13 Cb 0.18 -1.94 0.72 0.00 -1.02 0.00 0.00 32.46 30.41 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 4.94 0.00 0.00 5.56 0.13 -1.87 -0.60 132.00 140.15 1i81 h PRO 14 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1i81 h PRO 14 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1i81 h PRO 14 CO 0.61 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.66 1i81 n LEU 15 N -4.02 0.41 0.12 1.56 4.32 -1.26 -2.07 117.00 116.05 1i81 n LEU 15 Ca 0.11 0.59 0.10 0.00 -0.02 0.00 0.00 56.01 56.79 1i81 n LEU 15 Cb 0.72 -0.52 0.47 0.00 -1.62 0.00 0.00 43.42 42.47 1i81 n LEU 15 CO 0.33 -0.37 0.81 0.47 -1.22 0.00 0.00 177.39 177.41 1i81 n ASP 16 N -1.94 0.53 0.21 -1.43 8.00 -0.23 -0.85 116.55 120.84 1i81 n ASP 16 Ca 0.03 0.66 0.07 0.00 0.71 0.00 0.00 54.79 56.27 1i81 n ASP 16 Cb 0.24 -0.76 0.46 0.00 -0.02 0.00 0.00 41.12 41.03 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 2.20 1.15 0.21 2.24 0.00 -1.62 0.17 119.26 123.62 1i81 h ALA 17 Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 54.91 54.31 1i81 h ALA 17 Cb 0.23 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.00 1i81 h ALA 17 CO 0.00 0.36 -1.58 -0.07 0.00 0.00 0.00 179.25 177.96 1i81 h LEU 18 N 0.00 0.70 -1.09 0.00 3.38 -1.20 -3.14 115.31 113.96 1i81 h LEU 18 Ca -0.00 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 57.09 1i81 h LEU 18 Cb 0.68 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1i81 h LEU 18 CO 0.04 1.73 0.61 1.23 0.09 0.00 0.00 178.44 182.15 1i81 h GLY 19 N 0.36 1.37 2.00 0.83 0.00 -1.06 0.39 103.07 106.96 1i81 h GLY 19 Ca -0.30 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1i81 h GLY 19 CO 0.21 0.37 0.00 0.70 0.00 0.00 0.00 176.54 177.82 1i81 n ASN 20 N -4.46 0.58 -0.71 0.19 3.02 0.55 -3.18 115.26 111.26 1i81 n ASN 20 Ca 0.13 0.64 0.06 0.00 -0.03 0.00 0.00 54.58 55.39 1i81 n ASN 20 Cb 0.14 -0.76 0.16 0.00 -0.61 0.00 0.00 39.78 38.71 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 -2.14 2.98 -4.71 6.41 7.64 0.10 -4.97 113.62 118.93 1i81 n SER 21 Ca 0.02 -1.97 -0.43 0.00 1.01 0.00 0.00 58.87 57.50 1i81 n SER 21 Cb 0.22 -0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.65 3.79 -0.55 -3.43 4.77 -1.07 -0.99 117.00 120.17 1i81 n LEU 22 Ca 0.13 1.15 -0.07 0.00 -0.03 0.00 0.00 56.01 57.18 1i81 n LEU 22 Cb 0.44 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1i81 n LEU 22 CO 0.09 -0.16 -0.07 0.59 -1.33 0.00 0.00 177.39 176.52 1i81 n ASN 23 N 2.07 -4.63 -4.49 -1.43 3.02 0.21 -4.98 115.26 105.05 1i81 n ASN 23 Ca 0.10 0.18 -0.25 0.00 -0.03 0.00 0.00 54.58 54.57 1i81 n ASN 23 Cb 0.34 -2.75 -0.10 0.00 -0.61 0.00 0.00 39.78 36.66 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 -2.49 3.72 0.39 6.41 0.01 -0.16 -4.86 113.70 116.71 1i81 s SER 24 Ca 0.00 -0.87 -0.26 0.00 1.31 0.00 0.00 55.95 56.13 1i81 s SER 24 Cb 0.00 -0.40 -0.09 0.00 0.21 0.00 0.00 66.02 65.74 1i81 s SER 24 CO 0.00 0.07 1.23 -2.84 0.41 0.00 0.00 173.24 172.11 1i81 s PRO 25 N -3.13 4.10 