#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3a s PHE 3 N 0.00 3.21 -0.23 3.10 0.08 -1.26 -5.07 117.98 117.81 2g3a s PHE 3 Ca 0.00 -0.73 -0.02 0.00 0.12 0.00 0.00 56.93 56.30 2g3a s PHE 3 Cb 0.00 -2.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 2g3a s PHE 3 CO 0.00 -0.54 -0.07 0.08 -0.10 0.00 0.00 175.22 174.59 2g3a s VAL 4 N 1.59 2.99 0.06 -0.44 1.01 -1.26 -5.10 120.40 119.26 2g3a s VAL 4 Ca 0.04 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 2g3a s VAL 4 Cb -0.18 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2g3a s VAL 4 CO 0.07 0.33 0.66 -0.22 0.00 0.00 0.00 175.10 175.93 2g3a s LEU 5 N 1.38 4.49 0.01 3.92 2.96 -1.26 -5.08 118.68 125.11 2g3a s LEU 5 Ca 0.03 1.35 -0.07 0.00 -0.22 0.00 0.00 54.13 55.23 2g3a s LEU 5 Cb -0.15 -3.06 -0.00 0.00 0.50 0.00 0.00 46.19 43.48 2g3a s LEU 5 CO -0.05 0.16 0.12 -0.55 -1.32 0.00 0.00 176.35 174.71 2g3a s SER 6 N -0.63 0.07 -0.13 3.68 0.15 -1.26 -5.05 113.70 110.52 2g3a s SER 6 Ca 0.33 -0.29 0.15 0.00 0.70 0.00 0.00 55.95 56.84 2g3a s SER 6 Cb -0.20 0.20 0.30 0.00 -1.71 0.00 0.00 66.02 64.62 2g3a s SER 6 CO 0.21 -0.40 1.15 -0.90 1.20 0.00 0.00 173.24 174.50 2g3a n ASP 7 N 1.31 1.85 -4.37 5.45 5.75 -1.26 -5.03 116.55 120.25 2g3a n ASP 7 Ca -0.22 -3.14 -0.30 0.00 -0.01 0.00 0.00 54.79 51.11 2g3a n ASP 7 Cb 0.56 -0.43 -0.14 0.00 -1.03 0.00 0.00 41.12 40.08 2g3a n ASP 7 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2g3a s VAL 8 N -2.52 2.27 0.37 2.12 -7.23 -1.26 -5.12 120.40 109.04 2g3a s VAL 8 Ca 0.30 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 58.85 2g3a s VAL 8 Cb 0.28 -1.90 -0.10 0.00 0.56 0.00 0.00 36.38 35.22 2g3a s VAL 8 CO -0.01 0.36 1.43 0.00 -0.31 0.00 0.00 175.10 176.57 2g3a s ALA 9 N -0.83 3.51 -0.27 1.32 0.00 -1.26 -5.01 121.76 119.22 2g3a s ALA 9 Ca 0.12 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2g3a s ALA 9 Cb -0.10 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 19.60 2g3a s ALA 9 CO 0.03 -0.96 0.39 0.34 0.00 0.00 0.00 175.76 175.56 2g3a s ASP 10 N -0.29 0.43 0.12 0.00 2.15 -1.26 -5.06 116.67 112.76 2g3a s ASP 10 Ca 0.53 -0.20 -0.19 0.00 0.43 0.00 0.00 52.55 53.12 2g3a s ASP 10 Cb -0.44 1.07 -0.06 0.00 -0.30 0.00 0.00 42.92 43.19 2g3a s ASP 10 CO 0.59 -0.34 1.74 0.00 -0.17 0.00 0.00 175.17 177.00 2g3a h ALA 11 N 8.18 0.31 -0.32 3.66 0.00 -1.98 -0.97 119.26 128.13 2g3a h ALA 11 Ca -0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2g3a h ALA 11 Cb 1.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2g3a h ALA 11 CO 0.27 -0.18 -0.24 0.93 0.00 0.00 0.00 179.25 180.04 2g3a h GLU 12 N 0.30 0.64 -0.23 0.00 3.07 -1.98 0.66 114.58 117.04 2g3a h GLU 12 Ca 0.09 -0.25 -0.12 0.00 -0.50 0.00 0.00 59.36 58.58 2g3a h GLU 12 Cb 0.02 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2g3a h GLU 12 CO -0.02 0.82 -0.31 0.00 -1.40 0.00 0.00 179.01 178.10 2g3a h ALA 13 N 1.18 0.35 -0.55 3.43 0.00 -1.97 -1.97 119.26 119.73 2g3a h ALA 13 Ca 0.08 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2g3a h ALA 13 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2g3a h ALA 13 CO 0.05 0.38 0.07 0.93 0.00 0.00 0.00 179.25 180.68 2g3a h GLU 14 N 0.31 0.89 -0.70 0.00 5.08 -1.03 -2.58 114.58 116.56 2g3a h GLU 14 Ca 0.03 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2g3a h GLU 14 Cb 0.89 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2g3a h GLU 14 CO 0.07 0.84 0.27 -0.22 -1.00 0.00 0.00 179.01 178.98 2g3a h LYS 15 N 0.84 1.06 0.00 2.33 3.64 -0.86 -0.48 116.57 123.09 2g3a h LYS 15 Ca 0.17 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2g3a h LYS 15 Cb 0.41 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2g3a h LYS 15 CO 0.01 0.88 0.00 0.00 -2.27 0.00 0.00 179.45 178.07 2g3a h ALA 16 N 1.13 1.00 0.02 5.00 0.00 -0.96 0.51 119.26 125.96 2g3a h ALA 16 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.75 2g3a h ALA 16 Cb 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2g3a h ALA 16 CO -0.02 0.00 -2.35 -0.89 0.00 0.00 0.00 179.25 175.99 2g3a n ILE 17 N -2.49 1.55 -0.07 0.00 5.41 -1.08 -4.53 119.36 118.14 2g3a n ILE 17 Ca 0.01 -0.52 -0.11 0.00 1.00 0.00 0.00 62.75 63.13 2g3a n ILE 17 Cb 0.19 -1.60 -0.04 0.00 -0.71 0.00 0.00 39.64 37.48 2g3a n ILE 17 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2g3a h ARG 18 N -0.26 0.37 0.16 0.38 2.43 -0.72 -3.15 114.38 113.59 2g3a h ARG 18 Ca -0.57 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 58.53 2g3a h ARG 18 Cb 1.83 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.31 2g3a h ARG 18 CO -0.14 0.46 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.15 2g3a h ASP 19 N 0.22 -0.51 0.33 -3.80 3.32 -1.16 0.03 116.42 114.85 2g3a h ASP 19 Ca 0.08 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2g3a h ASP 19 Cb 0.24 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2g3a h ASP 19 CO -0.00 -0.28 -0.20 1.55 -1.72 0.00 0.00 179.24 178.59 2g3a h PRO 20 N -0.39 0.00 -0.30 3.56 0.13 -1.80 0.03 132.00 133.23 2g3a h PRO 20 Ca 0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.01 2g3a h PRO 20 Cb 0.