#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 4.18 -0.49 1.61 0.15 -1.26 -4.65 113.70 113.23 1x4y s SER 2 Ca 0.00 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.23 1x4y s SER 2 Cb 0.00 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 1x4y s SER 2 CO 0.00 0.22 0.43 -0.24 1.20 0.00 0.00 173.24 174.85 1x4y n SER 3 N 1.09 -3.50 0.00 5.45 2.88 -1.26 -5.02 113.62 113.26 1x4y n SER 3 Ca -0.15 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1x4y n SER 3 Cb 0.52 -2.17 0.00 0.00 -0.75 0.00 0.00 64.21 61.82 1x4y n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4y n GLY 4 N -1.06 0.95 3.75 0.46 0.00 -1.26 -4.87 105.19 103.16 1x4y n GLY 4 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.20 7.29 -0.16 1.61 1.04 -1.26 -5.04 113.70 115.98 1x4y s SER 5 Ca 0.00 2.17 -0.05 0.00 0.48 0.00 0.00 55.95 58.56 1x4y s SER 5 Cb 0.00 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.58 1x4y s SER 5 CO 0.00 -0.16 0.29 -0.94 0.98 0.00 0.00 173.24 173.41 1x4y s SER 6 N -0.55 0.37 0.00 7.02 1.04 -1.26 -5.03 113.70 115.29 1x4y s SER 6 Ca 0.46 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1x4y s SER 6 Cb -0.31 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1x4y s SER 6 CO 0.38 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1x4y n GLY 7 N 5.35 4.90 3.75 7.32 0.00 -1.26 -4.84 105.19 120.42 1x4y n GLY 7 Ca -0.06 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 2.09 4.44 0.00 1.61 0.04 -1.26 -4.93 135.00 136.98 1x4y s PRO 8 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x4y s PRO 8 Cb 0.00 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1x4y s PRO 8 CO 0.00 -0.12 0.00 1.33 0.04 0.00 0.00 177.00 178.25 1x4y n VAL 9 N 1.64 0.00 -0.47 -0.36 0.24 -1.26 -3.12 118.33 115.00 1x4y n VAL 9 Ca 0.02 0.00 0.38 0.00 -2.04 0.00 0.00 64.34 62.70 1x4y n VAL 9 Cb 0.43 -0.65 0.61 0.00 -1.47 0.00 0.00 33.84 32.76 1x4y n VAL 9 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x4y n ALA 10 N -2.47 1.30 -1.51 2.33 0.00 -1.26 -1.88 120.51 117.02 1x4y n ALA 10 Ca 0.00 0.67 0.04 0.00 0.00 0.00 0.00 53.44 54.15 1x4y n ALA 10 Cb 0.41 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1x4y n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4y n GLY 11 N -1.55 -3.55 3.74 0.00 0.00 -1.26 -4.82 105.19 97.75 1x4y n GLY 11 Ca 0.35 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -5.09 1.75 -0.10 1.61 0.04 -1.26 -4.88 135.00 127.07 1x4y s PRO 12 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1x4y s PRO 12 Cb 0.00 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1x4y s PRO 12 CO 0.00 -1.95 -0.10 -0.47 0.04 0.00 0.00 177.00 174.52 1x4y s TYR 13 N -2.92 1.56 -0.11 0.56 5.04 -0.98 -4.59 117.35 115.91 1x4y s TYR 13 Ca 0.62 -0.74 -0.30 0.00 -2.44 0.00 0.00 57.07 54.22 1x4y s TYR 13 Cb -0.18 -1.23 -0.03 0.00 0.35 0.00 0.00 41.96 40.88 1x4y s TYR 13 CO 0.56 -0.47 1.27 0.42 -1.34 0.00 0.00 175.55 176.00 1x4y s ILE 14 N 1.39 4.19 0.00 3.14 1.01 -1.26 -0.35 121.20 129.32 1x4y s ILE 14 Ca -0.01 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1x4y s ILE 14 Cb -0.13 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1x4y s ILE 14 CO -0.05 -0.08 0.81 0.35 0.00 0.00 0.00 174.94 175.98 1x4y n THR 15 N 5.07 0.66 -3.64 2.92 -2.24 -0.75 -4.97 114.28 111.33 1x4y n THR 15 Ca 0.13 -0.72 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 1x4y n THR 15 Cb 0.45 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.66 -0.78 -0.15 4.78 2.19 -1.11 -4.97 117.98 117.28 1x4y s PHE 16 Ca 0.00 1.45 -0.04 0.00 0.33 0.00 0.00 56.93 58.67 1x4y s PHE 16 Cb 0.00 0.27 0.05 0.00 -1.31 0.00 0.00 43.02 42.03 1x4y s PHE 16 CO 0.00 -0.49 0.07 0.95 1.83 0.00 0.00 175.22 177.58 1x4y s THR 17 N 2.60 0.03 0.01 0.12 -4.23 -1.26 -0.92 115.64 111.99 1x4y s THR 17 Ca -0.01 -0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1x4y s THR 17 Cb -0.12 -0.57 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 1x4y s THR 17 CO -0.13 -0.16 0.07 -0.62 -0.54 0.00 0.00 174.62 173.24 1x4y s ASP 18 N 2.09 0.13 -0.38 3.99 -1.08 -0.18 -4.98 116.67 116.26 1x4y s ASP 18 Ca 0.02 -0.36 -0.20 0.00 -0.52 0.00 0.00 52.55 51.48 1x4y s ASP 18 Cb -0.15 0.17 0.01 0.00 -1.46 0.00 0.00 42.92 41.48 1x4y s ASP 18 CO -0.08 -0.36 0.63 0.00 0.52 0.00 0.00 175.17 175.88 1x4y s ALA 19 N -1.58 3.42 0.18 3.66 0.00 -1.26 0.18 121.76 126.35 1x4y s ALA 19 Ca -0.14 -0.97 0.12 0.00 0.00 0.00 0.00 51.96 50.98 1x4y s ALA 19 Cb -0.08 -3.21 0.31 0.00 0.00 0.00 0.00 23.12 20.15 1x4y s ALA 19 CO -0.00 -1.48 1.57 0.28 0.00 0.00 0.00 175.76 176.13 1x4y h VAL 20 N 5.74 1.29 -2.82 0.00 2.07 -1.72 -3.46 116.25 117.35 1x4y h VAL 20 Ca -0.26 -2.21 -0.03 0.00 0.82 0.00 0.00 66.70 65.01 1x4y h VAL 20 Cb 1.11 2.24 0.01 0.00 -1.52 0.00 0.00 31.29 33.13 1x4y h VAL 20 CO 0.85 0.60 0.21 0.59 0.02 0.00 0.00 177.57 179.84 1x4y n ASN 21 N -3.59 -1.81 0.22 0.57 3.02 -0.48 -4.93 115.26 108.25 1x4y n ASN 21 Ca -0.00 -2.28 0.08 0.00 -0.03 0.00 0.00 54.58 52.35 1x4y n ASN 21 Cb 0.66 3.03 0.53 0.00 -0.61 0.00 0.00 39.78 43.38 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 -1.86 -2.95 114.58 117.40 1x4y h GLU 22 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1x4y h GLU 22 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1x4y h GLU 22 CO 0.34 0.24 -0.08 0.25 0.07 0.00 0.00 179.01 179.83 1x4y n THR 23 N -3.73 1.26 -4.02 -1.06 -2.24 -1.26 -3.13 114.28 100.10 1x4y n THR 23 Ca -0.01 -1.47 -0.12 0.00 -2.27 0.00 0.00 64.05 60.18 1x4y n THR 23 Cb 0.35 0.13 