#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4y s SER 2 N 0.00 4.72 -0.54 1.61 0.15 -1.26 -5.07 113.70 113.30 1x4y s SER 2 Ca 0.00 -0.15 -0.16 0.00 0.70 0.00 0.00 55.95 56.34 1x4y s SER 2 Cb 0.00 -1.77 0.12 0.00 -1.71 0.00 0.00 66.02 62.67 1x4y s SER 2 CO 0.00 0.17 0.51 -0.55 1.20 0.00 0.00 173.24 174.57 1x4y s SER 3 N 0.36 6.19 0.00 5.45 0.15 -1.26 -4.86 113.70 119.73 1x4y s SER 3 Ca -0.05 -1.71 0.00 0.00 0.70 0.00 0.00 55.95 54.89 1x4y s SER 3 Cb -0.14 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1x4y s SER 3 CO 0.03 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.21 1x4y n GLY 4 N 5.25 -1.86 0.07 9.45 0.00 -1.26 -5.07 105.19 111.76 1x4y n GLY 4 Ca -0.13 0.92 -0.08 0.00 0.00 0.00 0.00 46.02 46.73 1x4y n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x4y h SER 5 N 0.00 0.00 -4.38 1.61 0.02 -2.02 -3.47 113.55 105.30 1x4y h SER 5 Ca 0.00 -0.31 -0.50 0.00 -0.84 0.00 0.00 61.79 60.14 1x4y h SER 5 Cb 0.00 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.62 1x4y h SER 5 CO 0.00 0.84 0.40 -0.94 -1.14 0.00 0.00 176.83 175.99 1x4y s SER 6 N -5.97 5.59 0.00 3.07 1.04 -1.26 -4.92 113.70 111.25 1x4y s SER 6 Ca -0.13 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.65 1x4y s SER 6 Cb 0.01 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1x4y s SER 6 CO 0.31 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1x4y n GLY 7 N -2.61 -2.31 3.77 7.32 0.00 -1.26 -4.87 105.19 105.22 1x4y n GLY 7 Ca 0.07 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 -5.65 3.32 0.00 1.61 0.04 -1.26 -4.97 135.00 128.09 1x4y s PRO 8 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1x4y s PRO 8 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1x4y s PRO 8 CO 0.00 -0.88 0.00 1.33 0.04 0.00 0.00 177.00 177.49 1x4y n VAL 9 N -1.38 0.00 -0.25 -0.36 0.24 -1.26 -4.11 118.33 111.20 1x4y n VAL 9 Ca 0.12 0.00 0.22 0.00 -2.04 0.00 0.00 64.34 62.63 1x4y n VAL 9 Cb 0.51 -0.22 0.55 0.00 -1.47 0.00 0.00 33.84 33.22 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 2.35 -3.45 2.33 0.00 -1.93 -2.91 119.26 115.65 1x4y h ALA 10 Ca 0.00 0.02 0.29 0.00 0.00 0.00 0.00 54.91 55.22 1x4y h ALA 10 Cb 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.01 1x4y h ALA 10 CO 0.00 -0.66 -1.19 0.41 0.00 0.00 0.00 179.25 177.82 1x4y n GLY 11 N -1.55 -3.23 3.77 0.00 0.00 -1.26 -4.80 105.19 98.11 1x4y n GLY 11 Ca 0.21 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.52 2.42 -0.10 1.61 0.04 -1.26 -4.72 135.00 128.47 1x4y s PRO 12 Ca 0.00 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.29 1x4y s PRO 12 Cb 0.00 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.65 1x4y s PRO 12 CO 0.00 -1.53 -0.09 -0.47 0.04 0.00 0.00 177.00 174.95 1x4y s TYR 13 N -2.72 1.48 -0.47 0.56 5.04 -0.70 -4.55 117.35 115.99 1x4y s TYR 13 Ca 0.63 -0.67 -0.29 0.00 -2.44 0.00 0.00 57.07 54.31 1x4y s TYR 13 Cb -0.18 -1.17 0.02 0.00 0.35 0.00 0.00 41.96 40.97 1x4y s TYR 13 CO 0.51 -0.42 1.33 0.42 -1.34 0.00 0.00 175.55 176.05 1x4y s ILE 14 N 1.30 3.96 -1.47 3.14 1.01 -1.26 0.34 121.20 128.22 1x4y s ILE 14 Ca -0.03 0.95 0.15 0.00 0.00 0.00 0.00 60.65 61.73 1x4y s ILE 14 Cb -0.14 -4.38 0.35 0.00 0.01 0.00 0.00 42.46 38.30 1x4y s ILE 14 CO -0.04 -0.93 1.26 0.35 0.00 0.00 0.00 174.94 175.59 1x4y n THR 15 N 6.97 0.74 -3.67 2.92 -2.24 -0.95 -4.93 114.28 113.12 1x4y n THR 15 Ca 0.14 -0.87 -0.08 0.00 -2.27 0.00 0.00 64.05 60.97 1x4y n THR 15 Cb 0.49 0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.08 -0.86 -0.15 4.78 5.36 -1.18 -5.01 117.98 119.84 1x4y s PHE 16 Ca 0.29 1.74 -0.04 0.00 -0.96 0.00 0.00 56.93 57.96 1x4y s PHE 16 Cb 0.16 0.47 0.06 0.00 -0.34 0.00 0.00 43.02 43.37 1x4y s