#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gl4 n GLY 3 N 0.00 0.37 0.08 0.62 0.00 -1.26 -4.84 105.19 100.15 3gl4 n GLY 3 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 3gl4 n GLY 3 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gl4 h GLY 4 N 0.00 0.00 1.19 -0.02 0.00 -1.78 -3.35 103.07 99.10 3gl4 h GLY 4 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.26 3gl4 h GLY 4 CO 0.21 0.00 0.31 -2.55 0.00 0.00 0.00 176.54 174.52 3gl4 h PRO 5 N -1.00 0.00 -0.32 4.80 0.11 -1.89 -1.12 132.00 132.57 3gl4 h PRO 5 Ca -0.09 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.04 3gl4 h PRO 5 Cb 0.87 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 3gl4 h PRO 5 CO -0.05 0.00 0.17 0.00 -0.21 0.00 0.00 178.00 177.90 3gl4 h ALA 6 N 1.69 0.40 -0.75 -0.75 0.00 -1.93 -2.94 119.26 114.97 3gl4 h ALA 6 Ca 0.16 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3gl4 h ALA 6 Cb 0.78 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3gl4 h ALA 6 CO -0.00 -0.21 0.36 -0.07 0.00 0.00 0.00 179.25 179.33 3gl4 h LEU 7 N 0.35 0.45 0.00 0.00 3.38 -1.34 -2.22 115.31 115.93 3gl4 h LEU 7 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gl4 h LEU 7 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gl4 h LEU 7 CO -0.09 0.24 0.00 0.49 0.09 0.00 0.00 178.44 179.17 3gl4 n PHE 8 N -4.88 0.00 0.81 1.13 3.72 -1.11 -3.29 117.46 113.84 3gl4 n PHE 8 Ca 0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.62 3gl4 n PHE 8 Cb 0.32 -0.10 0.45 0.00 -0.94 0.00 0.00 39.48 39.21 3gl4 n PHE 8 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3gl4 n GLN 9 N -1.10 0.19 -3.16 -1.08 6.02 -0.83 -4.72 117.38 112.69 3gl4 n GLN 9 Ca 0.15 0.13 -0.18 0.00 -0.01 0.00 0.00 57.00 57.09 3gl4 n GLN 9 Cb 0.12 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.88 3gl4 n GLN 9 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3gl4 s SER 10 N -2.70 5.43 -0.21 1.08 1.04 -1.21 -4.90 113.70 112.23 3gl4 s SER 10 Ca 0.15 -0.57 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 3gl4 s SER 10 Cb 0.13 -0.49 -0.00 0.00 0.10 0.00 0.00 66.02 65.75 3gl4 s SER 10 CO 0.30 -0.82 0.89 -1.81 0.98 0.00 0.00 173.24 172.78 3gl4 s ASP 11 N -4.34 6.95 0.45 7.02 1.11 -1.26 -4.37 116.67 122.23 3gl4 s ASP 11 Ca 0.54 1.18 0.07 0.00 0.18 0.00 0.00 52.55 54.52 3gl4 s ASP 11 Cb -0.08 -2.47 -0.01 0.00 1.07 0.00 0.00 42.92 41.43 3gl4 s ASP 11 CO 0.32 -0.51 0.33 -0.04 1.18 0.00 0.00 175.17 176.45 3gl4 s MET 12 N 2.67 2.36 0.44 8.23 -1.94 -1.16 -4.96 119.30 124.94 3gl4 s MET 12 Ca 0.39 -1.77 0.03 0.00 -1.71 0.00 0.00 55.69 52.62 3gl4 s MET 12 Cb -0.16 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 3gl4 s MET 12 CO 0.09 -0.30 0.06 0.95 -0.01 0.00 0.00 175.02 175.81 3gl4 s THR 13 N -2.60 1.02 0.01 2.05 -4.23 -0.04 -2.22 115.64 109.63 3gl4 s THR 13 Ca 0.42 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.72 3gl4 s THR 13 Cb -0.01 -2.39 0.04 0.00 1.34 0.00 0.00 72.50 71.49 3gl4 s THR 13 CO 0.24 0.00 0.45 0.72 -0.54 0.00 0.00 174.62 175.49 3gl4 s PHE 14 N -3.04 -0.34 -0.03 3.99 -0.71 -0.20 -1.90 117.98 115.75 3gl4 s PHE 14 Ca 0.19 0.45 0.01 0.00 -1.04 0.00 0.00 56.93 56.55 3gl4 s PHE 14 Cb 0.04 0.24 0.01 0.00 -1.21 0.00 0.00 43.02 42.10 3gl4 s PHE 14 CO 0.10 -0.54 -0.05 0.21 -1.34 0.00 0.00 175.22 173.61 3gl4 s LYS 15 N -1.87 0.63 -0.05 1.99 2.47 0.27 -1.56 119.74 121.62 3gl4 s LYS 15 Ca -0.09 -0.13 0.02 0.00 -1.56 0.00 0.00 55.97 54.21 3gl4 s LYS 15 Cb -0.02 -0.64 0.01 0.00 -1.46 0.00 0.00 37.83 35.72 3gl4 s LYS 15 CO 0.02 0.00 -0.10 0.42 0.16 0.00 0.00 175.35 175.86 3gl4 s ILE 16 N 0.47 0.94 -0.19 5.43 1.01 0.10 0.12 121.20 129.09 3gl4 s ILE 16 Ca -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3gl4 s ILE 16 Cb -0.09 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.54 3gl4 s ILE 16 CO -0.00 0.31 -0.15 -0.36 0.00 0.00 0.00 174.94 174.74 3gl4 s PHE 17 N 0.60 2.59 -0.14 3.97 0.40 0.65 -0.62 117.98 125.43 3gl4 s PHE 17 Ca -0.11 -1.62 -0.02 0.00 -0.60 0.00 0.00 56.93 54.58 3gl4 s PHE 17 Cb -0.14 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 3gl4 s PHE 17 CO 0.02 -0.77 -0.08 0.42 0.70 0.00 0.00 175.22 175.51 3gl4 s ILE 18 N 1.34 3.49 -0.31 0.64 1.01 0.39 -0.33 121.20 127.43 3gl4 s ILE 18 Ca 0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 3gl4 s ILE 18 Cb -0.15 -2.49 0.05 0.00 0.01 0.00 0.00 42.46 39.88 3gl4 s ILE 18 CO -0.10 0.51 0.02 -0.62 0.00 0.00 0.00 174.94 174.76 3gl4 s ASP 19 N 0.28 4.95 0.22 3.58 2.15 0.14 -2.23 116.67 125.77 3gl4 s ASP 19 Ca -0.06 -1.32 0.10 0.00 0.43 0.00 0.00 52.55 51.70 3gl4 s ASP 19 Cb -0.15 -1.73 -0.04 0.00 -0.30 0.00 0.00 42.92 40.70 3gl4 s ASP 19 CO 0.04 -0.28 -0.13 -0.83 -0.17 0.00 0.00 175.17 173.80 3gl4 s GLY 20 N 1.30 1.74 -0.01 2.66 0.00 0.26 -1.15 107.32 112.13 3gl4 s GLY 20 Ca -0.04 -1.64 -0.02 0.00 0.00 0.00 0.00 44.72 43.03 3gl4 s GLY 20 CO -0.01 -1.68 0.04 -1.83 0.00 0.00 0.00 173.10 169.61 3gl4 s GLU 21 N -3.13 0.16 -0.10 2.90 -1.05 -0.35 -0.80 118.70 116.33 3gl4 s GLU 21 Ca 0.27 -0.14 -0.02 0.00 -0.15 0.00 0.00 54.97 54.92 3gl4 s GLU 21 Cb -0.07 0.06 0.04 0.00 -0.44 0.00 0.00 34.13 33.72 3gl4 s GLU 21 CO 0.15 -0.03 0.03 0.54 0.95 0.00 0.00 175.26 176.91 3gl4 s VAL 22 N -0.47 0.22 -1.46 1.83 0.11 -0.31 0.13 120.40 120.45 3gl4 s VAL 22 Ca -0.05 0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 3gl4 s VAL 22 Cb -0.03 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.33 3gl4 s VAL 22 CO -0.00 0.09 0.88 0.59 -3.33 0.00 0.00 175.10 173.33 3gl4 n ASN 23 N 5.18 -5.38 0.00 3.54 5.03 -1.05 -1.84 115.26 120.75 3gl4 n ASN 23 Ca -0.06 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.84 3gl4 n ASN 23 Cb 0.49 -4.30 0.00 0.00 -1.02 0.00 0.00 39.78 34.95 3gl4 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gl4 n GLY 24 N -1.66 0.82 3.40 7.41 0.00 -1.26 -5.02 105.19 108.88 3gl4 n GLY 24 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3gl4 n GLY 24 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gl4 s GLN 25 N -0.05 3.52 0.33 1.61 0.74 -0.77 -5.08 119.66 119.96 3gl4 s GLN 25 Ca 0.00 -0.56 -0.27 0.00 0.05 0.00 0.00 55.36 54.58 3gl4 s GLN 25 Cb 0.00 -3.26 -0.09 0.00 1.10 0.00 0.00 33.01 30.76 3gl4 s GLN 25 CO 0.00 -0.23 1.09 0.15 -0.55 0.00 0.00 175.29 175.76 3gl4 s LYS 26 N 1.57 4.45 0.05 1.67 -0.14 -1.26 -1.16 119.74 124.91 3gl4 s LYS 26 Ca 0.06 1.73 -0.04 0.00 -1.36 0.00 0.00 55.97 56.35 3gl4 s LYS 26 Cb -0.15 -2.96 -0.02 0.00 -1.68 0.00 0.00 37.83 33.02 3gl4 s LYS 26 CO 0.02 0.06 0.06 -0.59 -0.76 0.00 0.00 175.35 174.14 3gl4 s PHE 27 N -1.33 0.30 -0.03 3.18 -0.71 0.02 -4.96 117.98 114.45 3gl4 s PHE 27 Ca 0.49 -0.71 0.03 0.00 -1.04 0.00 0.00 56.93 55.71 3gl4 s PHE 27 Cb -0.29 -0.21 0.00 0.00 -1.21 0.00 0.00 43.02 41.31 3gl4 s PHE 27 CO 0.37 -0.39 -0.11 0.99 -1.34 0.00 0.00 175.22 174.74 3gl4 s THR 28 N -3.20 0.94 -0.06 -4.49 2.01 -1.26 0.90 115.64 110.48 3gl4 s THR 28 Ca 0.00 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3gl4 s THR 28 Cb 0.02 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.70 3gl4 s THR 28 CO -0.07 0.29 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.35 3gl4 s ILE 29 N 0.21 1.46 -0.00 1.82 1.01 -0.95 0.96 121.20 125.72 3gl4 s ILE 29 Ca -0.04 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 59.96 3gl4 s ILE 29 Cb -0.10 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 3gl4 s ILE 29 CO 0.01 0.42 -0.16 -0.69 0.00 0.00 0.00 174.94 174.52 3gl4 s VAL 30 N 0.28 2.94 0.03 2.92 1.01 0.13 -0.46 120.40 127.24 3gl4 s VAL 30 Ca -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 3gl4 s VAL 30 Cb -0.14 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3gl4 s VAL 30 CO 0.04 0.46 -0.02 0.00 0.00 0.00 0.00 175.10 175.58 3gl4 s ALA 31 N -0.83 0.16 0.05 5.51 0.00 0.21 -1.08 121.76 