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 2g3a h PRO 20 CO -0.07 0.20 -0.32 1.25 -0.23 0.00 0.00 178.00 178.83 2g3a h LEU 21 N 0.00 0.80 -0.55 1.56 5.85 -1.39 0.50 115.31 122.08 2g3a h LEU 21 Ca -0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2g3a h LEU 21 Cb 0.42 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2g3a h LEU 21 CO 0.03 1.12 0.36 0.58 -0.34 0.00 0.00 178.44 180.18 2g3a h VAL 22 N 0.50 1.14 -0.66 1.05 2.07 -0.55 -0.55 116.25 119.25 2g3a h VAL 22 Ca 0.05 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 2g3a h VAL 22 Cb 0.90 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2g3a h VAL 22 CO 0.08 0.14 0.20 0.00 0.02 0.00 0.00 177.57 178.01 2g3a h ALA 23 N 1.20 0.87 -0.49 1.67 0.00 -0.82 -0.46 119.26 121.23 2g3a h ALA 23 Ca 0.20 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2g3a h ALA 23 Cb -0.08 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2g3a h ALA 23 CO -0.04 0.55 0.32 -0.92 0.00 0.00 0.00 179.25 179.15 2g3a h TYR 24 N 0.96 0.60 -0.45 0.00 3.20 -0.74 -1.82 116.97 118.72 2g3a h TYR 24 Ca 0.21 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 2g3a h TYR 24 Cb 0.31 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2g3a h TYR 24 CO 0.02 0.37 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.85 2g3a h ASN 25 N 0.65 0.87 -0.26 -2.11 2.35 -0.73 -1.58 115.58 114.77 2g3a h ASN 25 Ca 0.19 -0.29 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2g3a h ASN 25 Cb -0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2g3a h ASN 25 CO -0.05 1.02 0.16 0.25 -1.65 0.00 0.00 177.43 177.16 2g3a h LEU 26 N 0.77 0.28 -0.95 1.61 5.85 -0.97 0.28 115.31 122.17 2g3a h LEU 26 Ca 0.12 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2g3a h LEU 26 Cb 0.68 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2g3a h LEU 26 CO 0.05 0.20 -0.05 0.00 -0.34 0.00 0.00 178.44 178.30 2g3a h ALA 27 N 1.10 1.13 0.12 1.25 0.00 -1.15 -0.82 119.26 120.89 2g3a h ALA 27 Ca 0.10 -0.27 -0.36 0.00 0.00 0.00 0.00 54.91 54.37 2g3a h ALA 27 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2g3a h ALA 27 CO -0.03 0.55 -1.98 -2.13 0.00 0.00 0.00 179.25 175.66 2g3a n ARG 28 N -4.20 0.76 -0.01 0.00 0.63 -0.61 -4.53 116.66 108.68 2g3a n ARG 28 Ca 0.02 0.26 0.03 0.00 -0.92 0.00 0.00 57.85 57.25 2g3a n ARG 28 Cb 0.32 -1.72 0.04 0.00 0.45 0.00 0.00 32.46 31.55 2g3a n ARG 28 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2g3a n PHE 29 N -3.46 0.04 -1.66 -0.14 3.72 0.97 -5.09 117.46 111.84 2g3a n PHE 29 Ca -0.31 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 2g3a n PHE 29 Cb 1.05 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.58 2g3a n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g3a n GLY 30 N 0.34 -2.18 3.74 1.37 0.00 -0.31 -4.90 105.19 103.24 2g3a n GLY 30 Ca 0.04 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2g3a n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g3a n GLU 31 N -0.68 2.59 0.09 1.61 1.02 -1.26 -4.37 120.64 119.64 2g3a n GLU 31 Ca 0.00 0.92 0.01 0.00 -0.02 0.00 0.00 57.16 58.07 2g3a n GLU 31 Cb 0.01 -2.66 -0.03 0.00 -0.02 0.00 0.00 31.44 28.74 2g3a n GLU 31 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2g3a h SER 32 N 4.13 0.00 -5.28 1.62 4.64 -1.95 -3.45 113.55 113.26 2g3a h SER 32 Ca -0.48 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.45 2g3a h SER 32 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.29 2g3a h SER 32 CO 0.74 0.55 -0.59 0.47 -0.87 0.00 0.00 176.83 177.13 2g3a n ASP 33 N -3.08 -4.40 -4.69 4.97 8.00 -1.26 -0.46 116.55 115.62 2g3a n ASP 33 Ca -0.03 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.65 2g3a n ASP 33 Cb 0.79 -3.60 -0.03 0.00 -0.02 0.00 0.00 41.12 38.26 2g3a n ASP 33 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2g3a n LYS 34 N -3.88 2.79 -3.69 -1.24 4.81 -1.26 -4.53 118.16 111.16 2g3a n LYS 34 Ca -0.03 1.01 -0.13 0.00 -0.87 0.00 0.00 58.31 58.29 2g3a n LYS 34 Cb 0.56 -2.90 -0.13 0.00 0.02 0.00 0.00 35.03 32.57 2g3a n LYS 34 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2g3a s ARG 35 N 2.50 0.16 0.72 1.64 3.52 -0.52 -5.00 118.95 121.97 2g3a s ARG 35 Ca 0.81 0.65 -0.16 0.00 -0.13 0.00 0.00 55.73 56.90 2g3a s ARG 35 Cb -0.49 -0.08 0.03 0.00 -1.56 0.00 0.00 34.95 32.85 2g3a s ARG 35 CO 0.37 -0.24 1.26 -0.25 -0.81 0.00 0.00 175.30 175.62 2g3a n ASP 36 N 4.93 1.65 -3.45 -2.12 8.00 -1.26 -1.33 116.55 122.97 2g3a n ASP 36 Ca -0.13 0.73 -0.20 0.00 0.71 0.00 0.00 54.79 55.90 2g3a n ASP 36 Cb 0.51 -1.54 -0.11 0.00 -0.02 0.00 0.00 41.12 39.96 2g3a n ASP 36 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2g3a s LEU 37 N -4.90 -0.05 0.12 0.64 0.20 -0.41 -4.77 118.68 109.51 2g3a s LEU 37 Ca 0.79 -0.77 0.10 0.00 0.69 0.00 0.00 54.13 54.94 2g3a s LEU 37 Cb -0.34 0.31 -0.04 0.00 -0.43 0.00 0.00 46.19 45.69 2g3a s LEU 37 CO 0.45 -0.39 -0.26 0.20 -0.29 0.00 0.00 176.35 176.06 2g3a s ASN 38 N 2.30 3.15 -0.11 3.68 0.01 -1.26 -0.87 114.94 121.83 2g3a s ASN 38 Ca 0.09 -0.73 -0.01 0.00 -0.71 0.00 0.00 52.86 51.50 2g3a s ASN 38 Cb -0.15 -0.21 0.03 0.00 0.41 0.00 0.00 41.25 41.34 2g3a s ASN 38 CO -0.30 0.16 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.78 2g3a s ILE 39 N -1.07 0.80 -0.12 0.60 1.01 0.03 -4.98 121.20 117.47 2g3a s ILE 39 Ca 0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 2g3a s ILE 39 Cb -0.10 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2g3a s ILE 39 CO 0.05 0.26 0.09 0.42 0.00 0.00 0.00 174.94 175.76 2g3a s THR 40 N 1.79 5.09 -0.30 2.92 -4.23 -1.26 -0.54 115.64 119.11 2g3a s THR 40 Ca 0.04 0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2g3a s THR 40 Cb -0.13 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 2g3a s THR 40 CO -0.07 0.59 0.37 -0.63 -0.54 0.00 0.00 174.62 174.34 2g3a s ILE 41 N -0.79 5.17 -0.06 2.99 1.01 -0.47 -4.96 121.20 124.09 2g3a s ILE 41 Ca 0.13 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.20 2g3a s ILE 41 Cb -0.12 -3.74 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 2g3a s ILE 41 CO 0.03 0.06 -0.20 -0.13 0.00 0.00 0.00 174.94 174.70 2g3a s ARG 42 N 2.06 2.24 0.20 2.79 0.52 -1.26 -0.47 118.95 125.03 2g3a s ARG 42 Ca 0.14 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.60 2g3a s ARG 42 Cb -0.16 -1.84 0.05 0.00 0.52 0.00 0.00 34.95 33.51 2g3a s ARG 42 CO 0.11 0.23 0.25 0.27 0.02 0.00 0.00 175.30 176.18 2g3a n ASN 43 N 3.27 -0.32 0.29 0.23 2.04 -0.65 -4.85 115.26 115.27 2g3a n ASN 43 Ca -0.19 -0.97 0.13 0.00 -0.44 0.00 0.00 54.58 53.11 2g3a n ASN 43 Cb 0.53 -0.20 0.83 0.00 -2.53 0.00 0.00 39.78 38.41 2g3a n ASN 43 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 2g3a h ASP 44 N -0.61 0.00 -0.70 0.53 3.45 -2.01 -1.76 116.42 115.32 2g3a h ASP 44 Ca -0.08 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.16 2g3a h ASP 44 Cb 0.23 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 38.88 2g3a h ASP 44 CO 0.06 0.00 0.25 -0.90 -1.57 0.00 0.00 179.24 177.08 2g3a n ASP 45 N -4.05 4.59 0.00 6.45 5.68 -1.26 -4.95 116.55 123.01 2g3a n ASP 45 Ca -0.03 -3.27 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 2g3a n ASP 45 Cb 0.09 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 2g3a n ASP 45 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 2g3a n ASN 46 N -0.29 -4.12 -4.74 -1.12 5.15 -0.66 -5.00 115.26 104.47 2g3a n ASN 46 Ca 0.40 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.97 2g3a n ASN 46 Cb 1.35 -1.83 -0.04 0.00 -0.53 0.00 0.00 39.78 38.73 2g3a n ASN 46 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2g3a s SER 47 N -2.03 7.19 -0.15 1.20 0.01 -1.26 -4.76 113.70 113.90 2g3a s SER 47 Ca 0.00 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.16 2g3a s SER 47 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2g3a s SER 47 CO 0.00 -0.26 1.21 -0.69 0.41 0.00 0.00 173.24 173.91 2g3a s VAL 48 N -0.38 4.35 -0.50 3.43 1.01 -1.26 -1.64 120.40 125.41 2g3a s VAL 48 Ca 0.49 1.64 0.13 0.00 0.00 0.00 0.00 61.98 64.25 2g3a s VAL 48 Cb -0.31 -4.06 -0.16 0.00 0.00 0.00 0.00 36.38 31.85 2g3a s VAL 48 CO 0.37 -0.11 0.51 0.35 0.00 0.00 0.00 175.10 176.22 2g3a n THR 49 N 5.17 0.00 -3.36 3.92 -2.24 0.38 -5.00 114.28 113.14 2g3a n THR 49 Ca 0.13 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2g3a n THR 49 Cb 0.45 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 2g3a n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g3a n GLY 50 N 1.40 -1.03 0.00 3.38 0.00 -1.23 -4.32 105.19 103.39 2g3a n GLY 50 