#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g3b h GLU 3 N 0.00 0.56 0.21 -1.46 4.81 -2.05 -2.07 114.58 114.57 2g3b h GLU 3 Ca 0.00 -0.03 -0.32 0.00 -0.13 0.00 0.00 59.36 58.88 2g3b h GLU 3 Cb 0.00 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.28 2g3b h GLU 3 CO 0.00 0.37 -1.45 0.00 -0.73 0.00 0.00 179.01 177.20 2g3b h ARG 4 N 0.57 0.44 -0.27 1.92 3.08 -1.99 -2.43 114.38 115.71 2g3b h ARG 4 Ca 0.22 -0.75 0.03 0.00 0.07 0.00 0.00 59.98 59.54 2g3b h ARG 4 Cb 0.15 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2g3b h ARG 4 CO -0.06 1.35 0.09 0.00 -1.07 0.00 0.00 179.97 180.28 2g3b h ARG 5 N 0.12 0.20 -0.81 0.04 3.08 -1.99 -1.26 114.38 113.76 2g3b h ARG 5 Ca -0.23 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.88 2g3b h ARG 5 Cb 2.11 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 32.05 2g3b h ARG 5 CO 0.24 0.13 0.48 0.22 -1.07 0.00 0.00 179.97 179.98 2g3b h ASP 6 N 0.21 0.73 -0.74 7.04 3.58 -1.42 -1.20 116.42 124.61 2g3b h ASP 6 Ca 0.12 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 2g3b h ASP 6 Cb 0.09 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 2g3b h ASP 6 CO -0.13 0.45 0.26 0.00 -2.88 0.00 0.00 179.24 176.95 2g3b h ALA 7 N 1.41 0.96 -0.33 -0.78 0.00 -1.16 -0.18 119.26 119.18 2g3b h ALA 7 Ca 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2g3b h ALA 7 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2g3b h ALA 7 CO -0.20 0.62 0.14 0.82 0.00 0.00 0.00 179.25 180.63 2g3b h ILE 8 N 1.08 1.18 -0.24 0.00 2.04 -0.62 -2.01 117.51 118.94 2g3b h ILE 8 Ca 0.24 -0.52 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 2g3b h ILE 8 Cb 0.26 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2g3b h ILE 8 CO -0.01 0.19 -0.38 -0.07 0.00 0.00 0.00 178.15 177.87 2g3b h LEU 9 N 0.40 0.75 -0.51 1.44 3.38 -1.07 0.30 115.31 119.99 2g3b h LEU 9 Ca 0.11 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.62 2g3b h LEU 9 Cb 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2g3b h LEU 9 CO -0.01 1.13 0.23 0.50 0.09 0.00 0.00 178.44 180.38 2g3b h LYS 10 N 0.39 0.44 -0.23 1.13 3.64 -1.02 0.20 116.57 121.12 2g3b h LYS 10 Ca 0.02 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2g3b h LYS 10 Cb 0.98 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2g3b h LYS 10 CO 0.09 0.29 -0.19 0.00 -2.27 0.00 0.00 179.45 177.37 2g3b h ALA 11 N 1.30 1.24 -0.25 5.00 0.00 -1.19 -2.66 119.26 122.70 2g3b h ALA 11 Ca 0.24 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2g3b h ALA 11 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2g3b h ALA 11 CO -0.20 0.50 -0.07 0.77 0.00 0.00 0.00 179.25 180.25 2g3b h SER 12 N 0.38 0.49 -0.57 0.00 0.02 0.08 -2.02 113.55 111.93 2g3b h SER 12 Ca 0.06 -0.37 0.10 0.00 -0.84 0.00 0.00 61.79 60.74 2g3b h SER 12 Cb 0.55 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.88 2g3b h SER 12 CO 0.04 0.75 0.16 0.00 -1.14 0.00 0.00 176.83 176.64 2g3b h ALA 13 N 0.75 0.69 -0.25 3.77 0.00 -0.56 -0.20 119.26 123.47 2g3b h ALA 13 Ca 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2g3b h ALA 13 Cb 0.54 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2g3b h ALA 13 CO 0.03 -0.27 0.13 1.15 0.00 0.00 0.00 179.25 180.29 2g3b h THR 14 N 0.31 1.13 -0.35 0.00 2.02 -1.40 -0.20 112.91 114.42 2g3b h THR 14 Ca 0.29 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 67.13 2g3b h THR 14 Cb 0.40 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 2g3b h THR 14 CO -0.34 0.13 0.14 0.00 0.37 0.00 0.00 175.52 175.82 2g3b h ALA 15 N 0.99 0.41 -0.11 6.16 0.00 -1.15 -1.05 119.26 124.51 2g3b h ALA 15 Ca 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2g3b h ALA 15 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2g3b h ALA 15 CO -0.01 -0.25 0.07 0.82 0.00 0.00 0.00 179.25 179.87 2g3b h ILE 16 N 0.29 1.07 -0.96 0.00 2.04 -0.96 0.07 117.51 119.07 2g3b h ILE 16 Ca 0.16 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2g3b h ILE 16 Cb 0.12 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 2g3b h ILE 16 CO -0.15 0.07 0.62 0.00 0.00 0.00 0.00 178.15 178.69 2g3b h ALA 17 N 0.98 1.48 0.04 1.87 0.00 -0.79 -1.12 119.26 121.73 2g3b h ALA 17 Ca 0.04 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 2g3b h ALA 17 Cb 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2g3b h ALA 17 CO -0.01 0.36 -2.03 1.04 0.00 0.00 0.00 179.25 178.61 2g3b n GLN 18 N -4.51 0.68 0.00 0.00 1.13 -0.42 -4.58 117.38 109.69 2g3b n GLN 18 Ca 0.15 0.21 0.00 0.00 -1.94 0.00 0.00 57.00 55.42 2g3b n GLN 18 Cb 0.22 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.89 2g3b n GLN 18 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2g3b n ARG 19 N -3.15 2.97 -0.48 -1.09 1.74 -0.00 -5.09 116.66 111.55 2g3b n ARG 19 Ca -0.28 -0.15 0.07 0.00 -0.77 0.00 0.00 57.85 56.71 2g3b n ARG 19 Cb 1.06 -0.57 -0.02 0.00 -1.02 0.00 0.00 32.46 31.91 2g3b n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g3b n GLY 20 N 0.47 -1.59 0.33 -0.13 0.00 -0.42 -2.48 105.19 101.36 2g3b n GLY 20 Ca 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 44.67 2g3b n GLY 20 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2g3b h ILE 21 N -0.45 0.85 0.00 -0.61 1.08 -1.87 -1.55 117.51 114.97 2g3b h ILE 21 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2g3b h ILE 21 Cb 0.44 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 2g3b h ILE 21 CO 0.01 0.15 0.00 0.08 -0.69 0.00 0.00 178.15 177.69 2g3b h ARG 22 N 0.81 0.00 -0.01 2.37 0.11 -1.97 -2.99 114.38 112.69 2g3b h ARG 22 Ca 0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.54 2g3b h ARG 22 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 2g3b h ARG 22 CO -0.29 0.00 -0.47 0.41 0.10 0.00 0.00 179.97 179.72 2g3b n GLY 23 N -0.10 -0.51 3.65 0.08 0.00 -0.61 -4.82 105.19 102.87 2g3b n GLY 23 Ca 0.00 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2g3b n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g3b s LEU 24 N -2.62 4.02 -0.07 0.99 2.96 -1.02 -4.91 118.68 118.02 2g3b s LEU 24 Ca 0.18 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 2g3b s LEU 24 Cb 0.18 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.34 2g3b s LEU 24 CO 0.61 -0.87 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.47 2g3b s ARG 25 N 3.68 2.15 0.26 1.98 0.52 -1.26 -5.03 118.95 121.25 2g3b s ARG 25 Ca 0.51 -0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 55.12 2g3b s ARG 25 Cb -0.17 -1.72 0.55 0.00 0.52 0.00 0.00 34.95 34.13 2g3b s ARG 25 CO 0.16 0.10 1.72 0.28 