125.78 3gl4 s ALA 31 Ca 0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3gl4 s ALA 31 Cb -0.11 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3gl4 s ALA 31 CO 0.03 -0.21 -0.00 0.16 0.00 0.00 0.00 175.76 175.75 3gl4 s ASP 32 N -1.74 0.43 0.00 0.00 -4.77 -0.64 0.01 116.67 109.96 3gl4 s ASP 32 Ca -0.11 -0.93 0.00 0.00 -3.30 0.00 0.00 52.55 48.20 3gl4 s ASP 32 Cb -0.06 0.21 0.00 0.00 -1.09 0.00 0.00 42.92 41.98 3gl4 s ASP 32 CO -0.03 -0.60 0.00 0.61 0.70 0.00 0.00 175.17 175.85 3gl4 n GLY 33 N 0.16 1.14 3.01 2.12 0.00 -0.60 0.14 105.19 111.15 3gl4 n GLY 33 Ca -0.15 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 3gl4 n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gl4 s SER 34 N -0.74 0.49 -0.33 1.61 0.15 -1.12 -1.04 113.70 112.72 3gl4 s SER 34 Ca 0.00 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 3gl4 s SER 34 Cb 0.00 0.08 0.13 0.00 -1.71 0.00 0.00 66.02 64.51 3gl4 s SER 34 CO 0.00 -0.27 0.20 -0.55 1.20 0.00 0.00 173.24 173.82 3gl4 s SER 35 N -1.53 3.01 0.15 5.45 0.15 -0.94 -3.23 113.70 116.75 3gl4 s SER 35 Ca -0.13 -1.84 -0.31 0.00 0.70 0.00 0.00 55.95 54.37 3gl4 s SER 35 Cb -0.10 -0.30 -0.09 0.00 -1.71 0.00 0.00 66.02 63.82 3gl4 s SER 35 CO -0.01 -0.35 1.45 -0.54 1.20 0.00 0.00 173.24 174.99 3gl4 s LYS 36 N 1.44 4.28 0.17 5.44 1.02 -1.26 -2.96 119.74 127.87 3gl4 s LYS 36 Ca 0.15 2.20 -0.31 0.00 0.02 0.00 0.00 55.97 58.02 3gl4 s LYS 36 Cb -0.20 -3.20 -0.17 0.00 -0.52 0.00 0.00 37.83 33.74 3gl4 s LYS 36 CO -0.12 -0.48 0.85 0.34 -0.92 0.00 0.00 175.35 175.03 3gl4 n PHE 37 N 3.66 0.41 0.45 3.18 7.35 -1.26 0.15 117.46 131.39 3gl4 n PHE 37 Ca 0.11 0.88 0.00 0.00 -0.76 0.00 0.00 57.45 57.68 3gl4 n PHE 37 Cb 0.41 -2.10 0.10 0.00 0.35 0.00 0.00 39.48 38.24 3gl4 n PHE 37 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3gl4 n PRO 38 N 1.24 1.94 0.00 -7.13 -0.04 -1.26 -5.01 135.00 124.74 3gl4 n PRO 38 Ca 0.16 -0.88 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 3gl4 n PRO 38 Cb 0.23 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3gl4 n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3gl4 n HIS 39 N 0.15 -1.07 -0.81 0.54 8.25 0.39 -4.58 115.22 118.09 3gl4 n HIS 39 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3gl4 n HIS 39 Cb 0.58 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.83 3gl4 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gl4 n GLY 40 N 0.00 1.06 2.47 -1.41 0.00 0.11 -4.66 105.19 102.76 3gl4 n GLY 40 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3gl4 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gl4 n ASP 41 N 0.00 -1.35 -4.72 1.61 -0.08 -1.24 -1.33 116.55 109.44 3gl4 n ASP 41 Ca 0.00 -2.81 -0.27 0.00 -1.51 0.00 0.00 54.79 50.21 3gl4 n ASP 41 Cb 0.00 0.39 -0.07 0.00 2.34 0.00 0.00 41.12 43.78 3gl4 n ASP 41 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3gl4 s PHE 42 N -0.09 2.97 0.21 -0.67 -0.71 -0.39 -4.89 117.98 114.41 3gl4 s PHE 42 Ca 0.33 -0.08 0.11 0.00 -1.04 0.00 0.00 56.93 56.24 3gl4 s PHE 42 Cb 0.13 -1.44 -0.04 0.00 -1.21 0.00 0.00 43.02 40.46 3gl4 s PHE 42 CO -0.16 0.52 -0.20 -0.80 -1.34 0.00 0.00 175.22 173.24 3gl4 s ASN 43 N -2.99 3.65 -0.00 1.98 0.02 -1.20 -0.68 114.94 115.72 3gl4 s ASN 43 Ca 0.29 -0.84 0.00 0.00 -1.02 0.00 0.00 52.86 51.29 3gl4 s ASN 43 Cb -0.10 -0.37 -0.00 0.00 0.02 0.00 0.00 41.25 40.81 3gl4 s ASN 43 CO 0.20 0.10 -0.01 0.54 0.02 0.00 0.00 177.10 177.95 3gl4 s VAL 44 N -1.85 0.11 -0.25 1.60 0.11 -0.73 -2.81 120.40 116.58 3gl4 s VAL 44 Ca 0.24 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.16 3gl4 s VAL 44 Cb -0.07 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3gl4 s VAL 44 CO 0.12 0.03 0.07 -2.28 -3.33 0.00 0.00 175.10 169.72 3gl4 s HIS 45 N 0.00 3.10 -0.07 1.54 2.46 0.12 -1.43 115.29 121.01 3gl4 s HIS 45 Ca 0.00 -0.38 0.03 0.00 0.47 0.00 0.00 55.06 55.18 3gl4 s HIS 45 Cb -0.01 -2.23 -0.02 0.00 -0.13 0.00 0.00 32.58 30.18 3gl4 s HIS 45 CO -0.00 -0.32 -0.14 0.00 -2.47 0.00 0.00 174.74 171.81 3gl4 s ALA 46 N 1.55 2.66 -0.03 1.58 0.00 0.98 -1.62 121.76 126.88 3gl4 s ALA 46 Ca 0.06 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3gl4 s ALA 46 Cb -0.15 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.95 3gl4 s ALA 46 CO 0.04 0.48 -0.06 0.08 0.00 0.00 0.00 175.76 176.31 3gl4 s VAL 47 N -0.47 0.55 -0.45 0.00 1.01 -0.24 -0.72 120.40 120.08 3gl4 s VAL 47 Ca 0.06 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 3gl4 s VAL 47 Cb -0.12 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.76 3gl4 s VAL 47 CO 0.02 0.20 0.99 0.00 0.00 0.00 0.00 175.10 176.31 3gl4 h GLU 49 N 9.02 0.00 -1.04 0.00 4.81 0.27 -3.10 114.58 124.54 3gl4 h GLU 49 Ca -0.24 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.48 3gl4 h GLU 49 Cb 1.07 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.18 3gl4 h GLU 49 CO 1.05 0.00 0.66 0.25 -0.73 0.00 0.00 179.01 180.24 3gl4 n THR 50 N -2.38 3.16 0.00 0.32 -2.24 -1.23 -4.98 114.28 106.93 3gl4 n THR 50 Ca 0.04 -2.06 0.00 0.00 -2.27 0.00 0.00 64.05 59.76 3gl4 n THR 50 Cb 0.34 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 3gl4 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gl4 n GLY 51 N -0.88 0.85 3.22 3.38 0.00 -1.17 -4.80 105.19 105.79 3gl4 n GLY 51 Ca 0.55 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3gl4 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gl4 s LYS 52 N 0.00 3.14 0.22 1.61 2.47 -1.26 -4.22 119.74 121.70 3gl4 s LYS 52 Ca 0.00 -0.78 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 3gl4 s LYS 52 Cb 0.00 -2.60 -0.09 0.00 -1.46 0.00 0.00 37.83 33.68 3gl4 s LYS 52 CO 0.00 -0.05 1.37 -1.17 0.16 0.00 0.00 175.35 175.66 3gl4 s LEU 53 N 0.95 4.40 -0.07 5.43 2.96 -1.26 -4.91 118.68 126.18 3gl4 s LEU 53 Ca -0.03 2.52 0.10 0.00 -0.22 0.00 0.00 54.13 56.49 3gl4 s LEU 53 Cb -0.15 -3.61 0.40 0.00 0.50 0.00 0.00 46.19 43.33 3gl4 s LEU 53 CO -0.03 -0.61 1.22 -0.81 -1.32 0.00 0.00 176.35 174.81 3gl4 n PRO 54 N 2.55 2.60 -4.12 0.98 -0.04 -1.26 -4.86 135.00 130.86 3gl4 n PRO 54 Ca 0.07 -1.58 -0.12 0.00 -0.04 0.00 0.00 63.50 61.82 3gl4 n PRO 54 Cb 0.42 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.15 3gl4 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gl4 s MET 55 N -1.74 1.50 0.39 0.54 0.23 -1.26 -4.83 119.30 114.12 3gl4 s MET 55 Ca 0.28 -1.56 -0.27 0.00 -1.03 0.00 0.00 55.69 53.12 3gl4 s MET 55 Cb 0.19 0.38 -0.11 0.00 -1.53 0.00 0.00 34.83 33.76 3gl4 s MET 55 CO 0.13 -0.57 1.34 0.45 -2.03 0.00 0.00 175.02 174.33 3gl4 n SER 56 N -0.62 2.96 0.25 -1.18 2.88 -0.01 -4.89 113.62 113.01 3gl4 n SER 56 Ca 0.01 1.17 0.16 0.00 -1.33 0.00 0.00 58.87 58.88 3gl4 n SER 56 Cb 0.63 -1.53 0.65 0.00 -0.75 0.00 0.00 64.21 63.21 3gl4 n SER 56 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 3gl4 h TRP 57 N 2.43 0.00 -0.14 0.66 4.06 -1.95 -3.37 115.95 117.64 3gl4 h TRP 57 Ca -0.48 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.50 3gl4 h TRP 57 Cb 1.28 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.41 3gl4 h TRP 57 CO 0.50 0.00 -0.04 0.87 -3.56 0.00 0.00 178.44 176.21 3gl4 h LYS 58 N 0.00 -0.01 0.00 0.49 1.79 -1.92 -1.64 116.57 115.28 3gl4 h LYS 58 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gl4 h LYS 58 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 3gl4 h LYS 58 CO 0.00 -0.01 0.00 -2.30 -1.08 0.00 0.00 179.45 176.06 3gl4 n PRO 59 N -5.18 0.11 0.18 3.15 -0.02 -1.26 -1.06 135.00 130.93 3gl4 n PRO 59 Ca -0.04 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 3gl4 n PRO 59 Cb 0.11 -1.77 0.48 0.00 -0.02 0.00 0.00 33.50 32.29 3gl4 n PRO 59 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3gl4 h ILE 60 N 0.00 0.00 -0.63 4.25 1.08 -1.51 -3.39 117.51 117.30 3gl4 h ILE 60 Ca 0.00 -0.50 0.07 0.00 -0.39 0.00 0.00 64.86 64.05 3gl4 h ILE 60 