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.80 0.29 -0.06 4.28 2.01 -1.14 -2.39 115.64 116.83 1x4y s THR 24 Ca 0.17 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 1x4y s THR 24 Cb 0.15 -0.35 0.04 0.00 0.01 0.00 0.00 72.50 72.35 1x4y s THR 24 CO 0.02 -0.27 0.13 -0.63 -0.69 0.00 0.00 174.62 173.18 1x4y s ILE 25 N -0.95 -0.05 -0.16 1.82 1.01 -0.55 -1.39 121.20 120.93 1x4y s ILE 25 Ca -0.08 0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.68 1x4y s ILE 25 Cb -0.07 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1x4y s ILE 25 CO -0.00 0.07 0.06 -0.32 0.00 0.00 0.00 174.94 174.75 1x4y s MET 26 N 1.10 3.81 0.02 2.79 -2.45 0.13 -0.09 119.30 124.60 1x4y s MET 26 Ca -0.09 -0.34 0.01 0.00 -1.25 0.00 0.00 55.69 54.03 1x4y s MET 26 Cb -0.11 -3.15 -0.01 0.00 1.25 0.00 0.00 34.83 32.80 1x4y s MET 26 CO -0.05 0.37 -0.03 -0.48 1.05 0.00 0.00 175.02 175.87 1x4y s LEU 27 N 0.09 2.16 -0.02 4.11 2.34 -0.74 -1.01 118.68 125.61 1x4y s LEU 27 Ca 0.05 -0.35 0.06 0.00 0.06 0.00 0.00 54.13 53.95 1x4y s LEU 27 Cb -0.12 -0.02 -0.01 0.00 -0.56 0.00 0.00 46.19 45.48 1x4y s LEU 27 CO 0.01 -0.17 -0.19 -0.54 -1.06 0.00 0.00 176.35 174.40 1x4y s LYS 28 N -0.99 1.60 0.24 1.48 1.02 -0.10 -2.36 119.74 120.63 1x4y s LYS 28 Ca -0.09 -0.68 0.11 0.00 0.02 0.00 0.00 55.97 55.33 1x4y s LYS 28 Cb -0.07 -1.52 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 1x4y s LYS 28 CO -0.00 0.39 -0.19 1.67 -0.92 0.00 0.00 175.35 176.30 1x4y s TRP 29 N -0.38 2.36 0.33 3.18 -2.14 -0.79 -1.81 118.94 119.68 1x4y s TRP 29 Ca 0.06 -0.32 0.09 0.00 2.66 0.00 0.00 56.10 58.58 1x4y s TRP 29 Cb -0.08 -1.09 -0.05 0.00 -3.10 0.00 0.00 33.47 29.15 1x4y s TRP 29 CO -0.00 0.61 0.03 0.00 -2.66 0.00 0.00 176.95 174.93 1x4y s MET 30 N -3.13 2.16 -0.05 3.25 0.23 0.53 -4.84 119.30 117.45 1x4y s MET 30 Ca 0.26 -1.66 0.02 0.00 -1.03 0.00 0.00 55.69 53.28 1x4y s MET 30 Cb -0.07 -2.01 0.01 0.00 -1.53 0.00 0.00 34.83 31.24 1x4y s MET 30 CO 0.13 0.17 -0.10 -0.47 -2.03 0.00 0.00 175.02 172.72 1x4y s TYR 31 N -2.47 1.19 -0.48 3.16 5.04 -1.26 -2.32 117.35 120.21 1x4y s TYR 31 Ca 0.35 -0.38 -0.07 0.00 -2.44 0.00 0.00 57.07 54.52 1x4y s TYR 31 Cb -0.02 -0.89 0.12 0.00 0.35 0.00 0.00 41.96 41.53 1x4y s TYR 31 CO 0.20 -0.20 0.33 0.42 -1.34 0.00 0.00 175.55 174.96 1x4y s ILE 32 N 0.53 3.99 -0.17 3.14 1.09 -1.26 -4.93 121.20 123.60 1x4y s ILE 32 Ca -0.10 -1.96 0.29 0.00 -1.10 0.00 0.00 60.65 57.78 1x4y s ILE 32 Cb -0.13 -3.64 0.32 0.00 -1.06 0.00 0.00 42.46 37.95 1x4y s ILE 32 CO 0.02 -0.77 1.86 1.55 -0.10 0.00 0.00 174.94 177.50 1x4y h PRO 33 N 8.23 0.00 0.04 2.79 0.13 -1.99 -3.31 132.00 137.89 1x4y h PRO 33 Ca -0.17 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 1x4y h PRO 33 