0.02 0.00 0.00 175.30 177.58 2g3b h VAL 26 N 5.80 0.61 -0.64 3.52 2.07 -1.99 -0.42 116.25 125.20 2g3b h VAL 26 Ca -0.27 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 2g3b h VAL 26 Cb 1.20 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2g3b h VAL 26 CO 0.47 0.08 0.10 0.78 0.02 0.00 0.00 177.57 179.03 2g3b h ASN 27 N 0.45 1.01 -0.09 0.57 4.21 -1.98 0.21 115.58 119.96 2g3b h ASN 27 Ca 0.46 -0.23 -0.06 0.00 1.21 0.00 0.00 56.30 57.68 2g3b h ASN 27 Cb 0.76 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 2g3b h ASN 27 CO -0.44 1.00 -0.16 0.44 -1.29 0.00 0.00 177.43 176.98 2g3b h ASP 28 N 0.99 0.29 -0.08 5.81 3.32 -1.82 -0.72 116.42 124.21 2g3b h ASP 28 Ca 0.20 -0.56 0.04 0.00 0.02 0.00 0.00 57.03 56.73 2g3b h ASP 28 Cb 0.42 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 2g3b h ASP 28 CO 0.01 0.79 -0.22 0.58 -1.72 0.00 0.00 179.24 178.68 2g3b h VAL 29 N -0.20 0.47 -0.65 -1.35 2.07 -1.01 0.39 116.25 115.97 2g3b h VAL 29 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 2g3b h VAL 29 Cb 0.74 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2g3b h VAL 29 CO 0.04 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.05 2g3b h ALA 30 N 0.63 0.83 -0.12 1.67 0.00 -0.62 0.96 119.26 122.61 2g3b h ALA 30 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2g3b h ALA 30 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2g3b h ALA 30 CO -0.26 0.23 0.07 0.93 0.00 0.00 0.00 179.25 180.23 2g3b h GLU 31 N 0.86 0.15 -1.01 0.00 5.08 -0.59 -0.17 114.58 118.91 2g3b h GLU 31 Ca 0.24 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.74 2g3b h GLU 31 Cb -0.07 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.05 2g3b h GLU 31 CO -0.06 0.10 0.63 0.28 -1.00 0.00 0.00 179.01 178.95 2g3b h VAL 32 N 0.15 0.85 -0.00 3.13 2.07 0.21 -1.50 116.25 121.15 2g3b h VAL 32 Ca 0.05 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2g3b h VAL 32 Cb -0.01 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.60 2g3b h VAL 32 CO -0.02 0.17 -0.11 0.00 0.02 0.00 0.00 177.57 177.63 2g3b n ALA 33 N -2.34 2.74 -2.03 1.67 0.00 0.29 -4.88 120.51 115.97 2g3b n ALA 33 Ca 0.20 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.32 2g3b n ALA 33 Cb 0.43 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 2g3b n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g3b n GLY 34 N 1.30 0.17 3.52 0.00 0.00 -0.57 -4.79 105.19 104.81 2g3b n GLY 34 Ca 0.14 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 2g3b n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2g3b s VAL 35 N -2.38 0.71 0.20 1.61 -7.23 -0.18 -5.04 120.40 108.10 2g3b s VAL 35 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 2g3b s VAL 35 Cb 0.00 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.47 2g3b s VAL 35 CO 0.00 0.00 0.51 -0.94 -0.31 0.00 0.00 175.10 174.36 2g3b s SER 36 N -3.60 6.62 0.32 4.85 1.04 -1.26 -4.06 113.70 117.61 2g3b s SER 36 Ca 0.25 0.88 0.09 0.00 0.48 0.00 0.00 55.95 57.65 2g3b s SER 36 Cb 0.03 -2.21 0.91 0.00 0.10 0.00 0.00 66.02 64.86 2g3b s SER 36 CO 0.14 -0.02 1.69 -0.65 0.98 0.00 0.00 173.24 175.37 2g3b h PRO 37 N 2.75 0.39 -0.21 4.02 0.11 -1.91 -1.76 132.00 135.39 2g3b h PRO 37 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2g3b h PRO 37 Cb 1.17 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2g3b h PRO 37 CO 0.69 0.26 -0.04 0.78 -0.21 0.00 0.00 178.00 179.48 2g3b h GLY 38 N 0.40 0.34 1.23 -0.55 0.00 -1.99 -1.36 103.07 101.14 2g3b h GLY 38 Ca 0.65 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 2g3b h GLY 38 CO -0.56 0.18 -0.33 -2.00 0.00 0.00 0.00 176.54 173.83 2g3b h LEU 39 N 0.31 0.90 -0.45 3.11 5.85 -1.72 0.36 115.31 123.67 2g3b h LEU 39 Ca 0.07 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2g3b h LEU 39 Cb 0.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2g3b h LEU 39 CO 0.01 1.14 0.24 0.25 -0.34 0.00 0.00 178.44 179.74 2g3b h LEU 40 N 0.71 0.56 -0.88 2.25 6.46 -1.08 -1.50 115.31 121.84 2g3b h LEU 40 Ca 0.07 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.64 2g3b h LEU 40 Cb 0.89 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 2g3b h LEU 40 CO 0.08 0.50 -0.21 1.88 -0.62 0.00 0.00 178.44 180.07 2g3b h TYR 41 N 0.58 0.67 -0.54 1.25 0.05 -1.18 0.17 116.97 117.97 2g3b h TYR 41 Ca 0.16 -0.14 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2g3b h TYR 41 Cb 0.07 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.59 2g3b h TYR 41 CO -0.02 0.76 0.26 -0.92 -1.05 0.00 0.00 178.16 177.19 2g3b h TYR 42 N 0.53 0.48 0.08 4.88 3.20 -0.60 0.21 116.97 125.75 2g3b h TYR 42 Ca 0.08 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.72 2g3b h TYR 42 Cb 0.65 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2g3b h TYR 42 CO 0.03 0.22 -1.21 0.45 -1.64 0.00 0.00 178.16 176.00 2g3b h HIS 43 N 0.50 0.33 -0.00 -3.82 3.86 -0.96 -3.39 115.15 111.66 2g3b h HIS 43 Ca 0.24 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2g3b h HIS 43 Cb 0.17 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2g3b h HIS 43 CO -0.11 1.20 -0.04 1.19 0.86 0.00 0.00 177.93 181.02 2g3b n PHE 44 N -3.45 0.00 0.00 2.45 3.01 0.02 -5.03 117.46 114.45 2g3b n PHE 44 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2g3b n PHE 44 Cb 1.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.47 2g3b n PHE 44 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2g3b n LYS 45 N -0.70 0.00 -3.81 -1.08 4.81 0.73 -3.76 118.16 114.35 2g3b n LYS 45 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.36 2g3b n LYS 45 Cb 0.03 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.10 2g3b n LYS 45 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2g3b s ASP 46 N 0.00 -0.00 0.16 3.14 1.47 -1.26 -4.81 116.67 115.37 2g3b s ASP 46 Ca 0.00 -1.12 -0.16 0.00 1.18 0.00 0.00 52.55 52.46 2g3b s ASP 46 Cb 0.00 0.84 0.03 0.00 -0.34 0.00 0.00 42.92 43.45 2g3b s ASP 46 CO 0.00 -1.66 1.82 -0.09 0.68 0.00 0.00 175.17 175.92 2g3b h ARG 47 N 2.00 0.56 -0.64 2.11 2.43 -2.00 -0.46 114.38 118.39 2g3b h ARG 47 Ca -0.32 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.74 2g3b h ARG 47 Cb 1.