Cb 0.19 1.41 -0.10 0.00 -3.07 0.00 0.00 36.82 35.25 3gl4 h ILE 60 CO 0.00 0.00 -0.54 0.00 -0.69 0.00 0.00 178.15 176.92 3gl4 n HIS 62 N -5.35 0.00 0.01 0.00 1.44 -1.26 -2.34 115.22 107.72 3gl4 n HIS 62 Ca -0.01 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 3gl4 n HIS 62 Cb 0.32 -0.36 -0.14 0.00 0.12 0.00 0.00 29.99 29.93 3gl4 n HIS 62 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3gl4 h LEU 63 N 0.00 0.40 -6.49 2.39 3.38 -0.45 -3.44 115.31 111.09 3gl4 h LEU 63 Ca 0.00 -0.87 -0.77 0.00 0.09 0.00 0.00 57.88 56.34 3gl4 h LEU 63 Cb 0.04 -0.13 -0.18 0.00 0.09 0.00 0.00 40.66 40.48 3gl4 h LEU 63 CO 0.00 1.72 1.80 2.30 0.09 0.00 0.00 178.44 184.35 3gl4 n ILE 64 N -3.77 4.59 0.00 1.22 -5.35 -0.99 -5.09 119.36 109.97 3gl4 n ILE 64 Ca -0.28 -4.70 0.00 0.00 -0.27 0.00 0.00 62.75 57.50 3gl4 n ILE 64 Cb 0.96 -2.29 0.00 0.00 -1.74 0.00 0.00 39.64 36.57 3gl4 n ILE 64 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3gl4 n GLU 68 N 3.25 0.00 0.24 6.28 -0.58 -1.26 -4.91 120.64 123.65 3gl4 n GLU 68 Ca 0.38 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 57.28 3gl4 n GLU 68 Cb 0.35 0.00 0.79 0.00 -0.57 0.00 0.00 31.44 32.01 3gl4 n GLU 68 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3gl4 h PRO 69 N 0.00 0.00 -0.00 3.49 0.13 -1.98 -1.02 132.00 132.62 3gl4 h PRO 69 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gl4 h PRO 69 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gl4 h PRO 69 CO 0.00 0.00 -0.08 1.97 -0.23 0.00 0.00 178.00 179.66 3gl4 n PHE 70 N -2.68 0.00 0.16 1.56 -1.74 -1.26 -2.45 117.46 111.05 3gl4 n PHE 70 Ca -0.01 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.99 3gl4 n PHE 70 Cb 0.14 -0.25 0.21 0.00 1.52 0.00 0.00 39.48 41.11 3gl4 n PHE 70 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 3gl4 n PHE 71 N -1.14 0.54 -2.49 2.97 3.72 -0.39 -4.86 117.46 115.81 3gl4 n PHE 71 Ca 0.13 -0.30 -0.42 0.00 -0.05 0.00 0.00 57.45 56.81 3gl4 n PHE 71 Cb 0.27 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 3gl4 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gl4 s ALA 72 N -1.33 3.47 -0.25 4.37 0.00 -1.03 0.05 121.76 127.05 3gl4 s ALA 72 Ca 0.37 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3gl4 s ALA 72 Cb 0.21 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 3gl4 s ALA 72 CO 0.29 -0.71 1.75 0.50 0.00 0.00 0.00 175.76 177.59 3gl4 s ARG 73 N 2.09 3.59 0.42 0.00 3.52 -0.94 -4.76 118.95 122.87 3gl4 s ARG 73 Ca 0.55 1.65 -0.04 0.00 -0.13 0.00 0.00 55.73 57.76 3gl4 s ARG 73 Cb -0.24 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 28.98 3gl4 s ARG 73 CO 0.22 -1.55 0.70 0.71 -0.81 0.00 0.00 175.30 174.57 3gl4 s TYR 74 N 6.03 3.53 0.25 5.12 1.51 -1.26 -1.99 117.35 130.54 3gl4 s TYR 74 Ca 0.78 0.69 0.06 0.00 -1.01 0.00 0.00 57.07 57.59 3gl4 s TYR 74 Cb -0.25 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 3gl4 s TYR 74 CO 0.32 -0.11 0.30 -1.25 -1.11 0.00 0.00 175.55 173.70 3gl4 s PRO 75 N -4.42 3.23 0.54 -1.71 0.04 -1.26 -4.96 135.00 126.45 3gl4 s PRO 75 Ca 0.45 -0.89 -0.21 0.00 0.04 0.00 0.00 61.00 60.40 3gl4 s PRO 75 Cb -0.10 -2.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 3gl4 s PRO 75 CO 0.40 0.41 1.27 -0.51 0.04 0.00 0.00 177.00 178.61 3gl4 s ASP 76 N -3.93 5.43 0.00 6.66 1.11 -1.26 -3.17 116.67 121.51 3gl4 s ASP 76 Ca 0.34 2.56 0.00 0.00 0.18 0.00 0.00 52.55 55.63 3gl4 s ASP 76 Cb -0.09 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.29 3gl4 s ASP 76 CO 0.27 -1.44 0.00 0.61 1.18 0.00 0.00 175.17 175.79 3gl4 n GLY 77 N 0.62 2.02 3.24 0.21 0.00 -1.26 -5.04 105.19 104.98 3gl4 n GLY 77 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3gl4 n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gl4 s ILE 78 N -2.51 2.72 0.14 -0.61 1.01 -1.19 -4.99 121.20 115.77 3gl4 s ILE 78 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 59.61 3gl4 s ILE 78 Cb 0.00 -2.18 -0.10 0.00 0.01 0.00 0.00 42.46 40.19 3gl4 s ILE 78 CO 0.00 0.49 1.75 -0.55 0.00 0.00 0.00 174.94 176.64 3gl4 s SER 79 N 1.18 6.45 -1.28 3.58 0.15 -1.26 -4.83 113.70 117.69 3gl4 s SER 79 Ca 0.02 2.74 -0.10 0.00 0.70 0.00 0.00 55.95 59.30 3gl4 s SER 79 Cb -0.14 -2.58 0.16 0.00 -1.71 0.00 0.00 66.02 61.75 3gl4 s SER 79 CO -0.05 -0.96 1.82 1.57 1.20 0.00 0.00 173.24 176.81 3gl4 n HIS 80 N 5.07 3.30 -0.33 3.44 -0.00 -1.26 -4.62 115.22 120.82 3gl4 n HIS 80 Ca 0.17 -2.89 0.24 0.00 0.46 0.00 0.00 57.72 55.70 3gl4 n HIS 80 Cb 0.38 -2.02 0.45 0.00 -0.12 0.00 0.00 29.99 28.68 3gl4 n HIS 80 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 3gl4 h PHE 81 N 5.99 0.41 0.00 1.57 3.57 -1.90 0.38 116.94 126.96 3gl4 h PHE 81 Ca 0.39 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.95 3gl4 h PHE 81 Cb 0.67 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3gl4 h PHE 81 CO 1.24 -0.46 0.00 0.00 -2.23 0.00 0.00 178.31 176.86 3gl4 n ALA 82 N -2.69 1.69 -0.08 2.41 0.00 -1.26 -2.52 120.51 118.07 3gl4 n ALA 82 Ca 0.31 0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.57 3gl4 n ALA 82 Cb 1.03 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 3gl4 n ALA 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gl4 n GLN 83 N -1.84 0.69 0.19 0.00 6.02 0.13 -3.71 117.38 118.87 3gl4 n GLN 83 Ca 0.03 0.19 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 3gl4 n GLN 83 Cb 0.21 -1.59 0.64 0.00 1.02 0.00 0.00 30.24 30.51 3gl4 n GLN 83 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3gl4 h GLU 84 N 0.03 0.00 0.00 -1.09 4.39 -1.28 -3.01 114.58 113.62 3gl4 h GLU 84 Ca -0.52 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.14 3gl4 h GLU 84 Cb 1.96 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.60 3gl4 h GLU 84 CO -0.02 0.00 -0.20 0.00 -1.16 0.00 0.00 179.01 177.63 3gl4 s PHE 86 N -3.70 3.07 0.00 0.00 0.08 -1.14 0.08 117.98 116.38 3gl4 s PHE 86 Ca 0.00 0.28 0.26 0.00 0.12 0.00 0.00 56.93 57.59 3gl4 s PHE 86 Cb 0.10 -2.67 0.88 0.00 -0.57 0.00 0.00 43.02 40.76 3gl4 s PHE 86 CO 0.62 -0.78 1.80 -1.35 -0.10 0.00 0.00 175.22 175.42 3gl4 h PRO 87 N 0.02 0.00 0.00 0.24 0.11 -1.87 -3.34 132.00 127.17 3gl4 h PRO 87 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gl4 h PRO 87 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gl4 h PRO 87 CO 0.57 0.15 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 3gl4 n GLU 88 N -3.24 0.00 0.00 1.05 4.71 -1.21 -4.63 120.64 117.33 3gl4 n GLU 88 Ca 0.01 0.55 0.00 0.00 -0.01 0.00 0.00 57.16 57.71 3gl4 n GLU 88 Cb 0.44 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.60 3gl4 n GLU 88 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gl4 n GLY 89 N -0.90 1.42 3.20 0.62 0.00 0.11 -4.74 105.19 104.90 3gl4 n GLY 89 Ca 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 3gl4 n GLY 89 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gl4 s LEU 90 N 0.00 1.57 0.18 0.99 2.34 -1.19 -1.14 118.68 121.43 3gl4 s LEU 90 Ca 0.00 -0.76 0.05 0.00 0.06 0.00 0.00 54.13 53.48 3gl4 s LEU 90 Cb 0.00 0.87 -0.05 0.00 -0.56 0.00 0.00 46.19 46.46 3gl4 s LEU 90 CO 0.00 -0.73 -0.10 -0.94 -1.06 0.00 0.00 176.35 173.52 3gl4 s SER 91 N -2.89 2.07 -0.06 1.48 1.04 -0.38 -0.34 113.70 114.62 3gl4 s SER 91 Ca 0.08 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.48 3gl4 s SER 91 Cb 0.05 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.14 3gl4 s SER 91 CO -0.09 -0.30 -0.09 -0.63 0.98 0.00 0.00 173.24 173.12 3gl4 s ILE 92 N -3.22 0.86 -0.27 -1.02 1.01 0.11 0.20 121.20 118.88 3gl4 s ILE 92 Ca 0.20 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.46 3gl4 s ILE 92 Cb 0.02 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 3gl4 s ILE 92 CO 0.04 0.30 0.08 -1.81 0.00 0.00 0.00 174.94 173.54 3gl4 s ASP 93 N 0.78 5.15 -0.05 3.58 1.01 0.28 -0.43 116.67 126.99 3gl4 s ASP 93 Ca -0.13 