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1x4y h PRO 33 CO 0.81 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.37 1x4y h ALA 34 N 2.13 -0.72 -0.61 -0.56 0.00 -2.06 -2.31 119.26 115.13 1x4y h ALA 34 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 1x4y h ALA 34 Cb 0.42 0.64 -0.18 0.00 0.00 0.00 0.00 17.79 18.68 1x4y h ALA 34 CO 0.00 -0.77 0.53 0.43 0.00 0.00 0.00 179.25 179.44 1x4y n SER 35 N -3.63 6.72 -4.63 0.00 7.64 -1.25 -4.91 113.62 113.56 1x4y n SER 35 Ca -0.03 -3.24 -0.25 0.00 1.01 0.00 0.00 58.87 56.36 1x4y n SER 35 Cb 0.16 -1.03 -0.08 0.00 -1.01 0.00 0.00 64.21 62.25 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 -0.32 4.54 -0.31 6.43 2.47 -0.87 -4.79 114.94 122.09 1x4y s ASN 36 Ca 0.39 -0.54 0.01 0.00 0.42 0.00 0.00 52.86 53.15 1x4y s ASN 36 Cb 0.31 -0.87 0.37 0.00 -1.45 0.00 0.00 41.25 39.61 1x4y s ASN 36 CO -0.00 0.06 1.70 0.59 -3.72 0.00 0.00 177.10 175.73 1x4y n ASN 37 N -0.36 4.45 -3.94 -4.21 4.13 -1.26 -4.87 115.26 109.19 1x4y n ASN 37 Ca -0.09 -3.06 -0.29 0.00 1.68 0.00 0.00 54.58 52.82 1x4y n ASN 37 Cb 0.57 -0.81 -0.07 0.00 -1.54 0.00 0.00 39.78 37.93 1x4y n ASN 37 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1x4y n ASN 38 N -0.35 -0.17 -4.67 6.41 2.85 -1.26 -4.89 115.26 113.18 1x4y n ASN 38 Ca 0.37 -1.01 -0.35 0.00 -0.11 0.00 0.00 54.58 53.49 1x4y n ASN 38 Cb 1.03 -1.27 -0.10 0.00 1.24 0.00 0.00 39.78 40.69 1x4y n ASN 38 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1x4y s THR 39 N -3.56 4.23 0.24 -0.44 -1.32 -1.26 -5.09 115.64 108.45 1x4y s THR 39 Ca 0.28 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 1x4y s THR 39 Cb -0.16 -2.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.95 1x4y s THR 39 CO 0.81 0.58 1.27 -2.16 -2.21 0.00 0.00 174.62 172.91 1x4y s PRO 40 N -0.96 4.42 -0.10 7.08 0.04 -1.26 -5.00 135.00 139.22 1x4y s PRO 40 Ca 0.14 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 1x4y s PRO 40 Cb -0.11 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 1x4y s PRO 40 CO 0.03 -0.16 0.09 0.42 0.04 0.00 0.00 177.00 177.42 1x4y s ILE 41 N -0.37 5.05 0.07 0.56 1.01 -1.26 -4.66 121.20 121.60 1x4y s ILE 41 Ca 0.53 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 1x4y s ILE 41 Cb -0.36 -3.18 -0.11 0.00 0.01 0.00 0.00 42.46 38.81 1x4y s ILE 41 CO 0.42 0.60 1.39 0.45 0.00 0.00 0.00 174.94 177.80 1x4y h HIS 42 N 4.98 0.63 0.00 3.97 3.86 -1.75 -3.44 115.15 123.41 1x4y h HIS 42 Ca -0.53 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.49 1x4y h HIS 42 Cb 1.21 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1x4y h HIS 42 CO 0.71 0.86 0.00 0.41 0.86 0.00 0.00 177.93 180.77 1x4y n GLY 43 N 0.14 1.76 3.13 2.45 0.00 -1.23 -3.77 105.19 107.67 1x4y n GLY 43 Ca -0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 