#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 2.06 -0.22 1.61 2.88 -1.26 -4.87 113.62 113.83 1x4y n SER 2 Ca 0.00 1.18 -0.05 0.00 -1.33 0.00 0.00 58.87 58.67 1x4y n SER 2 Cb 0.00 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 1x4y n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x4y h SER 3 N 2.69 -1.23 0.00 -3.46 0.87 -2.11 -3.46 113.55 106.86 1x4y h SER 3 Ca -0.43 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1x4y h SER 3 Cb 1.31 0.60 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 1x4y h SER 3 CO 0.65 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.25 1x4y n GLY 4 N -1.43 3.75 3.64 5.77 0.00 -1.26 -5.18 105.19 110.48 1x4y n GLY 4 Ca 0.04 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 1x4y n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4y s SER 5 N 1.72 -0.35 -0.45 1.61 0.15 -1.26 -5.11 113.70 110.02 1x4y s SER 5 Ca 0.00 0.60 -0.27 0.00 0.70 0.00 0.00 55.95 56.98 1x4y s SER 5 Cb 0.00 0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 65.24 1x4y s SER 5 CO 0.00 -0.10 1.99 -0.44 1.20 0.00 0.00 173.24 175.89 1x4y s SER 6 N 0.89 5.34 0.03 5.45 0.01 -1.26 -4.91 113.70 119.25 1x4y s SER 6 Ca -0.04 1.00 -0.01 0.00 1.31 0.00 0.00 55.95 58.21 1x4y s SER 6 Cb -0.04 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 1x4y s SER 6 CO -0.12 -2.20 -0.02 -0.83 0.41 0.00 0.00 173.24 170.48 1x4y s GLY 7 N 8.25 0.29 0.29 3.44 0.00 -1.26 -4.20 107.32 114.13 1x4y s GLY 7 Ca 0.81 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 44.50 1x4y s GLY 7 CO 0.28 -0.82 1.24 2.56 0.00 0.00 0.00 173.10 176.36 1x4y s PRO 8 N -2.13 4.45 0.00 2.90 0.04 -1.26 -4.94 135.00 134.07 1x4y s PRO 8 Ca -0.10 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.00 1x4y s PRO 8 Cb -0.05 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1x4y s PRO 8 CO -0.03 -0.07 0.00 1.33 0.04 0.00 0.00 177.00 178.27 1x4y n VAL 9 N 1.27 0.00 -0.34 -0.36 0.24 -1.26 -3.85 118.33 114.03 1x4y n VAL 9 Ca 0.01 0.00 0.25 0.00 -2.04 0.00 0.00 64.34 62.56 1x4y n VAL 9 Cb 0.43 -0.44 0.53 0.00 -1.47 0.00 0.00 33.84 32.88 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 2.30 -3.25 2.33 0.00 -1.92 -3.04 119.26 115.68 1x4y h ALA 10 Ca 0.00 0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.30 1x4y h ALA 10 Cb 0.78 0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.45 1x4y h ALA 10 CO 0.00 -0.75 -1.19 0.41 0.00 0.00 0.00 179.25 177.73 1x4y n GLY 11 N -1.47 -3.36 3.76 0.00 0.00 -1.26 -4.83 105.19 98.03 1x4y n GLY 11 Ca 0.27 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.24 2.20 -0.14 1.61 0.04 -1.26 -4.75 135.00 128.46 1x4y s PRO 12 Ca 0.00 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.18 1x4y s PRO 12 Cb 0.00 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1x4y s PRO 12 CO 0.00 -1.68 -0.05 -0.47 0.04 0.00 0.00 177.00 174.84 1x4y s TYR 13 N -2.91 1.46 -0.05 0.56 5.04 -0.62 -4.52 117.35 116.31 1x4y s TYR 13 Ca 0.61 -0.83 -0.30 0.00 -2.44 0.00 0.00 57.07 54.12 1x4y s TYR 13 Cb -0.17 -1.21 -0.04 0.00 0.35 0.00 0.00 41.96 40.89 1x4y s TYR 13 CO 0.56 -0.54 1.38 0.42 -1.34 0.00 0.00 175.55 176.02 1x4y s ILE 14 N 1.71 3.91 0.00 3.14 1.01 -1.26 -0.29 121.20 129.42 1x4y s ILE 14 Ca 0.03 1.22 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1x4y s ILE 14 Cb -0.14 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.55 1x4y s ILE 14 CO -0.08 -0.04 0.31 1.07 0.00 0.00 0.00 174.94 176.20 1x4y n THR 15 N 4.94 0.00 -3.66 2.92 5.66 -1.00 -4.96 114.28 118.18 1x4y n THR 15 Ca 0.14 -0.37 -0.18 0.00 -3.05 0.00 0.00 64.05 60.58 1x4y n THR 15 Cb 0.44 1.21 -0.17 0.00 -1.55 0.00 0.00 70.33 70.27 1x4y n THR 15 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 1x4y s PHE 16 N -0.12 -0.07 -0.12 1.09 2.19 -1.13 -5.01 117.98 114.82 1x4y s PHE 16 Ca 0.00 0.43 -0.03 0.00 0.33 0.00 0.00 56.93 57.66 1x4y s PHE 16 Cb 0.00 -0.37 0.05 0.00 -1.31 0.00 0.00 43.02 41.39 1x4y s PHE 16 CO 0.00 -0.25 0.06 0.95 1.83 0.00 0.00 175.22 177.81 1x4y s THR 17 N 2.24 0.05 0.03 0.12 -4.23 -1.26 -1.15 115.64 111.43 1x4y s THR 17 Ca 0.04 0.