#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 0.00 0.10 6.12 -0.08 -1.26 -3.87 116.55 117.57 1g91 n ASP 2 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 1g91 n ASP 2 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1g91 h ARG 3 N 0.00 0.45 -0.01 -0.67 2.43 -2.11 -3.30 114.38 111.16 1g91 h ARG 3 Ca 0.00 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1g91 h ARG 3 Cb 0.00 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1g91 h ARG 3 CO 0.00 1.28 -0.46 1.19 -1.51 0.00 0.00 179.97 180.47 1g91 n PHE 4 N -3.68 0.00 -4.20 2.20 3.01 -1.25 -4.94 117.46 108.60 1g91 n PHE 4 Ca -0.11 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.05 1g91 n PHE 4 Cb 0.99 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.36 1g91 n PHE 4 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1g91 s HIS 5 N -2.28 2.83 -0.01 1.38 2.46 -1.24 -4.53 115.29 113.90 1g91 s HIS 5 Ca 0.15 -0.11 0.00 0.00 0.47 0.00 0.00 55.06 55.58 1g91 s HIS 5 Cb 0.16 -1.47 0.00 0.00 -0.13 0.00 0.00 32.58 31.13 1g91 s HIS 5 CO 0.52 0.45 0.00 0.00 -2.47 0.00 0.00 174.74 173.24 1g91 n ALA 6 N 0.67 0.00 -3.50 1.58 0.00 -1.26 -4.14 120.51 113.86 1g91 n ALA 6 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1g91 n ALA 6 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 1g91 n ALA 6 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1g91 s THR 7 N -2.25 5.01 -1.12 0.00 -1.32 -1.26 -4.93 115.64 109.77 1g91 s THR 7 Ca 0.00 -3.31 -0.03 0.00 -1.21 0.00 0.00 61.69 57.14 1g91 s THR 7 Cb 0.00 -4.09 0.21 0.00 -1.51 0.00 0.00 72.50 67.12 1g91 s THR 7 CO 0.00 -1.07 2.15 -1.20 -2.21 0.00 0.00 174.62 172.29 1g91 n SER 8 N 2.96 7.65 -3.87 8.08 7.64 -1.26 -4.86 113.62 129.96 1g91 n SER 8 Ca 0.18 -3.42 -0.42 0.00 1.01 0.00 0.00 58.87 56.23 1g91 n SER 8 Cb 0.40 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g91 n ALA 9 N 0.80 5.27 -0.16 -0.43 0.00 -1.26 -4.31 120.51 120.41 1g91 n ALA 9 Ca 0.55 -4.04 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1g91 n ALA 9 Cb 0.27 -3.34 0.00 0.00 0.00 0.00 0.00 19.45 16.38 1g91 n ALA 9 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1g91 n ASP 10 N 5.50 0.56 -4.69 0.00 5.75 -1.26 -5.04 116.55 117.37 1g91 n ASP 10 Ca 0.47 -0.83 -0.30 0.00 -0.01 0.00 0.00 54.79 54.12 1g91 n ASP 10 Cb 0.39 0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.61 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g91 n ILE 13 N 6.45 0.11 -3.63 0.00 3.06 -1.26 -4.83 119.36 119.25 1g91 n ILE 13 Ca 0.05 -0.20 -0.12 0.00 -2.50 0.00 0.00 62.75 59.98 1g91 n ILE 13 Cb 0.49 0.35 -0.07 0.00 0.54 0.00 0.00 39.64 40.95 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1g91 s SER 14 N -3.72 -0.71 -0.02 