#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ga4 h ASP 8 N 0.00 0.00 -0.51 7.28 3.58 -2.05 -1.20 116.42 123.51 3ga4 h ASP 8 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 3ga4 h ASP 8 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3ga4 h ASP 8 CO 0.00 0.02 0.18 0.44 -2.88 0.00 0.00 179.24 177.00 3ga4 h ASP 9 N 0.00 0.73 -0.41 2.28 3.32 -2.07 -2.67 116.42 117.60 3ga4 h ASP 9 Ca -0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 3ga4 h ASP 9 Cb 0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3ga4 h ASP 9 CO 0.00 0.72 -0.21 0.40 -1.72 0.00 0.00 179.24 178.44 3ga4 h ILE 10 N 0.69 1.28 -0.32 0.35 2.04 -1.70 -3.10 117.51 116.76 3ga4 h ILE 10 Ca 0.17 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 3ga4 h ILE 10 Cb 0.24 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3ga4 h ILE 10 CO -0.01 0.46 0.12 -0.07 0.00 0.00 0.00 178.15 178.64 3ga4 h LEU 11 N 0.68 0.40 0.00 1.44 3.38 -1.40 -1.94 115.31 117.87 3ga4 h LEU 11 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ga4 h LEU 11 Cb 0.77 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3ga4 h LEU 11 CO 0.06 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3ga4 n GLN 12 N -4.40 0.36 0.07 1.13 6.02 -1.01 -2.92 117.38 116.63 3ga4 n GLN 12 Ca 0.02 0.06 0.13 0.00 -0.01 0.00 0.00 57.00 57.19 3ga4 n GLN 12 Cb 0.14 -1.50 0.47 0.00 1.02 0.00 0.00 30.24 30.37 3ga4 n GLN 12 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ga4 n LEU 13 N -1.27 0.53 -4.73 1.08 4.77 -0.73 -4.85 117.00 111.81 3ga4 n LEU 13 Ca 0.12 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.24 3ga4 n LEU 13 Cb 0.18 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3ga4 n LEU 13 CO 0.18 -0.17 1.32 -0.54 -1.33 0.00 0.00 177.39 176.84 3ga4 s LYS 14 N -3.09 4.14 0.23 3.23 1.02 -1.15 -4.59 119.74 119.53 3ga4 s LYS 14 Ca 0.11 2.57 -0.04 0.00 0.02 0.00 0.00 55.97 58.62 3ga4 s LYS 14 Cb 0.14 -3.07 0.05 0.00 -0.52 0.00 0.00 37.83 34.43 3ga4 s LYS 14 CO 0.54 -0.70 0.30 -0.40 -0.92 0.00 0.00 175.35 174.18 3ga4 n ASP 15 N 3.43 -0.08 0.04 2.83 5.68 -0.49 -4.82 116.55 123.15 3ga4 n ASP 15 Ca 0.13 -1.07 0.07 0.00 -0.50 0.00 0.00 54.79 53.42 3ga4 n ASP 15 Cb 0.36 -0.24 0.30 0.00 -1.14 0.00 0.00 41.12 40.40 3ga4 n ASP 15 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3ga4 n ASP 16 N -3.22 0.20 -0.87 -1.12 5.75 -1.26 -1.11 116.55 114.92 3ga4 n ASP 16 Ca 0.04 0.56 0.11 0.00 -0.01 0.00 0.00 54.79 55.49 3ga4 n ASP 16 Cb 0.13 -0.60 0.09 0.00 -1.03 0.00 0.00 41.12 39.71 3ga4 n ASP 16 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3ga4 n THR 17 N -1.73 0.00 -0.77 2.12 -2.24 -1.26 -4.96 114.28 105.43 3ga4 n THR 17 Ca 0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3ga4 n THR 17 Cb 0.12 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 3ga4 n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ga4 n GLY 18 N 1.26 0.56 3.42 3.38 0.00 -0.27 -4.75 105.19 108.79 3ga4 n GLY 18 Ca 0.13 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 3ga4 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ga4 s VAL 19 N -2.00 2.62 -0.22 1.61 1.01 -1.26 -4.51 120.40 117.65 3ga4 s VAL 19 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 3ga4 s VAL 19 Cb 0.00 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3ga4 s VAL 19 CO 0.00 0.39 0.10 -0.63 0.00 0.00 0.00 175.10 174.96 3ga4 s ILE 20 N -0.85 4.90 -0.17 2.22 1.01 0.38 -1.39 121.20 127.30 3ga4 s ILE 20 Ca 0.13 0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.54 3ga4 s ILE 20 Cb -0.10 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 3ga4 s ILE 20 CO 0.04 0.38 0.88 -0.89 0.00 0.00 0.00 174.94 175.35 3ga4 s THR 21 N 0.94 4.84 0.05 2.92 2.01 -1.26 -1.21 115.64 123.93 3ga4 s THR 21 Ca 0.05 1.73 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 3ga4 s THR 21 Cb -0.14 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 3ga4 s THR 21 CO 0.03 -0.00 1.03 -0.69 -0.69 0.00 0.00 174.62 174.30 3ga4 s VAL 22 N 2.28 4.52 0.33 3.82 1.01 0.16 -4.95 120.40 127.56 3ga4 s VAL 22 Ca 0.40 1.89 0.07 0.00 0.00 0.00 0.00 61.98 64.34 3ga4 s VAL 22 Cb -0.17 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.94 3ga4 s VAL 22 CO 0.12 0.19 -0.03 0.42 0.00 0.00 0.00 175.10 175.80 3ga4 s THR 23 N 0.69 1.75 0.30 3.92 -4.23 -1.26 -4.70 115.64 112.11 3ga4 s THR 23 Ca 0.52 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 3ga4 s THR 23 Cb -0.24 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.23 3ga4 s THR 23 CO 0.29 -0.17 1.90 0.00 -0.54 0.00 0.00 174.62 176.11 3ga4 h ALA 24 N 2.10 1.53 -0.18 3.99 0.00 -1.96 0.14 119.26 124.89 3ga4 h ALA 24 Ca -0.41 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3ga4 h ALA 24 Cb 1.