#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4y n SER 2 N 0.00 -2.68 -0.07 1.61 7.64 -1.26 -4.96 113.62 113.90 1x4y n SER 2 Ca 0.00 -0.23 -0.20 0.00 1.01 0.00 0.00 58.87 59.45 1x4y n SER 2 Cb 0.00 -0.86 -0.12 0.00 -1.01 0.00 0.00 64.21 62.22 1x4y n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x4y h SER 3 N -2.25 0.10 0.00 6.43 0.02 -2.11 -3.49 113.55 112.25 1x4y h SER 3 Ca -0.43 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 1x4y h SER 3 Cb 1.17 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x4y h SER 3 CO 0.29 1.43 0.00 0.61 -1.14 0.00 0.00 176.83 178.02 1x4y n GLY 4 N 1.56 -1.05 3.74 -3.77 0.00 -1.26 -5.14 105.19 99.27 1x4y n GLY 4 Ca -0.26 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1x4y n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4y s SER 5 N 0.00 6.66 -0.16 1.61 1.04 -1.26 -5.01 113.70 116.58 1x4y s SER 5 Ca 0.00 2.64 -0.05 0.00 0.48 0.00 0.00 55.95 59.03 1x4y s SER 5 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 1x4y s SER 5 CO 0.00 -0.71 -0.01 -0.94 0.98 0.00 0.00 173.24 172.56 1x4y s SER 6 N 0.49 5.05 0.00 7.02 1.04 -1.26 -5.02 113.70 121.02 1x4y s SER 6 Ca 0.61 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1x4y s SER 6 Cb -0.42 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1x4y s SER 6 CO 0.41 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.42 1x4y n GLY 7 N 3.44 3.09 3.77 7.32 0.00 -1.26 -4.41 105.19 117.14 1x4y n GLY 7 Ca -0.17 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 1x4y n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 8 N -3.66 4.05 0.00 1.61 0.04 -1.26 -4.87 135.00 130.91 1x4y s PRO 8 Ca 0.00 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1x4y s PRO 8 Cb 0.00 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1x4y s PRO 8 CO 0.00 -0.34 0.00 1.33 0.04 0.00 0.00 177.00 178.03 1x4y n VAL 9 N 0.10 0.00 -0.33 -0.36 0.24 -1.26 -3.16 118.33 113.56 1x4y n VAL 9 Ca 0.04 0.00 0.29 0.00 -2.04 0.00 0.00 64.34 62.63 1x4y n VAL 9 Cb 0.46 -0.34 0.55 0.00 -1.47 0.00 0.00 33.84 33.04 1x4y n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4y h ALA 10 N 0.00 2.13 -3.36 2.33 0.00 -1.93 -2.77 119.26 115.66 1x4y h ALA 10 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1x4y h ALA 10 Cb 0.51 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1x4y h ALA 10 CO 0.00 -0.84 -0.88 0.41 0.00 0.00 0.00 179.25 177.94 1x4y n GLY 11 N -1.29 -3.94 3.74 0.00 0.00 -1.26 -4.81 105.19 97.63 1x4y n GLY 11 Ca 0.36 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1x4y n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 12 N -5.26 1.68 -0.08 1.61 0.04 -1.26 -4.85 135.00 126.88 1x4y s PRO 12 Ca 0.00 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1x4y s PRO 12 Cb 0.00 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x4y s PRO 12 CO 0.00 -1.99 -0.07 -0.47 0.04 0.00 0.00 177.00 174.51 1x4y s TYR 13 N -2.92 1.20 0.01 0.56 5.04 -1.09 -4.57 117.35 115.57 1x4y s TYR 13 Ca 0.62 -0.49 -0.30 0.00 -2.44 0.00 0.00 57.07 54.46 1x4y s TYR 13 Cb -0.18 -1.01 -0.05 0.00 0.35 0.00 0.00 41.96 41.07 1x4y s TYR 13 CO 0.57 -0.36 1.33 0.42 -1.34 0.00 0.00 175.55 176.16 1x4y s ILE 14 N 1.35 3.84 0.00 3.14 1.01 -1.26 -0.68 121.20 128.60 1x4y s ILE 14 Ca -0.03 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1x4y s ILE 14 Cb -0.14 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1x4y s ILE 14 CO -0.03 0.02 0.62 0.35 0.00 0.00 0.00 174.94 175.90 1x4y n THR 15 N 4.49 0.37 -3.66 2.92 -2.24 -0.87 -4.96 114.28 110.33 1x4y n THR 15 Ca 0.12 -0.56 -0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1x4y n THR 15 Cb 0.44 0.94 -0.08 0.00 -2.10 0.00 0.00 70.33 69.53 1x4y n THR 15 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x4y s PHE 16 N -0.37 -0.94 -0.14 4.78 5.36 -1.19 -5.00 117.98 