#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i81 s ARG 13 N 0.00 0.66 0.47 -1.09 0.52 -1.26 -5.01 118.95 113.24 1i81 s ARG 13 Ca 0.00 -0.74 0.20 0.00 -0.52 0.00 0.00 55.73 54.67 1i81 s ARG 13 Cb 0.00 -0.58 1.15 0.00 0.52 0.00 0.00 34.95 36.03 1i81 s ARG 13 CO 0.00 -1.19 1.99 -1.35 0.02 0.00 0.00 175.30 174.77 1i81 h PRO 14 N 7.09 0.00 0.00 3.54 0.11 -2.06 -2.75 132.00 137.93 1i81 h PRO 14 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1i81 h PRO 14 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1i81 h PRO 14 CO 0.19 0.19 0.00 -0.07 -0.21 0.00 0.00 178.00 178.10 1i81 h LEU 15 N 0.00 0.00 -0.87 2.35 3.38 -2.00 -0.49 115.31 117.69 1i81 h LEU 15 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1i81 h LEU 15 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1i81 h LEU 15 CO 0.02 0.00 -0.21 0.44 0.09 0.00 0.00 178.44 178.78 1i81 h ASP 16 N 0.00 0.60 -1.01 -0.43 3.32 -1.93 -2.39 116.42 114.59 1i81 h ASP 16 Ca 0.00 -0.20 0.24 0.00 0.02 0.00 0.00 57.03 57.09 1i81 h ASP 16 Cb 0.01 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.30 1i81 h ASP 16 CO 0.00 0.81 0.64 0.00 -1.72 0.00 0.00 179.24 178.98 1i81 h ALA 17 N 1.24 2.12 -0.12 3.45 0.00 -1.28 0.44 119.26 125.10 1i81 h ALA 17 Ca 0.08 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1i81 h ALA 17 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1i81 h ALA 17 CO 0.05 -0.50 -0.60 -0.07 0.00 0.00 0.00 179.25 178.13 1i81 h LEU 18 N 0.46 0.74 -1.08 0.00 3.38 -1.57 -3.17 115.31 114.07 1i81 h LEU 18 Ca 0.57 -0.64 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1i81 h LEU 18 Cb 1.34 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1i81 h LEU 18 CO -0.30 1.26 0.62 1.23 0.09 0.00 0.00 178.44 181.34 1i81 h GLY 19 N 0.27 1.46 1.56 0.83 0.00 0.01 0.13 103.07 107.34 1i81 h GLY 19 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1i81 h GLY 19 CO 0.12 0.27 0.00 0.70 0.00 0.00 0.00 176.54 177.63 1i81 n ASN 20 N -4.53 0.00 -0.53 0.19 3.02 0.16 -2.68 115.26 110.90 1i81 n ASN 20 Ca 0.16 0.01 0.06 0.00 -0.03 0.00 0.00 54.58 54.78 1i81 n ASN 20 Cb 0.24 -0.28 0.07 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.28 2.21 -4.64 6.41 7.64 0.43 -5.00 113.62 119.38 1i81 n SER 21 Ca 0.09 -1.60 -0.45 0.00 1.01 0.00 0.00 58.87 57.92 1i81 n SER 21 Cb 0.15 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.68 2.63 -0.46 -3.43 4.77 -1.07 -0.95 117.00 119.17 1i81 n LEU 22 Ca 0.08 1.17 -0.06 0.00 -0.03 0.00 0.00 56.01 57.17 1i81 n LEU 22 Cb 0.33 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 1i81 n LEU 22 CO 0.08 -0.86 -0.06 0.59 -1.33 0.00 0.00 177.39 175.81 1i81 n ASN 23 N 1.50 -4.67 -4.42 -1.43 3.02 0.33 -4.97 115.26 104.61 1i81 n ASN 23 Ca 0.10 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.53 1i81 n ASN 23 Cb 0.32 -2.70 -0.12 0.00 -0.61 0.00 0.00 39.78 36.67 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 -2.41 3.44 0.12 6.41 0.01 -0.13 -4.86 113.70 116.28 1i81 s SER 24 Ca 0.00 -0.87 -0.31 0.00 1.31 0.00 0.00 55.95 56.08 1i81 s SER 24 