#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 4.06 0.33 -0.18 1.01 -1.26 -4.94 121.20 120.23 3c4r s ILE 3 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.11 3c4r s ILE 3 Cb 0.00 -2.87 -0.12 0.00 0.01 0.00 0.00 42.46 39.47 3c4r s ILE 3 CO 0.00 0.38 1.31 0.29 0.00 0.00 0.00 174.94 176.92 3c4r n LYS 4 N 4.67 2.15 -0.35 2.79 5.02 -1.26 -4.87 118.16 126.31 3c4r n LYS 4 Ca -0.17 0.75 0.11 0.00 -2.02 0.00 0.00 58.31 56.99 3c4r n LYS 4 Cb 0.51 -2.35 0.29 0.00 -0.02 0.00 0.00 35.03 33.47 3c4r n LYS 4 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3c4r h HIS 5 N 2.71 1.07 -0.68 2.13 -0.00 -1.98 -1.52 115.15 116.89 3c4r h HIS 5 Ca -0.46 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 59.99 3c4r h HIS 5 Cb 1.28 -0.33 -0.05 0.00 -0.00 0.00 0.00 27.41 28.31 3c4r h HIS 5 CO 0.51 0.28 0.40 1.05 -0.00 0.00 0.00 177.93 180.17 3c4r h GLU 6 N 0.81 0.72 -0.35 5.26 9.09 -1.95 -2.34 114.58 125.82 3c4r h GLU 6 Ca 0.55 -0.04 -0.06 0.00 0.05 0.00 0.00 59.36 59.86 3c4r h GLU 6 Cb 0.78 -0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 27.70 3c4r h GLU 6 CO -0.35 0.48 -0.04 0.45 0.05 0.00 0.00 179.01 179.59 3c4r h HIS 7 N 0.74 0.59 -0.22 2.06 3.86 -1.64 -1.64 115.15 118.91 3c4r h HIS 7 Ca 0.30 -0.07 -0.08 0.00 -1.16 0.00 0.00 60.37 59.36 3c4r h HIS 7 Cb 0.14 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3c4r h HIS 7 CO -0.07 0.59 -0.19 0.82 0.86 0.00 0.00 177.93 179.94 3c4r h ILE 8 N 0.53 1.24 0.00 2.45 2.04 -1.26 -2.40 117.51 120.10 3c4r h ILE 8 Ca 0.11 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3c4r h ILE 8 Cb 0.40 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3c4r h ILE 8 CO 0.02 0.34 0.00 -1.14 0.00 0.00 0.00 178.15 177.37 3c4r n ARG 9 N -4.18 0.46 -0.29 2.37 0.63 -0.62 -4.52 116.66 110.52 3c4r n ARG 9 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3c4r n ARG 9 Cb 0.35 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 31.99 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 1.20 0.00 0.00 5.13 0.00 -0.91 -4.54 120.51 121.39 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 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 0.09 0.00 -0.18 0.00 3.02 -1.26 -1.27 115.26 115.66 3c4r n ASN 13 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 3c4r n ASN 13 Cb 0.00 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.83 0.00 5.41 0.00 -1.95 0.12 119.26 124.67 3c4r h ALA 14 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3c4r h ALA 14 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3c4r h ALA 14 CO 0.00 0.02 0.00 2.35 0.00 0.00 0.00 179.25 181.62 3c4r h TRP 15 N 0.65 0.00 -0.00 0.00 7.01 -1.58 -3.13 115.95 118.90 3c4r h TRP 15 Ca 0.34 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.34 3c4r h TRP 15 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 3c4r h TRP 15 CO -0.00 0.00 -0.88 0.00 -2.79 0.00 0.00 178.44 174.76 3c4r n ALA 16 N -2.01 4.49 -0.33 2.65 0.00 0.29 -4.57 120.51 121.03 3c4r n ALA 16 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 3c4r n ALA 16 Cb 0.39 -0.75 0.11 0.00 0.00 0.00 0.00 19.45 19.20 3c4r n ALA 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3c4r h HIS 17 N 0.42 1.10 0.00 0.00 -0.00 -1.16 -2.17 115.15 113.35 3c4r h HIS 17 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3c4r h HIS 17 Cb 0.53 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3c4r h HIS 17 CO 0.00 0.65 0.00 -0.35 -0.00 0.00 0.00 177.93 178.23 3c4r n PRO 18 N -4.51 0.00 0.12 5.26 -0.04 -1.26 -4.51 135.00 130.07 3c4r n PRO 18 Ca 0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 3c4r n PRO 18 Cb 0.07 -0.