#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 3.09 -4.55 7.83 -0.08 -1.26 -4.79 116.55 116.79 1g91 n ASP 2 Ca 0.00 1.19 -0.27 0.00 -1.51 0.00 0.00 54.79 54.20 1g91 n ASP 2 Cb 0.00 -1.51 -0.05 0.00 2.34 0.00 0.00 41.12 41.90 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1g91 s ARG 3 N -1.53 2.07 -0.36 -0.67 1.81 -1.26 -4.66 118.95 114.35 1g91 s ARG 3 Ca 0.58 0.74 0.13 0.00 -1.72 0.00 0.00 55.73 55.46 1g91 s ARG 3 Cb -0.56 -4.69 0.42 0.00 -0.45 0.00 0.00 34.95 29.67 1g91 s ARG 3 CO 0.59 -3.61 1.14 0.34 -0.68 0.00 0.00 175.30 173.08 1g91 n PHE 4 N 16.12 -0.74 -3.25 -0.53 7.35 -1.26 -4.99 117.46 130.17 1g91 n PHE 4 Ca 0.38 -2.39 -0.25 0.00 -0.76 0.00 0.00 57.45 54.42 1g91 n PHE 4 Cb 0.49 0.63 -0.06 0.00 0.35 0.00 0.00 39.48 40.89 1g91 n PHE 4 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 1g91 n HIS 5 N -0.29 2.53 0.37 -5.13 -0.00 -1.26 -4.79 115.22 106.66 1g91 n HIS 5 Ca 0.04 -3.96 0.04 0.00 0.46 0.00 0.00 57.72 54.30 1g91 n HIS 5 Cb 0.82 -0.49 -0.05 0.00 -0.12 0.00 0.00 29.99 30.16 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1g91 n ALA 6 N 0.68 3.06 -2.52 1.57 0.00 -1.26 -4.98 120.51 117.06 1g91 n ALA 6 Ca 0.28 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1g91 n ALA 6 Cb 0.46 -0.31 -0.15 0.00 0.00 0.00 0.00 19.45 19.44 1g91 n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g91 s THR 7 N -1.87 1.29 -0.17 0.00 -4.23 -1.26 -5.03 115.64 104.37 1g91 s THR 7 Ca 0.03 -0.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.92 1g91 s THR 7 Cb 0.06 -1.08 -0.23 0.00 1.34 0.00 0.00 72.50 72.60 1g91 s THR 7 CO 0.35 0.36 0.15 -1.20 -0.54 0.00 0.00 174.62 173.74 1g91 n SER 8 N 2.66 1.03 -4.87 3.99 7.64 -1.26 -4.93 113.62 117.88 1g91 n SER 8 Ca -0.15 0.08 -0.32 0.00 1.01 0.00 0.00 58.87 59.49 1g91 n SER 8 Cb 0.54 0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.82 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g91 s ALA 9 N -2.53 3.56 0.00 -0.43 0.00 -1.26 -4.95 121.76 116.15 1g91 s ALA 9 Ca -0.17 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1g91 s ALA 9 Cb 0.07 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1g91 s ALA 9 CO 0.76 0.50 0.00 -0.25 0.00 0.00 0.00 175.76 176.77 1g91 n ASP 10 N -0.08 0.00 -4.74 0.00 8.00 -1.26 -5.08 116.55 113.39 1g91 n ASP 10 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 1g91 n ASP 10 Cb 0.52 0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.68 1g91 n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g91 n ILE 13 N 1.10 0.00 -3.29 0.00 5.41 -1.26 -4.78 119.36 116.54 1g91 n ILE 13 Ca -0.13 -0.41 -0.01 0.00 1.00 0.00 0.00 62.75 63.20 1g91 n ILE 13 Cb 0.52 1.03 -0.04 0.00 -0.71 0.00 0.00 39.64 40.44 