9.51 0.01 -1.26 -5.16 113.70 112.35 1g91 s SER 14 Ca 0.04 1.33 0.01 0.00 1.31 0.00 0.00 55.95 58.64 1g91 s SER 14 Cb 0.15 1.34 -0.03 0.00 0.21 0.00 0.00 66.02 67.68 1g91 s SER 14 CO 0.82 -0.23 -0.03 -0.31 0.41 0.00 0.00 173.24 173.90 1g91 s TYR 15 N 0.56 3.02 -0.32 2.43 1.51 -1.26 -4.07 117.35 119.21 1g91 s TYR 15 Ca -0.01 0.05 -0.35 0.00 -1.01 0.00 0.00 57.07 55.76 1g91 s TYR 15 Cb -0.05 -1.67 -0.11 0.00 -0.11 0.00 0.00 41.96 40.02 1g91 s TYR 15 CO -0.04 0.42 2.16 -2.37 -1.11 0.00 0.00 175.55 174.62 1g91 n THR 16 N 1.64 0.23 -1.37 -0.71 5.66 -0.76 -4.79 114.28 114.18 1g91 n THR 16 Ca -0.16 -0.26 -0.39 0.00 -3.05 0.00 0.00 64.05 60.19 1g91 n THR 16 Cb 0.53 -1.73 -0.02 0.00 -1.55 0.00 0.00 70.33 67.56 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 8.09 2.75 -1.21 1.09 -0.04 -1.26 -4.79 135.00 139.62 1g91 n PRO 17 Ca 0.39 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 1g91 n PRO 17 Cb 0.25 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 1g91 n PRO 17 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1g91 n ARG 18 N 5.29 0.00 -3.35 0.54 1.74 -1.26 -5.14 116.66 114.48 1g91 n ARG 18 Ca 0.58 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.28 1g91 n ARG 18 Cb 0.31 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.69 1g91 n ARG 18 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1g91 s SER 19 N -0.76 6.66 -0.38 0.55 1.04 -1.26 -5.04 113.70 114.50 1g91 s SER 19 Ca 0.00 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.13 1g91 s SER 19 Cb 0.00 -2.27 0.06 0.00 0.10 0.00 0.00 66.02 63.91 1g91 s SER 19 CO 0.00 0.03 0.20 -0.63 0.98 0.00 0.00 173.24 173.82 1g91 s ILE 20 N 0.51 4.12 -0.11 -1.02 1.01 -1.26 -5.06 121.20 119.39 1g91 s ILE 20 Ca 0.25 -1.24 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 1g91 s ILE 20 Cb -0.15 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1g91 s ILE 20 CO 0.10 -0.36 1.13 -2.16 0.00 0.00 0.00 174.94 173.65 1g91 s PRO 21 N 1.43 4.35 0.46 2.79 0.04 -1.26 -4.92 135.00 137.89 1g91 s PRO 21 Ca 0.01 1.54 0.15 0.00 0.04 0.00 0.00 61.00 62.74 1g91 s PRO 21 Cb -0.21 -3.59 1.10 0.00 0.04 0.00 0.00 34.50 31.84 1g91 s PRO 21 CO 0.03 -0.46 2.04 0.00 0.04 0.00 0.00 177.00 178.64 1g91 h SER 23 N 0.29 0.00 -0.32 0.00 0.02 -2.04 0.20 113.55 111.70 1g91 h SER 23 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1g91 h SER 23 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1g91 h SER 23 CO -0.04 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 175.54 1g91 n LEU 24 N -2.32 4.09 -4.16 5.07 0.00 0.61 -4.95 117.00 115.35 1g91 n LEU 24 Ca -0.02 -2.90 -0.27 0.00 0.00 0.00 0.00 56.01 52.82 1g91 n LEU 24 Cb 0.07 -0.54 -0.16 0.00 0.00 0.00 