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ga4 h ALA 24 CO 0.71 0.32 -0.25 -0.44 0.00 0.00 0.00 179.25 179.59 3ga4 h ASP 25 N 1.00 0.52 0.54 0.00 5.19 -1.95 -3.31 116.42 118.42 3ga4 h ASP 25 Ca 0.40 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3ga4 h ASP 25 Cb 0.25 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.61 3ga4 h ASP 25 CO -0.16 0.94 -0.42 -0.46 -3.12 0.00 0.00 179.24 176.02 3ga4 n ASN 26 N -4.41 0.47 -0.12 6.45 0.23 -1.04 -4.32 115.26 112.51 3ga4 n ASN 26 Ca -0.06 -0.20 -0.06 0.00 -0.53 0.00 0.00 54.58 53.74 3ga4 n ASN 26 Cb 0.44 0.15 0.02 0.00 -2.08 0.00 0.00 39.78 38.31 3ga4 n ASN 26 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3ga4 h TYR 27 N 0.07 0.25 -0.94 -2.53 3.20 -1.06 -0.84 116.97 115.13 3ga4 h TYR 27 Ca 0.00 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.00 3ga4 h TYR 27 Cb 0.50 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.63 3ga4 h TYR 27 CO 0.00 0.10 0.58 -1.35 -1.64 0.00 0.00 178.16 175.85 3ga4 h PRO 28 N 0.30 0.92 0.08 1.82 0.11 -1.80 0.11 132.00 133.55 3ga4 h PRO 28 Ca 0.18 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3ga4 h PRO 28 Cb 0.15 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3ga4 h PRO 28 CO -0.18 0.61 -0.04 1.25 -0.21 0.00 0.00 178.00 179.43 3ga4 h LEU 29 N 0.95 -0.09 -1.21 2.35 5.85 -1.71 -3.30 115.31 118.15 3ga4 h LEU 29 Ca 0.46 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3ga4 h LEU 29 Cb 0.41 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3ga4 h LEU 29 CO -0.25 0.41 0.31 -0.07 -0.34 0.00 0.00 178.44 178.50 3ga4 h LEU 30 N -0.62 0.77 -2.24 2.25 3.38 -0.88 -2.01 115.31 115.96 3ga4 h LEU 30 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ga4 h LEU 30 Cb 0.51 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ga4 h LEU 30 CO 0.02 0.64 -0.00 -1.28 0.09 0.00 0.00 178.44 177.91 3ga4 h SER 31 N 0.86 0.00 -0.01 -0.43 0.87 -1.06 -1.59 113.55 112.19 3ga4 h SER 31 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3ga4 h SER 31 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3ga4 h SER 31 CO -0.03 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.81 3ga4 n ARG 32 N -4.17 1.19 -0.20 2.24 1.74 -0.76 -2.02 116.66 114.69 3ga4 n ARG 32 Ca -0.03 -0.28 0.03 0.00 -0.77 0.00 0.00 57.85 56.80 3ga4 n ARG 32 Cb 0.09 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 3ga4 n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ga4 n GLY 33 N 1.03 -2.12 2.84 -0.13 0.00 -0.60 -4.81 105.19 101.40 3ga4 n GLY 33 Ca 0.22 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 3ga4 n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ga4 s VAL 34 N -0.90 0.50 0.03 1.61 1.01 -1.26 -4.94 120.40 116.44 3ga4 s VAL 34 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 61.98 61.59 3ga4 s VAL 34 Cb 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 36.38 35.65 3ga4 s VAL 34 CO 0.00 0.25 1.55 -2.65 0.00 0.00 0.00 175.10 174.25 3ga4 n PRO 35 N 4.56 1.60 -0.00 2.72 -0.02 -1.26 -1.13 135.00 141.47 3ga4 n PRO 35 Ca -0.17 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3ga4 n PRO 35 Cb 0.50 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3ga4 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ga4 n GLY 36 N 3.32 1.90 3.81 -1.23 0.00 -1.26 -5.03 105.19 106.70 3ga4 n GLY 36 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3ga4 n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ga4 s TYR 37 N -2.63 3.53 0.48 1.61 1.51 -0.28 -4.77 117.35 116.79 3ga4 s TYR 37 Ca 0.00 0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 56.33 3ga4 s TYR 37 Cb 0.00 -2.08 -0.07 0.00 -0.11 0.00 0.00 41.96 39.71 3ga4 s TYR 37 CO 0.00 0.53 1.19 -0.06 -1.11 0.00 0.00 175.55 176.09 3ga4 s PHE 38 N -0.40 2.78 -0.23 2.71 0.40 -0.08 -3.49 117.98 119.66 3ga4 s PHE 38 Ca 0.13 1.52 0.02 0.00 -0.60 0.00 0.00 56.93 58.00 3ga4 s PHE 38 Cb -0.12 -3.42 0.05 0.00 0.51 0.00 0.00 43.02 40.04 3ga4 s PHE 38 CO 0.02 -1.68 -0.13 -0.80 0.70 0.00 0.00 175.22 173.33 3ga4 s ASN 39 N -1.35 4.02 -0.24 1.36 0.02 0.09 -1.35 114.94 117.48 3ga4 s ASN 39 Ca 0.65 -1.17 -0.13 0.00 -1.02 0.00 0.00 52.86 51.20 3ga4 s ASN 39 Cb -0.30 -1.49 -0.04 0.00 0.02 0.00 0.00 41.25 39.44 3ga4 s ASN 39 CO 0.35 -0.14 0.28 -0.63 0.02 0.00 0.00 177.10 176.98 3ga4 s ILE 40 N 1.18 5.27 -0.14 0.60 1.09 0.17 -0.43 121.20 128.94 3ga4 s ILE 40 Ca -0.05 0.41 0.00 0.00 -1.10 0.00 0.00 60.65 59.92 3ga4 s ILE 40 Cb -0.18 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.63 3ga4 s ILE 40 CO -0.07 0.26 -0.13 -0.22 -0.10 0.00 0.00 174.94 174.68 3ga4 s LEU 41 N 1.46 1.62 -0.28 2.97 2.96 0.18 -0.12 118.68 127.46 3ga4 s LEU 41 Ca 0.12 -0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 53.46 3ga4 s LEU 41 Cb -0.15 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 3ga4 s LEU 41 CO 0.08 -0.06 0.20 -0.47 -1.32 0.00 0.00 176.35 174.78 3ga4 s TYR 42 N 1.48 3.23 -0.28 5.38 5.04 -0.48 -1.44 117.35 130.28 3ga4 s TYR 42 Ca 0.04 0.14 -0.08 0.00 -2.44 0.00 0.00 57.07 54.74 3ga4 s TYR 42 Cb -0.13 -2.39 -0.01 0.00 0.35 0.00 0.00 41.96 39.78 3ga4 s TYR 42 CO -0.10 -0.16 0.10 0.42 -1.34 0.00 0.00 175.55 174.47 3ga4 s ILE 43 N 1.76 4.30 0.26 3.14 1.01 0.49 -0.77 121.20 131.39 3ga4 s ILE 43 Ca 0.08 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3ga4 s ILE 43 Cb -0.16 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3ga4 s ILE 43 CO 0.11 0.19 0.28 1.07 0.00 0.00 0.00 174.94 176.59 3ga4 n THR 44 N 4.93 0.00 -3.45 2.92 5.66 -0.08 -1.10 114.28 123.15 3ga4 n THR 44 Ca -0.15 -1.67 -0.13 0.00 -3.05 0.00 0.00 64.05 59.05 3ga4 n THR 44 Cb 0.50 0.90 -0.10 0.00 -1.55 0.00 0.00 70.33 70.07 3ga4 n THR 44 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3ga4 s MET 45 N -2.87 0.27 -0.11 1.09 1.75 -1.26 -1.10 119.30 117.06 3ga4 s MET 45 Ca 0.27 0.45 0.09 0.00 -1.25 0.00 0.00 55.69 55.26 3ga4 s MET 45 Cb 0.01 -0.68 -0.24 0.00 2.84 0.00 0.00 34.83 36.76 3ga4 s MET 45 CO 0.19 -0.59 0.40 0.54 -0.65 0.00 0.00 175.02 174.92 3ga4 n ARG 46 N 5.35 0.67 0.00 4.11 1.74 -1.26 -4.48 116.66 122.79 3ga4 n ARG 46 Ca -0.05 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3ga4 n ARG 46 