#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g91 n ASP 2 N 0.00 5.49 -4.33 7.83 8.00 -1.26 -4.98 116.55 127.30 1g91 n ASP 2 Ca 0.00 -3.57 -0.46 0.00 0.71 0.00 0.00 54.79 51.47 1g91 n ASP 2 Cb 0.00 -0.90 -0.05 0.00 -0.02 0.00 0.00 41.12 40.15 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1g91 s ARG 3 N -3.30 3.00 -0.49 -1.24 3.52 -1.26 -4.91 118.95 114.27 1g91 s ARG 3 Ca 0.40 -1.60 0.04 0.00 -0.13 0.00 0.00 55.73 54.44 1g91 s ARG 3 Cb 0.17 -4.29 0.41 0.00 -1.56 0.00 0.00 34.95 29.69 1g91 s ARG 3 CO -0.05 -1.37 1.21 1.97 -0.81 0.00 0.00 175.30 176.25 1g91 n PHE 4 N 5.51 3.37 -3.48 5.12 1.16 -1.26 -4.95 117.46 122.93 1g91 n PHE 4 Ca -0.13 -3.03 -0.18 0.00 -1.87 0.00 0.00 57.45 52.24 1g91 n PHE 4 Cb 0.41 -0.21 -0.13 0.00 -1.61 0.00 0.00 39.48 37.94 1g91 n PHE 4 CO 0.00 0.00 0.00 -3.38 -1.87 0.00 0.00 176.76 171.51 1g91 s HIS 5 N -3.60 -0.28 0.00 2.97 -3.43 -1.26 -5.11 115.29 104.58 1g91 s HIS 5 Ca 0.48 0.17 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 1g91 s HIS 5 Cb 0.40 -0.38 0.00 0.00 -1.43 0.00 0.00 32.58 31.17 1g91 s HIS 5 CO -0.22 -0.64 0.00 0.00 -2.00 0.00 0.00 174.74 171.89 1g91 n ALA 6 N 5.32 0.00 -1.13 -1.38 0.00 -1.26 -4.36 120.51 117.70 1g91 n ALA 6 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1g91 n ALA 6 Cb 0.49 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.99 1g91 n ALA 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g91 n THR 7 N -0.17 0.84 -3.09 0.00 -2.24 -1.26 -4.96 114.28 103.40 1g91 n THR 7 Ca 0.00 -0.97 -0.45 0.00 -2.27 0.00 0.00 64.05 60.36 1g91 n THR 7 Cb 0.00 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 1g91 n THR 7 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1g91 s SER 8 N -1.48 6.65 0.77 3.42 0.15 -1.26 -5.03 113.70 116.93 1g91 s SER 8 Ca 0.11 -2.25 -0.08 0.00 0.70 0.00 0.00 55.95 54.43 1g91 s SER 8 Cb 0.10 -2.32 0.10 0.00 -1.71 0.00 0.00 66.02 62.19 1g91 s SER 8 CO 0.01 -0.88 1.09 0.00 1.20 0.00 0.00 173.24 174.65 1g91 s ALA 9 N 1.74 3.01 0.00 5.45 0.00 -1.26 -5.03 121.76 125.68 1g91 s ALA 9 Ca 0.26 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1g91 s ALA 9 Cb -0.08 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1g91 s ALA 9 CO -0.08 -1.59 0.00 -0.40 0.00 0.00 0.00 175.76 173.68 1g91 n ASP 10 N -3.11 3.30 -2.87 0.00 5.68 -1.26 -5.07 116.55 113.21 1g91 n ASP 10 Ca 0.11 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.30 1g91 n ASP 10 Cb 0.60 0.12 0.06 0.00 -1.14 0.00 0.00 41.12 40.76 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1g91 n ILE 13 N 5.58 0.79 -3.59 0.00 2.08 -1.26 -4.88 119.36 118.08 1g91 n ILE 13 Ca -0.01 -0.90 -0.01 0.00 0.56 0.00 0.00 62.75 62.39 1g91 n ILE 13 Cb 0.49 0.62 -0.06 0.00 -0.75 0.00 0.00 39.64 39.94 