#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g2u s GLU 8 N 0.00 2.08 0.68 0.54 2.12 -1.26 -5.11 118.70 117.75 3g2u s GLU 8 Ca 0.00 -1.33 -0.14 0.00 0.36 0.00 0.00 54.97 53.87 3g2u s GLU 8 Cb 0.00 -2.13 0.01 0.00 0.26 0.00 0.00 34.13 32.27 3g2u s GLU 8 CO 0.00 0.41 1.10 0.95 -0.54 0.00 0.00 175.26 177.18 3g2u s THR 9 N -1.87 3.34 0.37 -1.70 -4.23 -1.26 -4.82 115.64 105.48 3g2u s THR 9 Ca 0.26 0.57 0.06 0.00 -1.18 0.00 0.00 61.69 61.40 3g2u s THR 9 Cb -0.08 -3.09 0.29 0.00 1.34 0.00 0.00 72.50 70.96 3g2u s THR 9 CO 0.16 -0.44 1.98 -0.07 -0.54 0.00 0.00 174.62 175.71 3g2u h LEU 10 N -0.25 0.62 0.25 4.79 4.07 -1.97 -1.81 115.31 121.00 3g2u h LEU 10 Ca -0.46 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.50 3g2u h LEU 10 Cb 1.24 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 3g2u h LEU 10 CO 0.54 0.41 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.78 3g2u h GLU 11 N 0.71 -0.44 -0.68 1.13 3.07 -1.99 0.45 114.58 116.84 3g2u h GLU 11 Ca 0.27 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 3g2u h GLU 11 Cb 0.18 0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3g2u h GLU 11 CO -0.08 -0.29 0.32 0.00 -1.40 0.00 0.00 179.01 177.55 3g2u h ALA 12 N 0.26 1.28 -0.05 3.43 0.00 -1.83 -1.22 119.26 121.13 3g2u h ALA 12 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3g2u h ALA 12 Cb 0.40 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3g2u h ALA 12 CO -0.02 0.55 0.01 0.00 0.00 0.00 0.00 179.25 179.79 3g2u h ARG 13 N 0.96 0.08 -0.25 0.00 3.08 -1.11 -2.33 114.38 114.82 3g2u h ARG 13 Ca 0.23 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 3g2u h ARG 13 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3g2u h ARG 13 CO -0.03 0.31 -0.22 0.97 -1.07 0.00 0.00 179.97 179.92 3g2u h ILE 14 N -0.16 1.26 -0.53 2.04 6.09 -0.71 0.28 117.51 125.77 3g2u h ILE 14 Ca 0.01 -1.20 -0.11 0.00 -1.37 0.00 0.00 64.86 62.20 3g2u h ILE 14 Cb 0.27 1.31 -0.02 0.00 0.47 0.00 0.00 36.82 38.85 3g2u h ILE 14 CO 0.00 0.38 -0.09 0.78 -3.07 0.00 0.00 178.15 176.15 3g2u h ASN 15 N 0.41 0.99 -0.19 2.19 2.35 -1.20 -0.75 115.58 119.37 3g2u h ASN 15 Ca 0.06 -0.35 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 3g2u h ASN 15 Cb 0.62 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3g2u h ASN 15 CO 0.04 1.10 0.00 -0.09 -1.65 0.00 0.00 177.43 176.84 3g2u h ARG 16 N 0.86 0.34 0.00 0.81 2.43 -1.12 -1.89 114.38 115.81 3g2u h ARG 16 Ca 0.14 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3g2u h ARG 16 Cb 0.65 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3g2u h ARG 16 CO 0.04 0.54 -0.03 0.00 -1.51 0.00 0.00 179.97 179.02 3g2u h ALA 17 N 0.79 1.03 0.00 2.80 0.00 -0.19 -3.13 119.26 120.56 3g2u h ALA 17 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g2u h ALA 17 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3g2u h ALA 17 CO 0.01 0.03 -0.02 0.25 0.00 0.00 0.00 179.25 179.52 3g2u n THR 18 N -3.16 0.98 -1.66 0.00 -2.24 -0.31 -4.67 114.28 103.22 3g2u n THR 18 Ca -0.01 -1.05 -0.47 0.00 -2.27 0.00 0.00 64.05 60.25 3g2u n THR 18 Cb 0.25 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 3g2u n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3g2u n ASN 19 N -0.58 3.49 0.00 3.42 2.85 -0.71 -4.46 115.26 119.26 3g2u n ASN 19 Ca 0.03 0.87 0.05 0.00 -0.11 0.00 0.00 54.58 55.42 3g2u n ASN 19 Cb 0.37 -1.40 0.25 0.00 1.24 0.00 0.00 39.78 40.24 3g2u n ASN 19 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3g2u n PRO 20 N 7.07 0.08 0.09 1.20 -0.04 -1.26 0.33 135.00 142.47 3g2u n PRO 20 Ca 0.24 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 3g2u n PRO 20 Cb 0.32 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.70 3g2u n PRO 20 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g2u n LEU 21 N -1.39 0.73 -4.72 1.53 4.77 -1.26 -4.90 117.00 111.75 3g2u n LEU 21 Ca 0.04 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 3g2u n LEU 21 Cb 0.10 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3g2u n LEU 21 CO 0.09 -0.16 1.34 0.20 -1.33 0.00 0.00 177.39 177.53 3g2u s ASN 22 N -4.36 6.40 0.20 -1.43 0.01 0.15 -4.89 114.94 111.02 3g2u s ASN 22 Ca 0.11 2.86 0.13 0.00 -0.71 0.00 0.00 52.86 55.24 3g2u s ASN 22 Cb 0.13 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 3g2u s ASN 22 CO 0.59 -0.95 1.31 0.11 -1.51 0.00 0.00 177.10 176.66 3g2u h LYS 23 N 6.50 0.00 -4.02 -0.60 1.57 -1.90 -3.46 116.57 114.65 3g2u h LYS 23 Ca -0.44 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.22 3g2u h LYS 23 Cb 1.20 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.38 3g2u h LYS 23 CO 0.93 0.64 -0.42 -1.83 -0.57 0.00 0.00 179.45 178.19 3g2u s GLU 24 N -2.87 1.03 0.21 3.15 -1.05 -1.26 -5.13 118.70 112.78 3g2u s GLU 24 Ca 0.02 -1.21 -0.31 0.00 -0.15 0.00 0.00 54.97 53.32 3g2u s GLU 24 Cb 0.08 0.33 -0.16 0.00 -0.44 0.00 0.00 34.13 33.95 3g2u s GLU 24 CO 0.78 -0.35 1.01 1.28 0.95 0.00 0.00 175.26 178.93 3g2u n LEU 25 N -0.15 1.12 -4.13 1.83 4.77 -1.26 -4.92 117.00 114.27 3g2u n LEU 25 Ca -0.08 1.15 -0.37 0.00 -0.03 0.00 0.00 56.01 56.68 3g2u n LEU 25 Cb 0.63 -1.