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 1x4y s THR 17 Cb -0.12 -0.48 -0.00 0.00 1.34 0.00 0.00 72.50 73.23 1x4y s THR 17 CO -0.05 -0.04 0.14 -0.62 -0.54 0.00 0.00 174.62 173.51 1x4y s ASP 18 N 2.09 0.09 -0.36 3.99 2.15 -0.28 -4.95 116.67 119.41 1x4y s ASP 18 Ca 0.03 -0.41 -0.18 0.00 0.43 0.00 0.00 52.55 52.42 1x4y s ASP 18 Cb -0.14 0.25 -0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1x4y s ASP 18 CO -0.06 -0.50 0.51 0.00 -0.17 0.00 0.00 175.17 174.94 1x4y s ALA 19 N -2.38 3.47 0.05 3.66 0.00 -1.26 0.19 121.76 125.49 1x4y s ALA 19 Ca -0.07 -1.06 0.19 0.00 0.00 0.00 0.00 51.96 51.02 1x4y s ALA 19 Cb -0.02 -3.02 0.54 0.00 0.00 0.00 0.00 23.12 20.61 1x4y s ALA 19 CO -0.03 -1.26 1.66 0.28 0.00 0.00 0.00 175.76 176.41 1x4y h VAL 20 N 5.63 0.79 -2.67 0.00 2.07 -1.65 -3.46 116.25 116.97 1x4y h VAL 20 Ca -0.28 -1.65 0.11 0.00 0.82 0.00 0.00 66.70 65.70 1x4y h VAL 20 Cb 1.12 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.91 1x4y h VAL 20 CO 0.78 0.37 0.44 0.20 0.02 0.00 0.00 177.57 179.38 1x4y s ASN 21 N -6.38 -0.07 0.50 0.57 0.01 -0.53 -4.91 114.94 104.14 1x4y s ASN 21 Ca 0.01 -0.74 0.34 0.00 -0.71 0.00 0.00 52.86 51.77 1x4y s ASN 21 Cb 0.10 0.62 1.70 0.00 0.41 0.00 0.00 41.25 44.08 1x4y s ASN 21 CO 0.69 -1.21 2.03 1.05 -1.51 0.00 0.00 177.10 178.16 1x4y h GLU 22 N 2.00 0.00 0.00 -0.60 9.09 -1.91 -2.47 114.58 120.69 1x4y h GLU 22 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 1x4y h GLU 22 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1x4y h GLU 22 CO 0.33 0.00 -0.16 0.25 0.05 0.00 0.00 179.01 179.48 1x4y n THR 23 N -2.78 0.70 -4.00 -1.06 -2.24 -1.26 -2.51 114.28 101.12 1x4y n THR 23 Ca -0.01 -0.80 -0.11 0.00 -2.27 0.00 0.00 64.05 60.86 1x4y n THR 23 Cb 0.14 0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.97 0.25 -0.05 4.28 2.01 -0.93 -2.18 115.64 118.05 1x4y s THR 24 Ca 0.09 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1x4y s THR 24 Cb 0.08 -0.33 0.04 0.00 0.01 0.00 0.00 72.50 72.29 1x4y s THR 24 CO 0.01 -0.32 0.11 -0.63 -0.69 0.00 0.00 174.62 173.10 1x4y s ILE 25 N -1.07 -0.05 -0.19 1.82 1.01 -0.45 -1.46 121.20 120.82 1x4y s ILE 25 Ca -0.10 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 1x4y s ILE 25 Cb -0.08 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 1x4y s ILE 25 CO -0.00 0.08 0.03 -0.32 0.00 0.00 0.00 174.94 174.72 1x4y s MET 26 N 1.12 3.78 -0.00 2.79 -2.45 0.13 -0.84 119.30 123.82 1x4y s MET 26 Ca -0.09 -0.44 0.01 0.00 -1.25 0.00 0.00 55.69 53.92 1x4y s MET 26 Cb -0.12 -3.13 -0.00 0.00 1.25 0.00 0.00 34.83 32.83 1x4y s MET 26 CO -0.05 0.13 -0.04 -0.48 1.05 0.00 0.00 175.02 175.64 1x4y s LEU 27 N 0.71 2.02 -0.06 4.11 2.34 -1.01 -1.12 118.68 125.67 1x4y s LEU 27 Ca 0.01 -0.09 0.06 0.00 0.06 0.00 0.00 54.13 54.18 1x4y s LEU 27 Cb -0.14 -0.18 -0.01 0.00 -0.56 0.00 0.00 46.19 45.30 1x4y s LEU 27 CO 0.02 0.03 -0.24 -0.54 -1.06 0.00 0.00 176.35 174.56 1x4y s LYS 28 N -0.15 2.49 0.17 1.48 1.02 -0.30 -2.57 119.74 121.88 1x4y s LYS 28 Ca 0.01 -0.88 0.09 0.00 0.02 0.00 0.00 55.97 55.20 1x4y s LYS 28 Cb -0.02 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1x4y s LYS 28 CO -0.00 0.37 -0.09 1.67 -0.92 0.00 0.00 175.35 176.38 1x4y s TRP 29 N -0.15 2.66 0.42 3.18 -2.14 -0.87 -2.36 118.94 119.68 1x4y s TRP 29 Ca -0.04 -0.21 0.07 0.00 2.66 0.00 0.00 56.10 58.59 1x4y s TRP 29 Cb -0.14 -1.31 -0.04 0.00 -3.10 0.00 0.00 33.47 28.88 1x4y s TRP 29 CO 0.04 