#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grx s GLN 2 N 0.00 0.19 -0.84 0.03 0.74 -1.26 -4.20 119.66 114.32 1grx s GLN 2 Ca 0.00 0.64 -0.23 0.00 0.05 0.00 0.00 55.36 55.82 1grx s GLN 2 Cb 0.00 -0.08 0.07 0.00 1.10 0.00 0.00 33.01 34.11 1grx s GLN 2 CO 0.00 -0.21 1.20 0.99 -0.55 0.00 0.00 175.29 176.72 1grx s THR 3 N 1.75 4.19 -0.27 -0.34 2.01 -0.19 -0.50 115.64 122.30 1grx s THR 3 Ca -0.05 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1grx s THR 3 Cb -0.11 -4.86 -0.00 0.00 0.01 0.00 0.00 72.50 67.54 1grx s THR 3 CO -0.09 -1.68 0.80 -0.69 -0.69 0.00 0.00 174.62 172.27 1grx s VAL 4 N 4.31 4.82 -0.16 3.82 1.01 0.80 -0.68 120.40 134.32 1grx s VAL 4 Ca 0.34 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 1grx s VAL 4 Cb -0.08 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1grx s VAL 4 CO 0.01 -0.14 0.22 -0.63 0.00 0.00 0.00 175.10 174.56 1grx s ILE 5 N 2.88 5.35 0.10 2.22 1.01 0.43 -0.31 121.20 132.87 1grx s ILE 5 Ca 0.33 0.40 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 1grx s ILE 5 Cb -0.15 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1grx s ILE 5 CO 0.10 0.45 0.54 -0.36 0.00 0.00 0.00 174.94 175.66 1grx s PHE 6 N 0.15 3.71 -0.56 3.97 0.40 -0.71 -0.38 117.98 124.56 1grx s PHE 6 Ca 0.14 1.14 -0.17 0.00 -0.60 0.00 0.00 56.93 57.44 1grx s PHE 6 Cb -0.12 -2.41 -0.16 0.00 0.51 0.00 0.00 43.02 40.84 1grx s PHE 6 CO 0.02 0.52 1.79 0.41 0.70 0.00 0.00 175.22 178.67 1grx n GLY 7 N 1.30 2.19 3.72 4.36 0.00 0.78 -4.46 105.19 113.08 1grx n GLY 7 Ca -0.08 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 1grx n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1grx s ARG 8 N 5.02 2.36 0.00 1.61 1.81 -1.26 -4.10 118.95 124.39 1grx s ARG 8 Ca 0.48 -1.52 0.00 0.00 -1.72 0.00 0.00 55.73 52.98 1grx s ARG 8 Cb 0.12 -2.18 0.00 0.00 -0.45 0.00 0.00 34.95 32.44 1grx s ARG 8 CO 0.11 0.17 0.00 0.45 -0.68 0.00 0.00 175.30 175.35 1grx n SER 9 N -1.09 0.00 0.00 0.23 2.88 -1.26 -4.84 113.62 109.53 1grx n SER 9 Ca -0.04 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1grx n SER 9 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1grx n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1grx n GLY 10 N 0.00 -1.47 1.42 0.46 0.00 -1.26 -4.87 105.19 99.47 1grx n GLY 10 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1grx n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grx h PRO 12 N 2.15 1.05 -0.88 0.00 0.13 -1.98 0.11 132.00 132.58 1grx h PRO 12 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1grx h PRO 12 Cb 0.00 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 30.85 1grx h PRO 12 CO 0.00 0.70 0.55 -0.92 -0.23 0.00 0.00 178.00 178.10 1grx h TYR 13 N 1.09 1.14 0.27 1.56 3.20 -1.99 0.19 116.97 122.42 1grx h TYR 13 Ca 0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1grx h TYR 13 Cb -0.00 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 37.89 1grx h TYR 13 CO -0.00 0.74 -0.13 1.03 -1.64 0.00 0.00 178.16 178.16 1grx h SER 14 N 1.20 -0.30 -0.34 -2.11 0.87 -1.11 -2.75 113.55 109.02 1grx h SER 14 Ca 0.32 -0.22 0.10 0.00 -1.23 0.00 0.00 61.79 60.76 1grx h SER 14 Cb -0.09 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1grx h SER 14 CO -0.06 0.11 0.32 0.58 -0.53 0.00 0.00 176.83 177.24 1grx h VAL 15 N -0.77 