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.51 3c4r n PRO 18 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3c4r n ASP 19 N -0.46 0.65 0.00 3.54 9.92 -1.26 -5.01 116.55 123.92 3c4r n ASP 19 Ca 0.00 0.65 0.00 0.00 -0.53 0.00 0.00 54.79 54.91 3c4r n ASP 19 Cb 0.00 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 3c4r n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3c4r n GLY 20 N 0.15 -0.13 0.14 0.44 0.00 -0.81 -4.76 105.19 100.21 3c4r n GLY 20 Ca 0.03 -2.24 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 3c4r n GLY 20 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3c4r h GLU 21 N 3.83 0.49 -0.71 1.61 4.57 -1.94 -3.37 114.58 119.06 3c4r h GLU 21 Ca 0.00 -0.83 0.19 0.00 -1.18 0.00 0.00 59.36 57.53 3c4r h GLU 21 Cb 0.00 0.31 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 3c4r h GLU 21 CO 0.00 1.40 0.50 0.87 -1.18 0.00 0.00 179.01 180.59 3c4r h LYS 22 N 0.13 0.12 0.41 1.92 1.79 -1.94 -2.49 116.57 116.51 3c4r h LYS 22 Ca -0.27 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.17 3c4r h LYS 22 Cb 2.14 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.77 3c4r h LYS 22 CO 0.25 0.08 -0.19 0.28 -1.08 0.00 0.00 179.45 178.78 3c4r h VAL 23 N 0.13 0.12 -0.45 0.50 2.07 -1.86 -1.53 116.25 115.22 3c4r h VAL 23 Ca 0.34 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 67.32 3c4r h VAL 23 Cb 1.17 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3c4r h VAL 23 CO -0.04 0.03 0.01 -0.65 0.02 0.00 0.00 177.57 176.93 3c4r h PRO 24 N -1.11 0.12 -0.94 1.57 0.11 -1.74 0.75 132.00 130.76 3c4r h PRO 24 Ca -0.06 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.13 3c4r h PRO 24 Cb 0.47 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.48 3c4r h PRO 24 CO 0.09 0.08 0.58 0.00 -0.21 0.00 0.00 178.00 178.54 3c4r h ALA 25 N 1.40 1.33 -0.27 -0.75 0.00 -1.54 0.31 119.26 119.74 3c4r h ALA 25 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 3c4r h ALA 25 Cb 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3c4r h ALA 25 CO -0.37 0.28 -0.48 0.00 0.00 0.00 0.00 179.25 178.67 3c4r h ALA 26 N 1.47 0.62 -0.01 0.00 0.00 -0.10 -2.15 119.26 119.09 3c4r h ALA 26 Ca 0.43 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3c4r h ALA 26 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3c4r h ALA 26 CO -0.21 0.68 0.00 0.93 0.00 0.00 0.00 179.25 180.64 3c4r h GLU 27 N 0.59 0.02 -0.71 0.00 4.39 -0.21 -2.39 114.58 116.27 3c4r h GLU 27 Ca 0.03 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.78 3c4r h GLU 27 Cb 1.05 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 3c4r h GLU 27 CO 0.10 0.32 0.42 0.82 -1.16 0.00 0.00 179.01 179.51 3c4r h ILE 28 N -0.29 1.01 -0.72 3.13 2.04 -0.98 -1.44 117.51 120.26 3c4r h ILE 28 Ca 0.00 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3c4r h ILE 28 Cb 0.31 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3c4r h ILE 28 CO 0.00 0.14 0.29 0.74 0.00 0.00 0.00 178.15 179.32 3c4r h THR 29 N 0.78 1.25 -0.19 -0.27 2.02 -1.33 0.29 112.91 115.45 3c4r h THR 29 Ca 0.31 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 3c4r h THR 29 Cb 0.15 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3c4r h THR 29 CO -0.16 0.31 0.04 -0.09 0.37 0.00 0.00 175.52 175.99 3c4r h ARG 30 N 1.03 0.30 -0.74 6.66 2.43 -0.99 -1.42 114.38 121.65 3c4r h ARG 30 Ca 0.24 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3c4r h ARG 30 Cb 0.21 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3c4r h ARG 30 CO -0.02 0.44 0.36 0.00 -1.51 0.00 0.00 179.97 179.23 3c4r h ALA 31 N 0.85 1.24 0.30 2.80 0.00 -1.00 -0.03 119.26 123.42 3c4r h ALA 31 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3c4r h ALA 31 Cb 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3c4r h ALA 31 CO 0.00 0.58 -0.34 -0.92 0.00 0.00 0.00 179.25 178.58 3c4r h TYR 32 N 1.04 -0.92 0.00 0.00 3.20 -0.13 -0.50 116.97 119.67 3c4r h TYR 32 Ca 0.26 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 3c4r h TYR 32 Cb 0.10 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3c4r h TYR 32 CO 0.01 -0.47 -0.33 0.74 -1.64 0.00 0.00 178.16 176.47 3c4r h PHE 33 N -0.68 0.00 -0.07 -3.82 -1.00 -0.99 -2.24 116.94 108.14 3c4r h PHE 33 Ca -0.01 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.65 3c4r h PHE 33 Cb 0.63 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 3c4r h PHE 33 CO -0.22 0.33 -0.48 0.93 -1.61 0.00 0.00 178.31 177.26 3c4r h GLU 34 N 0.00 0.17 -0.00 1.51 5.08 -0.62 -2.02 114.58 118.69 3c4r h GLU 34 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3c4r h GLU 34 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3c4r h GLU 34 CO 0.04 0.62 -0.07 1.28 -1.00 0.00 0.00 179.01 179.88 3c4r n LEU 35 N -3.97 0.22 -2.47 1.33 4.77 -0.23 -5.09 117.00 111.56 3c4r n LEU 35 Ca -0.02 0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 3c4r n LEU 35 Cb 0.52 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 3c4r n LEU 35 CO 0.42 0.04 -0.52 0.61 -1.33 0.00 0.00 177.39 176.61 3c4r n GLY 36 N 1.32 -4.65 0.00 -0.72 0.00 -0.76 -5.08 105.19 95.29 3c4r n GLY 36 Ca 0.13 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.23 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 1.13 0.00 -4.02 2.61 -2.24 -1.26 -5.04 114.28 105.47 3c4r n THR 38 Ca -0.23 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.36 3c4r n THR 38 Cb 0.35 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.57 1.18 4.78 5.36 -1.26 -3.96 117.98 124.65 3c4r s PHE 39 Ca 0.00 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 55.68 3c4r s PHE 39 Cb 0.00 -0.59 0.27 0.00 -0.34 0.00 0.00 43.02 42.37 3c4r s PHE 39 CO 0.00 -0.19 1.07 -1.25 -1.46 0.00 0.00 175.22 173.39 3c4r s PRO 40 N 1.12 -1.04 -0.15 10.12 0.04 -1.26 -4.62 135.00 139.21 3c4r s PRO 40 Ca -0.08 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.87 3c4r s PRO 40 Cb -0.14 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 3c4r s PRO 40 CO -0.01 -3.65 1.07 -1.21 0.04 0.00 0.00 177.00 173.24 3c4r s GLU 41 N -5.13 4.33 -0.01 4.56 2.02 -1.25 -5.03 118.70 118.19 3c4r s GLU 41 Ca 0.69 1.44 0.04 0.00 0.02 0.00 0.00 54.97 57.16 3c4r s GLU 41 Cb -0.14 -3.60 -0.01 0.00 0.10 0.00 0.00 34.13 30.47 3c4r s GLU 41 CO 0.58 -0.49 -0.13 -0.51 0.02 0.00 0.00 175.26 174.72 3c4r s LEU 42 N 2.65 2.03 -0.11 1.80 1.02 -1.26 -5.08 118.68 119.73 3c4r s LEU 42 Ca 0.48 -0.25 -0.29 0.00 0.02 0.00 0.00 54.13 54.09 3c4r s LEU 42 Cb -0.18 -0.67 -0.01 0.00 0.02 0.00 0.00 46.19 45.35 3c4r s LEU 42 CO 0.13 0.15 1.00 -0.31 0.02 0.00 0.00 176.35 177.35 3c4r s TYR 43 N -0.34 3.51 0.00 0.29 4.12 -1.26 -5.06 117.35 118.61 3c4r s TYR 43 Ca 0.05 1.58 0.00 0.00 0.02 0.00 0.00 57.07 58.72 3c4r s TYR 43 Cb -0.05 -3.19 0.00 0.00 -1.52 0.00 0.00 41.96 37.20 3c4r s TYR 43 CO -0.00 -0.23 0.00 -0.40 0.02 0.00 0.00 175.55 174.93 3c4r n ASP 44 N 5.04 -0.04 0.00 2.29 5.75 -1.26 -4.75 116.55 123.58 3c4r n ASP 44 Ca 0.09 -0.97 0.10 0.00 -0.01 0.00 0.00 54.79 54.00 3c4r n ASP 44 Cb 0.49 0.00 0.52 0.00 -1.03 0.00 0.00 41.12 41.09 3c4r n ASP 44 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3c4r n ASP 45 N -2.96 0.00 -0.45 -1.12 5.68 -1.26 -2.96 116.55 113.48 3c4r n ASP 45 Ca 0.00 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 3c4r n ASP 45 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 3c4r n ASP 45 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3c4r n SER 46 N -1.33 0.78 -4.40 -1.12 2.88 -1.26 -4.72 113.62 104.45 3c4r n SER 46 Ca 0.09 -1.76 -0.20 0.00 -1.33 0.00 0.00 58.87 55.67 3c4r n SER 46 Cb 0.18 -0.39 -0.10 0.00 -0.75 0.00 0.00 64.21 63.15 3c4r n SER 46 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3c4r s HIS 47 N -1.11 1.88 0.00 0.66 3.76 -1.16 -5.11 115.29 114.22 3c4r s HIS 47 Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 3c4r s HIS 47 Cb 0.00 -1.01 0.00 0.00 1.11 0.00 0.00 32.58 32.68 3c4r s HIS 47 CO 0.00 0.31 0.00 -2.30 -0.85 0.00 0.00 174.74 171.90 3c4r n PRO 48 N -0.52 0.00 -1.40 8.40 -0.02 -1.26 -4.19 135.00 136.01 3c4r n PRO 48 Ca -0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.13 3c4r n PRO 48 Cb 0.62 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.03 3c4r n PRO 48 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3c4r n GLU 49 N 0.00 3.14 -0.19 -0.52 1.02 -1.26 -4.68 120.64 118.15 3c4r n GLU 49 Ca 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 57.16 54.99 3c4r n GLU 49 Cb 0.00 -2.40 0.07 0.00 -0.02 0.00 0.00 31.44 29.09 3c4r n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3c4r h ALA 50 N 3.94 0.46 -0.87 0.62 0.00 -1.85 -0.30 119.26 121.26 3c4r h ALA 50 Ca 0.55 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.72 3c4r h ALA 50 Cb 0.74 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3c4r h ALA 50 CO 1.09 -0.42 0.57 1.25 0.00 0.00 0.00 179.25 181.74 