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 52.76 3gl4 s ASP 93 Cb -0.15 -1.91 -0.00 0.00 1.01 0.00 0.00 42.92 41.86 3gl4 s ASP 93 CO 0.02 -0.11 -0.18 -0.60 0.21 0.00 0.00 175.17 174.52 3gl4 s ARG 94 N 1.57 1.96 -0.05 8.23 3.52 0.03 -1.10 118.95 133.12 3gl4 s ARG 94 Ca 0.05 -0.63 0.06 0.00 -0.13 0.00 0.00 55.73 55.08 3gl4 s ARG 94 Cb -0.16 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.57 3gl4 s ARG 94 CO 0.03 0.21 -0.22 0.95 -0.81 0.00 0.00 175.30 175.47 3gl4 s THR 95 N 0.15 1.79 -0.28 4.11 -4.23 0.24 -0.99 115.64 116.44 3gl4 s THR 95 Ca -0.07 -0.92 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 3gl4 s THR 95 Cb -0.13 -1.52 0.07 0.00 1.34 0.00 0.00 72.50 72.26 3gl4 s THR 95 CO 0.03 0.50 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.86 3gl4 s VAL 96 N -0.12 2.08 -0.41 2.29 1.01 0.40 -1.15 120.40 124.49 3gl4 s VAL 96 Ca -0.02 -1.74 -0.22 0.00 0.00 0.00 0.00 61.98 60.00 3gl4 s VAL 96 Cb -0.12 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3gl4 s VAL 96 CO 0.03 -0.18 0.72 -0.60 0.00 0.00 0.00 175.10 175.07 3gl4 s ARG 97 N 1.10 3.50 0.04 2.72 3.52 -0.62 -0.97 118.95 128.25 3gl4 s ARG 97 Ca -0.04 -0.06 -0.28 0.00 -0.13 0.00 0.00 55.73 55.23 3gl4 s ARG 97 Cb -0.20 -3.89 -0.05 0.00 -1.56 0.00 0.00 34.95 29.26 3gl4 s ARG 97 CO -0.06 -0.96 0.88 -0.06 -0.81 0.00 0.00 175.30 174.28 3gl4 s PHE 98 N 3.03 3.72 0.14 5.12 0.40 -0.56 -0.66 117.98 129.16 3gl4 s PHE 98 Ca 0.27 1.61 -0.33 0.00 -0.60 0.00 0.00 56.93 57.88 3gl4 s PHE 98 Cb -0.13 -2.97 -0.12 0.00 0.51 0.00 0.00 43.02 40.30 3gl4 s PHE 98 CO 0.19 0.15 1.71 0.39 0.70 0.00 0.00 175.22 178.36 3gl4 n GLU 99 N 3.23 2.47 -2.48 0.44 1.02 -0.28 -1.35 120.64 123.69 3gl4 n GLU 99 Ca 0.02 0.89 -0.10 0.00 -0.02 0.00 0.00 57.16 57.95 3gl4 n GLU 99 Cb 0.50 -2.72 -0.00 0.00 -0.02 0.00 0.00 31.44 29.20 3gl4 n GLU 99 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gl4 n ASN 100 N 4.45 -3.28 0.00 1.62 4.13 -1.26 -4.82 115.26 116.09 3gl4 n ASN 100 Ca 0.18 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.68 3gl4 n ASN 100 Cb 0.32 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.75 3gl4 n ASN 100 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3gl4 n ASP 101 N -1.75 0.00 -1.82 6.41 -0.08 -0.46 -4.81 116.55 114.04 3gl4 n ASP 101 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 3gl4 n ASP 101 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 3gl4 n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gl4 n GLY 102 N 0.00 0.50 3.34 0.27 0.00 -1.06 -4.58 105.19 103.66 3gl4 n GLY 102 Ca 0.00 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 3gl4 n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gl4 s THR 103 N 0.36 2.40 -0.28 2.61 2.01 -0.21 -1.50 115.64 121.03 3gl4 s THR 103 Ca 0.00 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 3gl4 s THR 103 Cb 0.00 -1.89 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 3gl4 s THR 103 CO 0.00 0.57 0.21 -0.04 -0.69 0.00 0.00 174.62 174.67 3gl4 s MET 104 N -0.38 3.95 -0.16 4.92 -1.94 -0.14 -1.45 119.30 124.11 3gl4 s MET 104 Ca 0.03 -0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 53.69 3gl4 s MET 104 Cb -0.12 -3.66 -0.02 0.00 2.01 0.00 0.00 34.83 33.03 3gl4 s MET 104 CO 0.02 -0.19 -0.06 0.99 -0.01 0.00 0.00 175.02 175.77 3gl4 s THR 105 N 1.79 3.65 0.05 2.05 2.01 -0.41 -0.45 115.64 124.33 3gl4 s THR 105 Ca 0.08 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.67 3gl4 s THR 105 Cb -0.16 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 3gl4 s THR 105 CO 0.11 0.49 -0.11 -0.94 -0.69 0.00 0.00 174.62 173.48 3gl4 s SER 106 N 0.48 1.24 -0.08 3.53 1.04 -0.16 -0.09 113.70 119.66 3gl4 s SER 106 Ca -0.05 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.82 3gl4 s SER 106 Cb -0.15 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 65.99 3gl4 s SER 106 CO 0.03 -0.14 -0.09 -2.28 0.98 0.00 0.00 173.24 171.75 3gl4 s HIS 107 N -1.30 1.35 -0.02 5.02 2.46 -0.71 -0.79 115.29 121.31 3gl4 s HIS 107 Ca -0.06 -0.57 0.06 0.00 0.47 0.00 0.00 55.06 54.97 3gl4 s HIS 107 Cb -0.10 -1.08 -0.01 0.00 -0.13 0.00 0.00 32.58 31.26 3gl4 s HIS 107 CO 0.01 -0.37 -0.22 -1.01 -2.47 0.00 0.00 174.74 170.69 3gl4 s HIS 108 N 1.19 1.96 -0.02 3.88 0.09 0.42 -1.91 115.29 120.91 3gl4 s HIS 108 Ca -0.05 -0.41 0.07 0.00 -0.00 0.00 0.00 55.06 54.67 3gl4 s HIS 108 Cb -0.14 -1.27 -0.02 0.00 -0.00 0.00 0.00 32.58 31.14 3gl4 s HIS 108 CO -0.02 -0.06 -0.23 0.95 -0.00 0.00 0.00 174.74 175.37 3gl4 s THR 109 N -0.42 2.31 -0.07 1.30 -4.23 -0.42 0.08 115.64 114.18 3gl4 s THR 109 Ca 0.06 -1.06 0.05 0.00 -1.18 0.00 0.00 61.69 59.55 3gl4 s THR 109 Cb -0.09 -1.84 -0.00 0.00 1.34 0.00 0.00 72.50 71.90 3gl4 s THR 109 CO -0.00 0.55 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.10 3gl4 s TYR 110 N -0.67 2.25 0.02 3.99 2.02 0.54 -2.16 117.35 123.34 3gl4 s TYR 110 Ca 0.11 -0.79 0.05 0.00 -0.37 0.00 0.00 57.07 56.07 3gl4 s TYR 110 Cb -0.10 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 3gl4 s TYR 110 CO -0.00 -0.29 -0.16 -1.21 -1.57 0.00 0.00 175.55 172.32 3gl4 s GLU 111 N 0.16 1.15 -0.21 -0.62 0.41 -0.58 -3.17 118.70 115.84 3gl4 s GLU 111 Ca -0.11 -0.71 -0.08 0.00 -0.41 0.00 0.00 54.97 53.66 3gl4 s GLU 111 Cb -0.15 -1.16 -0.04 0.00 -1.78 0.00 0.00 34.13 31.00 3gl4 s GLU 111 CO 0.05 0.30 0.08 -1.17 -0.49 0.00 0.00 175.26 174.04 3gl4 s LEU 112 N -0.84 3.81 -0.61 1.80 2.96 -1.26 -0.02 118.68 124.52 3gl4 s LEU 112 Ca 0.05 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 3gl4 s LEU 112 Cb -0.07 -1.99 0.15 0.00 0.50 0.00 0.00 46.19 44.78 3gl4 s LEU 112 CO 0.01 0.11 0.38 -0.62 -1.32 0.00 0.00 176.35 174.91 3gl4 s ASP 113 N 0.74 4.59 1.91 3.68 -1.08 0.55 -4.95 116.67 122.12 3gl4 s ASP 113 Ca 0.04 -3.42 0.00 0.00 -0.52 0.00 0.00 52.55 48.66 3gl4 s ASP 113 Cb -0.13 -1.65 0.00 0.00 -1.46 0.00 0.00 42.92 39.68 3gl4 s ASP 113 CO 0.02 -0.16 0.00 -0.67 0.52 0.00 0.00 175.17 174.88 3gl4 n ASP 114 N 2.57 0.00 -1.91 -0.34 2.03 -1.26 -2.01 116.55 115.62 3gl4 n ASP 114 Ca 0.12 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.21 3gl4 n ASP 114 Cb 0.34 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.85 3gl4 n ASP 114 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3gl4 n THR 115 N 0.00 3.01 -4.18 5.18 -2.24 -1.26 -4.89 114.28 109.90 3gl4 n THR 115 Ca 0.00 -3.00 -0.26 0.00 -2.27 0.00 0.00 64.05 58.52 3gl4 n THR 115 Cb 0.00 -0.80 -0.17 0.00 -2.10 0.00 0.00 70.33 67.27 3gl4 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gl4 s VAL 117 N 1.26 5.06 -0.16 0.00 1.01 -0.80 0.21 120.40 126.98 3gl4 s VAL 117 Ca -0.03 1.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.90 3gl4 s VAL 117 Cb -0.14 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3gl4 s VAL 117 CO -0.03 0.12 0.05 -0.69 0.00 0.00 0.00 175.10 174.55 3gl4 s VAL 118 N 1.95 4.72 -0.07 2.92 1.01 0.97 -0.56 120.40 131.34 3gl4 s VAL 118 Ca 0.25 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3gl4 s VAL 118 Cb -0.16 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3gl4 s VAL 118 CO 0.09 0.49 -0.24 -0.55 0.00 0.00 0.00 175.10 174.90 3gl4 s SER 119 N 0.09 3.13 -0.10 3.32 0.15 0.32 -1.53 113.70 119.09 3gl4 s SER 119 Ca 0.05 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.19 3gl4 s SER 119 Cb -0.12 -1.04 0.02 0.00 -1.71 0.00 0.00 66.02 63.17 3gl4 s SER 119 CO 0.01 0.22 -0.09 -0.13 1.20 0.00 0.00 173.24 174.45 3gl4 s ARG 120 N -0.01 1.58 -0.05 5.44 0.52 -0.92 -0.25 118.95 125.26 3gl4 s ARG 120 Ca -0.08 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.84 3gl4 s ARG 120 Cb -0.15 -1.52 0.02 0.00 0.52 0.00 0.00 34.95 33.82 3gl4 s ARG 120 CO 0.05 -0.16 -0.08 0.42 0.02 0.00 0.00 175.30 175.55 3gl4 s ILE 121 N 1.34 0.76 -0.14 1.52 1.01 0.55 -1.30 121.20 124.93 3gl4 s ILE 121 Ca -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 3gl4 s ILE 121 Cb -0.14 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 3gl4 s ILE 121 CO -0.04 0.27 -0.05 0.42 0.00 0.00 0.00 174.94 175.54 3gl4 s THR 122 N 0.72 3.83 -0.03 2.92 -4.23 -0.80 0.28 115.64 118.32 3gl4 s THR 122 Ca -0.12 -0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 3gl4 s THR 122 Cb -0.14 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 3gl4 s THR 122 CO 0.01 0.51 -0.13 0.54 -0.54 0.00 0.00 174.62 175.02 3gl4 s VAL 123 N 0.15 1.10 -0.16 2.29 0.11 -0.30 -1.74 120.40 121.86 3gl4 s VAL 123 Ca -0.02 -0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 58.47 3gl4 s VAL 123 Cb -0.14 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 3gl4 s VAL 123 CO 0.03 0.32 -0.13 0.20 -3.33 0.00 0.00 175.10 172.20 3gl4 s ASN 124 N -0.01 3.88 -0.26 3.54 -0.87 0.88 -1.22 114.94 120.87 3gl4 s ASN 124 Ca -0.01 -0.41 -0.05 0.00 -1.57 0.00 0.00 52.86 50.82 3gl4 s ASN 124 Cb -0.09 -1.61 0.01 0.00 -0.02 0.00 0.00 41.25 39.54 3gl4 s ASN 124 CO 0.01 0.09 0.01 0.00 -2.57 0.00 0.00 177.10 174.63 3gl4 s ASP 126 N 1.45 1.95 -0.92 0.00 1.01 -0.53 -2.53 116.67 117.11 3gl4 s ASP 126 Ca 0.03 -0.66 -0.01 0.00 0.71 0.00 0.00 52.55 52.61 3gl4 s ASP 126 Cb -0.16 -0.08 0.00 0.00 1.01 0.00 0.00 42.92 43.69 3gl4 s ASP 126 CO -0.01 -0.05 0.14 0.61 0.21 0.00 0.00 175.17 176.07 3gl4 n GLY 127 N 1.11 -0.04 3.70 0.21 0.00 -1.26 -1.05 105.19 107.86 3gl4 n GLY 127 Ca -0.20 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3gl4 n GLY 127 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gl4 s PHE 128 N -2.70 3.59 -0.20 1.61 0.08 -1.26 -2.58 117.98 116.52 3gl4 s PHE 128 Ca 0.07 1.49 -0.29 0.00 0.12 0.00 0.00 56.93 58.33 3gl4 s PHE 128 Cb -0.03 -3.02 -0.04 0.00 -0.57 0.00 0.00 43.02 39.36 3gl4 s PHE 128 CO 0.09 -0.03 1.96 -0.65 -0.10 0.00 0.00 175.22 176.48 3gl4 s GLN 129 N 1.21 3.48 0.38 0.44 -1.52 -1.26 -4.86 119.66 117.53 3gl4 s GLN 129 Ca 0.45 1.93 0.09 0.00 -1.95 0.00 0.00 55.36 55.88 3gl4 s GLN 129 Cb -0.19 -4.23 0.84 0.00 -0.22 0.00 0.00 33.01 29.21 3gl4 s GLN 129 CO 0.22 -1.69 1.94 -1.35 -0.25 0.00 0.00 175.29 174.16 3gl4 h PRO 130 N 12.94 0.63 -0.04 2.91 0.11 -1.98 0.23 132.00 146.80 3gl4 h PRO 130 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gl4 h PRO 130 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gl4 h PRO 130 CO 0.98 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.79 3gl4 n ASP 131 N -4.50 1.76 -4.61 -2.05 5.68 -1.26 -4.35 116.55 107.23 3gl4 n ASP 131 Ca 0.13 -1.60 -0.29 0.00 -0.50 0.00 0.00 54.79 52.52 3gl4 n ASP 131 Cb 0.34 -0.02 0.20 0.00 -1.14 0.00 0.00 41.12 40.50 3gl4 n ASP 131 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3gl4 s GLY 132 N -1.94 1.58 0.47 6.12 0.00 0.81 -4.74 107.32 109.62 3gl4 s GLY 132 Ca 0.36 -0.09 0.18 0.00 0.00 0.00 0.00 44.72 45.17 3gl4 s GLY 132 CO 0.32 0.52 2.02 -2.55 0.00 0.00 0.00 173.10 173.41 3gl4 h PRO 133 N -2.12 0.00 0.21 2.90 0.11 -1.93 0.15 132.00 131.32 3gl4 h PRO 133 Ca -0.55 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 3gl4 h PRO 133 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3gl4 h PRO 133 CO 0.52 0.16 -0.10 0.82 -0.21 0.00 0.00 178.00 179.19 3gl4 h ILE 134 N 0.00 0.72 0.00 4.15 2.04 -1.92 0.65 117.51 123.15 3gl4 h ILE 134 Ca -0.00 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 3gl4 h ILE 134 Cb 0.30 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3gl4 h ILE 134 CO 0.02 0.18 -0.24 0.24 0.00 0.00 0.00 178.15 178.35 3gl4 h MET 135 N -0.88 0.00 -0.22 2.37 2.86 -1.73 0.11 114.93 117.43 3gl4 h MET 135 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3gl4 h MET 135 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3gl4 h MET 135 CO 0.05 0.24 0.00 0.54 1.06 0.00 0.00 176.91 178.79 3gl4 n ARG 136 N -3.68 1.77 -3.49 1.72 1.74 0.03 -4.71 116.66 110.04 3gl4 n ARG 136 Ca -0.01 -1.17 -0.21 0.00 -0.77 0.00 0.00 57.85 55.69 3gl4 n ARG 136 Cb 0.36 -1.36 0.08 0.00 -1.02 0.00 0.00 32.46 30.51 3gl4 n ARG 136 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gl4 n ASP 137 N 0.40 -5.22 -0.91 0.55 2.03 -0.88 -4.89 116.55 107.62 3gl4 n ASP 137 Ca 0.15 -0.52 0.07 0.00 0.52 0.00 0.00 54.79 55.01 3gl4 n ASP 137 Cb 0.33 -4.77 0.24 0.00 -0.72 0.00 0.00 41.12 36.19 3gl4 n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gl4 n GLN 138 N -4.56 3.07 -3.06 -0.67 6.02 0.17 -4.96 117.38 113.40 3gl4 n GLN 138 Ca -0.05 -2.55 -0.39 0.00 -0.01 0.00 0.00 57.00 54.00 3gl4 n GLN 138 Cb 0.58 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 3gl4 n GLN 138 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gl4 s LEU 139 N -1.97 4.50 -0.06 1.08 1.43 -1.24 -0.77 118.68 121.65 3gl4 s LEU 139 Ca 0.36 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 3gl4 s LEU 139 Cb 0.25 -3.16 -0.06 0.00 0.03 0.00 0.00 46.19 43.26 3gl4 s LEU 139 CO 0.14 0.12 -0.01 0.52 0.23 0.00 0.00 176.35 177.35 3gl4 n VAL 140 N 2.30 0.39 -3.51 -1.59 0.31 0.41 -4.94 118.33 111.70 3gl4 n VAL 140 Ca -0.05 -0.21 -0.06 0.00 -0.01 0.00 0.00 64.34 64.02 3gl4 n VAL 140 Cb 0.50 -0.82 0.02 0.00 -0.91 0.00 0.00 33.84 32.63 3gl4 n VAL 140 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3gl4 n ASP 141 N -2.39 -1.45 -4.22 4.52 5.68 -1.24 -4.97 116.55 112.48 3gl4 n ASP 141 Ca -0.10 -1.99 -0.32 0.00 -0.50 0.00 0.00 54.79 51.87 3gl4 n ASP 141 Cb 0.66 2.41 -0.17 0.00 -1.14 0.00 0.00 41.12 42.88 3gl4 n ASP 141 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3gl4 s ILE 142 N -2.43 2.04 0.28 2.12 1.01 -1.26 -2.64 121.20 120.31 3gl4 s ILE 142 Ca 0.10 -1.01 -0.28 0.00 0.00 0.00 0.00 60.65 59.46 3gl4 s ILE 142 Cb -0.03 -1.76 -0.09 0.00 0.01 0.00 0.00 42.46 40.59 3gl4 s ILE 142 CO 0.07 0.56 0.96 -0.76 0.00 0.00 0.00 174.94 175.77 3gl4 s LEU 143 N 0.30 4.52 0.41 2.97 1.43 -0.63 -4.75 118.68 122.93 3gl4 s LEU 143 Ca -0.17 1.94 -0.25 0.00 -1.03 0.00 0.00 54.13 54.62 3gl4 s LEU 143 Cb -0.18 -3.77 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 3gl4 s LEU 143 CO 0.08 0.04 1.20 -2.84 0.23 0.00 0.00 176.35 175.06 3gl4 s PRO 144 N -1.54 4.01 0.34 1.29 0.02 -1.26 -4.62 135.00 133.25 3gl4 s PRO 144 Ca 0.45 1.90 0.03 0.00 0.02 0.00 0.00 61.00 63.40 3gl4 s PRO 144 Cb -0.24 -2.68 -0.05 0.00 0.02 0.00 0.00 34.50 31.56 3gl4 s PRO 144 CO 0.30 -0.37 0.09 0.54 -0.33 0.00 0.00 177.00 177.22 3gl4 s ASN 145 N -1.07 2.32 -0.72 2.53 2.20 -0.58 -4.97 114.94 114.65 3gl4 s ASN 145 Ca 0.57 -1.47 0.01 0.00 -0.94 0.00 0.00 52.86 51.03 3gl4 s ASN 145 Cb -0.32 0.15 0.18 0.00 -2.00 0.00 0.00 41.25 39.25 3gl4 s ASN 145 CO 0.40 -0.73 0.53 -1.61 -2.94 0.00 0.00 177.10 172.75 3gl4 s GLU 146 N -3.86 2.65 0.59 3.55 0.41 -1.26 -1.56 118.70 119.23 3gl4 s GLU 146 Ca 0.33 -3.05 -0.20 0.00 -0.41 0.00 0.00 54.97 51.64 3gl4 s GLU 146 Cb 0.07 -3.63 -0.03 0.00 -1.78 0.00 0.00 34.13 28.75 3gl4 s GLU 146 CO 0.15 -1.23 1.33 0.95 -0.49 0.00 0.00 175.26 175.97 3gl4 s THR 147 N -0.95 2.06 -0.30 3.63 -4.23 -0.42 -4.83 115.64 110.60 3gl4 s THR 147 Ca 0.23 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.70 3gl4 s THR 147 Cb -0.12 -3.02 -0.00 0.00 1.34 0.00 0.00 72.50 70.70 3gl4 s THR 147 CO -0.10 -0.00 0.12 -1.00 -0.54 0.00 0.00 174.62 173.09 3gl4 s HIS 148 N -1.35 3.16 -0.27 3.99 0.09 0.47 -1.83 115.29 119.54 3gl4 s HIS 148 Ca 0.77 -0.73 -0.12 0.00 -0.00 0.00 0.00 55.06 54.98 3gl4 s HIS 148 Cb -0.39 -2.31 -0.05 0.00 -0.00 0.00 0.00 32.58 29.84 3gl4 s HIS 148 CO 0.44 -0.50 0.23 -1.64 -0.00 0.00 0.00 174.74 173.27 3gl4 s MET 149 N 1.57 3.98 0.06 1.40 -1.94 -0.79 -1.78 119.30 121.79 3gl4 s MET 149 Ca 0.04 -0.23 0.08 0.00 -1.71 0.00 0.00 55.69 53.87 3gl4 s MET 149 Cb -0.17 -3.64 -0.03 0.00 2.01 0.00 0.00 34.83 32.99 3gl4 s MET 149 CO 0.04 -0.17 -0.22 -0.06 -0.01 0.00 0.00 175.02 174.61 3gl4 s PHE 150 N 1.74 2.45 0.51 -0.03 