120.49 1x4y s PHE 16 Ca 0.00 1.80 -0.04 0.00 -0.96 0.00 0.00 56.93 57.73 1x4y s PHE 16 Cb 0.00 0.49 0.06 0.00 -0.34 0.00 0.00 43.02 43.23 1x4y s PHE 16 CO 0.00 -0.50 0.11 0.95 -1.46 0.00 0.00 175.22 174.31 1x4y s THR 17 N 2.15 -0.14 0.04 0.12 -4.23 -1.26 -1.14 115.64 111.18 1x4y s THR 17 Ca -0.07 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1x4y s THR 17 Cb -0.09 -0.47 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 1x4y s THR 17 CO -0.16 -0.14 -0.02 -1.81 -0.54 0.00 0.00 174.62 171.95 1x4y s ASP 18 N 2.18 0.37 -0.43 3.99 1.01 -0.47 -4.97 116.67 118.35 1x4y s ASP 18 Ca 0.03 -0.76 -0.18 0.00 0.71 0.00 0.00 52.55 52.35 1x4y s ASP 18 Cb -0.15 0.16 0.02 0.00 1.01 0.00 0.00 42.92 43.97 1x4y s ASP 18 CO -0.08 -0.47 0.47 0.00 0.21 0.00 0.00 175.17 175.30 1x4y s ALA 19 N -2.82 3.41 0.33 5.23 0.00 -1.26 0.23 121.76 126.88 1x4y s ALA 19 Ca -0.03 -1.48 0.17 0.00 0.00 0.00 0.00 51.96 50.61 1x4y s ALA 19 Cb -0.00 -3.10 0.84 0.00 0.00 0.00 0.00 23.12 20.86 1x4y s ALA 19 CO -0.06 -1.63 1.85 0.28 0.00 0.00 0.00 175.76 176.20 1x4y h VAL 20 N 5.75 1.06 -2.74 0.00 2.07 -1.67 -3.46 116.25 117.26 1x4y h VAL 20 Ca -0.26 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1x4y h VAL 20 Cb 1.11 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1x4y h VAL 20 CO 0.81 0.32 0.25 0.59 0.02 0.00 0.00 177.57 179.57 1x4y n ASN 21 N -3.89 -1.79 0.20 0.57 3.02 -0.57 -4.93 115.26 107.88 1x4y n ASN 21 Ca -0.02 -2.21 0.04 0.00 -0.03 0.00 0.00 54.58 52.37 1x4y n ASN 21 Cb 0.40 2.98 0.46 0.00 -0.61 0.00 0.00 39.78 43.01 1x4y n ASN 21 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1x4y h GLU 22 N 0.00 0.04 0.00 3.52 9.09 -1.88 -2.89 114.58 122.46 1x4y h GLU 22 Ca -0.26 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.14 1x4y h GLU 22 Cb 0.98 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.07 1x4y h GLU 22 CO 0.33 0.24 -0.11 0.25 0.05 0.00 0.00 179.01 179.78 1x4y n THR 23 N -4.28 1.63 -4.00 -1.06 -2.24 -1.26 -3.05 114.28 100.03 1x4y n THR 23 Ca -0.02 -2.01 -0.12 0.00 -2.27 0.00 0.00 64.05 59.63 1x4y n THR 23 Cb 0.27 -0.13 -0.12 0.00 -2.10 0.00 0.00 70.33 68.25 1x4y n THR 23 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4y s THR 24 N -2.48 0.23 -0.04 4.28 2.01 -1.10 -2.45 115.64 116.09 1x4y s THR 24 Ca 0.28 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 1x4y s THR 24 Cb 0.25 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.49 1x4y s THR 24 CO 0.02 -0.25 0.10 -0.63 -0.69 0.00 0.00 174.62 173.17 1x4y s ILE 25 N -0.86 -0.02 -0.21 1.82 1.01 -0.71 -1.51 121.20 120.72 1x4y s ILE 25 Ca -0.08 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 1x4y s ILE 25 Cb -0.06 -0.16 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 1x4y s ILE 25 CO -0.00 0.03 -0.04 -0.32 0.00 0.00 0.00 174.94 174.61 1x4y s MET 26 N 0.52 3.42 -0.02 2.79 -2.45 0.13 -0.68 119.30 123.01 1x4y s MET 26 Ca -0.04 -0.61 0.04 0.00 -1.25 0.00 0.00 55.69 53.84 1x4y s MET 26 Cb -0.05 -3.01 -0.01 0.00 1.25 0.00 0.00 34.83 33.01 1x4y s MET 26 CO -0.02 -0.15 -0.16 -0.48 1.05 0.00 0.00 175.02 175.26 1x4y s LEU 27 N 1.36 1.97 -0.03 4.11 2.34 -1.07 -1.37 118.68 125.99 1x4y s LEU 27 Ca 0.04 -0.30 0.05 0.00 0.06 0.00 0.00 54.13 53.99 1x4y s LEU 27 Cb -0.14 -0.85 -0.02 0.00 -0.56 0.00 0.00 46.19 44.62 1x4y s LEU 27 CO -0.02 0.17 -0.18 -0.54 -1.06 0.00 0.00 176.35 174.72 1x4y s LYS 28 N -0.18 2.35 0.11 1.48 1.02 -0.30 -2.73 119.74 121.49 1x4y s LYS 28 Ca 0.02 -0.79 0.10 0.00 0.02 0.00 0.00 55.97 55.32 1x4y s LYS 28 Cb -0.08 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1x4y s LYS 28 CO 0.00 0.60 -0.24 1.67 -0.92 0.00 0.00 175.35 176.46 1x4y s TRP 29 N -0.71 2.06 0.34 3.18 -2.14 -0.93 -2.06 118.94 118.68 1x4y s TRP 29 Ca 0.11 -0.40 0.07 0.00 2.66 0.00 0.00 56.10 58.55 1x4y s TRP 29 Cb -0.10 -1.12 -0.02 0.00 -3.10 0.00 0.00 33.47 29.12 1x4y s TRP 29 CO 0.00 0.27 0.37 0.00 -2.66 0.00 0.00 176.95 174.93 1x4y s MET 30 N -1.96 2.86 -0.05 3.25 0.23 0.15 -4.84 119.30 118.93 1x4y s MET 30 Ca 0.10 -1.21 0.03 0.00 -1.03 0.00 0.00 55.69 53.59 1x4y s MET 30 Cb -0.10 -2.60 0.00 0.00 -1.53 0.00 0.00 34.83 30.60 1x4y s MET 30 CO 0.05 0.06 -0.15 -0.47 -2.03 0.00 0.00 175.02 172.48 1x4y s TYR 31 N -2.27 1.54 -0.46 3.16 5.04 -1.26 -2.68 117.35 120.42 1x4y s TYR 31 Ca 0.43 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.59 1x4y s TYR 31 Cb -0.07 -1.06 0.12 0.00 0.35 0.00 0.00 41.96 41.30 1x4y s TYR 31 CO 0.28 -0.19 0.22 0.42 -1.34 0.00 0.00 175.55 174.94 1x4y s ILE 32 N 0.23 2.92 -1.13 3.14 1.09 -1.26 -4.93 121.20 121.26 1x4y s ILE 32 Ca -0.07 -2.62 0.14 0.00 -1.10 0.00 0.00 60.65 57.01 1x4y s ILE 32 Cb -0.12 -3.02 0.16 0.00 -1.06 0.00 0.00 42.46 38.42 1x4y s ILE 32 CO 0.02 -0.73 1.44 -0.81 -0.10 0.00 0.00 174.94 174.77 1x4y n PRO 33 N 3.93 0.06 0.13 2.79 -0.04 -1.26 -3.71 135.00 136.91 1x4y n PRO 33 Ca 0.03 0.22 -0.05 0.00 -0.04 0.00 0.00 63.50 63.66 1x4y n PRO 33 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 1x4y n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4y h ALA 34 N 2.55 -1.08 -0.49 0.55 0.00 -2.06 -3.09 119.26 115.64 1x4y h ALA 34 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 1x4y h ALA 34 Cb 0.21 0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 1x4y h ALA 34 CO 0.00 -1.05 0.41 0.43 0.00 0.00 0.00 179.25 179.04 1x4y n SER 35 N -2.97 6.48 -4.68 0.00 7.64 -1.24 -4.90 113.62 113.95 1x4y n SER 35 Ca -0.04 -3.09 -0.23 0.00 1.01 0.00 0.00 58.87 56.52 1x4y n SER 35 Cb 0.14 -1.08 -0.07 0.00 -1.01 0.00 0.00 64.21 62.19 1x4y n SER 35 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x4y s ASN 36 N 0.19 4.61 -0.25 6.43 3.84 -1.17 -4.48 114.94 124.11 1x4y s ASN 36 Ca 0.35 -0.68 0.02 0.00 0.21 0.00 0.00 52.86 52.77 1x4y s ASN 36 Cb 0.27 -0.83 0.35 0.00 -0.55 0.00 0.00 41.25 40.49 1x4y s ASN 36 CO -0.03 -0.09 1.52 0.59 -2.79 0.00 0.00 177.10 176.29 1x4y n ASN 37 N -0.98 3.55 -4.20 -4.21 3.02 -1.26 -4.86 115.26 106.32 1x4y n ASN 37 Ca -0.05 -2.88 -0.37 0.00 -0.03 0.00 0.00 54.58 51.25 1x4y n ASN 37 Cb 0.60 -0.70 -0.07 0.00 -0.61 0.00 0.00 39.78 39.00 1x4y n ASN 37 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1x4y n ASN 38 N -0.36 -1.67 -4.70 6.41 3.02 -1.26 -4.89 115.26 111.82 1x4y n ASN 38 Ca 0.32 -1.01 -0.35 0.00 -0.03 0.00 0.00 54.58 53.52 1x4y n ASN 38 Cb 1.11 -1.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.71 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x4y s THR 39 N -3.02 4.36 0.28 3.41 -1.32 -1.26 -5.09 115.64 113.00 1x4y s THR 39 Ca 0.72 -0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 60.62 1x4y s THR 39 Cb -0.42 -2.86 -0.10 0.00 -1.51 0.00 0.00 72.50 67.61 1x4y s THR 39 CO 0.88 0.56 1.25 -2.16 -2.21 0.00 0.00 174.62 172.94 1x4y s PRO 40 N -1.03 4.44 -0.01 7.08 0.04 -1.26 -4.97 135.00 139.29 1x4y s PRO 40 Ca 0.15 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 1x4y s PRO 40 Cb -0.11 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1x4y s PRO 40 CO 0.04 -0.10 0.24 0.42 0.04 0.00 0.00 177.00 177.64 1x4y s ILE 41 N -0.76 5.35 -0.02 0.56 1.01 -1.26 -4.77 121.20 121.31 1x4y s ILE 41 Ca 0.50 0.11 -0.14 0.00 0.00 0.00 0.00 60.65 61.12 1x4y s ILE 41 Cb -0.37 -3.54 -0.33 0.00 0.01 0.00 0.00 42.46 38.23 1x4y s ILE 41 CO 0.45 0.39 0.81 0.45 0.00 0.00 0.00 174.94 177.04 1x4y h HIS 42 N 4.07 0.80 -0.06 3.97 3.86 -1.87 -3.44 115.15 122.47 1x4y h HIS 42 Ca -0.50 -0.58 0.00 0.00 -1.16 0.00 0.00 60.37 58.13 1x4y h HIS 42 Cb 1.20 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1x4y h HIS 42 CO 0.69 1.60 0.00 0.41 0.86 0.00 0.00 177.93 181.49 1x4y n GLY 43 N 1.78 2.28 2.96 2.45 0.00 -1.25 -3.07 105.19 110.34 