0.50 0.23 0.00 -2.66 0.00 0.00 176.95 175.06 1x4y s MET 30 N -2.73 2.30 -0.03 3.25 0.23 0.60 -4.81 119.30 118.12 1x4y s MET 30 Ca 0.24 -1.78 0.02 0.00 -1.03 0.00 0.00 55.69 53.15 1x4y s MET 30 Cb -0.09 -2.08 0.01 0.00 -1.53 0.00 0.00 34.83 31.14 1x4y s MET 30 CO 0.15 -0.15 -0.07 -0.47 -2.03 0.00 0.00 175.02 172.45 1x4y s TYR 31 N -2.58 0.81 -0.59 3.16 6.14 -1.26 -1.59 117.35 121.45 1x4y s TYR 31 Ca 0.42 -0.20 -0.14 0.00 0.64 0.00 0.00 57.07 57.79 1x4y s TYR 31 Cb 0.02 -0.61 0.15 0.00 0.42 0.00 0.00 41.96 41.94 1x4y s TYR 31 CO 0.24 -0.11 0.52 0.42 0.64 0.00 0.00 175.55 177.26 1x4y s ILE 32 N 0.32 5.08 0.16 3.14 1.09 -1.26 -4.91 121.20 124.82 1x4y s ILE 32 Ca -0.04 -1.77 0.31 0.00 -1.10 0.00 0.00 60.65 58.04 1x4y s ILE 32 Cb -0.09 -4.24 0.34 0.00 -1.06 0.00 0.00 42.46 37.41 1x4y s ILE 32 CO 0.00 -0.88 1.96 1.55 -0.10 0.00 0.00 174.94 177.47 1x4y h PRO 33 N 8.55 0.00 0.00 2.79 0.13 -1.99 -3.33 132.00 138.15 1x4y h PRO 33 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1x4y h PRO 33 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1x4y h PRO 33 CO 0.95 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.79 1x4y n ALA 34 N -2.15 -0.19 -1.62 -0.56 0.00 -1.26 -2.67 120.51 112.06 1x4y n ALA 34 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1x4y n ALA 34 Cb 0.33 0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1x4y n ALA 34 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x4y n SER 35 N -2.05 7.46 -4.41 0.00 7.64 -1.25 -4.90 113.62 116.11 1x4y n SER 35 Ca 0.00 -2.97 -0.20 0.00 1.01 0.00 0.00 58.87 56.71 1x4y n SER 35 Cb 0.00 -1.37 -0.10 0.00 -1.01 0.00 0.00 64.21 61.72 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 0.91 2.73 -0.14 6.43 2.47 -1.09 -4.73 114.94 121.52 1x4y s ASN 36 Ca 0.60 -1.14 0.18 0.00 0.42 0.00 0.00 52.86 52.92 1x4y s ASN 36 Cb 0.25 -0.16 0.74 0.00 -1.45 0.00 0.00 41.25 40.63 1x4y s ASN 36 CO -0.11 -0.28 1.65 -3.20 -3.72 0.00 0.00 177.10 171.44 1x4y n ASN 37 N -0.53 4.94 -3.84 -4.21 5.15 -1.26 -4.94 115.26 110.57 1x4y n ASN 37 Ca -0.06 -2.55 -0.27 0.00 -0.60 0.00 0.00 54.58 51.10 1x4y n ASN 37 Cb 0.62 -0.60 0.03 0.00 -0.53 0.00 0.00 39.78 39.30 1x4y n ASN 37 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1x4y n ASN 38 N 1.00 -3.20 -4.81 1.20 5.15 -1.26 -4.97 115.26 108.37 1x4y n ASN 38 Ca 0.26 -0.81 -0.36 0.00 -0.60 0.00 0.00 54.58 53.07 1x4y n ASN 38 Cb 0.95 -3.90 -0.07 0.00 -0.53 0.00 0.00 39.78 36.23 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1x4y s THR 39 N -3.47 5.08 0.28 -0.44 -1.32 -1.26 -5.08 115.64 109.43 1x4y s THR 39 Ca 0.38 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.58 1x4y s THR 39 Cb -0.19 -3.21 -0.10 0.00 -1.51 0.00 0.00 72.50 67.49 1x4y s THR 39 CO 0.83 0.59 1.24 -2.16 -2.21 0.00 0.00 174.62 172.91 1x4y s PRO 40 N -1.07 4.45 -0.15 7.08 0.04 -1.26 -4.96 135.00 139.13 1x4y s PRO 40 Ca 0.15 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.18 1x4y s PRO 40 Cb -0.12 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1x4y s PRO 40 CO 0.05 -0.08 0.11 0.42 0.04 0.00 0.00 177.00 177.54 1x4y s ILE 41 N -0.85 5.23 0.11 0.56 1.01 -1.26 -4.58 121.20 121.42 1x4y s ILE 41 Ca 0.49 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 1x4y s ILE 41 Cb -0.37 -3.31 -0.11 0.00 0.01 0.00 0.00 42.46 38.68 1x4y s ILE 41 CO 0.46 0.54 1.37 0.45 0.00 0.00 0.00 174.94 177.77 1x4y h HIS 42 N 5.74 1.07 -0.32 3.97 3.86 -1.83 -3.43 115.15 124.21 1x4y h HIS 42 Ca -0.48 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 58.33 1x4y h HIS 42 Cb 1.19 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1x4y h HIS 42 CO 0.66 1.23 0.00 0.41 0.86 0.00 0.00 177.93 181.10 1x4y n GLY 43 N 0.45 1.48 2.69 2.45 0.00 -1.24 -3.80 105.19 107.21 1x4y n GLY 43 Ca -0.05 