0.51 -0.12 2.23 2.07 -0.79 -0.30 116.25 119.07 1grx h VAL 15 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1grx h VAL 15 Cb 0.50 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1grx h VAL 15 CO 0.06 0.00 0.34 -0.09 0.02 0.00 0.00 177.57 177.89 1grx h ARG 16 N 0.00 0.00 -0.05 1.57 2.43 -0.30 -0.45 114.38 117.59 1grx h ARG 16 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1grx h ARG 16 Cb 0.80 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1grx h ARG 16 CO -0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 179.97 178.42 1grx h ALA 17 N 1.44 0.07 -0.42 2.80 0.00 -1.16 0.29 119.26 122.27 1grx h ALA 17 Ca 0.06 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1grx h ALA 17 Cb 0.73 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1grx h ALA 17 CO -0.00 -0.17 0.07 -0.22 0.00 0.00 0.00 179.25 178.93 1grx h LYS 18 N -0.32 0.19 0.64 0.00 1.63 -1.32 -0.59 116.57 116.80 1grx h LYS 18 Ca 0.01 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1grx h LYS 18 Cb 0.51 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1grx h LYS 18 CO 0.01 0.13 -0.47 0.22 -3.45 0.00 0.00 179.45 175.88 1grx h ASP 19 N 0.20 -1.24 -0.79 4.20 3.58 -1.14 -3.01 116.42 118.21 1grx h ASP 19 Ca 0.21 0.08 0.16 0.00 0.42 0.00 0.00 57.03 57.89 1grx h ASP 19 Cb 0.26 0.38 -0.15 0.00 1.72 0.00 0.00 39.33 41.54 1grx h ASP 19 CO -0.28 -0.68 -0.22 0.25 -2.88 0.00 0.00 179.24 175.43 1grx h LEU 20 N -1.07 -0.79 -0.61 2.28 5.85 0.01 0.17 115.31 121.15 1grx h LEU 20 Ca -0.08 0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1grx h LEU 20 Cb 0.88 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 1grx h LEU 20 CO 0.03 -0.27 0.33 0.00 -0.34 0.00 0.00 178.44 178.20 1grx h ALA 21 N 1.73 0.81 0.03 1.25 0.00 -1.12 0.86 119.26 122.81 1grx h ALA 21 Ca 0.37 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.33 1grx h ALA 21 Cb 0.58 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1grx h ALA 21 CO -0.82 0.01 -0.37 1.49 0.00 0.00 0.00 179.25 179.56 1grx h GLU 22 N 0.63 -0.52 0.03 0.00 4.81 -0.55 0.21 114.58 119.18 1grx h GLU 22 Ca 0.27 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.57 1grx h GLU 22 Cb 0.16 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1grx h GLU 22 CO -0.17 -0.35 -0.29 0.87 -0.73 0.00 0.00 179.01 178.34 1grx h LYS 23 N -0.54 -0.44 -0.65 1.92 1.79 -0.32 0.24 116.57 118.56 1grx h LYS 23 Ca 0.05 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1grx h LYS 23 Cb 0.61 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 1grx h LYS 23 CO -0.28 -0.29 0.38 -0.07 -1.08 0.00 0.00 179.45 178.11 1grx h LEU 24 N -0.45 0.59 -0.94 2.94 3.38 -0.88 0.24 115.31 120.19 1grx h LEU 24 Ca 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1grx h LEU 24 Cb 0.52 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1grx h LEU 24 CO -0.23 0.40 -0.02 -1.28 0.09 0.00 0.00 178.44 177.40 1grx h SER 25 N 0.72 0.00 0.57 -0.43 0.87 0.99 -0.71 113.55 115.56 1grx h SER 25 Ca 0.28 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.62 1grx h SER 25 Cb 0.11 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1grx h SER 25 CO -0.14 0.02 -1.59 0.59 -0.53 0.00 0.00 176.83 175.18 1grx n ASN 26 N -3.11 0.78 -0.03 6.23 3.02 0.67 -4.30 115.26 118.52 1grx n ASN 26 Ca 0.02 0.35 -0.15 0.00 -0.03 0.00 0.00 54.58 54.77 1grx n ASN 26 Cb 0.39 0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 39.67 1grx n ASN 26 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1grx h GLU 27 N 0.00 0.24 -7.55 3.52 4.11 -0.01 -3.44 114.58 111.44 1grx h GLU 27 Ca -0.22 -0.20 -0.45 0.00 0.07 0.00 0.00 59.36 58.56 1grx h GLU 27 Cb 1.74 0.04 0.13 0.00 0.50 0.00 0.00 28.75 31.16 1grx h GLU 27 CO 0.05 0.85 0.31 1.03 0.07 0.00 0.00 179.01 181.32 1grx s ARG 28 N -3.58 1.15 0.00 1.06 0.52 -0.32 -5.03 118.95 112.76 1grx s ARG 28 Ca -0.15 -0.59 0.17 0.00 -0.52 0.00 0.00 55.73 54.63 1grx s ARG 28 Cb 0.02 -2.03 0.28 0.00 0.52 0.00 0.00 34.95 33.74 1grx s ARG 28 CO 0.75 -1.98 1.09 -0.25 0.02 0.00 0.00 175.30 174.93 1grx n ASP 29 N -3.39 0.53 0.00 0.23 8.00 -1.26 -4.78 116.55 115.89 1grx n ASP 29 Ca 0.14 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1grx n ASP 29 Cb 0.60 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1grx n ASP 29 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1grx n ASP 30 N 0.32 0.00 -4.71 -2.24 2.03 -1.26 -5.00 116.55 105.69 1grx n ASP 30 Ca 0.01 0.01 -0.41 0.00 0.52 0.00 0.00 54.79 54.92 1grx n ASP 30 Cb 0.98 -0.26 -0.04 0.00 -0.72 0.00 0.00 41.12 41.09 1grx n ASP 30 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1grx s PHE 31 N -0.51 3.60 0.65 -0.67 -0.12 -1.26 -4.97 117.98 114.70 1grx s PHE 31 Ca 0.00 1.41 -0.08 0.00 -0.05 0.00 0.00 56.93 58.21 1grx s PHE 31 Cb 0.00 -2.92 0.02 0.00 -0.63 0.00 0.00 43.02 39.49 1grx s PHE 31 CO 0.00 0.05 0.99 -0.65 -0.05 0.00 0.00 175.22 175.56 1grx s GLN 32 N 0.91 2.77 0.52 1.99 1.11 -1.26 -4.63 119.66 121.06 1grx s GLN 32 Ca 0.43 0.12 0.06 0.00 0.01 0.00 0.00 55.36 55.99 1grx s GLN 32 Cb -0.19 -2.16 0.03 0.00 -1.01 0.00 0.00 33.01 29.68 1grx s GLN 32 CO 0.21 -0.91 0.44 1.52 0.01 0.00 0.00 175.29 176.56 1grx s TYR 33 N -3.17 1.86 -0.15 0.91 -0.85 -1.26 -1.02 117.35 113.67 1grx s TYR 33 Ca 0.56 -0.75 -0.21 0.00 -0.52 0.00 0.00 57.07 56.15 1grx s TYR 33 Cb -0.11 -2.00 0.05 0.00 0.38 0.00 0.00 41.96 40.28 1grx s TYR 33 CO 0.47 -0.46 0.55 -1.14 -1.52 0.00 0.00 175.55 173.46 1grx s GLN 34 N -4.28 0.74 -0.33 -3.49 0.74 0.14 -4.80 119.66 108.38 1grx s GLN 34 Ca 0.41 0.54 -0.08 0.00 0.05 0.00 0.00 55.36 56.28 1grx s GLN 34 Cb -0.03 0.35 0.02 0.00 1.10 0.00 0.00 33.01 34.46 1grx s GLN 34 CO 0.25 -0.14 0.12 -0.47 -0.55 0.00 0.00 175.29 174.50 1grx s TYR 35 N -0.23 3.20 -0.52 1.67 5.04 -1.26 -0.43 117.35 124.83 1grx s TYR 35 Ca -0.04 -1.04 -0.16 0.00 -2.44 0.00 0.00 57.07 53.38 1grx s TYR 35 Cb -0.03 -2.31 0.10 0.00 0.35 0.00 0.00 41.96 40.06 1grx s TYR 35 CO 0.03 -0.62 0.49 0.08 -1.34 0.00 0.00 175.55 174.19 1grx s VAL 36 N 1.50 5.16 0.15 3.14 1.01 0.49 -4.95 120.40 126.91 1grx s VAL 36 Ca 0.02 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 1grx s VAL 36 Cb -0.18 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.86 1grx s VAL 36 CO 0.04 -0.77 1.17 -1.81 0.00 0.00 0.00 175.10 173.73 1grx s ASP 37 N 3.14 7.13 0.55 3.32 1.11 -1.26 -0.16 116.67 130.51 1grx s ASP 37 Ca 0.05 2.14 0.35 0.00 0.18 0.00 0.00 52.55 55.27 1grx s ASP 37 Cb -0.26 -2.60 1.56 0.00 1.07 0.00 0.00 42.92 42.69 1grx s ASP 37 CO 0.05 -0.36 2.04 0.16 1.18 0.00 0.00 175.17 178.25 1grx h ILE 38 N 3.94 0.00 0.00 0.77 3.07 -1.91 -3.30 117.51 120.07 1grx h ILE 38 Ca -0.44 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.60 1grx h ILE 38 Cb 1.21 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 1grx h ILE 38 CO 0.76 0.00 0.00 -2.11 -1.05 0.00 0.00 178.15 175.75 1grx n ARG 39 N -3.01 0.91 0.06 0.16 1.85 -1.26 -0.46 116.66 114.91 1grx n ARG 39 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1grx n ARG 39 Cb 0.25 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 30.61 1grx n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1grx n ALA 40 N 1.15 0.00 0.77 2.89 0.00 -1.25 -4.90 120.51 119.16 1grx n ALA 40 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1grx n ALA 40 Cb 0.45 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.27 1grx n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1grx n GLU 41 N -2.72 0.16 -2.83 0.00 -0.58 -1.16 -4.97 120.64 108.55 1grx n GLU 41 Ca 0.00 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 1grx n GLU 41 Cb 0.00 -1.64 0.03 0.00 -0.57 0.00 0.00 31.44 29.25 1grx n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1grx n GLY 42 N 1.40 0.27 3.67 0.62 0.00 0.39 -4.99 105.19 106.56 1grx n GLY 42 Ca 0.05 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1grx n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1grx s ILE 43 N -3.02 4.89 0.76 -0.61 1.09 -1.23 -5.05 121.20 118.03 1grx s ILE 43 Ca 0.21 1.62 -0.04 0.00 -1.10 0.00 0.00 60.65 61.34 1grx s ILE 43 Cb -0.09 -4.13 0.16 0.00 -1.06 0.00 0.00 42.46 37.34 1grx s ILE 43 CO 0.26 0.04 1.04 0.35 -0.10 0.00 0.00 174.94 176.53 1grx n THR 44 N 4.69 0.00 -0.10 2.92 -2.24 -1.26 -4.90 114.28 113.39 1grx n THR 44 Ca 0.04 -1.37 -0.11 0.00 -2.27 0.00 0.00 64.05 60.33 1grx n THR 44 Cb 0.49 -1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 1grx n THR 44 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1grx h LYS 45 N 0.00 0.56 -0.10 -0.78 3.11 -1.99 -2.08 116.57 115.29 1grx h LYS 45 Ca -0.34 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.29 1grx h LYS 45 Cb 1.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 32.36 1grx h LYS 45 CO 0.33 0.74 0.07 1.49 -2.81 0.00 0.00 179.45 179.26 1grx h GLU 46 N 0.33 0.13 -0.10 1.90 4.81 -1.95 -0.87 114.58 118.83 1grx h GLU 46 Ca 0.08 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1grx h GLU 46 Cb 0.52 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1grx h GLU 46 CO 0.02 0.09 -0.06 0.22 -0.73 0.00 0.00 179.01 178.56 1grx h ASP 47 N 0.13 -0.18 -0.67 1.04 1.82 -1.93 0.39 116.42 117.01 1grx h ASP 47 Ca 0.04 0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.83 1grx h ASP 47 Cb -0.01 0.10 -0.12 0.00 0.68 0.00 0.00 39.33 39.97 1grx h ASP 47 CO -0.01 -0.08 -0.35 -0.07 -1.61 0.00 0.00 179.24 177.13 1grx h LEU 48 N -0.05 -1.22 -0.86 2.28 3.38 -1.12 0.11 115.31 117.83 1grx h LEU 48 Ca 0.06 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.34 1grx h LEU 48 Cb 0.14 0.61 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 1grx h LEU 48 CO -0.14 -0.30 0.54 0.06 0.09 0.00 0.00 178.44 178.69 1grx h GLN 49 N -0.13 0.95 0.02 1.13 3.07 0.13 0.87 115.11 121.15 1grx h GLN 49 Ca 0.26 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.94 1grx h GLN 49 Cb 0.56 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1grx h GLN 49 CO -0.74 0.63 -0.01 0.37 0.09 0.00 0.00 178.83 179.17 1grx h GLN 50 N 0.98 -0.02 0.06 0.06 4.15 0.11 0.21 115.11 120.65 1grx h GLN 50 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1grx h GLN 50 Cb 0.17 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1grx h GLN 50 CO -0.17 0.14 -0.06 -0.22 -1.93 0.00 0.00 178.83 176.59 1grx h LYS 51 N -0.19 -0.13 -0.89 1.69 3.64 -0.72 -1.80 116.57 118.18 1grx h LYS 51 Ca -0.00 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.56 1grx h LYS 51 Cb 0.18 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1grx h LYS 51 CO 0.00 -0.09 0.58 0.00 -2.27 0.00 0.00 179.45 177.68 1grx h ALA 52 N 0.80 2.04 -0.18 5.00 0.00 -0.64 -3.46 119.26 122.82 1grx h ALA 52 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1grx h ALA 52 Cb 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1grx h ALA 52 CO -0.02 -0.31 -0.04 0.41 0.00 0.00 0.00 179.25 179.29 1grx n GLY 53 N -1.48 0.35 3.41 0.00 0.00 0.69 -4.80 105.19 103.37 1grx n GLY 53 Ca 0.18 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1grx n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1grx s LYS 54 N -3.61 0.92 -1.01 1.61 -2.85 -0.86 -5.04 119.74 108.91 1grx s LYS 54 Ca 0.00 0.06 -0.12 0.00 -1.00 0.00 0.00 55.97 54.92 1grx s LYS 54 Cb 0.00 0.42 -0.08 0.00 -2.06 0.00 0.00 37.83 36.12 1grx s LYS 54 CO 0.00 -0.28 2.17 -0.35 0.10 0.00 0.00 175.35 176.99 1grx n PRO 55 N 1.01 2.18 -2.45 1.78 -0.04 -1.26 -4.43 135.00 131.78 1grx n PRO 55 Ca -0.20 -1.76 -0.43 0.00 -0.04 0.00 0.00 63.50 61.07 1grx n PRO 55 Cb 0.57 -2.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1grx n PRO 55 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1grx s VAL 56 N 3.70 4.30 0.00 0.52 0.11 -1.26 -4.88 120.40 122.89 1grx s VAL 56 Ca 0.49 1.60 0.11 0.00 -2.93 0.00 0.00 61.98 61.24 1grx s VAL 56 Cb 0.13 -4.03 -0.16 0.00 -1.53 0.00 0.00 36.38 30.79 1grx s VAL 56 CO 0.00 -0.09 1.09 -0.33 -3.33 0.00 0.00 175.10 172.44 1grx h GLU 57 N 7.86 0.00 -7.45 1.54 4.39 -1.97 -3.43 114.58 115.52 1grx h GLU 57 Ca -0.29 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.95 1grx h GLU 57 Cb 1.12 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.87 1grx h GLU 57 CO 0.93 0.70 0.30 0.95 -1.16 0.00 0.00 179.01 180.73 1grx s THR 58 N -2.75 2.15 0.15 1.13 -4.23 -1.26 -5.11 115.64 105.72 1grx s THR 58 Ca -0.00 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.23 1grx s THR 58 Cb 0.09 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1grx s THR 58 CO 0.81 0.00 0.31 0.68 -0.54 0.00 0.00 174.62 175.88 1grx s VAL 59 N -3.43 0.08 0.94 2.29 -7.23 -1.26 -4.79 120.40 107.00 1grx s VAL 59 Ca 0.63 -1.20 -0.12 0.00 -1.81 0.00 0.00 61.98 59.47 1grx s VAL 59 Cb -0.10 -1.66 0.15 0.00 0.56 0.00 0.00 36.38 35.34 1grx s VAL 59 CO 0.47 -0.34 1.13 -2.16 -0.31 0.00 0.00 175.10 173.88 1grx s PRO 60 N -3.92 0.91 -0.27 4.82 0.04 -1.26 -4.74 135.00 130.58 1grx s PRO 60 Ca 0.13 0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.52 1grx s PRO 60 Cb 0.03 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.82 1grx s PRO 60 CO -0.03 -2.37 -0.09 -0.65 0.04 0.00 0.00 177.00 173.90 1grx s GLN 61 N -5.20 2.34 0.37 4.56 -1.52 -1.26 -3.40 119.66 115.56 1grx s GLN 61 Ca 0.64 -1.29 -0.13 0.00 -1.95 0.00 0.00 55.36 52.63 1grx s GLN 61 