0.03 -0.55 -0.12 1.61 0.08 0.56 -4.04 117.98 115.55 1x4y s PHE 44 Ca 0.00 1.16 -0.10 0.00 0.12 0.00 0.00 56.93 58.11 1x4y s PHE 44 Cb 0.00 0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.53 1x4y s PHE 44 CO 0.00 -0.37 0.21 0.71 -0.10 0.00 0.00 175.22 175.67 1x4y s TYR 45 N 2.12 3.57 -0.14 0.36 2.02 0.00 0.86 117.35 126.14 1x4y s TYR 45 Ca -0.03 0.59 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 1x4y s TYR 45 Cb -0.11 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1x4y s TYR 45 CO -0.10 0.58 -0.13 0.42 -1.57 0.00 0.00 175.55 174.74 1x4y s ILE 46 N -0.60 1.49 -0.11 2.71 1.01 -0.13 -0.29 121.20 125.27 1x4y s ILE 46 Ca 0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1x4y s ILE 46 Cb -0.13 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1x4y s ILE 46 CO 0.05 0.44 0.04 -0.31 0.00 0.00 0.00 174.94 175.16 1x4y s TYR 47 N 1.47 3.26 -0.04 3.97 1.51 -0.10 -0.16 117.35 127.27 1x4y s TYR 47 Ca 0.04 0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.20 1x4y s TYR 47 Cb -0.13 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.86 1x4y s TYR 47 CO -0.10 0.43 0.24 1.52 -1.11 0.00 0.00 175.55 176.54 1x4y s TYR 48 N -0.61 -0.15 -0.23 2.71 -0.85 -1.25 -2.53 117.35 114.44 1x4y s TYR 48 Ca 0.11 0.29 -0.26 0.00 -0.52 0.00 0.00 57.07 56.68 1x4y s TYR 48 Cb -0.12 0.05 0.09 0.00 0.38 0.00 0.00 41.96 42.37 1x4y s TYR 48 CO 0.02 -0.28 0.86 -0.98 -1.52 0.00 0.00 175.55 173.65 1x4y s ARG 49 N -0.86 0.72 0.42 -3.49 1.04 -1.26 -2.02 118.95 113.51 1x4y s ARG 49 Ca -0.09 0.65 -0.25 0.00 -1.04 0.00 0.00 55.73 55.00 1x4y s ARG 49 Cb -0.05 0.35 -0.08 0.00 -2.04 0.00 0.00 34.95 33.13 1x4y s ARG 49 CO 0.02 -0.13 1.18 -1.25 -0.04 0.00 0.00 175.30 175.08 1x4y s PRO 50 N -0.07 3.96 0.50 3.89 0.04 -1.26 -4.18 135.00 137.88 1x4y s PRO 50 Ca -0.01 1.85 0.26 0.00 0.04 0.00 0.00 61.00 63.14 1x4y s PRO 50 Cb -0.04 -2.61 1.35 0.00 0.04 0.00 0.00 34.50 33.24 1x4y s PRO 50 CO -0.00 -0.40 1.92 0.00 0.04 0.00 0.00 177.00 178.56 1x4y h THR 51 N 2.21 0.66 0.00 1.26 1.03 -1.94 0.48 112.91 116.61 1x4y h THR 51 Ca -0.49 -0.04 -0.03 0.00 -0.01 0.00 0.00 66.41 65.84 1x4y h THR 51 Cb 1.24 0.54 -0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1x4y h THR 51 CO 0.62 0.02 -0.14 -0.78 -0.01 0.00 0.00 175.52 175.23 1x4y h ASP 52 N 0.11 0.00 -1.63 0.00 1.82 -1.92 -3.45 116.42 111.35 1x4y h ASP 52 Ca 0.37 0.00 -0.39 0.00 -0.39 0.00 0.00 57.03 56.62 1x4y h ASP 52 Cb 1.31 0.00 0.20 0.00 0.68 0.00 0.00 39.33 41.52 1x4y h ASP 52 CO -0.04 0.14 -1.48 -1.20 -1.61 0.00 0.00 179.24 175.05 1x4y n SER 53 N -3.57 -2.68 -0.01 2.28 7.64 0.17 -4.98 113.62 112.46 1x4y n SER 53 Ca -0.01 -0.12 -0.01 0.00 1.01 0.00 0.00 58.87 59.74 1x4y n SER 53 Cb 0.28 -0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.78 0.00 -3.45 6.43 3.58 -1.87 -3.50 116.42 115.84 1x4y h ASP 54 Ca -0.38 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 56.84 1x4y h ASP 54 Cb 1.15 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 1x4y h ASP 54 CO 0.24 0.13 -0.13 0.59 -2.88 0.00 0.00 179.24 177.19 1x4y n ASN 55 N -2.66 -0.97 0.06 2.28 3.02 -1.26 -5.01 115.26 110.72 1x4y n ASN 55 Ca -0.01 -2.43 0.21 0.00 -0.03 0.00 0.00 54.58 52.32 1x4y n ASN 55 Cb 0.04 1.84 0.68 0.00 -0.61 0.00 0.00 39.78 41.72 1x4y n ASN 55 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1x4y h ASP 56 N 1.48 0.00 0.00 6.41 3.58 -1.98 0.12 116.42 126.03 1x4y h ASP 56 Ca -0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1x4y h ASP 56 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1x4y h ASP 56 CO 0.27 0.00 0.27 -1.28 -2.88 0.00 0.00 179.24 175.63 1x4y h SER 57 N 0.00 0.00 0.16 2.28 0.87 -2.03 0.21 113.55 115.04 1x4y h SER 57 Ca 0.23 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.44 1x4y h SER 57 Cb 1.42 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.35 1x4y h SER 57 CO -0.00 0.00 -2.06 -0.67 -0.53 0.00 0.00 176.83 173.57 1x4y n ASP 58 N -2.23 1.72 -3.40 6.23 -0.08 0.43 -4.95 116.55 114.28 1x4y n ASP 58 Ca -0.01 0.17 -0.48 0.00 -1.51 0.00 0.00 54.79 52.95 1x4y n ASP 58 Cb 0.30 -0.51 -0.07 0.00 2.34 0.00 0.00 41.12 43.18 1x4y n ASP 58 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1x4y n TYR 59 N -3.31 1.23 -1.20 -0.67 4.01 0.74 -4.90 117.16 113.06 1x4y n TYR 59 Ca -0.32 0.82 -0.11 0.00 -0.16 0.00 0.00 57.90 58.14 1x4y n TYR 59 Cb 1.05 -1.59 0.08 0.00 -0.31 0.00 0.00 39.34 38.56 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 2.79 -0.76 -3.41 -0.72 4.01 -0.85 -4.80 118.16 114.41 1x4y n LYS 60 Ca 0.22 -0.73 -0.16 0.00 -0.51 0.00 0.00 58.31 57.13 1x4y n LYS 60 Cb -0.04 -0.52 -0.10 0.00 -0.51 0.00 0.00 35.03 33.86 1x4y n LYS 60 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1x4y s LYS 61 N -4.03 0.29 -0.37 1.97 2.20 -1.24 -3.89 119.74 114.66 1x4y s LYS 61 Ca 0.27 0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.93 1x4y s LYS 61 Cb -0.01 -0.77 0.07 0.00 -1.51 0.00 0.00 37.83 35.60 1x4y s LYS 61 CO 0.19 -0.84 0.16 -0.51 -0.36 0.00 0.00 175.35 174.00 1x4y s ASP 62 N 2.40 5.36 0.60 1.43 1.11 0.77 -4.84 116.67 123.50 1x4y s ASP 62 Ca 0.09 -1.45 -0.17 0.00 0.18 0.00 0.00 52.55 51.21 1x4y s ASP 62 Cb -0.15 -1.88 -0.03 0.00 1.07 0.00 0.00 42.92 41.93 1x4y s ASP 62 CO -0.23 -0.43 1.09 -0.32 1.18 0.00 0.00 175.17 176.46 1x4y s MET 63 N 1.34 3.16 -0.05 8.23 1.75 -1.25 -0.96 119.30 131.52 1x4y s MET 63 Ca 0.01 1.37 -0.08 0.00 -1.25 0.00 0.00 55.69 55.75 1x4y s MET 63 Cb -0.21 -2.00 0.01 0.00 2.84 0.00 0.00 34.83 35.47 1x4y s