Cb 0.50 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3ga4 n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ga4 n GLY 47 N 1.74 0.91 3.79 -0.13 0.00 -1.26 -4.86 105.19 105.37 3ga4 n GLY 47 Ca -0.26 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 3ga4 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ga4 s THR 48 N 0.01 4.55 0.00 2.61 -4.23 -1.26 -4.44 115.64 112.87 3ga4 s THR 48 Ca 0.00 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 3ga4 s THR 48 Cb 0.00 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.58 3ga4 s THR 48 CO 0.00 0.01 0.00 -0.46 -0.54 0.00 0.00 174.62 173.63 3ga4 n ASN 49 N 0.06 0.00 0.30 3.99 0.23 -0.21 -4.82 115.26 114.81 3ga4 n ASN 49 Ca -0.08 -0.73 0.18 0.00 -0.53 0.00 0.00 54.58 53.42 3ga4 n ASN 49 Cb 0.53 0.00 0.96 0.00 -2.08 0.00 0.00 39.78 39.19 3ga4 n ASN 49 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3ga4 h SER 50 N 0.00 0.00 -0.68 0.53 0.02 -2.01 -1.21 113.55 110.20 3ga4 h SER 50 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ga4 h SER 50 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ga4 h SER 50 CO 0.00 0.03 0.00 0.59 -1.14 0.00 0.00 176.83 176.31 3ga4 n ASN 51 N -3.32 3.75 -0.47 3.07 3.02 -1.26 -4.93 115.26 115.11 3ga4 n ASN 51 Ca -0.02 -2.00 -0.06 0.00 -0.03 0.00 0.00 54.58 52.47 3ga4 n ASN 51 Cb 0.16 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 3ga4 n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ga4 n GLY 52 N 1.61 0.84 3.88 7.41 0.00 -0.46 -5.01 105.19 113.47 3ga4 n GLY 52 Ca 0.23 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 3ga4 n GLY 52 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ga4 s MET 53 N -2.28 3.41 0.19 1.61 -1.94 -1.26 -4.75 119.30 114.27 3ga4 s MET 53 Ca 0.00 -0.26 0.03 0.00 -1.71 0.00 0.00 55.69 53.75 3ga4 s MET 53 Cb 0.00 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.69 3ga4 s MET 53 CO 0.00 0.72 0.33 -1.54 -0.01 0.00 0.00 175.02 174.51 3ga4 s SER 54 N -1.54 6.34 -0.66 3.03 1.04 -1.26 -1.05 113.70 119.60 3ga4 s SER 54 Ca 0.22 0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.65 3ga4 s SER 54 Cb -0.12 -1.91 0.14 0.00 0.10 0.00 0.00 66.02 64.23 3ga4 s SER 54 CO 0.12 -0.01 0.69 0.00 0.98 0.00 0.00 173.24 175.02 3ga4 h GLN 56 N 8.76 1.09 -0.81 0.00 5.75 -1.97 -2.21 115.11 125.71 3ga4 h GLN 56 Ca -0.17 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.09 3ga4 h GLN 56 Cb 1.08 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 3ga4 h GLN 56 CO 1.01 0.94 0.49 1.25 -2.65 0.00 0.00 178.83 179.87 3ga4 h LEU 57 N 1.02 0.97 -0.29 -2.39 5.85 -1.98 -0.32 115.31 118.18 3ga4 h LEU 57 Ca 0.22 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3ga4 h LEU 57 Cb 0.31 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3ga4 h LEU 57 CO -0.01 0.74 0.07 0.00 -0.34 0.00 0.00 178.44 178.90 3ga4 h HIS 59 N 0.18 0.57 -0.18 0.00 -0.00 -0.96 -1.90 115.15 112.85 3ga4 h HIS 59 Ca 0.13 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 3ga4 h HIS 59 Cb 0.13 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3ga4 h HIS 59 CO -0.16 0.53 0.01 -0.44 -0.00 0.00 0.00 177.93 177.86 3ga4 h ASP 60 N 0.44 0.31 0.72 3.26 3.32 -0.88 -3.00 116.42 120.60 3ga4 h ASP 60 Ca 0.12 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 3ga4 h ASP 60 Cb 0.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3ga4 h ASP 60 CO -0.01 0.53 -0.32 0.15 -1.72 0.00 0.00 179.24 177.87 3ga4 h PHE 61 N 0.08 0.00 -0.57 4.55 3.57 -1.12 -2.82 116.94 120.64 3ga4 h PHE 61 Ca 0.05 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3ga4 h PHE 61 Cb 0.37 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3ga4 h PHE 61 CO 0.03 0.32 0.38 1.49 -2.23 0.00 0.00 178.31 178.30 3ga4 h GLU 62 N 0.00 0.63 -0.39 1.11 4.81 -1.19 0.18 114.58 119.74 3ga4 h GLU 62 Ca -0.00 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3ga4 h GLU 62 Cb 0.77 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3ga4 h GLU 62 CO 0.04 0.42 -0.00 0.87 -0.73 0.00 0.00 179.01 179.61 3ga4 h LYS 63 N 0.65 0.68 -0.58 1.92 1.57 -1.55 -1.81 116.57 117.46 3ga4 h LYS 63 Ca 0.23 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3ga4 h LYS 63 Cb 0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3ga4 h LYS 63 CO -0.06 0.78 0.36 1.15 -0.57 0.00 0.00 179.45 181.11 3ga4 h THR 64 N 0.51 1.09 -0.14 -0.16 2.02 -1.30 -0.79 112.91 114.13 3ga4 h THR 64 Ca 0.11 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 67.08 3ga4 h THR 64 Cb 0.47 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 3ga4 h THR 64 CO 0.02 0.13 -0.09 0.22 0.37 0.00 0.00 175.52 176.17 3ga4 h TYR 65 N 0.72 -0.23 -0.44 3.16 3.20 -0.53 -1.64 116.97 121.21 3ga4 h TYR 65 Ca 0.23 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 3ga4 h TYR 65 Cb -0.01 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3ga4 h TYR 65 CO -0.05 -0.15 -0.17 0.45 -1.64 0.00 0.00 178.16 176.61 3ga4 h HIS 66 N -0.09 0.94 -0.62 -3.82 3.86 -1.09 -0.82 115.15 113.51 3ga4 h HIS 66 Ca 0.09 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3ga4 h HIS 66 Cb 0.22 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 3ga4 h HIS 66 CO -0.23 0.94 0.38 0.00 0.86 0.00 0.00 177.93 179.89 3ga4 h ALA 67 N 1.06 0.79 -0.13 2.45 0.00 -0.85 -0.48 119.26 122.10 3ga4 h ALA 67 Ca 0.11 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3ga4 h ALA 67 Cb 0.69 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ga4 h ALA 67 