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1g91 s SER 14 N -0.70 -0.77 0.61 4.38 0.01 -1.26 -5.16 113.70 110.81 1g91 s SER 14 Ca 0.00 0.74 -0.06 0.00 1.31 0.00 0.00 55.95 57.93 1g91 s SER 14 Cb 0.00 1.79 0.01 0.00 0.21 0.00 0.00 66.02 68.03 1g91 s SER 14 CO 0.00 -0.27 0.93 -0.31 0.41 0.00 0.00 173.24 174.00 1g91 s TYR 15 N 2.75 3.22 -0.29 2.43 2.02 -1.26 -4.72 117.35 121.49 1g91 s TYR 15 Ca 0.15 0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 57.21 1g91 s TYR 15 Cb -0.15 -2.81 -0.01 0.00 -0.40 0.00 0.00 41.96 38.59 1g91 s TYR 15 CO -0.19 -0.91 1.46 -0.08 -1.57 0.00 0.00 175.55 174.26 1g91 s THR 16 N -3.04 3.91 -1.55 -0.71 -1.32 -1.01 -4.89 115.64 107.02 1g91 s THR 16 Ca 0.55 1.00 -0.10 0.00 -1.21 0.00 0.00 61.69 61.93 1g91 s THR 16 Cb -0.11 -3.97 -0.08 0.00 -1.51 0.00 0.00 72.50 66.83 1g91 s THR 16 CO 0.46 -0.45 2.83 -0.81 -2.21 0.00 0.00 174.62 174.43 1g91 n PRO 17 N 7.62 3.48 -3.71 7.08 -0.04 -1.26 -4.84 135.00 143.33 1g91 n PRO 17 Ca 0.17 -2.17 -0.10 0.00 -0.04 0.00 0.00 63.50 61.36 1g91 n PRO 17 Cb 0.46 -2.81 -0.04 0.00 -0.04 0.00 0.00 33.50 31.07 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 2.38 1.25 -0.49 0.54 1.81 -1.26 -5.11 118.95 118.06 1g91 s ARG 18 Ca 0.65 -0.82 -0.21 0.00 -1.72 0.00 0.00 55.73 53.63 1g91 s ARG 18 Cb 0.17 0.49 0.04 0.00 -0.45 0.00 0.00 34.95 35.21 1g91 s ARG 18 CO -0.06 -0.51 0.71 -1.12 -0.68 0.00 0.00 175.30 173.64 1g91 s SER 19 N -2.85 6.29 -0.15 0.23 0.01 -1.26 -5.03 113.70 110.93 1g91 s SER 19 Ca 0.07 -0.58 -0.09 0.00 1.31 0.00 0.00 55.95 56.66 1g91 s SER 19 Cb 0.00 -2.34 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1g91 s SER 19 CO -0.06 -0.94 0.16 -0.63 0.41 0.00 0.00 173.24 172.18 1g91 s ILE 20 N 3.03 5.42 0.23 1.44 1.09 -1.26 -5.07 121.20 126.08 1g91 s ILE 20 Ca 0.22 0.26 -0.30 0.00 -1.10 0.00 0.00 60.65 59.73 1g91 s ILE 20 Cb -0.16 -3.47 -0.09 0.00 -1.06 0.00 0.00 42.46 37.69 1g91 s ILE 20 CO 0.16 0.51 1.01 -2.16 -0.10 0.00 0.00 174.94 174.36 1g91 s PRO 21 N -0.26 4.75 0.18 2.79 0.04 -1.26 -4.96 135.00 136.28 1g91 s PRO 21 Ca 0.12 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1g91 s PRO 21 Cb -0.12 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.24 1g91 s PRO 21 CO 0.02 0.35 1.71 0.00 0.04 0.00 0.00 177.00 179.11 1g91 h SER 23 N 0.88 0.00 -0.50 0.00 0.87 -2.01 1.77 113.55 114.57 1g91 h SER 23 Ca 0.20 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1g91 h SER 23 Cb 0.30 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1g91 h SER 23 CO -0.01 0.00 0.04 0.18 -0.53 0.00 0.00 176.83 176.52 1g91 n LEU 24 N -3.47 4.98 -4.15 2.23 4.77 -0.75 -4.89 117.00 115.72 1g91 n LEU 24 Ca 0.13 -2.54 -0.21 0.00 -0.03 0.00 0.00 56.01 53.36 1g91 n LEU 24 Cb 