Cb 0.00 -0.26 -0.08 0.00 0.21 0.00 0.00 66.02 65.90 1i81 s SER 24 CO 0.00 0.12 1.36 -2.84 0.41 0.00 0.00 173.24 172.29 1i81 s PRO 25 N -2.69 4.34 0.23 12.44 0.02 -1.26 -1.70 135.00 146.37 1i81 s PRO 25 Ca 0.21 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.29 1i81 s PRO 25 Cb -0.08 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 1i81 s PRO 25 CO 0.10 -0.40 0.06 0.14 -0.33 0.00 0.00 177.00 176.57 1i81 s VAL 26 N 0.98 0.65 -0.16 3.83 -7.23 0.09 -4.80 120.40 113.77 1i81 s VAL 26 Ca 0.63 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 1i81 s VAL 26 Cb -0.36 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1i81 s VAL 26 CO 0.31 -0.19 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.12 1i81 s ILE 27 N -3.69 2.51 -0.26 -0.62 1.01 -0.11 -2.72 121.20 117.32 1i81 s ILE 27 Ca 0.32 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1i81 s ILE 27 Cb 0.07 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1i81 s ILE 27 CO 0.10 0.52 -0.01 -0.63 0.00 0.00 0.00 174.94 174.92 1i81 s ILE 28 N 0.89 3.38 -0.29 2.92 -1.09 0.12 -1.07 121.20 126.05 1i81 s ILE 28 Ca -0.04 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.50 1i81 s ILE 28 Cb -0.15 -2.69 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 1i81 s ILE 28 CO -0.02 0.21 0.16 -0.75 -1.23 0.00 0.00 174.94 173.31 1i81 s LYS 29 N 1.42 3.58 0.45 2.79 2.47 -0.64 -0.39 119.74 129.43 1i81 s LYS 29 Ca 0.02 -0.56 0.08 0.00 -1.56 0.00 0.00 55.97 53.96 1i81 s LYS 29 Cb -0.16 -3.57 0.02 0.00 -1.46 0.00 0.00 37.83 32.65 1i81 s LYS 29 CO -0.02 -0.31 0.59 -0.51 0.16 0.00 0.00 175.35 175.26 1i81 s LEU 30 N 1.67 3.52 0.72 5.43 1.43 0.72 -0.18 118.68 131.98 1i81 s LEU 30 Ca 0.06 -0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 1i81 s LEU 30 Cb -0.16 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1i81 s LEU 30 CO 0.07 -0.86 1.11 -0.54 0.23 0.00 0.00 176.35 176.37 1i81 s LYS 31 N -4.38 2.44 0.00 1.70 1.02 -0.05 -3.17 119.74 117.30 1i81 s LYS 31 Ca 0.55 1.36 0.00 0.00 0.02 0.00 0.00 55.97 57.90 1i81 s LYS 31 Cb -0.08 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1i81 s LYS 31 CO 0.33 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.65 1i81 n GLY 32 N -0.63 0.55 2.30 -3.33 0.00 -1.26 -3.68 105.19 99.15 1i81 n GLY 32 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.26 -4.80 1.61 2.03 -1.19 -5.01 116.55 104.93 1i81 n ASP 33 Ca 0.00 0.26 -0.38 0.00 0.52 0.00 0.00 54.79 55.19 1i81 n ASP 33 Cb 0.00 -2.69 -0.06 0.00 -0.72 0.00 0.00 41.12 37.65 1i81 n ASP 33 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1i81 s ARG 34 N -2.91 4.35 -0.01 -0.67 3.52 -1.22 -4.93 118.95 117.09 1i81 s ARG 34 Ca 0.00 0.95 0.03 0.00 -0.13 0.00 0.00 55.73 56.58 1i81 s ARG 34 Cb 0.00 -3.06 -0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1i81 s ARG 34 CO 0.00 0.49 -0.10 -2.00 -0.81 0.00 0.00 175.30 172.89 1i81 s GLU 35 N -1.56 0.84 0.06 5.12 2.12 -1.25 -0.20 118.70 123.83 1i81 s GLU 35 Ca 0.38 -0.33 0.07 0.00 0.36 0.00 0.00 54.97 55.45 1i81 s GLU 35 Cb -0.19 -0.81 -0.03 