CO 0.05 0.25 -0.78 0.28 0.00 0.00 0.00 179.25 179.05 3ga4 h VAL 68 N 0.84 1.30 -0.73 0.00 2.07 -1.17 -2.53 116.25 116.03 3ga4 h VAL 68 Ca 0.22 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 65.76 3ga4 h VAL 68 Cb -0.04 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3ga4 h VAL 68 CO -0.04 0.64 0.44 0.00 0.02 0.00 0.00 177.57 178.62 3ga4 h ALA 69 N 0.64 0.98 -0.65 1.67 0.00 -0.94 -1.02 119.26 119.94 3ga4 h ALA 69 Ca -0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ga4 h ALA 69 Cb 1.40 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3ga4 h ALA 69 CO 0.15 0.18 0.39 -0.44 0.00 0.00 0.00 179.25 179.53 3ga4 h ASP 70 N 0.83 0.78 -0.35 0.00 3.32 -0.98 -0.92 116.42 119.10 3ga4 h ASP 70 Ca 0.31 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3ga4 h ASP 70 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3ga4 h ASP 70 CO -0.15 0.61 0.17 0.58 -1.72 0.00 0.00 179.24 178.73 3ga4 h VAL 71 N 0.88 1.16 -0.23 -1.35 2.07 -0.99 -2.12 116.25 115.67 3ga4 h VAL 71 Ca 0.23 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ga4 h VAL 71 Cb -0.03 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3ga4 h VAL 71 CO -0.04 0.17 0.15 0.40 0.02 0.00 0.00 177.57 178.26 3ga4 h ILE 72 N 0.44 1.05 -0.76 4.57 5.03 -0.96 0.89 117.51 127.77 3ga4 h ILE 72 Ca 0.12 -0.10 0.02 0.00 -0.12 0.00 0.00 64.86 64.78 3ga4 h ILE 72 Cb 0.11 0.72 -0.04 0.00 -3.03 0.00 0.00 36.82 34.58 3ga4 h ILE 72 CO -0.02 0.06 0.50 -0.09 -0.68 0.00 0.00 178.15 177.92 3ga4 h ARG 73 N 0.30 0.96 0.04 2.37 2.43 -1.05 0.16 114.38 119.59 3ga4 h ARG 73 Ca 0.08 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 58.92 3ga4 h ARG 73 Cb -0.03 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 3ga4 h ARG 73 CO -0.02 0.64 -1.49 0.66 -1.51 0.00 0.00 179.97 178.24 3ga4 h SER 74 N 0.99 0.12 0.00 -3.80 4.64 -1.08 -3.35 113.55 111.07 3ga4 h SER 74 Ca 0.29 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ga4 h SER 74 Cb -0.04 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3ga4 h SER 74 CO -0.07 1.16 -1.48 0.00 -0.87 0.00 0.00 176.83 175.57 3ga4 n GLN 75 N -3.25 0.36 -3.16 4.77 6.02 0.28 -4.64 117.38 117.76 3ga4 n GLN 75 Ca -0.13 -0.10 -0.22 0.00 -0.01 0.00 0.00 57.00 56.54 3ga4 n GLN 75 Cb 1.02 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.73 3ga4 n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ga4 n ALA 76 N -1.87 2.92 0.25 -1.58 0.00 0.55 -4.96 120.51 115.82 3ga4 n ALA 76 Ca 0.00 -3.84 0.10 0.00 0.00 0.00 0.00 53.44 49.70 3ga4 n ALA 76 Cb 0.44 -0.86 0.66 0.00 0.00 0.00 0.00 19.45 19.70 3ga4 n ALA 76 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ga4 h PRO 77 N 3.32 0.00 0.00 0.00 0.13 -1.73 -2.05 132.00 131.67 3ga4 h PRO 77 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ga4 h PRO 77 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3ga4 h PRO 77 CO 0.60 0.14 -0.14 1.04 -0.23 0.00 0.00 178.00 179.41 3ga4 n GLN 78 N -3.90 0.18 -1.73 0.86 1.13 -1.26 -4.90 117.38 107.75 3ga4 n GLN 78 Ca -0.02 0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.74 3ga4 n GLN 78 Cb 0.23 -1.69 -0.03 0.00 0.11 0.00 0.00 30.24 28.86 3ga4 n GLN 78 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3ga4 s SER 79 N -4.00 6.39 -1.27 1.08 0.15 -0.77 -4.87 113.70 110.42 3ga4 s SER 79 Ca 0.11 2.84 -0.15 0.00 0.70 0.00 0.00 55.95 59.45 3ga4 s SER 79 Cb 0.14 -2.59 0.12 0.00 -1.71 0.00 0.00 66.02 61.98 3ga4 s SER 79 CO 0.61 -0.97 1.65 0.18 1.20 0.00 0.00 173.24 175.90 3ga4 n LEU 80 N 4.30 5.34 -4.12 3.45 4.77 -1.26 -4.92 117.00 124.57 3ga4 n LEU 80 Ca 0.16 -4.24 -0.13 0.00 -0.03 0.00 0.00 56.01 51.77 3ga4 n LEU 80 Cb 0.36 -1.66 -0.11 0.00 -2.33 0.00 0.00 43.42 39.68 3ga4 n LEU 80 CO 0.64 0.58 -0.40 0.54 -1.33 0.00 0.00 177.39 177.42 3ga4 s ASN 81 N 3.23 1.08 -0.03 -1.43 2.20 -1.26 -0.91 114.94 117.82 3ga4 s ASN 81 Ca 0.47 -0.72 0.02 0.00 -0.94 0.00 0.00 52.86 51.70 3ga4 s ASN 81 Cb 0.02 0.04 0.01 0.00 -2.00 0.00 0.00 41.25 39.32 3ga4 s ASN 81 CO 0.03 -0.27 -0.09 -0.76 -2.94 0.00 0.00 177.10 173.07 3ga4 s LEU 82 N -2.11 1.68 -0.15 3.54 1.43 -0.46 -4.91 118.68 117.69 3ga4 s LEU 82 Ca -0.01 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3ga4 s LEU 82 Cb -0.05 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 3ga4 s LEU 82 CO -0.01 0.04 0.07 -0.36 0.23 0.00 0.00 176.35 176.32 3ga4 s PHE 83 N 0.40 3.31 0.10 0.29 0.40 -1.26 -0.66 117.98 120.56 3ga4 s PHE 83 Ca -0.07 0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.52 3ga4 s PHE 83 Cb -0.11 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 3ga4 s PHE 83 CO 0.01 0.33 -0.15 -0.06 0.70 0.00 0.00 175.22 176.05 3ga4 s PHE 84 N -0.13 1.38 0.08 0.36 0.08 0.82 -0.47 117.98 120.10 3ga4 s PHE 84 Ca 0.07 -0.50 0.07 0.00 0.12 0.00 0.00 56.93 56.70 3ga4 s PHE 84 Cb -0.12 -0.75 -0.03 0.00 -0.57 0.00 0.00 43.02 41.55 3ga4 s PHE 84 CO 0.01 0.12 -0.19 0.95 -0.10 0.00 0.00 175.22 176.01 3ga4 s THR 85 N -1.64 1.54 -0.01 0.64 -4.23 -0.35 -1.38 115.64 110.21 3ga4 s THR 85 Ca 0.04 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 3ga4 s THR 85 Cb -0.08 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.37 3ga4 s THR 85 CO 0.03 -0.03 -0.01 0.54 -0.54 0.00 0.00 174.62 174.61 3ga4 s VAL 86 N -1.07 0.17 -0.23 2.29 0.11 0.06 -0.67 120.40 121.06 3ga4 s VAL 86 Ca 0.05 -0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 3ga4 s VAL 86 Cb -0.10 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 