#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c4r s ILE 3 N 0.00 4.23 0.38 0.58 1.01 -1.26 -4.80 121.20 121.34 3c4r s ILE 3 Ca 0.00 1.42 -0.25 0.00 0.00 0.00 0.00 60.65 61.82 3c4r s ILE 3 Cb 0.00 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 3c4r s ILE 3 CO 0.00 -0.40 1.06 -0.54 0.00 0.00 0.00 174.94 175.05 3c4r s LYS 4 N 3.94 4.24 0.33 2.79 1.02 -1.26 -4.95 119.74 125.86 3c4r s LYS 4 Ca 0.54 1.56 0.10 0.00 0.02 0.00 0.00 55.97 58.19 3c4r s LYS 4 Cb -0.17 -2.65 0.87 0.00 -0.52 0.00 0.00 37.83 35.37 3c4r s LYS 4 CO 0.20 -0.09 1.77 1.25 -0.92 0.00 0.00 175.35 177.56 3c4r h HIS 5 N 2.71 0.94 0.00 3.18 -0.00 -1.96 -0.16 115.15 119.85 3c4r h HIS 5 Ca -0.48 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 59.85 3c4r h HIS 5 Cb 1.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.34 3c4r h HIS 5 CO 0.58 0.15 -0.33 1.05 -0.00 0.00 0.00 177.93 179.38 3c4r h GLU 6 N 0.62 0.00 -0.26 5.26 9.09 -1.94 -2.21 114.58 125.13 3c4r h GLU 6 Ca 0.59 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.82 3c4r h GLU 6 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 3c4r h GLU 6 CO -0.37 0.33 -0.55 0.45 0.05 0.00 0.00 179.01 178.92 3c4r h HIS 7 N 0.00 1.06 -0.73 2.06 3.86 -1.41 -3.03 115.15 116.96 3c4r h HIS 7 Ca -0.00 -0.39 -0.02 0.00 -1.16 0.00 0.00 60.37 58.80 3c4r h HIS 7 Cb 0.80 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.05 3c4r h HIS 7 CO 0.00 1.21 0.39 0.82 0.86 0.00 0.00 177.93 181.21 3c4r h ILE 8 N 0.61 1.22 0.00 2.45 2.04 -1.27 -2.31 117.51 120.25 3c4r h ILE 8 Ca 0.01 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3c4r h ILE 8 Cb 1.16 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3c4r h ILE 8 CO 0.12 0.25 0.00 -1.14 0.00 0.00 0.00 178.15 177.38 3c4r n ARG 9 N -4.46 0.00 -0.44 2.37 0.63 -0.85 -4.58 116.66 109.33 3c4r n ARG 9 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3c4r n ARG 9 Cb 0.10 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 31.91 3c4r n ARG 9 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3c4r n ALA 11 N 0.61 0.00 0.00 5.13 0.00 -0.87 -4.51 120.51 120.86 3c4r n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3c4r n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3c4r n ALA 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3c4r n ASN 13 N 0.10 0.00 -0.14 0.00 3.02 -1.26 -1.18 115.26 115.80 3c4r n ASN 13 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.47 3c4r n ASN 13 Cb 0.00 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 3c4r n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3c4r h ALA 14 N 0.00 0.87 -0.27 5.41 0.00 -1.95 -0.29 119.26 123.03 3c4r h ALA 14 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3c4r h ALA 14 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3c4r h ALA 14 CO 0.00 0.64 -0.04 2.35 0.00 0.00 0.00 179.25 182.20 3c4r h TRP 15 N 0.81 0.57 0.00 0.00 7.01 -1.53 -3.14 115.95 119.66 3c4r h TRP 15 Ca 0.13 -0.11 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 3c4r h TRP 15 Cb 0.64 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 3c4r h TRP 15 CO 0.04 0.70 -0.27 0.00 -2.79 0.00 0.00 178.44 176.12 3c4r h ALA 16 N 0.79 1.26 -0.26 2.65 0.00 -1.75 -3.34 119.26 118.60 3c4r h ALA 16 Ca 0.07 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3c4r h ALA 16 Cb 0.50 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3c4r h ALA 16 CO 0.02 0.34 -0.10 1.25 0.00 0.00 0.00 179.25 180.76 3c4r h HIS 17 N 0.00 -0.24 0.26 0.00 -0.00 -1.00 0.57 115.15 114.74 3c4r h HIS 17 Ca -0.00 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3c4r h HIS 17 Cb 0.59 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 28.12 3c4r h HIS 17 CO 0.00 -0.16 -0.36 -1.00 -0.00 0.00 0.00 177.93 176.41 3c4r h PRO 18 N -0.06 -0.65 0.00 5.26 0.13 -1.74 -3.35 132.00 131.59 3c4r h PRO 18 Ca 0.13 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3c4r h PRO 18 Cb 0.26 0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.54 3c4r h PRO 18 CO -0.30 -0.43 -0.00 -0.25 -0.23 0.00 0.00 178.00 176.78 3c4r n ASP 19 N -5.45 2.13 0.00 1.44 10.43 -1.23 -5.12 116.55 118.76 3c4r n ASP 19 Ca -0.09 -2.44 0.00 0.00 2.57 0.00 0.00 54.79 54.84 3c4r n ASP 19 Cb 0.36 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.15 