0.05 12.44 0.02 -1.26 -1.80 135.00 145.42 1i81 s PRO 25 Ca 0.26 2.00 -0.05 0.00 0.02 0.00 0.00 61.00 63.22 1i81 s PRO 25 Cb -0.07 -2.79 -0.01 0.00 0.02 0.00 0.00 34.50 31.65 1i81 s PRO 25 CO 0.14 -0.33 0.09 0.14 -0.33 0.00 0.00 177.00 176.71 1i81 s VAL 26 N -1.31 0.15 -0.10 3.83 -7.23 0.28 -4.70 120.40 111.32 1i81 s VAL 26 Ca 0.55 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1i81 s VAL 26 Cb -0.35 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 1i81 s VAL 26 CO 0.44 -0.69 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.80 1i81 s ILE 27 N -3.10 3.26 -0.12 -0.62 1.01 -0.38 -2.18 121.20 119.07 1i81 s ILE 27 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1i81 s ILE 27 Cb 0.02 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1i81 s ILE 27 CO -0.07 0.55 -0.21 -0.63 0.00 0.00 0.00 174.94 174.58 1i81 s ILE 28 N -0.10 2.29 -0.21 2.92 -1.09 0.67 -0.18 121.20 125.50 1i81 s ILE 28 Ca -0.01 -0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 57.45 1i81 s ILE 28 Cb -0.14 -1.91 -0.01 0.00 -1.58 0.00 0.00 42.46 38.82 1i81 s ILE 28 CO 0.03 0.54 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.49 1i81 s LYS 29 N 0.56 3.42 0.27 2.79 2.47 -0.15 -0.73 119.74 128.37 1i81 s LYS 29 Ca -0.12 -0.61 0.06 0.00 -1.56 0.00 0.00 55.97 53.74 1i81 s LYS 29 Cb -0.17 -2.98 -0.03 0.00 -1.46 0.00 0.00 37.83 33.20 1i81 s LYS 29 CO 0.04 -0.11 0.33 -0.51 0.16 0.00 0.00 175.35 175.26 1i81 s LEU 30 N 1.25 4.04 0.24 5.43 1.43 0.52 -0.08 118.68 131.51 1i81 s LEU 30 Ca 0.03 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 1i81 s LEU 30 Cb -0.14 -2.63 -0.10 0.00 0.03 0.00 0.00 46.19 43.35 1i81 s LEU 30 CO -0.01 -0.16 1.47 -0.54 0.23 0.00 0.00 176.35 177.34 1i81 s LYS 31 N -3.98 4.24 0.00 1.70 1.02 0.11 -1.31 119.74 121.53 1i81 s LYS 31 Ca 0.36 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.69 1i81 s LYS 31 Cb -0.08 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1i81 s LYS 31 CO 0.28 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 1i81 n GLY 32 N 2.40 0.64 3.13 -3.33 0.00 -1.26 -4.41 105.19 102.36 1i81 n GLY 32 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 -4.73 1.61 4.64 -0.43 -5.02 116.55 112.62 1i81 n ASP 33 Ca 0.00 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.03 1i81 n ASP 33 Cb 0.00 -0.20 0.05 0.00 -1.04 0.00 0.00 41.12 39.93 1i81 n ASP 33 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 1i81 n ARG 34 N -2.00 1.48 -4.25 -0.67 0.63 -1.23 -4.70 116.66 105.92 1i81 n ARG 34 Ca 0.00 0.55 -0.17 0.00 -0.92 0.00 0.00 57.85 57.31 1i81 n ARG 34 Cb 0.00 -2.54 -0.14 0.00 0.45 0.00 0.00 32.46 30.23 1i81 n ARG 34 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1i81 s GLU 35 N -3.02 0.65 0.09 -0.14 2.12 -1.25 -0.35 118.70 116.79 1i81 s GLU 35 Ca 0.75 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 55.69 1i81 s GLU 35 Cb -0.41 -0.59 -0.03 0.00 0.26 0.00 0.00 34.13 33.36 1i81 s GLU 35 CO 0.46 0.15 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.12 