0.00 0.26 0.00 0.00 34.13 33.36 1i81 s GLU 35 CO 0.22 0.18 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.88 1i81 s PHE 36 N -0.10 1.63 -0.03 5.30 0.08 0.48 -1.88 117.98 123.46 1i81 s PHE 36 Ca 0.02 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.69 1i81 s PHE 36 Cb -0.05 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.47 1i81 s PHE 36 CO -0.00 0.10 -0.02 1.03 -0.10 0.00 0.00 175.22 176.23 1i81 s ARG 37 N -1.34 0.48 0.00 0.44 0.52 0.14 0.10 118.95 119.29 1i81 s ARG 37 Ca 0.05 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 1i81 s ARG 37 Cb -0.09 -0.56 0.00 0.00 0.52 0.00 0.00 34.95 34.82 1i81 s ARG 37 CO 0.02 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1i81 n GLY 38 N 3.87 0.91 3.51 -3.53 0.00 -1.10 0.89 105.19 109.73 1i81 n GLY 38 Ca -0.24 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.31 5.24 -0.04 1.61 1.01 -0.60 -0.73 120.40 124.59 1i81 s VAL 39 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 61.98 61.32 1i81 s VAL 39 Cb 0.00 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 1i81 s VAL 39 CO 0.00 -0.07 1.87 -0.11 0.00 0.00 0.00 175.10 176.79 1i81 n LEU 40 N 5.11 3.56 -0.01 3.92 7.94 -0.69 -1.92 117.00 134.90 1i81 n LEU 40 Ca -0.12 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.75 1i81 n LEU 40 Cb 0.49 -1.41 -0.04 0.00 0.53 0.00 0.00 43.42 42.99 1i81 n LEU 40 CO 0.37 -0.02 -0.61 0.29 -1.11 0.00 0.00 177.39 176.31 1i81 n LYS 41 N 6.48 1.54 -3.53 1.96 4.76 0.14 0.12 118.16 129.63 1i81 n LYS 41 Ca 0.22 -0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1i81 n LYS 41 Cb 0.31 -1.13 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 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 -3.07 -0.36 -0.12 4.39 0.15 -1.18 -4.88 113.70 108.62 1i81 s SER 42 Ca -0.02 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.49 1i81 s SER 42 Cb 0.03 0.35 0.12 0.00 -1.71 0.00 0.00 66.02 64.80 1i81 s SER 42 CO 0.22 -0.50 0.95 0.72 1.20 0.00 0.00 173.24 175.82 1i81 s PHE 43 N -2.31 -0.40 0.26 3.44 -0.12 -1.26 -0.36 117.98 117.22 1i81 s PHE 43 Ca 0.02 0.62 0.01 0.00 -0.05 0.00 0.00 56.93 57.53 1i81 s PHE 43 Cb -0.01 0.46 0.01 0.00 -0.63 0.00 0.00 43.02 42.85 1i81 s PHE 43 CO -0.04 -0.40 0.06 -0.40 -0.05 0.00 0.00 175.22 174.38 1i81 n ASP 44 N 0.59 2.45 0.13 1.98 5.68 -0.28 -4.96 116.55 122.15 1i81 n ASP 44 Ca -0.11 -2.05 0.03 0.00 -0.50 0.00 0.00 54.79 52.16 1i81 n ASP 44 Cb 0.58 0.12 0.41 0.00 -1.14 0.00 0.00 41.12 41.09 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 0.19 0.00 -2.12 -0.00 -2.02 -0.77 115.31 110.59 1i81 h LEU 45 Ca -0.20 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1i81 h LEU 45 Cb 0.63 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1i81 h LEU 45 CO 0.32 0.35 0.00 1.41 -0.00 0.00 0.00 178.44 180.52 1i81 n HIS 46 N -4.28 0.00 -1.09 0.17 8.25 -1.26 -4.85 115.22 112.15 1i81 n HIS 46 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1i81 n HIS 46 Cb 0.26 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.14 -0.37 -2.23 -0.41 2.81 -0.30 -4.06 117.12 111.42 1i81 n MET 47 Ca 0.15 0.49 -0.41 0.00 -1.81 0.00 0.00 57.70 56.12 1i81 n MET 47 Cb 0.14 -4.08 -0.03 0.00 -0.71 0.00 0.00 33.22 28.54 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 -2.65 6.92 0.07 7.83 0.01 -1.26 -3.56 114.94 122.30 1i81 s ASN 48 Ca 0.00 2.44 -0.06 0.00 -0.71 0.00 0.00 52.86 54.53 1i81 s ASN 48 Cb 0.00 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1i81 s ASN 48 CO 0.00 -0.48 0.11 -1.48 -1.51 0.00 0.00 177.10 173.74 1i81 s LEU 49 N -0.60 1.78 -0.11 0.60 0.05 -0.18 -1.12 118.68 119.10 1i81 s LEU 49 Ca 0.54 -0.72 0.01 0.00 0.05 0.00 0.00 54.13 54.00 1i81 s LEU 49 Cb -0.36 0.73 -0.02 0.00 -2.05 0.00 0.00 46.19 44.49 1i81 s LEU 49 CO 0.41 -0.65 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.74 1i81 s VAL 50 N -3.64 3.06 0.07 1.48 1.01 0.51 -0.27 120.40 122.62 1i81 s VAL 50 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1i81 s VAL 50 Cb 0.05 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 1i81 s VAL 50 CO -0.10 0.54 -0.24 -0.76 0.00 0.00 0.00 175.10 174.55 1i81 s LEU 51 N 0.14 2.38 0.07 3.92 1.43 -0.23 -0.69 118.68 125.70 1i81 s LEU 51 Ca -0.07 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 1i81 s LEU 51 Cb -0.15 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1i81 s LEU 51 CO 0.05 0.23 -0.12 0.20 0.23 0.00 0.00 176.35 176.93 1i81 s ASN 52 N -1.61 4.25 -1.48 2.29 -0.87 -0.81 -1.42 114.94 115.29 1i81 s ASN 52 Ca 0.14 -0.37 -0.11 0.00 -1.57 0.00 0.00 52.86 50.95 1i81 s ASN 52 Cb -0.10 -0.80 0.07 0.00 -0.02 0.00 0.00 41.25 40.39 1i81 s ASN 52 CO 0.05 0.21 0.92 0.47 -2.57 0.00 0.00 177.10 176.18 1i81 n ASP 53 N 1.06 -4.01 -4.77 -1.22 8.00 -0.24 -1.55 116.55 113.83 1i81 n ASP 53 Ca -0.15 -0.79 -0.38 0.00 0.71 0.00 0.00 54.79 54.18 1i81 n ASP 53 Cb 0.52 -3.91 -0.04 0.00 -0.02 0.00 0.00 41.12 37.67 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 -3.39 3.22 -0.07 2.24 0.00 0.47 -4.55 121.76 119.67 1i81 s ALA 54 Ca 0.52 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.33 1i81 s ALA 54 Cb -0.26 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1i81 s ALA 54 CO 0.83 -0.27 -0.11 -1.21 0.00 0.00 0.00 175.76 175.00 1i81 s GLU 55 N -2.07 1.55 -0.11 0.00 2.02 0.26 -0.49 118.70 119.85 1i81 s GLU 55 Ca 0.53 -0.35 -0.07 0.00 0.02 0.00 0.00 54.97 55.09 1i81 s GLU 55 Cb -0.28 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 1i81 s GLU 55 CO 0.35 -0.01 0.15 -2.00 0.02 0.00 0.00 175.26 173.77 1i81 s GLU 56 N 0.78 3.46 0.02 1.61 2.12 -0.20 -0.68 118.70 125.82 1i81 s GLU 56 Ca -0.13 -0.11 -0.08 0.00 0.36 0.00 0.00 54.97 55.01 1i81 s GLU 56 Cb -0.15 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1i81 s GLU 56 CO 0.02 0.77 0.16 -0.48 -0.54 0.00 0.00 175.26 175.20 1i81 s LEU 57 N -1.06 1.49 -0.00 2.70 2.34 -0.79 0.64 118.68 124.00 1i81 s LEU 57 Ca 0.16 -0.32 0.02 0.00 0.06 0.00 0.00 54.13 54.04 1i81 s LEU 57 Cb -0.12 0.80 -0.01 0.00 -0.56 0.00 0.00 46.19 46.31 1i81 s LEU 57 CO 0.05 -0.48 -0.06 -1.61 -1.06 0.00 0.00 176.35 173.19 1i81 s GLU 58 N -2.09 0.45 -1.49 