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.30 0.07 0.00 1.61 0.08 0.83 -3.75 117.98 114.53 1x4y s PHE 44 Ca 0.00 0.23 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 1x4y s PHE 44 Cb 0.00 -0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 1x4y s PHE 44 CO 0.00 -0.18 0.34 0.71 -0.10 0.00 0.00 175.22 175.99 1x4y s TYR 45 N 2.01 3.65 -0.11 0.36 2.02 0.47 0.87 117.35 126.62 1x4y s TYR 45 Ca 0.03 0.81 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 1x4y s TYR 45 Cb -0.12 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.31 1x4y s TYR 45 CO -0.03 0.62 -0.06 0.42 -1.57 0.00 0.00 175.55 174.93 1x4y s ILE 46 N -1.19 0.92 0.02 2.71 1.01 -0.67 -0.27 121.20 123.72 1x4y s ILE 46 Ca 0.25 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1x4y s ILE 46 Cb -0.15 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1x4y s ILE 46 CO 0.14 0.33 0.08 -0.31 0.00 0.00 0.00 174.94 175.18 1x4y s TYR 47 N 1.75 3.25 -0.05 3.97 1.51 0.22 -0.92 117.35 127.08 1x4y s TYR 47 Ca 0.05 0.16 -0.21 0.00 -1.01 0.00 0.00 57.07 56.06 1x4y s TYR 47 Cb -0.13 -1.70 0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1x4y s TYR 47 CO -0.08 0.54 0.47 1.52 -1.11 0.00 0.00 175.55 176.89 1x4y s TYR 48 N -1.25 -0.40 -0.21 2.71 1.13 -1.25 -2.32 117.35 115.75 1x4y s TYR 48 Ca 0.25 0.73 -0.27 0.00 -1.41 0.00 0.00 57.07 56.36 1x4y s TYR 48 Cb -0.12 0.22 0.10 0.00 -1.10 0.00 0.00 41.96 41.06 1x4y s TYR 48 CO 0.16 -0.45 0.87 -0.98 -2.51 0.00 0.00 175.55 172.64 1x4y s ARG 49 N -1.05 0.72 0.33 -3.49 1.04 -1.25 -2.05 118.95 113.19 1x4y s ARG 49 Ca -0.11 0.56 -0.28 0.00 -1.04 0.00 0.00 55.73 54.86 1x4y s ARG 49 Cb -0.03 0.35 -0.10 0.00 -2.04 0.00 0.00 34.95 33.13 1x4y s ARG 49 CO 0.06 -0.15 1.22 -1.25 -0.04 0.00 0.00 175.30 175.14 1x4y s PRO 50 N -0.25 4.39 0.62 3.89 0.04 -1.26 -3.85 135.00 138.59 1x4y s PRO 50 Ca -0.01 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.35 1x4y s PRO 50 Cb -0.03 -3.04 1.53 0.00 0.04 0.00 0.00 34.50 33.00 1x4y s PRO 50 CO 0.00 -0.09 1.91 0.00 0.04 0.00 0.00 177.00 178.87 1x4y h THR 51 N 2.94 0.22 0.00 1.26 1.03 -1.92 0.55 112.91 116.99 1x4y h THR 51 Ca -0.48 0.00 -0.10 0.00 -0.01 0.00 0.00 66.41 65.81 1x4y h THR 51 Cb 1.22 0.65 -0.01 0.00 -1.07 0.00 0.00 68.15 68.93 1x4y h THR 51 CO 0.65 0.00 -0.49 -0.78 -0.01 0.00 0.00 175.52 174.89 1x4y h ASP 52 N 0.00 0.00 -1.84 0.00 3.58 -1.91 -3.46 116.42 112.79 1x4y h ASP 52 Ca 0.11 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.03 1x4y h ASP 52 Cb 0.93 0.00 0.24 0.00 1.72 0.00 0.00 39.33 42.22 1x4y h ASP 52 CO -0.00 0.49 -2.00 -1.20 -2.88 0.00 0.00 179.24 173.66 1x4y n SER 53 N -3.48 -4.97 -0.07 2.28 7.64 0.19 -4.95 113.62 110.25 1x4y n SER 53 Ca 0.00 0.14 -0.06 0.00 1.01 0.00 0.00 58.87 59.96 1x4y n SER 53 Cb 0.61 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.06 0.00 -3.36 6.43 3.58 -1.89 -3.50 116.42 116.61 1x4y h ASP 54 Ca -0.43 -0.06 -0.22 0.00 0.42 0.00 0.00 57.03 56.74 1x4y h ASP 54 Cb 1.33 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.32 1x4y h ASP 54 CO 0.24 0.79 -0.18 -0.46 -2.88 0.00 0.00 179.24 176.75 1x4y n ASN 55 N -4.62 -0.66 0.19 2.28 0.23 -1.26 -5.01 115.26 106.41 1x4y n ASN 55 Ca -0.08 -2.24 0.18 0.00 -0.53 0.00 0.00 54.58 51.91 1x4y n ASN 55 Cb 0.27 1.33 0.76 0.00 -2.08 0.00 0.00 39.78 40.06 1x4y n ASN 55 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1x4y h ASP 56 N 1.23 0.00 -0.08 0.53 5.19 -1.97 -1.11 116.42 120.20 1x4y h ASP 56 Ca -0.16 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1x4y h ASP 56 Cb 0.73 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.24 1x4y h ASP 56 CO 0.22 0.00 0.63 -1.28 -3.12 0.00 0.00 179.24 175.69 1x4y h SER 57 N 0.00 0.00 0.16 6.45 0.87 -2.02 0.58 113.55 119.59 1x4y h SER 57 Ca 