PHE 16 CO 0.21 -0.45 0.15 0.95 -1.46 0.00 0.00 175.22 174.62 1x4y s THR 17 N 1.60 -0.21 0.07 0.12 -4.23 -1.26 -1.65 115.64 110.07 1x4y s THR 17 Ca -0.09 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.48 1x4y s THR 17 Cb -0.07 -0.49 -0.03 0.00 1.34 0.00 0.00 72.50 73.24 1x4y s THR 17 CO -0.16 -0.10 -0.07 -0.62 -0.54 0.00 0.00 174.62 173.13 1x4y s ASP 18 N 2.24 0.91 -0.46 3.99 2.15 -0.30 -4.95 116.67 120.25 1x4y s ASP 18 Ca 0.04 -0.78 -0.16 0.00 0.43 0.00 0.00 52.55 52.07 1x4y s ASP 18 Cb -0.14 0.08 0.05 0.00 -0.30 0.00 0.00 42.92 42.61 1x4y s ASP 18 CO -0.09 -0.36 0.43 0.00 -0.17 0.00 0.00 175.17 174.99 1x4y s ALA 19 N -2.57 3.49 0.42 3.66 0.00 -1.26 -0.28 121.76 125.21 1x4y s ALA 19 Ca 0.00 -1.88 0.12 0.00 0.00 0.00 0.00 51.96 50.21 1x4y s ALA 19 Cb -0.02 -3.09 0.89 0.00 0.00 0.00 0.00 23.12 20.90 1x4y s ALA 19 CO -0.03 -1.72 1.95 0.28 0.00 0.00 0.00 175.76 176.25 1x4y h VAL 20 N 5.75 1.15 -2.56 0.00 2.07 -1.68 -3.45 116.25 117.53 1x4y h VAL 20 Ca -0.28 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.57 1x4y h VAL 20 Cb 1.11 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1x4y h VAL 20 CO 0.86 0.21 0.27 0.59 0.02 0.00 0.00 177.57 179.52 1x4y n ASN 21 N -4.30 -1.50 0.28 0.57 3.02 0.07 -4.92 115.26 108.47 1x4y n ASN 21 Ca -0.01 -1.97 0.17 0.00 -0.03 0.00 0.00 54.58 52.74 1x4y n ASN 21 Cb 0.25 2.49 0.69 0.00 -0.61 0.00 0.00 39.78 42.60 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 0.00 0.00 3.52 4.11 -1.88 -2.78 114.58 117.55 1x4y h GLU 22 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1x4y h GLU 22 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1x4y h GLU 22 CO 0.29 0.00 -0.03 0.25 0.07 0.00 0.00 179.01 179.59 1x4y n THR 23 N -3.08 0.76 -4.01 -1.06 -2.24 -1.26 -2.80 114.28 100.59 1x4y n THR 23 Ca 0.01 -0.80 -0.13 0.00 -2.27 0.00 0.00 64.05 60.86 1x4y n THR 23 Cb 0.30 0.56 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 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 -0.87 0.23 -0.01 4.28 2.01 -1.15 -2.29 115.64 117.85 1x4y s THR 24 Ca 0.04 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1x4y s THR 24 Cb 0.03 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1x4y s THR 24 CO 0.00 -0.14 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.14 1x4y s ILE 25 N -0.59 0.20 -0.17 1.82 1.01 -0.29 -0.75 121.20 122.43 1x4y s ILE 25 Ca -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1x4y s ILE 25 Cb -0.04 -0.20 -0.00 0.00 0.01 0.00 0.00 42.46 42.23 1x4y s ILE 25 CO -0.00 0.07 -0.13 -0.32 0.00 0.00 0.00 174.94 174.56 1x4y s MET 26 N 0.13 3.25 -0.01 2.79 -2.45 0.61 -0.21 119.30 123.42 1x4y s MET 26 Ca -0.01 -0.72 0.03 0.00 -1.25 0.00 0.00 55.69 53.74 1x4y s MET 26 Cb -0.03 -2.70 -0.00 0.00 1.25 0.00 0.00 34.83 33.34 1x4y s MET 26 CO -0.00 -0.03 -0.09 -0.48 1.05 0.00 0.00 175.02 175.47 1x4y s LEU 27 N 0.94 1.95 -0.08 4.11 2.34 -1.02 -1.15 118.68 125.77 1x4y s LEU 27 Ca -0.02 -0.18 0.03 0.00 0.06 0.00 0.00 54.13 54.02 1x4y s LEU 27 Cb -0.15 -0.51 -0.02 0.00 -0.56 0.00 0.00 46.19 44.96 1x4y s LEU 27 CO -0.02 0.10 -0.16 -0.54 -1.06 0.00 0.00 176.35 174.68 1x4y s LYS 28 N -0.10 2.84 0.25 1.48 1.02 -0.66 -2.98 119.74 121.59 1x4y s LYS 28 Ca 0.02 -0.72 0.10 0.00 0.02 0.00 0.00 55.97 55.39 1x4y s LYS 28 Cb -0.05 -2.44 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1x4y s LYS 28 CO -0.00 0.43 -0.10 1.67 -0.92 0.00 0.00 175.35 176.44 1x4y s TRP 29 N -0.24 2.53 0.40 3.18 -2.14 -0.96 -2.24 118.94 119.47 1x4y s TRP 29 Ca 0.01 -0.27 0.07 0.00 2.66 0.00 0.00 56.10 58.58 1x4y s TRP 29 Cb -0.13 -1.14 -0.06 0.00 -3.10 0.00 0.00 33.47 29.04 1x4y s TRP 29 CO 0.03 0.63 0.12 0.00 -2.66 0.00 0.00 176.95 175.07 1x4y s MET 