0.00 43.42 42.79 1g91 n LEU 24 CO 0.10 0.68 -0.51 -0.76 0.00 0.00 0.00 177.39 176.90 1g91 s LEU 25 N -2.64 1.95 -0.08 -1.96 1.43 0.71 -4.18 118.68 113.90 1g91 s LEU 25 Ca 0.43 -0.38 0.20 0.00 -1.03 0.00 0.00 54.13 53.35 1g91 s LEU 25 Cb 0.33 -1.03 -0.30 0.00 0.03 0.00 0.00 46.19 45.22 1g91 s LEU 25 CO 0.11 0.17 0.35 1.21 0.23 0.00 0.00 176.35 178.42 1g91 n GLU 26 N 3.09 0.67 -3.62 1.70 2.13 -0.39 -4.91 120.64 119.30 1g91 n GLU 26 Ca -0.18 -0.12 0.04 0.00 0.66 0.00 0.00 57.16 57.56 1g91 n GLU 26 Cb 0.53 -1.53 0.01 0.00 0.27 0.00 0.00 31.44 30.71 1g91 n GLU 26 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1g91 n SER 27 N -2.45 -0.80 -3.62 4.31 7.64 -1.18 -5.02 113.62 112.50 1g91 n SER 27 Ca -0.14 -1.01 -0.02 0.00 1.01 0.00 0.00 58.87 58.71 1g91 n SER 27 Cb 0.78 1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 65.19 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1g91 s TYR 28 N -2.01 -0.04 0.29 1.43 1.13 -1.26 -0.33 117.35 116.56 1g91 s TYR 28 Ca 0.26 -0.23 -0.16 0.00 -1.41 0.00 0.00 57.07 55.53 1g91 s TYR 28 Cb -0.00 0.63 0.01 0.00 -1.10 0.00 0.00 41.96 41.50 1g91 s TYR 28 CO -0.02 -0.70 0.62 -0.59 -2.51 0.00 0.00 175.55 172.35 1g91 s PHE 29 N -2.70 0.16 -0.07 -3.49 -0.71 -0.25 -4.97 117.98 105.96 1g91 s PHE 29 Ca 0.16 -0.60 -0.02 0.00 -1.04 0.00 0.00 56.93 55.44 1g91 s PHE 29 Cb -0.00 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 1g91 s PHE 29 CO 0.02 -1.18 0.03 -1.21 -1.34 0.00 0.00 175.22 171.53 1g91 s GLU 30 N -3.67 3.02 0.83 1.99 2.02 -1.26 -0.31 118.70 121.31 1g91 s GLU 30 Ca 0.18 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.65 1g91 s GLU 30 Cb -0.03 -2.83 0.09 0.00 0.10 0.00 0.00 34.13 31.46 1g91 s GLU 30 CO 0.09 0.69 1.12 0.95 0.02 0.00 0.00 175.26 178.14 1g91 s THR 31 N -0.98 2.77 0.25 3.63 -4.23 -0.91 -4.94 115.64 111.23 1g91 s THR 31 Ca 0.16 0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 60.63 1g91 s THR 31 Cb -0.12 -2.55 -0.09 0.00 1.34 0.00 0.00 72.50 71.08 1g91 s THR 31 CO 0.05 -0.32 1.10 0.21 -0.54 0.00 0.00 174.62 175.13 1g91 s ASN 32 N -3.03 7.26 0.51 3.99 3.84 -1.26 -4.84 114.94 121.41 1g91 s ASN 32 Ca 0.64 2.23 0.28 0.00 0.21 0.00 0.00 52.86 56.22 1g91 s ASN 32 Cb -0.20 -2.62 1.40 0.00 -0.55 0.00 0.00 41.25 39.28 1g91 s ASN 32 CO 0.56 -0.17 1.89 -1.28 -2.79 0.00 0.00 177.10 175.32 1g91 h SER 33 N 4.16 0.08 -0.61 -4.21 0.87 -1.97 0.17 113.55 112.03 1g91 h SER 33 Ca -0.46 0.01 0.18 0.00 -1.23 0.00 0.00 61.79 60.29 1g91 h SER 33 Cb 1.21 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1g91 h SER 33 CO 0.68 0.03 0.78 -0.33 -0.53 0.00 0.00 176.83 177.46 1g91 h GLU 34 N 0.08 0.00 -7.18 2.24 5.08 -1.99 -3.40 114.58 109.41 1g91 h GLU 34 Ca 