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2g3b h ARG 47 CO 0.40 0.37 0.08 0.97 -1.51 0.00 0.00 179.97 180.28 2g3b h ILE 48 N 0.58 1.26 -0.98 1.20 6.09 -1.97 -1.51 117.51 122.17 2g3b h ILE 48 Ca 0.16 -1.06 0.02 0.00 -1.37 0.00 0.00 64.86 62.62 2g3b h ILE 48 Cb -0.06 0.69 -0.05 0.00 0.47 0.00 0.00 36.82 37.87 2g3b h ILE 48 CO -0.04 0.39 0.65 1.23 -3.07 0.00 0.00 178.15 177.31 2g3b h GLY 49 N 1.03 1.41 0.88 8.18 0.00 -1.59 -0.24 103.07 112.75 2g3b h GLY 49 Ca 0.19 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 47.04 2g3b h GLY 49 CO 0.02 0.46 0.18 -2.00 0.00 0.00 0.00 176.54 175.20 2g3b h LEU 50 N 1.28 0.29 -0.23 3.11 5.85 -0.71 -1.45 115.31 123.44 2g3b h LEU 50 Ca 0.38 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 59.00 2g3b h LEU 50 Cb -0.07 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 2g3b h LEU 50 CO -0.10 0.21 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.87 2g3b h LEU 51 N 0.38 0.64 -0.34 2.25 3.38 -0.84 0.14 115.31 120.92 2g3b h LEU 51 Ca 0.14 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2g3b h LEU 51 Cb 0.03 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2g3b h LEU 51 CO -0.08 1.00 -0.13 -0.08 0.09 0.00 0.00 178.44 179.24 2g3b h GLU 52 N 0.29 -0.07 -0.26 1.13 4.81 -1.02 0.39 114.58 119.86 2g3b h GLU 52 Ca 0.03 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 2g3b h GLU 52 Cb 0.83 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2g3b h GLU 52 CO 0.06 -0.04 -0.11 0.00 -0.73 0.00 0.00 179.01 178.19 2g3b h ALA 53 N 1.22 1.33 -0.33 2.92 0.00 -0.93 -2.35 119.26 121.13 2g3b h ALA 53 Ca 0.17 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2g3b h ALA 53 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2g3b h ALA 53 CO -0.39 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.10 2g3b h ALA 54 N 1.49 0.48 -0.49 0.00 0.00 0.12 -0.15 119.26 120.70 2g3b h ALA 54 Ca 0.08 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.72 2g3b h ALA 54 Cb 0.44 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 2g3b h ALA 54 CO 0.02 0.44 -0.11 -0.07 0.00 0.00 0.00 179.25 179.53 2g3b h LEU 55 N 0.51 -0.44 -0.54 0.00 3.38 -0.00 -1.48 115.31 116.73 2g3b h LEU 55 Ca 0.07 0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 2g3b h LEU 55 Cb 0.77 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2g3b h LEU 55 CO 0.06 -0.16 -0.25 0.78 0.09 0.00 0.00 178.44 178.97 2g3b h ASN 56 N 0.01 0.95 -0.21 -0.43 2.35 -1.15 -1.80 115.58 115.29 2g3b h ASN 56 Ca 0.24 -0.37 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2g3b h ASN 56 Cb 0.36 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 2g3b h ASN 56 CO -0.50 1.14 -0.12 0.22 -1.65 0.00 0.00 177.43 176.52 2g3b h TYR 57 N 0.79 -0.30 -0.65 1.19 3.20 -0.77 0.19 116.97 120.61 2g3b h TYR 57 Ca 0.10 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.00 2g3b h TYR 57 Cb 0.81 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.21 2g3b h TYR 57 CO 0.05 -0.19 0.43 0.82 -1.64 0.00 0.00 178.16 177.64 2g3b h ILE 58 N -0.11 1.16 -0.37 1.81 2.04 -1.13 0.12 117.51 121.03 2g3b h ILE 58 Ca 0.12 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 2g3b h ILE 58 Cb 0.29 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2g3b h ILE 58 CO -0.28 0.16 0.08 -1.13 0.00 0.00 0.00 178.15 176.98 2g3b h ASN 59 N 0.88 0.57 -0.66 1.72 -1.24 -1.01 0.14 115.58 115.98 2g3b h ASN 59 Ca 0.24 -0.24 0.06 0.00 0.71 0.00 0.00 56.30 57.07 2g3b h ASN 59 Cb -0.09 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 38.75 2g3b h ASN 59 CO -0.06 0.66 0.36 0.44 -1.29 0.00 0.00 177.43 177.55 2g3b h ASP 60 N 0.45 0.54 -0.51 1.15 3.32 -0.29 0.14 116.42 121.21 2g3b h ASP 60 Ca 0.11 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2g3b h ASP 60 Cb 0.32 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2g3b h ASP 60 CO 0.00 0.35 0.28 -0.09 -1.72 0.00 0.00 179.24 178.06 2g3b h ARG 61 N 0.67 0.71 -0.39 3.56 2.43 -0.46 -2.77 114.38 118.14 2g3b h ARG 61 Ca 0.30 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2g3b h ARG 61 Cb 0.19 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2g3b h ARG 61 CO -0.18 0.56 0.10 0.00 -1.51 0.00 0.00 179.97 178.94 2g3b h ALA 62 N 1.11 0.51 -0.79 2.80 0.00 -0.41 -2.83 119.26 119.65 2g3b h ALA 62 Ca 0.18 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.07 2g3b h ALA 62 Cb 0.06 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.59 2g3b h ALA 62 CO -0.03 0.17 0.31 -0.09 0.00 0.00 0.00 179.25 179.62 2g3b h ARG 63 N 0.48 0.41 -0.97 0.00 2.43 -0.68 0.18 114.38 116.23 2g3b h ARG 63 Ca 0.12 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.38 2g3b h ARG 63 Cb 0.30 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 2g3b h ARG 63 CO 0.00 0.27 0.60 0.00 -1.51 0.00 0.00 179.97 179.33 2g3b h ALA 64 N 1.60 1.43 0.00 2.80 0.00 -1.24 -1.69 119.26 122.15 2g3b h ALA 64 Ca 0.45 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 2g3b h ALA 64 Cb 0.74 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2g3b h ALA 64 CO -0.45 0.23 -0.64 1.88 0.00 0.00 0.00 179.25 180.27 2g3b h TYR 65 N 0.98 0.00 0.00 0.00 -1.99 -1.04 -2.44 116.97 112.48 2g3b h TYR 65 Ca 0.47 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 61.14 2g3b h TYR 65 Cb 0.42 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.14 2g3b h TYR 65 CO -0.02 0.64 -0.26 0.00 -0.00 0.00 0.00 178.16 178.52 2g3b h ARG 66 N 0.00 0.00 -0.10 4.88 3.08 0.14 -3.16 114.38 119.21 2g3b h ARG 66 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2g3b h ARG 66 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 2g3b h ARG 66 CO 0.08 0.26 0.00 -1.13 -1.07 0.00 0.00 179.97 178.12 2g3b n SER 67 N -3.67 2.12 -4.68 7.04 3.41 -0.73 -2.90 113.62 114.20 2g3b n SER 67 Ca -0.01 -1.59 -0.48 0.00 -0.26 0.00 0.00 58.87 56.53 2g3b n SER 67 Cb 0.38 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.22 2g3b n SER 67 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2g3b n GLU 68 N 0.48 2.23 -0.40 4.33 2.13 -0.92 -0.60 120.64 127.88 2g3b n GLU 68 Ca 0.07 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.71 2g3b n GLU 68 Cb 0.29 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.34 2g3b n GLU 68 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2g3b n GLY 69 N 4.36 0.72 3.25 8.31 0.00 -1.26 -5.04 105.19 115.52 2g3b n GLY 69 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2g3b n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2g3b n GLU 70 N -2.07 -2.00 -1.64 1.61 -0.58 0.23 -4.56 120.64 111.62 2g3b n GLU 70 Ca 0.00 -0.57 -0.14 0.00 -0.42 0.00 0.00 57.16 56.02 2g3b n GLU 70 Cb 0.00 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.10 2g3b n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2g3b n GLY 71 N 1.99 1.05 3.92 0.62 0.00 -1.26 -4.92 105.19 106.58 2g3b n GLY 71 Ca 0.02 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 2g3b