0.08 -0.06 -0.39 117.98 122.29 3gl4 s PHE 150 Ca 0.09 -0.32 -0.21 0.00 0.12 0.00 0.00 56.93 56.61 3gl4 s PHE 150 Cb -0.16 -1.41 -0.07 0.00 -0.57 0.00 0.00 43.02 40.82 3gl4 s PHE 150 CO 0.10 0.23 1.12 -1.25 -0.10 0.00 0.00 175.22 175.32 3gl4 s PRO 151 N -1.49 3.55 -0.21 0.24 0.04 -1.25 -0.54 135.00 135.33 3gl4 s PRO 151 Ca 0.14 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 3gl4 s PRO 151 Cb -0.10 -2.13 0.10 0.00 0.04 0.00 0.00 34.50 32.41 3gl4 s PRO 151 CO 0.05 -0.68 0.26 -1.58 0.04 0.00 0.00 177.00 175.08 3gl4 s HIS 152 N -1.75 -0.39 0.00 0.56 2.46 0.16 -4.71 115.29 111.61 3gl4 s HIS 152 Ca 0.69 0.34 0.00 0.00 0.47 0.00 0.00 55.06 56.56 3gl4 s HIS 152 Cb -0.24 -0.28 0.00 0.00 -0.13 0.00 0.00 32.58 31.93 3gl4 s HIS 152 CO 0.27 -0.64 0.00 0.41 -2.47 0.00 0.00 174.74 172.32 3gl4 n GLY 153 N 5.33 -0.64 0.19 1.59 0.00 -1.26 -1.74 105.19 108.66 3gl4 n GLY 153 Ca -0.05 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.23 3gl4 n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gl4 h PRO 154 N 0.00 0.00 -0.09 1.61 0.13 -1.99 -3.37 132.00 128.29 3gl4 h PRO 154 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gl4 h PRO 154 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gl4 h PRO 154 CO 0.00 0.25 0.00 0.27 -0.23 0.00 0.00 178.00 178.29 3gl4 n ASN 155 N -3.21 2.19 -3.78 1.44 6.94 -1.25 -4.67 115.26 112.91 3gl4 n ASN 155 Ca 0.02 -1.95 -0.12 0.00 -0.02 0.00 0.00 54.58 52.51 3gl4 n ASN 155 Cb 0.58 -0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.86 3gl4 n ASN 155 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gl4 s ALA 156 N -0.96 -0.66 0.11 -2.53 0.00 -0.71 -0.85 121.76 116.16 3gl4 s ALA 156 Ca 0.06 0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.25 3gl4 s ALA 156 Cb 0.03 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 3gl4 s ALA 156 CO 0.04 -0.30 -0.24 0.14 0.00 0.00 0.00 175.76 175.40 3gl4 s VAL 157 N -1.75 2.41 -0.16 0.00 -7.23 -0.89 0.36 120.40 113.14 3gl4 s VAL 157 Ca -0.11 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 58.39 3gl4 s VAL 157 Cb -0.04 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3gl4 s VAL 157 CO 0.01 0.15 0.07 -0.60 -0.31 0.00 0.00 175.10 174.42 3gl4 s ARG 158 N -1.91 3.73 -0.10 4.82 3.52 0.30 -1.34 118.95 127.97 3gl4 s ARG 158 Ca 0.15 -0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 3gl4 s ARG 158 Cb -0.10 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 3gl4 s ARG 158 CO 0.06 0.44 -0.21 -1.14 -0.81 0.00 0.00 175.30 173.64 3gl4 s GLN 159 N -0.09 2.99 -0.02 5.12 0.74 0.15 -0.88 119.66 127.67 3gl4 s GLN 159 Ca 0.07 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.67 3gl4 s GLN 159 Cb -0.12 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.64 3gl4 s GLN 159 CO 0.01 0.25 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.41 3gl4 s LEU 160 N 0.18 1.85 0.07 3.68 1.43 -0.73 -0.49 118.68 124.67 3gl4 s LEU 160 Ca -0.12 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 3gl4 s LEU 160 Cb -0.16 -0.52 0.06 0.00 0.03 0.00 0.00 46.19 45.60 3gl4 s LEU 160 CO 0.07 0.08 0.56 0.00 0.23 0.00 0.00 176.35 177.29 3gl4 s ALA 161 N 0.08 -1.46 -0.44 4.21 0.00 -0.99 -0.40 121.76 122.77 3gl4 s ALA 161 Ca -0.01 0.63 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 3gl4 s ALA 161 Cb -0.07 0.51 0.05 0.00 0.00 0.00 0.00 23.12 23.61 3gl4 s ALA 161 CO 0.00 -0.58 0.34 -0.06 0.00 0.00 0.00 175.76 175.46 3gl4 s PHE 162 N -2.79 3.25 -0.42 0.00 0.08 -1.26 -1.62 117.98 115.21 3gl4 s PHE 162 Ca -0.03 -0.84 -0.14 0.00 0.12 0.00 0.00 56.93 56.03 3gl4 s PHE 162 Cb -0.00 -2.89 0.04 0.00 -0.57 0.00 0.00 43.02 39.60 3gl4 s PHE 162 CO -0.04 -0.71 0.31 0.42 -0.10 0.00 0.00 175.22 175.10 3gl4 s ILE 163 N 1.64 5.10 0.25 0.64 1.01 -0.62 -4.80 121.20 124.41 3gl4 s ILE 163 Ca 0.04 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 59.91 3gl4 s ILE 163 Cb -0.22 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3gl4 s ILE 163 CO 0.08 -0.39 0.21 -0.83 0.00 0.00 0.00 174.94 174.01 3gl4 s GLY 164 N 1.96 1.40 -0.03 6.18 0.00 -1.26 0.20 107.32 115.77 3gl4 s GLY 164 Ca 0.04 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.36 3gl4 s GLY 164 CO 0.08 -1.43 0.06 -1.36 0.00 0.00 0.00 173.10 170.45 3gl4 s PHE 165 N -2.10 -0.04 -0.06 1.90 0.08 0.30 -1.60 117.98 116.45 3gl4 s PHE 165 Ca 0.33 0.21 -0.30 0.00 0.12 0.00 0.00 56.93 57.29 3gl4 s PHE 165 Cb -0.08 -0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.24 3gl4 s PHE 165 CO 0.25 -0.08 1.03 0.99 -0.10 0.00 0.00 175.22 177.31 3gl4 s THR 166 N 0.71 4.72 0.73 0.64 2.01 -1.08 -0.08 115.64 123.29 3gl4 s THR 166 Ca -0.06 1.97 -0.09 0.00 0.31 0.00 0.00 61.69 63.83 3gl4 s THR 166 Cb -0.08 -4.27 0.16 0.00 0.01 0.00 0.00 72.50 68.32 3gl4 s THR 166 CO -0.03 0.06 1.00 0.35 -0.69 0.00 0.00 174.62 175.31 3gl4 n THR 167 N 4.33 0.00 0.13 -0.82 -2.24 -0.05 -0.45 114.28 115.18 3gl4 n THR 167 Ca 0.08 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3gl4 n THR 167 Cb 0.49 -1.37 0.05 0.00 -2.10 0.00 0.00 70.33 67.41 3gl4 n THR 167 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gl4 h ALA 168 N -1.37 0.66 -0.16 6.98 0.00 -1.27 -2.21 119.26 121.88 3gl4 h ALA 168 Ca -0.32 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3gl4 h ALA 168 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gl4 h ALA 168 CO 0.27 0.78 0.00 -0.40 0.00 0.00 0.00 179.25 179.90 3gl4 n ASP 169 N -3.35 2.13 -1.29 0.00 5.68 -1.26 -4.87 116.55 113.59 3gl4 n ASP 169 Ca 0.01 -2.22 -0.17 0.00 -0.50 0.00 0.00 54.79 51.91 3gl4 n ASP 169 Cb 0.74 -0.50 -0.07 0.00 -1.14 0.00 0.00 41.12 40.15 3gl4 n ASP 169 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gl4 n GLY 170 N 0.25 1.58 0.00 6.12 0.00 -0.83 -5.03 105.19 107.28 3gl4 n GLY 170 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3gl4 n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gl4 n GLY 171 N -0.12 -0.68 2.92 -0.02 0.00 -1.26 -4.79 105.19 101.24 3gl4 n GLY 171 Ca -0.17 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 3gl4 n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gl4 s LEU 172 N 0.00 1.27 -0.25 0.99 1.43 -1.26 -0.87 118.68 119.99 3gl4 s LEU 172 Ca 0.00 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 3gl4 s LEU 172 Cb 0.00 -0.70 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 3gl4 s LEU 172 CO 0.00 -0.07 0.26 -0.32 0.23 0.00 0.00 176.35 176.45 3gl4 s MET 173 N 1.27 4.05 -0.19 1.70 -2.45 0.89 -4.92 119.30 119.66 3gl4 s MET 173 Ca -0.04 -0.12 -0.03 0.00 -1.25 0.00 0.00 55.69 54.25 3gl4 s MET 173 Cb -0.14 -3.59 -0.01 0.00 1.25 0.00 0.00 34.83 32.34 3gl4 s MET 173 CO -0.03 -0.08 -0.07 1.41 1.05 0.00 0.00 175.02 177.30 3gl4 s MET 174 N 1.47 3.40 -0.17 4.11 1.75 -1.26 -0.54 119.30 128.06 3gl4 s MET 174 Ca 0.11 -0.64 -0.08 0.00 -1.25 0.00 0.00 55.69 53.83 3gl4 s MET 174 Cb -0.15 -2.88 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 3gl4 s MET 174 CO 0.08 -0.04 0.11 0.20 -0.65 0.00 0.00 175.02 174.72 3gl4 s GLY 175 N 1.03 2.02 -0.47 2.11 0.00 0.13 -1.12 107.32 111.03 3gl4 s GLY 175 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 44.72 43.81 3gl4 s GLY 175 CO -0.01 -0.05 0.69 0.30 0.00 0.00 0.00 173.10 174.04 3gl4 s HIS 176 N -0.03 3.02 -0.19 1.90 3.76 0.16 -1.59 115.29 122.32 3gl4 s HIS 176 Ca 0.09 -0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 54.79 3gl4 s HIS 176 Cb -0.12 -3.