0.42 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.27 1g91 h GLU 34 Cb 1.54 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.89 1g91 h GLU 34 CO -0.04 0.00 0.38 0.00 -1.00 0.00 0.00 179.01 178.35 1g91 h SER 36 N 0.18 -0.89 -3.14 0.00 0.02 -1.88 -3.43 113.55 104.41 1g91 h SER 36 Ca -0.47 0.03 -0.68 0.00 -0.84 0.00 0.00 61.79 59.83 1g91 h SER 36 Cb 1.25 0.23 -0.13 0.00 0.14 0.00 0.00 62.40 63.89 1g91 h SER 36 CO 0.54 -0.59 -0.58 -0.54 -1.14 0.00 0.00 176.83 174.52 1g91 s LYS 37 N -5.14 3.11 0.80 3.45 -0.14 -1.26 -5.10 119.74 115.45 1g91 s LYS 37 Ca -0.15 -0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 54.01 1g91 s LYS 37 Cb 0.02 -2.90 0.07 0.00 -1.68 0.00 0.00 37.83 33.33 1g91 s LYS 37 CO 0.46 0.72 1.14 -1.25 -0.76 0.00 0.00 175.35 175.67 1g91 s PRO 38 N -0.92 2.10 0.00 -1.68 0.04 -1.26 -4.15 135.00 129.12 1g91 s PRO 38 Ca 0.14 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1g91 s PRO 38 Cb -0.11 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1g91 s PRO 38 CO 0.03 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.94 1g91 n GLY 39 N -2.93 0.71 3.39 0.56 0.00 -1.26 -4.79 105.19 100.86 1g91 n GLY 39 Ca 0.07 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 2.36 -0.15 1.61 1.01 -1.01 -2.15 120.40 120.07 1g91 s VAL 40 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.55 1g91 s VAL 40 Cb 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1g91 s VAL 40 CO 0.00 0.29 -0.11 -0.63 0.00 0.00 0.00 175.10 174.66 1g91 s ILE 41 N -0.90 3.18 -0.14 2.22 1.01 0.57 1.00 121.20 128.14 1g91 s ILE 41 Ca 0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 1g91 s ILE 41 Cb -0.10 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1g91 s ILE 41 CO 0.04 0.50 0.04 -0.36 0.00 0.00 0.00 174.94 175.17 1g91 s PHE 42 N 0.57 3.24 -0.31 3.97 0.40 -0.10 -1.09 117.98 124.66 1g91 s PHE 42 Ca -0.07 0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.29 1g91 s PHE 42 Cb -0.15 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 1g91 s PHE 42 CO 0.03 0.30 0.16 -1.17 0.70 0.00 0.00 175.22 175.24 1g91 s LEU 43 N -0.19 4.15 0.55 -0.37 1.98 0.56 -2.22 118.68 123.13 1g91 s LEU 43 Ca 0.07 -0.54 -0.06 0.00 -2.89 0.00 0.00 54.13 50.71 1g91 s LEU 43 Cb -0.12 -2.01 -0.01 0.00 0.66 0.00 0.00 46.19 44.71 1g91 s LEU 43 CO 0.02 -0.20 0.86 0.42 -1.89 0.00 0.00 176.35 175.55 1g91 s THR 44 N 1.62 4.23 -1.83 3.68 -4.23 -0.06 -1.26 115.64 117.78 1g91 s THR 44 Ca 0.05 0.12 0.23 0.00 -1.18 0.00 0.00 61.69 60.90 1g91 s THR 44 Cb -0.17 -3.64 0.57 0.00 1.34 0.00 0.00 72.50 70.60 1g91 s THR 44 CO 0.06 -0.66 1.73 1.17 -0.54 0.00 0.00 174.62 176.39 1g91 n LYS 45 N -2.45 0.60 -1.00 3.99 4.81 -1.26 -2.72 118.16 