0.12 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.32 1x4y h SER 57 Cb 0.94 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1x4y h SER 57 CO -0.00 0.00 -1.91 0.44 -0.53 0.00 0.00 176.83 174.83 1x4y h ASP 58 N 0.00 0.48 -0.96 6.23 5.19 -1.59 -3.47 116.42 122.30 1x4y h ASP 58 Ca 0.04 -0.93 -0.82 0.00 -0.62 0.00 0.00 57.03 54.71 1x4y h ASP 58 Cb 1.31 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 40.68 1x4y h ASP 58 CO -0.00 1.82 0.47 -1.22 -3.12 0.00 0.00 179.24 177.19 1x4y n TYR 59 N -3.51 1.35 -2.44 4.55 4.01 0.20 -4.85 117.16 116.48 1x4y n TYR 59 Ca -0.29 1.07 -0.12 0.00 -0.16 0.00 0.00 57.90 58.40 1x4y n TYR 59 Cb 1.06 -2.09 0.06 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 3.07 0.25 -3.67 -0.72 5.02 -0.87 -4.85 118.16 116.39 1x4y n LYS 60 Ca 0.26 -1.40 -0.14 0.00 -2.02 0.00 0.00 58.31 55.02 1x4y n LYS 60 Cb -0.02 -0.34 -0.13 0.00 -0.02 0.00 0.00 35.03 34.52 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 -3.78 0.14 -0.27 1.97 2.20 -1.25 -3.87 119.74 114.88 1x4y s LYS 61 Ca 0.34 0.72 0.01 0.00 -0.36 0.00 0.00 55.97 56.68 1x4y s LYS 61 Cb -0.02 -0.05 0.05 0.00 -1.51 0.00 0.00 37.83 36.30 1x4y s LYS 61 CO 0.23 -0.28 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.36 1x4y s ASP 62 N 2.32 4.57 0.01 1.43 1.11 -0.09 -4.88 116.67 121.14 1x4y s ASP 62 Ca 0.01 -1.28 -0.30 0.00 0.18 0.00 0.00 52.55 51.15 1x4y s ASP 62 Cb -0.12 -1.62 -0.05 0.00 1.07 0.00 0.00 42.92 42.20 1x4y s ASP 62 CO -0.08 -0.21 1.25 -0.32 1.18 0.00 0.00 175.17 176.99 1x4y s MET 63 N 1.18 4.37 0.21 8.23 1.75 -1.26 -1.67 119.30 132.12 1x4y s MET 63 Ca -0.06 1.79 0.10 0.00 -1.25 0.00 0.00 55.69 56.26 1x4y s MET 63 Cb -0.19 -3.47 -0.05 0.00 2.84 0.00 0.00 34.83 33.96 1x4y s MET 63 CO -0.04 -0.40 -0.18 0.08 -0.65 0.00 0.00 175.02 173.83 1x4y s VAL 64 N 1.76 2.05 0.67 10.11 1.01 0.25 -4.93 120.40 131.33 1x4y s VAL 64 Ca 0.59 -2.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 1x4y s VAL 64 Cb -0.28 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1x4y s VAL 64 CO 0.26 -0.40 0.85 -0.62 0.00 0.00 0.00 175.10 175.18 1x4y n GLU 65 N -0.18 0.59 0.06 2.72 1.02 -1.26 -0.12 120.64 123.47 1x4y n GLU 65 Ca -0.09 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.43 1x4y n GLU 65 Cb 0.59 -2.09 0.49 0.00 -0.02 0.00 0.00 31.44 30.41 1x4y n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4y n GLY 66 N 1.33 -1.54 0.30 0.62 0.00 -1.25 -2.99 105.19 101.66 1x4y n GLY 66 Ca 0.13 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1x4y n GLY 66 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x4y n ASP 67 N -1.92 1.50 -4.71 1.61 8.00 -1.26 -4.86 116.55 114.91 1x4y n ASP 67 Ca 0.06 -1.25 -0.38 0.00 0.71 0.00 0.00 54.79 53.93 1x4y n ASP 67 Cb 0.36 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 42.00 1x4y n ASP 67 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1x4y s ARG 68 N -2.19 4.29 -0.13 -1.24 6.06 -1.16 -4.95 118.95 119.62 1x4y s ARG 68 Ca 0.13 0.40 0.15 0.00 -2.50 0.00 0.00 55.73 53.91 1x4y s ARG 68 Cb 0.14 -3.47 0.54 0.00 0.06 0.00 0.00 34.95 32.22 1x4y s ARG 68 CO 0.51 0.09 1.45 0.66 -2.50 0.00 0.00 175.30 175.51 1x4y n TYR 69 N 3.95 1.03 -3.83 5.12 4.02 -1.26 -4.79 117.16 121.40 1x4y n TYR 69 Ca -0.07 -0.73 -0.12 0.00 -0.01 0.00 0.00 57.90 56.97 1x4y n TYR 69 Cb 0.51 -0.26 -0.09 0.00 -0.02 0.00 0.00 39.34 39.48 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 -2.25 -0.02 -0.06 -0.72 1.48 -1.26 -2.04 118.94 114.06 1x4y s TRP 70 Ca 0.40 -0.05 -0.21 0.00 -1.06 0.00 0.00 56.10 55.18 1x4y s TRP 70 Cb 0.30 0.00 0.04 0.00 -1.16 0.00 0.00 33.47 32.66 1x4y s TRP 70 CO 0.14 -0.37 0.48 -1.58 -4.06 0.00 0.00 176.95 171.56 1x4y s HIS 71 N -1.75 -0.42 -0.31 1.66 2.46 -1.06 -5.00 115.29 110.86 1x4y s HIS 71 