0.95 -0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 41.25 1g91 n LEU 24 CO 0.25 0.59 -0.47 -0.76 -1.33 0.00 0.00 177.39 175.66 1g91 s LEU 25 N -2.29 2.15 -0.26 2.23 1.43 0.60 -4.12 118.68 118.44 1g91 s LEU 25 Ca 0.45 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1g91 s LEU 25 Cb 0.34 -0.66 -0.15 0.00 0.03 0.00 0.00 46.19 45.76 1g91 s LEU 25 CO 0.13 0.06 -0.23 1.21 0.23 0.00 0.00 176.35 177.75 1g91 n GLU 26 N 1.98 0.61 -1.93 1.70 2.13 -0.33 -4.87 120.64 119.93 1g91 n GLU 26 Ca -0.17 0.26 -0.03 0.00 0.66 0.00 0.00 57.16 57.88 1g91 n GLU 26 Cb 0.55 -1.53 -0.00 0.00 0.27 0.00 0.00 31.44 30.72 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1g91 n SER 27 N -3.95 -0.40 -3.53 4.31 3.41 -1.22 -4.86 113.62 107.38 1g91 n SER 27 Ca -0.49 -1.41 -0.07 0.00 -0.26 0.00 0.00 58.87 56.64 1g91 n SER 27 Cb 0.91 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.54 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1g91 s TYR 28 N -5.71 -0.28 0.28 7.33 1.13 -1.26 -0.86 117.35 117.97 1g91 s TYR 28 Ca 0.06 0.17 -0.12 0.00 -1.41 0.00 0.00 57.07 55.76 1g91 s TYR 28 Cb -0.01 0.53 0.00 0.00 -1.10 0.00 0.00 41.96 41.39 1g91 s TYR 28 CO 0.04 -0.45 0.52 -0.59 -2.51 0.00 0.00 175.55 172.57 1g91 s PHE 29 N -2.92 0.42 0.28 -3.49 -0.71 -0.03 -4.96 117.98 106.57 1g91 s PHE 29 Ca 0.06 -0.79 0.06 0.00 -1.04 0.00 0.00 56.93 55.22 1g91 s PHE 29 Cb -0.01 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 42.02 1g91 s PHE 29 CO -0.08 -1.09 0.39 -1.21 -1.34 0.00 0.00 175.22 171.90 1g91 s GLU 30 N -3.70 3.26 0.86 1.99 2.02 -1.26 0.75 118.70 122.62 1g91 s GLU 30 Ca 0.22 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 54.19 1g91 s GLU 30 Cb -0.01 -2.83 0.20 0.00 0.10 0.00 0.00 34.13 31.58 1g91 s GLU 30 CO 0.11 0.28 1.17 0.25 0.02 0.00 0.00 175.26 177.09 1g91 n THR 31 N -1.48 0.00 -2.59 3.63 -2.24 -0.64 -4.84 114.28 106.12 1g91 n THR 31 Ca -0.05 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.32 1g91 n THR 31 Cb 0.58 -1.46 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 1g91 n THR 31 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g91 s ASN 32 N -5.35 7.17 0.65 3.42 3.84 -1.26 -4.84 114.94 118.56 1g91 s ASN 32 Ca 0.68 1.66 0.30 0.00 0.21 0.00 0.00 52.86 55.71 1g91 s ASN 32 Cb -0.02 -2.56 1.62 0.00 -0.55 0.00 0.00 41.25 39.74 1g91 s ASN 32 CO 0.47 -0.49 1.94 0.28 -2.79 0.00 0.00 177.10 176.50 1g91 h SER 33 N 7.22 0.00 0.39 -4.21 0.02 -1.96 0.36 113.55 115.36 1g91 h SER 33 Ca -0.33 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 1g91 h SER 33 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1g91 h SER 33 CO 0.86 0.00 -0.42 -0.33 -1.14 0.00 0.00 176.83 175.80 1g91 h GLU 34 N 0.00 0.04 -6.91 3.45 