3c4r n ASP 19 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3c4r n GLY 20 N -0.88 1.66 0.25 0.44 0.00 0.20 -4.71 105.19 102.16 3c4r n GLY 20 Ca 0.06 -1.89 0.17 0.00 0.00 0.00 0.00 46.02 44.37 3c4r n GLY 20 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3c4r h GLU 21 N 0.00 0.00 -0.00 1.61 5.08 -1.94 -3.20 114.58 116.13 3c4r h GLU 21 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3c4r h GLU 21 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3c4r h GLU 21 CO 0.00 0.00 -0.47 0.87 -1.00 0.00 0.00 179.01 178.41 3c4r h LYS 22 N 0.00 0.00 0.21 2.33 1.57 -1.92 -2.32 116.57 116.44 3c4r h LYS 22 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3c4r h LYS 22 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3c4r h LYS 22 CO 0.00 0.47 -0.10 0.28 -0.57 0.00 0.00 179.45 179.53 3c4r h VAL 23 N 0.00 0.88 -0.78 0.50 2.07 -1.83 -0.68 116.25 116.41 3c4r h VAL 23 Ca -0.00 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.02 3c4r h VAL 23 Cb 0.83 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3c4r h VAL 23 CO 0.06 0.13 0.51 -0.65 0.02 0.00 0.00 177.57 177.64 3c4r h PRO 24 N -0.57 0.76 -0.02 1.57 0.11 -1.74 -0.58 132.00 131.55 3c4r h PRO 24 Ca -0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3c4r h PRO 24 Cb 0.42 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3c4r h PRO 24 CO 0.05 0.51 -0.00 0.00 -0.21 0.00 0.00 178.00 178.34 3c4r h ALA 25 N 1.59 0.02 -0.87 -0.75 0.00 -1.26 0.21 119.26 118.20 3c4r h ALA 25 Ca 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3c4r h ALA 25 Cb 0.32 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3c4r h ALA 25 CO -0.12 -0.30 0.50 0.00 0.00 0.00 0.00 179.25 179.32 3c4r h ALA 26 N 0.66 1.11 -0.23 0.00 0.00 -0.79 -1.17 119.26 118.84 3c4r h ALA 26 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3c4r h ALA 26 Cb 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3c4r h ALA 26 CO 0.00 0.60 0.11 1.49 0.00 0.00 0.00 179.25 181.45 3c4r h GLU 27 N 1.20 0.33 0.00 0.00 4.57 -1.01 -2.20 114.58 117.47 3c4r h GLU 27 Ca 0.31 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 58.37 3c4r h GLU 27 Cb -0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3c4r h GLU 27 CO -0.05 0.33 -0.36 0.82 -1.18 0.00 0.00 179.01 178.57 3c4r h ILE 28 N 0.24 1.03 0.53 2.32 2.04 -0.70 -2.81 117.51 120.17 3c4r h ILE 28 Ca 0.08 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 3c4r h ILE 28 Cb 0.11 1.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3c4r h ILE 28 CO -0.01 0.35 -0.26 0.74 0.00 0.00 0.00 178.15 178.97 3c4r h THR 29 N 0.00 0.00 -0.86 -0.27 2.02 -1.03 0.18 112.91 112.94 3c4r h THR 29 Ca -0.00 -0.40 0.23 0.00 0.77 0.00 0.00 66.41 67.00 3c4r h THR 29 Cb 0.73 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.01 3c4r h THR 29 CO 0.05 0.00 0.23 -0.09 0.37 0.00 0.00 175.52 176.08 3c4r h ARG 30 N -1.12 0.22 -0.37 6.66 2.43 -1.42 0.74 114.38 121.53 3c4r h ARG 30 Ca -0.07 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 3c4r h ARG 30 Cb 0.55 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3c4r h ARG 30 CO 0.12 0.14 -0.28 0.00 -1.51 0.00 0.00 179.97 178.45 3c4r h ALA 31 N 1.76 0.82 -0.41 2.80 0.00 -1.51 -2.69 119.26 120.03 3c4r h ALA 31 Ca 0.54 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3c4r h ALA 31 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3c4r h ALA 31 CO -0.63 0.64 0.21 -0.92 0.00 0.00 0.00 179.25 178.54 3c4r h TYR 32 N 0.66 0.38 -0.02 0.00 3.20 0.25 -2.25 116.97 119.19 3c4r h TYR 32 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3c4r h TYR 32 Cb 0.80 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.96 3c4r h TYR 32 CO 0.04 0.20 0.00 1.19 -1.64 0.00 0.00 178.16 177.95 3c4r n PHE 33 N -4.92 0.02 -0.09 -3.82 0.99 0.38 -3.09 117.46 106.94 3c4r n PHE 33 Ca 0.02 -0.01 -0.12 0.00 -0.00 0.00 0.00 57.45 57.34 3c4r n PHE 33 Cb 0.10 0.00 -0.15 0.00 -1.00 0.00 0.00 39.48 38.43 3c4r n PHE 33 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3c4r n GLU 34 N -0.59 0.68 -0.14 -1.08 2.13 -0.89 -3.90 120.64 116.85 3c4r n GLU 34 Ca 0.19 0.07 0.08 0.00 0.66 0.00 0.00 57.16 58.16 3c4r n GLU 34 Cb 0.17 -1.56 0.24 0.00 0.27 0.00 0.00 31.44 30.56 3c4r n GLU 34 