30 N -3.43 2.15 -0.05 3.25 0.23 0.15 -4.85 119.30 116.77 1x4y s MET 30 Ca 0.29 -1.89 0.02 0.00 -1.03 0.00 0.00 55.69 53.08 1x4y s MET 30 Cb -0.06 -1.90 0.02 0.00 -1.53 0.00 0.00 34.83 31.35 1x4y s MET 30 CO 0.17 -0.07 -0.07 -0.47 -2.03 0.00 0.00 175.02 172.54 1x4y s TYR 31 N -2.61 0.96 -0.16 3.16 6.14 -1.26 -1.73 117.35 121.84 1x4y s TYR 31 Ca 0.39 -0.30 -0.15 0.00 0.64 0.00 0.00 57.07 57.65 1x4y s TYR 31 Cb 0.05 -0.77 -0.04 0.00 0.42 0.00 0.00 41.96 41.61 1x4y s TYR 31 CO 0.21 -0.20 0.37 0.42 0.64 0.00 0.00 175.55 176.99 1x4y s ILE 32 N 0.73 5.25 0.19 3.14 1.09 -1.26 -4.98 121.20 125.36 1x4y s ILE 32 Ca -0.12 0.69 -0.05 0.00 -1.10 0.00 0.00 60.65 60.08 1x4y s ILE 32 Cb -0.14 -3.71 -0.02 0.00 -1.06 0.00 0.00 42.46 37.53 1x4y s ILE 32 CO 0.01 0.33 1.54 1.55 -0.10 0.00 0.00 174.94 178.27 1x4y h PRO 33 N 6.92 0.70 0.00 2.79 0.13 -2.00 -3.36 132.00 137.18 1x4y h PRO 33 Ca -0.39 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1x4y h PRO 33 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1x4y h PRO 33 CO 0.74 0.98 0.00 0.00 -0.23 0.00 0.00 178.00 179.49 1x4y n ALA 34 N -2.52 0.00 -1.61 -0.56 0.00 -1.26 -0.51 120.51 114.04 1x4y n ALA 34 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1x4y n ALA 34 Cb 0.54 0.26 -0.05 0.00 0.00 0.00 0.00 19.45 20.20 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 -1.76 7.13 -0.09 0.00 7.64 -1.26 -4.25 113.62 121.04 1x4y n SER 35 Ca 0.00 -3.05 -0.12 0.00 1.01 0.00 0.00 58.87 56.71 1x4y n SER 35 Cb 0.00 -1.33 -0.09 0.00 -1.01 0.00 0.00 64.21 61.79 1x4y n SER 35 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x4y n ASN 36 N 1.60 2.53 -1.90 6.43 5.15 0.33 -4.48 115.26 124.92 1x4y n ASN 36 Ca 0.56 -0.09 -0.12 0.00 -0.60 0.00 0.00 54.58 54.33 1x4y n ASN 36 Cb 0.45 -0.22 -0.03 0.00 -0.53 0.00 0.00 39.78 39.45 1x4y n ASN 36 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1x4y n ASN 37 N -3.00 -3.48 -2.45 1.20 5.15 -1.26 -0.65 115.26 110.77 1x4y n ASN 37 Ca -0.32 0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 53.80 1x4y n ASN 37 Cb 0.85 -3.12 -0.01 0.00 -0.53 0.00 0.00 39.78 36.97 1x4y n ASN 37 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1x4y n ASN 38 N -1.08 -3.76 -4.71 1.20 3.02 -1.26 -4.91 115.26 103.77 1x4y n ASN 38 Ca -0.13 0.21 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1x4y n ASN 38 Cb 0.50 -3.20 -0.04 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.58 5.01 0.23 3.41 -1.32 0.17 -5.03 115.64 115.53 1x4y s THR 39 Ca 0.00 1.50 -0.30 0.00 -1.21 0.00 0.00 61.69 61.69 1x4y s THR 39 Cb -0.00 -4.07 -0.09 0.00 -1.51 0.00 0.00 72.50 66.83 1x4y s THR 39 CO 0.00 0.21 1.28 -2.16 -2.21 0.00 0.00 174.62 171.75 1x4y s PRO 40 N 1.02 4.41 -0.09 7.08 0.04 -1.26 -4.97 135.00 141.22 1x4y s PRO 40 Ca 0.38 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 1x4y s PRO 40 Cb -0.18 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1x4y s PRO 40 CO 0.18 -0.19 0.12 0.42 0.04 0.00 0.00 177.00 177.57 1x4y s ILE 41 N -0.25 5.26 0.14 0.56 1.01 -1.26 -4.62 121.20 122.04 1x4y s ILE 41 Ca 0.54 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 1x4y s ILE 41 Cb -0.36 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 1x4y s ILE 41 CO 0.41 0.57 1.48 0.45 0.00 0.00 0.00 174.94 177.84 1x4y h HIS 42 N 4.81 1.08 0.00 3.97 3.86 -1.14 -3.44 115.15 124.29 1x4y h HIS 42 Ca -0.53 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 58.36 1x4y h HIS 42 Cb 1.22 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1x4y h HIS 42 CO 0.72 1.13 0.00 0.41 0.86 0.00 0.00 177.93 181.05 1x4y n GLY 43 N 0.10 1.02 2.92 2.45 0.00 -1.04 -4.13 105.19 106.52 1x4y n GLY 43 Ca -0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.67 -0.33 0.18 1.61 0.08 -0.52 -3.62 117.98 114.70 1x4y s PHE 44 Ca 0.00 0.77 -0.04 0.00 0.12 0.00 0.00 56.93 57.77 1x4y s PHE 44 Cb 0.00 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.25 1x4y s PHE 44 CO 0.00 -0.36 0.41 0.71 -0.10 0.00 0.00 175.22 175.88 1x4y s TYR 45 N 2.37 3.47 -0.04 0.36 2.02 0.22 -0.21 117.35 125.55 1x4y s TYR 45 Ca 0.03 0.55 -0.00 0.00 -0.37 0.00 0.00 57.07 57.27 1x4y s TYR 45 Cb -0.13 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1x4y s TYR 45 CO -0.08 0.38 0.02 0.42 -1.57 0.00 0.00 175.55 174.72 1x4y s ILE 46 N -1.76 0.13 -0.06 2.71 1.01 -0.73 -0.23 121.20 122.27 1x4y s ILE 46 Ca 0.41 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1x4y s ILE 46 Cb -0.12 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 1x4y s ILE 46 CO 0.26 0.17 0.02 -0.31 0.00 0.00 0.00 174.94 175.07 1x4y s TYR 47 N 1.46 3.17 0.06 3.97 1.51 -0.07 -0.95 117.35 126.50 1x4y s TYR 47 Ca -0.04 0.19 -0.20 0.00 -1.01 0.00 0.00 57.07 56.01 1x4y s TYR 47 Cb -0.13 -1.76 0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1x4y s TYR 47 CO -0.03 0.49 0.46 1.52 -1.11 0.00 0.00 175.55 176.88 1x4y s TYR 48 N -0.97 -0.33 -0.29 2.71 1.13 -1.25 -1.78 117.35 116.56 1x4y s TYR 48 Ca 0.16 0.28 -0.25 0.00 -1.41 0.00 0.00 57.07 55.85 1x4y s TYR 48 Cb -0.11 0.29 0.17 0.00 -1.10 0.00 0.00 41.96 41.20 1x4y s TYR 48 CO 0.05 -0.63 1.28 -0.98 -2.51 0.00 0.00 175.55 172.76 1x4y s ARG 49 N -2.71 0.23 0.44 -3.49 1.04 -1.26 -2.08 118.95 111.13 1x4y s ARG 49 Ca -0.04 0.28 -0.23 0.00 -1.04 0.00 0.00 55.73 54.69 1x4y s ARG 49 Cb -0.00 0.11 -0.08 0.00 -2.04 0.00 0.00 34.95 32.94 1x4y s ARG 49 CO -0.04 -0.03 1.17 -1.25 -0.04 0.00 0.00 175.30 175.11 1x4y s PRO 50 N 0.15 3.83 0.64 3.89 0.04 -1.26 -4.15 135.00 138.15 1x4y s PRO 50 Ca 0.05 1.80 0.35 0.00 0.04 0.00 0.00 61.00 63.25 1x4y s PRO 50 Cb -0.05 -2.48 1.96 0.00 0.04 0.00 0.00 34.50 33.98 1x4y s PRO 50 CO -0.12 -0.50 2.16 0.00 0.04 0.00 0.00 177.00 178.58 1x4y h THR 51 N 1.99 0.14 0.00 1.26 1.03 -1.93 0.27 112.91 115.67 1x4y h THR 51 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 1x4y h THR 51 Cb 1.24 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.18 1x4y h THR 51 CO 0.61 0.00 0.00 0.44 -0.01 0.00 0.00 175.52 176.56 1x4y h ASP 52 N 0.00 0.00 -2.12 0.00 3.32 -1.93 -3.45 116.42 112.24 1x4y h ASP 52 Ca 0.02 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.79 1x4y h ASP 52 Cb 0.34 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.05 1x4y h ASP 52 CO -0.00 0.00 -0.46 -1.20 -1.72 0.00 0.00 179.24 175.85 1x4y n SER 53 N -2.54 -2.99 -0.13 6.45 7.64 0.94 -4.98 113.62 118.01 1x4y n SER 53 Ca 0.02 -0.38 -0.20 0.00 1.01 0.00 0.00 58.87 59.32 1x4y n SER 53 Cb 0.31 -0.83 -0.12 0.00 -1.01 0.00 0.00 64.21 62.56 1x4y n SER 53 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x4y n ASP 54 N -1.78 1.98 -2.50 6.43 2.03 -1.26 -5.08 116.55 116.37 1x4y n ASP 54 Ca 0.05 -0.05 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1x4y n ASP 54 Cb 0.44 -0.48 0.01 0.00 -0.72 0.00 0.00 41.12 40.37 1x4y n ASP 54 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1x4y n ASN 55 N -3.44 -1.06 -0.35 1.67 0.23 -1.26 -5.01 115.26 106.05 1x4y n ASN 55 Ca -0.48 -1.52 0.25 0.00 -0.53 0.00 0.00 54.58 52.30 1x4y n ASN 55 Cb 0.97 1.71 0.51 0.00 -2.08 0.00 0.00 39.78 40.90 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 1.25 0.46 -1.11 0.53 3.32 -1.98 0.14 116.42 119.03 1x4y h ASP 56 Ca -0.17 0.12 0.32 0.00 0.02 0.00 0.00 57.03 57.32 1x4y h ASP 56 Cb 0.76 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1x4y h ASP 56 CO 0.23 0.01 1.19 0.28 -1.72 0.00 0.00 179.24 179.22 1x4y h SER 57 N 0.36 0.00 0.10 6.45 0.02 -2.03 