#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 1.02 1.50 0.62 0.00 -1.26 -4.91 105.19 102.16 3gl4 n GLY 3 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3gl4 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gl4 n GLY 4 N 0.00 -0.06 0.28 -0.02 0.00 -1.26 -4.28 105.19 99.85 3gl4 n GLY 4 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3gl4 n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gl4 h PRO 5 N 0.00 0.00 -0.72 1.61 0.11 -1.88 -2.54 132.00 128.58 3gl4 h PRO 5 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gl4 h PRO 5 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 3gl4 h PRO 5 CO 0.00 0.07 0.44 0.00 -0.21 0.00 0.00 178.00 178.30 3gl4 h ALA 6 N 1.93 1.43 0.00 -0.75 0.00 -1.93 -2.36 119.26 117.58 3gl4 h ALA 6 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3gl4 h ALA 6 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gl4 h ALA 6 CO 0.01 0.50 -0.23 -0.07 0.00 0.00 0.00 179.25 179.46 3gl4 h LEU 7 N 0.99 0.00 -1.26 0.00 3.38 -1.71 -3.11 115.31 113.60 3gl4 h LEU 7 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3gl4 h LEU 7 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gl4 h LEU 7 CO -0.05 0.23 0.00 0.49 0.09 0.00 0.00 178.44 179.20 3gl4 n PHE 8 N -3.86 0.32 1.28 1.13 3.72 -0.89 -4.25 117.46 114.91 3gl4 n PHE 8 Ca -0.02 -0.16 0.14 0.00 -0.05 0.00 0.00 57.45 57.36 3gl4 n PHE 8 Cb 0.32 0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.55 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 0.47 0.35 -3.40 -1.08 6.02 -1.18 -4.77 117.38 113.80 3gl4 n GLN 9 Ca 0.15 0.02 -0.22 0.00 -0.01 0.00 0.00 57.00 56.94 3gl4 n GLN 9 Cb 0.34 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.09 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 -2.62 6.09 0.96 1.08 1.04 -1.26 -4.86 113.70 114.13 3gl4 s SER 10 Ca 0.25 0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.75 3gl4 s SER 10 Cb 0.19 -1.67 0.13 0.00 0.10 0.00 0.00 66.02 64.77 3gl4 s SER 10 CO 0.44 -0.40 0.87 0.47 0.98 0.00 0.00 173.24 175.59 3gl4 n ASP 11 N -1.76 -0.69 -3.77 7.02 9.92 -1.26 -4.33 116.55 121.67 3gl4 n ASP 11 Ca -0.03 0.31 -0.13 0.00 -0.53 0.00 0.00 54.79 54.42 3gl4 n ASP 11 Cb 0.57 -1.36 -0.09 0.00 -0.64 0.00 0.00 41.12 39.60 3gl4 n ASP 11 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3gl4 s MET 12 N -4.27 0.57 0.31 -1.24 -1.94 -0.14 -4.91 119.30 107.68 3gl4 s MET 12 Ca 0.64 -0.04 0.09 0.00 -1.71 0.00 0.00 55.69 54.66 3gl4 s MET 12 Cb -0.22 0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.83 3gl4 s MET 12 CO 0.62 -0.14 0.09 0.95 -0.01 0.00 0.00 175.02 176.53 3gl4 s THR 13 N -0.93 3.24 -0.02 2.05 -4.23 -1.19 -1.24 115.64 113.31 3gl4 s THR 13 Ca -0.10 -1.77 -0.28 0.00 -1.18 0.00 0.00 61.69 58.36 3gl4 s THR 13 Cb -0.05 -2.95 0.06 0.00 1.34 0.00 0.00 72.50 70.91 3gl4 s THR 13 CO 0.03 -0.26 0.62 0.72 -0.54 0.00 0.00 174.62 175.18 3gl4 s PHE 14 N -2.38 -0.57 -0.06 3.99 -0.71 -0.26 -2.74 117.98 115.26 3gl4 s PHE 14 Ca 0.35 0.91 0.04 0.00 -1.04 0.00 0.00 56.93 57.18 3gl4 s PHE 14 Cb -0.04 0.38 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 3gl4 s PHE 14 CO 0.22 -0.61 -0.16 0.21 -1.34 0.00 0.00 175.22 173.54 3gl4 s LYS 15 N -1.52 1.86 -0.26 1.99 2.47 0.82 0.82 119.74 125.92 3gl4 s LYS 15 Ca -0.10 -0.56 0.01 0.00 -1.56 0.00 0.00 55.97 53.76 3gl4 s LYS 15 Cb -0.01 -1.56 0.07 0.00 -1.46 0.00 0.00 37.83 34.88 3gl4 s LYS 15 CO 0.07 0.16 -0.02 0.42 0.16 0.00 0.00 175.35 176.13 3gl4 s ILE 16 N 0.27 1.59 -0.51 5.43 1.01 0.84 0.11 121.20 129.95 3gl4 s ILE 16 Ca -0.09 -1.42 -0.16 0.00 0.00 0.00 0.00 60.65 58.98 3gl4 s ILE 16 Cb -0.13 -1.93 0.11 0.00 0.01 0.00 0.00 42.46 40.51 3gl4 s ILE 16 CO 0.03 -0.24 0.46 -0.36 0.00 0.00 0.00 174.94 174.83 3gl4 s PHE 17 N 1.34 3.25 -0.01 3.97 0.40 0.40 -0.78 117.98 126.54 3gl4 s PHE 17 Ca -0.02 -1.14 -0.15 0.00 -0.60 0.00 0.00 56.93 55.02 3gl4 s PHE 17 Cb -0.19 -3.53 -0.06 0.00 0.51 0.00 0.00 43.02 39.75 3gl4 s PHE 17 CO -0.09 -0.93 0.42 0.42 0.70 0.00 0.00 175.22 175.75 3gl4 s ILE 18 N 1.62 5.03 -0.46 0.64 1.01 0.71 -0.43 121.20 129.31 3gl4 s ILE 18 Ca 0.03 0.87 0.03 0.00 0.00 0.00 0.00 60.65 61.58 3gl4 s ILE 18 Cb -0.28 -3.73 0.15 0.00 0.01 0.00 0.00 42.46 38.61 3gl4 s ILE 18 CO 0.05 0.55 0.29 -0.62 0.00 0.00 0.00 174.94 175.20 3gl4 s ASP 19 N -0.88 3.36 0.00 3.58 2.15 0.35 -1.48 116.67 123.76 3gl4 s ASP 19 Ca 0.24 -2.82 0.00 0.00 0.43 0.00 0.00 52.55 50.40 3gl4 s ASP 19 Cb -0.17 -0.95 0.00 0.00 -0.30 0.00 0.00 42.92 41.50 3gl4 s ASP 19 CO 0.13 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 3gl4 n GLY 20 N 3.27 2.81 3.63 2.66 0.00 -0.79 -3.36 105.19 113.41 3gl4 n GLY 20 Ca 0.14 -2.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 3gl4 n GLY 20 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gl4 s GLU 21 N -0.56 0.13 -0.20 1.61 4.04 -0.79 -2.21 118.70 120.73 3gl4 s GLU 21 Ca 0.00 -0.02 -0.04 0.00 0.04 0.00 0.00 54.97 54.95 3gl4 s GLU 21 Cb 0.00 0.06 0.10 0.00 0.02 0.00 0.00 34.13 34.31 3gl4 s GLU 21 CO 0.00 -0.05 0.25 0.54 -1.84 0.00 0.00 175.26 174.16 3gl4 s VAL 22 N -1.72 -0.38 -1.18 1.83 0.11 -1.24 -1.72 120.40 116.10 3gl4 s VAL 22 Ca 0.10 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 3gl4 s VAL 22 Cb -0.01 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 3gl4 s VAL 22 CO -0.05 -0.15 0.00 0.59 -3.33 0.00 0.00 175.10 172.17 3gl4 n ASN 23 N 5.33 -3.91 0.00 3.54 3.02 0.56 -3.52 115.26 120.27 3gl4 n ASN 23 Ca -0.05 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3gl4 n ASN 23 Cb 0.50 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 3gl4 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gl4 n GLY 24 N -0.04 4.27 3.56 7.41 0.00 -1.26 -5.07 105.19 114.05 3gl4 n GLY 24 Ca -0.11 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 3gl4 n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gl4 s GLN 25 N 0.00 3.01 0.34 1.61 -0.21 -1.23 -4.96 119.66 118.22 3gl4 s GLN 25 Ca 0.00 -0.49 -0.28 0.00 0.02 0.00 0.00 55.36 54.62 3gl4 s GLN 25 Cb 0.00 -5.00 -0.12 0.00 1.00 0.00 0.00 33.01 28.88 3gl4 s GLN 25 CO 0.00 -2.75 1.27 1.17 -2.12 0.00 0.00 175.29 172.86 3gl4 n LYS 26 N 8.96 2.06 -4.07 2.91 4.81 -1.26 -3.72 118.16 127.85 3gl4 n LYS 26 Ca 0.31 0.72 -0.10 0.00 -0.87 0.00 0.00 58.31 58.38 3gl4 n LYS 26 Cb 0.49 -2.30 -0.07 0.00 0.02 0.00 0.00 35.03 33.18 3gl4 n LYS 26 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 3gl4 s PHE 27 N -1.10 0.66 -0.03 5.64 -0.71 -0.94 -4.94 117.98 116.58 3gl4 s PHE 27 Ca 0.56 -0.97 0.02 0.00 -1.04 0.00 0.00 56.93 55.49 3gl4 s PHE 27 Cb -0.57 -0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.13 3gl4 s PHE 27 CO 0.62 -0.84 -0.07 0.99 -1.34 0.00 0.00 175.22 174.58 3gl4 s THR 28 N -4.07 0.62 -0.11 -4.49 2.01 -1.26 -1.88 115.64 106.46 3gl4 s THR 28 Ca 0.28 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 3gl4 s THR 28 Cb 0.03 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.98 3gl4 s THR 28 CO 0.09 0.21 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 3gl4 s ILE 29 N 0.39 0.93 -0.08 1.82 1.01 -0.55 -0.21 121.20 124.52 3gl4 s ILE 29 Ca -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 3gl4 s ILE 29 Cb -0.10 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 3gl4 s ILE 29 CO 0.00 0.35 -0.04 -0.69 0.00 0.00 0.00 174.94 174.57 3gl4 s VAL 30 N 1.72 3.97 0.04 2.92 1.01 -0.81 -0.21 120.40 129.04 3gl4 s VAL 30 Ca 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3gl4 s VAL 30 Cb -0.13 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 3gl4 s VAL 30 CO -0.08 0.60 0.14 0.00 0.00 0.00 