MET 63 CO 0.01 -0.96 0.19 0.08 -0.65 0.00 0.00 175.02 173.69 1x4y s VAL 64 N -2.24 0.03 0.30 10.11 1.01 0.25 -4.91 120.40 124.95 1x4y s VAL 64 Ca 0.67 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 62.18 1x4y s VAL 64 Cb -0.19 -0.35 -0.15 0.00 0.00 0.00 0.00 36.38 35.69 1x4y s VAL 64 CO 0.35 -0.12 0.52 -0.62 0.00 0.00 0.00 175.10 175.24 1x4y n GLU 65 N 2.46 0.34 0.22 2.72 -0.58 -1.26 -0.32 120.64 124.22 1x4y n GLU 65 Ca -0.16 0.12 0.07 0.00 -0.42 0.00 0.00 57.16 56.77 1x4y n GLU 65 Cb 0.58 -1.24 0.52 0.00 -0.57 0.00 0.00 31.44 30.73 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 1.00 0.00 1.41 0.62 0.00 -1.84 -1.81 103.07 102.45 1x4y h GLY 66 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1x4y h GLY 66 CO 0.55 0.00 -0.30 1.22 0.00 0.00 0.00 176.54 178.00 1x4y n ASP 67 N -4.02 0.32 -4.72 0.19 8.00 -1.26 -4.81 116.55 110.24 1x4y n ASP 67 Ca -0.02 0.06 -0.37 0.00 0.71 0.00 0.00 54.79 55.17 1x4y n ASP 67 Cb 0.30 -0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 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 -3.01 4.30 -0.03 -1.24 6.06 -0.68 -4.95 118.95 119.41 1x4y s ARG 68 Ca 0.12 0.30 0.11 0.00 -2.50 0.00 0.00 55.73 53.75 1x4y s ARG 68 Cb 0.18 -3.44 0.31 0.00 0.06 0.00 0.00 34.95 32.06 1x4y s ARG 68 CO 0.63 0.18 1.25 0.66 -2.50 0.00 0.00 175.30 175.53 1x4y n TYR 69 N 3.67 0.48 -4.10 5.12 4.02 -1.26 -4.72 117.16 120.36 1x4y n TYR 69 Ca -0.09 -0.56 -0.14 0.00 -0.01 0.00 0.00 57.90 57.10 1x4y n TYR 69 Cb 0.52 -0.07 -0.13 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.26 0.53 0.08 -0.72 1.48 -1.26 -1.89 118.94 115.90 1x4y s TRP 70 Ca 0.24 -0.28 -0.15 0.00 -1.06 0.00 0.00 56.10 54.85 1x4y s TRP 70 Cb 0.14 -0.33 0.03 0.00 -1.16 0.00 0.00 33.47 32.15 1x4y s TRP 70 CO 0.13 -0.05 0.34 -1.58 -4.06 0.00 0.00 176.95 171.74 1x4y s HIS 71 N -0.72 -0.13 -0.20 1.66 2.46 -0.99 -5.00 115.29 112.35 1x4y s HIS 71 Ca -0.04 -0.09 -0.00 0.00 0.47 0.00 0.00 55.06 55.40 1x4y s HIS 71 Cb -0.06 0.15 0.05 0.00 -0.13 0.00 0.00 32.58 32.60 1x4y s HIS 71 CO 0.00 -0.59 -0.05 -1.54 -2.47 0.00 0.00 174.74 170.09 1x4y s SER 72 N -2.44 3.35 0.54 9.88 1.04 -1.26 -1.80 113.70 123.01 1x4y s SER 72 Ca -0.01 -0.93 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 1x4y s SER 72 Cb 0.01 -1.04 -0.06 0.00 0.10 0.00 0.00 66.02 65.03 1x4y s SER 72 CO -0.07 -0.21 1.03 -0.63 0.98 0.00 0.00 173.24 174.33 1x4y s ILE 73 N 1.52 4.03 0.31 -1.02 1.01 0.88 -4.84 121.20 123.09 1x4y s ILE 73 Ca -0.03 1.05 0.02 0.00 0.00 0.00 0.00 60.65 61.70 1x4y s ILE 73 Cb -0.17 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1x4y s ILE 73 CO -0.07 -0.48 0.33 -0.44 0.00 0.00 0.00 174.94 174.28 1x4y s SER 74 N -2.64 1.15 -1.03 3.58 0.01 -1.26 -1.49 113.70 112.02 1x4y s SER 74 Ca 0.63 -1.