3c4r h LEU 51 N 0.04 0.88 -0.34 0.00 5.85 -1.85 -1.30 115.31 118.59 3c4r h LEU 51 Ca 0.29 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.86 3c4r h LEU 51 Cb 0.46 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3c4r h LEU 51 CO -0.56 0.57 -0.74 0.00 -0.34 0.00 0.00 178.44 177.37 3c4r h ALA 52 N 1.52 0.66 -0.13 1.25 0.00 -1.67 -2.72 119.26 118.18 3c4r h ALA 52 Ca 0.37 -0.67 -0.21 0.00 0.00 0.00 0.00 54.91 54.40 3c4r h ALA 52 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3c4r h ALA 52 CO -0.13 0.92 -0.76 -0.09 0.00 0.00 0.00 179.25 179.19 3c4r h ARG 53 N 0.00 0.64 -0.11 0.00 1.12 -0.01 -3.28 114.38 112.75 3c4r h ARG 53 Ca -0.01 -0.52 0.00 0.00 -1.11 0.00 0.00 59.98 58.34 3c4r h ARG 53 Cb 1.41 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.48 3c4r h ARG 53 CO 0.10 1.14 0.00 0.27 -3.11 0.00 0.00 179.97 178.37 3c4r n ASN 54 N -3.90 3.08 0.13 -3.80 2.04 -0.69 -3.46 115.26 108.67 3c4r n ASN 54 Ca -0.06 -1.99 0.01 0.00 -0.44 0.00 0.00 54.58 52.10 3c4r n ASN 54 Cb 0.73 -0.05 0.06 0.00 -2.53 0.00 0.00 39.78 37.99 3c4r n ASN 54 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3c4r h THR 55 N 4.61 1.04 -0.04 5.53 1.03 -1.55 -2.45 112.91 121.08 3c4r h THR 55 Ca 0.00 -2.30 -0.11 0.00 -0.01 0.00 0.00 66.41 63.98 3c4r h THR 55 Cb 0.99 2.40 0.01 0.00 -1.07 0.00 0.00 68.15 70.47 3c4r h THR 55 CO 0.00 0.56 -0.41 -0.61 -0.01 0.00 0.00 175.52 175.05 3c4r h GLN 56 N 0.00 0.35 0.53 0.00 4.15 -1.62 -3.13 115.11 115.39 3c4r h GLN 56 Ca -0.01 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.07 3c4r h GLN 56 Cb 1.35 0.08 0.01 0.00 0.21 0.00 0.00 27.48 29.13 3c4r h GLN 56 CO 0.07 0.99 -0.26 0.87 -1.93 0.00 0.00 178.83 178.58 3c4r h LYS 57 N -0.18 -0.69 -0.17 1.69 1.57 -1.57 -1.50 116.57 115.72 3c4r h LYS 57 Ca -0.04 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3c4r h LYS 57 Cb 1.10 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 3c4r h LYS 57 CO 0.08 -0.43 -0.22 0.82 -0.57 0.00 0.00 179.45 179.12 3c4r h ILE 58 N -0.77 0.44 0.00 1.86 2.04 -1.57 -1.70 117.51 117.82 3c4r h ILE 58 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3c4r h ILE 58 Cb 0.57 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3c4r h ILE 58 CO 0.12 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 178.01 3c4r h PHE 59 N -0.27 0.00 0.00 1.37 -1.00 -1.60 -1.70 116.94 113.74 3c4r h PHE 59 Ca 0.11 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.81 3c4r h PHE 59 Cb 0.43 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 3c4r h PHE 59 CO -0.34 0.00 -0.41 -0.09 -1.61 0.00 0.00 178.31 175.86 3c4r h ARG 60 N 0.00 0.00 0.17 1.51 2.43 -0.41 -2.72 114.38 115.36 3c4r h ARG 60 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 3c4r h ARG 60 Cb 0.61 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3c4r h ARG 60 CO 0.00 0.41 -1.59 -1.49 -1.51 0.00 0.00 179.97 175.79 3c4r h TRP 61 N 0.00 0.66 -0.79 2.20 6.55 -0.53 -3.33 115.95 120.72 3c4r h TRP 61 Ca -0.00 -0.48 -0.04 0.00 0.95 0.00 0.00 58.89 59.32 3c4r h TRP 61 Cb 0.92 -0.03 -0.04 0.00 -0.86 0.00 0.00 29.16 29.16 3c4r h TRP 61 CO 0.00 1.52 0.35 0.28 -1.05 0.00 0.00 178.44 179.54 3c4r h VAL 62 N 0.10 1.25 0.00 1.49 2.07 -1.32 -3.08 116.25 116.77 3c4r h VAL 62 Ca -0.28 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 3c4r h VAL 62 Cb 2.08 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3c4r h VAL 62 CO 0.19 0.31 -0.31 1.05 0.02 0.00 0.00 177.57 178.84 3c4r h GLU 63 N 1.12 0.00 -7.00 1.57 4.11 -1.63 -3.45 114.58 109.30 3c4r h GLU 63 Ca 0.27 0.00 -0.45 0.00 0.07 0.00 0.00 59.36 59.25 3c4r h GLU 63 Cb 0.17 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.47 3c4r h GLU 63 CO -0.03 0.31 0.06 0.15 0.07 0.00 0.00 179.01 179.57 3c4r s LYS 64 N -3.59 2.48 -0.01 1.06 1.02 -1.16 -5.02 119.74 114.52 3c4r s LYS 64 Ca 0.01 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.47 3c4r s LYS 64 Cb 0.10 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 35.07 3c4r s LYS 64 CO 0.67 -0.86 0.83 -0.25 -0.92 0.00 0.00 175.35 174.82 3c4r n ASP 65 N -2.53 1.12 -4.78 2.83 8.00 -1.26 -4.77 116.55 115.16 3c4r n ASP 65 Ca 0.07 -1.74 -0.37 0.00 0.71 0.00 0.00 54.79 53.47 3c4r n ASP 65 Cb 0.60 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.61 3c4r n ASP 65 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3c4r s THR 66 N -0.73 3.48 0.35 -3.53 -4.23 -1.26 -4.77 115.64 104.94 3c4r s THR 66 Ca 0.03 1.15 0.15 0.00 -1.18 0.00 0.00 61.69 61.85 3c4r s THR 66 Cb 0.03 -3.61 0.34 0.00 1.34 0.00 0.00 72.50 70.60 3c4r s THR 66 CO 0.00 0.03 1.63 -0.65 -0.54 0.00 0.00 174.62 175.09 3c4r h PRO 67 N 2.45 0.19 -0.09 3.99 0.11 -1.98 0.26 132.00 136.93 3c4r h PRO 67 Ca -0.49 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 3c4r h PRO 67 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3c4r h PRO 67 CO 0.62 0.12 -0.70 0.22 -0.21 0.00 0.00 178.00 178.05 3c4r h ASP 68 N 0.19 0.49 -0.08 -2.05 3.58 -1.99 -1.32 116.42 115.24 3c4r h ASP 68 Ca 0.76 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.87 3c4r h ASP 68 Cb 1.81 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.72 3c4r h ASP 68 CO -0.68 1.04 -0.05 0.00 -2.88 0.00 0.00 179.24 176.68 3c4r h ALA 69 N 0.95 0.12 -0.44 -0.78 0.00 -0.95 -2.82 119.26 115.33 3c4r h ALA 69 Ca -0.03 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.70 3c4r h ALA 69 Cb 1.27 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 3c4r h ALA 69 CO 0.12 -0.11 0.12 0.28 0.00 0.00 0.00 179.25 179.66 3c4r h VAL 70 N -0.21 0.81 -0.64 0.00 2.07 -0.77 -2.76 116.25 114.76 3c4r h VAL 70 Ca 0.02 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.36 3c4r h VAL 70 Cb 0.51 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3c4r h VAL 70 CO 0.01 0.05 0.05 -0.08 0.02 0.00 0.00 177.57 177.63 3c4r h GLU 71 N 0.27 1.08 0.00 1.57 4.81 -1.28 -2.76 114.58 118.28 3c4r h GLU 71 Ca 0.21 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3c4r h GLU 71 Cb 0.24 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3c4r h GLU 71 CO -0.25 1.02 -0.04 0.87 -0.73 0.00 0.00 179.01 179.89 3c4r h LYS 72 N 1.00 0.00 0.16 1.92 1.57 -1.29 -2.27 116.57 117.67 3c4r h LYS 72 Ca 0.19 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.70 3c4r h LYS 72 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.82 3c4r h LYS 72 CO 0.02 0.04 -1.26 0.82 -0.57 0.00 0.00 179.45 178.50 3c4r h ILE 73 N 0.00 1.24 -0.96 1.86 1.08 -1.32 -2.83 117.51 116.57 3c4r h ILE 73 Ca -0.00 -2.52 0.04 0.00 -0.39 0.00 0.00 64.86 61.99 3c4r h ILE 73 Cb 0.51 2.96 -0.06 0.00 -3.07 0.00 0.00 36.82 37.16 3c4r h ILE 73 CO 0.00 0.75 0.63 1.56 -0.69 0.00 0.00 178.15 180.40 3c4r h GLN 74 N -0.19 1.17 -0.25 2.37 1.08 -1.36 0.21 115.11 118.14 3c4r h GLN 74 Ca -0.24 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 56.87 3c4r h GLN 74 Cb 1.84 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.99 3c4r h GLN 74 CO 0.15 0.77 0.08 0.00 -0.95 0.00 0.00 178.83 178.88 3c4r h ALA 75 N 1.40 1.67 0.00 3.87 0.00 -1.47 -2.30 119.26 122.43 3c4r h ALA 75 Ca 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3c4r h ALA 75 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3c4r h ALA 75 CO -0.13 0.26 -0.31 -0.07 0.00 0.00 0.00 179.25 179.01 3c4r h LEU 76 N 0.35 0.00 -0.83 0.00 3.38 -0.42 -3.40 115.31 114.39 3c4r h LEU 76 Ca 0.09 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.17 3c4r h LEU 76 Cb 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.73 3c4r h LEU 76 CO -0.01 0.01 -0.32 0.18 0.09 0.00 0.00 178.44 178.39 3c4r n LEU 77 N -2.82 -0.54 -0.29 1.67 4.77 0.06 -0.57 117.00 119.29 3c4r n LEU 77 Ca 0.03 1.45 0.11 0.00 -0.03 0.00 0.00 56.01 57.57 3c4r n LEU 77 Cb 0.52 -0.33 0.26 0.00 -2.33 0.00 0.00 43.42 41.54 3c4r n LEU 77 CO 0.35 -1.30 0.98 -0.65 -1.33 0.00 0.00 177.39 175.44 3c4r h PRO 78 N 0.00 0.30 0.00 3.23 0.11 -1.79 0.99 132.00 134.84 3c4r h PRO 78 Ca 0.29 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 3c4r h PRO 78 Cb 0.50 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3c4r h PRO 78 CO -0.83 0.20 -0.50 0.00 -0.21 0.00 0.00 178.00 176.66 3c4r h ALA 79 N 1.70 0.96 -0.01 -0.75 0.00 -1.14 -1.87 119.26 118.15 3c4r h ALA 79 Ca 0.51 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3c4r h ALA 79 Cb 0.96 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.68 3c4r h ALA 79 CO -0.56 0.63 -0.46 0.82 0.00 0.00 0.00 179.25 179.69 3c4r h ILE 80 N 0.00 1.46 0.00 0.00 2.04 0.83 -2.54 117.51 119.30 3c4r h ILE 80 Ca -0.01 -1.99 -0.03 0.00 1.00 0.00 0.00 64.86 63.84 3c4r h ILE 80 Cb 1.02 2.