3.07 -1.98 -3.44 114.58 108.80 1g91 h GLU 34 Ca 0.05 -0.02 -0.57 0.00 -0.50 0.00 0.00 59.36 58.32 1g91 h GLU 34 Cb 0.74 -0.00 0.16 0.00 -0.84 0.00 0.00 28.75 28.81 1g91 h GLU 34 CO -0.00 0.45 0.24 0.00 -1.40 0.00 0.00 179.01 178.30 1g91 h SER 36 N 0.51 -0.47 -3.87 0.00 0.02 -1.87 -3.40 113.55 104.48 1g91 h SER 36 Ca -0.49 0.07 -0.69 0.00 -0.84 0.00 0.00 61.79 59.84 1g91 h SER 36 Cb 1.36 0.20 -0.23 0.00 0.14 0.00 0.00 62.40 63.87 1g91 h SER 36 CO 0.51 -0.08 -0.75 -0.54 -1.14 0.00 0.00 176.83 174.83 1g91 s LYS 37 N -3.61 2.66 0.89 3.45 1.02 -1.26 -5.12 119.74 117.77 1g91 s LYS 37 Ca -0.03 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.16 1g91 s LYS 37 Cb 0.02 -2.46 0.13 0.00 -0.52 0.00 0.00 37.83 35.01 1g91 s LYS 37 CO 0.15 0.59 1.21 -1.25 -0.92 0.00 0.00 175.35 175.12 1g91 s PRO 38 N -0.63 1.28 -0.08 -1.68 0.04 -1.26 -4.49 135.00 128.18 1g91 s PRO 38 Ca 0.09 -0.01 -0.32 0.00 0.04 0.00 0.00 61.00 60.81 1g91 s PRO 38 Cb -0.11 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1g91 s PRO 38 CO 0.01 -2.04 1.39 0.20 0.04 0.00 0.00 177.00 176.60 1g91 s GLY 39 N -4.53 -0.36 -0.14 0.56 0.00 -1.26 -4.96 107.32 96.62 1g91 s GLY 39 Ca 0.66 0.58 0.01 0.00 0.00 0.00 0.00 44.72 45.97 1g91 s GLY 39 CO 0.51 2.98 -0.16 0.14 0.00 0.00 0.00 173.10 176.57 1g91 s VAL 40 N -2.05 2.62 -0.26 1.40 1.01 -1.05 -1.62 120.40 120.45 1g91 s VAL 40 Ca 0.22 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 1g91 s VAL 40 Cb 0.04 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1g91 s VAL 40 CO -0.05 0.53 0.22 -0.63 0.00 0.00 0.00 175.10 175.17 1g91 s ILE 41 N 0.64 5.30 -0.20 2.22 1.01 0.23 0.16 121.20 130.55 1g91 s ILE 41 Ca -0.09 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 1g91 s ILE 41 Cb -0.16 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1g91 s ILE 41 CO 0.02 0.27 0.09 -0.36 0.00 0.00 0.00 174.94 174.97 1g91 s PHE 42 N 1.54 3.27 -0.07 3.97 0.40 0.96 -0.85 117.98 127.21 1g91 s PHE 42 Ca 0.09 0.10 -0.11 0.00 -0.60 0.00 0.00 56.93 56.41 1g91 s PHE 42 Cb -0.15 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1g91 s PHE 42 CO 0.08 0.11 0.28 -1.17 0.70 0.00 0.00 175.22 175.22 1g91 s LEU 43 N 0.62 4.41 0.43 -0.37 2.96 -0.04 -2.17 118.68 124.53 1g91 s LEU 43 Ca 0.05 0.70 0.08 0.00 -0.22 0.00 0.00 54.13 54.74 1g91 s LEU 43 Cb -0.13 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 1g91 s LEU 43 CO 0.01 0.34 0.48 0.42 -1.32 0.00 0.00 176.35 176.28 1g91 s THR 44 N -0.90 2.74 -2.00 3.68 -4.23 0.16 -1.19 115.64 113.90 1g91 s THR 44 Ca 0.19 -1.19 0.18 0.00 -1.18 0.00 0.00 61.69 59.69 1g91 s THR 44 Cb -0.14 -2.93 0.51 0.00 1.34 0.00 0.00 72.50 71.27 1g91 s THR 44 CO 0.08 0.00 1.66 1.17 -0.54 0.00 0.00 174.62 177.00 