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 3g2u n LEU 25 CO 0.26 -1.62 0.36 -0.62 -1.33 0.00 0.00 177.39 174.43 3g2u s ASP 26 N -0.34 6.05 0.29 -1.43 2.15 -1.26 -4.94 116.67 117.19 3g2u s ASP 26 Ca 0.68 -3.64 -0.00 0.00 0.43 0.00 0.00 52.55 50.01 3g2u s ASP 26 Cb -0.83 -1.93 0.44 0.00 -0.30 0.00 0.00 42.92 40.30 3g2u s ASP 26 CO 0.56 -0.21 1.85 -0.50 -0.17 0.00 0.00 175.17 176.70 3g2u h TRP 27 N 6.15 0.81 -0.34 -5.34 4.06 -1.96 -0.77 115.95 118.57 3g2u h TRP 27 Ca 0.15 -0.07 0.03 0.00 2.06 0.00 0.00 58.89 61.06 3g2u h TRP 27 Cb 0.83 -0.24 -0.05 0.00 -1.00 0.00 0.00 29.16 28.70 3g2u h TRP 27 CO 0.73 0.68 -0.29 0.00 -3.56 0.00 0.00 178.44 176.00 3g2u h ALA 28 N 1.39 -0.42 -0.87 1.49 0.00 -1.99 -1.27 119.26 117.59 3g2u h ALA 28 Ca 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3g2u h ALA 28 Cb 0.26 1.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3g2u h ALA 28 CO -0.00 -0.59 0.53 0.77 0.00 0.00 0.00 179.25 179.96 3g2u h SER 29 N -0.11 1.03 -0.23 0.00 0.02 -1.79 0.45 113.55 112.94 3g2u h SER 29 Ca 0.06 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3g2u h SER 29 Cb 0.25 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3g2u h SER 29 CO -0.38 0.79 0.06 0.40 -1.14 0.00 0.00 176.83 176.55 3g2u h ILE 30 N 1.19 1.21 -0.08 3.27 2.04 -1.07 -0.75 117.51 123.32 3g2u h ILE 30 Ca 0.31 -0.67 -0.23 0.00 1.00 0.00 0.00 64.86 65.27 3g2u h ILE 30 Cb -0.07 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3g2u h ILE 30 CO -0.06 0.21 -0.88 0.78 0.00 0.00 0.00 178.15 178.20 3g2u h ASN 31 N 0.19 0.85 -0.93 1.72 -0.26 -1.11 -2.61 115.58 113.42 3g2u h ASN 31 Ca 0.07 -0.61 0.14 0.00 -0.56 0.00 0.00 56.30 55.34 3g2u h ASN 31 Cb 0.27 -0.26 -0.09 0.00 -1.06 0.00 0.00 38.32 37.18 3g2u h ASN 31 CO 0.00 1.40 0.55 1.23 -1.06 0.00 0.00 177.43 179.55 3g2u h GLY 32 N 0.65 1.55 0.92 2.83 0.00 -0.84 -0.65 103.07 107.53 3g2u h GLY 32 Ca -0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3g2u h GLY 32 CO 0.17 0.04 0.06 -2.75 0.00 0.00 0.00 176.54 174.06 3g2u h PHE 33 N 0.80 0.66 -0.32 5.60 3.04 -0.83 -0.11 116.94 125.78 3g2u h PHE 33 Ca 0.49 -0.09 -0.12 0.00 3.98 0.00 0.00 57.97 62.24 3g2u h PHE 33 Cb 0.62 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 3g2u h PHE 33 CO -0.04 0.67 -0.28 0.00 -2.02 0.00 0.00 178.31 176.64 3g2u h GLU 35 N 0.56 0.90 -0.22 0.00 5.08 -1.03 -3.32 114.58 116.54 3g2u h GLU 35 Ca 0.07 -0.30 -0.16 0.00 -1.00 0.00 0.00 59.36 57.97 3g2u h GLU 35 Cb 0.76 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3g2u h GLU 35 CO 0.06 0.94 -0.51 0.37 -1.00 0.00 0.00 179.01 178.87 3g2u h GLN 36 N 0.76 0.63 0.00 2.33 5.75 -0.25 -2.94 115.11 121.38 3g2u h GLN 36 Ca 0.14 -0.38 -0.01 0.00 -0.15 0.00 0.00 58.65 58.24 3g2u h GLN 36 Cb 0.55 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 3g2u h GLN 36 CO 0.03 0.99 -0.07 1.37 -2.65 0.00 0.00 178.83 178.50 3g2u h LEU 37 N 0.49 0.00 0.00 -2.39 8.10 -1.42 -2.20 115.31 117.89 3g2u h LEU 37 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.01 3g2u h LEU 37 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.28 3g2u h LEU 37 CO 0.10 0.07 -0.76 0.59 -4.11 0.00 0.00 178.44 174.33 3g2u n ASN 38 N -3.65 0.68 0.06 0.17 4.13 -1.11 -3.13 115.26 112.40 3g2u n ASN 38 Ca -0.02 0.03 -0.01 0.00 1.68 0.00 0.00 54.58 56.26 3g2u n ASN 38 Cb 0.18 0.36 -0.06 0.00 -1.54 0.00 0.00 39.78 38.72 3g2u n ASN 38 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 3g2u h GLU 39 N 0.00 0.00 -6.42 3.52 4.11 -1.40 -3.45 114.58 110.95 3g2u h GLU 39 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.89 3g2u h GLU 39 Cb 0.75 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3g2u h GLU 39 CO 0.00 0.47 -0.03 -0.51 0.07 0.00 0.00 179.01 179.01 3g2u s ASP 40 N -6.15 6.86 0.17 3.06 -0.00 -1.20 -4.99 116.67 114.41 3g2u s ASP 40 Ca -0.00 1.16 -0.07 0.00 -0.00 0.00 0.00 52.55 53.64 3g2u s ASP 40 Cb 0.08 -2.32 0.04 0.00 -0.00 0.00 0.00 42.92 40.72 3g2u s ASP 40 CO 0.79 0.05 1.49 0.15 -0.00 0.00 0.00 175.17 177.65 3g2u h PHE 41 N 3.35 0.91 -0.00 4.23 3.04 -1.87 -2.74 116.94 123.86 3g2u h PHE 41 Ca -0.48 -0.30 0.00 0.00 3.98 0.00 0.00 57.97 61.17 3g2u h PHE 41 Cb 1.19 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.52 3g2u h PHE 41 CO 0.64 1.08 -0.17 0.39 -2.02 0.00 0.00 178.31 178.23 3g2u n GLU 42 N -4.01 0.68 -0.03 1.11 -0.58 -1.26 -4.45 120.64 112.10 3g2u n GLU 42 Ca -0.03 -0.30 -0.01 0.00 -0.42 0.00 0.00 57.16 56.40 3g2u n GLU 42 Cb 0.58 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.95 3g2u n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g2u