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1g91 s SER 14 N -0.86 -0.47 -0.15 4.38 1.04 -1.26 -5.15 113.70 111.22 1g91 s SER 14 Ca 0.08 0.73 -0.05 0.00 0.48 0.00 0.00 55.95 57.18 1g91 s SER 14 Cb 0.04 1.27 -0.04 0.00 0.10 0.00 0.00 66.02 67.40 1g91 s SER 14 CO 0.06 -0.11 0.02 -0.31 0.98 0.00 0.00 173.24 173.88 1g91 s TYR 15 N 1.53 3.19 -0.25 5.02 2.02 -1.26 -3.84 117.35 123.76 1g91 s TYR 15 Ca -0.08 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.34 1g91 s TYR 15 Cb -0.04 -1.97 -0.07 0.00 -0.40 0.00 0.00 41.96 39.48 1g91 s TYR 15 CO -0.15 0.20 2.21 -2.37 -1.57 0.00 0.00 175.55 173.87 1g91 n THR 16 N 3.15 0.31 -1.55 -0.71 5.66 -0.98 -4.82 114.28 115.33 1g91 n THR 16 Ca -0.17 -0.40 -0.41 0.00 -3.05 0.00 0.00 64.05 60.02 1g91 n THR 16 Cb 0.53 -2.29 -0.01 0.00 -1.55 0.00 0.00 70.33 67.00 1g91 n THR 16 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1g91 n PRO 17 N 8.56 2.86 -3.67 1.09 -0.04 -1.26 -4.84 135.00 137.69 1g91 n PRO 17 Ca 0.33 -2.40 -0.14 0.00 -0.04 0.00 0.00 63.50 61.25 1g91 n PRO 17 Cb 0.38 -3.12 -0.08 0.00 -0.04 0.00 0.00 33.50 30.64 1g91 n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g91 s ARG 18 N 3.19 0.69 -1.44 0.54 0.52 -1.26 -5.06 118.95 116.13 1g91 s ARG 18 Ca 0.52 0.77 -0.14 0.00 -0.52 0.00 0.00 55.73 56.37 1g91 s ARG 18 Cb 0.15 0.34 0.05 0.00 0.52 0.00 0.00 34.95 36.01 1g91 s ARG 18 CO -0.06 -0.09 2.19 0.43 0.02 0.00 0.00 175.30 177.79 1g91 n SER 19 N 2.67 4.00 -4.76 0.23 7.64 -1.26 -4.95 113.62 117.19 1g91 n SER 19 Ca -0.14 -2.87 -0.40 0.00 1.01 0.00 0.00 58.87 56.47 1g91 n SER 19 Cb 0.56 -1.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 1g91 n SER 19 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1g91 s ILE 20 N 2.90 3.52 0.58 0.44 1.01 -1.26 -5.02 121.20 123.37 1g91 s ILE 20 Ca 0.46 1.52 -0.14 0.00 0.00 0.00 0.00 60.65 62.49 1g91 s ILE 20 Cb 0.14 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1g91 s ILE 20 CO -0.08 0.35 1.02 -2.16 0.00 0.00 0.00 174.94 174.07 1g91 s PRO 21 N -1.48 3.64 0.24 2.79 0.04 -1.26 -4.95 135.00 134.02 1g91 s PRO 21 Ca 0.45 0.92 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 1g91 s PRO 21 Cb -0.31 -2.09 0.26 0.00 0.04 0.00 0.00 34.50 32.40 1g91 s PRO 21 CO 0.40 -0.53 1.62 0.00 0.04 0.00 0.00 177.00 178.53 1g91 h SER 23 N 0.45 0.00 -0.34 0.00 0.87 -1.98 0.18 113.55 112.73 1g91 h SER 23 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1g91 h SER 23 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1g91 h SER 23 CO 0.07 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.55 1g91 n LEU 24 N -3.13 2.99 -4.42 2.23 4.32 -0.90 -4.88 117.00 113.21 1g91 n LEU 24 Ca -0.03 -1.51 -0.20 0.00 -0.02 0.00 0.00 56.01 54.25 1g91 n LEU 24 Cb 0.09 -0.47 -0.10 0.00 -1.62 0.00 0.00 43.42 41.31 1g91 n LEU 24 CO 0.20 0.48 -0.28 -0.76 -1.22 0.00 0.00 177.39 175.81 1g91 s LEU 25 N -1.29 2.13 -0.01 2.23 1.43 0.63 -4.44 118.68 119.36 1g91 s LEU 25 Ca 0.28 -1.