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2g3a n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g3a n GLY 51 N 0.00 0.84 3.00 -0.02 0.00 0.05 -1.37 105.19 107.70 2g3a n GLY 51 Ca 0.00 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 2g3a n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g3a s LEU 52 N 0.00 1.79 -0.13 0.99 0.20 0.30 -0.71 118.68 121.12 2g3a s LEU 52 Ca 0.00 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.65 2g3a s LEU 52 Cb 0.00 -0.56 0.01 0.00 -0.43 0.00 0.00 46.19 45.21 2g3a s LEU 52 CO 0.00 0.07 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.22 2g3a s VAL 53 N 0.19 2.02 0.00 1.68 1.01 0.31 -0.79 120.40 124.82 2g3a s VAL 53 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2g3a s VAL 53 Cb -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2g3a s VAL 53 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2g3a n GLY 54 N 4.00 2.65 3.48 4.51 0.00 -0.05 0.02 105.19 119.80 2g3a n GLY 54 Ca -0.20 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2g3a n GLY 54 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2g3a s HIS 55 N -3.88 -0.40 -0.07 1.61 -3.43 -0.46 -1.28 115.29 107.38 2g3a s HIS 55 Ca 0.00 0.24 0.01 0.00 -0.80 0.00 0.00 55.06 54.51 2g3a s HIS 55 Cb 0.00 0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 31.67 2g3a s HIS 55 CO 0.00 -0.63 -0.07 0.95 -2.00 0.00 0.00 174.74 173.00 2g3a s THR 56 N -3.29 3.72 -0.22 -5.38 -4.23 -0.44 -0.80 115.64 105.00 2g3a s THR 56 Ca 0.04 -0.47 -0.19 0.00 -1.18 0.00 0.00 61.69 59.89 2g3a s THR 56 Cb -0.01 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.36 2g3a s THR 56 CO -0.10 0.59 0.57 0.00 -0.54 0.00 0.00 174.62 175.15 2g3a s ALA 57 N -0.73 -1.43 -1.45 3.99 0.00 -0.51 -1.43 121.76 120.19 2g3a s ALA 57 Ca 0.11 1.67 -0.11 0.00 0.00 0.00 0.00 51.96 53.64 2g3a s ALA 57 Cb -0.11 -0.98 0.07 0.00 0.00 0.00 0.00 23.12 22.10 2g3a s ALA 57 CO 0.02 -0.28 0.73 0.54 0.00 0.00 0.00 175.76 176.77 2g3a n ARG 58 N 2.96 -4.58 -0.61 0.00 1.74 0.39 -1.89 116.66 114.66 2g3a n ARG 58 Ca -0.15 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 2g3a n ARG 58 Cb 0.56 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.58 2g3a n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3a n GLY 59 N -1.46 0.78 3.10 -0.13 0.00 -1.26 -5.04 105.19 101.18 2g3a n GLY 59 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2g3a n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2g3a s TRP 60 N -2.92 1.30 -0.08 1.61 0.52 -0.79 -3.50 118.94 115.08 2g3a s TRP 60 Ca 0.00 -0.27 -0.26 0.00 0.02 0.00 0.00 56.10 55.58 2g3a s TRP 60 Cb 0.00 -0.85 -0.03 0.00 -1.15 0.00 0.00 33.47 31.44 2g3a s TRP 60 CO 0.00 -0.05 0.85 -1.17 0.02 0.00 0.00 176.95 176.59 2g3a s LEU 61 N -0.22 4.29 -0.19 2.99 2.96 -0.07 -1.42 118.68 127.01 2g3a s LEU 61 Ca 0.03 1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 55.26 2g3a s LEU 61 Cb -0.07 -3.31 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 2g3a s LEU 61 CO -0.00 -0.27 -0.05 -0.47 -1.32 0.00 0.00 176.35 174.24 2g3a s TYR 62 N 1.34 2.95 -0.35 5.38 5.04 0.02 0.20 117.35 131.93 2g3a s TYR 62 Ca 0.43 -0.75 -0.18 0.00 -2.44 0.00 0.00 57.07 54.13 2g3a s TYR 62 Cb -0.18 -2.04 -0.00 0.00 0.35 0.00 0.00 41.96 40.09 2g3a s TYR 62 CO 0.19 -0.39 0.49 0.08 -1.34 0.00 0.00 175.55 174.59 2g3a s VAL 63 N 1.08 5.03 -0.16 3.14 1.01 -0.90 -1.35 120.40 128.25 2g3a s VAL 63 Ca 0.01 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.11 2g3a s VAL 63 Cb -0.15 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 2g3a s VAL 63 CO -0.00 -0.22 0.30 -0.61 0.00 0.00 0.00 175.10 174.57 2g3a h GLN 64 N 8.48 0.13 -4.35 2.72 4.15 -0.75 -3.41 115.11 122.08 2g3a h GLN 64 Ca -0.28 -0.22 -0.29 0.00 0.77 0.00 0.00 58.65 58.63 2g3a h GLN 64 Cb 1.13 0.08 -0.25 0.00 0.21 0.00 0.00 27.48 28.64 2g3a h GLN 64 CO 0.77 1.10 -0.74 -0.51 -1.93 0.00 0.00 178.83 177.52 2g3a s LEU 65 N -7.51 2.11 -0.11 -2.39 1.43 -0.47 -4.98 118.68 106.77 2g3a s LEU 65 Ca -0.26 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.52 2g3a s LEU 65 Cb 0.06 -0.19 0.06 0.00 0.03 0.00 0.00 46.19 46.15 2g3a s LEU 65 CO 0.68 -0.06 0.23 -0.22 0.23 0.00 0.00 176.35 177.21 2g3a s LEU 66 N -0.73 -0.08 -0.06 1.79 0.20 -1.26 -0.53 118.68 118.01 2g3a s LEU 66 Ca -0.04 0.51 0.01 0.00 0.69 0.00 0.00 54.13 55.30 2g3a s LEU 66 Cb -0.05 0.60 0.02 0.00 -0.43 0.00 0.00 46.19 46.33 2g3a s LEU 66 CO -0.00 -0.22 -0.06 0.12 -0.29 0.00 0.00 176.35 175.89 2g3a s PHE 67 N 2.13 1.01 -0.19 5.38 5.36 0.11 -4.99 117.98 