1g91 n LYS 45 N -1.71 0.96 -0.92 3.99 4.81 -1.26 -3.18 118.16 120.86 1g91 n LYS 45 Ca 0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.42 1g91 n LYS 45 Cb 0.61 -1.29 0.23 0.00 0.02 0.00 0.00 35.03 34.60 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 -0.79 2.60 -3.56 1.64 5.02 -1.26 -4.91 118.16 116.91 1g91 n LYS 46 Ca 0.13 -3.07 -0.22 0.00 -2.02 0.00 0.00 58.31 53.13 1g91 n LYS 46 Cb 0.06 -2.02 0.08 0.00 -0.02 0.00 0.00 35.03 33.13 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 -0.79 -0.50 3.05 0.72 0.00 -1.19 -5.00 105.19 101.48 1g91 n GLY 47 Ca 0.40 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 46.44 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 -6.10 0.90 0.05 1.61 3.52 -1.26 -4.98 118.95 112.70 1g91 s ARG 48 Ca 0.45 -0.38 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 1g91 s ARG 48 Cb -0.20 -0.86 -0.03 0.00 -1.56 0.00 0.00 34.95 32.30 1g91 s ARG 48 CO 0.73 0.21 -0.10 -0.98 -0.81 0.00 0.00 175.30 174.35 1g91 s ARG 49 N -0.18 0.64 0.03 5.12 1.70 -1.26 0.37 118.95 125.37 1g91 s ARG 49 Ca 0.03 -0.83 -0.21 0.00 -0.47 0.00 0.00 55.73 54.24 1g91 s ARG 49 Cb -0.05 -0.49 0.05 0.00 -0.57 0.00 0.00 34.95 33.89 1g91 s ARG 49 CO -0.00 0.10 0.48 -0.59 -1.08 0.00 0.00 175.30 174.21 1g91 s PHE 50 N -1.36 -0.37 0.54 5.89 -0.71 -0.92 -4.94 117.98 116.11 1g91 s PHE 50 Ca -0.07 0.44 -0.11 0.00 -1.04 0.00 0.00 56.93 56.16 1g91 s PHE 50 Cb -0.10 0.28 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 1g91 s PHE 50 CO 0.01 -0.59 0.93 0.00 -1.34 0.00 0.00 175.22 174.23 1g91 s ALA 52 N -2.86 0.84 -0.12 0.00 0.00 0.41 -2.41 121.76 117.62 1g91 s ALA 52 Ca 0.53 -1.51 -0.27 0.00 0.00 0.00 0.00 51.96 50.70 1g91 s ALA 52 Cb -0.11 1.28 -0.02 0.00 0.00 0.00 0.00 23.12 24.28 1g91 s ALA 52 CO 0.45 -0.71 0.92 1.21 0.00 0.00 0.00 175.76 177.63 1g91 s ASN 53 N -3.17 7.12 0.00 0.00 2.47 -1.26 -2.53 114.94 117.57 1g91 s ASN 53 Ca 0.33 1.38 0.23 0.00 0.42 0.00 0.00 52.86 55.23 1g91 s ASN 53 Cb 0.03 -2.51 1.05 0.00 -1.45 0.00 0.00 41.25 38.37 1g91 s ASN 53 CO 0.15 -0.39 1.75 -0.81 -3.72 0.00 0.00 177.10 174.08 1g91 n PRO 54 N 4.93 0.11 -0.02 0.43 -0.04 -1.26 -2.55 135.00 136.61 1g91 n PRO 54 Ca 0.06 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1g91 n PRO 54 Cb 0.49 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.43 2.90 -4.64 3.54 7.64 -1.26 -4.77 113.62 115.59 1g91 n SER 55 Ca 0.07 -1.93 -0.43 0.00 1.01 0.00 0.00 58.87 57.60 1g91 n SER 55 Cb 0.24 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.80 6.62 0.31 6.43 2.15 -1.05 -4.87 116.67 124.46 1g91 s ASP 56 Ca 0.27 1.68 0.07 0.00 0.43 0.00 0.00 52.55 55.00 1g91 s ASP 56 Cb 0.19 -2.54 0.84 0.00 -0.30 0.00 0.00 42.92 41.11 1g91 s ASP 