n GLY 43 N 1.32 -2.61 0.37 0.62 0.00 -1.03 -2.83 105.19 101.02 3g2u n GLY 43 Ca 0.13 0.54 0.02 0.00 0.00 0.00 0.00 46.02 46.71 3g2u n GLY 43 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g2u h PRO 44 N 0.00 1.11 0.00 1.61 0.11 -1.75 -1.47 132.00 131.61 3g2u h PRO 44 Ca 0.01 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.90 3g2u h PRO 44 Cb 0.03 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3g2u h PRO 44 CO -0.07 0.73 -0.74 -1.00 -0.21 0.00 0.00 178.00 176.72 3g2u h PRO 45 N 1.14 0.00 -0.32 1.05 0.13 -1.87 -2.55 132.00 129.58 3g2u h PRO 45 Ca 0.37 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.48 3g2u h PRO 45 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 3g2u h PRO 45 CO -0.12 0.74 0.13 1.25 -0.23 0.00 0.00 178.00 179.77 3g2u h LEU 46 N 0.00 0.44 -0.94 1.56 5.85 -1.33 -2.56 115.31 118.33 3g2u h LEU 46 Ca -0.01 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 3g2u h LEU 46 Cb 1.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 3g2u h LEU 46 CO 0.10 0.48 -0.00 0.00 -0.34 0.00 0.00 178.44 178.67 3g2u h ALA 47 N 0.98 1.12 -0.35 1.25 0.00 -1.24 -0.06 119.26 120.97 3g2u h ALA 47 Ca 0.11 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3g2u h ALA 47 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g2u h ALA 47 CO -0.01 0.56 -0.45 0.00 0.00 0.00 0.00 179.25 179.35 3g2u h THR 48 N 0.72 1.27 -0.45 0.00 1.03 -1.50 -0.24 112.91 113.74 3g2u h THR 48 Ca 0.14 -1.63 0.00 0.00 -0.01 0.00 0.00 66.41 64.91 3g2u h THR 48 Cb 0.45 1.48 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 3g2u h THR 48 CO 0.02 0.54 0.30 -0.09 -0.01 0.00 0.00 175.52 176.28 3g2u h ARG 49 N 0.73 0.59 -0.52 0.00 2.43 -0.97 -1.81 114.38 114.83 3g2u h ARG 49 Ca 0.04 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3g2u h ARG 49 Cb 1.06 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3g2u h ARG 49 CO 0.11 0.39 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.88 3g2u h LEU 50 N 0.61 0.85 0.02 3.80 3.38 -0.79 -3.16 115.31 120.02 3g2u h LEU 50 Ca 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3g2u h LEU 50 Cb -0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3g2u h LEU 50 CO -0.04 0.92 -0.01 -0.07 0.09 0.00 0.00 178.44 179.34 3g2u h LEU 51 N 0.81 -0.03 -0.96 1.67 3.38 -0.75 -2.76 115.31 116.68 3g2u h LEU 51 Ca 0.15 -0.48 0.12 0.00 0.09 0.00 0.00 57.88 57.76 3g2u h LEU 51 Cb 0.50 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 3g2u h LEU 51 CO 0.02 0.47 -0.48 0.00 0.09 0.00 0.00 178.44 178.55 3g2u h ALA 52 N 0.42 -0.19 -0.09 1.53 0.00 -1.41 0.71 119.26 120.23 3g2u h ALA 52 Ca -0.00 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3g2u h ALA 52 Cb 0.51 1.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3g2u h ALA 52 CO 0.01 -0.79 -0.11 1.25 0.00 0.00 0.00 179.25 179.61 3g2u h HIS 53 N -0.02 -0.27 -0.75 0.00 -0.00 -1.50 -2.36 115.15 110.25 3g2u h HIS 53 Ca 0.25 0.02 0.02 0.00 -0.00 0.00 0.00 60.37 60.66 3g2u h HIS 53 Cb 0.52 0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 28.02 3g2u h HIS 53 CO -0.93 -0.16 0.49 0.87 -0.00 0.00 0.00 177.93 178.19 3g2u h LYS 54 N -0.14 0.94 0.00 5.26 1.79 -1.18 -2.33 116.57 120.90 3g2u h LYS 54 Ca 0.07 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3g2u h LYS 54 Cb 0.24 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3g2u h LYS 54 CO -0.17 0.62 -0.10 0.82 -1.08 0.00 0.00 179.45 179.54 3g2u h ILE 55 N 0.97 0.78 -0.28 1.86 2.04 -0.59 -1.94 117.51 120.35 3g2u h ILE 55 Ca 0.29 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3g2u h ILE 55 Cb -0.05 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3g2u h ILE 55 CO -0.09 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.16 3g2u n GLN 56 N -3.99 1.91 -1.78 2.37 6.02 -0.89 -4.79 117.38 116.23 3g2u n GLN 56 Ca -0.02 -1.39 -0.41 0.00 -0.01 0.00 0.00 57.00 55.16 3g2u n GLN 56 Cb 0.19 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 3g2u n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3g2u s SER 57 N -1.36 6.34 0.34 1.08 0.15 -0.73 -4.90 113.70 114.62 3g2u s SER 57 Ca 0.32 3.02 0.25 0.00 0.70 0.00 0.00 55.95 60.24 3g2u s SER 57 Cb 0.17 -2.66 1.22 0.00 -1.71 0.00 0.00 66.02 63.05 3g2u s SER 57 CO 0.24 -0.90 1.75 -0.65 1.20 0.00 0.00 173.24 174.88 3g2u h PRO 58 N 3.76 0.00 -5.04 5.44 0.11 -1.93 -3.41 132.00 130.93 3g2u h PRO 58 Ca -0.49 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 3g2u h PRO 58 Cb 1.23 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.17 3g2u h PRO 58 CO 0.70 0.00 0.16 -0.65 -0.21 0.00 0.00 178.00 178.00 3g2u s GLN 59 N -3.53 3.13 0.25 1.05 -0.21 -1.26 -4.95 119.66 114.14 3g2u s GLN 59 Ca -0.00 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.43 3g2u s GLN 59 Cb 0.08 -4.14 0.42 0.00 1.00 0.00 0.00 33.01 30.37 3g2u s GLN 59 CO 0.29 -1.37 1.80 1.49 -2.12 0.00 0.00 175.29 175.39 3g2u h GLU 60 N 9.12 0.74 0.00 2.91 4.81 -1.99 -0.66 114.58 129.50 3g2u h GLU 60 Ca -0.28 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 3g2u h GLU 60 Cb 1.