1i81 s PHE 36 N -0.54 1.36 -0.01 5.30 0.08 0.09 -0.80 117.98 123.46 1i81 s PHE 36 Ca 0.00 -0.48 0.01 0.00 0.12 0.00 0.00 56.93 56.58 1i81 s PHE 36 Cb -0.05 -0.74 -0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1i81 s PHE 36 CO 0.00 0.10 -0.05 1.03 -0.10 0.00 0.00 175.22 176.21 1i81 s ARG 37 N -2.05 0.40 0.00 0.44 0.52 -0.34 -0.24 118.95 117.68 1i81 s ARG 37 Ca 0.03 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 1i81 s ARG 37 Cb -0.08 -0.40 0.00 0.00 0.52 0.00 0.00 34.95 34.98 1i81 s ARG 37 CO 0.03 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.84 1i81 n GLY 38 N 3.07 -1.00 3.63 -3.53 0.00 -0.92 -0.03 105.19 106.41 1i81 n GLY 38 Ca -0.14 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 5.09 0.03 1.61 1.01 -0.60 -0.56 120.40 124.98 1i81 s VAL 39 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 1i81 s VAL 39 Cb 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1i81 s VAL 39 CO 0.00 0.12 1.45 -0.22 0.00 0.00 0.00 175.10 176.45 1i81 s LEU 40 N 2.08 4.33 -0.03 3.92 2.96 -0.74 -1.47 118.68 129.73 1i81 s LEU 40 Ca 0.21 2.21 0.05 0.00 -0.22 0.00 0.00 54.13 56.39 1i81 s LEU 40 Cb -0.16 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 1i81 s LEU 40 CO 0.09 -0.74 0.07 0.29 -1.32 0.00 0.00 176.35 174.74 1i81 n LYS 41 N 5.25 1.46 -3.53 1.98 4.76 -0.23 0.67 118.16 128.51 1i81 n LYS 41 Ca 0.13 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 1i81 n LYS 41 Cb 0.43 -1.13 -0.04 0.00 -1.84 0.00 0.00 35.03 32.45 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 -3.05 -0.40 -0.01 4.39 0.15 -1.21 -4.88 113.70 108.69 1i81 s SER 42 Ca -0.02 0.24 -0.28 0.00 0.70 0.00 0.00 55.95 56.59 1i81 s SER 42 Cb 0.03 0.37 0.10 0.00 -1.71 0.00 0.00 66.02 64.80 1i81 s SER 42 CO 0.22 -0.51 0.84 0.72 1.20 0.00 0.00 173.24 175.70 1i81 s PHE 43 N -2.10 -0.42 0.39 3.44 -0.12 -1.26 -1.13 117.98 116.78 1i81 s PHE 43 Ca 0.00 0.42 0.01 0.00 -0.05 0.00 0.00 56.93 57.32 1i81 s PHE 43 Cb -0.01 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1i81 s PHE 43 CO -0.03 -0.56 0.05 -0.40 -0.05 0.00 0.00 175.22 174.22 1i81 n ASP 44 N 0.05 2.39 0.28 1.98 5.68 -0.94 -4.99 116.55 121.01 1i81 n ASP 44 Ca -0.12 -2.81 0.19 0.00 -0.50 0.00 0.00 54.79 51.55 1i81 n ASP 44 Cb 0.61 0.51 0.92 0.00 -1.14 0.00 0.00 41.12 42.02 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 -0.24 -2.12 -0.00 -2.03 -0.85 115.31 110.08 1i81 h LEU 45 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 1i81 h LEU 45 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.69 1i81 h LEU 45 CO 0.51 0.00 -0.17 1.41 -0.00 0.00 0.00 178.44 180.20 1i81 n HIS 46 N -2.93 0.00 -1.12 0.17 8.25 -1.26 -4.90 115.22 113.42 1i81 n HIS 46 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 1i81 n HIS 46 Cb 0.16 -0.20 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.36 -2.15 -0.41 2.81 -0.32 -4.31 117.12 111.37 1i81 n MET 47 Ca 0.12 0.59 -0.38 0.00 -1.81 0.00 0.00 57.70 56.23 1i81 n