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.03 1g91 s LEU 25 Cb 0.19 -0.33 -0.00 0.00 0.03 0.00 0.00 46.19 46.07 1g91 s LEU 25 CO 0.12 -0.60 -0.01 -0.62 0.23 0.00 0.00 176.35 175.48 1g91 n GLU 26 N -0.62 0.01 -2.84 1.70 -0.58 0.09 -4.73 120.64 113.68 1g91 n GLU 26 Ca -0.02 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.65 1g91 n GLU 26 Cb 0.66 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 1g91 n GLU 26 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1g91 n SER 27 N -2.78 -1.23 -3.66 1.62 2.88 -1.03 -4.98 113.62 104.45 1g91 n SER 27 Ca -0.01 -2.06 -0.04 0.00 -1.33 0.00 0.00 58.87 55.43 1g91 n SER 27 Cb 0.51 2.10 -0.01 0.00 -0.75 0.00 0.00 64.21 66.06 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1g91 s TYR 28 N -4.40 -0.18 0.35 0.66 1.13 -1.26 0.63 117.35 114.27 1g91 s TYR 28 Ca 0.13 -0.04 -0.12 0.00 -1.41 0.00 0.00 57.07 55.63 1g91 s TYR 28 Cb -0.02 0.59 0.03 0.00 -1.10 0.00 0.00 41.96 41.46 1g91 s TYR 28 CO 0.09 -0.64 0.66 -0.59 -2.51 0.00 0.00 175.55 172.57 1g91 s PHE 29 N -3.07 0.38 0.03 -3.49 -0.71 -0.38 -4.96 117.98 105.78 1g91 s PHE 29 Ca 0.10 -0.87 0.02 0.00 -1.04 0.00 0.00 56.93 55.14 1g91 s PHE 29 Cb -0.00 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1g91 s PHE 29 CO -0.02 -1.35 0.06 -1.21 -1.34 0.00 0.00 175.22 171.36 1g91 s GLU 30 N -2.90 2.90 1.09 1.99 2.02 -1.26 -0.91 118.70 121.62 1g91 s GLU 30 Ca 0.20 -0.61 -0.17 0.00 0.02 0.00 0.00 54.97 54.41 1g91 s GLU 30 Cb -0.03 -2.75 0.24 0.00 0.10 0.00 0.00 34.13 31.69 1g91 s GLU 30 CO 0.13 0.61 1.18 0.95 0.02 0.00 0.00 175.26 178.14 1g91 s THR 31 N -1.25 1.79 0.14 3.63 -4.23 -0.83 -4.93 115.64 109.96 1g91 s THR 31 Ca 0.25 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.45 1g91 s THR 31 Cb -0.12 -2.68 -0.08 0.00 1.34 0.00 0.00 72.50 70.97 1g91 s THR 31 CO 0.16 0.00 1.32 0.21 -0.54 0.00 0.00 174.62 175.77 1g91 s ASN 32 N -4.20 6.91 0.43 3.99 3.84 -1.26 -4.85 114.94 119.81 1g91 s ASN 32 Ca 0.71 2.30 0.30 0.00 0.21 0.00 0.00 52.86 56.37 1g91 s ASN 32 Cb -0.09 -2.59 1.48 0.00 -0.55 0.00 0.00 41.25 39.49 1g91 s ASN 32 CO 0.55 -0.56 1.91 0.28 -2.79 0.00 0.00 177.10 176.49 1g91 h SER 33 N 6.20 0.00 0.84 -4.21 0.02 -2.00 -1.26 113.55 113.15 1g91 h SER 33 Ca -0.43 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 1g91 h SER 33 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1g91 h SER 33 CO 0.82 0.00 -0.08 -0.33 -1.14 0.00 0.00 176.83 176.09 1g91 h GLU 34 N 0.00 0.00 -6.47 3.45 5.08 -2.02 -3.43 114.58 111.20 1g91 h GLU 34 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1g91 h GLU 34 Cb 0.