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3g2u h GLU 60 CO 1.02 0.49 -0.48 2.35 -0.73 0.00 0.00 179.01 181.66 3g2u h TRP 61 N 0.76 0.00 -0.44 0.92 -0.00 -1.94 0.14 115.95 115.38 3g2u h TRP 61 Ca 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.30 3g2u h TRP 61 Cb 0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.56 3g2u h TRP 61 CO -0.07 0.48 0.26 1.49 -0.00 0.00 0.00 178.44 180.61 3g2u h GLU 62 N 0.00 0.60 -0.29 2.65 4.81 -1.35 -2.22 114.58 118.79 3g2u h GLU 62 Ca -0.00 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 3g2u h GLU 62 Cb 0.90 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 3g2u h GLU 62 CO 0.06 0.45 -0.53 0.00 -0.73 0.00 0.00 179.01 178.26 3g2u h ALA 63 N 1.12 0.52 0.01 2.92 0.00 -0.84 -2.60 119.26 120.38 3g2u h ALA 63 Ca 0.16 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3g2u h ALA 63 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3g2u h ALA 63 CO -0.03 0.68 -0.00 0.82 0.00 0.00 0.00 179.25 180.72 3g2u h ILE 64 N 0.65 1.08 -0.55 0.00 1.08 -0.78 -1.59 117.51 117.41 3g2u h ILE 64 Ca 0.02 -0.27 0.06 0.00 -0.39 0.00 0.00 64.86 64.28 3g2u h ILE 64 Cb 1.13 1.27 -0.06 0.00 -3.07 0.00 0.00 36.82 36.09 3g2u h ILE 64 CO 0.12 0.07 0.24 1.56 -0.69 0.00 0.00 178.15 179.45 3g2u h GLN 65 N -0.13 0.45 -0.93 2.37 4.20 -1.44 -1.45 115.11 118.18 3g2u h GLN 65 Ca -0.00 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.69 3g2u h GLN 65 Cb 0.12 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 3g2u h GLN 65 CO 0.00 0.30 0.62 0.00 -0.67 0.00 0.00 178.83 179.08 3g2u h ALA 66 N 1.33 1.35 0.00 3.87 0.00 -1.36 -0.74 119.26 123.71 3g2u h ALA 66 Ca 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3g2u h ALA 66 Cb 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3g2u h ALA 66 CO -0.22 0.60 -0.44 -0.07 0.00 0.00 0.00 179.25 179.12 3g2u h LEU 67 N 1.25 0.00 -0.52 0.00 3.38 -0.69 -0.45 115.31 118.28 3g2u h LEU 67 Ca 0.35 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 3g2u h LEU 67 Cb -0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3g2u h LEU 67 CO -0.08 0.44 0.04 0.74 0.09 0.00 0.00 178.44 179.68 3g2u h THR 68 N 0.00 1.26 0.33 0.22 2.02 -1.09 -0.10 112.91 115.55 3g2u h THR 68 Ca -0.00 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.15 3g2u h THR 68 Cb 0.89 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3g2u h THR 68 CO 0.06 0.36 -0.28 0.58 0.37 0.00 0.00 175.52 176.61 3g2u h VAL 69 N 0.76 0.40 -0.28 3.16 2.07 -0.78 -1.58 116.25 120.02 3g2u h VAL 69 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.74 3g2u h VAL 69 Cb 0.47 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 3g2u h VAL 69 CO 0.02 0.00 -0.33 0.25 0.02 0.00 0.00 177.57 177.53 3g2u h LEU 70 N -0.63 -1.08 -0.51 2.57 5.85 -1.12 -1.24 115.31 119.16 3g2u h LEU 70 Ca -0.02 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.97 3g2u h LEU 70 Cb 0.56 0.48 -0.10 0.00 0.37 0.00 0.00 40.66 41.97 3g2u h LEU 70 CO -0.03 -0.34 -0.18 -0.08 -0.34 0.00 0.00 178.44 177.47 3g2u h GLU 71 N -0.33 -0.06 -0.48 1.25 4.81 -0.98 -1.11 114.58 117.68 3g2u h GLU 71 Ca 0.13 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3g2u h GLU 71 Cb 0.55 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3g2u h GLU 71 CO -0.46 -0.04 0.29 1.15 -0.73 0.00 0.00 179.01 179.22 3g2u h THR 72 N -0.06 1.15 -0.11 0.32 2.02 -0.96 -2.37 112.91 112.89 3g2u h THR 72 Ca 0.24 -0.35 -0.21 0.00 0.77 0.00 0.00 66.41 66.86 3g2u h THR 72 Cb 0.44 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3g2u h THR 72 CO -0.56 0.15 -0.79 0.00 0.37 0.00 0.00 175.52 174.70 3g2u h MET 74 N 0.43 0.00 0.00 0.00 2.07 -1.18 -2.81 114.93 113.44 3g2u h MET 74 Ca -0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 3g2u h MET 74 Cb 1.40 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.13 3g2u h MET 74 CO 0.15 0.00 0.00 0.87 1.07 0.00 0.00 176.91 179.00 3g2u h LYS 75 N 0.00 0.00 -6.84 1.72 1.57 -1.00 -3.45 116.57 108.57 3g2u h LYS 75 Ca 0.08 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.42 3g2u h LYS 75 Cb 0.32 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.68 3g2u h LYS 75 CO -0.00 0.00 -0.03 0.45 -0.57 0.00 0.00 179.45 179.30 3g2u s SER 76 N -4.63 5.19 0.16 0.86 0.15 -1.06 -5.02 113.70 109.35 3g2u s SER 76 Ca 0.08 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.53 3g2u s SER 76 Cb 0.11 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 3g2u s SER 76 CO 0.54 -1.20 1.56 0.00 1.20 0.00 0.00 173.24 175.33 3g2u n GLY 78 N -0.14 -0.06 0.07 0.00 0.00 -1.26 -4.92 105.19 98.88 3g2u n GLY 78 Ca 0.00 0.45 -0.07 0.00 0.00 0.00 0.00 