56 CO 0.28 -1.04 1.69 0.07 -0.17 0.00 0.00 175.17 176.00 1g91 h LYS 57 N 9.64 0.40 -0.17 4.34 2.10 -1.91 1.30 116.57 132.28 1g91 h LYS 57 Ca -0.32 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.34 1g91 h LYS 57 Cb 1.14 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1g91 h LYS 57 CO 0.99 0.27 0.12 0.37 -2.00 0.00 0.00 179.45 179.20 1g91 h GLN 58 N 0.42 0.12 -0.17 0.07 4.15 -1.96 -1.21 115.11 116.52 1g91 h GLN 58 Ca 0.62 -0.01 -0.22 0.00 0.77 0.00 0.00 58.65 59.82 1g91 h GLN 58 Cb 1.23 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.91 1g91 h GLN 58 CO -0.54 0.08 -0.73 0.28 -1.93 0.00 0.00 178.83 175.98 1g91 h VAL 59 N 0.12 1.28 -0.37 2.39 2.07 0.14 -2.03 116.25 119.84 1g91 h VAL 59 Ca 0.07 -1.93 -0.05 0.00 0.82 0.00 0.00 66.70 65.62 1g91 h VAL 59 Cb 0.15 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1g91 h VAL 59 CO -0.01 0.61 0.03 1.56 0.02 0.00 0.00 177.57 179.79 1g91 h GLN 60 N 0.53 0.57 0.00 1.57 4.20 -0.53 -1.73 115.11 119.73 1g91 h GLN 60 Ca -0.04 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.43 1g91 h GLN 60 Cb 1.36 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 1g91 h GLN 60 CO 0.15 0.57 -0.57 0.28 -0.67 0.00 0.00 178.83 178.60 1g91 h VAL 61 N 0.55 1.16 -0.00 -0.54 2.07 -1.22 -3.12 116.25 115.15 1g91 h VAL 61 Ca 0.12 -2.16 -0.16 0.00 0.82 0.00 0.00 66.70 65.32 1g91 h VAL 61 Cb 0.31 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1g91 h VAL 61 CO 0.01 0.56 -0.77 0.00 0.02 0.00 0.00 177.57 177.39 1g91 h MET 63 N 0.01 0.43 0.22 0.00 3.00 -1.28 0.11 114.93 117.43 1g91 h MET 63 Ca -0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 59.70 59.33 1g91 h MET 63 Cb 1.35 -0.10 0.03 0.00 0.00 0.00 0.00 31.60 32.88 1g91 h MET 63 CO 0.10 0.28 -1.56 -0.09 0.00 0.00 0.00 176.91 175.64 1g91 h ARG 64 N 0.44 0.47 -0.06 -0.10 2.43 -1.68 -3.34 114.38 112.54 1g91 h ARG 64 Ca 0.34 -0.80 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1g91 h ARG 64 Cb 0.72 0.30 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1g91 h ARG 64 CO -0.11 1.38 0.04 1.98 -1.51 0.00 0.00 179.97 181.75 1g91 h MET 65 N 0.09 0.09 -4.67 0.20 4.05 -1.19 -3.27 114.93 110.24 1g91 h MET 65 Ca -0.29 -0.01 -0.61 0.00 -0.28 0.00 0.00 59.70 58.51 1g91 h MET 65 Cb 2.11 -0.02 0.09 0.00 -0.80 0.00 0.00 31.60 32.98 1g91 h MET 65 CO 0.23 0.12 1.89 1.28 0.23 0.00 0.00 176.91 180.65 1g91 n LEU 66 N -5.01 2.71 -4.56 3.39 7.99 0.31 -4.90 117.00 116.94 1g91 n LEU 66 Ca -0.06 -2.26 -0.33 0.00 -0.01 0.00 0.00 56.01 53.35 1g91 n LEU 66 Cb 0.06 -0.84 0.13 0.00 -0.11 0.00 0.00 43.42 42.66 1g91 n LEU 66 CO 0.33 -1.06 0.34 2.29 -1.51 0.00 0.00 177.39 177.79 1g91 n LYS 67 N 7.33 -0.17 -1.57 3.23 2.85 -1.23 -4.68 118.16 123.91 