MET 47 Cb 0.30 -4.25 -0.00 0.00 -0.71 0.00 0.00 33.22 28.56 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 -2.81 6.13 0.11 7.83 0.01 -1.26 -3.71 114.94 121.25 1i81 s ASN 48 Ca 0.00 2.45 -0.18 0.00 -0.71 0.00 0.00 52.86 54.43 1i81 s ASN 48 Cb 0.00 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 39.08 1i81 s ASN 48 CO 0.00 -0.96 0.44 -1.48 -1.51 0.00 0.00 177.10 173.59 1i81 s LEU 49 N -2.87 0.23 -0.08 0.60 0.05 -0.43 -2.22 118.68 113.96 1i81 s LEU 49 Ca 0.62 -0.20 0.03 0.00 0.05 0.00 0.00 54.13 54.63 1i81 s LEU 49 Cb -0.33 1.95 -0.02 0.00 -2.05 0.00 0.00 46.19 45.75 1i81 s LEU 49 CO 0.40 -0.84 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.53 1i81 s VAL 50 N -3.53 2.93 0.06 1.48 1.01 -0.28 -0.04 120.40 122.03 1i81 s VAL 50 Ca 0.01 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1i81 s VAL 50 Cb 0.01 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1i81 s VAL 50 CO -0.10 0.57 -0.23 -0.76 0.00 0.00 0.00 175.10 174.58 1i81 s LEU 51 N -0.29 2.19 0.14 3.92 1.43 -0.24 -1.06 118.68 124.76 1i81 s LEU 51 Ca 0.02 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1i81 s LEU 51 Cb -0.13 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1i81 s LEU 51 CO 0.03 0.18 -0.13 0.20 0.23 0.00 0.00 176.35 176.86 1i81 s ASN 52 N -1.34 4.18 -1.28 2.29 -0.87 -0.54 -1.11 114.94 116.26 1i81 s ASN 52 Ca 0.09 -0.51 -0.06 0.00 -1.57 0.00 0.00 52.86 50.81 1i81 s ASN 52 Cb -0.09 -0.70 -0.01 0.00 -0.02 0.00 0.00 41.25 40.43 1i81 s ASN 52 CO 0.02 0.15 0.65 0.47 -2.57 0.00 0.00 177.10 175.82 1i81 n ASP 53 N 0.50 -2.29 -4.85 -1.22 8.00 0.57 -1.55 116.55 115.70 1i81 n ASP 53 Ca -0.13 -0.93 -0.32 0.00 0.71 0.00 0.00 54.79 54.12 1i81 n ASP 53 Cb 0.53 -3.61 -0.05 0.00 -0.02 0.00 0.00 41.12 37.97 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 -3.69 3.23 -0.05 2.24 0.00 0.02 -4.44 121.76 119.06 1i81 s ALA 54 Ca 0.15 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1i81 s ALA 54 Cb -0.05 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.21 1i81 s ALA 54 CO 0.85 0.15 -0.01 -1.21 0.00 0.00 0.00 175.76 175.53 1i81 s GLU 55 N -3.34 0.56 -0.15 0.00 2.02 0.95 -1.39 118.70 117.35 1i81 s GLU 55 Ca 0.56 0.03 -0.20 0.00 0.02 0.00 0.00 54.97 55.38 1i81 s GLU 55 Cb -0.10 -0.75 -0.03 0.00 0.10 0.00 0.00 34.13 33.35 1i81 s GLU 55 CO 0.21 -0.17 0.56 -2.00 0.02 0.00 0.00 175.26 173.88 1i81 s GLU 56 N 1.29 4.28 0.28 1.61 2.12 0.42 -1.20 118.70 127.51 1i81 s GLU 56 Ca -0.06 0.54 0.10 0.00 0.36 0.00 0.00 54.97 55.91 1i81 s GLU 56 Cb -0.13 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1i81 s GLU 56 CO -0.02 -0.04 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.13 1i81 s LEU 57 N 1.25 3.10 -0.29 2.70 1.02 0.02 -0.13 118.68 126.35 1i81 s LEU 57 Ca 0.28 -0.75 -0.14 0.00 0.02 0.00 0.00 54.13 53.53 1i81 s LEU 57 Cb -0.16 -1.59 0.10 0.00 0.02 0.00 0.00 46.19 44.56 1i81 s LEU 57 CO 0.11 -0.05 0.70 -1.61 0.02 0.00 0.00 176.35 175.52 1i81 s GLU 58 N -3.67 0.65 -1.13 1.70 2.02 -0.18 -3.91 118.70 114.17 1i81 s GLU 58 Ca 0.32 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.57 1i81 s GLU 58 Cb -0.05 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.53 1i81 s GLU 58 CO 0.19 -0.16 0.00 -0.25 0.02 0.00 0.00 175.26 175.06 1i81 n ASP 59 N 4.63 -4.05 0.00 -0.19 8.00 -1.26 0.86 116.55 124.54 1i81 n ASP 59 Ca -0.17 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1i81 n ASP 59 Cb 0.56 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 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 -0.80 0.73 3.69 0.44 0.00 -1.26 -5.01 105.19 102.98 1i81 n GLY 60 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.08 3.49 -0.54 1.61 0.41 0.25 -5.06 118.70 118.78 1i81 s GLU 61 Ca 0.00 -0.34 -0.28 0.00 -0.41 0.00 0.00 54.97 53.94 1i81 s GLU 61 Cb 0.00 -3.03 0.02 0.00 -1.78 0.00 0.00 34.13 29.34 1i81 s GLU 61 CO 0.00 0.52 1.33 0.08 -0.49 0.00 0.00 175.26 176.70 1i81 s VAL 62 N -0.35 3.90 -1.41 2.63 1.01 -1.26 -1.02 120.40 123.90 1i81 s VAL 62 Ca 0.08 0.82 0.27 0.00 0.00 0.00 0.00 61.98 63.15 1i81 s VAL 62 Cb -0.12 -4.50 0.21 0.00 0.00 0.00 0.00 36.38 31.97 1i81 s VAL 62 CO 0.02 -1.15 1.60 0.35 0.00 0.00 0.00 175.10 175.92 1i81 n THR 63 N 6.84 0.00 -3.62 3.92 -2.24 0.82 -4.93 114.28 115.06 1i81 n THR 63 Ca 0.12 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 1i81 n THR 63 Cb 0.49 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.71 0.30 0.01 -0.78 3.52 -1.19 -4.97 118.95 113.14 1i81 s ARG 64 Ca 0.20 0.13 0.07 0.00 -0.13 0.00 0.00 55.73 56.00 1i81 s ARG 64 Cb 0.19 0.14 -0.02 0.00 -1.56 0.00 0.00 34.95 33.70 1i81 s ARG 64 CO 0.57 -0.08 -0.21 1.03 -0.81 0.00 0.00 175.30 175.81 1i81 s ARG 65 N -0.76 1.52 -0.04 5.12 0.52 -1.26 -0.44 118.95 123.61 1i81 s ARG 65 Ca 0.04 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1i81 s ARG 65 Cb -0.02 -1.55 0.03 0.00 0.52 0.00 0.00 34.95 33.93 1i81 s ARG 65 CO -0.05 0.41 0.01 -0.51 0.02 0.00 0.00 175.30 175.18 1i81 s LEU 66 N -0.84 0.80 0.29 2.53 1.43 -0.49 -5.00 118.68 117.41 1i81 s LEU 66 Ca 0.08 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1i81 s LEU 66 Cb -0.08 -0.25 0.61 0.00 0.03 0.00 0.00 46.19 46.50 1i81 s LEU 66 CO 0.01 -0.16 1.82 1.23 0.23 0.00 0.00 176.35 179.48 1i81 h GLY 67 N 7.77 1.67 -4.54 -3.19 0.00 -1.93 0.10 103.07 102.94 1i81 h GLY 67 Ca -0.30 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 1i81 h GLY 67 CO 0.35 0.10 -0.12 -1.08 0.00 0.00 0.00 176.54 175.79 1i81 s THR 68 N -5.92 0.03 -0.12 4.70 -1.32 -1.26 -0.31 115.64 111.43 1i81 s THR 68 Ca -0.12 -0.23 -0.16 0.00 -1.21 0.00 0.00 61.69 59.97 1i81 s THR 68 Cb 0.23 -0.73 0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1i81 s THR 68 CO 0.81 -0.13 0.42 0.54 -2.21 0.00 0.00 174.62 174.05 1i81 s VAL 69 N -0.90 0.01 -0.25 5.08 0.11 -0.27 -4.99 120.40 119.18 1i81 s VAL 69 Ca -0.10 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1i81 s VAL 69 Cb -0.03 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1i81 s