3ga4 s VAL 86 CO 0.03 0.08 0.16 -0.62 -3.33 0.00 0.00 175.10 171.42 3ga4 s ASP 87 N 0.29 6.16 0.63 3.54 -1.08 -1.26 -0.90 116.67 124.04 3ga4 s ASP 87 Ca -0.03 0.16 0.41 0.00 -0.52 0.00 0.00 52.55 52.58 3ga4 s ASP 87 Cb -0.05 -2.10 2.09 0.00 -1.46 0.00 0.00 42.92 41.39 3ga4 s ASP 87 CO -0.01 0.10 2.25 -0.37 0.52 0.00 0.00 175.17 177.66 3ga4 h VAL 88 N 4.90 0.03 -0.00 1.11 -1.51 -1.47 -0.36 116.25 118.95 3ga4 h VAL 88 Ca -0.39 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 3ga4 h VAL 88 Cb 1.16 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3ga4 h VAL 88 CO 0.69 0.00 -0.16 0.59 -1.23 0.00 0.00 177.57 177.47 3ga4 n ASN 89 N -3.12 0.19 -0.05 4.19 3.02 -1.26 -4.19 115.26 114.04 3ga4 n ASN 89 Ca -0.02 0.15 -0.04 0.00 -0.03 0.00 0.00 54.58 54.64 3ga4 n ASN 89 Cb 0.15 -0.23 -0.11 0.00 -0.61 0.00 0.00 39.78 38.97 3ga4 n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ga4 n GLU 90 N -1.44 1.47 -3.59 3.52 1.02 -0.16 -4.84 120.64 116.62 3ga4 n GLU 90 Ca 0.08 -0.04 -0.27 0.00 -0.02 0.00 0.00 57.16 56.91 3ga4 n GLU 90 Cb 0.33 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 3ga4 n GLU 90 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3ga4 n VAL 91 N -2.40 0.55 0.13 2.62 0.31 -1.12 -4.38 118.33 114.05 3ga4 n VAL 91 Ca -0.18 -4.35 0.06 0.00 -0.01 0.00 0.00 64.34 59.86 3ga4 n VAL 91 Cb 0.82 -1.97 0.53 0.00 -0.91 0.00 0.00 33.84 32.30 3ga4 n VAL 91 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ga4 h PRO 92 N 5.16 0.26 -0.49 5.55 0.13 -1.88 -2.05 132.00 138.67 3ga4 h PRO 92 Ca 0.19 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.22 3ga4 h PRO 92 Cb 0.80 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 3ga4 h PRO 92 CO 0.59 0.18 -0.02 0.37 -0.23 0.00 0.00 178.00 178.90 3ga4 h GLN 93 N 0.27 0.83 -0.48 0.86 5.75 -1.96 -0.58 115.11 119.80 3ga4 h GLN 93 Ca 0.07 -0.24 -0.10 0.00 -0.15 0.00 0.00 58.65 58.23 3ga4 h GLN 93 Cb -0.01 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3ga4 h GLN 93 CO -0.01 0.85 -0.09 1.25 -2.65 0.00 0.00 178.83 178.18 3ga4 h LEU 94 N 0.77 0.90 -0.47 -2.39 6.46 -1.81 0.17 115.31 118.95 3ga4 h LEU 94 Ca 0.15 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.59 3ga4 h LEU 94 Cb 0.49 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 3ga4 h LEU 94 CO 0.02 1.04 0.25 0.58 -0.62 0.00 0.00 178.44 179.71 3ga4 h VAL 95 N 0.75 0.99 0.39 1.05 2.07 -1.11 -0.47 116.25 119.92 3ga4 h VAL 95 Ca 0.12 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3ga4 h VAL 95 Cb 0.63 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3ga4 h VAL 95 CO 0.04 0.09 -0.19 0.11 0.02 0.00 0.00 177.57 177.65 3ga4 h LYS 96 N 0.49 -0.50 -0.95 1.57 1.57 -0.89 -1.66 116.57 116.20 3ga4 h LYS 96 Ca 0.20 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 3ga4 h LYS 96 Cb 0.08 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3ga4 h LYS 96 CO -0.13 -0.26 0.60 -0.44 -0.57 0.00 0.00 179.45 178.65 3ga4 h ASP 97 N -0.65 0.94 -0.08 0.86 3.32 -0.43 -1.65 116.42 118.74 3ga4 h ASP 97 Ca -0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ga4 h ASP 97 Cb 0.47 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3ga4 h ASP 97 CO 0.09 0.58 0.00 0.18 -1.72 0.00 0.00 179.24 178.37 3ga4 n LEU 98 N -4.57 1.89 -3.75 1.55 4.77 -0.21 -4.84 117.00 111.84 3ga4 n LEU 98 Ca 0.15 -0.68 -0.26 0.00 -0.03 0.00 0.00 56.01 55.19 3ga4 n LEU 98 Cb 0.22 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3ga4 n LEU 98 CO 0.31 0.34 0.11 0.29 -1.33 0.00 0.00 177.39 177.11 3ga4 n LYS 99 N 0.47 -6.12 -2.31 3.23 4.76 -0.62 -4.91 118.16 112.65 3ga4 n LYS 99 Ca 0.18 0.68 -0.41 0.00 -2.87 0.00 0.00 58.31 55.89 3ga4 n LYS 99 Cb 0.40 -5.56 -0.03 0.00 -1.84 0.00 0.00 35.03 28.00 3ga4 n LYS 99 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ga4 s LEU 100 N -7.10 4.48 0.00 -0.35 1.43 -0.70 -4.92 118.68 111.52 3ga4 s LEU 100 Ca 0.46 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.97 3ga4 s LEU 100 Cb -0.22 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.37 3ga4 s LEU 100 CO 0.79 -0.36 0.00 0.00 0.23 0.00 0.00 176.35 177.01 3ga4 n GLN 101 N 1.54 4.44 -3.85 1.70 6.02 -1.26 -4.95 117.38 121.02 3ga4 n GLN 101 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 3ga4 n GLN 101 Cb 0.44 -0.34 -0.01 0.00 1.02 0.00 0.00 30.24 31.34 3ga4 n GLN 101 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ga4 s ASN 102 N -0.67 -0.22 0.05 1.08 2.20 -1.26 -5.18 114.94 110.93 3ga4 s ASN 102 Ca 0.00 -0.64 -0.03 0.00 -0.94 0.00 0.00 52.86 51.25 3ga4 s ASN 102 Cb 0.00 0.72 -0.03 0.00 -2.00 0.00 0.00 41.25 39.94 3ga4 s ASN 102 CO 0.00 -1.33 0.03 0.68 -2.94 0.00 0.00 177.10 173.54 3ga4 s VAL 103 N -3.69 0.18 0.50 3.54 -7.23 -1.26 -4.75 120.40 107.69 3ga4 s VAL 103 Ca 0.12 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3ga4 s VAL 103 Cb -0.05 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.70 3ga4 s VAL 103 CO 0.07 -0.80 0.72 -2.16 -0.31 0.00 0.00 175.10 172.62 3ga4 s PRO 104 N -3.32 2.75 0.03 4.82 0.04 -1.26 -4.94 135.00 133.12 3ga4 s PRO 104 Ca 0.01 -0.70 0.02 0.00 0.04 0.00 0.00 61.00 60.37 3ga4 s PRO 104 Cb 0.03 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 3ga4 s PRO 104 CO -0.08 -0.52 -0.08 -1.01 0.04 0.00 0.00 177.00 175.35 3ga4 s HIS 105 N -2.66 0.68 -0.19 0.56 3.76 -0.26 -4.79 115.29 112.39 3ga4 s HIS 105 Ca 0.54 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 55.06 3ga4 s HIS 105 Cb -0.10 -0.41 0.04 0.00 1.11 0.00 0.00 32.58 33.22 3ga4 s HIS 105 CO 0.38 -0.05 -0.10 -1.17 -0.85 0.00 0.00 174.74 172.94 3ga4 s LEU 106 N -1.23 2.19 0.15 0.89 1.98 -1.26 -0.38 118.68 121.03 3ga4 s LEU 106 Ca -0.06 -0.84 0.10 0.00 -2.89 0.00 0.00 54.13 50.43 3ga4 s LEU 106 Cb -0.08 -1.21 -0.04 0.00 0.66 0.00 0.00 46.19 45.52 3ga4 s LEU 106 CO 0.00 -0.14 -0.22 0.68 -1.89 0.00 0.00 176.35 174.78 3ga4 s VAL 107 N 1.42 2.00 -0.13 1.68 -7.23 -0.52 -1.24 120.40 116.38 3ga4 s VAL 107 Ca -0.01 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 58.34 3ga4 s VAL 107 Cb -0.16 -1.86 0.03 0.00 0.56 0.00 0.00 36.38 34.95 3ga4 s VAL 107 CO -0.08 -0.13 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.81 3ga4 s VAL 108 N -1.55 1.10 -0.23 1.32 1.01 0.52 -0.65 120.40 121.91 3ga4 s VAL 108 Ca 0.14 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3ga4 s VAL 108 Cb -0.08 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3ga4 s VAL 108 CO 0.07 0.31 0.42 -0.31 0.00 0.00 0.00 175.10 175.59 3ga4 s TYR 109 N 1.67 3.31 0.80 5.22 2.02 0.43 -0.86 117.35 129.94 3ga4 s TYR 109 Ca 0.04 0.56 -0.11 0.00 -0.37 0.00 0.00 57.07 57.19 3ga4 s TYR 109 Cb -0.13 -2.58 0.07 0.00 -0.40 0.00 0.00 41.96 38.92 3ga4 s TYR 109 CO -0.08 -0.13 1.09 -1.25 -1.57 0.00 0.00 175.55 173.60 3ga4 s PRO 110 N 1.75 2.02 0.57 -1.71 0.04 -1.26 -0.73 135.00 135.68 3ga4 s PRO 110 Ca 0.18 1.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 3ga4 s PRO 110 Cb -0.15 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3ga4 s PRO 110 CO 0.09 -1.77 1.23 -1.25 0.04 0.00 0.00 177.00 175.33 3ga4 s PRO 111 N -4.93 3.08 0.67 0.56 0.04 -1.23 -4.79 135.00 128.39 3ga4 s PRO 111 Ca 0.62 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 3ga4 s PRO 111 Cb -0.17 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3ga4 s PRO 111 CO 0.56 -1.14 1.19 0.00 0.04 0.00 0.00 177.00 177.65 3ga4 s ALA 112 N -1.54 2.34 0.61 8.56 0.00 -1.26 -4.98 121.76 125.49 3ga4 s ALA 112 Ca 0.75 0.86 -0.19 0.00 0.00 0.00 0.00 51.96 53.38 3ga4 s ALA 112 Cb -0.32 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3ga4 s ALA 112 CO 0.35 -1.50 1.15 0.39 0.00 0.00 0.00 175.76 176.15 3ga4 n GLU 113 N -2.26 1.10 -0.31 0.00 -0.58 -1.26 -4.68 120.64 112.64 3ga4 n GLU 113 Ca 0.13 0.42 0.05 0.00 -0.42 0.00 0.00 57.16 57.34 3ga4 n GLU 113 Cb 0.50 -2.37 0.20 0.00 -0.57 0.00 0.00 31.44 29.20 3ga4 n GLU 113 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 3ga4 h SER 114 N 0.64 0.72 0.54 1.62 0.02 -2.00 -1.27 113.55 113.83 3ga4 h SER 114 Ca -0.50 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3ga4 h SER 114 Cb 1.35 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3ga4 h SER 114 CO 0.53 0.39 0.00 -0.46 -1.14 0.00 0.00 176.83 176.15 3ga4 n ASN 115 N -4.73 0.00 -0.10 3.07 6.94 -1.26 -2.72 115.26 116.46 3ga4 n ASN 115 Ca 0.16 0.14 0.07 0.00 -0.02 0.00 0.00 54.58 54.93 3ga4 n ASN 115 Cb 0.32 -0.36 0.10 0.00 -2.36 0.00 0.00 39.78 37.49 3ga4 n ASN 115 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ga4 n LYS 116 N -1.36 1.43 -0.31 -3.83 5.02 -0.53 -4.86 118.16 113.73 3ga4 n LYS 116 Ca 0.09 -2.22 0.02 0.00 -2.02 0.00 0.00 58.31 54.19 3ga4 n LYS 116 Cb 0.21 -1.31 0.16 0.00 -0.02 0.00 0.00 35.03 34.07 3ga4 n LYS 116 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3ga4 h GLN 117 N 0.00 0.86 0.00 1.97 4.15 -1.21 -2.40 115.11 118.49 3ga4 h GLN 117 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ga4 h GLN 117 Cb 0.95 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3ga4 h GLN 117 CO 0.00 0.57 0.00 0.66 -1.93 0.00 0.00 178.83 178.13 3ga4 h SER 118 N 0.89 0.00 -0.06 -0.69 4.64 -1.89 -2.42 113.55 114.03 3ga4 h SER 118 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3ga4 h SER 118 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3ga4 h SER 118 CO -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.74 3ga4 n GLN 119 N -2.38 2.13 -2.16 4.77 10.64 -0.90 -4.95 117.38 124.53 3ga4 n GLN 119 Ca 0.02 -1.64 -0.42 0.00 -1.83 0.00 0.00 57.00 53.12 3ga4 n GLN 119 Cb 0.23 -1.47 -0.03 0.00 -0.86 0.00 0.00 30.24 28.11 3ga4 n GLN 119 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 3ga4 s PHE 120 N -1.95 3.05 -0.17 2.61 2.19 -0.91 -4.85 117.98 117.95 3ga4 s PHE 120 Ca 0.32 0.85 -0.19 0.00 0.33 0.00 0.00 56.93 58.24 3ga4 s PHE 120 Cb 0.20 -3.71 0.05 0.00 -1.31 0.00 0.00 43.02 38.26 3ga4 s PHE 120 CO 0.31 -2.56 0.52 -1.21 1.83 0.00 0.00 175.22 174.10 3ga4 s GLU 121 N 1.60 0.64 0.39 10.12 2.02 -1.26 -4.60 118.70 127.62 3ga4 s GLU 121 Ca 0.65 0.63 0.13 0.00 0.02 0.00 0.00 54.97 56.40 3ga4 s GLU 121 Cb -0.36 0.31 0.95 0.00 0.10 0.00 0.00 34.13 35.13 3ga4 s GLU 121 CO 0.29 -0.10 1.87 -1.49 0.02 0.00 0.00 175.26 175.86 3ga4 h TRP 122 N 5.07 0.66 0.00 1.61 6.55 -1.77 0.45 115.95 128.52 3ga4 h TRP 122 Ca -0.28 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.58 3ga4 h TRP 122 Cb 1.17 -0.21 0.00 0.00 -0.86 0.00 0.00 29.16 29.26 3ga4 h TRP 122 CO 0.40 0.22 0.00 1.57 -1.05 0.00 0.00 178.44 179.59 3ga4 h LYS 123 N 0.54 0.00 0.00 0.49 2.10 -1.88 -3.31 116.57 114.51 3ga4 h LYS 123 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 3ga4 h LYS 123 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 3ga4 h LYS 123 CO -0.18 0.00 -0.04 0.25 -2.00 0.00 0.00 179.45 177.47 3ga4 n THR 124 N -2.41 0.00 -2.44 0.07 -2.24 -0.68 -4.92 114.28 101.66 3ga4 n THR 124 Ca 0.03 -0.31 