0.00 175.10 175.77 3gl4 s ALA 31 N -0.83 -0.21 0.14 5.51 0.00 0.04 0.08 121.76 126.49 3gl4 s ALA 31 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 3gl4 s ALA 31 Cb -0.11 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 3gl4 s ALA 31 CO 0.02 -0.33 0.14 0.16 0.00 0.00 0.00 175.76 175.75 3gl4 s ASP 32 N -2.07 0.21 -0.03 0.00 -4.77 -0.35 -0.11 116.67 109.54 3gl4 s ASP 32 Ca -0.05 -1.06 -0.11 0.00 -3.30 0.00 0.00 52.55 48.03 3gl4 s ASP 32 Cb -0.01 0.35 0.02 0.00 -1.09 0.00 0.00 42.92 42.18 3gl4 s ASP 32 CO -0.04 -0.79 0.23 -0.83 0.70 0.00 0.00 175.17 174.45 3gl4 s GLY 33 N -3.01 -0.09 -0.10 2.12 0.00 0.24 -2.90 107.32 103.58 3gl4 s GLY 33 Ca 0.21 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.21 3gl4 s GLY 33 CO 0.01 0.11 -0.15 -0.45 0.00 0.00 0.00 173.10 172.61 3gl4 s SER 34 N -0.97 2.37 -0.16 1.64 0.15 -1.25 -1.10 113.70 114.40 3gl4 s SER 34 Ca -0.10 -0.41 -0.07 0.00 0.70 0.00 0.00 55.95 56.07 3gl4 s SER 34 Cb -0.05 -1.06 0.07 0.00 -1.71 0.00 0.00 66.02 63.26 3gl4 s SER 34 CO 0.02 0.02 0.35 -0.55 1.20 0.00 0.00 173.24 174.28 3gl4 s SER 35 N 0.94 -0.16 -0.25 5.45 0.15 -0.38 -3.66 113.70 115.79 3gl4 s SER 35 Ca -0.08 0.80 -0.10 0.00 0.70 0.00 0.00 55.95 57.27 3gl4 s SER 35 Cb -0.15 0.90 -0.05 0.00 -1.71 0.00 0.00 66.02 65.01 3gl4 s SER 35 CO -0.01 -0.21 0.16 -0.54 1.20 0.00 0.00 173.24 173.84 3gl4 s LYS 36 N 2.06 4.02 0.04 5.44 1.02 -1.26 -0.96 119.74 130.10 3gl4 s LYS 36 Ca -0.04 -0.29 -0.36 0.00 0.02 0.00 0.00 55.97 55.30 3gl4 s LYS 36 Cb -0.11 -3.54 -0.19 0.00 -0.52 0.00 0.00 37.83 33.47 3gl4 s LYS 36 CO -0.11 0.00 0.92 0.34 -0.92 0.00 0.00 175.35 175.58 3gl4 n PHE 37 N 4.46 0.37 -0.36 3.18 7.35 -1.26 0.77 117.46 131.97 3gl4 n PHE 37 Ca -0.15 1.01 -0.07 0.00 -0.76 0.00 0.00 57.45 57.47 3gl4 n PHE 37 Cb 0.52 -1.99 0.18 0.00 0.35 0.00 0.00 39.48 38.53 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 1.34 2.53 0.00 -7.13 -0.04 -1.26 -4.96 135.00 125.48 3gl4 n PRO 38 Ca 0.19 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 3gl4 n PRO 38 Cb 0.11 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 -0.17 -0.85 0.00 0.54 8.25 0.23 -4.65 115.22 118.57 3gl4 n HIS 39 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 3gl4 n HIS 39 Cb 1.10 0.15 0.00 0.00 1.12 0.00 0.00 29.99 32.36 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 2.89 2.90 -1.41 0.00 0.52 -4.72 105.19 105.37 3gl4 n GLY 40 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3gl4 n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gl4 s ASP 41 N 0.32 2.24 0.06 1.61 -1.08 -1.26 -1.82 116.67 116.73 3gl4 s ASP 41 Ca 0.00 -0.33 -0.23 0.00 -0.52 0.00 0.00 52.55 51.47 3gl4 s ASP 41 Cb 0.00 -0.84 0.05 0.00 -1.46 0.00 0.00 42.92 40.67 3gl4 s ASP 41 CO 0.00 -0.13 0.54 0.72 0.52 0.00 0.00 175.17 176.82 3gl4 s PHE 42 N 1.71 -0.45 0.16 -5.34 -0.71 -1.11 -4.43 117.98 107.82 3gl4 s PHE 42 Ca 0.05 0.48 0.10 0.00 -1.04 0.00 0.00 56.93 56.51 3gl4 s PHE 42 Cb -0.13 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 3gl4 s PHE 42 CO -0.08 -0.67 -0.21 -0.80 -1.34 0.00 0.00 175.22 172.12 3gl4 s ASN 43 N -2.05 2.97 -0.04 1.98 0.02 -1.24 -1.53 114.94 115.05 3gl4 s ASN 43 Ca -0.05 -0.83 0.04 0.00 -1.02 0.00 0.00 52.86 51.01 3gl4 s ASN 43 Cb -0.01 -0.19 -0.00 0.00 0.02 0.00 0.00 41.25 41.07 3gl4 s ASN 43 CO -0.03 0.05 -0.15 -0.69 0.02 0.00 0.00 177.10 176.31 3gl4 s VAL 44 N -1.69 1.25 -0.22 1.60 1.01 0.21 -3.74 120.40 118.82 3gl4 s VAL 44 Ca 0.16 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3gl4 s VAL 44 Cb -0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 3gl4 s VAL 44 CO 0.07 0.37 0.02 -2.28 0.00 0.00 0.00 175.10 173.28 3gl4 s HIS 45 N 0.05 3.05 -0.03 5.22 2.46 -1.14 -0.71 115.29 124.19 3gl4 s HIS 45 Ca -0.03 -0.49 0.03 0.00 0.47 0.00 0.00 55.06 55.04 3gl4 s HIS 45 Cb -0.10 -2.14 -0.00 0.00 -0.13 0.00 0.00 32.58 30.20 3gl4 s HIS 45 CO 0.02 -0.31 -0.12 0.00 -2.47 0.00 0.00 174.74 171.85 3gl4 s ALA 46 N 1.27 1.12 -0.14 1.58 0.00 -1.06 -1.21 121.76 123.31 3gl4 s ALA 46 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.52 3gl4 s ALA 46 Cb -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.63 3gl4 s ALA 46 CO 0.02 0.21 -0.17 0.08 0.00 0.00 0.00 175.76 175.90 3gl4 s VAL 47 N 0.03 1.73 -0.53 0.00 1.01 0.11 -2.17 120.40 120.58 3gl4 s VAL 47 Ca -0.01 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 3gl4 s VAL 47 Cb -0.09 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3gl4 s VAL 47 CO 0.01 0.49 1.82 0.00 0.00 0.00 0.00 175.10 177.42 3gl4 h GLU 49 N 14.26 0.00 -1.20 0.00 5.08 -0.90 -2.25 114.58 129.57 3gl4 h GLU 49 Ca -0.28 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.64 3gl4 h GLU 49 Cb 1.16 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.21 3gl4 h GLU 49 CO 1.16 0.00 0.56 0.25 -1.00 0.00 0.00 179.01 179.99 3gl4 n THR 50 N -2.40 2.94 0.00 1.13 -2.24 -1.20 -4.92 114.28 107.60 3gl4 n THR 50 Ca 0.04 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 3gl4 n THR 50 Cb 0.36 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.34 1.40 3.79 3.38 0.00 -0.85 -4.75 105.19 107.83 3gl4 n GLY 51 Ca 0.43 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 46.34 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 3.73 -0.05 1.61 2.47 -1.26 -3.14 119.74 123.10 3gl4 s LYS 52 Ca 0.00 -0.21 -0.30 0.00 -1.56 0.00 0.00 55.97 53.91 3gl4 s LYS 52 Cb 0.00 -3.24 -0.02 0.00 -1.46 0.00 0.00 37.83 33.10 3gl4 s LYS 52 CO 0.00 0.55 1.03 -1.17 0.16 0.00 0.00 175.35 175.91 3gl4 s LEU 53 N -0.37 4.30 0.00 5.43 2.96 -1.26 -4.95 118.68 124.79 3gl4 s LEU 53 Ca 0.11 1.64 0.18 0.00 -0.22 0.00 0.00 54.13 55.83 3gl4 s LEU 53 Cb -0.12 -3.56 0.92 0.00 0.50 0.00 0.00 46.19 43.93 3gl4 s LEU 53 CO 0.01 -0.39 1.52 -2.65 -1.32 0.00 0.00 176.35 173.52 3gl4 n PRO 54 N 4.53 0.30 -4.01 0.98 -0.02 -1.26 -4.81 135.00 130.71 3gl4 n PRO 54 Ca 0.08 0.10 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 3gl4 n PRO 54 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 3gl4 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gl4 s MET 55 N -2.48 1.92 0.85 -0.52 0.23 -1.26 -4.94 119.30 113.10 3gl4 s MET 55 Ca 0.18 -1.60 -0.16 0.00 -1.03 0.00 0.00 55.69 53.07 3gl4 s MET 55 Cb 0.12 0.49 -0.11 0.00 -1.53 0.00 0.00 34.83 33.80 3gl4 s MET 55 CO 0.26 -0.82 -0.29 0.45 -2.03 0.00 0.00 175.02 172.59 3gl4 n SER 56 N -1.24 -4.26 -0.43 -1.18 2.88 -0.47 -4.90 113.62 104.02 3gl4 n SER 56 Ca -0.01 0.36 0.12 0.00 -1.33 0.00 0.00 58.87 58.00 3gl4 n SER 56 Cb 0.61 -0.91 0.10 0.00 -0.75 0.00 0.00 64.21 63.26 3gl4 n SER 56 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3gl4 n TRP 57 N -2.45 0.00 0.35 0.66 7.02 -1.26 -4.56 117.44 117.20 3gl4 n TRP 57 Ca 0.03 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.37 3gl4 n TRP 57 Cb 0.53 -0.03 -0.07 0.00 -2.42 0.00 0.00 31.31 29.32 3gl4 n TRP 57 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3gl4 h LYS 58 N 2.12 -0.88 0.00 -0.99 1.79 -1.94 -2.56 116.57 114.11 3gl4 h LYS 58 Ca 0.00 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3gl4 h LYS 58 Cb 0.69 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3gl4 h LYS 58 CO 0.00 -0.58 0.02 -2.30 -1.08 0.00 0.00 179.45 175.50 3gl4 n PRO 59 N -4.66 0.00 0.16 3.15 -0.02 -1.26 -0.38 135.00 131.99 3gl4 n PRO 59 Ca -0.11 0.25 0.09 0.00 -2.02 0.00 0.00 63.50 61.70 3gl4 n PRO 59 Cb 0.36 -1.52 0.08 0.00 -0.02 0.00 0.00 33.50 32.40 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 0.26 -0.92 4.25 1.08 -1.71 -3.39 117.51 117.07 3gl4 h ILE 60 Ca 0.00 -1.39 0.16 0.00 -0.39 0.00 0.00 64.86 63.24 3gl4 h ILE 60 Cb 0.03 2.01 -0.16 0.00 -3.07 0.00 0.00 36.82 35.63 3gl4 h ILE 60 CO 0.00 0.15 -0.34 0.00 -0.69 0.00 0.00 178.15 177.27 3gl4 h HIS 62 N -0.02 0.00 -0.32 0.00 2.07 -1.82 -1.92 115.15 113.14 3gl4 h HIS 62 Ca 0.36 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.79 3gl4 h HIS 62 Cb 0.62 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.58 3gl4 h HIS 62 CO -0.80 0.20 -0.19 -0.07 -3.07 0.00 0.00 177.93 174.01 3gl4 h LEU 63 N 0.00 0.58 -5.69 6.12 3.38 -0.52 -3.42 115.31 115.76 3gl4 h LEU 63 Ca -0.00 -0.18 -0.78 0.00 0.09 0.00 0.00 57.88 57.01 3gl4 h LEU 63 Cb 0.42 -0.16 -0.28 0.00 0.09 0.00 0.00 40.66 40.73 3gl4 h LEU 63 CO 0.03 0.77 0.96 2.30 0.09 0.00 0.00 178.44 182.59 3gl4 n ILE 64 N -4.15 4.96 0.00 1.22 -5.35 -0.72 -5.07 119.36 110.25 3gl4 n ILE 64 Ca 0.00 -5.29 0.00 0.00 -0.27 0.00 0.00 62.75 57.19 3gl4 n ILE 64 Cb 0.38 -1.