1.30 113.55 119.74 1x4y h SER 57 Ca 0.66 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.43 1x4y h SER 57 Cb 1.68 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.24 1x4y h SER 57 CO -0.39 0.00 -0.76 0.44 -1.14 0.00 0.00 176.83 174.98 1x4y h ASP 58 N 0.00 0.50 -0.73 3.07 5.19 -1.12 -3.46 116.42 119.88 1x4y h ASP 58 Ca 0.53 -0.89 -0.58 0.00 -0.62 0.00 0.00 57.03 55.48 1x4y h ASP 58 Cb 2.89 -0.16 0.04 0.00 0.18 0.00 0.00 39.33 42.28 1x4y h ASP 58 CO -0.01 1.34 0.06 -1.22 -3.12 0.00 0.00 179.24 176.30 1x4y n TYR 59 N -4.14 0.49 -3.04 4.55 4.01 0.44 -4.89 117.16 114.58 1x4y n TYR 59 Ca -0.13 0.77 -0.10 0.00 -0.16 0.00 0.00 57.90 58.29 1x4y n TYR 59 Cb 0.78 -1.52 0.03 0.00 -0.31 0.00 0.00 39.34 38.32 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 1.15 0.82 -3.44 -0.72 5.02 -0.88 -4.88 118.16 115.23 1x4y n LYS 60 Ca 0.15 -1.53 -0.15 0.00 -2.02 0.00 0.00 58.31 54.76 1x4y n LYS 60 Cb 0.05 -0.11 -0.11 0.00 -0.02 0.00 0.00 35.03 34.85 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 -3.27 0.25 -0.30 1.97 2.20 -1.25 -3.92 119.74 115.42 1x4y s LYS 61 Ca 0.29 0.30 -0.09 0.00 -0.36 0.00 0.00 55.97 56.11 1x4y s LYS 61 Cb -0.02 -0.94 -0.01 0.00 -1.51 0.00 0.00 37.83 35.34 1x4y s LYS 61 CO 0.19 -0.67 0.15 -0.51 -0.36 0.00 0.00 175.35 174.14 1x4y s ASP 62 N 2.40 5.55 0.23 1.43 1.11 -0.13 -4.86 116.67 122.41 1x4y s ASP 62 Ca 0.09 -0.44 -0.30 0.00 0.18 0.00 0.00 52.55 52.09 1x4y s ASP 62 Cb -0.16 -2.00 -0.09 0.00 1.07 0.00 0.00 42.92 41.74 1x4y s ASP 62 CO -0.14 -0.16 1.03 -0.32 1.18 0.00 0.00 175.17 176.76 1x4y s MET 63 N 1.63 4.71 0.15 8.23 1.75 -1.26 -1.78 119.30 132.73 1x4y s MET 63 Ca 0.05 1.65 0.03 0.00 -1.25 0.00 0.00 55.69 56.17 1x4y s MET 63 Cb -0.17 -3.25 -0.04 0.00 2.84 0.00 0.00 34.83 34.21 1x4y s MET 63 CO 0.06 0.30 -0.05 0.08 -0.65 0.00 0.00 175.02 174.76 1x4y s VAL 64 N -0.92 0.88 0.82 10.11 1.01 0.71 -4.95 120.40 128.07 1x4y s VAL 64 Ca 0.44 -2.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.29 1x4y s VAL 64 Cb -0.29 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.25 1x4y s VAL 64 CO 0.36 -0.67 1.10 -0.62 0.00 0.00 0.00 175.10 175.27 1x4y n GLU 65 N -0.19 0.09 0.11 2.72 -0.58 -1.26 -1.45 120.64 120.09 1x4y n GLU 65 Ca -0.09 0.10 0.13 0.00 -0.42 0.00 0.00 57.16 56.88 1x4y n GLU 65 Cb 0.62 -2.35 0.35 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.02 0.00 0.00 0.62 0.00 -1.85 -3.21 103.07 97.61 1x4y h GLY 66 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1x4y h GLY 66 CO 0.44 0.00 -1.22 1.34 0.00 0.00 0.00 176.54 177.10 1x4y n ASP 67 N -2.34 0.76 -4.72 0.19 2.03 -1.26 -4.89 116.55 106.31 1x4y n ASP 67 Ca 0.05 -0.72 -0.39 0.00 0.52 0.00 0.00 54.79 54.25 1x4y n ASP 67 Cb 0.44 1.25 -0.05 0.00 -0.72 0.00 0.00 41.12 42.05 1x4y n ASP 67 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1x4y s ARG 68 N -3.06 4.42 -0.04 -0.67 6.06 -1.21 -4.94 118.95 119.51 1x4y s ARG 68 Ca 0.04 0.82 0.11 0.00 -2.50 0.00 0.00 55.73 54.19 1x4y s ARG 68 Cb 0.15 -3.44 0.32 0.00 0.06 0.00 0.00 34.95 32.04 1x4y s ARG 68 CO 0.84 0.10 1.26 0.66 -2.50 0.00 0.00 175.30 175.66 1x4y n TYR 69 N 3.69 0.50 -3.87 5.12 4.02 -1.26 -4.77 117.16 120.60 1x4y n TYR 69 Ca -0.02 -0.58 -0.12 0.00 -0.01 0.00 0.00 57.90 57.17 1x4y n TYR 69 Cb 0.51 -0.09 -0.12 0.00 -0.02 0.00 0.00 39.34 39.62 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 -1.39 -0.02 0.00 -0.72 1.48 -1.26 -2.26 118.94 114.78 1x4y s TRP 70 Ca 0.25 0.06 -0.12 0.00 -1.06 0.00 0.00 56.10 55.24 1x4y s TRP 70 Cb 0.15 -0.01 0.01 0.00 -1.16 0.00 0.00 33.47 32.47 1x4y s TRP 70 CO 0.13 -0.10 0.24 -1.58 -4.06 0.00 0.00 176.95 171.58 1x4y s HIS 71 N -0.38 -0.07 -0.29 1.66 2.46 -1.16 -5.03 115.29 