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 3ga4 n THR 124 Cb 0.32 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 3ga4 n THR 124 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ga4 s SER 125 N -0.70 6.59 0.55 3.42 0.15 0.06 -4.95 113.70 118.83 3ga4 s SER 125 Ca 0.00 2.14 -0.20 0.00 0.70 0.00 0.00 55.95 58.59 3ga4 s SER 125 Cb 0.00 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.67 3ga4 s SER 125 CO 0.00 -0.61 1.21 -2.84 1.20 0.00 0.00 173.24 172.19 3ga4 s PRO 126 N -2.50 3.22 0.03 5.44 0.02 -1.26 -4.98 135.00 134.96 3ga4 s PRO 126 Ca 0.59 1.83 -0.10 0.00 0.02 0.00 0.00 61.00 63.34 3ga4 s PRO 126 Cb -0.25 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.20 3ga4 s PRO 126 CO 0.31 -1.01 0.22 -0.59 -0.33 0.00 0.00 177.00 175.60 3ga4 s PHE 127 N -1.57 0.01 0.14 6.54 -0.71 -1.26 -4.35 117.98 116.77 3ga4 s PHE 127 Ca 0.73 -0.18 -0.20 0.00 -1.04 0.00 0.00 56.93 56.24 3ga4 s PHE 127 Cb -0.30 -0.00 -0.07 0.00 -1.21 0.00 0.00 43.02 41.43 3ga4 s PHE 127 CO 0.34 -0.43 0.64 0.71 -1.34 0.00 0.00 175.22 175.14 3ga4 s TYR 128 N -2.38 3.76 -0.07 3.49 2.02 -0.04 -4.89 117.35 119.23 3ga4 s TYR 128 Ca -0.06 1.33 0.05 0.00 -0.37 0.00 0.00 57.07 58.01 3ga4 s TYR 128 Cb -0.02 -2.55 -0.01 0.00 -0.40 0.00 0.00 41.96 38.98 3ga4 s TYR 128 CO -0.03 0.49 -0.22 -1.14 -1.57 0.00 0.00 175.55 173.08 3ga4 s GLN 129 N -1.46 2.71 -0.45 -0.62 0.74 -1.26 -0.36 119.66 118.97 3ga4 s GLN 129 Ca 0.35 -0.85 -0.16 0.00 0.05 0.00 0.00 55.36 54.74 3ga4 s GLN 129 Cb -0.19 -2.26 0.04 0.00 1.10 0.00 0.00 33.01 31.71 3ga4 s GLN 129 CO 0.21 0.36 0.40 -0.47 -0.55 0.00 0.00 175.29 175.23 3ga4 s TYR 130 N -0.09 3.21 0.13 1.67 5.04 -0.37 -5.03 117.35 121.91 3ga4 s TYR 130 Ca -0.05 -0.68 -0.31 0.00 -2.44 0.00 0.00 57.07 53.59 3ga4 s TYR 130 Cb -0.14 -2.97 -0.09 0.00 0.35 0.00 0.00 41.96 39.10 3ga4 s TYR 130 CO 0.04 -0.74 1.63 -1.12 -1.34 0.00 0.00 175.55 174.03 3ga4 s SER 131 N 2.17 6.57 -0.19 4.32 0.01 -1.26 -4.14 113.70 121.18 3ga4 s SER 131 Ca 0.07 2.59 -0.05 0.00 1.31 0.00 0.00 55.95 59.87 3ga4 s SER 131 Cb -0.21 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.41 3ga4 s SER 131 CO 0.10 -0.87 0.01 -0.76 0.41 0.00 0.00 173.24 172.12 3ga4 s LEU 132 N 1.87 3.39 0.10 2.44 1.43 -1.26 -4.99 118.68 121.65 3ga4 s LEU 132 Ca 0.73 -0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 3ga4 s LEU 132 Cb -0.43 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3ga4 s LEU 132 CO 0.32 0.10 0.06 0.68 0.23 0.00 0.00 176.35 177.75 3ga4 s VAL 133 N 0.78 0.15 0.43 -1.59 -7.23 -1.26 -4.97 120.40 106.71 3ga4 s VAL 133 Ca 0.01 -1.72 0.18 0.00 -1.81 0.00 0.00 61.98 58.64 3ga4 s VAL 133 Cb -0.14 -1.72 0.38 0.00 0.56 0.00 0.00 36.38 35.46 3ga4 s VAL 133 CO 0.02 -0.68 1.88 -0.65 -0.31 0.00 0.00 175.10 175.36 3ga4 h PRO 134 N 2.93 0.37 0.00 4.82 0.11 -1.98 -1.36 132.00 136.89 3ga4 h PRO 134 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3ga4 h PRO 134 Cb 1.18 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ga4 h PRO 134 CO 0.60 0.24 -0.05 0.93 -0.21 0.00 0.00 178.00 179.52 3ga4 h GLU 135 N 0.38 0.00 -0.12 1.05 3.07 -2.01 -2.93 114.58 114.03 3ga4 h GLU 135 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 3ga4 h GLU 135 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3ga4 h GLU 135 CO -0.15 0.05 0.00 0.27 -1.40 0.00 0.00 179.01 177.78 3ga4 n ASN 136 N -4.18 2.32 0.03 1.42 0.23 -0.55 -4.75 115.26 109.78 3ga4 n ASN 136 Ca -0.03 -2.02 0.16 0.00 -0.53 0.00 0.00 54.58 52.16 3ga4 n ASN 136 Cb 0.13 -0.08 0.63 0.00 -2.08 0.00 0.00 39.78 38.38 3ga4 n ASN 136 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ga4 h ALA 137 N 0.68 2.27 -0.06 -2.53 0.00 -1.25 -2.43 119.26 115.94 3ga4 h ALA 137 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ga4 h ALA 137 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ga4 h ALA 137 CO 0.00 -0.39 0.00 0.39 0.00 0.00 0.00 179.25 179.25 3ga4 n GLU 138 N -4.44 1.93 -3.01 0.00 1.02 -1.26 -3.73 120.64 111.16 3ga4 n GLU 138 Ca 0.07 -2.41 -0.44 0.00 -0.02 0.00 0.00 57.16 54.36 3ga4 n GLU 138 Cb 0.44 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 3ga4 n GLU 138 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3ga4 s ASN 139 N -2.30 6.72 0.28 1.62 3.84 -0.92 -4.83 114.94 119.35 3ga4 s ASN 139 Ca 0.28 -2.30 0.09 0.00 0.21 0.00 0.00 52.86 51.14 3ga4 s ASN 139 Cb 0.23 -2.36 0.39 0.00 -0.55 0.00 0.00 41.25 38.97 3ga4 s ASN 139 CO 0.04 -0.92 1.64 0.71 -2.79 0.00 0.00 177.10 175.77 3ga4 h THR 140 N 5.47 1.40 0.02 -5.21 1.35 -1.91 -2.60 112.91 111.43 3ga4 h THR 140 Ca 0.17 -1.93 -0.00 0.00 -0.55 0.00 0.00 66.41 64.10 3ga4 h THR 140 Cb 1.01 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3ga4 h THR 140 CO 1.06 0.56 -0.01 0.25 -0.25 0.00 0.00 175.52 177.13 3ga4 h LEU 141 N 0.05 -0.02 -0.50 3.87 5.85 -1.93 0.22 115.31 122.85 3ga4 h LEU 141 Ca -0.00 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 3ga4 h LEU 141 Cb 1.01 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3ga4 h LEU 141 CO 0.08 0.06 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.63 3ga4 h GLN 142 N -0.10 0.89 -0.50 1.25 4.15 -1.96 -0.49 115.11 118.35 3ga4 h GLN 142 Ca -0.00 -0.29 -0.11 0.00 0.77 0.00 0.00 58.65 59.02 3ga4 h GLN 142 Cb 0.10 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3ga4 h GLN 142 CO 0.00 0.92 -0.11 0.35 -1.93 0.00 0.00 178.83 178.07 3ga4 h PHE 143 N 0.75 1.07 -0.89 3.99 3.57 -1.42 -1.84 116.94 122.17 3ga4 h