46.02 46.40 3g2u n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g2u h LYS 79 N 2.88 0.00 -0.41 1.61 1.63 -1.99 -3.08 116.57 117.21 3g2u h LYS 79 Ca -0.42 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.38 3g2u h LYS 79 Cb 1.34 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 3g2u h LYS 79 CO 0.67 0.76 0.25 0.00 -3.45 0.00 0.00 179.45 177.69 3g2u h ARG 80 N 0.00 0.55 -0.51 1.90 3.08 -1.99 0.80 114.38 118.22 3g2u h ARG 80 Ca -0.13 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.78 3g2u h ARG 80 Cb 1.86 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.78 3g2u h ARG 80 CO 0.11 0.40 -0.07 0.35 -1.07 0.00 0.00 179.97 179.68 3g2u h PHE 81 N 0.55 1.05 -0.60 3.04 3.57 -1.94 0.36 116.94 122.96 3g2u h PHE 81 Ca 0.15 -0.21 0.08 0.00 3.53 0.00 0.00 57.97 61.52 3g2u h PHE 81 Cb -0.02 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.40 3g2u h PHE 81 CO -0.04 0.99 0.26 0.45 -2.23 0.00 0.00 178.31 177.74 3g2u h HIS 82 N 0.80 0.46 -0.52 0.41 3.86 -1.39 -1.55 115.15 117.22 3g2u h HIS 82 Ca 0.13 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3g2u h HIS 82 Cb 0.62 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3g2u h HIS 82 CO 0.05 0.16 0.15 -0.44 0.86 0.00 0.00 177.93 178.71 3g2u h ASP 83 N 0.47 0.76 -0.10 2.45 3.45 -0.24 -1.66 116.42 121.56 3g2u h ASP 83 Ca 0.29 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3g2u h ASP 83 Cb 0.31 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 3g2u h ASP 83 CO -0.26 0.77 0.05 -0.33 -1.57 0.00 0.00 179.24 177.90 3g2u h GLU 84 N 0.71 0.10 0.00 3.56 4.39 -0.53 -2.78 114.58 120.04 3g2u h GLU 84 Ca 0.17 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 3g2u h GLU 84 Cb 0.29 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3g2u h GLU 84 CO -0.00 0.07 -0.18 0.28 -1.16 0.00 0.00 179.01 178.01 3g2u h VAL 85 N 0.11 0.95 -0.44 3.13 2.07 -1.30 -2.81 116.25 117.96 3g2u h VAL 85 Ca 0.04 -0.67 -0.18 0.00 0.82 0.00 0.00 66.70 66.71 3g2u h VAL 85 Cb 0.00 1.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.05 3g2u h VAL 85 CO -0.03 0.18 0.23 0.61 0.02 0.00 0.00 177.57 178.58 3g2u n GLY 86 N -0.84 2.94 3.82 2.17 0.00 -0.63 -4.23 105.19 108.42 3g2u n GLY 86 Ca -0.02 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3g2u n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g2u s LYS 87 N -1.74 3.14 0.39 1.61 1.02 -1.06 -4.58 119.74 118.52 3g2u s LYS 87 Ca 0.28 -0.48 0.13 0.00 0.02 0.00 0.00 55.97 55.93 3g2u s LYS 87 Cb 0.23 -2.90 0.95 0.00 -0.52 0.00 0.00 37.83 35.59 3g2u s LYS 87 CO 0.06 0.64 1.87 0.74 -0.92 0.00 0.00 175.35 177.75 3g2u h PHE 88 N 3.86 0.67 -1.00 3.18 0.04 -1.89 0.15 116.94 121.95 3g2u h PHE 88 Ca -0.48 0.02 0.21 0.00 2.80 0.00 0.00 57.97 60.51 3g2u h PHE 88 Cb 1.18 -0.21 -0.10 0.00 2.20 0.00 0.00 35.95 39.02 3g2u h PHE 88 CO 0.64 0.22 0.62 -0.09 -0.60 0.00 0.00 178.31 179.10 3g2u h ARG 89 N 0.54 0.65 0.01 1.51 2.43 -1.94 0.28 114.38 117.86 3g2u h ARG 89 Ca 0.44 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3g2u h ARG 89 Cb 0.89 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3g2u h ARG 89 CO -0.18 0.43 -0.72 0.35 -1.51 0.00 0.00 179.97 178.33 3g2u h PHE 90 N 0.67 0.04 -0.99 2.20 3.57 -1.44 -3.40 116.94 117.58 3g2u h PHE 90 Ca 0.58 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 62.16 3g2u h PHE 90 Cb 1.04 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.70 3g2u h PHE 90 CO -0.00 1.28 0.63 -0.07 -2.23 0.00 0.00 178.31 177.92 3g2u h LEU 91 N -0.94 0.93 -1.70 0.59 4.07 -0.45 -1.76 115.31 116.05 3g2u h LEU 91 Ca -0.19 0.04 0.11 0.00 0.08 0.00 0.00 57.88 57.91 3g2u h LEU 91 Cb 1.21 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 3g2u h LEU 91 CO -0.10 0.52 0.39 0.78 -1.08 0.00 0.00 178.44 178.95 3g2u h ASN 92 N 1.01 0.30 0.14 -0.43 2.35 -0.68 -1.19 115.58 117.09 3g2u h ASN 92 Ca 0.47 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 56.10 3g2u h ASN 92 Cb 0.42 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3g2u h ASN 92 CO -0.23 0.18 -0.48 -0.33 -1.65 0.00 0.00 177.43 174.92 3g2u h GLU 93 N 0.34 0.40 0.00 0.81 4.39 -1.53 -1.85 114.58 117.14 3g2u h GLU 93 Ca 0.27 -0.23 -0.19 0.00 0.34 0.00 0.00 59.36 59.55 3g2u h GLU 93 Cb 0.61 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3g2u h GLU 93 CO -0.07 0.80 -0.85 -0.07 -1.16 0.00 0.00 179.01 177.66 3g2u h LEU 94 N 0.32 0.18 -0.64 1.33 3.38 -1.34 -3.16 115.31 115.39 3g2u h LEU 94 Ca 0.02 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3g2u h LEU 94 Cb 0.97 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3g2u h LEU 94 CO 0.08 0.95 0.08 0.40 0.09 0.00 0.00 178.44 180.04 3g2u h ILE 95 N 0.08 1.26 -0.77 1.22 2.04 -1.04 -2.73 117.51 117.57 3g2u h ILE 95 Ca -0.03 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 64.82 3g2u h ILE 95 Cb 1.48 