1x4y n GLY 43 Ca -0.21 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1x4y n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x4y s PHE 44 N -1.18 -0.30 0.11 1.61 0.08 0.31 -3.99 117.98 114.62 1x4y s PHE 44 Ca 0.00 0.77 -0.07 0.00 0.12 0.00 0.00 56.93 57.75 1x4y s PHE 44 Cb 0.00 -0.08 -0.06 0.00 -0.57 0.00 0.00 43.02 42.31 1x4y s PHE 44 CO 0.00 -0.28 0.38 0.71 -0.10 0.00 0.00 175.22 175.93 1x4y s TYR 45 N 1.97 3.52 -0.03 0.36 2.02 0.17 0.16 117.35 125.52 1x4y s TYR 45 Ca -0.02 0.65 -0.00 0.00 -0.37 0.00 0.00 57.07 57.33 1x4y s TYR 45 Cb -0.12 -2.07 0.03 0.00 -0.40 0.00 0.00 41.96 39.40 1x4y s TYR 45 CO -0.07 0.47 0.02 0.42 -1.57 0.00 0.00 175.55 174.82 1x4y s ILE 46 N -1.54 0.10 0.06 2.71 1.01 -0.35 -0.24 121.20 122.95 1x4y s ILE 46 Ca 0.37 0.18 0.04 0.00 0.00 0.00 0.00 60.65 61.24 1x4y s ILE 46 Cb -0.13 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1x4y s ILE 46 CO 0.21 0.15 -0.00 -0.31 0.00 0.00 0.00 174.94 174.99 1x4y s TYR 47 N 1.34 3.02 0.02 3.97 1.51 -0.18 -0.13 117.35 126.89 1x4y s TYR 47 Ca -0.05 0.01 -0.27 0.00 -1.01 0.00 0.00 57.07 55.74 1x4y s TYR 47 Cb -0.13 -1.58 0.07 0.00 -0.11 0.00 0.00 41.96 40.20 1x4y s TYR 47 CO -0.03 0.47 0.62 1.52 -1.11 0.00 0.00 175.55 177.03 1x4y s TYR 48 N -1.23 -0.58 -0.27 2.71 -0.85 -1.25 -1.89 117.35 113.99 1x4y s TYR 48 Ca 0.24 0.81 -0.26 0.00 -0.52 0.00 0.00 57.07 57.33 1x4y s TYR 48 Cb -0.12 0.43 0.16 0.00 0.38 0.00 0.00 41.96 42.81 1x4y s TYR 48 CO 0.15 -0.67 1.22 -0.98 -1.52 0.00 0.00 175.55 173.76 1x4y s ARG 49 N -2.02 0.30 0.43 -3.49 1.04 -1.25 -2.13 118.95 111.83 1x4y s ARG 49 Ca -0.07 0.26 -0.24 0.00 -1.04 0.00 0.00 55.73 54.63 1x4y s ARG 49 Cb -0.00 0.14 -0.08 0.00 -2.04 0.00 0.00 34.95 32.97 1x4y s ARG 49 CO 0.02 -0.06 1.18 -1.25 -0.04 0.00 0.00 175.30 175.15 1x4y s PRO 50 N -0.23 3.88 0.65 3.89 0.04 -1.26 -4.00 135.00 137.97 1x4y s PRO 50 Ca 0.05 1.82 0.33 0.00 0.04 0.00 0.00 61.00 63.24 1x4y s PRO 50 Cb -0.04 -2.53 1.81 0.00 0.04 0.00 0.00 34.50 33.79 1x4y s PRO 50 CO -0.09 -0.46 2.02 0.00 0.04 0.00 0.00 177.00 178.51 1x4y h THR 51 N 2.08 0.00 0.00 1.26 1.03 -1.95 0.30 112.91 115.62 1x4y h THR 51 Ca -0.49 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 65.79 1x4y h THR 51 Cb 1.24 0.74 -0.02 0.00 -1.07 0.00 0.00 68.15 69.05 1x4y h THR 51 CO 0.61 0.00 -0.58 0.44 -0.01 0.00 0.00 175.52 175.98 1x4y h ASP 52 N 0.00 0.00 -2.20 0.00 5.19 -1.93 -3.46 116.42 114.02 1x4y h ASP 52 Ca 0.00 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.83 1x4y h ASP 52 Cb 0.46 0.00 0.19 0.00 0.18 0.00 0.00 39.33 40.16 1x4y h ASP 52 CO 0.00 0.58 -1.15 -1.20 -3.12 0.00 0.00 179.24 174.35 1x4y n SER 53 N -3.53 -3.66 0.14 6.45 7.64 0.10 -4.92 113.62 115.84 1x4y n SER 53 Ca -0.00 0.56 -0.08 0.00 1.01 0.00 0.00 58.87 60.36 1x4y n SER 53 Cb 0.66 -0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 1x4y n SER 53 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1x4y h ASP 54 N -0.22 -0.36 -3.24 6.43 3.58 -1.89 -3.49 116.42 117.22 1x4y h ASP 54 Ca -0.42 -0.08 -0.16 0.00 0.42 0.00 0.00 57.03 56.78 1x4y h ASP 54 Cb 1.41 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.52 1x4y h ASP 54 CO 0.39 0.10 -0.01 -0.46 -2.88 0.00 0.00 179.24 176.38 1x4y n ASN 55 N -5.06 -1.35 -0.24 2.28 0.23 -1.26 -5.01 115.26 104.86 1x4y n ASN 55 Ca -0.07 -2.46 0.32 0.00 -0.53 0.00 0.00 54.58 51.84 1x4y n ASN 55 Cb 0.21 2.40 0.70 0.00 -2.08 0.00 0.00 39.78 41.02 1x4y n ASN 55 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1x4y h ASP 56 N 1.61 0.00 0.00 0.53 3.04 -1.98 0.18 116.42 119.80 1x4y h ASP 56 Ca -0.24 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1x4y h ASP 56 Cb 0.98 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 1x4y h ASP 56 CO 0.31 0.00 0.55 -1.28 -2.04 0.00 0.00 179.24 176.78 1x4y h SER 57 N 0.00 0.00 0.23 4.15 0.87 -2.01 0.62 113.55 117.41 1x4y h SER 57 Ca 0.49 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.71 1x4y h SER 57 Cb 2.