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3c4r n LEU 35 N -2.91 1.85 -1.95 4.31 4.77 -0.96 -5.11 117.00 116.99 3c4r n LEU 35 Ca -0.34 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 3c4r n LEU 35 Cb 1.11 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3c4r n LEU 35 CO 0.40 0.43 -0.22 0.61 -1.33 0.00 0.00 177.39 177.29 3c4r n GLY 36 N 1.10 -2.47 0.00 -0.72 0.00 -1.18 -5.09 105.19 96.84 3c4r n GLY 36 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3c4r n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3c4r n THR 38 N 1.82 0.00 -4.38 2.61 -2.24 -1.26 -5.06 114.28 105.77 3c4r n THR 38 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3c4r n THR 38 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 3c4r n THR 38 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3c4r s PHE 39 N 0.00 1.06 1.10 4.78 5.36 -1.26 -3.70 117.98 125.32 3c4r s PHE 39 Ca 0.00 -0.33 -0.18 0.00 -0.96 0.00 0.00 56.93 55.46 3c4r s PHE 39 Cb 0.00 -0.82 0.25 0.00 -0.34 0.00 0.00 43.02 42.11 3c4r s PHE 39 CO 0.00 -0.20 1.17 -1.25 -1.46 0.00 0.00 175.22 173.48 3c4r s PRO 40 N 0.65 -0.46 0.07 10.12 0.04 -1.26 -4.64 135.00 139.51 3c4r s PRO 40 Ca -0.11 -0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.51 3c4r s PRO 40 Cb -0.14 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 3c4r s PRO 40 CO 0.02 -3.19 1.01 -1.21 0.04 0.00 0.00 177.00 173.66 3c4r s GLU 41 N -5.52 4.60 0.44 4.56 2.02 -1.24 -5.05 118.70 118.50 3c4r s GLU 41 Ca 0.71 1.50 0.04 0.00 0.02 0.00 0.00 54.97 57.24 3c4r s GLU 41 Cb -0.09 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.70 3c4r s GLU 41 CO 0.55 0.03 0.03 -0.51 0.02 0.00 0.00 175.26 175.38 3c4r s LEU 42 N 0.51 2.46 -0.17 1.80 2.01 -1.26 -5.08 118.68 118.95 3c4r s LEU 42 Ca 0.51 -1.51 -0.06 0.00 0.01 0.00 0.00 54.13 53.07 3c4r s LEU 42 Cb -0.24 -0.68 -0.04 0.00 0.01 0.00 0.00 46.19 45.25 3c4r s LEU 42 CO 0.29 -0.68 0.04 -0.31 1.01 0.00 0.00 176.35 176.71 3c4r s TYR 43 N -2.91 3.22 0.99 0.29 1.51 -1.26 -5.09 117.35 114.11 3c4r s TYR 43 Ca 0.23 0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 56.22 3c4r s TYR 43 Cb 0.06 -2.03 0.19 0.00 -0.11 0.00 0.00 41.96 40.06 3c4r s TYR 43 CO 0.12 0.17 1.09 0.34 -1.11 0.00 0.00 175.55 176.15 3c4r s ASP 44 N 0.22 2.42 0.00 2.29 2.15 -1.26 -4.83 116.67 117.67 3c4r s ASP 44 Ca 0.03 1.74 0.07 0.00 0.43 0.00 0.00 52.55 54.82 3c4r s ASP 44 Cb -0.13 -2.36 0.40 0.00 -0.30 0.00 0.00 42.92 40.54 3c4r s ASP 44 CO 0.01 -3.34 0.95 -0.67 -0.17 0.00 0.00 175.17 171.95 3c4r n ASP 45 N -4.36 0.00 0.00 -0.34 4.64 -1.26 -3.40 116.55 111.83 3c4r n ASP 45 Ca 0.07 -1.05 0.00 0.00 -1.38 0.00 0.00 54.79 52.44 3c4r n ASP 45 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.62 3c4r n ASP 45 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3c4r n SER 46 N -0.67 0.00 -3.72 1.67 2.88 -1.26 -4.81 113.62 107.71 3c4r n SER 46 Ca 0.05 0.56 -0.44 0.00 -1.33 0.00 0.00 58.87 57.71 3c4r n SER 46 Cb 0.02 -0.13 -0.04 0.00 -0.75 0.00 0.00 64.21 63.31 3c4r n SER 46 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3c4r n HIS 47 N -0.90 -0.06 -0.07 0.66 8.25 -1.22 -4.86 115.22 117.02 3c4r n HIS 47 Ca 0.00 0.84 -0.08 0.00 -0.26 0.00 0.00 57.72 58.23 3c4r n HIS 47 Cb 0.00 -1.68 -0.01 0.00 1.12 0.00 0.00 29.99 29.42 3c4r n HIS 47 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3c4r h PRO 48 N 1.46 0.13 -2.30 -0.41 0.13 -1.92 -2.84 132.00 126.26 3c4r h PRO 48 Ca -0.31 -0.01 -0.79 0.00 -0.87 0.00 0.00 66.00 64.02 3c4r h PRO 48 Cb 1.20 -0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.06 3c4r h PRO 48 CO 0.50 0.09 1.28 -0.85 -0.23 0.00 0.00 178.00 178.79 3c4r n GLU 49 N -5.10 5.11 0.23 0.86 -0.00 -1.26 -4.80 120.64 115.69 3c4r n GLU 49 Ca -0.01 -4.36 -0.09 0.00 -0.00 0.00 0.00 57.16 52.70 3c4r n GLU 49 Cb 0.12 -2.48 -0.04 0.00 -0.00 0.00 0.00 31.44 29.03 3c4r n GLU 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3c4r h ALA 50 N 4.19 -0.97 -0.28 -1.84 0.00 -1.78 -2.63 119.26 115.96 3c4r h ALA 50 Ca 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3c4r h ALA 50 Cb 0.31 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3c4r h ALA 50 CO 1.24 -0.93 0.00 -0.11 0.00 0.00 0.00 179.25 179.46 3c4r n LEU 51 N -3.91 0.00 -0.33 0.00 7.94 -1.26 -1.68 117.00 