126.79 2g3a s PHE 67 Ca -0.01 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 55.55 2g3a s PHE 67 Cb -0.12 -0.86 -0.03 0.00 -0.34 0.00 0.00 43.02 41.67 2g3a s PHE 67 CO -0.08 -0.28 0.00 0.08 -1.46 0.00 0.00 175.22 173.49 2g3a s VAL 68 N 1.11 4.04 0.51 3.12 1.01 -1.26 -0.77 120.40 128.15 2g3a s VAL 68 Ca -0.08 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 2g3a s VAL 68 Cb -0.14 -2.82 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 2g3a s VAL 68 CO -0.01 0.44 1.23 -2.65 0.00 0.00 0.00 175.10 174.10 2g3a n PRO 69 N 4.10 1.59 -0.29 2.72 -0.02 -1.26 -4.86 135.00 136.99 2g3a n PRO 69 Ca -0.17 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 2g3a n PRO 69 Cb 0.52 -2.39 0.25 0.00 -0.02 0.00 0.00 33.50 31.86 2g3a n PRO 69 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2g3a h GLU 70 N 1.47 0.38 -1.88 -0.52 4.81 -1.98 -3.16 114.58 113.70 2g3a h GLU 70 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2g3a h GLU 70 Cb 1.32 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2g3a h GLU 70 CO 0.57 0.25 0.00 0.00 -0.73 0.00 0.00 179.01 179.10 2g3a n ALA 71 N -2.54 1.93 -0.67 2.92 0.00 -1.26 -4.93 120.51 115.95 2g3a n ALA 71 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.68 2g3a n ALA 71 Cb 0.56 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 2g3a n ALA 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2g3a n ARG 73 N 1.38 -1.63 -2.72 0.00 1.74 -1.20 -5.08 116.66 109.14 2g3a n ARG 73 Ca 0.00 1.31 -0.14 0.00 -0.77 0.00 0.00 57.85 58.25 2g3a n ARG 73 Cb 0.12 -1.78 0.02 0.00 -1.02 0.00 0.00 32.46 29.80 2g3a n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3a n GLY 74 N -2.71 -0.09 0.66 -0.13 0.00 -1.26 -4.93 105.19 96.73 2g3a n GLY 74 Ca -0.03 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.79 2g3a n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2g3a n GLN 75 N -2.83 0.00 -1.56 1.61 6.02 -1.26 -5.01 117.38 114.36 2g3a n GLN 75 Ca -0.08 -1.11 -0.15 0.00 -0.01 0.00 0.00 57.00 55.66 2g3a n GLN 75 Cb 0.58 -0.39 -0.05 0.00 1.02 0.00 0.00 30.24 31.40 2g3a n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2g3a n GLY 76 N 0.08 1.25 0.15 1.08 0.00 -1.26 -4.92 105.19 101.57 2g3a n GLY 76 Ca 0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2g3a n GLY 76 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2g3a h ILE 77 N 0.00 1.40 -0.14 -0.61 1.08 -1.97 -1.34 117.51 115.93 2g3a h ILE 77 Ca -0.31 -2.12 -0.00 0.00 -0.39 0.00 0.00 64.86 62.03 2g3a h ILE 77 Cb 1.01 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 37.32 2g3a h ILE 77 CO 0.44 0.63 0.08 0.00 -0.69 0.00 0.00 178.15 178.60 2g3a h ALA 78 N 0.33 0.17 -0.48 1.87 0.00 -1.97 -0.73 119.26 118.46 2g3a h ALA 78 Ca -0.09 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2g3a h ALA 78 Cb 1.40 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2g3a h ALA 78 CO 0.14 -0.30 0.32 -1.35 0.00 0.00 0.00 179.25 178.06 2g3a h PRO 79 N 0.13 0.41 -0.50 0.00 0.11 -1.94 -1.11 132.00 129.11 2g3a h PRO 79 Ca 0.05 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2g3a h PRO 79 Cb 0.05 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 2g3a h PRO 79 CO -0.01 0.27 0.14 -0.22 -0.21 0.00 0.00 178.00 177.98 2g3a h LYS 80 N 0.43 0.78 -0.49 1.05 3.64 -0.65 0.11 116.57 121.44 2g3a h LYS 80 Ca 0.20 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2g3a h LYS 80 Cb 0.27 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2g3a h LYS 80 CO -0.05 0.74 0.24 -0.07 -2.27 0.00 0.00 179.45 178.04 2g3a h LEU 81 N 0.68 0.64 -0.87 5.20 3.38 -0.76 -2.88 115.31 120.70 2g3a h LEU 81 Ca 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2g3a h LEU 81 Cb 0.29 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2g3a h LEU 81 CO -0.00 0.59 0.40 -0.07 0.09 0.00 0.00 178.44 179.44 2g3a h LEU 82 N 0.65 1.11 -1.63 1.67 3.38 -0.95 -1.48 115.31 118.06 2g3a h LEU 82 Ca 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2g3a h LEU 82 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2g3a h LEU 82 CO -0.02 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.44 2g3a n ALA 83 N -2.42 1.68 0.00 1.53 0.00 0.37 -0.80 120.51 120.87 2g3a n ALA 83 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2g3a n ALA 83 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2g3a n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g3a n ALA 85 N 0.66 0.00 -0.14 0.00 0.00 -0.56 -1.33 120.51 119.15 2g3a n ALA 85 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2g3a n ALA 85 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.57 2g3a n ALA 85 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2g3a h GLU 86 N 0.00 0.60 -0.53 0.00 4.81 -1.23 0.32 114.58 118.55 2g3a h GLU 86 Ca 0.00 -0.09 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 2g3a h GLU 86 Cb 0.00 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.20 2g3a h GLU 86 CO 0.00 0.53 0.14 1.49 -0.73 0.00 0.00 179.01 180.44 2g3a h GLU 87 N 0.53 0.28 -0.50 1.92 4.81 -1.46 0.20 114.58 120.35 2g3a h GLU 87 Ca 0.14 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.23 2g3a h GLU 87 Cb 0.