1.48 2.02 0.17 -3.88 118.70 115.35 1i81 s GLU 58 Ca -0.09 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1i81 s GLU 58 Cb -0.04 -0.43 0.00 0.00 0.10 0.00 0.00 34.13 33.76 1i81 s GLU 58 CO -0.02 0.12 0.00 -0.25 0.02 0.00 0.00 175.26 175.13 1i81 n ASP 59 N 2.87 -4.40 0.00 -0.19 8.00 -1.26 -0.80 116.55 120.77 1i81 n ASP 59 Ca -0.13 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1i81 n ASP 59 Cb 0.58 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 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 -0.60 2.48 3.71 0.44 0.00 -1.26 -5.01 105.19 104.96 1i81 n GLY 60 Ca -0.17 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 4.41 0.10 1.61 0.41 0.02 -4.94 118.70 120.31 1i81 s GLU 61 Ca 0.00 1.82 -0.31 0.00 -0.41 0.00 0.00 54.97 56.07 1i81 s GLU 61 Cb 0.00 -3.33 -0.09 0.00 -1.78 0.00 0.00 34.13 28.94 1i81 s GLU 61 CO 0.00 -0.29 1.58 0.08 -0.49 0.00 0.00 175.26 176.14 1i81 s VAL 62 N 1.06 3.00 -0.15 2.63 1.01 -1.26 -0.66 120.40 126.03 1i81 s VAL 62 Ca 0.60 0.58 0.03 0.00 0.00 0.00 0.00 61.98 63.18 1i81 s VAL 62 Cb -0.31 -3.37 -0.23 0.00 0.00 0.00 0.00 36.38 32.47 1i81 s VAL 62 CO 0.29 0.02 0.23 0.41 0.00 0.00 0.00 175.10 176.05 1i81 n THR 63 N 4.41 1.62 -3.59 3.92 -1.04 0.21 -4.90 114.28 114.90 1i81 n THR 63 Ca 0.15 -0.69 -0.11 0.00 -2.04 0.00 0.00 64.05 61.36 1i81 n THR 63 Cb 0.40 -1.33 -0.04 0.00 -1.82 0.00 0.00 70.33 67.55 1i81 n THR 63 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1i81 s ARG 64 N -2.55 1.20 0.02 -2.82 3.52 -1.12 -5.01 118.95 112.18 1i81 s ARG 64 Ca -0.20 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 54.79 1i81 s ARG 64 Cb 0.07 0.52 -0.02 0.00 -1.56 0.00 0.00 34.95 33.96 1i81 s ARG 64 CO 0.75 -0.50 -0.21 1.03 -0.81 0.00 0.00 175.30 175.56 1i81 s ARG 65 N -3.80 1.55 -0.07 5.12 0.52 -1.26 -1.03 118.95 119.98 1i81 s ARG 65 Ca 0.04 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1i81 s ARG 65 Cb 0.00 -1.58 0.03 0.00 0.52 0.00 0.00 34.95 33.92 1i81 s ARG 65 CO -0.10 0.42 -0.00 -0.51 0.02 0.00 0.00 175.30 175.13 1i81 s LEU 66 N -0.85 0.66 0.56 2.53 1.02 0.35 -5.01 118.68 117.94 1i81 s LEU 66 Ca 0.08 -0.08 0.25 0.00 0.02 0.00 0.00 54.13 54.40 1i81 s LEU 66 Cb -0.08 -0.42 1.54 0.00 0.02 0.00 0.00 46.19 47.24 1i81 s LEU 66 CO 0.01 -0.18 2.12 1.23 0.02 0.00 0.00 176.35 179.55 1i81 h GLY 67 N 8.20 0.00 -5.15 -3.19 0.00 -1.94 0.13 103.07 101.12 1i81 h GLY 67 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1i81 h GLY 67 CO 0.28 0.00 0.23 -1.59 0.00 0.00 0.00 176.54 175.46 1i81 s THR 68 N -4.82 0.00 -0.07 4.70 2.01 -1.26 -1.08 115.64 115.12 1i81 s THR 68 Ca -0.05 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 1i81 s THR 68 Cb 0.16 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.70 1i81 s THR 68 CO 0.61 0.00 0.23 0.54 -0.69 0.00 0.00 174.62 175.32 1i81 s VAL 69 N 0.47 0.01 -0.27 3.82 0.11 -0.51 -4.99 120.40 119.05 1i81 s VAL 69 Ca -0.00 -0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 58.86 1i81 s VAL 69 Cb -0.05 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1i81 