117.77 3c4r n LEU 51 Ca -0.07 0.95 0.25 0.00 -1.11 0.00 0.00 56.01 56.03 3c4r n LEU 51 Cb 0.24 -0.45 0.49 0.00 0.53 0.00 0.00 43.42 44.22 3c4r n LEU 51 CO 0.18 -0.45 1.03 0.00 -1.11 0.00 0.00 177.39 177.04 3c4r h ALA 52 N -1.59 1.88 -0.03 1.96 0.00 -1.96 0.37 119.26 119.89 3c4r h ALA 52 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.99 3c4r h ALA 52 Cb 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3c4r h ALA 52 CO 0.00 -0.74 -0.73 -0.09 0.00 0.00 0.00 179.25 177.68 3c4r h ARG 53 N 0.12 0.21 -0.18 0.00 2.43 -1.26 -2.71 114.38 112.98 3c4r h ARG 53 Ca 0.75 -0.18 -0.21 0.00 -0.81 0.00 0.00 59.98 59.53 3c4r h ARG 53 Cb 1.83 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.43 3c4r h ARG 53 CO -0.73 0.85 -0.72 -0.91 -1.51 0.00 0.00 179.97 176.95 3c4r h ASN 54 N 0.14 0.91 -0.04 -3.80 2.35 0.54 -2.71 115.58 112.97 3c4r h ASN 54 Ca -0.02 -0.57 0.03 0.00 -0.55 0.00 0.00 56.30 55.19 3c4r h ASN 54 Cb 1.29 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 3c4r h ASN 54 CO 0.11 1.36 -0.12 0.74 -1.65 0.00 0.00 177.43 177.87 3c4r h THR 55 N 0.55 0.68 0.09 2.81 2.02 -0.87 -0.62 112.91 117.56 3c4r h THR 55 Ca -0.03 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 3c4r h THR 55 Cb 1.33 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 3c4r h THR 55 CO 0.15 0.00 -0.26 -0.61 0.37 0.00 0.00 175.52 175.17 3c4r h GLN 56 N -0.19 -0.43 -0.24 6.66 -0.00 -1.49 -2.69 115.11 116.73 3c4r h GLN 56 Ca 0.06 0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.77 3c4r h GLN 56 Cb 0.27 0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.81 3c4r h GLN 56 CO -0.16 -0.29 0.03 -0.22 0.00 0.00 0.00 178.83 178.20 3c4r h LYS 57 N -0.45 0.11 0.12 1.69 1.63 -1.23 -2.00 116.57 116.44 3c4r h LYS 57 Ca 0.04 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3c4r h LYS 57 Cb 0.49 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 3c4r h LYS 57 CO -0.17 0.07 -0.06 0.82 -3.45 0.00 0.00 179.45 176.67 3c4r h ILE 58 N 0.11 1.02 0.00 2.00 2.04 -1.06 -2.74 117.51 118.89 3c4r h ILE 58 Ca 0.11 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3c4r h ILE 58 Cb 0.12 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3c4r h ILE 58 CO -0.16 0.13 0.00 -0.26 0.00 0.00 0.00 178.15 177.85 3c4r h PHE 59 N -0.40 0.00 -0.08 1.37 -1.00 -1.51 -1.23 116.94 114.09 3c4r h PHE 59 Ca -0.02 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.60 3c4r h PHE 59 Cb 0.33 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 3c4r h PHE 59 CO 0.01 0.00 -0.66 -0.09 -1.61 0.00 0.00 178.31 175.96 3c4r h ARG 60 N 0.00 0.32 -0.16 1.51 2.43 -1.22 -1.19 114.38 116.07 3c4r h ARG 60 Ca 0.00 -0.24 -0.18 0.00 -0.81 0.00 0.00 59.98 58.76 3c4r h ARG 60 Cb 0.47 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3c4r h ARG 60 CO 0.00 0.86 -0.59 -1.49 -1.51 0.00 0.00 179.97 177.24 3c4r h TRP 61 N 0.23 0.90 -0.03 2.20 6.55 -0.95 -3.01 115.95 121.85 3c4r h TRP 61 Ca -0.02 -0.38 0.00 0.00 0.95 0.00 0.00 58.89 59.45 3c4r h TRP 61 Cb 1.20 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 29.35 3c4r h TRP 61 CO 0.03 1.18 0.02 0.28 -1.05 0.00 0.00 178.44 178.90 3c4r h VAL 62 N 0.37 1.00 0.00 1.49 2.07 -1.29 -2.79 116.25 117.10 3c4r h VAL 62 Ca -0.03 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3c4r h VAL 62 Cb 1.22 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3c4r h VAL 62 CO 0.12 0.01 -0.02 1.05 0.02 0.00 0.00 177.57 178.75 3c4r h GLU 63 N 0.03 0.00 -6.38 1.57 4.11 -1.27 -3.45 114.58 109.20 3c4r h GLU 63 Ca 0.01 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.99 3c4r h GLU 63 Cb -0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3c4r h GLU 63 CO -0.01 0.02 -0.30 0.15 0.07 0.00 0.00 179.01 178.94 3c4r s LYS 64 N -4.12 3.22 -0.08 1.06 1.02 -1.05 -5.03 119.74 114.77 3c4r s LYS 64 Ca -0.04 -0.78 0.11 0.00 0.02 0.00 0.00 55.97 55.28 3c4r s LYS 64 Cb 0.12 -2.77 0.17 0.00 -0.52 0.00 0.00 37.83 34.83 3c4r s LYS 64 CO 0.47 0.09 1.07 -0.25 -0.92 0.00 0.00 175.35 175.82 3c4r n ASP 65 N -1.69 2.00 -4.78 2.83 8.00 -1.26 -4.69 116.55 116.96 3c4r n ASP 65 Ca -0.02 -2.60 -0.37 0.00 0.71 0.00 0.00 54.79 52.51 3c4r n ASP 65 Cb 0.58 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 3c4r n ASP 65 