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 3g2u h ILE 95 CO 0.12 0.39 0.51 0.11 0.00 0.00 0.00 178.15 179.29 3g2u h LYS 96 N 0.99 0.86 -0.59 2.37 1.57 -1.33 -1.67 116.57 118.76 3g2u h LYS 96 Ca 0.19 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 3g2u h LYS 96 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3g2u h LYS 96 CO 0.02 0.57 -0.03 0.28 -0.57 0.00 0.00 179.45 179.71 3g2u h VAL 97 N 0.89 1.27 0.00 0.50 2.07 -1.45 0.51 116.25 120.03 3g2u h VAL 97 Ca 0.32 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3g2u h VAL 97 Cb 0.15 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3g2u h VAL 97 CO -0.10 0.43 -0.97 1.33 0.02 0.00 0.00 177.57 178.28 3g2u n VAL 98 N -4.17 0.32 -3.28 2.57 0.24 -1.08 -3.24 118.33 109.68 3g2u n VAL 98 Ca 0.02 -0.34 -0.38 0.00 -2.04 0.00 0.00 64.34 61.60 3g2u n VAL 98 Cb 0.37 -0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 3g2u n VAL 98 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3g2u s SER 99 N -4.38 6.89 0.29 -1.34 0.01 -0.65 -4.60 113.70 109.92 3g2u s SER 99 Ca 0.03 1.06 0.13 0.00 1.31 0.00 0.00 55.95 58.48 3g2u s SER 99 Cb 0.13 -2.33 0.38 0.00 0.21 0.00 0.00 66.02 64.41 3g2u s SER 99 CO 0.78 0.13 1.60 -0.65 0.41 0.00 0.00 173.24 175.51 3g2u h PRO 100 N 5.65 0.00 -1.08 12.44 0.11 -1.88 2.74 132.00 149.97 3g2u h PRO 100 Ca -0.46 0.00 0.33 0.00 0.11 0.00 0.00 66.00 65.99 3g2u h PRO 100 Cb 1.20 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 3g2u h PRO 100 CO 0.69 0.58 0.65 -0.22 -0.21 0.00 0.00 178.00 179.49 3g2u h LYS 101 N 0.00 0.28 0.00 1.05 3.64 -1.94 -3.41 116.57 116.19 3g2u h LYS 101 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3g2u h LYS 101 Cb 1.12 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3g2u h LYS 101 CO 0.08 0.19 0.00 0.66 -2.27 0.00 0.00 179.45 178.10 3g2u n TYR 102 N -4.89 0.00 0.86 1.91 4.02 -0.73 -4.97 117.16 113.35 3g2u n TYR 102 Ca 0.32 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.31 3g2u n TYR 102 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 3g2u n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g2u n LEU 103 N 0.00 0.74 -0.33 7.72 4.77 0.17 -4.55 117.00 125.51 3g2u n LEU 103 Ca 0.00 -0.24 0.21 0.00 -0.03 0.00 0.00 56.01 55.95 3g2u n LEU 103 Cb 0.00 -0.08 0.46 0.00 -2.33 0.00 0.00 43.42 41.47 3g2u n LEU 103 CO 0.00 0.16 1.20 1.23 -1.33 0.00 0.00 177.39 178.65 3g2u h GLY 104 N 4.85 1.48 2.00 -0.72 0.00 0.48 -0.55 103.07 110.61 3g2u h GLY 104 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3g2u h GLY 104 CO 0.00 -0.18 -0.05 1.76 0.00 0.00 0.00 176.54 178.07 3g2u h SER 105 N 0.46 0.00 0.00 0.19 0.02 -1.78 -2.88 113.55 109.56 3g2u h SER 105 Ca 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 3g2u h SER 105 Cb 1.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.96 3g2u h SER 105 CO -0.36 0.05 -1.10 0.54 -1.14 0.00 0.00 176.83 174.82 3g2u n ARG 106 N -3.28 1.46 -3.16 3.45 1.74 -0.23 -4.98 116.66 111.65 3g2u n ARG 106 Ca -0.01 -0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.65 3g2u n ARG 106 Cb 0.23 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 3g2u n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3g2u s THR 107 N -2.66 4.63 0.61 0.55 2.01 -1.09 -5.05 115.64 114.65 3g2u s THR 107 Ca 0.01 1.18 -0.18 0.00 0.31 0.00 0.00 61.69 63.01 3g2u s THR 107 Cb 0.11 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3g2u s THR 107 CO 0.61 0.23 1.21 -0.94 -0.69 0.00 0.00 174.62 175.04 3g2u s SER 108 N -1.65 5.05 0.35 3.53 1.04 -1.26 -4.89 113.70 115.88 3g2u s SER 108 Ca 0.41 2.39 0.05 0.00 0.48 0.00 0.00 55.95 59.29 3g2u s SER 108 Cb -0.16 -2.60 0.71 0.00 0.10 0.00 0.00 66.02 64.07 3g2u s SER 108 CO 0.21 -1.69 1.95 -0.08 0.98 0.00 0.00 173.24 174.61 3g2u h GLU 109 N 0.72 0.77 -0.35 4.02 4.57 -1.97 -1.66 114.58 120.69 3g2u h GLU 109 Ca -0.50 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 3g2u h GLU 109 Cb 1.30 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 3g2u h GLU 109 CO 0.54 0.51 0.17 -0.22 -1.18 0.00 0.00 179.01 178.83 3g2u h LYS 110 N 0.79 0.51 -0.21 1.92 3.64 -1.98 0.41 116.57 121.66 3g2u h LYS 110 Ca 0.33 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3g2u h LYS 110 Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3g2u h LYS 110 CO -0.11 0.46 0.04 0.28 -2.27 0.00 0.00 179.45 177.85 3g2u h VAL 111 N 0.43 1.22 -0.40 2.00 2.07 -1.90 -2.24 116.25 117.43 3g2u h VAL 111 Ca 0.12 -0.73 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 3g2u h VAL 111 Cb 0.13 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3g2u h VAL 111 CO -0.01 0.23 -0.18 0.11 0.02 0.00 0.00 177.57 177.73 3g2u h LYS 112 N 0.14 0.76 -0.10 1.57 1.57 -1.05 -2.09 116.57 117.36 3g2u h LYS 112 Ca 0.06 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 3g2u h LYS 112 