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 3c4r h ILE 80 CO 0.07 0.57 -0.12 -0.33 0.00 0.00 0.00 178.15 178.33 3c4r h GLU 81 N -0.22 0.00 0.03 2.37 5.08 0.68 -2.98 114.58 119.54 3c4r h GLU 81 Ca -0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 3c4r h GLU 81 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3c4r h GLU 81 CO 0.09 0.12 -0.97 -0.22 -1.00 0.00 0.00 179.01 177.04 3c4r h LYS 82 N 0.00 0.14 -2.02 2.33 1.63 -1.31 -3.49 116.57 113.85 3c4r h LYS 82 Ca -0.00 -0.19 -0.67 0.00 -0.85 0.00 0.00 60.65 58.94 3c4r h LYS 82 Cb 0.61 0.06 -0.36 0.00 -0.60 0.00 0.00 32.23 31.94 3c4r h LYS 82 CO 0.02 1.00 0.01 -1.13 -3.45 0.00 0.00 179.45 175.90 3c4r n SER 83 N -3.55 5.74 -4.61 4.20 3.41 -0.96 -5.04 113.62 112.80 3c4r n SER 83 Ca -0.03 -3.73 -0.34 0.00 -0.26 0.00 0.00 58.87 54.51 3c4r n SER 83 Cb 0.88 -0.76 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 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 -3.79 3.87 0.30 4.33 0.02 -1.26 -4.96 135.00 133.50 3c4r s PRO 85 Ca 0.47 -0.38 0.07 0.00 0.02 0.00 0.00 61.00 61.18 3c4r s PRO 85 Cb 0.32 -3.13 0.85 0.00 0.02 0.00 0.00 34.50 32.56 3c4r s PRO 85 CO -0.20 0.30 1.43 -2.30 -0.33 0.00 0.00 177.00 175.90 3c4r n PRO 86 N 3.44 -0.07 -0.09 5.54 -0.02 -1.26 -0.60 135.00 141.94 3c4r n PRO 86 Ca -0.17 1.34 -0.09 0.00 -2.02 0.00 0.00 63.50 62.56 3c4r n PRO 86 Cb 0.52 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 3c4r n PRO 86 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3c4r h LEU 87 N 0.00 0.36 -1.33 2.45 5.85 -2.03 -0.86 115.31 119.76 3c4r h LEU 87 Ca 0.62 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.27 3c4r h LEU 87 Cb 1.40 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 3c4r h LEU 87 CO -0.81 0.26 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.29 3c4r h LEU 88 N 0.43 0.21 -0.35 2.25 -0.00 -1.27 -2.00 115.31 114.57 3c4r h LEU 88 Ca 0.12 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 3c4r h LEU 88 Cb -0.05 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 3c4r h LEU 88 CO -0.02 0.42 0.01 0.58 -0.00 0.00 0.00 178.44 179.42 3c4r h VAL 89 N 0.21 1.26 -0.66 1.22 2.07 -0.73 -3.01 116.25 116.61 3c4r h VAL 89 Ca 0.04 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3c4r h VAL 89 Cb 0.46 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3c4r h VAL 89 CO 0.03 0.32 0.33 0.00 0.02 0.00 0.00 177.57 178.26 3c4r h ALA 90 N 0.87 0.85 0.00 1.67 0.00 -0.82 -0.93 119.26 120.90 3c4r h ALA 90 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3c4r h ALA 90 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3c4r h ALA 90 CO 0.02 0.40 0.00 0.54 0.00 0.00 0.00 179.25 180.21 3c4r n ARG 91 N -4.48 0.00 0.00 0.00 5.12 -0.78 -0.93 116.66 115.58 3c4r n ARG 91 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3c4r n ARG 91 Cb 0.12 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 3c4r n ARG 91 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3c4r n ARG 93 N 0.49 0.00 0.14 5.56 1.74 -0.35 -3.87 116.66 120.37 3c4r n ARG 93 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3c4r n ARG 93 Cb 0.00 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 31.89 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 0.19 0.44 0.55 4.64 -1.27 0.71 113.55 118.82 3c4r h SER 94 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3c4r h SER 94 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3c4r h SER 94 CO 0.00 0.29 0.00 1.41 -0.87 0.00 0.00 176.83 177.66 3c4r n HIS 95 N -4.35 0.42 0.00 4.77 8.25 -1.25 -3.28 115.22 119.78 3c4r n HIS 95 Ca -0.01 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3c4r n HIS 95 Cb 0.20 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 30.52 3c4r n HIS 95 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3c4r n SER 96 N -1.90 4.21 -4.37 0.41 3.41 -0.77 -5.02 113.62 109.58 3c4r n SER 