120.13 1g91 n LYS 45 Ca 0.03 0.02 -0.09 0.00 -0.87 0.00 0.00 58.31 57.40 1g91 n LYS 45 Cb 0.56 -1.50 0.26 0.00 0.02 0.00 0.00 35.03 34.37 1g91 n LYS 45 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1g91 n LYS 46 N -1.09 3.25 -2.29 1.64 5.02 -1.26 -4.86 118.16 118.56 1g91 n LYS 46 Ca 0.15 -2.83 -0.20 0.00 -2.02 0.00 0.00 58.31 53.41 1g91 n LYS 46 Cb 0.11 -2.14 -0.02 0.00 -0.02 0.00 0.00 35.03 32.96 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g91 n GLY 47 N -0.31 -0.18 3.08 0.72 0.00 -1.10 -4.96 105.19 102.45 1g91 n GLY 47 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.86 2.41 0.22 1.61 3.52 -1.25 -4.97 118.95 115.62 1g91 s ARG 48 Ca 0.00 -0.63 0.09 0.00 -0.13 0.00 0.00 55.73 55.06 1g91 s ARG 48 Cb 0.00 -2.03 -0.05 0.00 -1.56 0.00 0.00 34.95 31.31 1g91 s ARG 48 CO 0.00 -0.06 -0.17 -0.98 -0.81 0.00 0.00 175.30 173.28 1g91 s ARG 49 N 0.98 1.42 0.26 5.12 3.03 -1.26 -0.88 118.95 127.62 1g91 s ARG 49 Ca -0.06 -1.60 -0.15 0.00 2.03 0.00 0.00 55.73 55.95 1g91 s ARG 49 Cb -0.15 -1.37 0.01 0.00 -1.03 0.00 0.00 34.95 32.41 1g91 s ARG 49 CO -0.02 0.25 0.57 -0.59 -1.13 0.00 0.00 175.30 174.37 1g91 s PHE 50 N -2.59 0.19 0.14 5.89 -0.12 -0.94 -4.94 117.98 115.60 1g91 s PHE 50 Ca 0.23 -0.59 -0.15 0.00 -0.05 0.00 0.00 56.93 56.38 1g91 s PHE 50 Cb -0.03 0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.66 1g91 s PHE 50 CO 0.09 -1.09 0.55 0.00 -0.05 0.00 0.00 175.22 174.72 1g91 s ALA 52 N -1.44 1.51 0.00 0.00 0.00 0.28 -1.83 121.76 120.29 1g91 s ALA 52 Ca 0.37 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1g91 s ALA 52 Cb -0.15 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 1g91 s ALA 52 CO 0.19 0.18 1.34 1.21 0.00 0.00 0.00 175.76 178.68 1g91 s ASN 53 N -2.16 6.91 0.00 0.00 3.84 -1.26 -2.41 114.94 119.86 1g91 s ASN 53 Ca 0.06 2.06 0.24 0.00 0.21 0.00 0.00 52.86 55.42 1g91 s ASN 53 Cb -0.07 -2.56 1.10 0.00 -0.55 0.00 0.00 41.25 39.16 1g91 s ASN 53 CO 0.03 -0.66 1.77 -0.81 -2.79 0.00 0.00 177.10 174.64 1g91 n PRO 54 N 5.07 0.16 -0.02 0.43 -0.04 -1.26 -2.52 135.00 136.83 1g91 n PRO 54 Ca 0.12 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1g91 n PRO 54 Cb 0.44 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.40 2.78 -4.72 3.54 7.64 -1.26 -4.72 113.62 115.48 1g91 n SER 55 Ca 0.08 -1.87 -0.42 0.00 1.01 0.00 0.00 58.87 57.68 1g91 n SER 55 Cb 0.23 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 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 -1.68 7.11 0.54 6.43 -1.08 -1.05 -4.89 116.67 122.04 1g91 s ASP 56 Ca 0.25 2.05 0.21 0.00 -0.52 0.00 0.00 52.55 54.54 1g91 s ASP 56 Cb 0.18 -2.59 1.45 0.00 -1.46 0.00 0.00 42.92 40.50 1g91 s ASP 56 CO 0.26 -0.42 2.17 