n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g3b n GLY 73 N -1.16 -0.23 0.14 -0.02 0.00 -1.26 -5.08 105.19 97.57 2g3b n GLY 73 Ca -0.15 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2g3b n GLY 73 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2g3b h ASP 74 N -1.84 0.40 -3.90 1.61 5.19 -1.95 -3.43 116.42 112.51 2g3b h ASP 74 Ca -0.63 -0.91 -0.46 0.00 -0.62 0.00 0.00 57.03 54.41 2g3b h ASP 74 Cb 1.37 -0.13 0.16 0.00 0.18 0.00 0.00 39.33 40.91 2g3b h ASP 74 CO 0.62 1.82 0.20 -0.94 -3.12 0.00 0.00 179.24 177.81 2g3b s SER 75 N -7.05 2.73 0.19 6.45 1.04 -1.26 -4.81 113.70 110.99 2g3b s SER 75 Ca -0.22 1.24 -0.07 0.00 0.48 0.00 0.00 55.95 57.38 2g3b s SER 75 Cb 0.06 -1.91 0.11 0.00 0.10 0.00 0.00 66.02 64.38 2g3b s SER 75 CO 0.76 -3.07 1.59 0.00 0.98 0.00 0.00 173.24 173.50 2g3b h ALA 76 N -1.85 0.79 -0.39 5.32 0.00 -1.95 -2.18 119.26 119.00 2g3b h ALA 76 Ca -0.54 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.03 2g3b h ALA 76 Cb 1.32 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2g3b h ALA 76 CO 0.57 0.65 0.14 -0.09 0.00 0.00 0.00 179.25 180.52 2g3b h ARG 77 N 0.75 0.29 -0.44 0.00 2.43 -1.94 0.11 114.38 115.58 2g3b h ARG 77 Ca 0.10 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2g3b h ARG 77 Cb 0.78 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 2g3b h ARG 77 CO 0.06 0.19 0.16 -0.44 -1.51 0.00 0.00 179.97 178.44 2g3b h ASP 78 N 0.30 0.18 -0.17 -3.80 3.32 -1.84 -0.28 116.42 114.13 2g3b h ASP 78 Ca 0.18 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 2g3b h ASP 78 Cb 0.16 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 2g3b h ASP 78 CO -0.18 0.14 -0.29 0.03 -1.72 0.00 0.00 179.24 177.22 2g3b h ARG 79 N 0.34 0.50 -0.41 3.56 3.08 -0.91 -1.30 114.38 119.24 2g3b h ARG 79 Ca 0.21 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2g3b h ARG 79 Cb 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2g3b h ARG 79 CO -0.20 0.91 0.23 -0.07 -1.07 0.00 0.00 179.97 179.76 2g3b h LEU 80 N 0.15 0.50 -0.09 3.04 3.38 -0.73 -1.73 115.31 119.83 2g3b h LEU 80 Ca 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2g3b h LEU 80 Cb 0.87 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2g3b h LEU 80 CO 0.07 0.44 0.05 0.74 0.09 0.00 0.00 178.44 179.82 2g3b h THR 81 N 0.53 1.08 -0.73 0.22 2.02 -0.98 -1.75 112.91 113.29 2g3b h THR 81 Ca 0.14 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2g3b h THR 81 Cb 0.04 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2g3b h THR 81 CO -0.02 0.07 0.48 -0.09 0.37 0.00 0.00 175.52 176.32 2g3b h ARG 82 N 0.05 0.95 0.38 6.66 2.43 -1.22 -0.75 114.38 122.88 2g3b h ARG 82 Ca 0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2g3b h ARG 82 Cb 0.07 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2g3b h ARG 82 CO -0.01 0.63 -0.18 1.03 -1.51 0.00 0.00 179.97 179.93 2g3b h SER 83 N 0.98 -0.43 -0.44 -3.80 0.87 -1.18 -0.95 113.55 108.60 2g3b h SER 83 Ca 0.27 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.70 2g3b h SER 83 Cb -0.10 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2g3b h SER 83 CO -0.07 -0.27 -0.17 -0.07 -0.53 0.00 0.00 176.83 175.73 2g3b h LEU 84 N -0.55 0.92 -0.57 2.23 3.38 -1.20 -3.06 115.31 116.45 2g3b h LEU 84 Ca -0.05 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.38 2g3b h LEU 84 Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2g3b h LEU 84 CO 0.08 1.10 -0.70 -0.07 0.09 0.00 0.00 178.44 178.94 2g3b h LEU 85 N 0.73 0.11 -2.39 1.67 4.07 -1.19 -3.11 115.31 115.21 2g3b h LEU 85 Ca 0.10 -0.08 0.01 0.00 0.08 0.00 0.00 57.88 58.00 2g3b h LEU 85 Cb 0.73 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 2g3b h LEU 85 CO 0.06 0.78 0.19 1.23 -1.08 0.00 0.00 178.44 179.62 2g3b h GLY 86 N 1.88 0.00 2.00 0.83 0.00 -1.06 -2.25 103.07 104.47 2g3b h GLY 86 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2g3b h GLY 86 CO 0.10 0.00 -0.20 0.83 0.00 0.00 0.00 176.54 177.27 2g3b h GLU 87 N 0.00 0.00 -3.73 4.80 4.39 -1.61 -3.42 114.58 115.01 2g3b h GLU 87 Ca 0.02 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.13 2g3b h GLU 87 Cb 0.41 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.66 2g3b h GLU 87 CO -0.00 0.20 -0.75 0.42 -1.16 0.00 0.00 179.01 177.71 2g3b s ILE 88 N -3.52 1.09 -0.12 3.13 1.01 -0.85 -4.91 121.20 117.04 2g3b s ILE 88 Ca 0.02 -1.55 -0.17 0.00 0.00 0.00 0.00 60.65 58.96 2g3b s ILE 88 Cb 0.09 -1.83 0.04 0.00 0.01 0.00 0.00 42.46 40.78 2g3b s ILE 88 CO 0.64 -0.66 0.43 -1.10 0.00 0.00 0.00 174.94 174.24 2g3b s GLN 89 N 1.51 0.60 -1.49 2.79 -0.21 -1.26 -4.84 119.66 116.76 2g3b s GLN 89 Ca 0.10 0.37 -0.11 0.00 0.02 0.00 0.00 55.36 55.74 2g3b s GLN 89 Cb -0.17 0.29 0.02 0.00 1.00 0.00 0.00 33.01 34.14 2g3b s GLN 89 CO -0.23 -0.12 2.50 -0.25 -2.12 0.00 0.00 175.29 175.07 2g3b n ASP 90 N 2.26 6.52 -4.11 5.90 8.00 -1.26 -4.32 116.55 129.53 2g3b n ASP 90 Ca -0.16 -2.81 -0.24 0.00 0.71 0.00 0.00 54.79 52.29 2g3b n ASP 90 Cb 0.57 -1.56 -0.16 0.00 -0.02 0.00 0.00 41.12 39.95 2g3b n ASP 90 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2g3b s ARG 91 N 1.86 1.39 0.21 -1.24 0.52 -1.26 -5.07 118.95 115.37 2g3b s ARG 91 Ca 0.56 -0.54 -0.10 0.00 -0.52 0.00 0.00 55.73 55.14 2g3b s ARG 91 Cb 0.16 -1.29 0.27 0.00 0.52 0.00 0.00 34.95 34.61 2g3b s ARG 91 CO -0.07 0.27 1.75 -1.35 0.02 0.00 0.00 175.30 175.93 2g3b h PRO 92 N 6.01 0.44 -0.74 3.54 0.11 -2.00 -0.92 132.00 138.44 2g3b h PRO 92 Ca -0.34 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 2g3b h PRO 92 Cb 1.16 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2g3b h PRO 92 CO 0.48 0.29 0.28 0.93 -0.21 0.00 0.00 178.00 179.77 2g3b h GLU 93 N 0.45 1.12 -0.51 1.05 5.08 -1.98 -0.61 114.58 119.18 2g3b h GLU 93 Ca 0.30 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 2g3b h GLU 93 Cb 0.34 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2g3b h GLU 93 CO -0.28 0.93 -0.08 0.28 -1.00 0.00 0.00 179.01 178.86 2g3b h VAL 94 N 1.08 1.26 -0.09 3.13 2.07 -1.69 0.40 116.25 122.41 2g3b h VAL 94 Ca 0.25 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2g3b h VAL 94 Cb 0.24 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2g3b h VAL 94 CO -0.02 0.42 -0.00 0.58 0.02 0.00 0.00 177.57 178.57 2g3b h VAL 95 N 0.83 1.26 -0.39 2.57 2.07 -0.98 -1.64 116.25 119.97 2g3b h VAL 95 Ca 0.14 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 66.85 2g3b h VAL 95 Cb 0.60 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2g3b h VAL 95 CO 0.04 0.23 0.23 -0.08 