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 3gl4 s HIS 176 CO 0.00 -0.97 0.06 0.12 -0.85 0.00 0.00 174.74 173.10 3gl4 s PHE 177 N 2.95 3.21 -0.09 1.40 5.36 -0.64 -1.58 117.98 128.59 3gl4 s PHE 177 Ca 0.23 -0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.14 3gl4 s PHE 177 Cb -0.15 -2.10 0.05 0.00 -0.34 0.00 0.00 43.02 40.48 3gl4 s PHE 177 CO 0.18 0.06 0.17 0.34 -1.46 0.00 0.00 175.22 174.51 3gl4 s ASP 178 N 0.56 0.70 -0.01 6.13 -1.08 -0.30 -2.35 116.67 120.31 3gl4 s ASP 178 Ca 0.03 0.36 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 3gl4 s ASP 178 Cb -0.13 0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.65 3gl4 s ASP 178 CO 0.01 -0.24 -0.00 -0.55 0.52 0.00 0.00 175.17 174.91 3gl4 s SER 179 N 2.28 0.26 -0.19 -0.34 0.15 0.35 -0.59 113.70 115.62 3gl4 s SER 179 Ca 0.03 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.67 3gl4 s SER 179 Cb -0.12 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.12 3gl4 s SER 179 CO -0.06 -0.05 -0.18 -0.75 1.20 0.00 0.00 173.24 173.40 3gl4 s LYS 180 N 0.52 2.87 -0.30 5.44 2.36 -0.25 0.30 119.74 130.67 3gl4 s LYS 180 Ca -0.05 -0.92 -0.13 0.00 -2.55 0.00 0.00 55.97 52.33 3gl4 s LYS 180 Cb -0.07 -2.62 -0.03 0.00 -1.05 0.00 0.00 37.83 34.05 3gl4 s LYS 180 CO -0.01 -0.27 0.27 -1.64 1.55 0.00 0.00 175.35 175.25 3gl4 s MET 181 N 1.26 3.78 -0.07 4.03 -1.94 -0.45 -0.56 119.30 125.35 3gl4 s MET 181 Ca 0.03 -0.34 0.04 0.00 -1.71 0.00 0.00 55.69 53.70 3gl4 s MET 181 Cb -0.14 -3.72 -0.02 0.00 2.01 0.00 0.00 34.83 32.96 3gl4 s MET 181 CO -0.12 -0.33 -0.20 0.99 -0.01 0.00 0.00 175.02 175.36 3gl4 s THR 182 N 1.86 2.53 -0.09 2.05 2.01 0.13 -2.10 115.64 122.04 3gl4 s THR 182 Ca 0.09 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 3gl4 s THR 182 Cb -0.16 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 3gl4 s THR 182 CO 0.11 0.57 1.17 0.12 -0.69 0.00 0.00 174.62 175.90 3gl4 s PHE 183 N -0.21 3.19 -0.61 4.92 5.36 -0.03 -1.25 117.98 129.35 3gl4 s PHE 183 Ca -0.01 1.25 0.25 0.00 -0.96 0.00 0.00 56.93 57.46 3gl4 s PHE 183 Cb -0.13 -3.39 0.68 0.00 -0.34 0.00 0.00 43.02 39.83 3gl4 s PHE 183 CO 0.03 -1.18 1.73 -0.91 -1.46 0.00 0.00 175.22 173.43 3gl4 h ASN 184 N 7.52 0.00 -4.45 6.13 2.35 -1.45 -3.47 115.58 122.22 3gl4 h ASN 184 Ca -0.32 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 54.94 3gl4 h ASN 184 Cb 1.14 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.60 3gl4 h ASN 184 CO 0.90 0.00 0.40 -0.83 -1.65 0.00 0.00 177.43 176.25 3gl4 s GLY 185 N -3.80 1.63 -0.02 2.83 0.00 -1.26 -4.97 107.32 101.72 3gl4 s GLY 185 Ca 0.09 -0.33 0.21 0.00 0.00 0.00 0.00 44.72 44.69 3gl4 s GLY 185 CO 0.61 0.05 0.51 -1.14 0.00 0.00 0.00 173.10 173.13 3gl4 n SER 186 N -3.08 0.37 -3.16 1.64 3.41 -1.26 -4.95 113.62 106.59 3gl4 n SER 186 Ca 0.07 -0.13 -0.19 0.00 -0.26 0.00 0.00 58.87 58.36 3gl4 n SER 186 Cb 0.57 1.82 0.19 0.00 -0.26 0.00 0.00 64.21 66.52 3gl4 n SER 186 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3gl4 n ARG 187 N -2.12 -3.68 -4.10 4.33 1.85 -1.26 -5.02 116.66 106.66 3gl4 n ARG 187 Ca -0.03 -0.92 -0.33 0.00 -1.00 0.00 0.00 57.85 55.57 3gl4 n ARG 187 Cb 0.51 -1.22 -0.07 0.00 -1.05 0.00 0.00 32.46 30.62 3gl4 n ARG 187 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gl4 s ALA 188 N -2.07 3.60 0.17 2.89 0.00 -1.26 -5.08 121.76 120.02 3gl4 s ALA 188 Ca 0.42 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3gl4 s ALA 188 Cb -0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3gl4 s ALA 188 CO 0.35 0.68 -0.13 -1.50 0.00 0.00 0.00 175.76 175.17 3gl4 s ILE 189 N -1.17 1.48 -0.15 0.00 2.07 -1.26 -5.04 121.20 117.13 3gl4 s ILE 189 Ca 0.22 -2.10 -0.28 0.00 -1.41 0.00 0.00 60.65 57.07 3gl4 s ILE 189 Cb -0.12 -1.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.54 3gl4 s ILE 189 CO 0.13 -0.63 0.96 -0.70 -1.91 0.00 0.00 174.94 172.78 3gl4 s GLU 190 N -3.58 4.35 -0.75 3.50 2.12 -1.26 -5.00 118.70 118.08 3gl4 s GLU 190 Ca 0.19 1.27 -0.20 0.00 0.36 0.00 0.00 54.97 56.59 3gl4 s GLU 190 Cb 0.00 -3.57 0.11 0.00 0.26 0.00 0.00 34.13 30.93 3gl4 s GLU 190 CO 0.04 -0.39 0.95 0.42 -0.54 0.00 0.00 175.26 175.74 3gl4 s ILE 191 N 2.31 4.66 1.02 -3.70 1.01 -1.26 -4.76 121.20 120.47 3gl4 s ILE 191 Ca 0.44 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 3gl4 s ILE 191 Cb -0.17 -4.66 0.10 0.00 0.01 0.00 0.00 42.46 37.74 3gl4 s ILE 191 CO 0.14 -1.37 0.46 -0.81 0.00 0.00 0.00 174.94 173.36 3gl4 n PRO 192 N 6.75 -0.91 -1.74 2.79 -0.04 -1.26 -4.88 135.00 135.70 3gl4 n PRO 192 Ca 0.05 -0.23 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 3gl4 n PRO 192 Cb 0.46 -1.92 0.12 0.00 -0.04 0.00 0.00 33.50 32.12 3gl4 n PRO 192 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gl4 s GLY 193 N -2.10 1.60 -0.24 0.55 0.00 -1.26 -3.96 107.32 101.91 3gl4 s GLY 193 Ca 0.59 -0.66 -0.39 0.00 0.00 0.00 0.00 44.72 44.26 3gl4 s GLY 193 CO 0.66 -0.11 1.74 -1.05 0.00 0.00 0.00 173.10 174.34 3gl4 n PRO 194 N -3.56 1.27 0.00 2.90 -0.02 -1.26 -4.59 135.00 129.74 3gl4 n PRO 194 Ca 0.08 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3gl4 n PRO 194 Cb 0.60 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3gl4 n PRO 194 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3gl4 n HIS 195 N 5.39 0.00 -3.83 6.00 1.44 0.48 -4.88 115.22 119.83 3gl4 n HIS 195 Ca 0.26 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.87 3gl4 n HIS 195 Cb 0.15 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.19 3gl4 n HIS 195 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3gl4 s PHE 196 N 0.90 0.06 -0.06 -1.40 0.08 -0.87 -1.89 117.98 114.80 3gl4 s PHE 196 Ca 0.00 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.69 3gl4 s PHE 196 Cb 0.00 -0.01 0.02 0.00 -0.57 0.00 0.00 43.02 42.46 3gl4 s PHE 196 CO 0.00 -0.50 -0.07 0.08 -0.10 0.00 0.00 175.22 174.63 3gl4 s VAL 197 N -3.19 0.74 -0.08 -0.44 1.01 -0.76 -2.08 120.40 115.59 3gl4 s VAL 197 Ca -0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 3gl4 s VAL 197 Cb 0.02 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 3gl4 s VAL 197 CO -0.07 0.28 0.53 -0.89 0.00 0.00 0.00 175.10 174.95 3gl4 s THR 198 N 0.98 5.10 -0.11 3.92 2.01 -0.21 -1.29 115.64 126.04 3gl4 s THR 198 Ca -0.10 1.08 0.01 0.00 0.31 0.00 0.00 61.69 62.99 3gl4 s THR 198 Cb -0.14 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.52 3gl4 s THR 198 CO 0.00 0.35 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.54 3gl4 s ILE 199 N 0.39 1.25 -0.06 1.82 1.01 -0.60 -1.73 121.20 123.27 3gl4 s ILE 199 Ca 0.29 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.52 3gl4 s ILE 199 Cb -0.16 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3gl4 s ILE 199 CO 0.13 0.40 -0.20 -0.63 0.00 0.00 0.00 174.94 174.64 3gl4 s ILE 200 N 1.33 2.48 -0.02 2.92 1.01 -0.13 -1.53 121.20 127.25 3gl4 s ILE 200 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3gl4 s ILE 200 Cb -0.14 -1.94 0.02 0.00 0.01 0.00 0.00 42.46 40.42 3gl4 s ILE 200 CO -0.05 0.57 0.00 -0.89 0.00 0.00 0.00 174.94 174.57 3gl4 s THR 201 N -0.26 0.12 -0.00 2.92 2.01 -1.26 -1.60 115.64 117.57 3gl4 s THR 201 Ca 0.00 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 3gl4 s THR 201 Cb -0.13 -0.21 0.00 0.00 0.01 0.00 0.00 72.50 72.17 3gl4 s THR 201 CO 0.03 0.12 0.00 -0.75 -0.69 0.00 0.00 174.62 173.33 3gl4 s LYS 202 N 0.92 -0.01 -0.05 4.92 2.20 -0.71 -4.59 119.74 122.43 3gl4 s LYS 202 Ca -0.09 0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 3gl4 s LYS 202 Cb -0.12 -0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.13 3gl4 s LYS 202 CO -0.02 -0.02 -0.11 -0.65 -0.36 0.00 0.00 175.35 174.18 3gl4 s GLN 203 N 0.16 2.56 0.04 4.03 -0.21 -1.26 -0.62 119.66 124.36 3gl4 s GLN 203 Ca -0.01 -0.66 -0.09 0.00 0.02 0.00 0.00 55.36 54.61 3gl4 s GLN 203 Cb -0.02 -2.45 0.00 0.00 1.00 0.00 0.00 33.01 31.54 3gl4 s GLN 203 CO -0.00 0.63 0.19 0.00 -2.12 0.00 0.00 175.29 173.98 3gl4 s MET 204 N -0.87 0.70 -0.21 2.91 0.23 -0.15 -5.00 119.30 116.91 3gl4 s MET 204 Ca 0.13 -0.66 -0.21 0.00 -1.03 0.00 0.00 55.69 53.91 3gl4 s MET 204 Cb -0.11 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 3gl4 s MET 204 CO 0.02 -0.20 0.66 1.03 -2.03 0.00 0.00 175.02 174.49 3gl4 s