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.86 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 -0.26 0.00 -0.15 6.28 -0.58 -1.26 -4.95 120.64 119.71 3gl4 n GLU 68 Ca 0.49 0.00 0.21 0.00 -0.42 0.00 0.00 57.16 57.44 3gl4 n GLU 68 Cb 0.26 0.00 0.61 0.00 -0.57 0.00 0.00 31.44 31.74 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 0.19 0.00 3.49 0.13 -1.98 0.17 132.00 134.01 3gl4 h PRO 69 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3gl4 h PRO 69 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 3gl4 h PRO 69 CO 0.00 0.13 0.00 0.27 -0.23 0.00 0.00 178.00 178.17 3gl4 h PHE 70 N 0.20 0.00 -0.00 1.56 -0.00 -1.98 -2.19 116.94 114.52 3gl4 h PHE 70 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.35 3gl4 h PHE 70 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 3gl4 h PHE 70 CO -0.00 0.00 -0.38 1.19 -0.00 0.00 0.00 178.31 179.12 3gl4 n PHE 71 N -2.77 0.00 -1.83 6.09 3.72 0.59 -4.77 117.46 118.49 3gl4 n PHE 71 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 3gl4 n PHE 71 Cb 0.12 -0.17 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.73 3.28 -0.25 4.37 0.00 -0.83 -0.35 121.76 125.25 3gl4 s ALA 72 Ca 0.18 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 53.36 3gl4 s ALA 72 Cb 0.18 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3gl4 s ALA 72 CO 0.61 -1.13 0.75 0.50 0.00 0.00 0.00 175.76 176.49 3gl4 s ARG 73 N -2.38 4.15 -0.08 0.00 3.52 -0.72 -4.61 118.95 118.83 3gl4 s ARG 73 Ca 0.60 0.79 -0.04 0.00 -0.13 0.00 0.00 55.73 56.94 3gl4 s ARG 73 Cb -0.43 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 3gl4 s ARG 73 CO 0.56 -0.48 0.10 0.71 -0.81 0.00 0.00 175.30 175.38 3gl4 s TYR 74 N 2.72 3.45 0.49 5.12 1.51 -1.26 -1.52 117.35 127.86 3gl4 s TYR 74 Ca 0.32 0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 56.58 3gl4 s TYR 74 Cb -0.15 -1.86 -0.09 0.00 -0.11 0.00 0.00 41.96 39.75 3gl4 s TYR 74 CO 0.08 0.64 0.97 -1.25 -1.11 0.00 0.00 175.55 174.88 3gl4 s PRO 75 N -1.19 4.03 0.71 -1.71 0.04 -1.26 -5.00 135.00 130.61 3gl4 s PRO 75 Ca 0.17 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 62.05 3gl4 s PRO 75 Cb -0.12 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.29 3gl4 s PRO 75 CO 0.07 -0.20 1.23 -0.25 0.04 0.00 0.00 177.00 177.89 3gl4 n ASP 76 N -1.31 1.57 0.00 6.66 9.92 -1.26 -2.20 116.55 129.94 3gl4 n ASP 76 Ca 0.07 0.73 0.00 0.00 -0.53 0.00 0.00 54.79 55.06 3gl4 n ASP 76 Cb 0.54 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 3gl4 n ASP 76 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gl4 n GLY 77 N 0.82 3.18 3.35 0.44 0.00 -1.26 -4.98 105.19 106.73 3gl4 n GLY 77 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.25 3.62 0.20 -0.61 1.01 -0.93 -5.05 121.20 117.19 3gl4 s ILE 78 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 59.93 3gl4 s ILE 78 Cb 0.00 -2.67 -0.10 0.00 0.01 0.00 0.00 42.46 39.70 3gl4 s ILE 78 CO 0.00 0.40 1.56 -0.55 0.00 0.00 0.00 174.94 176.35 3gl4 s SER 79 N 1.52 6.56 -1.29 3.58 0.15 -1.26 -4.67 113.70 118.28 3gl4 s SER 79 Ca 0.06 2.68 -0.15 0.00 0.70 0.00 0.00 55.95 59.25 3gl4 s SER 79 Cb -0.14 -2.60 0.11 0.00 -1.71 0.00 0.00 66.02 61.67 3gl4 s SER 79 CO -0.01 -0.83 1.72 1.57 1.20 0.00 0.00 173.24 176.89 3gl4 n HIS 80 N 3.49 4.40 -0.21 3.44 -0.00 -1.26 -4.62 115.22 120.46 3gl4 n HIS 80 Ca 0.12 -3.03 -0.09 0.00 0.46 0.00 0.00 57.72 55.18 3gl4 n HIS 80 Cb 0.38 -2.39 -0.05 0.00 -0.12 0.00 0.00 29.99 27.82 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 6.97 -1.36 -0.82 1.57 3.57 -1.91 0.94 116.94 125.89 3gl4 h PHE 81 Ca 0.41 0.08 0.15 0.00 3.53 0.00 0.00 57.97 62.15 3gl4 h PHE 81 Cb 0.81 0.68 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 3gl4 h PHE 81 CO 1.30 -0.43 0.54 0.00 -2.23 0.00 0.00 178.31 177.49 3gl4 h ALA 82 N 0.55 2.02 0.00 2.41 0.00 -1.89 0.23 119.26 122.57 3gl4 h ALA 82 Ca 0.17 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3gl4 h ALA 82 Cb 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3gl4 h ALA 82 CO -0.69 -0.25 -0.87 1.96 0.00 0.00 0.00 179.25 179.40 3gl4 h GLN 83 N 0.52 0.00 0.00 0.00 4.20 -1.18 -3.24 115.11 115.41 3gl4 h GLN 83 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 3gl4 h GLN 83 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3gl4 h GLN 83 CO -0.16 0.87 0.00 0.93 -0.67 0.00 0.00 178.83 179.80 3gl4 h GLU 84 N 0.00 0.00 0.00 1.46 4.39 0.76 -2.85 114.58 118.33 3gl4 h GLU 84 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3gl4 h GLU 84 Cb 1.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 3gl4 h GLU 84 CO 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.96 3gl4 s PHE 86 N -2.67 3.34 -0.87 0.00 0.08 -1.08 0.12 117.98 116.90 3gl4 s PHE 86 Ca 0.05 0.19 0.27 0.00 0.12 0.00 0.00 56.93 57.56 3gl4 s PHE 86 Cb 0.04 -1.71 0.83 0.00 -0.57 0.00 0.00 43.02 41.61 3gl4 s PHE 86 CO 0.10 0.56 1.68 -0.35 -0.10 0.00 0.00 175.22 177.12 3gl4 n PRO 87 N 0.64 0.12 0.14 0.24 -0.04 -1.26 -4.15 135.00 130.68 3gl4 n PRO 87 Ca -0.09 0.07 0.17 0.00 -0.04 0.00 0.00 63.50 63.61 3gl4 n PRO 87 Cb 0.52 -1.61 0.76 0.00 -0.04 0.00 0.00 33.50 33.12 3gl4 n PRO 87 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gl4 h GLU 88 N 0.00 0.00 0.00 0.54 3.07 -1.88 -3.40 114.58 112.91 3gl4 h GLU 88 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gl4 h GLU 88 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3gl4 h GLU 88 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 3gl4 n GLY 89 N -1.50 -0.99 3.11 -3.84 0.00 0.32 -4.72 105.19 97.56 3gl4 n GLY 89 Ca 0.04 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.47 2.48 0.34 0.99 2.34 -1.22 -1.85 118.68 119.30 3gl4 s LEU 90 Ca 0.00 -0.97 0.08 0.00 0.06 0.00 0.00 54.13 53.30 3gl4 s LEU 90 Cb 0.00 0.12 -0.04 0.00 -0.56 0.00 0.00 46.19 45.71 3gl4 s LEU 90 CO 0.00 -0.55 0.12 -0.94 -1.06 0.00 0.00 176.35 173.93 3gl4 s SER 91 N -2.87 4.60 -0.03 1.48 1.04 0.03 -1.78 113.70 116.16 3gl4 s SER 91 Ca 0.07 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 55.68 3gl4 s SER 91 Cb 0.06 -0.69 0.03 0.00 0.10 0.00 0.00 66.02 65.53 3gl4 s SER 91 CO -0.08 -0.30 0.02 -0.63 0.98 0.00 0.00 173.24 173.23 3gl4 s ILE 92 N -2.45 0.01 0.01 -1.02 1.01 -0.57 -0.58 121.20 117.61 3gl4 s ILE 92 Ca 0.37 0.20 0.04 0.00 0.00 0.00 0.00 60.65 61.26 3gl4 s ILE 92 Cb -0.02 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 3gl4 s ILE 92 CO 0.22 0.12 -0.09 -1.81 0.00 0.00 0.00 174.94 173.38 3gl4 s ASP 93 N 1.18 4.45 -0.18 3.58 1.01 0.23 -1.75 116.67 125.18 3gl4 s ASP 93 Ca -0.08 -0.21 -0.08 0.00 0.71 0.00 0.00 52.55 52.89 3gl4 s ASP 93 Cb -0.13 -0.98 0.07 0.00 1.01 0.00 0.00 42.92 42.89 3gl4 s ASP 93 CO -0.03 0.28 0.42 -0.60 0.21 