0.02 0.00 0.00 177.57 178.02 2g3b h GLU 96 N -0.13 0.46 -0.74 1.57 4.81 -1.00 0.61 114.58 120.16 2g3b h GLU 96 Ca 0.02 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2g3b h GLU 96 Cb 0.37 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 2g3b h GLU 96 CO 0.01 0.31 0.41 -0.91 -0.73 0.00 0.00 179.01 178.09 2g3b h ASN 97 N 0.48 0.59 -0.34 1.04 2.35 -0.82 -1.26 115.58 117.61 2g3b h ASN 97 Ca 0.16 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2g3b h ASN 97 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2g3b h ASN 97 CO -0.07 0.36 0.07 -1.28 -1.65 0.00 0.00 177.43 174.86 2g3b h SER 98 N 0.72 0.52 -0.34 5.81 0.87 -0.81 -0.69 113.55 119.63 2g3b h SER 98 Ca 0.35 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2g3b h SER 98 Cb 0.28 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2g3b h SER 98 CO -0.22 0.63 0.14 -0.07 -0.53 0.00 0.00 176.83 176.78 2g3b h LEU 99 N 0.39 0.17 -0.54 2.23 3.38 -0.58 0.18 115.31 120.54 2g3b h LEU 99 Ca 0.10 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2g3b h LEU 99 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2g3b h LEU 99 CO 0.00 0.14 0.14 0.00 0.09 0.00 0.00 178.44 178.81 2g3b h ALA 100 N 1.20 0.71 -0.20 1.53 0.00 -1.13 -1.29 119.26 120.09 2g3b h ALA 100 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2g3b h ALA 100 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2g3b h ALA 100 CO -0.14 0.40 0.03 2.35 0.00 0.00 0.00 179.25 181.90 2g3b h TRP 101 N 0.76 0.35 -0.71 0.00 2.91 -0.99 -0.75 115.95 117.52 2g3b h TRP 101 Ca 0.17 -0.05 0.15 0.00 1.13 0.00 0.00 58.89 60.29 2g3b h TRP 101 Cb 0.32 -0.10 -0.11 0.00 -0.51 0.00 0.00 29.16 28.77 2g3b h TRP 101 CO 0.02 0.48 0.14 -0.97 -1.03 0.00 0.00 178.44 177.08 2g3b h ASN 102 N 0.12 -0.03 -0.04 2.65 -0.73 -0.81 0.16 115.58 116.89 2g3b h ASN 102 Ca 0.06 0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.37 2g3b h ASN 102 Cb 0.32 0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 2g3b h ASN 102 CO 0.00 -0.05 0.02 -0.33 -0.37 0.00 0.00 177.43 176.71 2g3b h GLU 103 N 0.24 0.06 -0.56 6.67 4.39 -0.85 -1.90 114.58 122.64 2g3b h GLU 103 Ca 0.39 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 2g3b h GLU 103 Cb 0.66 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 2g3b h GLU 103 CO -0.51 0.18 0.29 -0.07 -1.16 0.00 0.00 179.01 177.75 2g3b h LEU 104 N -0.07 0.72 -0.46 1.33 3.38 -0.76 -0.16 115.31 119.29 2g3b h LEU 104 Ca 0.01 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2g3b h LEU 104 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2g3b h LEU 104 CO -0.00 0.62 0.30 -0.09 0.09 0.00 0.00 178.44 179.36 2g3b h ARG 105 N 0.76 0.60 -0.59 1.13 9.65 -0.66 -1.58 114.38 123.69 2g3b h ARG 105 Ca 0.20 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.96 2g3b h ARG 105 Cb 0.08 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2g3b h ARG 105 CO -0.03 0.40 0.04 0.00 2.80 0.00 0.00 179.97 183.18 2g3b h ALA 106 N 1.17 0.96 -0.02 2.80 0.00 -1.19 -3.20 119.26 119.78 2g3b h ALA 106 Ca 0.17 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2g3b h ALA 106 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2g3b h ALA 106 CO -0.04 0.64 -0.75 0.77 0.00 0.00 0.00 179.25 179.87 2g3b h SER 107 N 0.92 0.17 0.41 0.00 0.02 -0.83 -3.12 113.55 111.12 2g3b h SER 107 Ca 0.17 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2g3b h SER 107 Cb 0.48 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2g3b h SER 107 CO 0.02 0.85 0.00 0.00 -1.14 0.00 0.00 176.83 176.56 2g3b n ALA 108 N -2.44 1.40 -0.10 3.77 0.00 -0.61 -0.13 120.51 122.39 2g3b n ALA 108 Ca -0.02 0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 2g3b n ALA 108 Cb 0.72 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 2g3b n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g3b h VAL 109 N 0.00 1.20 -0.00 0.00 2.07 -1.66 -3.31 116.25 114.55 2g3b h VAL 109 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2g3b h VAL 109 Cb 0.21 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2g3b h VAL 109 CO 0.00 0.22 -0.45 0.00 0.02 0.00 0.00 177.57 177.37 2g3b n TYR 110 N -4.68 0.00 -3.52 1.57 0.18 -0.86 -4.76 117.16 105.08 2g3b n TYR 110 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 2g3b n TYR 110 Cb 0.17 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.06 2g3b n TYR 110 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2g3b s GLU 111 N -1.90 2.76 0.47 -3.48 0.41 0.81 -4.97 118.70 112.81 2g3b s GLU 111 Ca 0.05 -2.07 0.17 0.00 -0.41 0.00 0.00 54.97 52.72 2g3b s GLU 111 Cb 0.08 -4.02 1.12 0.00 -1.78 0.00 0.00 34.13 29.54 2g3b s GLU 111 CO 0.41 -1.22 2.02 1.49 -0.49 0.00 0.00 175.26 177.47 2g3b h GLU 112 N 8.04 0.00 0.00 1.61 4.81 -1.86 -2.46 114.58 124.73 2g3b h GLU 112 Ca -0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2g3b h GLU 112 Cb 1.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2g3b h GLU 112 CO 0.82 0.16 -0.12 0.00 -0.73 0.00 0.00 179.01 179.14 2g3b h ALA 113 N 1.84 1.56 0.00 2.92 0.00 -1.93 -1.93 119.26 121.72 2g3b h ALA 113 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2g3b h ALA 113 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2g3b h ALA 113 CO 0.02 0.15 0.00 -0.07 0.00 0.00 0.00 179.25 179.35 2g3b h LEU 114 N 0.00 0.00 -0.19 0.00 3.38 -1.77 -3.37 115.31 113.36 2g3b h LEU 114 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2g3b h LEU 114 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2g3b h LEU 114 CO 0.02 0.00 -0.02 0.03 0.09 0.00 0.00 178.44 178.56 2g3b h ARG 115 N 0.00 0.34 0.05 1.13 3.08 -1.49 -1.81 114.38 115.68 2g3b h ARG 115 Ca 0.00 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2g3b h ARG 115 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2g3b h ARG 115 CO 0.00 0.57 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.01 2g3b h ASP 116 N 0.08 -0.05 -0.52 7.04 3.32 -1.75 0.49 116.42 125.04 2g3b h ASP 116 Ca 0.05 -0.22 0.03 0.00 0.02 0.00 0.00 57.03 56.91 2g3b h ASP 116 Cb 0.42 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 2g3b h ASP 116 CO 0.01 0.19 0.31 -0.65 -1.72 0.00 0.00 179.24 177.38 2g3b h PRO 117 N -0.29 0.59 -0.82 3.56 0.11 -1.78 -1.63 132.00 131.74 2g3b h PRO 117 Ca -0.01 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.08 2g3b h PRO 117 Cb 0.27 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 2g3b h PRO 117 CO 0.01 0.39 0.54 1.25 -0.21 0.00 0.00 178.00 179.98 2g3b h LEU 118 N 0.61 0.92 -1.01 2.35 5.85 -1.20 0.09 115.31 122.92 2g3b h LEU 118 Ca 0.21 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.92 2g3b h LEU 118 Cb 0.