ARG 205 N -2.66 4.19 -0.48 3.16 1.81 -1.26 -0.96 118.95 122.74 3gl4 s ARG 205 Ca -0.04 0.65 -0.28 0.00 -1.72 0.00 0.00 55.73 54.33 3gl4 s ARG 205 Cb -0.01 -3.60 0.01 0.00 -0.45 0.00 0.00 34.95 30.91 3gl4 s ARG 205 CO -0.04 -0.31 1.39 0.34 -0.68 0.00 0.00 175.30 176.00 3gl4 s ASP 206 N 1.27 6.28 0.00 0.23 2.15 -1.26 -4.91 116.67 120.43 3gl4 s ASP 206 Ca 0.29 0.57 0.16 0.00 0.43 0.00 0.00 52.55 54.01 3gl4 s ASP 206 Cb -0.16 -2.54 0.98 0.00 -0.30 0.00 0.00 42.92 40.90 3gl4 s ASP 206 CO 0.10 -1.53 1.41 0.35 -0.17 0.00 0.00 175.17 175.33 3gl4 n THR 207 N 6.98 0.00 0.03 1.71 -2.24 -1.26 -2.34 114.28 117.16 3gl4 n THR 207 Ca 0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.76 3gl4 n THR 207 Cb 0.49 -0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 3gl4 n THR 207 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3gl4 h SER 208 N 0.00 0.32 -3.36 3.42 4.64 -2.02 -3.44 113.55 113.12 3gl4 h SER 208 Ca 0.00 -0.58 -0.56 0.00 -0.47 0.00 0.00 61.79 60.19 3gl4 h SER 208 Cb 0.00 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 61.92 3gl4 h SER 208 CO 0.00 1.50 0.98 -0.62 -0.87 0.00 0.00 176.83 177.83 3gl4 s ASP 209 N -6.82 6.47 0.04 4.97 2.15 -0.99 -4.90 116.67 117.59 3gl4 s ASP 209 Ca -0.13 0.33 0.18 0.00 0.43 0.00 0.00 52.55 53.36 3gl4 s ASP 209 Cb 0.07 -2.55 0.76 0.00 -0.30 0.00 0.00 42.92 40.90 3gl4 s ASP 209 CO 0.82 -1.42 1.57 0.29 -0.17 0.00 0.00 175.17 176.26 3gl4 n LYS 210 N 8.22 0.03 -1.80 4.34 4.01 -1.26 -4.84 118.16 126.87 3gl4 n LYS 210 Ca 0.11 0.24 -0.31 0.00 -0.51 0.00 0.00 58.31 57.84 3gl4 n LYS 210 Cb 0.49 -1.56 0.04 0.00 -0.51 0.00 0.00 35.03 33.49 3gl4 n LYS 210 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3gl4 s ARG 211 N -3.05 3.12 -0.36 1.97 0.52 -1.26 -4.96 118.95 114.94 3gl4 s ARG 211 Ca 0.08 0.68 -0.28 0.00 -0.52 0.00 0.00 55.73 55.68 3gl4 s ARG 211 Cb 0.11 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.54 3gl4 s ARG 211 CO 0.33 -0.90 1.69 0.34 0.02 0.00 0.00 175.30 176.78 3gl4 s ASP 212 N -4.15 6.02 0.18 0.23 2.15 -1.26 -4.93 116.67 114.91 3gl4 s ASP 212 Ca 0.57 1.16 -0.07 0.00 0.43 0.00 0.00 52.55 54.64 3gl4 s ASP 212 Cb -0.12 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.95 3gl4 s ASP 212 CO 0.53 -1.63 0.25 -1.38 -0.17 0.00 0.00 175.17 172.78 3gl4 s HIS 213 N 6.47 0.64 0.05 -5.34 -3.43 -1.26 -1.15 115.29 111.27 3gl4 s HIS 213 Ca 0.74 -0.97 0.03 0.00 -0.80 0.00 0.00 55.06 54.06 3gl4 s HIS 213 Cb -0.20 -0.19 -0.03 0.00 -1.43 0.00 0.00 32.58 30.74 3gl4 s HIS 213 CO 0.33 -0.73 -0.09 0.14 -2.00 0.00 0.00 174.74 172.40 3gl4 s VAL 214 N -4.04 0.65 -0.15 -5.38 -7.23 0.10 -4.81 120.40 99.54 3gl4 s VAL 214 Ca 0.24 -1.19 -0.07 0.00 -1.81 0.00 0.00 61.98 59.15 3gl4 s VAL 214 Cb 0.04 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 3gl4 s VAL 214 CO 0.05 -0.40 0.11 0.00 -0.31 0.00 0.00 175.10 174.54 3gl4 s GLN 216 N -0.38 0.54 -0.15 0.00 0.74 -0.51 -0.98 119.66 118.92 3gl4 s GLN 216 Ca 0.11 0.11 -0.07 0.00 0.05 0.00 0.00 55.36 55.56 3gl4 s GLN 216 Cb -0.12 -0.88 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 3gl4 s GLN 216 CO 0.01 -0.28 0.12 0.50 -0.55 0.00 0.00 175.29 175.09 3gl4 s ARG 217 N 1.84 3.68 -0.05 1.67 3.52 0.21 -1.78 118.95 128.04 3gl4 s ARG 217 Ca 0.03 -0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.44 3gl4 s ARG 217 Cb -0.12 -3.22 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 3gl4 s ARG 217 CO -0.04 0.57 -0.10 -2.00 -0.81 0.00 0.00 175.30 172.92 3gl4 s GLU 218 N -0.45 1.38 -0.28 5.12 2.12 0.14 -1.74 118.70 124.98 3gl4 s GLU 218 Ca 0.11 -0.33 -0.08 0.00 0.36 0.00 0.00 54.97 55.03 3gl4 s GLU 218 Cb -0.12 -1.19 -0.01 0.00 0.26 0.00 0.00 34.13 33.07 3gl4 s GLU 218 CO 0.02 0.03 0.09 0.08 -0.54 0.00 0.00 175.26 174.94 3gl4 s VAL 219 N 0.60 4.23 -0.04 3.70 1.01 -0.63 -1.26 120.40 128.01 3gl4 s VAL 219 Ca -0.11 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3gl4 s VAL 219 Cb -0.14 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.17 3gl4 s VAL 219 CO 0.02 0.17 0.01 0.00 0.00 0.00 0.00 175.10 175.31 3gl4 s ALA 220 N 1.57 0.37 -0.02 5.51 0.00 -0.44 -0.96 121.76 127.79 3gl4 s ALA 220 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 3gl4 s ALA 220 Cb -0.16 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.49 3gl4 s ALA 220 CO 0.04 -0.24 0.06 1.52 0.00 0.00 0.00 175.76 177.13 3gl4 s TYR 221 N 1.46 -0.06 0.38 0.00 1.13 -0.71 -2.22 117.35 117.34 3gl4 s TYR 221 Ca -0.04 0.14 -0.08 0.00 -1.41 0.00 0.00 57.07 55.69 3gl4 s TYR 221 Cb -0.13 0.02 -0.05 0.00 -1.10 0.00 0.00 41.96 40.69 3gl4 s TYR 221 CO -0.03 -0.03 0.70 0.00 -2.51 0.00 0.00 175.55 173.68 3gl4 s ALA 222 N 0.00 3.45 0.14 9.51 0.00 -0.84 -1.04 121.76 132.99 3gl4 s ALA 222 Ca -0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 3gl4 s ALA 222 Cb -0.01 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.63 3gl4 s ALA 222 CO 0.00 0.01 0.52 -3.38 0.00 0.00 0.00 175.76 172.91 3gl4 s HIS 223 N -2.34 -0.40 0.38 0.00 -3.43 -0.89 -4.55 115.29 104.06 3gl4 s HIS 223 Ca 0.48 0.15 0.06 0.00 -0.80 0.00 0.00 55.06 54.94 3gl4 s HIS 223 Cb -0.10 0.43 -0.07 0.00 -1.43 0.00 0.00 32.58 31.41 3gl4 s HIS 223 CO 0.33 -0.79 0.03 -1.54 -2.00 0.00 0.00 174.74 170.78 3gl4 s SER 224 N -2.77 3.32 -0.17 7.38 1.04 -1.26 -2.06 113.70 119.18 3gl4 s SER 224 Ca 0.02 -1.39 0.01 0.00 0.48 0.00 0.00 55.95 55.07 3gl4 s SER 224 Cb 0.00 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.90 3gl4 s SER 224 CO -0.13 -0.53 -0.20 -0.69 0.98 0.00 0.00 173.24 172.68 3gl4 s VAL 225 N -2.94 2.10 -0.13 5.02 1.01 -1.26 -5.02 120.40 119.18 3gl4 s VAL 225 Ca 0.35 -0.94 -0.41 0.00 0.00 0.00 0.00 61.98 60.98 3gl4 s VAL 225 Cb 0.09 -1.87 -0.18 0.00 0.00 0.00 0.00 36.38 34.42 3gl4 s VAL 225 CO 0.17 0.54 1.37 -0.81 0.00 0.00 0.00 175.10 176.36 3gl4 n PRO 226 N 4.49 0.51 -3.29 2.72 -0.04 -1.26 -4.94 135.00 133.18 3gl4 n PRO 226 Ca -0.21 0.18 -0.46 0.00 -0.04 0.00 0.00 63.50 62.98 3gl4 n PRO 226 Cb 0.50 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 3gl4 n PRO 226 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gl4 s ARG 227 N 1.36 3.10 0.08 0.54 0.52 -1.26 -5.05 118.95 118.24 3gl4 s ARG 227 Ca 0.93 -1.80 -0.36 0.00 -0.52 0.00 0.00 55.73 53.99 3gl4 s ARG 227 Cb -1.20 -4.32 -0.18 0.00 0.52 0.00 0.00 34.95 29.77 3gl4 s ARG 227 CO 0.61 -1.35 1.08 0.44 0.02 0.00 0.00 175.30 176.10 3gl4 n ILE 228 N 5.07 0.44 -0.09 1.52 -5.35 -1.26 -4.94 119.36 114.76 3gl4 n ILE 228 Ca -0.09 -0.11 -0.15 0.00 -0.27 0.00 0.00 62.75 62.13 3gl4 n ILE 228 Cb 0.41 -0.37 -0.05 0.00 -1.74 0.00 0.00 39.64 37.89 3gl4 n ILE 228 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3gl4 n THR 229 N 1.54 1.37 -2.15 7.28 -2.24 -1.26 -4.90 114.28 113.92 3gl4 n THR 229 Ca 0.18 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.52 3gl4 n THR 229 Cb 0.16 -2.04 -0.02 0.00 -2.10 0.00 0.00 70.33 66.33 3gl4 n THR 229 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gl4 s SER 230 N -6.42 6.83 -0.08 3.42 1.04 -1.26 -4.86 113.70 112.36 3gl4 s SER 230 Ca -0.27 2.59 0.05 0.00 0.48 0.00 0.00 55.95 58.80 3gl4 s SER 230 Cb 0.07 -2.64 0.28 0.00 0.10 0.00 0.00 66.02 63.84 3gl4 s SER 230 CO 0.38 -0.52 0.93 0.00 0.98 0.00 0.00 173.24 175.01 3gl4 n ALA 231 N 1.39 2.98 0.00 5.32 0.00 -1.26 -4.45 120.51 124.49 3gl4 n ALA 231 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3gl4 n ALA 231 Cb 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3gl4 n ALA 231 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3gl4 n ILE 232 N 0.21 0.02 -1.97 0.00 -5.35 -1.26 -5.29 119.36 105.72 3gl4 n ILE 232 Ca 0.10 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 3gl4 n ILE 232 Cb 0.58 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 3gl4 n ILE 232 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40