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3g2u h LYS 112 CO 0.00 0.89 -0.50 -0.91 -0.57 0.00 0.00 179.45 178.36 3g2u h ASN 113 N 0.68 0.30 -0.27 0.86 -0.26 -0.17 -2.16 115.58 114.56 3g2u h ASN 113 Ca 0.10 -0.15 -0.16 0.00 -0.56 0.00 0.00 56.30 55.53 3g2u h ASN 113 Cb 0.67 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 3g2u h ASN 113 CO 0.05 0.75 -0.44 0.50 -1.06 0.00 0.00 177.43 177.24 3g2u h LYS 114 N 0.22 0.84 -0.33 0.81 1.63 -1.10 -1.77 116.57 116.86 3g2u h LYS 114 Ca 0.01 -0.46 0.05 0.00 -0.85 0.00 0.00 60.65 59.39 3g2u h LYS 114 Cb 0.97 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.58 3g2u h LYS 114 CO 0.08 1.10 0.07 0.82 -3.45 0.00 0.00 179.45 178.07 3g2u h ILE 115 N 0.67 0.84 -0.34 2.00 2.04 -1.12 -1.91 117.51 119.70 3g2u h ILE 115 Ca 0.04 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 3g2u h ILE 115 Cb 1.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3g2u h ILE 115 CO 0.10 0.03 0.06 -0.07 0.00 0.00 0.00 178.15 178.28 3g2u h LEU 116 N 0.19 0.53 -0.54 1.44 3.38 -1.26 -1.39 115.31 117.66 3g2u h LEU 116 Ca 0.16 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.98 3g2u h LEU 116 Cb 0.17 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 3g2u h LEU 116 CO -0.20 0.65 0.04 -0.08 0.09 0.00 0.00 178.44 178.93 3g2u h GLU 117 N 0.39 0.15 0.35 1.13 4.81 -1.32 -2.10 114.58 118.00 3g2u h GLU 117 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3g2u h GLU 117 Cb 0.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3g2u h GLU 117 CO 0.00 0.10 -0.17 -0.07 -0.73 0.00 0.00 179.01 178.15 3g2u h LEU 118 N 0.16 -0.40 -0.71 1.64 3.38 -1.13 -2.00 115.31 116.24 3g2u h LEU 118 Ca 0.28 -0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.30 3g2u h LEU 118 Cb 0.42 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 3g2u h LEU 118 CO -0.43 -0.11 0.11 -0.07 0.09 0.00 0.00 178.44 178.03 3g2u h LEU 119 N -0.69 -0.11 0.07 1.67 3.38 -1.22 -1.51 115.31 116.90 3g2u h LEU 119 Ca -0.05 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g2u h LEU 119 Cb 0.49 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3g2u h LEU 119 CO 0.08 -0.08 -0.03 0.22 0.09 0.00 0.00 178.44 178.72 3g2u h TYR 120 N 0.21 -0.08 -0.98 1.13 3.20 -1.32 -1.66 116.97 117.47 3g2u h TYR 120 Ca 0.40 -0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.52 3g2u h TYR 120 Cb 0.68 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 3g2u h TYR 120 CO -0.31 -0.02 0.67 0.66 -1.64 0.00 0.00 178.16 177.52 3g2u h SER 121 N -0.13 0.26 0.34 -2.11 4.64 -0.64 -1.81 113.55 114.09 3g2u h SER 121 Ca -0.01 0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.10 3g2u h SER 121 Cb 0.10 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3g2u h SER 121 CO 0.02 0.07 -1.06 -0.50 -0.87 0.00 0.00 176.83 174.49 3g2u h TRP 122 N 0.24 0.69 -0.46 4.77 6.55 -0.63 0.03 115.95 127.14 3g2u h TRP 122 Ca 0.51 -0.41 0.05 0.00 0.95 0.00 0.00 58.89 59.99 3g2u h TRP 122 Cb 1.56 -0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 29.77 3g2u h TRP 122 CO -0.00 1.25 0.31 1.79 -1.05 0.00 0.00 178.44 180.74 3g2u h THR 123 N 0.22 1.00 0.16 1.49 1.35 -0.48 0.16 112.91 116.81 3g2u h THR 123 Ca -0.11 -0.15 -0.31 0.00 -0.55 0.00 0.00 66.41 65.29 3g2u h THR 123 Cb 1.72 0.53 0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3g2u h THR 123 CO 0.19 0.08 -1.54 0.58 -0.25 0.00 0.00 175.52 174.57 3g2u h VAL 124 N 0.43 1.02 0.16 6.82 2.07 -1.29 -3.35 116.25 122.10 3g2u h VAL 124 Ca 0.19 -2.47 -0.34 0.00 0.82 0.00 0.00 66.70 64.90 3g2u h VAL 124 Cb 0.23 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3g2u h VAL 124 CO -0.05 0.78 -1.71 1.23 0.02 0.00 0.00 177.57 177.85 3g2u h GLY 125 N 0.33 0.38 -5.46 2.17 0.00 -0.89 -3.39 103.07 96.20 3g2u h GLY 125 Ca -0.31 -0.97 -0.59 0.00 0.00 0.00 0.00 47.33 45.46 3g2u h GLY 125 CO 0.13 0.85 -0.64 1.04 0.00 0.00 0.00 176.54 177.91 3g2u n LEU 126 N -3.52 4.29 0.21 3.11 4.77 0.56 -4.92 117.00 121.50 3g2u n LEU 126 Ca -0.23 -5.63 0.14 0.00 -0.03 0.00 0.00 56.01 50.26 3g2u n LEU 126 Cb 1.06 -0.55 0.73 0.00 -2.33 0.00 0.00 43.42 42.34 3g2u n LEU 126 CO 0.50 2.31 0.93 -0.65 -1.33 0.00 0.00 177.39 179.15 3g2u h PRO 127 N 3.19 0.00 0.00 3.23 0.11 -1.70 -0.52 132.00 136.31 3g2u h PRO 127 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3g2u h PRO 127 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3g2u h PRO 127 CO 0.82 0.00 -0.23 0.39 -0.21 0.00 0.00 178.00 178.77 3g2u n GLU 128 N -2.50 0.04 -2.64 1.05 1.02 -1.26 -4.21 120.64 112.14 3g2u n GLU 128 Ca -0.01 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3g2u n GLU 128 Cb 0.08 -1.54 -0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3g2u n GLU 128 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3g2u s GLU 129 N -3.02 3.95 0.42 3.49 0.41 -0.20 -4.86 118.70 118.89 3g2u s GLU 129 Ca 0.12 -1.99 