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2g3b h LEU 118 CO -0.10 0.66 0.66 0.00 -0.34 0.00 0.00 178.44 179.32 2g3b h ALA 119 N 1.31 1.28 -0.18 1.25 0.00 -0.67 0.12 119.26 122.36 2g3b h ALA 119 Ca 0.30 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2g3b h ALA 119 Cb -0.10 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 17.28 2g3b h ALA 119 CO -0.07 0.67 -0.40 0.00 0.00 0.00 0.00 179.25 179.44 2g3b h ARG 120 N 1.36 0.58 -0.43 0.00 3.08 -0.61 0.45 114.38 118.81 2g3b h ARG 120 Ca 0.37 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2g3b h ARG 120 Cb -0.15 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2g3b h ARG 120 CO -0.08 1.01 -0.14 1.15 -1.07 0.00 0.00 179.97 180.83 2g3b h THR 121 N 0.24 1.27 -0.77 2.04 2.02 -0.83 -2.41 112.91 114.48 2g3b h THR 121 Ca 0.00 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 2g3b h THR 121 Cb 1.01 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 2g3b h THR 121 CO 0.09 0.43 0.38 0.74 0.37 0.00 0.00 175.52 177.53 2g3b h THR 122 N 0.69 1.24 -0.59 3.16 2.02 -0.68 -2.15 112.91 116.60 2g3b h THR 122 Ca 0.10 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 2g3b h THR 122 Cb 0.69 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2g3b h THR 122 CO 0.05 0.28 0.25 0.00 0.37 0.00 0.00 175.52 176.47 2g3b h ALA 123 N 1.33 1.35 -0.52 6.16 0.00 -0.68 0.11 119.26 127.00 2g3b h ALA 123 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2g3b h ALA 123 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2g3b h ALA 123 CO -0.04 0.50 0.10 0.00 0.00 0.00 0.00 179.25 179.81 2g3b h ALA 124 N 1.45 0.69 0.07 0.00 0.00 -0.90 -0.87 119.26 119.70 2g3b h ALA 124 Ca 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2g3b h ALA 124 Cb 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2g3b h ALA 124 CO -0.02 0.42 -0.03 2.35 0.00 0.00 0.00 179.25 181.96 2g3b h TRP 125 N 0.74 -0.09 -0.86 0.00 7.01 -0.94 -2.80 115.95 119.02 2g3b h TRP 125 Ca 0.16 -0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.31 2g3b h TRP 125 Cb 0.38 0.03 -0.10 0.00 -2.10 0.00 0.00 29.16 27.37 2g3b h TRP 125 CO 0.03 0.09 0.44 0.28 -2.79 0.00 0.00 178.44 176.49 2g3b h VAL 126 N -0.25 0.71 -0.35 2.65 2.07 -0.73 -2.34 116.25 118.01 2g3b h VAL 126 Ca -0.01 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 2g3b h VAL 126 Cb 0.22 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2g3b h VAL 126 CO 0.02 0.11 0.04 -1.28 0.02 0.00 0.00 177.57 176.48 2g3b h SER 127 N 0.62 0.49 -0.65 0.57 0.87 -0.93 0.22 113.55 114.74 2g3b h SER 127 Ca 0.47 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 2g3b h SER 127 Cb 0.68 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 2g3b h SER 127 CO -0.37 0.53 0.25 -0.33 -0.53 0.00 0.00 176.83 176.38 2g3b h GLU 128 N 0.51 0.98 -0.07 2.24 5.08 -1.17 0.72 114.58 122.88 2g3b h GLU 128 Ca 0.12 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2g3b h GLU 128 Cb 0.27 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2g3b h GLU 128 CO 0.00 0.83 -0.13 0.82 -1.00 0.00 0.00 179.01 179.53 2g3b h ILE 129 N 0.92 1.41 -0.47 3.13 1.08 -1.26 -2.46 117.51 119.86 2g3b h ILE 129 Ca 0.22 -1.42 0.07 0.00 -0.39 0.00 0.00 64.86 63.34 2g3b h ILE 129 Cb 0.23 2.17 -0.06 0.00 -3.07 0.00 0.00 36.82 36.09 2g3b h ILE 129 CO -0.02 0.40 0.12 0.00 -0.69 0.00 0.00 178.15 177.97 2g3b h ALA 130 N 0.50 0.54 -0.79 1.87 0.00 -0.52 -1.74 119.26 119.12 2g3b h ALA 130 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2g3b h ALA 130 Cb 0.71 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2g3b h ALA 130 CO 0.03 -0.28 0.46 0.22 0.00 0.00 0.00 179.25 179.68 2g3b h ASP 131 N 0.27 0.97 -0.43 0.00 3.58 -0.85 -0.39 116.42 119.56 2g3b h ASP 131 Ca 0.23 -0.08 0.06 0.00 0.42 0.00 0.00 57.03 57.67 2g3b h ASP 131 Cb 0.28 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 2g3b h ASP 131 CO -0.28 0.76 0.11 0.00 -2.88 0.00 0.00 179.24 176.96 2g3b h ALA 132 N 1.25 0.49 -0.26 -0.78 0.00 -0.98 -0.71 119.26 118.26 2g3b h ALA 132 Ca 0.28 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2g3b h ALA 132 Cb -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2g3b h ALA 132 CO -0.05 -0.28 0.10 0.82 0.00 0.00 0.00 179.25 179.84 2g3b h ILE 133 N 0.26 1.18 -0.75 0.00 2.04 -0.73 -1.54 117.51 117.97 2g3b h ILE 133 Ca 0.21 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.54 2g3b h ILE 133 Cb 0.24 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2g3b h ILE 133 CO -0.25 0.18 0.49 0.58 0.00 0.00 0.00 178.15 179.15 2g3b h VAL 134 N 0.27 1.15 -0.54 1.67 2.07 -0.87 0.89 116.25 120.89 2g3b h VAL 134 Ca 0.09 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2g3b h VAL 134 Cb 0.19 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 2g3b h VAL 134 CO -0.01 0.18 0.30 1.56 0.02 0.00 0.00 177.57 179.62 2g3b h GLN 135 N 0.97 0.75 0.00 1.57 1.08 -0.98 -2.31 115.11 116.20 2g3b h GLN 135 Ca 0.29 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 57.31 2g3b h GLN 135 Cb -0.06 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2g3b h GLN 135 CO -0.08 0.58 -0.41 0.00 -0.95 0.00 0.00 178.83 177.97 2g3b h ALA 136 N 1.13 1.12 -0.03 3.87 0.00 -0.83 -2.32 119.26 122.20 2g3b h ALA 136 Ca 0.19 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2g3b h ALA 136 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2g3b h ALA 136 CO -0.03 0.51 -0.58 1.96 0.00 0.00 0.00 179.25 181.11 2g3b h GLN 137 N 0.00 0.09 -0.51 0.00 4.20 -0.40 0.61 115.11 119.11 2g3b h GLN 137 Ca -0.00 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 2g3b h GLN 137 Cb 0.83 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2g3b h GLN 137 CO 0.05 0.64 -0.02 0.00 -0.67 0.00 0.00 178.83 178.84 2g3b h ALA 138 N 1.34 0.69 0.00 3.87 0.00 -0.89 -2.67 119.26 121.60 2g3b h ALA 138 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2g3b h ALA 138 Cb 1.