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3c4r s THR 66 N -1.99 3.82 0.59 -3.53 -1.32 -1.26 -4.86 115.64 107.09 3c4r s THR 66 Ca 0.19 1.49 0.29 0.00 -1.21 0.00 0.00 61.69 62.45 3c4r s THR 66 Cb 0.16 -3.82 0.41 0.00 -1.51 0.00 0.00 72.50 67.74 3c4r s THR 66 CO 0.02 0.10 1.74 1.55 -2.21 0.00 0.00 174.62 175.82 3c4r h PRO 67 N 2.90 0.00 0.07 7.08 0.13 -1.99 -0.03 132.00 140.15 3c4r h PRO 67 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.39 3c4r h PRO 67 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 3c4r h PRO 67 CO 0.64 0.00 -1.12 -0.44 -0.23 0.00 0.00 178.00 176.85 3c4r h ASP 68 N 0.00 0.69 -0.26 1.44 3.32 -1.99 -1.10 116.42 118.52 3c4r h ASP 68 Ca 0.32 -0.61 -0.10 0.00 0.02 0.00 0.00 57.03 56.66 3c4r h ASP 68 Cb 1.74 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.07 3c4r h ASP 68 CO -0.00 1.43 -0.24 0.00 -1.72 0.00 0.00 179.24 178.70 3c4r h ALA 69 N 0.51 0.38 -0.02 3.45 0.00 -1.34 -2.62 119.26 119.62 3c4r h ALA 69 Ca -0.14 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.41 3c4r h ALA 69 Cb 1.79 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3c4r h ALA 69 CO 0.20 0.36 -0.08 0.28 0.00 0.00 0.00 179.25 180.01 3c4r h VAL 70 N 0.35 0.80 -0.70 0.00 2.07 -1.35 -2.11 116.25 115.30 3c4r h VAL 70 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 3c4r h VAL 70 Cb 0.80 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 3c4r h VAL 70 CO 0.06 0.00 0.34 -0.08 0.02 0.00 0.00 177.57 177.91 3c4r h GLU 71 N -0.12 0.55 -0.01 1.57 4.81 -1.15 -1.50 114.58 118.73 3c4r h GLU 71 Ca 0.04 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3c4r h GLU 71 Cb 0.17 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3c4r h GLU 71 CO -0.10 0.36 -0.53 0.87 -0.73 0.00 0.00 179.01 178.88 3c4r h LYS 72 N 0.57 0.02 0.00 1.92 1.57 -1.21 -2.20 116.57 117.24 3c4r h LYS 72 Ca 0.35 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.92 3c4r h LYS 72 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3c4r h LYS 72 CO -0.28 0.55 -0.87 0.82 -0.57 0.00 0.00 179.45 179.10 3c4r h ILE 73 N 0.02 1.49 -0.51 1.86 1.08 -0.85 -2.09 117.51 118.50 3c4r h ILE 73 Ca -0.00 -2.60 -0.04 0.00 -0.39 0.00 0.00 64.86 61.83 3c4r h ILE 73 Cb 0.95 2.45 -0.02 0.00 -3.07 0.00 0.00 36.82 37.13 3c4r h ILE 73 CO 0.07 0.76 0.17 1.56 -0.69 0.00 0.00 178.15 180.02 3c4r h GLN 74 N 0.12 0.79 0.00 2.37 1.08 -1.08 -0.28 115.11 118.11 3c4r h GLN 74 Ca -0.04 -0.16 -0.07 0.00 -1.45 0.00 0.00 58.65 56.92 3c4r h GLN 74 Cb 1.50 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 3c4r h GLN 74 CO 0.13 0.72 -0.34 0.00 -0.95 0.00 0.00 178.83 178.39 3c4r h ALA 75 N 1.03 1.30 0.00 3.87 0.00 -1.37 -2.50 119.26 121.59 3c4r h ALA 75 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3c4r h ALA 75 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3c4r h ALA 75 CO -0.01 0.43 -0.14 -0.11 0.00 0.00 0.00 179.25 179.42 3c4r n LEU 76 N -3.93 0.61 -0.29 0.00 7.94 -0.75 -4.13 117.00 116.45 3c4r n LEU 76 Ca -0.02 0.47 0.12 0.00 -1.11 0.00 0.00 56.01 55.47 3c4r n LEU 76 Cb 0.40 -0.33 0.27 0.00 0.53 0.00 0.00 43.42 44.30 3c4r n LEU 76 CO 0.37 -0.10 0.95 -0.07 -1.11 0.00 0.00 177.39 177.43 3c4r h LEU 77 N 0.00 0.03 -1.04 -1.96 3.38 -0.60 -0.34 115.31 114.79 3c4r h LEU 77 Ca 0.00 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3c4r h LEU 77 Cb 0.68 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 3c4r h LEU 77 CO 0.00 -0.12 0.64 -0.65 0.09 0.00 0.00 178.44 178.39 3c4r h PRO 78 N 0.24 1.09 0.00 1.13 0.11 -1.79 0.13 132.00 132.91 3c4r h PRO 78 Ca 0.53 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.41 3c4r h PRO 78 Cb 1.04 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3c4r h PRO 78 CO -0.62 0.72 -0.76 0.00 -0.21 0.00 0.00 178.00 177.13 3c4r h ALA 79 N 1.48 0.70 0.22 -0.75 0.00 -1.39 -2.91 119.26 116.61 3c4r h ALA 79 Ca 0.43 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3c4r h ALA 79 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3c4r h ALA 79 CO -0.18 0.95 -0.10 0.82 0.00 0.00 0.00 179.25 180.74 3c4r h ILE 80 N 0.00 0.82 -0.69 0.00 2.04 -0.51 -3.01 117.51 116.15 3c4r h ILE 80 Ca -0.01 -0.87 0.18 0.00 1.00 0.00 0.00 64.86 65.16 3c4r h ILE 80 Cb 1.38 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 3c4r