112.48 1x4y s HIS 71 Ca -0.04 0.05 0.03 0.00 0.47 0.00 0.00 55.06 55.56 1x4y s HIS 71 Cb -0.03 0.03 0.08 0.00 -0.13 0.00 0.00 32.58 32.53 1x4y s HIS 71 CO 0.00 -0.37 -0.03 -1.54 -2.47 0.00 0.00 174.74 170.33 1x4y s SER 72 N -1.50 4.50 0.48 9.88 1.04 -1.26 -2.43 113.70 124.40 1x4y s SER 72 Ca -0.12 -1.69 -0.21 0.00 0.48 0.00 0.00 55.95 54.41 1x4y s SER 72 Cb -0.05 -1.51 -0.08 0.00 0.10 0.00 0.00 66.02 64.48 1x4y s SER 72 CO 0.02 -0.28 1.09 -0.63 0.98 0.00 0.00 173.24 174.42 1x4y s ILE 73 N 1.07 3.46 0.30 -1.02 1.01 0.71 -4.81 121.20 121.93 1x4y s ILE 73 Ca 0.00 0.99 0.04 0.00 0.00 0.00 0.00 60.65 61.68 1x4y s ILE 73 Cb -0.19 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1x4y s ILE 73 CO -0.07 -0.12 0.18 -0.44 0.00 0.00 0.00 174.94 174.49 1x4y s SER 74 N -1.71 1.46 -0.91 3.58 0.01 -1.26 -1.14 113.70 113.73 1x4y s SER 74 Ca 0.66 -1.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.29 1x4y s SER 74 Cb -0.22 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1x4y s SER 74 CO 0.26 -0.93 0.78 1.41 0.41 0.00 0.00 173.24 175.18 1x4y n HIS 75 N -0.57 -1.83 -3.76 2.43 8.25 -0.97 -4.97 115.22 113.80 1x4y n HIS 75 Ca 0.02 0.70 -0.16 0.00 -0.26 0.00 0.00 57.72 58.03 1x4y n HIS 75 Cb 0.64 -4.02 -0.00 0.00 1.12 0.00 0.00 29.99 27.73 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 -3.49 0.00 -4.88 2.41 4.77 -1.18 -5.09 117.00 109.54 1x4y n LEU 76 Ca -0.09 -1.70 -0.36 0.00 -0.03 0.00 0.00 56.01 53.83 1x4y n LEU 76 Cb 0.58 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1x4y n LEU 76 CO 0.45 -0.44 -0.12 -1.10 -1.33 0.00 0.00 177.39 174.85 1x4y s GLN 77 N -3.32 3.52 0.56 3.23 1.11 -1.26 -4.68 119.66 118.81 1x4y s GLN 77 Ca 0.17 -0.09 -0.19 0.00 0.01 0.00 0.00 55.36 55.26 1x4y s GLN 77 Cb -0.01 -3.16 -0.05 0.00 -1.01 0.00 0.00 33.01 28.78 1x4y s GLN 77 CO 0.11 0.73 1.13 -1.25 0.01 0.00 0.00 175.29 176.02 1x4y s PRO 78 N -1.31 3.30 -1.17 2.91 0.04 -1.12 -3.48 135.00 134.16 1x4y s PRO 78 Ca 0.20 1.59 -0.09 0.00 0.04 0.00 0.00 61.00 62.74 1x4y s PRO 78 Cb -0.13 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1x4y s PRO 78 CO 0.09 -0.89 0.23 -0.85 0.04 0.00 0.00 177.00 175.62 1x4y n GLU 79 N -1.42 -0.87 -3.85 4.56 0.28 0.90 -4.85 120.64 115.38 1x4y n GLU 79 Ca 0.11 0.08 -0.35 0.00 -0.16 0.00 0.00 57.16 56.84 1x4y n GLU 79 Cb 0.51 -2.85 -0.13 0.00 1.43 0.00 0.00 31.44 30.41 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 -3.14 3.06 -0.49 3.84 2.01 -1.23 -4.89 115.64 114.80 1x4y s THR 80 Ca 0.32 -1.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.20 1x4y s THR 80 Cb -0.19 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.35 1x4y s THR 80 CO 0.69 -0.46 1.35 -0.55 -0.69 0.00 0.00 174.62 174.95 1x4y s SER 81 N 1.50 6.32 0.10 3.53 0.15 -1.26 -3.87 113.70 120.16 1x4y s SER 81 Ca 0.04 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.22 1x4y s SER 81 Cb -0.21 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 1x4y s SER 81 CO -0.03 -1.50 -0.08 -0.72 1.20 0.00 0.00 173.24 172.10 1x4y s TYR 82 N 5.45 0.95 0.56 3.44 -0.85 -1.26 -4.43 117.35 121.21 1x4y s TYR 82 Ca 0.54 -0.79 -0.17 0.00 -0.52 0.00 0.00 57.07 56.14 1x4y s TYR 82 Cb -0.11 -0.53 -0.05 0.00 0.38 0.00 0.00 41.96 41.65 1x4y s TYR 82 CO 0.29 -0.08 1.04 -0.51 -1.52 0.00 0.00 175.55 174.77 1x4y s ASP 83 N -2.75 6.04 0.02 -0.18 1.01 -1.26 -3.49 116.67 116.06 1x4y s ASP 83 Ca 0.08 1.78 -0.02 0.00 0.71 0.00 0.00 52.55 55.10 1x4y s ASP 83 Cb 0.01 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1x4y s ASP 83 CO -0.02 -0.99 0.02 -0.63 0.21 0.00 0.00 175.17 173.76 1x4y s ILE 84 N -2.41 0.11 0.36 0.77 1.01 -0.20 -4.01 121.20 116.83 1x4y s ILE 84 Ca 0.63 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 