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2g3b h ALA 138 CO 0.08 0.52 -0.01 1.79 0.00 0.00 0.00 179.25 181.63 2g3b h THR 139 N 0.77 0.02 0.00 0.00 1.35 -1.44 -3.48 112.91 110.14 2g3b h THR 139 Ca 0.14 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2g3b h THR 139 Cb 0.55 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2g3b h THR 139 CO 0.03 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 2g3b n GLY 140 N 0.68 0.57 0.19 5.82 0.00 0.01 -4.96 105.19 107.50 2g3b n GLY 140 Ca 0.03 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.69 2g3b n GLY 140 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2g3b h GLU 141 N 0.69 0.00 -5.23 1.61 5.08 -1.29 -3.44 114.58 112.00 2g3b h GLU 141 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 2g3b h GLU 141 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 2g3b h GLU 141 CO 0.00 0.00 -0.79 0.42 -1.00 0.00 0.00 179.01 177.64 2g3b s ILE 142 N -3.44 1.05 -0.10 3.13 1.01 -1.19 -4.99 121.20 116.67 2g3b s ILE 142 Ca 0.04 -0.96 -0.40 0.00 0.00 0.00 0.00 60.65 59.33 2g3b s ILE 142 Cb 0.09 -0.95 -0.18 0.00 0.01 0.00 0.00 42.46 41.43 2g3b s ILE 142 CO 0.48 -0.01 1.40 -0.24 0.00 0.00 0.00 174.94 176.58 2g3b n SER 143 N 1.94 1.33 0.00 3.58 2.88 -1.26 -4.56 113.62 117.53 2g3b n SER 143 Ca -0.18 1.13 0.09 0.00 -1.33 0.00 0.00 58.87 58.58 2g3b n SER 143 Cb 0.55 -1.07 0.51 0.00 -0.75 0.00 0.00 64.21 63.45 2g3b n SER 143 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2g3b n ARG 144 N 3.12 0.46 0.01 -1.46 0.00 -1.26 -2.87 116.66 114.66 2g3b n ARG 144 Ca 0.22 0.04 -0.12 0.00 -0.00 0.00 0.00 57.85 58.00 2g3b n ARG 144 Cb 0.11 -1.50 0.01 0.00 -0.00 0.00 0.00 32.46 31.08 2g3b n ARG 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2g3b h SER 145 N 0.00 0.66 -3.11 2.89 4.64 -2.02 -3.45 113.55 113.16 2g3b h SER 145 Ca 0.00 -0.40 -0.53 0.00 -0.47 0.00 0.00 61.79 60.40 2g3b h SER 145 Cb 0.06 -0.19 0.07 0.00 -0.31 0.00 0.00 62.40 62.02 2g3b h SER 145 CO 0.00 1.14 0.89 -0.76 -0.87 0.00 0.00 176.83 177.23 2g3b s LEU 146 N -8.23 4.36 -0.36 5.97 1.43 -1.14 -4.97 118.68 115.75 2g3b s LEU 146 Ca -0.07 2.82 -0.26 0.00 -1.03 0.00 0.00 54.13 55.58 2g3b s LEU 146 Cb 0.10 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.72 2g3b s LEU 146 CO 0.86 -0.87 0.93 -0.62 0.23 0.00 0.00 176.35 176.88 2g3b s ASP 147 N 0.73 6.70 0.17 2.29 2.15 -1.26 -4.98 116.67 122.47 2g3b s ASP 147 Ca 0.66 0.62 -0.21 0.00 0.43 0.00 0.00 52.55 54.06 2g3b s ASP 147 Cb -0.46 -2.47 0.09 0.00 -0.30 0.00 0.00 42.92 39.79 2g3b s ASP 147 CO 0.41 -0.84 1.61 -0.65 -0.17 0.00 0.00 175.17 175.53 2g3b h PRO 148 N 8.42 -0.18 0.64 4.34 0.11 -1.93 -1.76 132.00 141.63 2g3b h PRO 148 Ca -0.23 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 2g3b h PRO 148 Cb 1.08 0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.24 2g3b h PRO 148 CO 0.98 -0.12 -0.31 0.37 -0.21 0.00 0.00 178.00 178.71 2g3b h GLN 149 N -0.19 -0.83 -1.00 1.05 5.75 -1.93 -1.40 115.11 116.57 2g3b h GLN 149 Ca 0.20 0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.86 2g3b h GLN 149 Cb 0.50 0.19 -0.08 0.00 1.07 0.00 0.00 27.48 29.16 2g3b h GLN 149 CO -0.54 -0.52 0.63 -1.35 -2.65 0.00 0.00 178.83 174.41 2g3b h PRO 150 N -0.97 0.99 -0.68 -2.39 0.11 -1.99 -0.10 132.00 126.98 2g3b h PRO 150 Ca -0.09 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 2g3b h PRO 150 Cb 0.69 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2g3b h PRO 150 CO 0.14 0.65 0.38 1.15 -0.21 0.00 0.00 178.00 180.12 2g3b h THR 151 N 1.02 1.21 -0.33 -1.15 2.02 -1.19 0.50 112.91 114.99 2g3b h THR 151 Ca 0.48 -0.51 -0.17 0.00 0.77 0.00 0.00 66.41 66.98 2g3b h THR 151 Cb 0.43 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2g3b h THR 151 CO -0.24 0.23 -0.46 0.00 0.37 0.00 0.00 175.52 175.42 2g3b h ALA 152 N 1.19 0.55 -0.24 6.16 0.00 -0.68 -2.74 119.26 123.50 2g3b h ALA 152 Ca 0.24 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2g3b h ALA 152 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2g3b h ALA 152 CO -0.04 0.68 0.14 0.28 0.00 0.00 0.00 179.25 180.31 2g3b h VAL 153 N 0.70 1.03 0.00 0.00 2.07 -0.85 -1.74 116.25 117.46 2g3b h VAL 153 Ca 0.04 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2g3b h VAL 153 Cb 1.06 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2g3b h VAL 153 CO 0.11 0.05 0.00 0.41 0.02 0.00 0.00 177.57 178.16 2g3b n THR 154 N -4.95 0.02 0.00 2.57 -1.04 0.15 -0.72 114.28 110.31 2g3b n THR 154 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 2g3b n THR 154 Cb 0.04 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 2g3b n THR 154 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2g3b n THR 156 N 0.46 0.00 -0.34 12.58 -2.24 -0.66 -0.77 114.28 123.31 2g3b n THR 156 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2g3b n THR 156 Cb 0.06 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.38 2g3b n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g3b h ALA 157 N 0.00 1.17 -0.59 6.98 0.00 -1.15 -1.92 119.26 123.75 2g3b h ALA 157 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2g3b h ALA 157 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 2g3b h ALA 157 CO 0.00 0.64 0.34 1.25 0.00 0.00 0.00 179.25 181.48 2g3b h LEU 158 N 1.27 0.53 -0.56 0.00 5.85 -1.20 -0.50 115.31 120.71 2g3b h LEU 158 Ca 0.33 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.10 2g3b h LEU 158 Cb -0.03 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2g3b h LEU 158 CO -0.06 0.37 0.32 0.58 -0.34 0.00 0.00 178.44 179.31 2g3b h VAL 159 N 0.66 1.02 -0.53 1.05 2.07 -1.75 0.10 116.25 118.87 2g3b h VAL 159 Ca 0.25 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2g3b h VAL 159 Cb 0.08 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2g3b h VAL 159 CO -0.13 0.11 0.15 -0.33 0.02 0.00 0.00 177.57 177.39 2g3b h GLU 160 N 0.63 0.83 -0.40 1.57 5.08 -0.95 0.11 114.58 121.44 2g3b h GLU 160 Ca 0.24 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2g3b h GLU 160 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2g3b h GLU 160 CO -0.13 0.78 0.11 0.78 -1.00 0.00 0.00 179.01 179.55 2g3b h GLY 161 N 0.73 0.68 0.99 -3.84 0.00 -0.83 -1.04 103.07 99.76 2g3b h GLY 161 Ca 0.17 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 2g3b h GLY 161 CO -0.00 0.39 0.23 1.41 0.00 0.00 0.00 176.54 178.57 2g3b h LEU 162 N 0.50 0.77 -1.23 3.11 3.38 -0.87 -2.90 115.31 118.08 2g3b h LEU 162 Ca 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2g3b h LEU 162 Cb 0.29 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2g3b h LEU 162 CO -0.00 0.73 0.44 0.28 0.09 0.00 0.00 178.44 179.97 2g3b h SER 163 N 0.77 0.85 -0.76 -0.43 0.02 -0.61 -0.27 113.55 113.11 2g3b h SER 163 Ca 0.19 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2g3b h SER 163 Cb 0.19 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 2g3b h SER 163 CO -0.02 0.65 0.47 1.23 -1.14 0.00 0.00 176.83 178.02 2g3b h GLY 164 N 1.01 1.10 1.46 -3.77 0.00 -1.00 -0.24 103.07 101.63 2g3b h GLY 164 Ca 0.26 