0.07 0.52 0.00 0.00 175.17 177.77 1g91 h LYS 57 N 6.38 0.00 0.00 4.34 5.09 -1.92 0.13 116.57 130.59 1g91 h LYS 57 Ca -0.42 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.24 1g91 h LYS 57 Cb 1.21 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.53 1g91 h LYS 57 CO 0.79 0.02 -0.36 1.96 -2.09 0.00 0.00 179.45 179.77 1g91 h GLN 58 N 0.00 0.00 0.23 0.07 4.20 -1.94 -0.98 115.11 116.69 1g91 h GLN 58 Ca -0.00 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.40 1g91 h GLN 58 Cb 0.04 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.85 1g91 h GLN 58 CO 0.00 0.36 -1.39 0.28 -0.67 0.00 0.00 178.83 177.42 1g91 h VAL 59 N 0.00 1.29 -0.00 -0.54 2.07 -1.27 -2.32 116.25 115.48 1g91 h VAL 59 Ca -0.00 -2.65 -0.16 0.00 0.82 0.00 0.00 66.70 64.71 1g91 h VAL 59 Cb 1.06 3.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.86 1g91 h VAL 59 CO 0.05 0.80 -0.76 1.56 0.02 0.00 0.00 177.57 179.23 1g91 h GLN 60 N 0.04 0.01 -0.02 1.57 4.20 -1.37 -2.40 115.11 117.15 1g91 h GLN 60 Ca -0.25 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.25 1g91 h GLN 60 Cb 2.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.85 1g91 h GLN 60 CO 0.24 0.77 -0.84 0.28 -0.67 0.00 0.00 178.83 178.61 1g91 h VAL 61 N 0.01 1.43 -0.16 -0.54 2.07 -1.25 -3.22 116.25 114.59 1g91 h VAL 61 Ca -0.01 -2.41 -0.20 0.00 0.82 0.00 0.00 66.70 64.90 1g91 h VAL 61 Cb 1.35 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1g91 h VAL 61 CO 0.10 0.71 -0.69 0.00 0.02 0.00 0.00 177.57 177.71 1g91 h MET 63 N 0.48 0.00 -0.26 0.00 3.00 -1.43 0.21 114.93 116.92 1g91 h MET 63 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 59.70 59.54 1g91 h MET 63 Cb 1.29 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.89 1g91 h MET 63 CO 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 176.91 176.69 1g91 h ARG 64 N 0.00 0.71 0.04 -0.10 3.08 -1.60 -3.31 114.38 113.19 1g91 h ARG 64 Ca 0.10 -0.41 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 1g91 h ARG 64 Cb 0.99 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1g91 h ARG 64 CO -0.00 1.03 -0.02 1.98 -1.07 0.00 0.00 179.97 181.89 1g91 h MET 65 N 0.44 -0.05 -4.82 0.04 4.05 -0.76 -3.36 114.93 110.47 1g91 h MET 65 Ca 0.03 0.00 -0.54 0.00 -0.28 0.00 0.00 59.70 58.91 1g91 h MET 65 Cb 0.94 0.01 0.03 0.00 -0.80 0.00 0.00 31.60 31.78 1g91 h MET 65 CO 0.08 0.62 1.84 1.28 0.23 0.00 0.00 176.91 180.96 1g91 n LEU 66 N -4.76 3.52 -4.68 3.39 4.77 -0.60 -4.92 117.00 113.73 1g91 n LEU 66 Ca -0.08 -2.87 -0.32 0.00 -0.03 0.00 0.00 56.01 52.71 1g91 n LEU 66 Cb 0.34 -1.26 0.16 0.00 -2.33 0.00 0.00 43.42 40.32 1g91 n LEU 66 CO 0.29 -0.97 0.71 -1.59 -1.33 0.00 0.00 177.39 174.51 1g91 s LYS 67 N 5.63 1.18 