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2g3a h GLU 87 CO -0.02 0.18 -0.19 1.49 -0.73 0.00 0.00 179.01 179.74 2g3a h GLU 88 N 0.28 1.02 -0.60 1.92 4.57 -1.75 -1.92 114.58 118.10 2g3a h GLU 88 Ca 0.27 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 57.98 2g3a h GLU 88 Cb 0.35 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 2g3a h GLU 88 CO -0.32 1.11 0.20 0.00 -1.18 0.00 0.00 179.01 178.81 2g3a h ALA 89 N 0.88 0.79 -0.77 2.92 0.00 -0.45 -0.88 119.26 121.75 2g3a h ALA 89 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2g3a h ALA 89 Cb 0.77 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 2g3a h ALA 89 CO 0.06 0.44 0.44 0.00 0.00 0.00 0.00 179.25 180.20 2g3a h ARG 90 N 0.85 1.06 -0.96 0.00 3.08 -0.53 -0.74 114.38 117.14 2g3a h ARG 90 Ca 0.20 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.19 2g3a h ARG 90 Cb 0.27 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2g3a h ARG 90 CO -0.01 0.77 0.63 0.87 -1.07 0.00 0.00 179.97 181.16 2g3a h LYS 91 N 1.06 1.13 0.00 0.04 1.57 -0.87 -0.80 116.57 118.69 2g3a h LYS 91 Ca 0.27 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2g3a h LYS 91 Cb 0.00 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.06 2g3a h LYS 91 CO -0.05 0.75 0.00 0.54 -0.57 0.00 0.00 179.45 180.12 2g3a n ARG 92 N -4.47 0.55 -0.76 3.15 1.74 -0.38 -4.87 116.66 111.62 2g3a n ARG 92 Ca 0.14 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2g3a n ARG 92 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2g3a n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3a n GLY 93 N 0.50 0.53 0.00 -0.13 0.00 -0.31 -5.07 105.19 100.72 2g3a n GLY 93 Ca 0.14 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2g3a n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g3a s GLY 96 N -0.59 1.47 0.09 0.00 0.00 -1.23 -4.66 107.32 102.41 2g3a s GLY 96 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.94 2g3a s GLY 96 CO 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 173.10 173.10 2g3a s ALA 97 N -2.51 1.25 0.14 3.20 0.00 0.15 -0.89 121.76 123.10 2g3a s ALA 97 Ca 0.69 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2g3a s ALA 97 Cb -0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2g3a s ALA 97 CO 0.58 0.09 0.02 1.52 0.00 0.00 0.00 175.76 177.96 2g3a s TYR 98 N -1.86 0.97 0.09 0.00 -0.85 0.13 -0.46 117.35 115.37 2g3a s TYR 98 Ca 0.03 -1.11 -0.24 0.00 -0.52 0.00 0.00 57.07 55.23 2g3a s TYR 98 Cb -0.06 -0.56 0.06 0.00 0.38 0.00 0.00 41.96 41.78 2g3a s TYR 98 CO 0.02 -0.36 0.59 -1.50 -1.52 0.00 0.00 175.55 172.78 2g3a s ILE 99 N -3.85 0.01 0.07 -3.49 2.07 -0.67 -2.12 121.20 113.22 2g3a s ILE 99 Ca 0.22 -0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.33 2g3a s ILE 99 Cb 0.07 -1.01 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 2g3a s ILE 99 CO 0.01 -0.05 0.05 1.51 -1.91 0.00 0.00 174.94 174.55 2g3a s ASP 100 N -2.26 0.35 0.00 4.50 1.47 -1.26 -0.78 116.67 118.69 2g3a s ASP 100 Ca -0.03 -0.92 0.00 0.00 1.18 0.00 0.00 52.55 52.78 2g3a s ASP 100 Cb -0.00 0.26 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 2g3a s ASP 100 CO -0.06 -0.66 0.00 1.07 0.68 0.00 0.00 175.17 176.20 2g3a n THR 101 N 0.03 0.00 -1.98 2.11 5.66 -0.53 -4.98 114.28 114.59 2g3a n THR 101 Ca -0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 2g3a n THR 101 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2g3a n THR 101 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2g3a n ASN 103 N -0.25 -4.97 0.25 1.09 2.85 -1.26 -0.98 115.26 112.00 2g3a n ASN 103 Ca 0.00 1.33 0.09 0.00 -0.11 0.00 0.00 54.58 55.89 2g3a n ASN 103 Cb 0.00 -3.48 0.67 0.00 1.24 0.00 0.00 39.78 38.21 2g3a n ASN 103 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2g3a h PRO 104 N 3.95 0.00 -0.00 1.20 0.11 -1.99 0.07 132.00 135.34 2g3a h PRO 104 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 2g3a h PRO 104 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 2g3a h PRO 104 CO 0.00 0.00 -0.98 -0.44 -0.21 0.00 0.00 178.00 176.37 2g3a h ASP 105 N 0.00 0.71 -0.55 -2.05 3.32 -2.03 -2.19 116.42 113.62 2g3a h ASP 105 Ca 0.01 -0.56 -0.06 0.00 0.02 0.00 0.00 57.03 56.44 2g3a h ASP 105 Cb 0.