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 2g3b h GLY 164 CO -0.05 0.44 -0.58 3.21 0.00 0.00 0.00 176.54 179.56 2g3b h ARG 165 N 1.04 0.56 -0.43 4.80 3.08 -1.27 -3.13 114.38 119.03 2g3b h ARG 165 Ca 0.27 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2g3b h ARG 165 Cb -0.05 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2g3b h ARG 165 CO -0.05 0.98 0.21 2.35 -1.07 0.00 0.00 179.97 182.39 2g3b h TRP 166 N 0.42 0.61 0.00 3.04 7.01 -0.58 -0.09 115.95 126.36 2g3b h TRP 166 Ca 0.00 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2g3b h TRP 166 Cb 1.13 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.00 2g3b h TRP 166 CO 0.05 0.49 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.07 2g3b h LEU 167 N 0.55 0.00 -0.82 0.65 3.38 -1.09 -1.84 115.31 116.14 2g3b h LEU 167 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2g3b h LEU 167 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2g3b h LEU 167 CO -0.02 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.56 2g3b n LYS 169 N 0.06 -1.77 0.11 0.00 4.76 -0.69 -4.87 118.16 115.76 2g3b n LYS 169 Ca 0.13 0.85 0.02 0.00 -2.87 0.00 0.00 58.31 56.44 2g3b n LYS 169 Cb 0.24 -5.38 -0.00 0.00 -1.84 0.00 0.00 35.03 28.05 2g3b n LYS 169 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2g3b h GLU 170 N 0.00 0.00 -4.52 1.97 4.81 -1.22 -3.45 114.58 112.18 2g3b h GLU 170 Ca -0.37 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.52 2g3b h GLU 170 Cb 1.22 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.33 2g3b h GLU 170 CO 0.47 0.47 -0.76 -1.50 -0.73 0.00 0.00 179.01 176.96 2g3b s ILE 171 N -2.95 0.55 0.70 2.32 2.07 -1.22 -4.99 121.20 117.68 2g3b s ILE 171 Ca 0.02 -0.51 -0.11 0.00 -1.41 0.00 0.00 60.65 58.64 2g3b s ILE 171 Cb 0.08 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 42.18 2g3b s ILE 171 CO 0.76 0.00 1.06 -0.94 -1.91 0.00 0.00 174.94 173.92 2g3b s SER 172 N -0.56 5.38 0.13 4.50 1.04 -1.26 -4.39 113.70 118.53 2g3b s SER 172 Ca -0.01 1.53 -0.21 0.00 0.48 0.00 0.00 55.95 57.74 2g3b s SER 172 Cb -0.05 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 2g3b s SER 172 CO 0.00 -1.43 1.69 0.74 0.98 0.00 0.00 173.24 175.22 2g3b h THR 173 N -0.71 0.75 -0.24 2.02 2.02 -1.98 -0.74 112.91 114.03 2g3b h THR 173 Ca -0.44 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.66 2g3b h THR 173 Cb 1.22 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2g3b h THR 173 CO 0.58 0.00 -0.18 1.05 0.37 0.00 0.00 175.52 177.34 2g3b h GLU 174 N -0.07 0.42 -0.05 6.66 9.09 -1.96 -0.81 114.58 127.86 2g3b h GLU 174 Ca 0.09 -0.13 -0.01 0.00 0.05 0.00 0.00 59.36 59.36 2g3b h GLU 174 Cb 0.20 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.25 2g3b h GLU 174 CO -0.20 0.59 0.00 -0.44 0.05 0.00 0.00 179.01 179.01 2g3b h ASP 175 N 0.38 0.09 -0.73 3.06 5.19 -1.86 -1.86 116.42 120.70 2g3b h ASP 175 Ca 0.07 -0.31 0.05 0.00 -0.62 0.00 0.00 57.03 56.22 2g3b h ASP 175 Cb 0.54 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.97 2g3b h ASP 175 CO 0.04 0.38 0.44 0.00 -3.12 0.00 0.00 179.24 176.97 2g3b h ALA 176 N 0.72 0.98 -0.56 3.45 0.00 -0.78 0.03 119.26 123.10 2g3b h ALA 176 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2g3b h ALA 176 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2g3b h ALA 176 CO 0.00 0.16 0.22 0.00 0.00 0.00 0.00 179.25 179.64 2g3b h ARG 177 N 0.82 0.84 -0.65 0.00 3.08 -1.16 -2.18 114.38 115.14 2g3b h ARG 177 Ca 0.32 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 2g3b h ARG 177 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2g3b h ARG 177 CO -0.16 0.73 0.11 1.03 -1.07 0.00 0.00 179.97 180.61 2g3b h SER 178 N 0.77 1.01 -0.11 7.04 0.87 -0.88 -1.44 113.55 120.82 2g3b h SER 178 Ca 0.19 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.38 2g3b h SER 178 Cb 0.21 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2g3b h SER 178 CO -0.01 1.00 -0.40 0.45 -0.53 0.00 0.00 176.83 177.34 2g3b h HIS 179 N 0.99 0.76 -0.85 2.24 3.86 -0.76 -1.43 115.15 119.96 2g3b h HIS 179 Ca 0.20 -0.22 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2g3b h HIS 179 Cb 0.42 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 2g3b h HIS 179 CO 0.03 0.94 0.41 -0.07 0.86 0.00 0.00 177.93 180.10 2g3b h LEU 180 N 0.52 1.10 -0.62 2.43 3.38 -1.15 0.05 115.31 121.02 2g3b h LEU 180 Ca 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2g3b h LEU 180 Cb 0.92 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2g3b h LEU 180 CO 0.08 0.92 0.32 -0.07 0.09 0.00 0.00 178.44 179.78 2g3b h LEU 181 N 1.20 0.79 -0.52 1.67 3.38 -0.85 -1.78 115.31 119.20 2g3b h LEU 181 Ca 0.29 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2g3b h LEU 181 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2g3b h LEU 181 CO -0.04 0.68 -0.03 1.23 0.09 0.00 0.00 178.44 180.37 2g3b h GLY 182 N 0.84 1.02 0.49 0.83 0.00 -0.80 -0.91 103.07 104.54 2g3b h GLY 182 Ca 0.21 -0.78 0.06 0.00 0.00 0.00 0.00 47.33 46.83 2g3b h GLY 182 CO -0.03 0.71 0.07 0.00 0.00 0.00 0.00 176.54 177.29 2g3b h ALA 183 N 0.94 0.43 -0.60 3.60 0.00 -0.81 -0.45 119.26 122.37 2g3b h ALA 183 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2g3b h ALA 183 Cb 0.57 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2g3b h ALA 183 CO 0.03 -0.33 0.35 0.82 0.00 0.00 0.00 179.25 180.13 2g3b h ILE 184 N 0.20 1.04 -0.37 0.00 2.04 -1.18 -0.14 117.51 119.10 2g3b h ILE 184 Ca 0.20 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2g3b h ILE 184 Cb 0.24 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 2g3b h ILE 184 CO -0.26 0.13 0.06 -0.78 0.00 0.00 0.00 178.15 177.29 2g3b h ASP 185 N 0.69 -0.03 -0.41 1.72 3.58 -0.66 -2.95 116.42 118.35 2g3b h ASP 185 Ca 0.25 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.72 2g3b h ASP 185 Cb 0.07 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2g3b h ASP 185 CO -0.12 0.02 0.07 0.58 -2.88 0.00 0.00 179.24 176.91 2g3b h VAL 186 N 0.17 1.24 0.00 2.25 2.07 -0.45 -0.97 116.25 120.56 2g3b h VAL 186 Ca 0.18 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2g3b h VAL 186 Cb 0.22 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2g3b h VAL 186 CO -0.25 0.30 0.00 0.52 0.02 0.00 0.00 177.57 178.16 2g3b n VAL 187 N -4.52 0.09 -0.21 2.57 0.31 -0.12 -5.11 118.33 111.33 2g3b n VAL 187 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2g3b n VAL 187 Cb 0.23 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 2g3b n VAL 187 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31