96 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 3c4r n SER 96 Cb 0.15 0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 64.65 3c4r n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3c4r s SER 97 N -2.05 4.26 0.25 4.04 0.15 0.17 -4.98 113.70 115.54 3c4r s SER 97 Ca 0.00 -0.31 0.05 0.00 0.70 0.00 0.00 55.95 56.39 3c4r s SER 97 Cb 0.00 -1.69 0.30 0.00 -1.71 0.00 0.00 66.02 62.92 3c4r s SER 97 CO 0.00 0.10 1.60 0.00 1.20 0.00 0.00 173.24 176.14 3c4r h ALA 98 N 7.18 0.91 -0.02 5.45 0.00 -1.88 -2.02 119.26 128.89 3c4r h ALA 98 Ca -0.32 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 3c4r h ALA 98 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3c4r h ALA 98 CO 0.59 0.69 0.01 -0.92 0.00 0.00 0.00 179.25 179.62 3c4r h TYR 99 N 0.20 0.03 0.00 0.00 3.20 -1.93 -1.37 116.97 117.09 3c4r h TYR 99 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3c4r h TYR 99 Cb 1.02 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3c4r h TYR 99 CO 0.02 0.13 -0.24 0.74 -1.64 0.00 0.00 178.16 177.17 3c4r h PHE 100 N -0.08 0.00 -0.17 -3.82 0.04 -1.86 -1.45 116.94 109.60 3c4r h PHE 100 Ca 0.01 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 3c4r h PHE 100 Cb 0.11 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.27 3c4r h PHE 100 CO -0.04 0.24 -0.65 -0.09 -0.60 0.00 0.00 178.31 177.17 3c4r h ARG 101 N 0.00 0.75 -0.22 1.51 2.43 -1.09 -2.05 114.38 115.72 3c4r h ARG 101 Ca -0.00 -0.57 -0.09 0.00 -0.81 0.00 0.00 59.98 58.50 3c4r h ARG 101 Cb 0.61 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3c4r h ARG 101 CO 0.03 1.19 -0.27 1.49 -1.51 0.00 0.00 179.97 180.90 3c4r h GLU 102 N 0.47 0.42 -0.01 0.20 4.81 -0.89 -1.27 114.58 118.31 3c4r h GLU 102 Ca -0.03 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3c4r h GLU 102 Cb 1.28 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3c4r h GLU 102 CO 0.14 0.65 0.00 1.25 -0.73 0.00 0.00 179.01 180.32 3c4r h LEU 103 N 0.37 0.01 -1.31 1.64 5.85 -1.21 -1.72 115.31 118.93 3c4r h LEU 103 Ca 0.05 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3c4r h LEU 103 Cb 0.66 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3c4r h LEU 103 CO 0.05 0.20 -0.04 0.58 -0.34 0.00 0.00 178.44 178.89 3c4r h VAL 104 N -0.17 1.18 -0.38 1.05 2.07 -1.12 -2.13 116.25 116.75 3c4r h VAL 104 Ca 0.00 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 3c4r h VAL 104 Cb 0.19 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3c4r h VAL 104 CO -0.00 0.25 -0.11 -0.33 0.02 0.00 0.00 177.57 177.40 3c4r h GLU 105 N 0.40 0.75 -0.33 1.57 5.08 -0.99 -2.04 114.58 119.01 3c4r h GLU 105 Ca 0.09 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3c4r h GLU 105 Cb 0.32 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3c4r h GLU 105 CO 0.01 0.90 -0.02 1.15 -1.00 0.00 0.00 179.01 180.06 3c4r h THR 106 N 0.55 1.20 -0.69 1.13 2.02 -1.05 -1.44 112.91 114.64 3c4r h THR 106 Ca 0.09 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 3c4r h THR 106 Cb 0.64 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3c4r h THR 106 CO 0.04 0.28 0.12 -0.09 0.37 0.00 0.00 175.52 176.24 3c4r h ARG 107 N 0.50 1.13 -0.54 6.66 1.12 -1.11 -2.15 114.38 119.99 3c4r h ARG 107 Ca 0.11 -0.30 -0.08 0.00 -1.11 0.00 0.00 59.98 58.60 3c4r h ARG 107 Cb 0.35 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 3c4r h ARG 107 CO 0.01 1.02 0.03 0.93 -3.11 0.00 0.00 179.97 178.86 3c4r h GLU 108 N 1.06 0.90 -0.54 0.20 4.39 -0.61 -1.94 114.58 118.05 3c4r h GLU 108 Ca 0.21 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3c4r h GLU 108 Cb 0.43 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3c4r h GLU 108 CO 0.01 0.88 -0.01 0.00 -1.16 0.00 0.00 179.01 178.73 3c4r h ARG 109 N 0.84 0.95 -0.40 2.33 3.08 -1.09 0.25 114.38 120.35 3c4r h ARG 109 Ca 0.16 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3c4r h ARG 109 Cb 0.45 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3c4r h ARG 109 CO 0.02 0.97 0.24 -0.07 -1.07 0.00 0.00 179.97 180.05 3c4r h LEU 110 N 0.83 0.48 -0.38 3.04 3.38 -1.15 0.27 115.31 121.77 3c4r h LEU 110 Ca 0.15 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3c4r