0.21 0.00 -0.41 0.00 0.00 54.97 52.90 3g2u s GLU 129 Cb 0.18 -5.43 0.91 0.00 -1.78 0.00 0.00 34.13 28.00 3g2u s GLU 129 CO 0.61 -2.17 1.85 -0.39 -0.49 0.00 0.00 175.26 174.67 3g2u h VAL 130 N 5.57 0.82 0.00 2.63 -1.51 -1.84 -2.75 116.25 119.17 3g2u h VAL 130 Ca 0.40 -1.18 -0.06 0.00 -1.23 0.00 0.00 66.70 64.62 3g2u h VAL 130 Cb 0.89 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 3g2u h VAL 130 CO 1.42 0.28 -0.31 0.11 -1.23 0.00 0.00 177.57 177.84 3g2u h LYS 131 N 0.00 0.00 -0.21 5.19 1.57 -1.89 -0.85 116.57 120.37 3g2u h LYS 131 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3g2u h LYS 131 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3g2u h LYS 131 CO 0.04 0.31 -0.18 0.82 -0.57 0.00 0.00 179.45 179.87 3g2u h ILE 132 N 0.00 1.32 -0.53 1.86 2.04 -1.74 -0.40 117.51 120.07 3g2u h ILE 132 Ca -0.00 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.57 3g2u h ILE 132 Cb 0.64 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 3g2u h ILE 132 CO 0.04 0.40 0.31 0.00 0.00 0.00 0.00 178.15 178.90 3g2u h ALA 133 N 0.67 0.68 0.25 1.87 0.00 -1.55 -1.27 119.26 119.90 3g2u h ALA 133 Ca 0.04 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3g2u h ALA 133 Cb 0.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3g2u h ALA 133 CO 0.05 0.01 -0.38 0.93 0.00 0.00 0.00 179.25 179.85 3g2u h GLU 134 N 0.61 -0.67 -0.74 0.00 5.08 -1.02 0.19 114.58 118.02 3g2u h GLU 134 Ca 0.22 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.71 3g2u h GLU 134 Cb 0.05 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 3g2u h GLU 134 CO -0.11 -0.45 0.39 0.00 -1.00 0.00 0.00 179.01 177.85 3g2u h ALA 135 N -0.21 1.04 -0.27 3.43 0.00 -0.93 -1.79 119.26 120.52 3g2u h ALA 135 Ca -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3g2u h ALA 135 Cb 0.67 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3g2u h ALA 135 CO -0.14 -0.00 -0.04 -0.92 0.00 0.00 0.00 179.25 178.14 3g2u h TYR 136 N 0.66 0.57 0.00 0.00 3.20 -0.93 -2.18 116.97 118.28 3g2u h TYR 136 Ca 0.36 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3g2u h TYR 136 Cb 0.36 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3g2u h TYR 136 CO -0.09 0.70 -0.02 1.96 -1.64 0.00 0.00 178.16 179.07 3g2u h GLN 137 N 0.27 0.00 0.08 1.82 7.50 -0.18 -0.49 115.11 124.11 3g2u h GLN 137 Ca 0.07 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 59.06 3g2u h GLN 137 Cb 0.50 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.05 3g2u h GLN 137 CO 0.02 0.02 -0.68 1.98 -1.50 0.00 0.00 178.83 178.67 3g2u h MET 138 N 0.00 0.32 -0.38 1.46 4.05 -0.91 -0.86 114.93 118.61 3g2u h MET 138 Ca -0.00 -0.45 0.06 0.00 -0.28 0.00 0.00 59.70 59.03 3g2u h MET 138 Cb 0.04 0.15 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 3g2u h MET 138 CO 0.00 1.17 0.03 -0.07 0.23 0.00 0.00 176.91 178.28 3g2u h LEU 139 N -0.31 -0.08 -0.59 3.39 3.38 -1.15 -1.93 115.31 118.03 3g2u h LEU 139 Ca -0.11 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.00 3g2u h LEU 139 Cb 1.47 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 42.26 3g2u h LEU 139 CO 0.13 -0.00 -0.55 0.50 0.09 0.00 0.00 178.44 178.61 3g2u h LYS 140 N 0.15 -0.24 -1.11 1.13 3.64 -1.11 0.07 116.57 119.09 3g2u h LYS 140 Ca 0.18 0.02 0.34 0.00 -1.27 0.00 0.00 60.65 59.92 3g2u h LYS 140 Cb 0.24 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 31.99 3g2u h LYS 140 CO -0.28 -0.16 0.68 0.87 -2.27 0.00 0.00 179.45 178.30 3g2u h LYS 141 N -0.25 0.28 -0.03 1.90 1.57 -0.79 -0.81 116.57 118.44 3g2u h LYS 141 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3g2u h LYS 141 Cb 0.51 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3g2u h LYS 141 CO -0.69 0.18 0.00 1.04 -0.57 0.00 0.00 179.45 179.41 3g2u n GLN 142 N -4.82 1.85 -1.16 3.15 6.02 -0.76 -4.94 117.38 116.74 3g2u n GLN 142 Ca 0.31 -1.24 -0.05 0.00 -0.01 0.00 0.00 57.00 56.01 3g2u n GLN 142 Cb 1.08 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.84 3g2u n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g2u n GLY 143 N 1.22 0.79 0.08 1.08 0.00 -0.31 -4.90 105.19 103.15 3g2u n GLY 143 Ca 0.18 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 3g2u n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g2u h ILE 144 N 0.00 1.26 -1.95 -0.61 1.08 -1.22 -3.36 117.51 112.71 3g2u h ILE 144 Ca -0.11 -1.63 -0.50 0.00 -0.39 0.00 0.00 64.86 62.23 3g2u h ILE 144 Cb 0.40 2.25 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 3g2u h ILE 144 CO 0.16 0.38 1.43 -0.69 -0.69 0.00 0.00 178.15 178.74 3g2u s VAL 145 N -2.89 3.25 -1.79 1.67 1.01 -1.08 -4.94 120.40 115.63 3g2u s VAL 145 Ca -0.15 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.00 3g2u s VAL 145 Cb -0.01 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3g2u s VAL 145 CO 0.56 -0.55 0.45 0.29 0.00 0.00 0.00 175.10 175.84