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2g3a h ASP 105 CO -0.00 1.36 0.11 0.00 -1.72 0.00 0.00 179.24 178.99 2g3a h ALA 106 N 0.59 0.73 -0.42 3.45 0.00 -1.81 -2.12 119.26 119.68 2g3a h ALA 106 Ca -0.10 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.62 2g3a h ALA 106 Cb 1.62 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 2g3a h ALA 106 CO 0.18 0.45 0.16 1.25 0.00 0.00 0.00 179.25 181.29 2g3a h LEU 107 N 0.79 0.19 -0.65 0.00 5.85 -0.97 -0.15 115.31 120.36 2g3a h LEU 107 Ca 0.17 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2g3a h LEU 107 Cb 0.38 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2g3a h LEU 107 CO 0.01 0.14 0.34 0.03 -0.34 0.00 0.00 178.44 178.62 2g3a h ARG 108 N 0.33 0.92 -0.47 1.25 3.08 -1.34 -0.46 114.38 117.69 2g3a h ARG 108 Ca 0.19 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.16 2g3a h ARG 108 Cb 0.17 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2g3a h ARG 108 CO -0.19 0.71 0.24 1.15 -1.07 0.00 0.00 179.97 180.81 2g3a h THR 109 N 0.89 0.97 -0.53 2.04 2.02 -0.92 -0.93 112.91 116.46 2g3a h THR 109 Ca 0.23 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 2g3a h THR 109 Cb 0.07 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2g3a h THR 109 CO -0.03 0.09 -0.08 1.88 0.37 0.00 0.00 175.52 177.74 2g3a h TYR 110 N 0.48 1.10 -0.49 3.16 0.05 -0.69 -1.33 116.97 119.24 2g3a h TYR 110 Ca 0.20 -0.22 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 2g3a h TYR 110 Cb 0.10 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 2g3a h TYR 110 CO -0.10 1.02 0.08 0.93 -1.05 0.00 0.00 178.16 179.04 2g3a h GLU 111 N 0.86 0.82 -0.66 4.88 5.08 -0.89 -1.30 114.58 123.38 2g3a h GLU 111 Ca 0.14 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2g3a h GLU 111 Cb 0.64 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2g3a h GLU 111 CO 0.04 0.82 0.44 0.00 -1.00 0.00 0.00 179.01 179.31 2g3a h ARG 112 N 0.69 0.87 -0.62 2.33 3.08 -1.02 -2.37 114.38 117.34 2g3a h ARG 112 Ca 0.15 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.25 2g3a h ARG 112 Cb 0.40 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2g3a h ARG 112 CO 0.01 0.58 0.41 -0.92 -1.07 0.00 0.00 179.97 178.98 2g3a h TYR 113 N 0.89 0.43 0.00 3.04 3.20 -1.06 -3.46 116.97 120.01 2g3a h TYR 113 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2g3a h TYR 113 Cb -0.10 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2g3a h TYR 113 CO -0.03 0.20 0.00 0.41 -1.64 0.00 0.00 178.16 177.10 2g3a n GLY 114 N -1.52 0.08 3.78 1.82 0.00 -0.89 -5.10 105.19 103.36 2g3a n GLY 114 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2g3a n GLY 114 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2g3a s PHE 115 N -1.06 2.81 -0.03 1.61 0.08 -0.54 -4.74 117.98 116.11 2g3a s PHE 115 Ca 0.00 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.63 2g3a s PHE 115 Cb 0.00 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.29 2g3a s PHE 115 CO 0.00 -1.31 -0.11 -0.08 -0.10 0.00 0.00 175.22 173.62 2g3a s THR 116 N -2.05 0.90 0.34 0.64 -1.32 0.63 -4.29 115.64 110.48 2g3a s THR 116 Ca 0.69 -0.43 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 2g3a s THR 116 Cb -0.20 -0.79 -0.11 0.00 -1.51 0.00 0.00 72.50 69.90 2g3a s THR 116 CO 0.29 0.27 1.42 -0.54 -2.21 0.00 0.00 174.62 173.86 2g3a s LYS 117 N 0.12 4.22 -0.00 7.08 1.02 -1.26 -0.54 119.74 130.38 2g3a s LYS 117 Ca -0.02 2.40 0.05 0.00 0.02 0.00 0.00 55.97 58.42 2g3a s LYS 117 Cb -0.09 -3.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 2g3a s LYS 117 CO 0.01 -0.39 0.16 0.44 -0.92 0.00 0.00 175.35 174.64 2g3a n ILE 118 N 0.95 0.00 0.00 2.17 -5.35 0.13 -4.83 119.36 112.42 2g3a n ILE 118 Ca 0.02 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2g3a n ILE 118 Cb 0.40 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 2g3a n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2g3a n GLY 119 N 1.78 0.29 3.55 3.28 0.00 -1.18 -4.99 105.19 107.91 2g3a n GLY 119 Ca -0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2g3a n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g3a s SER 120 N 0.00 -0.40 0.08 1.61 1.04 -1.26 -1.06 113.70 113.71 2g3a s SER 120 Ca 0.00 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.07 2g3a