h ILE 80 CO 0.10 0.17 0.48 -0.08 0.00 0.00 0.00 178.15 178.83 3c4r h GLU 81 N -0.77 0.13 0.00 2.37 4.22 -0.81 -2.04 114.58 117.68 3c4r h GLU 81 Ca -0.03 -0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.25 3c4r h GLU 81 Cb 0.51 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3c4r h GLU 81 CO 0.05 0.09 -0.71 -0.22 -2.18 0.00 0.00 179.01 176.03 3c4r h LYS 82 N 0.14 0.00 -2.37 1.92 3.64 -1.49 -3.48 116.57 114.93 3c4r h LYS 82 Ca 0.33 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 59.02 3c4r h LYS 82 Cb 1.13 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 32.60 3c4r h LYS 82 CO -0.05 0.71 0.13 -1.13 -2.27 0.00 0.00 179.45 176.85 3c4r n SER 83 N -3.41 5.58 -4.63 4.20 3.41 -0.77 -5.09 113.62 112.91 3c4r n SER 83 Ca 0.00 -3.60 -0.35 0.00 -0.26 0.00 0.00 58.87 54.66 3c4r n SER 83 Cb 0.77 -0.89 -0.10 0.00 -0.26 0.00 0.00 64.21 63.74 3c4r n SER 83 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3c4r s PRO 85 N -3.45 4.00 0.35 4.33 0.02 -1.26 -4.97 135.00 134.02 3c4r s PRO 85 Ca 0.41 -0.32 0.17 0.00 0.02 0.00 0.00 61.00 61.29 3c4r s PRO 85 Cb 0.19 -3.37 1.20 0.00 0.02 0.00 0.00 34.50 32.54 3c4r s PRO 85 CO -0.07 0.15 1.62 -1.35 -0.33 0.00 0.00 177.00 177.02 3c4r h PRO 86 N 7.16 0.17 -0.43 5.54 0.11 -1.99 0.49 132.00 143.05 3c4r h PRO 86 Ca -0.38 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 3c4r h PRO 86 Cb 1.17 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3c4r h PRO 86 CO 0.68 0.11 0.13 1.25 -0.21 0.00 0.00 178.00 179.96 3c4r h LEU 87 N 0.17 0.63 -1.14 2.35 6.46 -2.03 0.23 115.31 121.99 3c4r h LEU 87 Ca 0.78 -0.21 -0.07 0.00 -0.12 0.00 0.00 57.88 58.27 3c4r h LEU 87 Cb 1.93 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.67 3c4r h LEU 87 CO -0.68 0.67 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.63 3c4r h LEU 88 N 0.56 0.46 -0.28 2.25 3.38 -1.34 -0.43 115.31 119.90 3c4r h LEU 88 Ca 0.14 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3c4r h LEU 88 Cb 0.27 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3c4r h LEU 88 CO -0.00 0.61 -0.07 0.58 0.09 0.00 0.00 178.44 179.64 3c4r h VAL 89 N 0.44 1.28 -0.03 1.22 2.07 -0.94 -3.04 116.25 117.26 3c4r h VAL 89 Ca 0.09 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3c4r h VAL 89 Cb 0.46 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3c4r h VAL 89 CO 0.03 0.35 -0.11 0.00 0.02 0.00 0.00 177.57 177.86 3c4r h ALA 90 N 0.78 -0.10 0.00 1.67 0.00 -0.53 -1.03 119.26 120.06 3c4r h ALA 90 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3c4r h ALA 90 Cb 0.55 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3c4r h ALA 90 CO 0.03 -0.59 0.00 0.54 0.00 0.00 0.00 179.25 179.23 3c4r n ARG 91 N -5.24 0.00 0.00 0.00 1.74 -0.21 -1.30 116.66 111.65 3c4r n ARG 91 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3c4r n ARG 91 Cb 0.16 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 3c4r n ARG 91 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3c4r n ARG 93 N 0.69 0.00 0.23 5.56 1.74 -0.39 -4.07 116.66 120.42 3c4r n ARG 93 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 3c4r n ARG 93 Cb 0.00 0.00 0.54 0.00 -1.02 0.00 0.00 32.46 31.98 3c4r n ARG 93 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3c4r h SER 94 N 0.00 0.00 1.16 0.55 4.64 -1.43 0.93 113.55 119.40 3c4r h SER 94 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3c4r h SER 94 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3c4r h SER 94 CO 0.00 0.21 -0.03 0.45 -0.87 0.00 0.00 176.83 176.59 3c4r h HIS 95 N 0.00 0.00 0.00 4.77 3.86 -1.87 -3.21 115.15 118.70 3c4r h HIS 95 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3c4r h HIS 95 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3c4r h HIS 95 CO 0.00 0.03 -0.89 0.43 0.86 0.00 0.00 177.93 178.35 3c4r n SER 96 N -3.13 1.39 -3.98 2.45 7.64 -0.84 -5.01 113.62 112.15 3c4r n SER 96 Ca 0.01 -0.42 -0.22 0.00 1.01 0.00 0.00 58.87 59.25 3c4r n SER 96 Cb 0.36 1.20 -0.16 0.00 -1.01 0.00 0.00 64.21 64.59 3c4r n SER 96 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3c4r s SER 97 N -2.47 1.33 0.37 6.43 0.15 0.26 -5.02 113.70 114.75 3c4r s SER 97 Ca 0.01 -0.21 0.10 0.00 0.70 0.00 0.00 55.95 56.55 3c4r s SER 97 Cb 0.07 -0.53 0.70 0.00 -1.71 0.00 