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.17 1x4y h SER 57 CO -0.01 0.00 -1.80 0.44 -0.53 0.00 0.00 176.83 174.93 1x4y h ASP 58 N 0.00 0.47 -0.96 6.23 3.32 -1.03 -3.47 116.42 120.98 1x4y h ASP 58 Ca 0.00 -0.82 -0.81 0.00 0.02 0.00 0.00 57.03 55.42 1x4y h ASP 58 Cb 1.10 -0.15 0.02 0.00 0.22 0.00 0.00 39.33 40.52 1x4y h ASP 58 CO 0.00 1.71 0.46 -1.22 -1.72 0.00 0.00 179.24 178.47 1x4y n TYR 59 N -3.49 1.33 -2.39 4.55 4.01 0.22 -4.88 117.16 116.50 1x4y n TYR 59 Ca -0.25 1.07 -0.13 0.00 -0.16 0.00 0.00 57.90 58.43 1x4y n TYR 59 Cb 1.06 -2.09 0.07 0.00 -0.31 0.00 0.00 39.34 38.06 1x4y n TYR 59 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1x4y n LYS 60 N 3.04 0.17 -3.50 -0.72 5.02 -0.91 -4.87 118.16 116.39 1x4y n LYS 60 Ca 0.26 -1.47 -0.15 0.00 -2.02 0.00 0.00 58.31 54.94 1x4y n LYS 60 Cb -0.01 -0.38 -0.12 0.00 -0.02 0.00 0.00 35.03 34.50 1x4y n LYS 60 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x4y s LYS 61 N -3.91 0.22 -0.32 1.97 2.20 -1.25 -3.89 119.74 114.77 1x4y s LYS 61 Ca 0.36 0.43 -0.02 0.00 -0.36 0.00 0.00 55.97 56.38 1x4y s LYS 61 Cb -0.02 -0.73 0.06 0.00 -1.51 0.00 0.00 37.83 35.63 1x4y s LYS 61 CO 0.24 -0.56 0.03 -0.51 -0.36 0.00 0.00 175.35 174.20 1x4y s ASP 62 N 2.41 4.97 0.58 1.43 1.11 0.81 -4.86 116.67 123.11 1x4y s ASP 62 Ca 0.07 -1.34 -0.17 0.00 0.18 0.00 0.00 52.55 51.29 1x4y s ASP 62 Cb -0.15 -1.74 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 1x4y s ASP 62 CO -0.12 -0.30 1.07 -0.32 1.18 0.00 0.00 175.17 176.68 1x4y s MET 63 N 1.25 3.31 -0.01 8.23 1.75 -1.26 -1.21 119.30 131.37 1x4y s MET 63 Ca -0.03 1.29 -0.05 0.00 -1.25 0.00 0.00 55.69 55.64 1x4y s MET 63 Cb -0.20 -2.03 0.00 0.00 2.84 0.00 0.00 34.83 35.44 1x4y s MET 63 CO -0.01 -0.82 0.11 0.08 -0.65 0.00 0.00 175.02 173.72 1x4y s VAL 64 N -2.31 0.06 0.36 10.11 1.01 0.44 -4.89 120.40 125.19 1x4y s VAL 64 Ca 0.65 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1x4y s VAL 64 Cb -0.17 -0.33 -0.14 0.00 0.00 0.00 0.00 36.38 35.73 1x4y s VAL 64 CO 0.34 -0.28 0.56 -0.62 0.00 0.00 0.00 175.10 175.10 1x4y n GLU 65 N 1.94 0.53 -0.09 2.72 -0.58 -1.26 0.11 120.64 124.01 1x4y n GLU 65 Ca -0.20 0.19 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1x4y n GLU 65 Cb 0.56 -1.42 0.23 0.00 -0.57 0.00 0.00 31.44 30.25 1x4y n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1x4y h GLY 66 N 0.95 0.79 2.00 0.62 0.00 -1.80 -1.93 103.07 103.70 1x4y h GLY 66 Ca -0.38 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1x4y h GLY 66 CO 0.53 0.42 0.00 1.29 0.00 0.00 0.00 176.54 178.78 1x4y h ASP 67 N 0.71 0.00 -3.51 0.19 2.03 -1.89 -3.44 116.42 110.52 1x4y h ASP 67 Ca 0.16 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.93 1x4y h ASP 67 Cb 0.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.76 1x4y h ASP 67 CO -0.00 0.00 0.36 -0.60 -1.03 0.00 0.00 179.24 177.97 1x4y s ARG 68 N -3.33 4.64 0.00 4.15 6.06 -0.73 -4.93 118.95 124.81 1x4y s ARG 68 Ca 0.06 1.43 0.07 0.00 -2.50 0.00 0.00 55.73 54.78 1x4y s ARG 68 Cb 0.09 -3.41 0.17 0.00 0.06 0.00 0.00 34.95 31.86 1x4y s ARG 68 CO 0.56 0.11 1.09 0.66 -2.50 0.00 0.00 175.30 175.23 1x4y n TYR 69 N 3.21 0.24 -3.94 5.12 4.02 -1.26 -4.80 117.16 119.74 1x4y n TYR 69 Ca 0.04 -0.43 -0.09 0.00 -0.01 0.00 0.00 57.90 57.41 1x4y n TYR 69 Cb 0.50 -0.03 -0.09 0.00 -0.02 0.00 0.00 39.34 39.69 1x4y n TYR 69 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 176.86 177.52 1x4y s TRP 70 N -0.94 0.23 -0.19 -0.72 1.48 -1.26 -2.18 118.94 115.36 1x4y s TRP 70 Ca 0.13 -0.55 -0.16 0.00 -1.06 0.00 0.00 56.10 54.46 1x4y s TRP 70 Cb 0.07 -0.16 0.05 0.00 -1.16 0.00 0.00 33.47 32.27 1x4y s TRP 70 CO 0.10 -0.36 0.50 -1.58 -4.06 0.00 0.00 176.95 171.54 1x4y s HIS 71 N -2.66 -0.58 -0.38 1.66 2.46 -1.11 -5.01 115.29 109.67 1x4y s HIS 71 Ca -0.05 1.37 -0.06 0.00 0.47 0.00 0.00 55.06 56.80 1x4y s HIS 71 Cb -0.01 0.22 0.07 0.00 -0.13 0.00 0.00 32.58 32.74 1x4y s HIS 71 CO -0.05 -0.29 0.18 -1.54 -2.47 0.00 0.00 174.74 170.57 1x4y s SER 72 N 0.51 5.38 0.48 9.88 1.04 -1.26 -2.58 113.70 127.15 1x4y s SER 72 Ca -0.02 -1.51 -0.22 0.00 0.48 0.00 0.00 55.95 54.69 1x4y s SER 72 Cb -0.04 -1.89 -0.07 0.00 0.10 0.00 0.00 66.02 64.12 1x4y s SER 72 CO -0.03 -0.45 1.12 -0.63 0.98 0.00 0.00 173.24 174.23 1x4y s ILE 73 N 1.33 3.31 0.27 -1.02 1.01 0.14 -4.82 121.20 121.42 1x4y s ILE 73 Ca 0.02 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.59 1x4y s ILE 73 Cb -0.22 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1x4y s ILE 73 CO 0.00 -0.09 0.14 -0.44 0.00 0.00 0.00 174.94 174.56 1x4y s SER 74 N -1.60 1.08 -0.80 3.58 0.01 -1.26 -1.73 113.70 112.98 1x4y s SER 74 Ca 0.66 -1.47 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 1x4y s SER 74 Cb -0.24 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1x4y s SER 74 CO 0.29 -0.84 0.68 1.41 0.41 0.00 0.00 173.24 175.20 1x4y n HIS 75 N -0.47 -1.59 -4.11 2.43 8.25 -1.02 -4.98 115.22 113.73 1x4y n HIS 75 Ca 0.01 0.61 -0.29 0.00 -0.26 0.00 0.00 57.72 57.80 1x4y n HIS 75 Cb 0.65 -3.73 -0.02 0.00 1.12 0.00 0.00 29.99 28.02 1x4y n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1x4y s LEU 76 N -4.84 2.51 -0.05 2.41 1.43 -1.15 -5.09 118.68 113.90 1x4y s LEU 76 Ca 0.18 -1.40 -0.10 0.00 -1.03 0.00 0.00 54.13 51.78 1x4y s LEU 76 Cb -0.08 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1x4y s LEU 76 CO 0.46 -1.12 0.27 -1.10 0.23 0.00 0.00 176.35 175.09 1x4y s GLN 77 N -4.22 3.66 0.68 1.70 1.11 -1.26 -4.58 119.66 116.75 1x4y s GLN 77 Ca 0.25 0.11 -0.14 0.00 0.01 0.00 0.00 55.36 55.59 1x4y s GLN 77 Cb -0.02 -3.19 0.01 0.00 -1.01 0.00 0.00 33.01 28.80 1x4y s GLN 77 CO 0.16 0.73 1.11 -1.25 0.01 0.00 0.00 175.29 176.04 1x4y s PRO 78 N -1.13 2.70 -0.51 2.91 0.04 -1.17 -3.31 135.00 134.53 1x4y s PRO 78 Ca 0.20 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 1x4y s PRO 78 Cb -0.14 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1x4y s PRO 78 CO 0.09 -1.32 0.16 -0.85 0.04 0.00 0.00 177.00 175.12 1x4y n GLU 79 N -2.61 -1.79 -3.67 4.56 0.28 -0.37 -4.82 120.64 112.21 1x4y n GLU 79 Ca 0.10 0.04 -0.39 0.00 -0.16 0.00 0.00 57.16 56.75 1x4y n GLU 79 Cb 0.52 -3.23 -0.11 0.00 1.43 0.00 0.00 31.44 30.05 1x4y n GLU 79 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1x4y s THR 80 N -1.86 3.99 -0.45 3.84 2.01 -1.21 -4.87 115.64 117.09 1x4y s THR 80 Ca 0.23 -1.34 -0.29 0.00 0.31 0.00 0.00 61.69 60.59 1x4y s THR 80 Cb -0.13 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.00 1x4y s THR 80 CO 0.28 -0.40 1.31 -0.55 -0.69 0.00 0.00 174.62 174.57 1x4y s SER 81 N 1.81 6.42 0.10 3.53 0.15 -1.26 -3.76 113.70 120.69 1x4y s SER 81 Ca 0.02 0.63 0.03 0.00 0.70 0.00 0.00 55.95 57.33 1x4y s SER 81 Cb -0.22 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1x4y s SER 81 CO 0.02 -1.40 -0.09 -0.72 1.20 0.00 0.00 173.24 172.25 1x4y s TYR 82 N 5.15 1.03 0.51 3.44 -0.85 -1.26 -4.41 117.35 120.97 1x4y s TYR 82 Ca 0.55 -0.73 -0.18 0.00 -0.52 0.00 0.00 57.07 56.20 1x4y s TYR 82 Cb -0.11 -0.56 -0.08 0.00 0.38 0.00 0.00 41.96 41.59 1x4y s TYR 82 CO 0.32 -0.03 1.00 -0.51 -1.52 0.00 0.00 175.55 174.81 1x4y s ASP 83 N -2.66 6.49 -0.04 -0.18 1.11 -1.26 -3.29 116.67 116.83 1x4y s ASP 83 Ca 0.08 1.67 -0.03 0.00 0.18 0.00 0.00 52.55 54.46 1x4y s ASP 83 Cb -0.00 -2.52 0.02 0.00 1.07 0.00 0.00 42.92 41.48 1x4y s ASP 83 CO -0.01 -0.68 0.10 -0.63 1.18 0.00 0.00 175.17 175.13 1x4y s ILE 84 N -2.45 -0.02 0.33 0.77 1.01 0.22 -3.88 121.20 117.17 1x4y s ILE 84 Ca 0.61 