0.00 0.00 175.17 175.45 3gl4 s ARG 94 N -1.43 0.37 -0.04 8.23 3.52 -1.10 0.24 118.95 128.74 3gl4 s ARG 94 Ca 0.17 0.90 0.03 0.00 -0.13 0.00 0.00 55.73 56.70 3gl4 s ARG 94 Cb -0.11 0.13 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 3gl4 s ARG 94 CO 0.07 -0.20 -0.12 0.95 -0.81 0.00 0.00 175.30 175.19 3gl4 s THR 95 N 1.93 3.26 -0.18 4.11 -4.23 0.20 -1.40 115.64 119.34 3gl4 s THR 95 Ca -0.06 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 3gl4 s THR 95 Cb -0.10 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.45 3gl4 s THR 95 CO -0.13 0.54 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.66 3gl4 s VAL 96 N -0.81 1.72 -0.40 2.29 1.01 -0.85 -0.51 120.40 122.85 3gl4 s VAL 96 Ca 0.13 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 3gl4 s VAL 96 Cb -0.11 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.63 3gl4 s VAL 96 CO 0.02 0.34 0.26 -0.13 0.00 0.00 0.00 175.10 175.59 3gl4 s ARG 97 N 1.39 2.82 -0.10 2.72 0.52 0.30 -1.64 118.95 124.97 3gl4 s ARG 97 Ca 0.02 -1.18 -0.25 0.00 -0.52 0.00 0.00 55.73 53.80 3gl4 s ARG 97 Cb -0.15 -3.84 -0.03 0.00 0.52 0.00 0.00 34.95 31.46 3gl4 s ARG 97 CO -0.10 -0.80 0.79 -0.06 0.02 0.00 0.00 175.30 175.15 3gl4 s PHE 98 N 1.56 3.53 0.54 -0.53 0.40 -0.72 -0.42 117.98 122.34 3gl4 s PHE 98 Ca 0.03 1.31 -0.22 0.00 -0.60 0.00 0.00 56.93 57.45 3gl4 s PHE 98 Cb -0.21 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.34 3gl4 s PHE 98 CO 0.06 -0.05 1.28 0.39 0.70 0.00 0.00 175.22 177.60 3gl4 n GLU 99 N 4.36 1.58 -3.77 0.44 1.02 -0.89 -2.57 120.64 120.80 3gl4 n GLU 99 Ca 0.02 0.58 -0.29 0.00 -0.02 0.00 0.00 57.16 57.45 3gl4 n GLU 99 Cb 0.50 -2.47 -0.02 0.00 -0.02 0.00 0.00 31.44 29.43 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 -0.78 -3.04 0.00 1.62 5.03 -1.26 -4.79 115.26 112.05 3gl4 n ASN 100 Ca 0.11 -0.66 0.00 0.00 0.87 0.00 0.00 54.58 54.89 3gl4 n ASN 100 Cb 0.44 -2.53 0.00 0.00 -1.02 0.00 0.00 39.78 36.67 3gl4 n ASN 100 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3gl4 n ASP 101 N -2.37 0.00 -2.36 6.41 -0.08 -1.06 -4.84 116.55 112.25 3gl4 n ASP 101 Ca 0.04 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.29 3gl4 n ASP 101 Cb 0.50 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.98 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 0.62 2.73 0.27 0.00 -1.25 -4.64 105.19 102.92 3gl4 n GLY 102 Ca 0.00 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.33 -0.05 0.39 2.61 2.01 -0.91 -1.76 115.64 117.61 3gl4 s THR 103 Ca 0.10 0.30 -0.17 0.00 0.31 0.00 0.00 61.69 62.23 3gl4 s THR 103 Cb -0.01 -0.14 -0.09 0.00 0.01 0.00 0.00 72.50 72.27 3gl4 s THR 103 CO 0.06 0.14 0.85 -0.04 -0.69 0.00 0.00 174.62 174.95 3gl4 s MET 104 N 1.61 4.07 -0.19 4.92 -1.94 -0.65 -2.52 119.30 124.60 3gl4 s MET 104 Ca -0.02 0.87 -0.04 0.00 -1.71 0.00 0.00 55.69 54.78 3gl4 s MET 104 Cb -0.13 -2.29 0.08 0.00 2.01 0.00 0.00 34.83 34.50 3gl4 s MET 104 CO -0.03 0.02 0.16 0.99 -0.01 0.00 0.00 175.02 176.15 3gl4 s THR 105 N -2.16 -0.21 0.25 2.05 2.01 -0.50 -2.00 115.64 115.07 3gl4 s THR 105 Ca 0.58 -0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.48 3gl4 s THR 105 Cb -0.10 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 3gl4 s THR 105 CO 0.18 -0.26 0.27 -0.94 -0.69 0.00 0.00 174.62 173.19 3gl4 s SER 106 N 2.24 5.86 -0.06 3.53 1.04 -0.49 -1.86 113.70 123.95 3gl4 s SER 106 Ca 0.05 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 3gl4 s SER 106 Cb -0.16 -1.58 0.03 0.00 0.10 0.00 0.00 66.02 64.41 3gl4 s SER 106 CO -0.12 -0.07 0.00 -2.28 0.98 0.00 0.00 173.24 171.76 3gl4 s HIS 107 N -2.08 0.61 0.12 5.02 2.46 0.06 -2.70 115.29 118.79 3gl4 s HIS 107 Ca 0.34 -0.13 0.08 0.00 0.47 0.00 0.00 55.06 55.82 3gl4 s HIS 107 Cb -0.08 -0.74 -0.04 0.00 -0.13 0.00 0.00 32.58 31.58 3gl4 s HIS 107 CO 0.27 -0.30 -0.13 -1.01 -2.47 0.00 0.00 174.74 171.10 3gl4 s HIS 108 N 1.84 2.64 0.10 3.88 0.09 -0.72 -1.27 115.29 121.85 3gl4 s HIS 108 Ca 0.03 -0.21 0.03 0.00 -0.00 0.00 0.00 55.06 54.91 3gl4 s HIS 108 Cb -0.12 -1.37 -0.04 0.00 -0.00 0.00 0.00 32.58 31.04 3gl4 s HIS 108 CO -0.04 0.43 -0.08 0.95 -0.00 0.00 0.00 174.74 175.99 3gl4 s THR 109 N -1.27 0.81 -0.05 1.30 -4.23 -0.89 -1.52 115.64 109.80 3gl4 s THR 109 Ca 0.21 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.93 3gl4 s THR 109 Cb -0.10 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.30 3gl4 s THR 109 CO 0.13 -0.69 0.13 -0.31 -0.54 0.00 0.00 174.62 173.34 3gl4 s TYR 110 N -2.91 -0.15 0.02 3.99 2.02 -0.74 -2.37 117.35 117.21 3gl4 s TYR 110 Ca 0.07 0.38 0.04 0.00 -0.37 0.00 0.00 57.07 57.20 3gl4 s TYR 110 Cb 0.00 0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.56 3gl4 s TYR 110 CO -0.02 -0.09 -0.14 -1.21 -1.57 0.00 0.00 175.55 172.52 3gl4 s GLU 111 N 0.35 0.99 0.02 -0.62 2.02 -0.29 -3.41 118.70 117.76 3gl4 s GLU 111 Ca -0.02 -0.62 -0.21 0.00 0.02 0.00 0.00 54.97 54.14 3gl4 s GLU 111 Cb -0.04 -0.98 -0.06 0.00 0.10 0.00 0.00 34.13 33.15 3gl4 s GLU 111 CO -0.01 0.26 0.61 -1.17 0.02 0.00 0.00 175.26 174.96 3gl4 s LEU 112 N -0.74 4.45 -0.60 1.80 2.96 -1.26 -0.03 118.68 125.26 3gl4 s LEU 112 Ca 0.03 1.22 0.02 0.00 -0.22 0.00 0.00 54.13 55.18 3gl4 s LEU 112 Cb -0.07 -2.95 0.15 0.00 0.50 0.00 0.00 46.19 43.83 3gl4 s LEU 112 CO 0.00 0.14 0.37 -0.62 -1.32 0.00 0.00 176.35 174.93 3gl4 s ASP 113 N -0.45 4.72 0.00 3.68 -1.08 0.20 -4.90 116.67 118.84 3gl4 s ASP 113 Ca 0.31 -3.15 0.00 0.00 -0.52 0.00 0.00 52.55 49.20 3gl4 s ASP 113 Cb -0.19 -1.71 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 3gl4 s ASP 113 CO 0.18 -0.24 0.00 -0.90 0.52 0.00 0.00 175.17 174.73 3gl4 n ASP 114 N 2.98 0.00 -1.06 -0.34 3.85 -1.26 0.89 116.55 121.61 3gl4 n ASP 114 Ca 0.09 0.00 0.03 0.00 -0.71 0.00 0.00 54.79 54.20 3gl4 n ASP 114 Cb 0.34 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.14 3gl4 n ASP 114 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3gl4 n THR 115 N 0.00 0.14 -4.46 2.12 -2.24 -1.26 -5.05 114.28 103.53 3gl4 n THR 115 Ca 0.00 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 60.78 3gl4 n THR 115 Cb 0.00 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 68.86 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 -2.64 1.15 -0.12 0.00 1.01 -1.11 0.61 120.40 119.31 3gl4 s VAL 117 Ca 0.29 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 3gl4 s VAL 117 Cb -0.02 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3gl4 s VAL 117 CO 0.14 -0.05 0.69 -0.69 0.00 0.00 0.00 175.10 175.19 3gl4 s VAL 118 N 1.59 5.02 -0.12 2.92 1.01 0.96 -0.12 120.40 131.65 3gl4 s VAL 118 Ca -0.02 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.34 3gl4 s VAL 118 Cb -0.17 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.21 3gl4 s VAL 118 CO -0.07 0.18 -0.14 -0.55 0.00 0.00 0.00 175.10 174.52 3gl4 s SER 119 N 0.96 2.42 -0.13 3.32 0.15 0.31 -1.14 113.70 119.58 3gl4 s SER 119 Ca 0.35 -0.41 -0.00 0.00 0.70 0.00 0.00 55.95 56.58 3gl4 s SER 119 Cb -0.17 -1.06 0.03 0.00 -1.71 0.00 0.00 66.02 63.11 3gl4 s SER 119 CO 0.14 -0.02 -0.08 -0.13 1.20 0.00 0.00 173.24 174.35 3gl4 s ARG 120 N 1.21 1.66 -0.05 5.44 0.52 -1.00 0.15 118.95 126.88 3gl4 s ARG 120 Ca -0.02 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 3gl4 s ARG 120 Cb -0.14 -1.80 0.02 0.00 0.52 0.00 0.00 34.95 33.55 3gl4 s ARG 120 CO -0.05 -0.31 -0.06 0.42 0.02 0.00 0.00 175.30 175.33 3gl4 s ILE 121 N 1.64 0.66 -0.11 1.52 1.01 0.43 -2.09 121.20 124.26 3gl4 s ILE 121 Ca 0.04 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 3gl4 s ILE 121 Cb -0.13 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 