s VAL 69 CO -0.03 -0.06 0.08 -0.22 -3.33 0.00 0.00 175.10 171.54 1i81 s LEU 70 N -0.16 3.62 -0.18 2.54 2.96 -1.26 -1.07 118.68 125.13 1i81 s LEU 70 Ca -0.03 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1i81 s LEU 70 Cb -0.03 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1i81 s LEU 70 CO 0.01 -0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.33 1i81 s ILE 71 N 1.59 4.26 0.10 6.68 1.01 0.63 -4.97 121.20 130.50 1i81 s ILE 71 Ca 0.05 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1i81 s ILE 71 Cb -0.16 -2.90 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 1i81 s ILE 71 CO 0.04 0.46 1.11 -0.13 0.00 0.00 0.00 174.94 176.42 1i81 s ARG 72 N 0.50 4.54 0.29 2.79 0.52 -1.26 -1.01 118.95 125.32 1i81 s ARG 72 Ca -0.00 1.67 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 1i81 s ARG 72 Cb -0.14 -3.34 0.51 0.00 0.52 0.00 0.00 34.95 32.51 1i81 s ARG 72 CO 0.02 -0.06 1.90 0.78 0.02 0.00 0.00 175.30 177.96 1i81 h GLY 73 N 6.02 1.39 1.75 -3.53 0.00 -1.70 -2.83 103.07 104.17 1i81 h GLY 73 Ca -0.43 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1i81 h GLY 73 CO 0.76 0.30 0.08 1.34 0.00 0.00 0.00 176.54 179.02 1i81 n ASP 74 N -4.50 0.36 -0.04 0.19 -0.08 -1.26 -0.72 116.55 110.50 1i81 n ASP 74 Ca 0.15 0.63 0.11 0.00 -1.51 0.00 0.00 54.79 54.16 1i81 n ASP 74 Cb 0.21 -0.65 0.03 0.00 2.34 0.00 0.00 41.12 43.05 1i81 n ASP 74 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1i81 n ASN 75 N -1.99 0.91 -4.74 1.67 3.02 -1.07 -4.96 115.26 108.10 1i81 n ASN 75 Ca -0.01 -0.79 -0.41 0.00 -0.03 0.00 0.00 54.58 53.35 1i81 n ASN 75 Cb 0.11 0.69 -0.04 0.00 -0.61 0.00 0.00 39.78 39.92 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 -2.95 4.11 -0.26 2.41 1.01 0.10 -0.87 121.20 124.76 1i81 s ILE 76 Ca 0.10 1.85 -0.14 0.00 0.00 0.00 0.00 60.65 62.46 1i81 s ILE 76 Cb 0.17 -4.18 -0.14 0.00 0.01 0.00 0.00 42.46 38.31 1i81 s ILE 76 CO 0.78 0.33 -0.20 0.52 0.00 0.00 0.00 174.94 176.37 1i81 n VAL 77 N 2.33 1.53 -3.44 2.92 0.31 0.74 -4.84 118.33 117.88 1i81 n VAL 77 Ca 0.02 -0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 63.91 1i81 n VAL 77 Cb 0.47 -1.88 -0.02 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 -2.48 -0.51 -0.13 3.52 -0.85 -1.06 -5.03 117.35 110.81 1i81 s TYR 78 Ca -0.36 0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1i81 s TYR 78 Cb 0.12 0.56 0.02 0.00 0.38 0.00 0.00 41.96 43.05 1i81 s TYR 78 CO 0.53 -0.83 -0.11 0.42 -1.52 0.00 0.00 175.55 174.03 1i81 s ILE 79 N -3.70 1.31 -0.26 -3.49 1.01 -1.26 -1.61 121.20 113.20 1i81 s ILE 79 Ca 0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1i81 s ILE 79 Cb -0.01 -1.26 0.04 0.00 0.01 0.00 0.00 42.46 41.24 1i81 s ILE 79 CO -0.12 0.41 -0.07 -0.55 0.00 0.00 0.00 174.94 174.61 1i81 s SER 80 N 1.52 4.40 0.00 3.58 0.15 -0.23 -4.97 113.70 118.14 1i81 s SER 80 Ca 0.03 -1.11 0.23 0.00 0.70 0.00 0.00 55.95 55.80 1i81 s SER 80 Cb -0.13 -1.63 1.35 0.00 -1.71 0.00 0.00 66.02 63.90 1i81 s SER 80 CO -0.08 -0.17 1.72 -0.81 1.20 0.00 0.00 173.24 175.10