1g91 n LYS 67 Ca 0.47 0.01 -0.14 0.00 -1.05 0.00 0.00 58.31 57.61 1g91 n LYS 67 Cb 0.40 -2.13 -0.10 0.00 -0.65 0.00 0.00 35.03 32.54 1g91 n LYS 67 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1g91 n LEU 68 N -2.49 1.48 -3.53 -5.58 4.77 -1.26 -4.77 117.00 105.62 1g91 n LEU 68 Ca 0.10 -2.13 -0.39 0.00 -0.03 0.00 0.00 56.01 53.56 1g91 n LEU 68 Cb 0.52 -1.71 -0.02 0.00 -2.33 0.00 0.00 43.42 39.88 1g91 n LEU 68 CO 0.50 -3.33 2.78 -0.67 -1.33 0.00 0.00 177.39 175.34 1g91 n ASP 69 N 19.60 5.22 -3.37 -1.43 -0.08 -1.26 -4.93 116.55 130.30 1g91 n ASP 69 Ca 0.43 -2.68 -0.22 0.00 -1.51 0.00 0.00 54.79 50.81 1g91 n ASP 69 Cb 0.46 -1.49 0.17 0.00 2.34 0.00 0.00 41.12 42.60 1g91 n ASP 69 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1g91 n THR 70 N 4.69 0.00 -1.39 5.18 -1.04 -1.26 -4.89 114.28 115.58 1g91 n THR 70 Ca 0.59 -0.55 0.18 0.00 -2.04 0.00 0.00 64.05 62.23 1g91 n THR 70 Cb 0.32 -1.40 -0.06 0.00 -1.82 0.00 0.00 70.33 67.36 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 -3.59 -2.99 0.00 -2.82 1.74 -1.26 -5.02 116.66 102.71 1g91 n ARG 71 Ca 0.12 2.22 0.00 0.00 -0.77 0.00 0.00 57.85 59.42 1g91 n ARG 71 Cb 0.44 -3.58 0.00 0.00 -1.02 0.00 0.00 32.46 28.31 1g91 n ARG 71 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1g91 n ILE 72 N -4.23 0.00 -2.09 0.55 -5.35 -1.26 -5.03 119.36 101.95 1g91 n ILE 72 Ca -0.03 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.04 1g91 n ILE 72 Cb 0.65 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.52 1g91 n ILE 72 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1g91 s LYS 73 N 4.80 2.94 -0.03 6.28 1.02 -1.26 -4.91 119.74 128.58 1g91 s LYS 73 Ca 0.00 0.81 -0.29 0.00 0.02 0.00 0.00 55.97 56.51 1g91 s LYS 73 Cb 0.00 -4.29 0.08 0.00 -0.52 0.00 0.00 37.83 33.10 1g91 s LYS 73 CO 0.00 -2.36 0.74 -0.08 -0.92 0.00 0.00 175.35 172.73 1g91 s THR 74 N 7.96 0.00 -0.09 2.17 -1.32 -1.26 -5.05 115.64 118.05 1g91 s THR 74 Ca 0.68 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.26 1g91 s THR 74 Cb -0.15 -1.00 -0.24 0.00 -1.51 0.00 0.00 72.50 69.61 1g91 s THR 74 CO 0.25 0.00 0.47 0.54 -2.21 0.00 0.00 174.62 173.67 1g91 n ARG 75 N 0.55 0.66 0.05 7.08 1.74 -1.26 -4.96 116.66 120.52 1g91 n ARG 75 Ca -0.16 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1g91 n ARG 75 Cb 0.59 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1g91 n ARG 75 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1g91 n LYS 76 N -3.07 0.00 0.00 5.56 3.00 -1.26 -5.25 118.16 117.14 1g91 n LYS 76 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1g91 n LYS 76 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.10 1g91 n LYS 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49