s SER 120 Cb 0.00 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 2g3a s SER 120 CO 0.00 -1.08 0.15 -1.48 0.98 0.00 0.00 173.24 171.82 2g3a s LEU 121 N -2.82 1.58 0.00 2.42 0.05 -0.35 -4.99 118.68 114.57 2g3a s LEU 121 Ca 0.06 -0.66 0.00 0.00 0.05 0.00 0.00 54.13 53.57 2g3a s LEU 121 Cb -0.02 0.89 0.00 0.00 -2.05 0.00 0.00 46.19 45.01 2g3a s LEU 121 CO -0.06 -0.68 0.00 0.61 -0.55 0.00 0.00 176.35 175.67 2g3a n GLY 122 N 0.08 -0.20 3.84 -3.48 0.00 -1.26 -1.19 105.19 102.98 2g3a n GLY 122 Ca -0.15 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 2g3a n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g3a s PRO 123 N -1.70 3.87 0.94 1.61 0.04 -1.26 -5.07 135.00 133.42 2g3a s PRO 123 Ca 0.00 0.96 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 2g3a s PRO 123 Cb 0.00 -2.12 0.15 0.00 0.04 0.00 0.00 34.50 32.57 2g3a s PRO 123 CO 0.00 -0.34 1.09 -0.51 0.04 0.00 0.00 177.00 177.28 2g3a s LEU 124 N -4.21 2.05 0.59 -3.56 1.43 0.94 -4.89 118.68 111.04 2g3a s LEU 124 Ca 0.59 1.50 0.31 0.00 -1.03 0.00 0.00 54.13 55.50 2g3a s LEU 124 Cb -0.10 -3.83 1.87 0.00 0.03 0.00 0.00 46.19 44.16 2g3a s LEU 124 CO 0.34 -2.91 2.26 0.28 0.23 0.00 0.00 176.35 176.55 2g3a h SER 125 N -1.73 0.00 0.08 2.29 0.02 -2.03 0.15 113.55 112.33 2g3a h SER 125 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 2g3a h SER 125 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2g3a h SER 125 CO 0.54 0.01 -0.14 -1.54 -1.14 0.00 0.00 176.83 174.56 2g3a n SER 126 N -3.73 1.54 0.00 3.07 3.41 -1.26 -4.97 113.62 111.68 2g3a n SER 126 Ca -0.03 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2g3a n SER 126 Cb 0.09 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2g3a n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2g3a n GLY 127 N 1.28 0.62 3.93 5.00 0.00 0.53 -5.09 105.19 111.46 2g3a n GLY 127 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2g3a n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2g3a s GLN 128 N -0.90 1.43 0.26 1.61 1.11 -1.26 -4.64 119.66 117.26 2g3a s GLN 128 Ca 0.00 -0.33 0.12 0.00 0.01 0.00 0.00 55.36 55.16 2g3a s GLN 128 Cb 0.00 -2.00 -0.05 0.00 -1.01 0.00 0.00 33.01 29.95 2g3a s GLN 128 CO 0.00 -1.85 -0.20 -1.12 0.01 0.00 0.00 175.29 172.13 2g3a s SER 129 N -4.72 3.59 -0.13 5.90 0.01 -1.26 -0.04 113.70 117.05 2g3a s SER 129 Ca 0.67 -0.98 -0.13 0.00 1.31 0.00 0.00 55.95 56.82 2g3a s SER 129 Cb -0.07 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 2g3a s SER 129 CO 0.49 0.06 0.29 -0.63 0.41 0.00 0.00 173.24 173.86 2g3a s ILE 130 N -2.31 5.29 -0.04 1.44 1.01 -0.33 -4.62 121.20 121.63 2g3a s ILE 130 Ca 0.28 0.54 0.05 0.00 0.00 0.00 0.00 60.65 61.52 2g3a s ILE 130 Cb -0.06 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 2g3a s ILE 130 CO 0.14 0.46 -0.19 -0.89 0.00 0.00 0.00 174.94 174.46 2g3a s THR 131 N -0.04 1.60 -0.06 2.92 2.01 -0.15 -1.21 115.64 120.70 2g3a s THR 131 Ca 0.17 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 2g3a s THR 131 Cb -0.13 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2g3a s THR 131 CO 0.05 0.45 0.01 0.26 -0.69 0.00 0.00 174.62 174.71 2g3a s TRP 132 N -0.08 3.15 0.07 4.92 0.51 -0.22 -1.45 118.94 125.84 2g3a s TRP 132 Ca -0.02 0.17 0.03 0.00 -2.12 0.00 0.00 56.10 54.16 2g3a s TRP 132 Cb -0.11 -1.76 -0.03 0.00 -0.81 0.00 0.00 33.47 30.76 2g3a s TRP 132 CO 0.02 0.48 -0.08 -0.51 -0.51 0.00 0.00 176.95 176.34 2g3a s LEU 133 N -1.10 2.34 0.23 2.99 1.02 0.04 0.18 118.68 124.39 2g3a s LEU 133 Ca 0.15 -0.71 0.09 0.00 0.02 0.00 0.00 54.13 53.69 2g3a s LEU 133 Cb -0.11 -0.19 -0.05 0.00 0.02 0.00 0.00 46.19 45.86 2g3a s LEU 133 CO 0.05 -0.27 -0.16 -1.83 0.02 0.00 0.00 176.35 174.16 2g3a s GLU 134 N -2.32 1.45 -0.15 1.70 -1.05 0.30 -1.68 118.70 116.94 2g3a s GLU 134 Ca -0.02 -1.66 -0.04 0.00 -0.15 0.00 0.00 54.97 53.10 2g3a s GLU 134 Cb -0.05 -1.33 0.06 0.00 -0.44 0.00 0.00 34.13 32.37 2g3a s GLU 134 CO -0.01 0.23 0.11 0.21 0.95 0.00 0.00 175.26 176.75 2g3a s LYS 135 N -3.60 0.06 0.01 -4.83 2.20 0.39 -0.27 119.74 113.70 2g3a s LYS 135 Ca 0.25 0.07 -0.20 0.00 -0.36 0.00 0.00 55.97 55.73 2g3a s LYS 135 Cb -0.02 -1.44 -0.06 0.00 -1.51 0.00 0.00 37.83 34.81 2g3a s LYS 135 CO 0.10 -0.60 0.59 1.03 -0.36 0.00 0.00 175.35 176.11 2g3a s ARG 136 N 2.19 4.29 0.00 4.03 0.52 -1.26 0.33 118.95 129.05 2g3a s ARG 136 Ca 0.03 0.74 0.31 0.00 -0.52 0.00 0.00 55.73 56.30 2g3a s ARG 136 Cb -0.15 -3.32 1.76 0.00 0.52 0.00 0.00 34.95 33.76 2g3a s ARG 136 CO -0.08 0.43 2.15 1.19 0.02 0.00 0.00 175.30 179.00