0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.42 1x4y s ILE 84 Cb -0.12 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 1x4y s ILE 84 CO 0.28 0.04 0.26 -1.59 0.00 0.00 0.00 174.94 173.93 1x4y s LYS 85 N 0.57 1.74 0.21 2.79 -2.85 -0.80 -0.11 119.74 121.29 1x4y s LYS 85 Ca -0.04 -2.01 -0.23 0.00 -1.00 0.00 0.00 55.97 52.69 1x4y s LYS 85 Cb -0.06 0.25 0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1x4y s LYS 85 CO -0.02 -0.62 0.88 0.00 0.10 0.00 0.00 175.35 175.68 1x4y s MET 86 N -3.51 1.45 -0.15 1.78 0.23 -1.26 -1.01 119.30 116.82 1x4y s MET 86 Ca 0.39 -0.82 -0.30 0.00 -1.03 0.00 0.00 55.69 53.94 1x4y s MET 86 Cb 0.03 0.48 0.11 0.00 -1.53 0.00 0.00 34.83 33.92 1x4y s MET 86 CO 0.26 -0.67 0.93 -1.14 -2.03 0.00 0.00 175.02 172.37 1x4y s GLN 87 N -3.38 0.69 0.23 3.16 -0.44 0.66 -0.47 119.66 120.11 1x4y s GLN 87 Ca 0.13 0.24 0.01 0.00 -2.50 0.00 0.00 55.36 53.24 1x4y s GLN 87 Cb -0.03 0.33 -0.04 0.00 -1.64 0.00 0.00 33.01 31.63 1x4y s GLN 87 CO 0.04 -0.20 0.40 0.00 0.50 0.00 0.00 175.29 176.04 1x4y s PHE 89 N -1.96 1.40 -0.08 0.00 -0.71 -1.26 -0.90 117.98 114.47 1x4y s PHE 89 Ca 0.37 -1.47 -0.32 0.00 -1.04 0.00 0.00 56.93 54.47 1x4y s PHE 89 Cb -0.10 -0.43 0.12 0.00 -1.21 0.00 0.00 43.02 41.40 1x4y s PHE 89 CO 0.30 -0.96 1.17 1.21 -1.34 0.00 0.00 175.22 175.60 1x4y s ASN 90 N -3.29 -0.14 0.54 1.98 2.47 -0.82 -2.61 114.94 113.06 1x4y s ASN 90 Ca 0.36 -0.08 0.41 0.00 0.42 0.00 0.00 52.86 53.98 1x4y s ASN 90 Cb 0.02 0.21 1.61 0.00 -1.45 0.00 0.00 41.25 41.63 1x4y s ASN 90 CO 0.23 -0.36 1.70 1.05 -3.72 0.00 0.00 177.10 176.00 1x4y h GLU 91 N 2.00 0.02 -0.09 0.43 4.11 -1.97 0.51 114.58 119.59 1x4y h GLU 91 Ca -0.19 -0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.06 1x4y h GLU 91 Cb 1.19 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 1x4y h GLU 91 CO 0.26 0.01 -0.66 0.78 0.07 0.00 0.00 179.01 179.47 1x4y h GLY 92 N 0.02 0.68 0.00 1.06 0.00 -1.92 -3.50 103.07 99.42 1x4y h GLY 92 Ca 0.73 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1x4y h GLY 92 CO -0.05 0.90 0.00 0.61 0.00 0.00 0.00 176.54 178.01 1x4y n GLY 93 N 0.79 1.00 3.91 4.60 0.00 0.18 -4.61 105.19 111.06 1x4y n GLY 93 Ca -0.08 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 1x4y n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4y s GLU 94 N -2.00 3.06 0.40 1.61 8.01 -1.26 -1.94 118.70 126.58 1x4y s GLU 94 Ca 0.00 0.12 0.05 0.00 0.01 0.00 0.00 54.97 55.15 1x4y s GLU 94 Cb 0.00 -2.25 0.05 0.00 -4.31 0.00 0.00 34.13 27.62 1x4y s GLU 94 CO 0.00 -0.64 0.41 0.45 0.01 0.00 0.00 175.26 175.49 1x4y n SER 95 N -2.58 1.94 -4.70 -0.19 2.88 -0.08 -4.61 113.62 106.28 1x4y n SER 95 Ca 0.04 -2.25 -0.30 0.00 -1.33 0.00 0.00 58.87 55.03 1x4y n SER 95 Cb 0.57 -0.14 0.14 0.00 -0.75 0.00 0.00 64.21 64.02 1x4y n SER 95 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x4y s GLU 96 N -3.73 1.35 -0.30 -1.46 0.41 -1.05 -4.81 118.70 109.12 1x4y s GLU 96 Ca 0.31 1.18 -0.29 0.00 -0.41 0.00 0.00 54.97 55.76 1x4y s GLU 96 Cb -0.02 -1.79 0.01 0.00 -1.78 0.00 0.00 34.13 30.54 1x4y s GLU 96 CO 0.20 -2.28 1.11 -0.06 -0.49 0.00 0.00 175.26 173.74 1x4y s PHE 97 N -2.79 3.09 1.09 1.61 0.40 -1.26 -4.62 117.98 115.50 1x4y s PHE 97 Ca 0.64 1.18 -0.15 0.00 -0.60 0.00 0.00 56.93 57.99 1x4y s PHE 97 Cb -0.20 -3.66 0.15 0.00 0.51 0.00 0.00 43.02 39.82 1x4y s PHE 97 CO 0.58 -0.91 0.44 -1.13 0.70 0.00 0.00 175.22 174.89 1x4y n SER 98 N 6.88 -1.94 -4.42 1.36 3.41 0.38 -4.94 113.62 114.35 1x4y n SER 98 Ca 0.12 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 1x4y n SER 98 Cb 0.47 -1.13 0.24 0.00 -0.26 0.00 0.00 64.21 63.53 1x4y n SER 98 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1x4y n ASN 99 N -2.70 -1.91 -4.33 4.04 6.94 -1.26 -4.57 115.26 111.46 1x4y n ASN 99 Ca 0.03 -0.15 -0.39 0.00 -0.02 0.00 0.00 54.58 