0.00 66.02 64.56 3c4r s SER 97 CO 0.42 0.02 1.84 0.00 1.20 0.00 0.00 173.24 176.73 3c4r h ALA 98 N 6.79 1.39 0.27 5.45 0.00 -1.87 -2.23 119.26 129.06 3c4r h ALA 98 Ca -0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 3c4r h ALA 98 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3c4r h ALA 98 CO 0.48 0.43 -0.13 -0.92 0.00 0.00 0.00 179.25 179.11 3c4r h TYR 99 N 0.13 -0.34 0.00 0.00 3.20 -1.94 -2.51 116.97 115.52 3c4r h TYR 99 Ca 0.02 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3c4r h TYR 99 Cb 0.56 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3c4r h TYR 99 CO 0.01 -0.01 -0.24 0.74 -1.64 0.00 0.00 178.16 177.02 3c4r h PHE 100 N -0.70 0.00 -0.08 -3.82 0.04 -1.84 0.37 116.94 110.91 3c4r h PHE 100 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3c4r h PHE 100 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 3c4r h PHE 100 CO 0.02 0.24 0.05 0.00 -0.60 0.00 0.00 178.31 178.03 3c4r h ARG 101 N 0.00 0.11 -0.56 1.51 3.08 -1.36 0.11 114.38 117.28 3c4r h ARG 101 Ca -0.00 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3c4r h ARG 101 Cb 0.46 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3c4r h ARG 101 CO 0.03 0.12 0.03 1.49 -1.07 0.00 0.00 179.97 180.57 3c4r h GLU 102 N 0.08 0.96 0.19 0.04 4.81 -0.98 0.92 114.58 120.59 3c4r h GLU 102 Ca 0.03 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3c4r h GLU 102 Cb 0.03 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3c4r h GLU 102 CO -0.01 0.95 -0.09 1.25 -0.73 0.00 0.00 179.01 180.38 3c4r h LEU 103 N 0.84 -0.21 -0.73 1.64 6.46 -0.71 0.86 115.31 123.47 3c4r h LEU 103 Ca 0.16 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.85 3c4r h LEU 103 Cb 0.50 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 3c4r h LEU 103 CO 0.02 -0.15 0.09 1.62 -0.62 0.00 0.00 178.44 179.40 3c4r h VAL 104 N -0.25 1.26 -0.75 1.05 3.04 -0.70 -2.66 116.25 117.23 3c4r h VAL 104 Ca -0.03 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 3c4r h VAL 104 Cb 0.19 0.67 -0.04 0.00 -2.01 0.00 0.00 31.29 30.10 3c4r h VAL 104 CO 0.04 0.39 0.48 -0.33 -1.01 0.00 0.00 177.57 177.14 3c4r h GLU 105 N 0.99 1.00 -0.10 4.17 5.08 -0.48 -1.60 114.58 123.64 3c4r h GLU 105 Ca 0.20 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 3c4r h GLU 105 Cb 0.45 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3c4r h GLU 105 CO 0.01 0.67 -0.45 1.15 -1.00 0.00 0.00 179.01 179.40 3c4r h THR 106 N 1.03 1.32 -0.13 1.13 2.02 -0.49 -2.09 112.91 115.69 3c4r h THR 106 Ca 0.27 -1.61 -0.18 0.00 0.77 0.00 0.00 66.41 65.67 3c4r h THR 106 Cb -0.09 1.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3c4r h THR 106 CO -0.06 0.48 -0.65 0.08 0.37 0.00 0.00 175.52 175.74 3c4r h ARG 107 N 0.19 0.50 -0.63 6.66 -0.00 -1.18 -0.88 114.38 119.04 3c4r h ARG 107 Ca 0.01 -0.36 -0.01 0.00 -0.00 0.00 0.00 59.98 59.62 3c4r h ARG 107 Cb 0.87 0.06 -0.03 0.00 -0.00 0.00 0.00 29.97 30.87 3c4r h ARG 107 CO 0.07 0.98 0.36 0.93 -0.00 0.00 0.00 179.97 182.31 3c4r h GLU 108 N 0.36 0.86 -0.32 0.08 4.39 -1.10 -0.04 114.58 118.82 3c4r h GLU 108 Ca -0.02 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.42 3c4r h GLU 108 Cb 1.21 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3c4r h GLU 108 CO 0.12 0.63 -0.50 -0.09 -1.16 0.00 0.00 179.01 178.00 3c4r h ARG 109 N 0.88 0.90 -0.42 2.33 2.43 -0.95 -1.49 114.38 118.06 3c4r h ARG 109 Ca 0.23 -0.54 -0.04 0.00 -0.81 0.00 0.00 59.98 58.82 3c4r h ARG 109 Cb 0.01 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3c4r h ARG 109 CO -0.04 1.19 0.11 -0.07 -1.51 0.00 0.00 179.97 179.64 3c4r h LEU 110 N 0.70 0.57 -0.45 3.80 3.38 -0.42 -1.70 115.31 121.19 3c4r h LEU 110 Ca 0.03 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 3c4r h LEU 110 Cb 1.