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.45 1g91 h GLU 34 CO 0.00 0.08 0.83 0.00 -1.00 0.00 0.00 179.01 178.93 1g91 h SER 36 N 7.50 0.64 -4.24 0.00 0.02 -1.89 -3.19 113.55 112.39 1g91 h SER 36 Ca -0.41 0.12 -0.67 0.00 -0.84 0.00 0.00 61.79 59.99 1g91 h SER 36 Cb 1.20 0.01 -0.38 0.00 0.14 0.00 0.00 62.40 63.37 1g91 h SER 36 CO 0.90 0.18 -0.50 -0.54 -1.14 0.00 0.00 176.83 175.72 1g91 s LYS 37 N -5.86 2.29 0.94 3.45 1.02 -1.26 -5.08 119.74 115.23 1g91 s LYS 37 Ca -0.11 -2.63 -0.15 0.00 0.02 0.00 0.00 55.97 53.10 1g91 s LYS 37 Cb 0.25 -3.52 0.17 0.00 -0.52 0.00 0.00 37.83 34.21 1g91 s LYS 37 CO 0.79 -1.15 1.24 -1.25 -0.92 0.00 0.00 175.35 174.07 1g91 s PRO 38 N -0.27 0.83 0.00 -1.68 0.04 -1.21 -2.77 135.00 129.94 1g91 s PRO 38 Ca 0.18 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1g91 s PRO 38 Cb -0.22 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1g91 s PRO 38 CO -0.02 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1g91 n GLY 39 N -3.17 -0.96 3.77 0.56 0.00 -1.26 -4.76 105.19 99.37 1g91 n GLY 39 Ca 0.12 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 1g91 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g91 s VAL 40 N -2.00 4.82 -0.22 1.61 1.01 -0.87 -1.97 120.40 122.79 1g91 s VAL 40 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1g91 s VAL 40 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1g91 s VAL 40 CO 0.00 0.61 -0.08 -0.63 0.00 0.00 0.00 175.10 175.00 1g91 s ILE 41 N -0.95 3.00 -0.13 2.22 1.01 -0.09 0.17 121.20 126.44 1g91 s ILE 41 Ca 0.14 -0.69 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1g91 s ILE 41 Cb -0.12 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1g91 s ILE 41 CO 0.03 0.40 0.25 -0.36 0.00 0.00 0.00 174.94 175.26 1g91 s PHE 42 N 1.41 3.54 -0.17 3.97 0.08 -0.47 -1.25 117.98 125.08 1g91 s PHE 42 Ca 0.05 0.61 -0.07 0.00 0.12 0.00 0.00 56.93 57.64 1g91 s PHE 42 Cb -0.14 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1g91 s PHE 42 CO -0.06 0.44 0.05 -1.17 -0.10 0.00 0.00 175.22 174.38 1g91 s LEU 43 N -0.20 3.73 0.60 -0.37 0.20 0.20 -2.04 118.68 120.81 1g91 s LEU 43 Ca 0.16 0.06 0.01 0.00 0.69 0.00 0.00 54.13 55.05 1g91 s LEU 43 Cb -0.13 -1.93 0.06 0.00 -0.43 0.00 0.00 46.19 43.76 1g91 s LEU 43 CO 0.05 0.19 0.83 0.42 -0.29 0.00 0.00 176.35 177.55 1g91 s THR 44 N 0.29 2.50 -2.00 3.68 -4.23 0.45 -0.73 115.64 115.61 1g91 s THR 44 Ca 0.02 -0.67 0.22 0.00 -1.18 0.00 0.00 61.69 60.09 1g91 s THR 44 Cb -0.13 -2.84 0.64 0.00 1.34 0.00 0.00 72.50 71.52 1g91 s THR 44 CO 0.01 0.00 1.77 1.17 -0.54 0.00 0.00 174.62 177.03 1g91 n LYS 45 N -2.46 0.84 -1.07 3.99 4.81 -1.26 -3.00 118.16 120.01 1g91 n LYS 45 Ca 0.10 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.40 