1x4y s ILE 84 Cb -0.15 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 41.92 1x4y s ILE 84 CO 0.33 -0.51 0.68 -1.59 0.00 0.00 0.00 174.94 173.85 1x4y s LYS 85 N -1.70 2.08 0.21 2.79 -2.85 -0.74 0.04 119.74 119.57 1x4y s LYS 85 Ca -0.13 -1.48 -0.23 0.00 -1.00 0.00 0.00 55.97 53.13 1x4y s LYS 85 Cb -0.08 0.57 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1x4y s LYS 85 CO -0.01 -0.94 0.84 0.00 0.10 0.00 0.00 175.35 175.34 1x4y s MET 86 N -2.74 1.48 -0.19 1.78 0.23 -1.26 -0.89 119.30 117.72 1x4y s MET 86 Ca 0.20 -0.82 -0.28 0.00 -1.03 0.00 0.00 55.69 53.75 1x4y s MET 86 Cb -0.04 0.51 0.11 0.00 -1.53 0.00 0.00 34.83 33.88 1x4y s MET 86 CO 0.13 -0.68 0.92 -1.14 -2.03 0.00 0.00 175.02 172.22 1x4y s GLN 87 N -3.59 0.68 0.37 3.16 -0.44 0.68 -0.46 119.66 120.06 1x4y s GLN 87 Ca 0.12 0.39 0.01 0.00 -2.50 0.00 0.00 55.36 53.38 1x4y s GLN 87 Cb -0.04 0.32 -0.02 0.00 -1.64 0.00 0.00 33.01 31.64 1x4y s GLN 87 CO 0.05 -0.17 0.57 0.00 0.50 0.00 0.00 175.29 176.24 1x4y s PHE 89 N -2.36 0.04 0.19 0.00 -0.71 -1.24 -0.34 117.98 113.56 1x4y s PHE 89 Ca 0.43 -0.18 -0.17 0.00 -1.04 0.00 0.00 56.93 55.97 1x4y s PHE 89 Cb -0.10 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.70 1x4y s PHE 89 CO 0.36 -0.37 0.50 0.54 -1.34 0.00 0.00 175.22 174.92 1x4y s ASN 90 N -1.75 -0.23 0.42 1.98 4.22 -1.24 -0.52 114.94 117.83 1x4y s ASN 90 Ca -0.10 -0.52 0.34 0.00 -2.14 0.00 0.00 52.86 50.45 1x4y s ASN 90 Cb -0.04 0.57 1.36 0.00 1.28 0.00 0.00 41.25 44.42 1x4y s ASN 90 CO -0.01 -1.04 1.33 1.21 -2.04 0.00 0.00 177.10 176.55 1x4y n GLU 91 N -0.33 -0.02 -0.11 3.55 4.07 -1.26 0.21 120.64 126.75 1x4y n GLU 91 Ca -0.10 1.01 -0.12 0.00 -0.06 0.00 0.00 57.16 57.89 1x4y n GLU 91 Cb 0.62 -2.12 -0.03 0.00 -0.06 0.00 0.00 31.44 29.85 1x4y n GLU 91 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1x4y h GLY 92 N 0.00 0.80 0.00 8.31 0.00 -1.92 -3.49 103.07 106.77 1x4y h GLY 92 Ca 0.77 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1x4y h GLY 92 CO -0.23 0.68 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1x4y n GLY 93 N 0.03 4.11 3.66 4.60 0.00 0.57 -4.78 105.19 113.40 1x4y n GLY 93 Ca -0.03 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -1.64 1.70 -1.47 1.61 1.02 -1.26 -3.60 120.64 117.00 1x4y n GLU 94 Ca 0.00 0.61 -0.15 0.00 -0.02 0.00 0.00 57.16 57.59 1x4y n GLU 94 Cb 0.00 -2.24 0.09 0.00 -0.02 0.00 0.00 31.44 29.27 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 0.35 0.46 -4.60 1.62 3.41 0.54 -4.93 113.62 110.46 1x4y n SER 95 Ca 0.08 -1.49 -0.30 0.00 -0.26 0.00 0.00 58.87 56.90 1x4y n SER 95 Cb 0.39 -0.48 0.20 0.00 -0.26 0.00 0.00 64.21 64.06 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 -4.31 0.22 -0.41 4.33 0.41 -1.10 -4.80 118.70 113.05 1x4y s GLU 96 Ca 0.41 1.15 -0.26 0.00 -0.41 0.00 0.00 54.97 55.86 1x4y s GLU 96 Cb -0.02 -1.66 0.02 0.00 -1.78 0.00 0.00 34.13 30.69 1x4y s GLU 96 CO 0.28 -3.05 0.94 -0.06 -0.49 0.00 0.00 175.26 172.89 1x4y s PHE 97 N -2.61 3.00 0.96 1.61 0.40 -1.26 -4.61 117.98 115.48 1x4y s PHE 97 Ca 0.67 0.63 -0.13 0.00 -0.60 0.00 0.00 56.93 57.50 1x4y s PHE 97 Cb -0.23 -3.82 0.01 0.00 0.51 0.00 0.00 43.02 39.49 1x4y s PHE 97 CO 0.61 -0.96 0.25 0.45 0.70 0.00 0.00 175.22 176.27 1x4y n SER 98 N 7.00 -2.57 -3.42 1.36 2.88 0.39 -4.94 113.62 114.30 1x4y n SER 98 Ca 0.07 0.30 -0.25 0.00 -1.33 0.00 0.00 58.87 57.66 1x4y n SER 98 Cb 0.48 -1.15 0.24 0.00 -0.75 0.00 0.00 64.21 63.04 1x4y n SER 98 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1x4y n ASN 99 N -0.74 -3.65 -4.29 -3.46 6.94 -1.26 -4.51 115.26 104.29 1x4y n ASN 99 Ca 0.05 -0.66 -0.36 0.00 -0.02 0.00 0.00 54.58 53.60 1x4y n ASN 99 Cb 0.54 -0.93 -0.14 