Ca -0.11 0.77 0.02 0.00 0.47 0.00 0.00 55.06 56.21 1x4y s HIS 71 Cb -0.05 0.23 0.08 0.00 -0.13 0.00 0.00 32.58 32.71 1x4y s HIS 71 CO 0.01 -0.45 -0.01 -1.54 -2.47 0.00 0.00 174.74 170.28 1x4y s SER 72 N -1.00 4.70 0.45 9.88 1.04 -1.26 -2.40 113.70 125.10 1x4y s SER 72 Ca -0.10 -1.70 -0.22 0.00 0.48 0.00 0.00 55.95 54.41 1x4y s SER 72 Cb -0.03 -1.63 -0.09 0.00 0.10 0.00 0.00 66.02 64.37 1x4y s SER 72 CO 0.06 -0.30 1.02 -0.63 0.98 0.00 0.00 173.24 174.37 1x4y s ILE 73 N 1.06 3.87 0.34 -1.02 1.01 -0.02 -4.86 121.20 121.59 1x4y s ILE 73 Ca 0.00 1.26 0.06 0.00 0.00 0.00 0.00 60.65 61.96 1x4y s ILE 73 Cb -0.20 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1x4y s ILE 73 CO -0.05 -0.16 0.21 -1.20 0.00 0.00 0.00 174.94 173.73 1x4y n SER 74 N -0.60 0.19 -3.40 3.58 7.64 -1.26 -1.34 113.62 118.43 1x4y n SER 74 Ca 0.07 -3.04 -0.18 0.00 1.01 0.00 0.00 58.87 56.74 1x4y n SER 74 Cb 0.52 1.29 0.09 0.00 -1.01 0.00 0.00 64.21 65.09 1x4y n SER 74 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1x4y n HIS 75 N -0.71 -2.25 -3.96 1.43 8.25 -0.92 -4.94 115.22 112.12 1x4y n HIS 75 Ca 0.01 0.93 -0.18 0.00 -0.26 0.00 0.00 57.72 58.23 1x4y n HIS 75 Cb 0.57 -5.02 -0.01 0.00 1.12 0.00 0.00 29.99 26.64 1x4y n HIS 75 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1x4y n LEU 76 N -4.19 0.00 -4.87 2.41 4.77 -1.13 -5.08 117.00 108.92 1x4y n LEU 76 Ca -0.24 -1.89 -0.35 0.00 -0.03 0.00 0.00 56.01 53.50 1x4y n LEU 76 Cb 0.65 0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.73 1x4y n LEU 76 CO 0.60 -0.42 -0.18 -1.10 -1.33 0.00 0.00 177.39 174.96 1x4y s GLN 77 N -3.36 3.37 0.52 3.23 1.11 -1.26 -4.63 119.66 118.64 1x4y s GLN 77 Ca 0.14 -0.25 -0.20 0.00 0.01 0.00 0.00 55.36 55.06 1x4y s GLN 77 Cb -0.01 -3.10 -0.06 0.00 -1.01 0.00 0.00 33.01 28.83 1x4y s GLN 77 CO 0.09 0.72 1.14 -1.25 0.01 0.00 0.00 175.29 176.00 1x4y s PRO 78 N -1.42 3.46 -1.28 2.91 0.04 -1.04 -3.43 135.00 134.24 1x4y s PRO 78 Ca 0.20 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1x4y s PRO 78 Cb -0.12 -2.10 0.12 0.00 0.04 0.00 0.00 34.50 32.43 1x4y s PRO 78 CO 0.10 -0.77 0.30 -0.85 0.04 0.00 0.00 177.00 175.82 1x4y n GLU 79 N -1.09 -0.84 -3.86 4.56 0.28 -0.44 -4.85 120.64 114.39 1x4y n GLU 79 Ca 0.11 0.09 -0.35 0.00 -0.16 0.00 0.00 57.16 56.85 1x4y n GLU 79 Cb 0.50 -3.13 -0.13 0.00 1.43 0.00 0.00 31.44 30.11 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 -3.04 3.02 -0.45 3.84 2.01 -1.22 -4.90 115.64 114.91 1x4y s THR 80 Ca 0.42 -1.90 -0.29 0.00 0.31 0.00 0.00 61.69 60.24 1x4y s THR 80 Cb -0.24 -2.99 0.01 0.00 0.01 0.00 0.00 72.50 69.28 1x4y s THR 80 CO 0.73 -0.49 1.42 -0.55 -0.69 0.00 0.00 174.62 175.04 1x4y s SER 81 N 1.50 6.27 0.10 3.53 0.15 -1.26 -3.95 113.70 120.04 1x4y s SER 81 Ca 0.04 0.69 0.03 0.00 0.70 0.00 0.00 55.95 57.42 1x4y s SER 81 Cb -0.21 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.52 1x4y s SER 81 CO -0.04 -1.52 -0.09 -0.72 1.20 0.00 0.00 173.24 172.08 1x4y s TYR 82 N 5.65 1.01 0.56 3.44 -0.85 -1.26 -4.38 117.35 121.51 1x4y s TYR 82 Ca 0.59 -0.77 -0.17 0.00 -0.52 0.00 0.00 57.07 56.21 1x4y s TYR 82 Cb -0.13 -0.55 -0.05 0.00 0.38 0.00 0.00 41.96 41.60 1x4y s TYR 82 CO 0.31 -0.05 1.04 0.16 -1.52 0.00 0.00 175.55 175.49 1x4y s ASP 83 N -2.77 6.04 -0.08 -0.18 1.47 -1.25 -3.37 116.67 116.54 1x4y s ASP 83 Ca 0.09 1.79 -0.05 0.00 1.18 0.00 0.00 52.55 55.56 1x4y s ASP 83 Cb 0.01 -2.53 0.03 0.00 -0.34 0.00 0.00 42.92 40.09 1x4y s ASP 83 CO -0.02 -0.99 0.19 -0.63 0.68 0.00 0.00 175.17 174.41 1x4y s ILE 84 N -2.39 -0.02 0.21 2.11 1.01 -0.08 -3.83 121.20 118.20 1x4y s ILE 84 Ca 0.63 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 61.28 1x4y s ILE 84 Cb -0.15 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.02 1x4y s ILE 84 CO 