3gl4 s ILE 121 CO -0.09 0.25 0.29 -0.89 0.00 0.00 0.00 174.94 174.50 3gl4 s THR 122 N 0.80 5.28 -0.04 2.92 2.01 -0.39 0.13 115.64 126.35 3gl4 s THR 122 Ca -0.12 0.55 -0.02 0.00 0.31 0.00 0.00 61.69 62.41 3gl4 s THR 122 Cb -0.14 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.80 3gl4 s THR 122 CO 0.01 0.48 0.07 0.54 -0.69 0.00 0.00 174.62 175.03 3gl4 s VAL 123 N -0.21 -0.11 -0.12 3.82 0.11 -1.21 -0.76 120.40 121.91 3gl4 s VAL 123 Ca 0.18 0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 59.52 3gl4 s VAL 123 Cb -0.14 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3gl4 s VAL 123 CO 0.06 0.14 0.07 0.20 -3.33 0.00 0.00 175.10 172.24 3gl4 s ASN 124 N 1.80 5.75 -0.22 3.54 0.02 -0.78 -1.89 114.94 123.16 3gl4 s ASN 124 Ca -0.00 0.25 0.02 0.00 -1.02 0.00 0.00 52.86 52.10 3gl4 s ASN 124 Cb -0.12 -1.81 0.05 0.00 0.02 0.00 0.00 41.25 39.38 3gl4 s ASN 124 CO -0.04 0.34 -0.11 0.00 0.02 0.00 0.00 177.10 177.31 3gl4 s ASP 126 N 1.27 0.75 -0.24 0.00 1.01 -1.05 -0.33 116.67 118.09 3gl4 s ASP 126 Ca -0.04 -0.93 0.00 0.00 0.71 0.00 0.00 52.55 52.29 3gl4 s ASP 126 Cb -0.18 0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.89 3gl4 s ASP 126 CO -0.07 -0.50 0.00 0.61 0.21 0.00 0.00 175.17 175.42 3gl4 n GLY 127 N 0.26 0.54 3.79 0.21 0.00 -1.26 -2.13 105.19 106.59 3gl4 n GLY 127 Ca -0.15 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.89 3.27 -0.15 1.61 0.08 -1.26 -3.79 117.98 115.85 3gl4 s PHE 128 Ca 0.00 1.64 -0.29 0.00 0.12 0.00 0.00 56.93 58.40 3gl4 s PHE 128 Cb 0.00 -3.08 -0.01 0.00 -0.57 0.00 0.00 43.02 39.35 3gl4 s PHE 128 CO 0.00 -0.55 1.22 -0.65 -0.10 0.00 0.00 175.22 175.15 3gl4 s GLN 129 N -2.60 4.26 0.27 0.44 -1.52 -1.26 -4.87 119.66 114.38 3gl4 s GLN 129 Ca 0.59 1.63 0.12 0.00 -1.95 0.00 0.00 55.36 55.74 3gl4 s GLN 129 Cb -0.20 -3.71 0.33 0.00 -0.22 0.00 0.00 33.01 29.21 3gl4 s GLN 129 CO 0.25 -0.65 1.59 -1.00 -0.25 0.00 0.00 175.29 175.23 3gl4 h PRO 130 N 7.98 0.00 0.00 2.91 0.13 -2.00 -2.74 132.00 138.28 3gl4 h PRO 130 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3gl4 h PRO 130 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3gl4 h PRO 130 CO 0.95 0.62 -0.52 0.38 -0.23 0.00 0.00 178.00 179.20 3gl4 h ASP 131 N 0.00 0.00 -3.55 1.44 2.03 -1.97 -3.31 116.42 111.06 3gl4 h ASP 131 Ca -0.01 -0.10 -0.42 0.00 -0.73 0.00 0.00 57.03 55.77 3gl4 h ASP 131 Cb 1.16 0.00 0.19 0.00 -0.83 0.00 0.00 39.33 39.85 3gl4 h ASP 131 CO 0.08 0.05 0.18 -0.83 -1.03 0.00 0.00 179.24 177.69 3gl4 s GLY 132 N -3.87 1.62 0.58 7.15 0.00 -1.03 -4.53 107.32 107.23 3gl4 s GLY 132 Ca 0.06 -1.05 0.39 0.00 0.00 0.00 0.00 44.72 44.11 3gl4 s GLY 132 CO 0.71 -0.16 2.18 -2.55 0.00 0.00 0.00 173.10 173.29 3gl4 h PRO 133 N -2.49 0.00 0.07 2.90 0.11 -1.92 -0.71 132.00 129.95 3gl4 h PRO 133 Ca -0.44 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.34 3gl4 h PRO 133 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3gl4 h PRO 133 CO 0.32 0.00 -1.90 -0.89 -0.21 0.00 0.00 178.00 175.32 3gl4 n ILE 134 N -2.87 1.70 -0.06 4.15 -0.00 -1.26 0.75 119.36 121.76 3gl4 n ILE 134 Ca -0.02 -0.72 -0.03 0.00 -0.00 0.00 0.00 62.75 61.98 3gl4 n ILE 134 Cb 0.07 -1.41 -0.01 0.00 -0.00 0.00 0.00 39.64 38.29 3gl4 n ILE 134 CO 0.00 0.00 0.00 0.24 -0.00 0.00 0.00 176.55 176.79 3gl4 h MET 135 N 0.04 0.00 0.00 0.38 2.86 -1.72 -1.25 114.93 115.25 3gl4 h MET 135 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3gl4 h MET 135 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 3gl4 h MET 135 CO 0.08 0.08 0.00 0.54 1.06 0.00 0.00 176.91 178.67 3gl4 n ARG 136 N -4.72 0.04 -4.04 1.72 1.74 -0.28 -4.66 116.66 106.47 3gl4 n ARG 136 Ca -0.03 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.74 3gl4 n ARG 136 Cb 0.12 -1.18 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.68 -2.42 -1.56 0.55 2.03 -1.13 -4.84 116.55 108.51 3gl4 n ASP 137 Ca 0.00 -0.96 -0.03 0.00 0.52 0.00 0.00 54.79 54.32 3gl4 n ASP 137 Cb 0.00 -3.14 0.21 0.00 -0.72 0.00 0.00 41.12 37.46 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 -4.44 2.87 -3.09 -0.67 6.02 0.23 -4.89 117.38 113.41 3gl4 n GLN 138 Ca -0.09 -2.02 -0.43 0.00 -0.01 0.00 0.00 57.00 54.45 3gl4 n GLN 138 Cb 0.58 -1.91 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.93 4.64 -0.12 1.08 1.43 -1.14 -0.17 118.68 122.48 3gl4 s LEU 139 Ca 0.36 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3gl4 s LEU 139 Cb 0.29 -2.62 -0.12 0.00 0.03 0.00 0.00 46.19 43.77 3gl4 s LEU 139 CO 0.09 -0.90 0.36 0.58 0.23 0.00 0.00 176.35 176.71 3gl4 h VAL 140 N 5.89 0.80 -4.56 -1.59 2.07 0.35 -3.48 116.25 115.74 3gl4 h VAL 140 Ca -0.26 -1.59 -0.43 0.00 0.82 0.00 0.00 66.70 65.24 3gl4 h VAL 140 Cb 1.09 1.51 -0.14 0.00 -1.52 0.00 0.00 31.29 32.24 3gl4 h VAL 140 CO 0.96 0.27 -0.52 1.51 0.02 0.00 0.00 177.57 179.80 3gl4 s ASP 141 N -5.84 1.47 -0.32 0.57 1.47 -1.25 -4.95 116.67 107.82 3gl4 s ASP 141 Ca -0.09 -1.66 0.02 0.00 1.18 0.00 0.00 52.55 52.00 3gl4 s ASP 141 Cb -0.01 0.50 0.10 0.00 -0.34 0.00 0.00 42.92 43.16 3gl4 s ASP 141 CO 0.31 -0.99 0.05 -0.63 0.68 0.00 0.00 175.17 174.60 3gl4 s ILE 142 N -3.58 1.69 0.40 2.11 1.01 -1.26 -2.33 121.20 119.23 3gl4 s ILE 142 Ca 0.38 -1.87 -0.26 0.00 0.00 0.00 0.00 60.65 58.90 3gl4 s ILE 142 Cb 0.04 -2.22 -0.10 0.00 0.01 0.00 0.00 42.46 40.18 3gl4 s ILE 142 CO 0.23 -0.57 1.29 0.18 0.00 0.00 0.00 174.94 176.07 3gl4 n LEU 143 N 4.52 3.97 -4.60 2.97 4.77 0.65 -4.67 117.00 124.61 3gl4 n LEU 143 Ca -0.00 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.83 3gl4 n LEU 143 Cb 0.42 -1.51 0.20 0.00 -2.33 0.00 0.00 43.42 40.20 3gl4 n LEU 143 CO 0.18 -0.55 0.60 -2.84 -1.33 0.00 0.00 177.39 173.45 3gl4 s PRO 144 N -2.12 0.18 0.04 3.23 0.02 -1.26 -4.48 135.00 130.60 3gl4 s PRO 144 Ca 0.59 0.98 -0.27 0.00 0.02 0.00 0.00 61.00 62.32 3gl4 s PRO 144 Cb -0.52 -1.67 0.09 0.00 0.02 0.00 0.00 34.50 32.42 3gl4 s PRO 144 CO 0.59 -3.02 0.85 0.54 -0.33 0.00 0.00 177.00 175.63 3gl4 s ASN 145 N -2.85 -0.38 -0.58 2.53 2.20 -0.77 -4.85 114.94 110.24 3gl4 s ASN 145 Ca 0.66 -0.04 -0.10 0.00 -0.94 0.00 0.00 52.86 52.45 3gl4 s ASN 145 Cb -0.22 0.43 0.15 0.00 -2.00 0.00 0.00 41.25 39.61 3gl4 s ASN 145 CO 0.61 -0.71 0.47 -1.61 -2.94 0.00 0.00 177.10 172.92 3gl4 s GLU 146 N -3.24 2.78 0.41 3.55 0.41 -1.26 -1.14 118.70 120.21 3gl4 s GLU 146 Ca 0.05 -2.05 -0.22 0.00 -0.41 0.00 0.00 54.97 52.34 3gl4 s GLU 146 Cb -0.01 -4.04 -0.10 0.00 -1.78 0.00 0.00 34.13 28.20 3gl4 s GLU 146 CO -0.09 -1.23 0.97 0.95 -0.49 0.00 0.00 175.26 175.38 3gl4 s THR 147 N 0.88 4.18 -0.20 3.63 -4.23 -0.41 -4.87 115.64 114.62 3gl4 s THR 147 Ca 0.10 1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 62.00 3gl4 s THR 147 Cb -0.22 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.90 3gl4 s THR 147 CO -0.03 -0.17 0.10 -1.00 -0.54 0.00 0.00 174.62 172.98 3gl4 s HIS 148 N -1.97 3.31 -0.13 3.99 0.09 0.13 -1.97 115.29 118.72 3gl4 s HIS 148 Ca 0.60 0.16 -0.03 0.00 -0.00 0.00 0.00 55.06 55.79 3gl4 s HIS 148 Cb -0.14 -2.15 -0.03 0.00 -0.00 0.00 0.00 32.58 30.26 3gl4 s HIS 148 CO 0.18 0.15 -0.02 -1.64 -0.00 0.00 0.00 174.74 173.41 3gl4 s MET 149 N 0.56 3.47 0.06 1.40 -1.94 -0.51 -0.11 119.30 122.22 3gl4 s MET 149 Ca 0.06 -0.48 0.05 0.00 -1.71 0.00 0.00 55.69 53.61 3gl4 s MET 149 Cb -0.12 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 3gl4 s MET 149 CO 0.01 0.38 -0.15 -0.06 -0.01 0.00 0.00 175.02 175.19 3gl4 s PHE 150 N -0.02 1.27 0.15 -0.03 0.08 0.08 -1.09 117.98 118.42 3gl4 s PHE 150 Ca 0.02 -0.40 -0.31 0.00 0.12 0.00 0.00 56.93 56.35 3gl4 s PHE 150 Cb -0.13 -0.73 -0.09 0.00 -0.57 0.00 0.00 43.02 41.49 3gl4 s PHE 150 CO 0.02 0.05 1.52 -1.25 -0.10 0.00 0.00 175.22 175.47 3gl4 s PRO 151 N -1.42 4.24 -0.71 0.24 0.04 -1.26 -1.17 135.00 134.97 3gl4 s PRO 151 Ca 0.01 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.38 3gl4 s PRO 151 Cb -0.09 -3.19 0.18 0.00 0.04 0.00 0.00 34.50 31.44 3gl4 s PRO 151 CO 0.02 -0.56 0.52 1.58 0.04 0.00 0.00 177.00 178.60 3gl4 n HIS 152 N 4.00 3.32 -4.17 0.56 -0.00 -0.02 -4.80 115.22 114.10 3gl4 n HIS 152 Ca 0.13 -4.31 0.00 0.00 0.46 0.00 0.00 57.72 54.01 3gl4 n HIS 152 Cb 0.40 -0.63 0.00 0.00 -0.12 0.00 0.00 29.99 29.63 3gl4 n HIS 152 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gl4 n GLY 153 N 1.87 -1.45 0.20 1.57 0.00 -1.26 -3.28 105.19 102.83 3gl4 n GLY 153 Ca 0.21 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.12 1.61 0.13 -1.98 -3.35 132.00 128.28 3gl4 h PRO 154 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 3gl4 h PRO 154 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 3gl4 h PRO 154 CO 0.00 0.28 -0.98 0.27 -0.23 0.00 0.00 178.00 177.34 3gl4 n ASN 155 N -3.29 1.38 -3.39 1.44 6.94 -1.26 -4.77 115.26 112.30 3gl4 n ASN 155 Ca 0.01 -2.32 -0.09 0.00 -0.02 0.00 0.00 54.58 52.16 3gl4 n ASN 155 Cb 0.53 -0.37 -0.00 0.00 -2.36 0.00 0.00 39.78 37.58 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 -1.36 -0.78 0.04 -2.53 0.00 -1.21 -1.99 121.76 113.94 3gl4 s ALA 156 Ca 0.34 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 3gl4 s ALA 156 Cb 0.37 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 3gl4 s ALA 156 CO -0.12 -0.98 -0.03 0.14 0.00 0.00 0.00 175.76 174.76 3gl4 s VAL 157 N -3.10 0.22 -0.03 0.00 -7.23 -0.36 -0.84 120.40 109.05 3gl4 s VAL 157 Ca 0.15 -1.59 0.07 0.00 -1.81 0.00 0.00 61.98 58.80 3gl4 s VAL 157 Cb -0.05 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 3gl4 s VAL 157 CO 0.10 -0.86 -0.23 -0.60 -0.31 0.00 0.00 175.10 173.20 3gl4 s ARG 158 N -3.29 2.26 -0.17 4.82 3.52 -0.32 -1.10 118.95 124.67 3gl4 s ARG 158 Ca 0.01 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.76 3gl4 s ARG 158 Cb 0.03 -2.14 0.02 0.00 -1.56 0.00 0.00 34.95 31.30 3gl4 s ARG 158 CO -0.07 0.56 -0.17 -1.14 -0.81 0.00 0.00 175.30 173.66 3gl4 s GLN 159 N -0.60 2.68 -0.12 5.12 0.74 0.11 -0.74 119.66 126.85 3gl4 s GLN 159 Ca 0.09 -0.75 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 3gl4 s GLN 159 Cb -0.10 -2.41 -0.02 0.00 1.10 0.00 0.00 33.01 31.58 3gl4 s GLN 159 CO -0.00 -0.24 -0.11 -0.51 -0.55 0.00 0.00 175.29 173.87 3gl4 s LEU 160 N 1.36 2.85 0.01 3.68 1.43 0.84 -1.16 118.68 127.69 3gl4 s LEU 160 Ca 0.04 -0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 3gl4 s LEU 160 Cb -0.13 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.45 3gl4 s LEU 160 CO -0.12 0.21 0.18 0.00 0.23 0.00 0.00 176.35 176.86 3gl4 s ALA 161 N 0.09 -0.41 -0.33 4.21 0.00 -0.69 0.19 121.76 124.83 3gl4 s ALA 161 Ca -0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 3gl4 s ALA 161 Cb -0.14 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3gl4 s ALA 161 CO 0.04 -0.27 0.17 -0.06 0.00 0.00 0.00 175.76 175.64 3gl4 s PHE 162 N -1.79 3.20 -0.34 0.00 0.08 -1.26 -1.63 117.98 116.24 3gl4 s PHE 162 Ca -0.11 -0.65 -0.14 0.00 0.12 0.00 0.00 56.93 56.14 3gl4 s PHE 162 Cb -0.05 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 3gl4 s PHE 162 CO 0.00 -0.50 0.31 0.42 -0.10 0.00 0.00 175.22 175.35 3gl4 s ILE 163 N 1.60 5.22 -0.09 0.64 1.01 0.20 -4.92 121.20 124.86 3gl4 s ILE 163 Ca 0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.46 3gl4 s ILE 163 Cb -0.18 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3gl4 s ILE 163 CO 0.07 -0.04 0.60 -0.83 0.00 0.00 0.00 174.94 174.74 3gl4 s GLY 164 N 1.73 2.52 -0.08 6.18 0.00 -1.26 -1.28 107.32 115.13 3gl4 s GLY 164 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.84 3gl4 s GLY 164 CO 0.11 1.00 -0.18 -1.36 0.00 0.00 0.00 173.10 172.67 3gl4 s PHE 165 N 0.72 2.01 -0.02 1.90 0.08 -0.92 -0.25 117.98 121.50 3gl4 s PHE 165 Ca 0.32 -0.77 -0.25 0.00 0.12 0.00 0.00 56.93 56.35 3gl4 s PHE 165 Cb -0.17 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 3gl4 s PHE 165 CO 0.15 -0.33 0.77 0.99 -0.10 0.00 0.00 175.22 176.70 3gl4 s THR 166 N 0.43 4.92 0.46 0.64 2.01 -0.99 -0.70 115.64 122.42 3gl4 s THR 166 Ca -0.15 1.62 -0.10 0.00 0.31 0.00 0.00 61.69 63.37 3gl4 s THR 166 Cb -0.16 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 3gl4 s THR 166 CO 0.06 0.27 0.83 0.42 -0.69 0.00 0.00 174.62 175.50 3gl4 s THR 167 N 0.59 4.79 0.06 -0.82 -4.23 -1.25 0.99 115.64 115.77 3gl4 s THR 167 Ca 0.41 0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 61.40 3gl4 s THR 167 Cb -0.19 -3.78 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 3gl4 s THR 167 CO 0.21 -0.70 1.02 0.00 -0.54 0.00 0.00 174.62 174.62 3gl4 n ALA 168 N -1.76 -0.23 -1.09 3.99 0.00 0.76 0.15 120.51 122.34 3gl4 n ALA 168 Ca 0.03 0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.62 3gl4 n ALA 168 Cb 0.54 0.18 -0.15 0.00 0.00 0.00 0.00 19.45 20.03 3gl4 n ALA 168 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gl4 n ASP 169 N -3.79 5.54 -4.31 0.00 5.68 -1.26 -4.78 116.55 113.62 3gl4 n ASP 169 Ca 0.01 -2.60 -0.38 0.00 -0.50 0.00 0.00 54.79 51.32 3gl4 n ASP 169 Cb 0.09 -1.40 -0.04 0.00 -1.14 0.00 0.00 41.12 38.64 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 2.28 -0.42 0.00 6.12 0.00 0.12 -4.92 105.19 108.37 3gl4 n GLY 170 Ca 0.45 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.33 0.65 3.29 -0.02 0.00 -1.24 -4.87 105.19 101.66 3gl4 n GLY 171 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.69 -0.38 0.99 1.43 -1.26 -3.87 118.68 114.90 3gl4 s LEU 172 Ca 0.00 0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 3gl4 s LEU 172 Cb 0.00 1.68 0.02 0.00 0.03 0.00 0.00 46.19 47.92 3gl4 s LEU 172 CO 0.00 -0.13 0.25 -0.32 0.23 0.00 0.00 176.35 176.38 3gl4 s MET 173 N 2.70 2.97 -0.18 1.70 -2.45 0.13 -4.92 119.30 119.24 3gl4 s MET 173 Ca 0.01 -1.00 -0.21 0.00 -1.25 0.00 0.00 55.69 53.24 3gl4 s MET 173 Cb -0.09 -3.84 -0.03 0.00 1.25 0.00 0.00 34.83 32.13 3gl4 s MET 173 CO -0.16 -0.69 0.64 1.41 1.05 0.00 0.00 175.02 177.28 3gl4 s MET 174 N 1.62 4.24 -0.10 4.11 1.75 -1.26 -2.17 119.30 127.49 3gl4 s MET 174 Ca 0.04 0.66 -0.03 0.00 -1.25 0.00 0.00 55.69 55.11 3gl4 s MET 174 Cb -0.19 -3.56 -0.03 0.00 2.84 0.00 0.00 34.83 33.89 3gl4 s MET 174 CO 0.08 -0.20 0.01 0.20 -0.65 0.00 0.00 175.02 174.46 3gl4 s GLY 175 N 1.13 1.86 -0.40 2.11 0.00 -0.40 -2.09 107.32 109.54 3gl4 s GLY 175 Ca 0.30 -0.79 -0.12 0.00 0.00 0.00 0.00 44.72 44.11 3gl4 s GLY 175 CO 0.11 -0.45 0.25 0.30 0.00 0.00 0.00 173.10 173.31 3gl4 s HIS 176 N -0.64 3.26 -0.26 1.90 3.76 0.45 -0.63 115.29 123.12 3gl4 s HIS 176 Ca 0.11 -0.97 -0.09 0.00 -0.15 0.00 0.00 55.06 53.96 3gl4 s HIS 176 Cb -0.12 -2.59 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 3gl4 s HIS 176 CO 0.02 -0.68 0.12 0.12 -0.85 0.00 0.00 174.74 173.47 3gl4 s PHE 177 N 1.57 3.15 -0.20 1.40 5.36 -0.64 -0.54 117.98 128.08 3gl4 s PHE 177 Ca 0.03 -0.18 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 3gl4 s PHE 177 Cb -0.20 -2.29 0.06 0.00 -0.34 0.00 0.00 43.02 40.25 3gl4 s PHE 177 CO 0.07 -0.25 0.04 0.34 -1.46 0.00 0.00 175.22 173.95 3gl4 s ASP 178 N 1.62 2.97 -0.02 6.13 -1.08 0.33 -1.70 116.67 124.93 3gl4 s ASP 178 Ca 0.07 -0.86 0.02 0.00 -0.52 0.00 0.00 52.55 51.25 3gl4 s ASP 178 Cb -0.15 -0.61 0.01 0.00 -1.46 0.00 0.00 42.92 40.71 3gl4 s ASP 178 CO 0.07 -0.31 -0.05 -0.55 0.52 0.00 0.00 175.17 174.84 3gl4 s SER 179 N 1.85 