54.05 1x4y n ASN 99 Cb 0.58 -1.19 -0.12 0.00 -2.36 0.00 0.00 39.78 36.69 1x4y n ASN 99 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1x4y s VAL 100 N -2.36 4.21 -0.14 3.53 1.01 -1.26 -4.44 120.40 120.95 1x4y s VAL 100 Ca 0.66 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1x4y s VAL 100 Cb -0.22 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1x4y s VAL 100 CO 0.66 -0.19 0.05 -0.04 0.00 0.00 0.00 175.10 175.58 1x4y s MET 101 N 1.49 3.56 -0.51 2.72 -1.94 0.84 -4.84 119.30 120.61 1x4y s MET 101 Ca 0.01 -0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 53.52 1x4y s MET 101 Cb -0.19 -3.06 0.12 0.00 2.01 0.00 0.00 34.83 33.71 1x4y s MET 101 CO 0.05 0.50 0.42 0.42 -0.01 0.00 0.00 175.02 176.40 1x4y s ILE 102 N -0.28 4.76 -0.40 2.53 1.01 -1.26 0.69 121.20 128.25 1x4y s ILE 102 Ca 0.08 -1.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.03 1x4y s ILE 102 Cb -0.12 -4.07 0.06 0.00 0.01 0.00 0.00 42.46 38.33 1x4y s ILE 102 CO 0.02 -0.81 0.24 0.00 0.00 0.00 0.00 174.94 174.39 1x4y s GLU 104 N 1.49 4.33 1.20 0.00 2.12 -1.26 -4.38 118.70 122.20 1x4y s GLU 104 Ca 0.02 1.68 -0.16 0.00 0.36 0.00 0.00 54.97 56.87 1x4y s GLU 104 Cb -0.21 -3.59 0.29 0.00 0.26 0.00 0.00 34.13 30.87 1x4y s GLU 104 CO 0.04 -0.49 1.03 0.95 -0.54 0.00 0.00 175.26 176.25 1x4y s THR 105 N 2.42 1.76 0.41 -1.70 -4.23 -1.25 -4.65 115.64 108.40 1x4y s THR 105 Ca 0.56 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.94 1x4y s THR 105 Cb -0.24 -2.23 -0.07 0.00 1.34 0.00 0.00 72.50 71.29 1x4y s THR 105 CO 0.21 0.00 0.80 -0.54 -0.54 0.00 0.00 174.62 174.55 1x4y s LYS 106 N -4.86 3.86 0.26 3.99 1.02 -1.18 -3.75 119.74 119.07 1x4y s LYS 106 Ca 0.68 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.97 1x4y s LYS 106 Cb -0.18 -2.35 -0.10 0.00 -0.52 0.00 0.00 37.83 34.68 1x4y s LYS 106 CO 0.60 -0.03 1.32 0.00 -0.92 0.00 0.00 175.35 176.32 1x4y s ALA 107 N -2.33 3.53 -2.17 5.17 0.00 -1.26 -1.24 121.76 123.47 1x4y s ALA 107 Ca 0.53 1.19 0.17 0.00 0.00 0.00 0.00 51.96 53.85 1x4y s ALA 107 Cb -0.10 -3.49 0.64 0.00 0.00 0.00 0.00 23.12 20.17 1x4y s ALA 107 CO 0.28 -0.59 1.47 2.89 0.00 0.00 0.00 175.76 179.81 1x4y n ARG 108 N 1.91 1.66 -1.66 0.00 -4.01 -1.26 -4.82 116.66 108.48 1x4y n ARG 108 Ca 0.04 -1.01 -0.52 0.00 -1.04 0.00 0.00 57.85 55.33 1x4y n ARG 108 Cb 0.42 -1.34 -0.06 0.00 -3.04 0.00 0.00 32.46 28.44 1x4y n ARG 108 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1x4y n SER 109 N 0.25 2.52 0.00 2.89 2.88 -1.26 -4.87 113.62 116.03 1x4y n SER 109 Ca 0.14 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1x4y n SER 109 Cb 0.29 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1x4y n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4y n GLY 110 N 3.58 3.09 3.71 0.46 0.00 -1.26 -5.16 105.19 109.61 1x4y n GLY 110 Ca 0.21 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 1x4y n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4y s PRO 111 N -2.03 1.15 -0.18 1.61 0.04 -1.26 -5.06 135.00 129.26 1x4y s PRO 111 Ca 0.00 0.78 -0.04 0.00 0.04 0.00 0.00 61.00 61.78 1x4y s PRO 111 Cb 0.00 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.80 1x4y s PRO 111 CO 0.00 -2.30 0.08 0.45 0.04 0.00 0.00 177.00 175.27 1x4y s SER 112 N -3.42 2.53 -0.45 6.66 0.15 -1.26 -5.11 113.70 112.80 1x4y s SER 112 Ca 0.64 -0.70 -0.13 0.00 0.70 0.00 0.00 55.95 56.46 1x4y s SER 112 Cb -0.18 -0.32 0.07 0.00 -1.71 0.00 0.00 66.02 63.88 1x4y s SER 112 CO 0.57 -0.35 0.34 -0.55 1.20 0.00 0.00 173.24 174.45 1x4y s SER 113 N 2.08 5.97 0.00 5.45 0.15 -1.26 -5.36 113.70 120.73 1x4y s SER 113 Ca 0.02 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1x4y s SER 113 Cb -0.16 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1x4y s SER 113 CO -0.10 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.36