0.33 0.03 0.32 -1.59 0.00 0.00 0.00 174.94 174.03 1x4y s LYS 85 N 0.65 1.32 0.27 2.79 -2.85 -0.98 -0.94 119.74 120.00 1x4y s LYS 85 Ca -0.05 -1.32 -0.11 0.00 -1.00 0.00 0.00 55.97 53.50 1x4y s LYS 85 Cb -0.06 0.39 -0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1x4y s LYS 85 CO -0.03 -0.50 0.47 0.00 0.10 0.00 0.00 175.35 175.39 1x4y s MET 86 N -4.04 1.62 -0.18 1.78 0.23 -1.26 -0.61 119.30 116.84 1x4y s MET 86 Ca 0.25 -1.36 -0.27 0.00 -1.03 0.00 0.00 55.69 53.28 1x4y s MET 86 Cb 0.03 0.46 0.07 0.00 -1.53 0.00 0.00 34.83 33.86 1x4y s MET 86 CO 0.07 -0.67 0.70 -1.14 -2.03 0.00 0.00 175.02 171.95 1x4y s GLN 87 N -3.80 0.93 0.40 3.16 -0.44 0.62 -1.72 119.66 118.81 1x4y s GLN 87 Ca 0.24 0.69 0.06 0.00 -2.50 0.00 0.00 55.36 53.85 1x4y s GLN 87 Cb -0.00 0.45 0.00 0.00 -1.64 0.00 0.00 33.01 31.81 1x4y s GLN 87 CO 0.11 -0.19 0.56 0.00 0.50 0.00 0.00 175.29 176.26 1x4y s PHE 89 N -2.34 -0.06 0.19 0.00 -0.71 -1.25 -0.06 117.98 113.76 1x4y s PHE 89 Ca 0.50 -0.29 -0.10 0.00 -1.04 0.00 0.00 56.93 56.00 1x4y s PHE 89 Cb -0.10 0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 41.90 1x4y s PHE 89 CO 0.33 -0.73 0.34 1.21 -1.34 0.00 0.00 175.22 175.03 1x4y s ASN 90 N -2.85 -0.01 0.52 1.98 2.47 -1.19 -2.42 114.94 113.45 1x4y s ASN 90 Ca 0.06 -0.90 0.43 0.00 0.42 0.00 0.00 52.86 52.87 1x4y s ASN 90 Cb 0.02 0.48 1.63 0.00 -1.45 0.00 0.00 41.25 41.92 1x4y s ASN 90 CO -0.08 -0.96 1.62 -0.08 -3.72 0.00 0.00 177.10 173.87 1x4y h GLU 91 N 2.45 0.02 0.15 0.43 4.57 -1.91 0.18 114.58 120.47 1x4y h GLU 91 Ca -0.30 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1x4y h GLU 91 Cb 1.24 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1x4y h GLU 91 CO 0.45 0.01 -0.07 0.78 -1.18 0.00 0.00 179.01 179.00 1x4y h GLY 92 N 0.02 -0.21 0.00 1.92 0.00 -1.93 -3.50 103.07 99.38 1x4y h GLY 92 Ca 0.86 0.08 0.00 0.00 0.00 0.00 0.00 47.33 48.26 1x4y h GLY 92 CO -0.14 -0.08 0.00 0.61 0.00 0.00 0.00 176.54 176.94 1x4y n GLY 93 N 0.58 1.86 3.62 4.60 0.00 0.64 -4.92 105.19 111.58 1x4y n GLY 93 Ca -0.08 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1x4y n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4y n GLU 94 N -0.44 0.29 -2.07 1.61 1.02 -1.26 -3.18 120.64 116.61 1x4y n GLU 94 Ca 0.00 0.16 -0.15 0.00 -0.02 0.00 0.00 57.16 57.16 1x4y n GLU 94 Cb 0.00 -2.25 0.07 0.00 -0.02 0.00 0.00 31.44 29.24 1x4y n GLU 94 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1x4y n SER 95 N -2.19 1.09 -4.68 1.62 3.41 0.91 -4.86 113.62 108.92 1x4y n SER 95 Ca 0.12 -1.86 -0.29 0.00 -0.26 0.00 0.00 58.87 56.58 1x4y n SER 95 Cb 0.50 -0.39 0.16 0.00 -0.26 0.00 0.00 64.21 64.23 1x4y n SER 95 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4y s GLU 96 N -4.07 0.78 -0.16 4.33 0.41 -1.15 -4.80 118.70 114.04 1x4y s GLU 96 Ca 0.43 0.75 -0.29 0.00 -0.41 0.00 0.00 54.97 55.46 1x4y s GLU 96 Cb -0.03 -1.76 -0.01 0.00 -1.78 0.00 0.00 34.13 30.56 1x4y s GLU 96 CO 0.28 -2.55 1.10 -0.06 -0.49 0.00 0.00 175.26 173.54 1x4y s PHE 97 N -2.89 3.27 0.74 1.61 0.40 -1.26 -4.60 117.98 115.26 1x4y s PHE 97 Ca 0.65 1.38 -0.12 0.00 -0.60 0.00 0.00 56.93 58.23 1x4y s PHE 97 Cb -0.19 -3.31 0.19 0.00 0.51 0.00 0.00 43.02 40.22 1x4y s PHE 97 CO 0.58 -0.76 0.43 -1.13 0.70 0.00 0.00 175.22 175.04 1x4y n SER 98 N 5.86 -3.06 -4.51 1.36 3.41 -0.70 -5.00 113.62 110.99 1x4y n SER 98 Ca 0.11 -0.44 -0.29 0.00 -0.26 0.00 0.00 58.87 58.00 1x4y n SER 98 Cb 0.47 -0.50 0.16 0.00 -0.26 0.00 0.00 64.21 64.07 1x4y n SER 98 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4y s ASN 99 N -2.50 3.05 -0.28 4.04 4.22 -1.26 -4.81 114.94 117.40 1x4y s ASN 99 Ca 0.33 0.77 -0.06 0.00 -2.14 0.00 0.00 52.86 51.76 1x4y s ASN 99 Cb -0.06 -1.18 0.00 0.00 1.28 0.00 0.00 41.25 41.29 1x4y s ASN 99 CO 0.28 -2.82 