0.73 -0.16 -0.34 0.15 -0.31 -0.63 113.70 114.99 3gl4 s SER 179 Ca -0.01 -0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.54 3gl4 s SER 179 Cb -0.17 -0.20 0.04 0.00 -1.71 0.00 0.00 66.02 63.98 3gl4 s SER 179 CO -0.09 0.02 -0.07 -0.75 1.20 0.00 0.00 173.24 173.55 3gl4 s LYS 180 N 0.26 1.58 -0.24 5.44 2.20 0.14 0.09 119.74 129.21 3gl4 s LYS 180 Ca -0.03 -0.53 -0.10 0.00 -0.36 0.00 0.00 55.97 54.95 3gl4 s LYS 180 Cb -0.07 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.19 3gl4 s LYS 180 CO -0.00 -0.40 0.15 -1.64 -0.36 0.00 0.00 175.35 173.10 3gl4 s MET 181 N 1.60 4.00 -0.06 4.03 -1.94 -0.26 -0.60 119.30 126.08 3gl4 s MET 181 Ca 0.01 -0.30 0.05 0.00 -1.71 0.00 0.00 55.69 53.74 3gl4 s MET 181 Cb -0.15 -3.51 -0.00 0.00 2.01 0.00 0.00 34.83 33.18 3gl4 s MET 181 CO -0.08 0.02 -0.20 0.99 -0.01 0.00 0.00 175.02 175.74 3gl4 s THR 182 N 1.17 1.66 0.04 2.05 2.01 0.25 -1.23 115.64 121.59 3gl4 s THR 182 Ca 0.07 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 3gl4 s THR 182 Cb -0.14 -1.42 -0.06 0.00 0.01 0.00 0.00 72.50 70.88 3gl4 s THR 182 CO 0.05 0.47 1.40 0.12 -0.69 0.00 0.00 174.62 175.97 3gl4 s PHE 183 N 0.06 2.96 0.36 4.92 5.36 -0.84 -0.79 117.98 130.02 3gl4 s PHE 183 Ca -0.06 0.85 0.15 0.00 -0.96 0.00 0.00 56.93 56.91 3gl4 s PHE 183 Cb -0.13 -3.67 0.81 0.00 -0.34 0.00 0.00 43.02 39.68 3gl4 s PHE 183 CO 0.04 -2.44 1.85 -0.91 -1.46 0.00 0.00 175.22 172.29 3gl4 h ASN 184 N 7.53 0.00 -4.05 6.13 2.35 -1.65 -3.47 115.58 122.42 3gl4 h ASN 184 Ca -0.39 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 54.99 3gl4 h ASN 184 Cb 1.19 0.00 0.12 0.00 0.05 0.00 0.00 38.32 39.68 3gl4 h ASN 184 CO 0.89 0.34 0.26 0.61 -1.65 0.00 0.00 177.43 177.88 3gl4 n GLY 185 N -0.43 -0.74 0.03 2.83 0.00 -1.26 -5.03 105.19 100.59 3gl4 n GLY 185 Ca -0.02 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.22 3gl4 n GLY 185 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gl4 n SER 186 N -3.44 1.33 -4.67 1.61 3.41 -1.26 -4.99 113.62 105.60 3gl4 n SER 186 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.45 3gl4 n SER 186 Cb 0.48 1.40 0.16 0.00 -0.26 0.00 0.00 64.21 65.99 3gl4 n SER 186 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gl4 s ARG 187 N -2.83 0.76 0.43 4.33 1.70 -1.26 -4.99 118.95 117.09 3gl4 s ARG 187 Ca -0.06 0.86 -0.22 0.00 -0.47 0.00 0.00 55.73 55.83 3gl4 s ARG 187 Cb 0.08 -1.75 -0.09 0.00 -0.57 0.00 0.00 34.95 32.62 3gl4 s ARG 187 CO 0.65 -2.59 1.02 0.00 -1.08 0.00 0.00 175.30 173.29 3gl4 s ALA 188 N -2.83 3.02 -0.10 7.88 0.00 -1.26 -5.06 121.76 123.40 3gl4 s ALA 188 Ca 0.65 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 3gl4 s ALA 188 Cb -0.20 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3gl4 s ALA 188 CO 0.58 -0.15 0.27 -1.50 0.00 0.00 0.00 175.76 174.96 3gl4 s ILE 189 N -1.85 -0.00 0.11 0.00 2.07 -1.26 -5.13 121.20 115.13 3gl4 s ILE 189 Ca 0.61 0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 59.56 3gl4 s ILE 189 Cb -0.18 -0.38 -0.06 0.00 0.13 0.00 0.00 42.46 41.98 3gl4 s ILE 189 CO 0.22 0.00 0.99 -0.70 -1.91 0.00 0.00 174.94 173.54 3gl4 s GLU 190 N 0.20 4.67 -0.34 3.50 2.12 -1.26 -4.91 118.70 122.68 3gl4 s GLU 190 Ca -0.01 1.49 -0.14 0.00 0.36 0.00 0.00 54.97 56.67 3gl4 s GLU 190 Cb -0.02 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 3gl4 s GLU 190 CO -0.00 0.17 0.30 0.42 -0.54 0.00 0.00 175.26 175.61 3gl4 s ILE 191 N 0.07 5.23 0.58 -3.70 -1.09 -1.26 -4.80 121.20 116.22 3gl4 s ILE 191 Ca 0.48 -0.10 -0.20 0.00 -2.23 0.00 0.00 60.65 58.61 3gl4 s ILE 191 Cb -0.24 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 3gl4 s ILE 191 CO 0.30 -0.06 1.23 -2.16 -1.23 0.00 0.00 174.94 173.02 3gl4 s PRO 192 N 1.87 3.05 1.26 2.79 0.04 -1.26 -4.97 135.00 137.78 3gl4 s PRO 192 Ca 0.09 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.84 3gl4 s PRO 192 Cb -0.17 -2.02 0.31 0.00 0.04 0.00 0.00 34.50 32.66 3gl4 s PRO 192 CO 0.11 -1.16 1.01 0.20 0.04 0.00 0.00 177.00 177.20 3gl4 s GLY 193 N -1.47 1.50 0.24 0.56 0.00 -1.26 -4.05 107.32 102.83 3gl4 s GLY 193 Ca 0.76 -0.57 -0.31 0.00 0.00 0.00 0.00 44.72 44.59 3gl4 s GLY 193 CO 0.35 0.28 1.46 -1.05 0.00 0.00 0.00 173.10 174.15 3gl4 n PRO 194 N -5.11 2.15 -1.33 2.90 -0.02 -1.26 -4.71 135.00 127.62 3gl4 n PRO 194 Ca 0.08 0.77 -0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3gl4 n PRO 194 Cb 0.58 -2.46 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.16 -0.67 -4.19 6.00 1.44 -0.25 -4.95 115.22 114.76 3gl4 n HIS 195 Ca 0.12 -0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.66 3gl4 n HIS 195 Cb 0.32 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.32 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 -6.68 1.18 -0.14 -1.40 0.08 -0.23 -1.43 117.98 109.35 3gl4 s PHE 196 Ca 0.00 -0.58 0.01 0.00 0.12 0.00 0.00 56.93 56.47 3gl4 s PHE 196 Cb -0.00 -0.64 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 3gl4 s PHE 196 CO 0.00 0.05 -0.15 0.08 -0.10 0.00 0.00 175.22 175.10 3gl4 s VAL 197 N -2.09 1.61 0.09 -0.44 1.01 -0.83 -0.74 120.40 119.00 3gl4 s VAL 197 Ca 0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 3gl4 s VAL 197 Cb -0.05 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 3gl4 s VAL 197 CO 0.01 0.46 0.94 -0.89 0.00 0.00 0.00 175.10 175.63 3gl4 s THR 198 N 1.38 4.58 -0.10 3.92 2.01 0.31 -1.29 115.64 126.45 3gl4 s THR 198 Ca 0.03 2.02 -0.00 0.00 0.31 0.00 0.00 61.69 64.05 3gl4 s THR 198 Cb -0.13 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.10 3gl4 s THR 198 CO -0.09 0.30 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.43 3gl4 s ILE 199 N 0.14 0.96 -0.11 1.82 1.01 -0.29 -1.20 121.20 123.53 3gl4 s ILE 199 Ca 0.47 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.89 3gl4 s ILE 199 Cb -0.23 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.26 3gl4 s ILE 199 CO 0.29 0.35 -0.23 -0.63 0.00 0.00 0.00 174.94 174.72 3gl4 s ILE 200 N 1.59 2.04 -0.01 2.92 1.01 0.33 -1.84 121.20 127.24 3gl4 s ILE 200 Ca 0.02 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3gl4 s ILE 200 Cb -0.13 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.57 3gl4 s ILE 200 CO -0.06 0.55 -0.03 -0.89 0.00 0.00 0.00 174.94 174.51 3gl4 s THR 201 N 0.46 0.27 -0.08 2.92 2.01 -1.26 0.13 115.64 120.09 3gl4 s THR 201 Ca -0.16 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.78 3gl4 s THR 201 Cb -0.17 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.07 3gl4 s THR 201 CO 0.06 0.11 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.23 3gl4 s LYS 202 N 0.35 1.90 0.16 4.92 2.20 0.88 -4.76 119.74 125.39 3gl4 s LYS 202 Ca -0.03 -0.46 0.11 0.00 -0.36 0.00 0.00 55.97 55.22 3gl4 s LYS 202 Cb -0.06 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 3gl4 s LYS 202 CO -0.01 -0.02 -0.24 -1.14 -0.36 0.00 0.00 175.35 173.58 3gl4 s GLN 203 N 0.86 1.53 -0.28 4.03 0.74 -1.26 -0.41 119.66 124.87 3gl4 s GLN 203 Ca -0.10 -1.39 -0.27 0.00 0.05 0.00 0.00 55.36 53.65 3gl4 s GLN 203 Cb -0.15 -1.92 0.18 0.00 1.10 0.00 0.00 33.01 32.21 3gl4 s GLN 203 CO 0.01 0.43 1.32 0.00 -0.55 0.00 0.00 175.29 176.51 3gl4 s MET 204 N -2.35 0.16 -0.56 1.67 0.23 -0.85 -5.03 119.30 112.58 3gl4 s MET 204 Ca 0.18 0.12 -0.28 0.00 -1.03 0.00 0.00 55.69 54.68 3gl4 s MET 204 Cb -0.09 0.08 0.01 0.00 -1.53 0.00 0.00 34.83 33.29 3gl4 s MET 204 CO 0.08 -0.04 1.49 -0.98 -2.03 0.00 0.00 175.02 173.55 3gl4 s ARG 205 N -0.43 3.21 -0.71 3.16 3.03 -1.26 0.53 118.95 126.48 3gl4 s ARG 205 Ca 0.07 0.51 -0.35 0.00 2.03 0.00 0.00 55.73 57.98 3gl4 s ARG 205 Cb -0.03 -4.17 -0.18 0.00 -1.03 0.00 