Cb -0.16 -2.95 -0.08 0.00 -0.22 0.00 0.00 33.01 29.61 1grx s GLN 61 CO 0.54 -0.56 0.76 0.42 -0.25 0.00 0.00 175.29 176.21 1grx s ILE 62 N 1.15 4.72 -0.01 1.08 1.01 0.08 -1.74 121.20 127.49 1grx s ILE 62 Ca -0.07 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.45 1grx s ILE 62 Cb -0.19 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1grx s ILE 62 CO -0.04 -0.35 -0.21 -0.36 0.00 0.00 0.00 174.94 173.97 1grx s PHE 63 N -2.18 2.47 -0.27 3.97 0.40 0.57 -0.81 117.98 122.14 1grx s PHE 63 Ca 0.53 -0.33 -0.13 0.00 -0.60 0.00 0.00 56.93 56.41 1grx s PHE 63 Cb -0.10 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1grx s PHE 63 CO 0.24 0.09 0.26 0.08 0.70 0.00 0.00 175.22 176.59 1grx s VAL 64 N -0.72 5.26 0.00 -0.44 1.01 0.15 -0.14 120.40 125.52 1grx s VAL 64 Ca 0.11 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1grx s VAL 64 Cb -0.10 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1grx s VAL 64 CO 0.01 0.23 0.00 -0.67 0.00 0.00 0.00 175.10 174.66 1grx n ASP 65 N 5.06 0.00 0.00 3.32 2.03 0.35 -0.65 116.55 126.65 1grx n ASP 65 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1grx n ASP 65 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1grx n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1grx n GLN 66 N 0.00 1.27 -3.09 -0.67 10.64 -1.26 -4.93 117.38 119.33 1grx n GLN 66 Ca 0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 1grx n GLN 66 Cb 0.00 -0.11 -0.06 0.00 -0.86 0.00 0.00 30.24 29.22 1grx n GLN 66 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1grx s GLN 67 N 0.00 4.25 -0.05 2.61 0.74 0.18 -5.02 119.66 122.37 1grx s GLN 67 Ca 0.00 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 1grx s GLN 67 Cb 0.00 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1grx s GLN 67 CO 0.00 -0.20 1.54 -1.58 -0.55 0.00 0.00 175.29 174.50 1grx s HIS 68 N 1.78 2.34 -0.10 1.67 5.65 -1.26 -0.67 115.29 124.69 1grx s HIS 68 Ca 0.31 0.46 -0.05 0.00 0.25 0.00 0.00 55.06 56.02 1grx s HIS 68 Cb -0.16 -3.80 -0.02 0.00 -1.18 0.00 0.00 32.58 27.42 1grx s HIS 68 CO 0.11 -3.23 -0.11 0.82 -0.65 0.00 0.00 174.74 171.69 1grx h ILE 69 N 5.35 0.00 0.00 0.89 1.08 -1.30 -3.47 117.51 120.06 1grx h ILE 69 Ca -0.37 -0.73 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1grx h ILE 69 Cb 1.17 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1grx h ILE 69 CO 0.94 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 179.01 1grx n GLY 70 N 1.69 0.59 3.88 5.37 0.00 -0.11 -4.72 105.19 111.89 1grx n GLY 70 Ca -0.04 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 1grx n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1grx s GLY 71 N 0.00 1.73 0.23 -0.02 0.00 -1.22 -0.74 107.32 107.30 1grx s GLY 71 Ca 0.00 -1.08 -0.07 0.00 0.00 0.00 0.00 44.72 43.57 1grx s GLY 71 CO 0.00 -0.34 1.74 -1.82 0.00 0.00 0.00 173.10 172.68 1grx h TYR 72 N -1.68 0.49 0.53 1.90 3.20 -1.82 0.12 116.97 119.71 1grx h TYR 72 Ca -0.45 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1grx h TYR 72 Cb 1.26 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 1grx h TYR 72 CO -1.04 0.10 -0.30 1.79 -1.64 0.00 0.00 178.16 177.07 1grx h THR 73 N 0.46 0.39 -0.78 1.81 1.35 -1.93 0.13 112.91 114.34 1grx h THR 73 Ca 0.36 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.33 1grx