VAL 69 CO 0.05 -0.05 0.09 -0.22 -3.33 0.00 0.00 175.10 171.63 1i81 s LEU 70 N -0.18 3.52 -0.15 2.54 2.96 -1.26 -1.08 118.68 125.03 1i81 s LEU 70 Ca -0.04 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1i81 s LEU 70 Cb -0.03 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1i81 s LEU 70 CO 0.02 -0.04 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.37 1i81 s ILE 71 N 1.63 4.17 -0.07 6.68 1.01 0.95 -4.96 121.20 130.61 1i81 s ILE 71 Ca 0.06 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 1i81 s ILE 71 Cb -0.15 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1i81 s ILE 71 CO 0.05 0.50 1.14 -0.60 0.00 0.00 0.00 174.94 176.03 1i81 s ARG 72 N 0.17 4.37 0.40 2.79 3.52 -1.26 -1.32 118.95 127.62 1i81 s ARG 72 Ca 0.00 1.58 0.08 0.00 -0.13 0.00 0.00 55.73 57.27 1i81 s ARG 72 Cb -0.13 -3.55 0.86 0.00 -1.56 0.00 0.00 34.95 30.56 1i81 s ARG 72 CO 0.02 -0.41 2.00 0.78 -0.81 0.00 0.00 175.30 176.88 1i81 h GLY 73 N 8.13 0.73 2.00 8.12 0.00 -1.75 -2.92 103.07 117.37 1i81 h GLY 73 Ca -0.33 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1i81 h GLY 73 CO 0.87 0.19 0.00 -1.80 0.00 0.00 0.00 176.54 175.80 1i81 h ASP 74 N 0.60 0.00 0.13 0.19 3.58 -1.89 -1.34 116.42 117.69 1i81 h ASP 74 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1i81 h ASP 74 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1i81 h ASP 74 CO -0.07 0.00 -0.26 0.59 -2.88 0.00 0.00 179.24 176.62 1i81 n ASN 75 N -2.83 1.42 -4.75 2.28 3.02 -1.10 -4.95 115.26 108.36 1i81 n ASN 75 Ca -0.03 -1.18 -0.40 0.00 -0.03 0.00 0.00 54.58 52.95 1i81 n ASN 75 Cb 0.06 0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.40 4.51 -0.22 2.41 1.01 -0.51 0.09 121.20 126.09 1i81 s ILE 76 Ca 0.25 1.85 -0.17 0.00 0.00 0.00 0.00 60.65 62.59 1i81 s ILE 76 Cb 0.19 -4.22 -0.12 0.00 0.01 0.00 0.00 42.46 38.32 1i81 s ILE 76 CO 0.49 0.39 -0.12 0.52 0.00 0.00 0.00 174.94 176.22 1i81 n VAL 77 N 2.42 1.51 -3.71 2.92 0.31 0.88 -4.80 118.33 117.86 1i81 n VAL 77 Ca -0.01 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.13 1i81 n VAL 77 Cb 0.49 -2.08 -0.04 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.47 -0.14 -0.04 3.52 -0.85 -1.03 -5.02 117.35 111.32 1i81 s TYR 78 Ca -0.30 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.08 1i81 s TYR 78 Cb 0.08 0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.82 1i81 s TYR 78 CO 0.48 -0.89 -0.08 0.42 -1.52 0.00 0.00 175.55 173.96 1i81 s ILE 79 N -3.86 0.73 -0.24 -3.49 1.01 -1.26 -0.97 121.20 113.11 1i81 s ILE 79 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1i81 s ILE 79 Cb -0.01 -0.68 0.06 0.00 0.01 0.00 0.00 42.46 41.84 1i81 s ILE 79 CO -0.04 0.25 -0.06 -0.55 0.00 0.00 0.00 174.94 174.54 1i81 s SER 80 N 0.47 3.97 0.00 3.58 0.15 0.75 -4.96 113.70 117.66 1i81 s SER 80 Ca -0.07 -1.24 0.17 0.00 0.70 0.00 0.00 55.95 55.50 1i81 s SER 80 Cb -0.11 -1.24 1.00 0.00 -1.71 0.00 0.00 66.02 63.96 1i81 s SER 80 CO 0.01 -0.24 1.41 -2.65 1.20 0.00 0.00 173.24 172.97