h LEU 110 Cb 0.54 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3c4r h LEU 110 CO 0.03 0.39 0.21 0.58 0.09 0.00 0.00 178.44 179.74 3c4r h VAL 111 N 0.53 1.15 -0.92 1.22 2.07 -1.13 -0.08 116.25 119.08 3c4r h VAL 111 Ca 0.14 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3c4r h VAL 111 Cb 0.00 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3c4r h VAL 111 CO -0.03 0.15 0.54 0.03 0.02 0.00 0.00 177.57 178.28 3c4r h ARG 112 N 0.49 1.26 -0.53 1.57 3.08 0.06 -0.81 114.38 119.50 3c4r h ARG 112 Ca 0.13 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3c4r h ARG 112 Cb 0.06 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3c4r h ARG 112 CO -0.02 0.90 0.16 -0.44 -1.07 0.00 0.00 179.97 179.50 3c4r h ASP 113 N 1.28 0.72 -0.02 7.04 3.32 -0.00 -0.09 116.42 128.67 3c4r h ASP 113 Ca 0.33 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 3c4r h ASP 113 Cb -0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3c4r h ASP 113 CO -0.06 0.69 -0.30 0.00 -1.72 0.00 0.00 179.24 177.85 3c4r h ALA 114 N 1.41 1.05 -0.04 3.45 0.00 0.02 -2.29 119.26 122.86 3c4r h ALA 114 Ca 0.18 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 3c4r h ALA 114 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3c4r h ALA 114 CO -0.01 0.58 -0.64 -0.44 0.00 0.00 0.00 179.25 178.74 3c4r h ASP 115 N 0.41 0.21 0.34 0.00 3.32 -0.40 -2.75 116.42 117.55 3c4r h ASP 115 Ca 0.05 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3c4r h ASP 115 Cb 0.73 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3c4r h ASP 115 CO 0.06 0.79 -0.25 0.44 -1.72 0.00 0.00 179.24 178.56 3c4r h ASP 116 N 0.13 0.00 0.15 6.45 3.32 -0.53 -1.85 116.42 124.09 3c4r h ASP 116 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3c4r h ASP 116 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3c4r h ASP 116 CO 0.10 0.25 -0.07 -0.26 -1.72 0.00 0.00 179.24 177.53 3c4r h PHE 117 N 0.00 -0.18 -0.61 4.55 0.05 -1.13 -1.69 116.94 117.92 3c4r h PHE 117 Ca -0.00 -0.00 0.06 0.00 3.82 0.00 0.00 57.97 61.85 3c4r h PHE 117 Cb 0.49 0.06 -0.06 0.00 2.00 0.00 0.00 35.95 38.44 3c4r h PHE 117 CO 0.00 0.13 0.31 0.28 -0.18 0.00 0.00 178.31 178.84 3c4r h VAL 118 N -0.50 0.92 -0.02 -0.55 2.07 -1.33 -1.70 116.25 115.14 3c4r h VAL 118 Ca -0.02 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3c4r h VAL 118 Cb 0.39 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3c4r h VAL 118 CO 0.03 0.10 -0.02 0.00 0.02 0.00 0.00 177.57 177.70 3c4r h ALA 119 N 1.34 -0.01 -0.65 1.67 0.00 -1.29 0.76 119.26 121.09 3c4r h ALA 119 Ca 0.28 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3c4r h ALA 119 Cb 0.22 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3c4r h ALA 119 CO -0.20 -0.51 0.29 0.28 0.00 0.00 0.00 179.25 179.10 3c4r h VAL 120 N -0.03 0.82 0.00 0.00 2.07 -0.91 0.68 116.25 118.87 3c4r h VAL 120 Ca 0.02 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3c4r h VAL 120 Cb 0.06 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3c4r h VAL 120 CO -0.04 0.09 -0.30 0.00 0.02 0.00 0.00 177.57 177.35 3c4r h ALA 121 N 1.41 1.09 -0.09 1.67 0.00 -0.95 -2.09 119.26 120.31 3c4r h ALA 121 Ca 0.32 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3c4r h ALA 121 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3c4r h ALA 121 CO -0.28 0.37 -0.23 0.97 0.00 0.00 0.00 179.25 180.09 3c4r h ILE 122 N 0.00 1.41 -0.69 0.00 6.09 0.16 -2.76 117.51 121.72 3c4r h ILE 122 Ca -0.00 -1.56 0.11 0.00 -1.37 0.00 0.00 64.86 62.04 3c4r h ILE 122 Cb 0.74 2.19 -0.04 0.00 0.47 0.00 0.00 36.82 40.17 3c4r h ILE 122 CO 0.04 0.45 0.46 0.00 -3.07 0.00 0.00 178.15 176.02 3c4r h ALA 123 N 0.48 1.99 0.00 0.18 0.00 0.58 1.48 119.26 123.97 3c4r h ALA 123 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3c4r h ALA 123 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3c4r h ALA 123 CO 0.05 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3c4r n GLY 124 N -1.50 -1.33 1.01 0.00 0.00 -0.82 -5.09 105.19 97.46 3c4r n GLY 124 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3c4r n GLY 124 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29