h THR 73 Cb 0.49 0.39 -0.08 0.00 -1.73 0.00 0.00 68.15 67.23 1grx h THR 73 CO -0.35 0.00 0.41 0.44 -0.25 0.00 0.00 175.52 175.77 1grx h ASP 74 N -0.78 0.55 0.06 5.36 3.32 -1.83 0.66 116.42 123.75 1grx h ASP 74 Ca -0.07 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1grx h ASP 74 Cb 0.62 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1grx h ASP 74 CO 0.09 0.29 -0.03 0.15 -1.72 0.00 0.00 179.24 178.02 1grx h PHE 75 N 0.67 -0.07 -0.73 4.55 3.57 -0.59 -0.15 116.94 124.19 1grx h PHE 75 Ca 0.39 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.02 1grx h PHE 75 Cb 0.43 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 1grx h PHE 75 CO -0.09 0.42 0.30 0.00 -2.23 0.00 0.00 178.31 176.70 1grx h ALA 76 N 0.30 1.01 0.43 2.41 0.00 -0.33 0.83 119.26 123.92 1grx h ALA 76 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1grx h ALA 76 Cb 0.52 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1grx h ALA 76 CO 0.01 -0.19 -0.21 0.00 0.00 0.00 0.00 179.25 178.87 1grx h ALA 77 N 1.52 -0.58 -0.10 0.00 0.00 -0.78 -1.03 119.26 118.29 1grx h ALA 77 Ca 0.39 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1grx h ALA 77 Cb 0.56 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1grx h ALA 77 CO -0.37 -0.82 -0.44 2.35 0.00 0.00 0.00 179.25 179.96 1grx h TRP 78 N -0.59 -1.32 -0.64 0.00 7.01 -0.06 0.40 115.95 120.76 1grx h TRP 78 Ca -0.06 0.05 0.10 0.00 2.11 0.00 0.00 58.89 61.09 1grx h TRP 78 Cb 0.45 0.59 -0.12 0.00 -2.10 0.00 0.00 29.16 27.98 1grx h TRP 78 CO -0.04 -0.45 -0.39 0.28 -2.79 0.00 0.00 178.44 175.05 1grx h VAL 79 N -0.48 0.11 0.00 2.65 2.07 -0.84 0.30 116.25 120.06 1grx h VAL 79 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1grx h VAL 79 Cb 0.55 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1grx h VAL 79 CO -0.35 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.53 1grx n LYS 80 N -5.42 0.20 -0.11 1.57 5.02 -0.39 -0.28 118.16 118.73 1grx n LYS 80 Ca 0.04 0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 1grx n LYS 80 Cb 0.36 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 1grx n LYS 80 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1grx n GLU 81 N -1.32 0.65 -0.11 1.97 2.13 0.83 -3.85 120.64 120.94 1grx n GLU 81 Ca 0.07 0.20 -0.20 0.00 0.66 0.00 0.00 57.16 57.89 1grx n GLU 81 Cb 0.15 -1.54 -0.08 0.00 0.27 0.00 0.00 31.44 30.23 1grx n GLU 81 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1grx n ASN 82 N -3.50 1.90 -0.07 4.31 0.23 0.08 -3.92 115.26 114.29 1grx n ASN 82 Ca -0.45 0.41 -0.09 0.00 -0.53 0.00 0.00 54.58 53.91 1grx n ASN 82 Cb 0.97 -0.86 -0.06 0.00 -2.08 0.00 0.00 39.78 37.75 1grx n ASN 82 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1grx h LEU 83 N -1.00 0.00 -2.07 -4.53 3.38 -0.83 -3.21 115.31 107.05 1grx h LEU 83 Ca -0.36 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.20 1grx h LEU 83 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1grx h LEU 83 CO -0.22 0.89 -0.08 -0.78 0.09 0.00 0.00 178.44 178.34 1grx h ASP 84 N -1.00 0.00 0.00 -0.43 1.82 -1.40 -3.49 116.42 111.92 1grx h ASP 84 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1grx h ASP 84 Cb 0.64 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1grx h ASP 84 CO -0.04 0.08 0.00 0.00 -1.61 0.00 0.00 179.24 177.67