0.37 3.23 -2.85 -1.26 -4.85 119.74 121.19 1g91 s LYS 67 Ca 0.62 1.64 -0.27 0.00 -1.00 0.00 0.00 55.97 56.96 1g91 s LYS 67 Cb 0.10 -1.74 -0.09 0.00 -2.06 0.00 0.00 37.83 34.04 1g91 s LYS 67 CO 0.14 -2.53 1.27 -0.51 0.10 0.00 0.00 175.35 173.82 1g91 s LEU 68 N -6.33 4.31 -0.63 2.77 1.43 -1.26 -4.83 118.68 114.13 1g91 s LEU 68 Ca 0.69 2.59 -0.19 0.00 -1.03 0.00 0.00 54.13 56.19 1g91 s LEU 68 Cb -0.25 -3.82 -0.16 0.00 0.03 0.00 0.00 46.19 41.99 1g91 s LEU 68 CO 0.56 -0.67 1.85 0.47 0.23 0.00 0.00 176.35 178.79 1g91 n ASP 69 N 0.42 2.57 -2.61 2.29 9.92 -1.26 -4.39 116.55 123.48 1g91 n ASP 69 Ca 0.02 -2.54 -0.13 0.00 -0.53 0.00 0.00 54.79 51.61 1g91 n ASP 69 Cb 0.43 -0.97 0.02 0.00 -0.64 0.00 0.00 41.12 39.97 1g91 n ASP 69 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1g91 n THR 70 N 5.75 1.40 -4.41 -3.53 -2.24 -1.26 -5.05 114.28 104.93 1g91 n THR 70 Ca 0.45 -3.53 -0.26 0.00 -2.27 0.00 0.00 64.05 58.44 1g91 n THR 70 Cb 0.33 0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.65 1g91 n THR 70 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1g91 s ARG 71 N -3.30 1.49 -1.41 -0.78 3.52 -1.26 -4.67 118.95 112.54 1g91 s ARG 71 Ca 0.33 -1.52 -0.14 0.00 -0.13 0.00 0.00 55.73 54.27 1g91 s ARG 71 Cb 0.43 -1.78 0.12 0.00 -1.56 0.00 0.00 34.95 32.16 1g91 s ARG 71 CO -0.02 0.38 0.58 -0.89 -0.81 0.00 0.00 175.30 174.54 1g91 n ILE 72 N 0.25 -0.84 -2.33 4.11 5.41 -1.26 -4.91 119.36 119.79 1g91 n ILE 72 Ca -0.12 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.35 1g91 n ILE 72 Cb 0.56 -1.52 0.03 0.00 -0.71 0.00 0.00 39.64 38.00 1g91 n ILE 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1g91 s LYS 73 N -6.41 3.06 -0.02 0.38 -0.14 -1.26 -5.07 119.74 110.27 1g91 s LYS 73 Ca 0.55 0.15 -0.01 0.00 -1.36 0.00 0.00 55.97 55.30 1g91 s LYS 73 Cb -0.30 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 1g91 s LYS 73 CO 0.68 -0.66 0.08 0.95 -0.76 0.00 0.00 175.35 175.64 1g91 s THR 74 N -3.02 4.77 0.01 2.17 -4.23 -1.26 -5.02 115.64 109.06 1g91 s THR 74 Ca 0.53 -0.35 -0.25 0.00 -1.18 0.00 0.00 61.69 60.45 1g91 s THR 74 Cb -0.11 -3.16 -0.19 0.00 1.34 0.00 0.00 72.50 70.39 1g91 s THR 74 CO 0.47 0.39 1.38 0.03 -0.54 0.00 0.00 174.62 176.35 1g91 h ARG 75 N 4.24 -0.01 0.00 3.99 2.47 -2.05 -3.44 114.38 119.57 1g91 h ARG 75 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1g91 h ARG 75 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1g91 h ARG 75 CO 0.62 0.35 0.00 1.63 0.56 0.00 0.00 179.97 183.12 1g91 n LYS 76 N -4.92 0.00 -0.61 0.04 5.02 -1.26 -5.35 118.16 111.08 1g91 n LYS 76 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1g91 n LYS 76 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17