1g91 n LYS 45 Cb 0.60 -1.42 0.22 0.00 0.02 0.00 0.00 35.03 34.46 1g91 n LYS 45 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1g91 n LYS 46 N -0.92 2.65 -2.00 1.64 4.81 -1.26 -4.87 118.16 118.21 1g91 n LYS 46 Ca 0.17 -3.06 -0.17 0.00 -0.87 0.00 0.00 58.31 54.37 1g91 n LYS 46 Cb 0.08 -2.12 -0.04 0.00 0.02 0.00 0.00 35.03 32.97 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g91 n GLY 47 N -0.82 0.49 3.17 3.14 0.00 -1.16 -4.94 105.19 105.06 1g91 n GLY 47 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 1g91 n GLY 47 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1g91 s ARG 48 N -4.33 2.95 0.08 1.61 6.06 -1.26 -4.96 118.95 119.12 1g91 s ARG 48 Ca 0.00 -0.83 0.06 0.00 -2.50 0.00 0.00 55.73 52.45 1g91 s ARG 48 Cb 0.00 -2.37 -0.03 0.00 0.06 0.00 0.00 34.95 32.61 1g91 s ARG 48 CO 0.00 0.00 -0.15 -0.98 -2.50 0.00 0.00 175.30 171.67 1g91 s ARG 49 N 0.78 0.88 0.31 5.12 1.70 -1.26 -0.41 118.95 126.07 1g91 s ARG 49 Ca -0.08 -1.02 0.06 0.00 -0.47 0.00 0.00 55.73 54.22 1g91 s ARG 49 Cb -0.16 -0.89 -0.03 0.00 -0.57 0.00 0.00 34.95 33.31 1g91 s ARG 49 CO -0.01 0.19 0.26 -0.59 -1.08 0.00 0.00 175.30 174.07 1g91 s PHE 50 N -1.42 1.67 0.41 5.89 -0.12 -0.86 -4.94 117.98 118.60 1g91 s PHE 50 Ca 0.01 -1.62 -0.07 0.00 -0.05 0.00 0.00 56.93 55.20 1g91 s PHE 50 Cb -0.09 -0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 41.56 1g91 s PHE 50 CO 0.03 -0.84 0.72 0.00 -0.05 0.00 0.00 175.22 175.08 1g91 s ALA 52 N -2.46 -0.84 0.24 0.00 0.00 0.44 -2.32 121.76 116.82 1g91 s ALA 52 Ca 0.48 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 1g91 s ALA 52 Cb -0.10 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.47 1g91 s ALA 52 CO 0.37 -0.18 0.98 1.21 0.00 0.00 0.00 175.76 178.13 1g91 s ASN 53 N -0.05 7.56 0.00 0.00 3.84 -1.26 -2.04 114.94 122.99 1g91 s ASN 53 Ca -0.02 2.01 0.21 0.00 0.21 0.00 0.00 52.86 55.26 1g91 s ASN 53 Cb -0.03 -2.61 1.23 0.00 -0.55 0.00 0.00 41.25 39.29 1g91 s ASN 53 CO 0.01 0.08 1.67 -0.81 -2.79 0.00 0.00 177.10 175.27 1g91 n PRO 54 N 1.51 0.80 0.00 0.43 -0.04 -1.26 -2.59 135.00 133.85 1g91 n PRO 54 Ca -0.02 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1g91 n PRO 54 Cb 0.47 -1.40 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1g91 n PRO 54 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1g91 n SER 55 N -0.90 1.99 -4.72 3.54 7.64 -1.26 -4.78 113.62 115.13 1g91 n SER 55 Ca 0.15 -1.49 -0.42 0.00 1.01 0.00 0.00 58.87 58.13 1g91 n SER 55 Cb 0.07 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.61 1g91 n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1g91 s ASP 56 N -2.42 7.29 0.36 6.43 2.15 -1.07 -4.92 116.67 124.49 1g91 s ASP 56 Ca 0.21 1.87 0.05 0.00 0.43 0.00 0.00 52.55 55.10 1g91 s ASP 56 Cb 0.19 -2.58 0.69 0.00 -0.30 0.00 0.00 42.92 40.91 1g91 s ASP 56 CO 0.53 -0.28 1.95 0.07 -0.17 0.00 0.00 175.17 177.28 1g91 h LYS 57 N 6.26 0.57 0.00 4.34 2.10 -1.91 -1.06 116.57 126.87 1g91 h LYS 57 Ca -0.42 -0.08 -0.05 0.00 -2.00 0.00 0.00 60.65 58.10 1g91 h LYS 57 Cb 1.22 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 1g91 h LYS 57 CO 0.76 0.49 -0.26 0.37 -2.00 0.00 0.00 179.45 178.81 1g91 h GLN 58 N 0.57 0.00 -0.06 0.07 5.75 -1.94 -1.63 115.11 117.86 1g91 h GLN 58 Ca 0.14 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.55 1g91 h GLN 58 Cb 0.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1g91 h GLN 58 CO -0.01 0.26 -0.29 0.28 -2.65 0.00 0.00 178.83 176.42 1g91 h VAL 59 N 0.00 1.43 -0.07 2.39 2.07 -1.51 -1.92 116.25 118.64 1g91 h VAL 59 Ca -0.00 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.72 1g91 h VAL 59 Cb 0.66 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1g91 h VAL 59 CO 0.03 0.48 -0.41 1.56 0.02 0.00 0.00 177.57 179.26 1g91 h GLN 60 N -0.20 0.16 0.00 1.57 4.20 -1.36 -1.04 115.11 118.45 1g91 h GLN 60 Ca -0.02 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1g91 h GLN 60 Cb 0.93 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1g91 h GLN 60 CO 0.06 0.55 -0.53 0.28 -0.67 0.00 0.00 178.83 178.52 1g91 h VAL 61 N 0.14 1.18 0.22 -0.54 2.07 -1.28 -2.97 116.25 115.06 1g91 h VAL 61 Ca 0.01 -1.95 -0.34 0.00 0.82 0.00 0.00 66.70 65.24 1g91 h VAL 61 Cb 0.79 2.12 0.02 0.00 -1.52 0.00 0.00 31.29 32.70 1g91 h VAL 61 CO 0.06 0.52 -1.61 0.00 0.02 0.00 0.00 177.57 176.56 1g91 h MET 63 N 0.13 0.55 0.00 0.00 2.07 -1.20 0.21 114.93 116.69 1g91 h MET 63 Ca -0.30 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.30 1g91 h MET 63 Cb 2.13 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 31.74 1g91 h MET 63 CO 0.23 0.36 0.00 2.89 1.07 0.00 0.00 176.91 181.46 1g91 n ARG 64 N -4.84 0.12 -0.12 1.72 1.85 -1.12 0.48 116.66 114.75 1g91 n ARG 64 Ca 0.05 0.60 -0.24 0.00 -1.00 0.00 0.00 57.85 57.25 1g91 n ARG 64 Cb 0.13 -1.88 -0.11 0.00 -1.05 0.00 0.00 32.46 29.55 1g91 n ARG 64 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1g91 n MET 65 N -2.13 0.57 0.23 2.89 1.56 0.61 -4.11 117.12 116.74 1g91 n MET 65 Ca -0.01 0.46 0.12 0.00 -0.27 0.00 0.00 57.70 58.00 1g91 n MET 65 Cb 0.05 -1.65 0.40 0.00 2.15 0.00 0.00 33.22 34.16 1g91 n MET 65 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1g91 h LEU 66 N -1.00 0.00 -9.67 -0.89 3.38 -0.86 -3.46 115.31 102.82 1g91 h LEU 66 Ca -0.47 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 1g91 h LEU 66 Cb 1.41 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.33 1g91 h LEU 66 CO -0.29 0.13 -0.17 0.29 0.09 0.00 0.00 178.44 178.49 1g91 n LYS 67 N -3.20 0.63 0.12 1.13 4.76 0.18 -4.85 