0.06 -0.69 -2.04 0.00 0.00 177.10 171.89 1x4y s VAL 100 N -3.36 3.92 -0.16 3.54 1.01 -1.26 -4.49 120.40 119.60 1x4y s VAL 100 Ca 0.67 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1x4y s VAL 100 Cb -0.12 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1x4y s VAL 100 CO 0.53 0.17 -0.13 -0.04 0.00 0.00 0.00 175.10 175.63 1x4y s MET 101 N 1.51 3.28 -0.60 2.72 -1.94 -0.11 -4.92 119.30 119.24 1x4y s MET 101 Ca 0.04 -0.72 -0.18 0.00 -1.71 0.00 0.00 55.69 53.11 1x4y s MET 101 Cb -0.16 -2.67 0.11 0.00 2.01 0.00 0.00 34.83 34.11 1x4y s MET 101 CO 0.02 0.04 0.69 0.42 -0.01 0.00 0.00 175.02 176.17 1x4y s ILE 102 N 0.78 4.89 -0.38 2.53 1.01 -1.26 -0.91 121.20 127.86 1x4y s ILE 102 Ca -0.05 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 1x4y s ILE 102 Cb -0.15 -4.48 0.02 0.00 0.01 0.00 0.00 42.46 37.86 1x4y s ILE 102 CO 0.01 -1.10 0.24 0.00 0.00 0.00 0.00 174.94 174.09 1x4y s GLU 104 N 1.62 4.28 1.42 0.00 2.12 -1.26 -4.29 118.70 122.59 1x4y s GLU 104 Ca 0.04 1.24 -0.22 0.00 0.36 0.00 0.00 54.97 56.39 1x4y s GLU 104 Cb -0.19 -3.62 0.37 0.00 0.26 0.00 0.00 34.13 30.95 1x4y s GLU 104 CO 0.08 -0.52 0.92 0.95 -0.54 0.00 0.00 175.26 176.16 1x4y s THR 105 N 2.80 1.23 0.32 -1.70 -4.23 -1.25 -4.57 115.64 108.23 1x4y s THR 105 Ca 0.42 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1x4y s THR 105 Cb -0.16 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 1x4y s THR 105 CO 0.09 0.00 0.59 -0.54 -0.54 0.00 0.00 174.62 174.22 1x4y s LYS 106 N -5.00 3.63 -0.05 3.99 1.02 -1.22 -4.10 119.74 118.01 1x4y s LYS 106 Ca 0.68 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 56.41 1x4y s LYS 106 Cb -0.14 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 1x4y s LYS 106 CO 0.59 0.16 1.19 0.00 -0.92 0.00 0.00 175.35 176.37 1x4y s ALA 107 N -2.17 3.49 0.44 5.17 0.00 -1.26 -1.33 121.76 126.09 1x4y s ALA 107 Ca 0.45 0.63 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 1x4y s ALA 107 Cb -0.11 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.42 1x4y s ALA 107 CO 0.31 -0.74 1.05 -0.98 0.00 0.00 0.00 175.76 175.40 1x4y s ARG 108 N 2.15 3.99 -0.38 0.00 1.70 -1.26 -4.90 118.95 120.25 1x4y s ARG 108 Ca 0.56 1.47 -0.16 0.00 -0.47 0.00 0.00 55.73 57.13 1x4y s ARG 108 Cb -0.25 -2.35 0.01 0.00 -0.57 0.00 0.00 34.95 31.79 1x4y s ARG 108 CO 0.22 -0.29 0.36 -1.12 -1.08 0.00 0.00 175.30 173.40 1x4y s SER 109 N -1.72 6.16 0.25 -2.89 0.01 -1.26 -4.88 113.70 109.37 1x4y s SER 109 Ca 0.62 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 57.34 1x4y s SER 109 Cb -0.20 -2.19 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1x4y s SER 109 CO 0.25 -0.44 0.04 0.61 0.41 0.00 0.00 173.24 174.11 1x4y n GLY 110 N 5.07 3.75 0.11 3.44 0.00 -1.25 -5.06 105.19 111.25 1x4y n GLY 110 Ca -0.09 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.63 1x4y n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4y h PRO 111 N 0.00 0.26 -0.45 1.61 0.13 -2.04 -3.33 132.00 128.18 1x4y h PRO 111 Ca -0.20 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.84 1x4y h PRO 111 Cb 0.68 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.74 1x4y h PRO 111 CO 0.33 0.67 -0.44 0.77 -0.23 0.00 0.00 178.00 179.10 1x4y h SER 112 N -0.14 -1.52 -4.26 1.44 0.02 -2.01 -3.44 113.55 103.63 1x4y h SER 112 Ca 0.02 0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1x4y h SER 112 Cb 0.62 0.64 -0.22 0.00 0.14 0.00 0.00 62.40 63.58 1x4y h SER 112 CO 0.03 -0.28 0.34 -0.94 -1.14 0.00 0.00 176.83 174.84 1x4y s SER 113 N -4.65 -0.55 0.00 3.07 1.04 -1.25 -5.28 113.70 106.08 1x4y s SER 113 Ca -0.11 0.76 0.30 0.00 0.48 0.00 0.00 55.95 57.38 1x4y s SER 113 Cb 0.07 0.66 1.45 0.00 0.10 0.00 0.00 66.02 68.30 1x4y s SER 113 CO 0.48 -0.39 1.97 0.61 0.98 0.00 0.00 173.24 176.89