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3c4r h LEU 110 CO 0.12 0.56 -0.68 0.58 0.09 0.00 0.00 178.44 179.11 3c4r h VAL 111 N 0.60 1.36 -0.46 1.22 2.07 -0.87 -2.07 116.25 118.12 3c4r h VAL 111 Ca 0.14 -2.04 -0.13 0.00 0.82 0.00 0.00 66.70 65.49 3c4r h VAL 111 Cb 0.22 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 3c4r h VAL 111 CO -0.00 0.62 -0.23 0.03 0.02 0.00 0.00 177.57 178.00 3c4r h ARG 112 N 0.31 0.96 -0.22 1.57 3.08 -0.89 -1.63 114.38 117.57 3c4r h ARG 112 Ca -0.02 -0.43 0.03 0.00 0.07 0.00 0.00 59.98 59.64 3c4r h ARG 112 Cb 1.24 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3c4r h ARG 112 CO 0.12 1.09 0.02 -0.44 -1.07 0.00 0.00 179.97 179.69 3c4r h ASP 113 N 0.81 -0.05 -0.63 7.04 3.32 -1.23 0.13 116.42 125.82 3c4r h ASP 113 Ca 0.10 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.31 3c4r h ASP 113 Cb 0.81 0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.34 3c4r h ASP 113 CO 0.07 0.01 0.16 0.00 -1.72 0.00 0.00 179.24 177.75 3c4r h ALA 114 N 1.18 0.77 0.00 3.45 0.00 -1.11 0.12 119.26 123.67 3c4r h ALA 114 Ca 0.10 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3c4r h ALA 114 Cb 0.12 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3c4r h ALA 114 CO -0.16 -0.29 -0.30 -0.44 0.00 0.00 0.00 179.25 178.07 3c4r h ASP 115 N 0.29 0.00 0.47 0.00 3.32 -0.54 -2.40 116.42 117.56 3c4r h ASP 115 Ca 0.33 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 3c4r h ASP 115 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3c4r h ASP 115 CO -0.40 0.30 -0.51 0.44 -1.72 0.00 0.00 179.24 177.34 3c4r h ASP 116 N 0.00 0.06 -0.02 6.45 3.32 0.18 -0.88 116.42 125.53 3c4r h ASP 116 Ca -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 3c4r h ASP 116 Cb 0.78 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3c4r h ASP 116 CO 0.04 0.56 0.01 -0.26 -1.72 0.00 0.00 179.24 177.87 3c4r h PHE 117 N 0.04 0.03 -0.54 4.55 0.05 -0.67 -1.29 116.94 119.11 3c4r h PHE 117 Ca -0.00 -0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.82 3c4r h PHE 117 Cb 0.92 -0.01 -0.04 0.00 2.00 0.00 0.00 35.95 38.82 3c4r h PHE 117 CO 0.00 0.18 0.30 0.28 -0.18 0.00 0.00 178.31 178.90 3c4r h VAL 118 N -0.13 1.01 -0.61 -0.55 2.07 -1.28 -0.03 116.25 116.72 3c4r h VAL 118 Ca 0.01 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.42 3c4r h VAL 118 Cb 0.17 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.23 3c4r h VAL 118 CO -0.00 0.11 0.23 0.00 0.02 0.00 0.00 177.57 177.93 3c4r h ALA 119 N 1.26 0.78 -0.20 1.67 0.00 -0.92 -0.59 119.26 121.27 3c4r h ALA 119 Ca 0.23 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 3c4r h ALA 119 Cb 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3c4r h ALA 119 CO -0.13 -0.19 -0.09 0.28 0.00 0.00 0.00 179.25 179.13 3c4r h VAL 120 N 0.41 1.30 -0.07 0.00 2.07 -0.55 0.31 116.25 119.73 3c4r h VAL 120 Ca 0.30 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.71 3c4r h VAL 120 Cb 0.37 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3c4r h VAL 120 CO -0.30 0.34 0.07 0.00 0.02 0.00 0.00 177.57 177.70 3c4r h ALA 121 N 0.70 1.75 0.06 1.67 0.00 -0.50 -2.13 119.26 120.82 3c4r h ALA 121 Ca 0.05 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.59 3c4r h ALA 121 Cb 0.57 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3c4r h ALA 121 CO 0.03 -0.10 -2.16 0.44 0.00 0.00 0.00 179.25 177.45 3c4r n ILE 122 N -4.02 1.64 0.00 0.00 -6.64 -0.28 -3.84 119.36 106.22 3c4r n ILE 122 Ca -0.01 -0.66 0.00 0.00 -1.77 0.00 0.00 62.75 60.31 3c4r n ILE 122 Cb 0.17 -1.47 0.00 0.00 -1.44 0.00 0.00 39.64 36.90 3c4r n ILE 122 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3c4r n ALA 123 N -3.03 0.83 0.30 -1.28 0.00 0.11 0.11 120.51 117.55 3c4r n ALA 123 Ca -0.35 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.20 3c4r n ALA 123 Cb 1.04 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3c4r n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c4r n GLY 124 N -1.27 -1.31 0.27 0.00 0.00 -0.93 -3.82 105.19 98.13 3c4r n GLY 124 Ca 0.00 -0.33 0.18 0.00 0.00 0.00 0.00 46.02 45.87 3c4r n GLY 124 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3c4r h PHE 125 N 0.00 0.00 -0.79 1.61 -5.15 0.54 -1.94 116.94 111.21 3c4r h PHE 125 Ca 0.00 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 57.86 3c4r h PHE 125 Cb 0.88 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.98 3c4r h PHE 125 CO 0.00 0.00 0.44 -0.91 -2.00 0.00 0.00 178.31 175.84 3c4r h ASN 126 N 0.00 0.62 -0.02 -0.68 2.35 -1.69 -3.53 115.58 112.63 3c4r h ASN 126 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3c4r h ASN 126 Cb 0.12 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3c4r h ASN 126 CO 0.00 0.35 0.00 0.00 -1.65 0.00 0.00 177.43 176.13