0.00 -2.36 0.00 0.00 39.78 36.90 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 -2.11 3.44 -0.20 3.53 1.01 -1.26 -4.40 120.40 120.42 1x4y s VAL 100 Ca 0.55 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1x4y s VAL 100 Cb -0.10 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1x4y s VAL 100 CO 0.48 0.25 0.00 -0.04 0.00 0.00 0.00 175.10 175.79 1x4y s MET 101 N 1.45 3.64 -0.62 2.72 -1.94 0.11 -4.85 119.30 119.80 1x4y s MET 101 Ca 0.03 -0.51 -0.21 0.00 -1.71 0.00 0.00 55.69 53.29 1x4y s MET 101 Cb -0.16 -3.07 0.09 0.00 2.01 0.00 0.00 34.83 33.70 1x4y s MET 101 CO -0.02 0.04 0.82 0.42 -0.01 0.00 0.00 175.02 176.28 1x4y s ILE 102 N 0.92 4.60 -0.33 2.53 1.01 -1.26 -1.03 121.20 127.63 1x4y s ILE 102 Ca 0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 1x4y s ILE 102 Cb -0.14 -4.57 0.03 0.00 0.01 0.00 0.00 42.46 37.78 1x4y s ILE 102 CO 0.02 -1.27 0.10 0.00 0.00 0.00 0.00 174.94 173.80 1x4y s GLU 104 N 1.44 4.33 1.22 0.00 2.12 -1.26 -4.32 118.70 122.22 1x4y s GLU 104 Ca -0.00 1.34 -0.16 0.00 0.36 0.00 0.00 54.97 56.51 1x4y s GLU 104 Cb -0.19 -3.60 0.30 0.00 0.26 0.00 0.00 34.13 30.90 1x4y s GLU 104 CO 0.03 -0.48 1.02 0.95 -0.54 0.00 0.00 175.26 176.24 1x4y s THR 105 N 2.64 1.75 0.57 -1.70 -4.23 -1.25 -4.61 115.64 108.80 1x4y s THR 105 Ca 0.45 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.86 1x4y s THR 105 Cb -0.16 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.44 1x4y s THR 105 CO 0.11 0.00 0.96 -0.54 -0.54 0.00 0.00 174.62 174.61 1x4y s LYS 106 N -4.81 3.65 0.08 3.99 -0.14 -1.06 -3.89 119.74 117.55 1x4y s LYS 106 Ca 0.68 0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 55.64 1x4y s LYS 106 Cb -0.19 -2.16 -0.05 0.00 -1.68 0.00 0.00 37.83 33.74 1x4y s LYS 106 CO 0.61 -0.43 1.06 0.00 -0.76 0.00 0.00 175.35 175.83 1x4y s ALA 107 N -2.97 3.28 -0.13 5.17 0.00 -1.26 -0.07 121.76 125.78 1x4y s ALA 107 Ca 0.54 0.69 -0.05 0.00 0.00 0.00 0.00 51.96 53.13 1x4y s ALA 107 Cb -0.11 -3.36 -0.21 0.00 0.00 0.00 0.00 23.12 19.45 1x4y s ALA 107 CO 0.48 -0.23 3.05 2.89 0.00 0.00 0.00 175.76 181.95 1x4y n ARG 108 N 3.32 1.80 -3.75 0.00 1.85 -1.26 -4.78 116.66 113.84 1x4y n ARG 108 Ca 0.05 -0.94 -0.15 0.00 -1.00 0.00 0.00 57.85 55.82 1x4y n ARG 108 Cb 0.48 -1.99 -0.05 0.00 -1.05 0.00 0.00 32.46 29.85 1x4y n ARG 108 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1x4y n SER 109 N 2.71 -0.75 -1.29 2.89 2.88 -1.26 -5.13 113.62 113.67 1x4y n SER 109 Ca 0.39 -2.73 -0.02 0.00 -1.33 0.00 0.00 58.87 55.17 1x4y n SER 109 Cb 0.71 1.59 -0.01 0.00 -0.75 0.00 0.00 64.21 65.75 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 -0.51 3.27 0.16 0.46 0.00 -1.26 -5.05 105.19 102.27 1x4y n GLY 110 Ca 0.05 -1.50 0.01 0.00 0.00 0.00 0.00 46.02 44.57 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 0.01 -5.63 1.61 0.13 -2.03 -3.45 132.00 122.64 1x4y h PRO 111 Ca -0.04 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.41 1x4y h PRO 111 Cb 0.17 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.38 1x4y h PRO 111 CO 0.05 0.50 -0.27 0.43 -0.23 0.00 0.00 178.00 178.48 1x4y n SER 112 N -3.96 -0.69 -3.78 1.44 7.64 -1.26 -4.95 113.62 108.07 1x4y n SER 112 Ca -0.02 1.07 -0.07 0.00 1.01 0.00 0.00 58.87 60.86 1x4y n SER 112 Cb 0.50 -0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 1x4y n SER 112 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4y s SER 113 N -0.55 -0.22 0.00 6.43 0.01 -1.26 -5.20 113.70 112.91 1x4y s SER 113 Ca 0.71 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1x4y s SER 113 Cb -1.01 0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1x4y s SER 113 CO 0.53 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 173.42