118.16 116.93 1g91 n LYS 67 Ca 0.02 0.25 0.13 0.00 -2.87 0.00 0.00 58.31 55.84 1g91 n LYS 67 Cb 0.45 -1.92 0.40 0.00 -1.84 0.00 0.00 35.03 32.13 1g91 n LYS 67 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1g91 h LEU 68 N 0.24 0.00 0.05 -0.35 3.38 -1.88 -3.28 115.31 113.46 1g91 h LEU 68 Ca -0.47 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.25 1g91 h LEU 68 Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1g91 h LEU 68 CO 0.48 0.00 -1.38 -0.78 0.09 0.00 0.00 178.44 176.85 1g91 h ASP 69 N 0.00 0.15 0.00 -0.43 1.82 -1.92 -3.47 116.42 112.57 1g91 h ASP 69 Ca 0.00 -0.68 0.00 0.00 -0.39 0.00 0.00 57.03 55.96 1g91 h ASP 69 Cb 0.70 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1g91 h ASP 69 CO 0.00 1.57 0.00 0.41 -1.61 0.00 0.00 179.24 179.61 1g91 n THR 70 N -4.16 0.00 0.00 2.25 -1.04 -1.24 -3.67 114.28 106.42 1g91 n THR 70 Ca -0.30 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1g91 n THR 70 Cb 0.79 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.30 1g91 n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1g91 n ARG 71 N 0.00 0.00 -0.65 -2.82 1.74 -1.26 -4.90 116.66 108.77 1g91 n ARG 71 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1g91 n ARG 71 Cb 0.00 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 31.64 1g91 n ARG 71 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1g91 n ILE 72 N 0.00 2.37 -2.88 0.55 2.08 -1.26 -5.02 119.36 115.20 1g91 n ILE 72 Ca 0.00 -2.79 -0.00 0.00 0.56 0.00 0.00 62.75 60.52 1g91 n ILE 72 Cb 0.00 -0.28 -0.00 0.00 -0.75 0.00 0.00 39.64 38.60 1g91 n ILE 72 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1g91 n LYS 73 N -1.10 -2.46 -3.99 0.38 4.81 -1.24 -4.98 118.16 109.58 1g91 n LYS 73 Ca 0.26 2.14 -0.30 0.00 -0.87 0.00 0.00 58.31 59.53 1g91 n LYS 73 Cb 0.88 -3.76 -0.16 0.00 0.02 0.00 0.00 35.03 32.01 1g91 n LYS 73 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1g91 s THR 74 N -1.29 1.63 0.00 3.15 -4.23 -1.26 -5.06 115.64 108.57 1g91 s THR 74 Ca -0.02 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1g91 s THR 74 Cb 0.00 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1g91 s THR 74 CO 0.50 0.17 0.00 -1.14 -0.54 0.00 0.00 174.62 173.61 1g91 n ARG 75 N 4.69 0.00 0.00 3.99 0.63 -1.26 -4.87 116.66 119.84 1g91 n ARG 75 Ca -0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1g91 n ARG 75 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 1g91 n ARG 75 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1g91 n LYS 76 N 0.00 0.00 0.00 -0.14 3.00 -1.26 -5.21 118.16 114.55 1g91 n LYS 76 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1g91 n LYS 76 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.02 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69