0.00 34.95 29.54 3gl4 s ARG 205 CO -0.10 -2.04 2.44 -3.47 -1.13 0.00 0.00 175.30 170.99 3gl4 n ASP 206 N 10.02 0.87 0.15 -2.89 2.03 -1.26 -4.75 116.55 120.72 3gl4 n ASP 206 Ca 0.14 0.29 0.11 0.00 0.52 0.00 0.00 54.79 55.85 3gl4 n ASP 206 Cb 0.49 -1.02 0.55 0.00 -0.72 0.00 0.00 41.12 40.42 3gl4 n ASP 206 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3gl4 n THR 207 N 7.21 0.98 -3.15 5.18 -2.24 -1.26 -3.21 114.28 117.78 3gl4 n THR 207 Ca 0.57 0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 62.50 3gl4 n THR 207 Cb 0.09 -1.55 -0.00 0.00 -2.10 0.00 0.00 70.33 66.76 3gl4 n THR 207 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3gl4 n SER 208 N -2.25 5.88 -3.65 3.42 3.41 -1.26 -4.94 113.62 114.22 3gl4 n SER 208 Ca -0.00 -3.32 -0.07 0.00 -0.26 0.00 0.00 58.87 55.21 3gl4 n SER 208 Cb 0.10 -1.23 -0.08 0.00 -0.26 0.00 0.00 64.21 62.74 3gl4 n SER 208 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gl4 s ASP 209 N -1.12 -0.84 0.54 4.04 -1.08 -1.20 -5.04 116.67 111.97 3gl4 s ASP 209 Ca 0.32 1.36 0.32 0.00 -0.52 0.00 0.00 52.55 54.03 3gl4 s ASP 209 Cb 0.02 1.35 1.37 0.00 -1.46 0.00 0.00 42.92 44.20 3gl4 s ASP 209 CO 0.04 -0.23 1.99 0.11 0.52 0.00 0.00 175.17 177.61 3gl4 h LYS 210 N 7.21 0.00 -5.30 4.34 6.56 -1.93 -3.44 116.57 124.01 3gl4 h LYS 210 Ca -0.29 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.63 3gl4 h LYS 210 Cb 1.20 0.00 -0.31 0.00 -0.57 0.00 0.00 32.23 32.55 3gl4 h LYS 210 CO 0.18 0.05 -0.83 1.03 -2.06 0.00 0.00 179.45 177.82 3gl4 s ARG 211 N -3.73 3.17 0.29 3.15 0.52 -1.26 -5.09 118.95 115.99 3gl4 s ARG 211 Ca 0.00 -0.80 -0.27 0.00 -0.52 0.00 0.00 55.73 54.15 3gl4 s ARG 211 Cb 0.10 -2.46 -0.15 0.00 0.52 0.00 0.00 34.95 32.96 3gl4 s ARG 211 CO 0.55 0.15 0.72 -3.47 0.02 0.00 0.00 175.30 173.27 3gl4 n ASP 212 N 3.66 -0.15 0.00 0.23 2.03 -1.19 -4.83 116.55 116.30 3gl4 n ASP 212 Ca -0.19 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.22 3gl4 n ASP 212 Cb 0.53 -1.12 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 3gl4 n ASP 212 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gl4 n HIS 213 N -0.10 0.00 -3.47 -0.67 1.44 -1.26 -1.91 115.22 109.25 3gl4 n HIS 213 Ca 0.13 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.72 3gl4 n HIS 213 Cb 0.31 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.40 3gl4 n HIS 213 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3gl4 s VAL 214 N -2.00 0.01 0.13 0.61 -7.23 -0.92 -4.38 120.40 106.61 3gl4 s VAL 214 Ca 0.00 -0.12 0.04 0.00 -1.81 0.00 0.00 61.98 60.09 3gl4 s VAL 214 Cb 0.00 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 3gl4 s VAL 214 CO 0.00 -0.04 0.12 0.00 -0.31 0.00 0.00 175.10 174.87 3gl4 s GLN 216 N -2.79 0.33 -0.05 0.00 0.74 0.11 -2.00 119.66 116.00 3gl4 s GLN 216 Ca 0.30 0.59 0.04 0.00 0.05 0.00 0.00 55.36 56.34 3gl4 s GLN 216 Cb -0.11 0.03 -0.02 0.00 1.10 0.00 0.00 33.01 34.00 3gl4 s GLN 216 CO 0.23 -0.12 -0.16 0.50 -0.55 0.00 0.00 175.29 175.20 3gl4 s ARG 217 N 0.91 2.50 -0.04 1.67 3.52 0.45 0.66 118.95 128.61 3gl4 s ARG 217 Ca -0.06 -0.72 -0.01 0.00 -0.13 0.00 0.00 55.73 54.81 3gl4 s ARG 217 Cb -0.07 -2.35 0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3gl4 s ARG 217 CO -0.07 0.59 0.03 -2.00 -0.81 0.00 0.00 175.30 173.05 3gl4 s GLU 218 N -0.66 0.15 -0.13 5.12 2.12 -0.58 -0.08 118.70 124.63 3gl4 s GLU 218 Ca 0.10 0.23 -0.05 0.00 0.36 0.00 0.00 54.97 55.61 3gl4 s GLU 218 Cb -0.11 -0.57 -0.04 0.00 0.26 0.00 0.00 34.13 33.68 3gl4 s GLU 218 CO 0.01 -0.26 0.04 0.08 -0.54 0.00 0.00 175.26 174.58 3gl4 s VAL 219 N 1.74 4.61 -0.27 3.70 1.01 0.12 -2.74 120.40 128.57 3gl4 s VAL 219 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 3gl4 s VAL 219 Cb -0.13 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.37 3gl4 s VAL 219 CO -0.03 0.54 0.57 0.00 0.00 0.00 0.00 175.10 176.18 3gl4 s ALA 220 N -0.29 -1.76 0.02 5.51 0.00 -0.76 0.12 121.76 124.60 3gl4 s ALA 220 Ca 0.08 2.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.95 3gl4 s ALA 220 Cb -0.12 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.35 3gl4 s ALA 220 CO 0.02 -0.91 0.24 1.52 0.00 0.00 0.00 175.76 176.63 3gl4 s TYR 221 N 2.80 -0.04 0.03 0.00 1.13 -0.34 -1.76 117.35 119.17 3gl4 s TYR 221 Ca -0.03 -0.05 -0.07 0.00 -1.41 0.00 0.00 57.07 55.51 3gl4 s TYR 221 Cb -0.12 0.03 -0.05 0.00 -1.10 0.00 0.00 41.96 40.71 3gl4 s TYR 221 CO -0.17 -0.41 0.31 0.00 -2.51 0.00 0.00 175.55 172.77 3gl4 s ALA 222 N -2.01 3.82 0.09 9.51 0.00 -0.57 0.12 121.76 132.71 3gl4 s ALA 222 Ca -0.09 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 3gl4 s ALA 222 Cb -0.03 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 3gl4 s ALA 222 CO -0.00 0.63 0.17 -3.38 0.00 0.00 0.00 175.76 173.18 3gl4 s HIS 223 N -1.33 0.21 0.00 0.00 -3.43 0.08 -4.40 115.29 106.43 3gl4 s HIS 223 Ca 0.29 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.90 3gl4 s HIS 223 Cb -0.13 -0.10 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 3gl4 s HIS 223 CO 0.17 -0.54 0.00 -1.13 -2.00 0.00 0.00 174.74 171.24 3gl4 n SER 224 N -0.06 0.17 -4.09 7.38 3.41 -1.26 -1.07 113.62 118.11 3gl4 n SER 224 Ca -0.14 -0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.29 3gl4 n SER 224 Cb 0.62 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 3gl4 n SER 224 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gl4 s VAL 225 N 1.81 0.13 0.73 -3.33 1.01 -1.26 -4.93 120.40 114.56 3gl4 s VAL 225 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.06 3gl4 s VAL 225 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3gl4 s VAL 225 CO 0.00 -0.59 0.61 -2.65 0.00 0.00 0.00 175.10 172.47 3gl4 n PRO 226 N -0.06 0.32 -4.42 2.72 -0.02 -1.26 -5.02 135.00 127.27 3gl4 n PRO 226 Ca -0.09 0.15 -0.30 0.00 -2.02 0.00 0.00 63.50 61.24 3gl4 n PRO 226 Cb 0.63 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 32.09 3gl4 n PRO 226 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gl4 s ARG 227 N -2.89 2.14 -0.02 -0.52 0.52 -1.26 -5.11 118.95 111.81 3gl4 s ARG 227 Ca 0.67 -0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 54.76 3gl4 s ARG 227 Cb -0.35 -2.28 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 3gl4 s ARG 227 CO 0.57 0.53 0.37 0.42 0.02 0.00 0.00 175.30 177.21 3gl4 s ILE 228 N -1.07 5.11 -0.15 1.52 1.01 -1.26 -5.01 121.20 121.34 3gl4 s ILE 228 Ca 0.18 0.75 -0.14 0.00 0.00 0.00 0.00 60.65 61.43 3gl4 s ILE 228 Cb -0.11 -3.67 -0.23 0.00 0.01 0.00 0.00 42.46 38.46 3gl4 s ILE 228 CO 0.09 0.57 0.34 0.74 0.00 0.00 0.00 174.94 176.68 3gl4 h THR 229 N 3.80 0.81 -4.25 2.92 2.02 -1.99 -3.48 112.91 112.74 3gl4 h THR 229 Ca -0.51 -2.28 -0.16 0.00 0.77 0.00 0.00 66.41 64.22 3gl4 h THR 229 Cb 1.22 2.43 -0.14 0.00 -1.74 0.00 0.00 68.15 69.91 3gl4 h THR 229 CO 0.62 0.63 -0.54 -0.94 0.37 0.00 0.00 175.52 175.66 3gl4 s SER 230 N -6.97 0.22 0.00 4.18 1.04 -1.26 -5.06 113.70 105.85 3gl4 s SER 230 Ca -0.25 -1.10 0.14 0.00 0.48 0.00 0.00 55.95 55.22 3gl4 s SER 230 Cb 0.06 0.35 0.41 0.00 0.10 0.00 0.00 66.02 66.93 3gl4 s SER 230 CO 0.70 -0.79 1.33 0.00 0.98 0.00 0.00 173.24 175.46 3gl4 n ALA 231 N -0.14 2.43 0.06 5.32 0.00 -1.26 -4.53 120.51 122.39 3gl4 n ALA 231 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3gl4 n ALA 231 Cb 0.63 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.78 0.14 1.57 0.00 -6.64 -1.26 -5.30 119.36 108.65 3gl4 n ILE 232 Ca 0.15 0.05 0.13 0.00 -1.77 0.00 0.00 62.75 61.30 3gl4 n ILE 232 Cb 0.37 -0.76 0.75 0.00 -1.44 0.00 0.00 39.64 38.56 3gl4 n ILE 232 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39