PHE 143 Ca 0.14 -0.23 0.03 0.00 3.53 0.00 0.00 57.97 61.45 3ga4 h PHE 143 Cb 0.52 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3ga4 h PHE 143 CO 0.04 1.02 0.58 0.78 -2.23 0.00 0.00 178.31 178.49 3ga4 h GLY 144 N 0.81 1.28 1.00 2.40 0.00 -0.78 -2.01 103.07 105.77 3ga4 h GLY 144 Ca 0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3ga4 h GLY 144 CO 0.05 0.39 0.34 -0.55 0.00 0.00 0.00 176.54 176.77 3ga4 h ASP 145 N 1.13 0.83 0.08 0.19 3.32 -0.78 0.80 116.42 122.01 3ga4 h ASP 145 Ca 0.35 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3ga4 h ASP 145 Cb -0.02 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3ga4 h ASP 145 CO -0.11 0.70 -0.11 0.15 -1.72 0.00 0.00 179.24 178.16 3ga4 h PHE 146 N 0.90 -0.28 -0.33 4.55 3.57 -0.93 -1.41 116.94 123.01 3ga4 h PHE 146 Ca 0.23 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 3ga4 h PHE 146 Cb 0.07 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3ga4 h PHE 146 CO -0.00 -0.17 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.63 3ga4 h LEU 147 N -0.23 0.64 -0.96 0.59 3.38 -1.24 -2.51 115.31 114.98 3ga4 h LEU 147 Ca 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3ga4 h LEU 147 Cb 0.23 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3ga4 h LEU 147 CO -0.05 0.84 0.42 0.00 0.09 0.00 0.00 178.44 179.74 3ga4 h ALA 148 N 1.21 1.20 -0.37 1.53 0.00 -0.56 0.16 119.26 122.43 3ga4 h ALA 148 Ca 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3ga4 h ALA 148 Cb 0.67 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ga4 h ALA 148 CO 0.05 0.63 0.01 0.87 0.00 0.00 0.00 179.25 180.81 3ga4 h LYS 149 N 1.15 0.64 -0.37 0.00 1.57 -1.06 -0.05 116.57 118.46 3ga4 h LYS 149 Ca 0.29 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 3ga4 h LYS 149 Cb 0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ga4 h LYS 149 CO -0.04 0.74 -0.18 0.82 -0.57 0.00 0.00 179.45 180.22 3ga4 h ILE 150 N 0.46 1.28 -0.00 1.86 2.04 -1.06 -3.10 117.51 118.99 3ga4 h ILE 150 Ca 0.11 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.67 3ga4 h ILE 150 Cb 0.44 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3ga4 h ILE 150 CO 0.02 0.43 -0.14 0.18 0.00 0.00 0.00 178.15 178.63 3ga4 n LEU 151 N -4.29 0.52 -3.52 1.44 4.77 0.51 -4.95 117.00 111.49 3ga4 n LEU 151 Ca -0.02 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.76 3ga4 n LEU 151 Cb 0.41 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3ga4 n LEU 151 CO 0.44 0.10 0.01 -3.20 -1.33 0.00 0.00 177.39 173.41 3ga4 n ASN 152 N -0.96 -2.80 -4.38 -1.43 5.15 -0.13 -5.02 115.26 105.69 3ga4 n ASN 152 Ca 0.13 -0.75 -0.19 0.00 -0.60 0.00 0.00 54.58 53.18 3ga4 n ASN 152 Cb 0.29 -4.58 -0.10 0.00 -0.53 0.00 0.00 39.78 34.86 3ga4 n ASN 152 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3ga4 s ILE 153 N -3.50 1.03 -0.25 -1.44 -4.36 -0.60 -5.05 121.20 107.03 3ga4 s ILE 153 Ca 0.12 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3ga4 s ILE 153 Cb -0.03 -2.59 0.06 0.00 1.25 0.00 0.00 42.46 41.15 3ga4 s ILE 153 CO 0.77 -0.13 -0.06 -0.55 0.24 0.00 0.00 174.94 175.22 3ga4 s SER 154 N -3.39 4.03 0.20 4.36 0.15 -1.26 -4.61 113.70 113.18 3ga4 s SER 154 Ca 0.34 -1.27 0.09 0.00 0.70 0.00 0.00 55.95 55.81 3ga4 s SER 154 Cb 0.07 -1.28 -0.05 0.00 -1.71 0.00 0.00 66.02 63.06 3ga4 s SER 154 CO 0.13 -0.23 -0.17 0.27 1.20 0.00 0.00 173.24 174.43 3ga4 s ILE 155 N 1.31 1.92 -0.25 6.45 -4.36 -1.26 -4.99 121.20 120.02 3ga4 s ILE 155 Ca -0.06 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.21 3ga4 s ILE 155 Cb -0.19 -2.02 0.07 0.00 1.25 0.00 0.00 42.46 41.56 3ga4 s ILE 155 CO -0.06 -0.44 -0.04 -0.89 0.24 0.00 0.00 174.94 173.74 3ga4 s THR 156 N -2.52 1.59 -0.12 8.37 2.01 -1.26 -5.04 115.64 118.68 3ga4 s THR 156 Ca 0.21 -1.35 -0.20 0.00 0.31 0.00 0.00 61.69 60.66 3ga4 s THR 156 Cb -0.04 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3ga4 s THR 156 CO 0.08 -0.17 0.56 -0.69 -0.69 0.00 0.00 174.62 173.71 3ga4 s VAL 157 N 1.35 5.12 0.19 3.82 1.01 -1.26 -5.02 120.40 125.61 3ga4 s VAL 157 Ca -0.04 1.12 -0.33 0.00 0.00 0.00 0.00 61.98 62.73 3ga4 s VAL 157 Cb -0.19 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.15 3ga4 s VAL 157 CO -0.07 0.27 1.42 -2.65 0.00 0.00 0.00 175.10 174.07 3ga4 n PRO 158 N 3.94 1.84 -4.38 2.72 -0.02 -1.26 -4.96 135.00 132.88 3ga4 n PRO 158 Ca -0.05 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 3ga4 n PRO 158 Cb 0.51 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.54 3ga4 n PRO 158 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3ga4 s GLN 159 N 0.12 1.70 0.17 -0.52 -1.52 -1.26 -4.98 119.66 113.37 3ga4 s GLN 159 Ca 0.74 -1.21 -0.10 0.00 -1.95 0.00 0.00 55.36 52.84 3ga4 s GLN 159 Cb -0.72 -2.06 0.04 0.00 -0.22 0.00 0.00 33.01 30.05 3ga4 s GLN 159 CO 0.46 0.48 1.61 0.00 -0.25 0.00 0.00 175.29 177.59 3ga4 h ALA 160 N 3.88 0.75 -2.84 6.09 0.00 -2.00 -3.41 119.26 121.73 3ga4 h ALA 160 Ca -0.50 -0.31 -0.64 0.00 0.00 0.00 0.00 54.91 53.46 3ga4 h ALA 160 Cb 1.17 -0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.59 3ga4 h ALA 160 CO 0.44 0.60 -0.42 0.12 0.00 0.00 0.00 179.25 179.99 3ga4 s PHE 161 N -4.97 3.23 0.00 0.00 5.36 -1.26 -5.32 117.98 115.02 3ga4 s PHE 161 Ca -0.12 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 3ga4 s PHE 161 Cb 0.13 -2.45 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 3ga4 s PHE 161 CO 0.85 -0.18 0.23 0.09 -1.46 0.00 0.00 175.22 174.75