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.28 1x4y s SER 74 Cb -0.14 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1x4y s SER 74 CO 0.30 -1.11 0.87 1.41 0.41 0.00 0.00 173.24 175.12 1x4y n HIS 75 N -0.54 -1.99 -4.03 2.43 8.25 -1.00 -4.96 115.22 113.37 1x4y n HIS 75 Ca 0.04 0.80 -0.15 0.00 -0.26 0.00 0.00 57.72 58.15 1x4y n HIS 75 Cb 0.63 -4.48 -0.02 0.00 1.12 0.00 0.00 29.99 27.24 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 -3.78 0.00 -4.89 2.41 4.77 -1.18 -5.09 117.00 109.23 1x4y n LEU 76 Ca -0.16 -1.58 -0.35 0.00 -0.03 0.00 0.00 56.01 53.90 1x4y n LEU 76 Cb 0.61 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1x4y n LEU 76 CO 0.51 -0.34 -0.15 -1.10 -1.33 0.00 0.00 177.39 174.98 1x4y s GLN 77 N -3.07 3.45 0.53 3.23 -0.21 -1.26 -4.67 119.66 117.66 1x4y s GLN 77 Ca 0.08 -0.23 -0.20 0.00 0.02 0.00 0.00 55.36 55.03 1x4y s GLN 77 Cb -0.01 -3.13 -0.06 0.00 1.00 0.00 0.00 33.01 30.81 1x4y s GLN 77 CO 0.05 0.71 1.13 -1.25 -2.12 0.00 0.00 175.29 173.82 1x4y s PRO 78 N -1.60 3.40 -1.24 2.91 0.04 -1.18 -3.48 135.00 133.84 1x4y s PRO 78 Ca 0.23 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 1x4y s PRO 78 Cb -0.12 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.46 1x4y s PRO 78 CO 0.13 -0.81 0.22 -0.85 0.04 0.00 0.00 177.00 175.73 1x4y n GLU 79 N -1.21 -0.87 -3.97 4.56 0.28 -0.48 -4.86 120.64 114.08 1x4y n GLU 79 Ca 0.11 0.08 -0.34 0.00 -0.16 0.00 0.00 57.16 56.86 1x4y n GLU 79 Cb 0.51 -3.00 -0.14 0.00 1.43 0.00 0.00 31.44 30.23 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 -3.30 2.65 -0.47 3.84 2.01 -1.23 -4.90 115.64 114.24 1x4y s THR 80 Ca 0.31 -1.53 -0.29 0.00 0.31 0.00 0.00 61.69 60.49 1x4y s THR 80 Cb -0.18 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.80 1x4y s THR 80 CO 0.73 -0.11 1.15 -0.55 -0.69 0.00 0.00 174.62 175.16 1x4y s SER 81 N 1.20 6.63 0.07 3.53 0.15 -1.26 -3.74 113.70 120.28 1x4y s SER 81 Ca -0.06 0.51 0.03 0.00 0.70 0.00 0.00 55.95 57.12 1x4y s SER 81 Cb -0.20 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1x4y s SER 81 CO -0.03 -1.25 -0.09 -0.72 1.20 0.00 0.00 173.24 172.36 1x4y s TYR 82 N 4.47 0.86 0.48 3.44 -0.85 -1.26 -4.40 117.35 120.10 1x4y s TYR 82 Ca 0.48 -0.64 -0.21 0.00 -0.52 0.00 0.00 57.07 56.18 1x4y s TYR 82 Cb -0.08 -0.50 -0.07 0.00 0.38 0.00 0.00 41.96 41.69 1x4y s TYR 82 CO 0.31 -0.07 1.10 -0.51 -1.52 0.00 0.00 175.55 174.86 1x4y s ASP 83 N -2.18 6.18 -0.01 -0.18 1.11 -1.26 -3.49 116.67 116.84 1x4y s ASP 83 Ca -0.00 2.11 0.01 0.00 0.18 0.00 0.00 52.55 54.84 1x4y s ASP 83 Cb -0.04 -2.58 0.01 0.00 1.07 0.00 0.00 42.92 41.38 1x4y s ASP 83 CO -0.01 -0.90 -0.03 -0.63 1.18 0.00 0.00 175.17 174.78 1x4y s ILE 84 N -1.77 0.27 0.19 0.77 1.01 0.21 -4.09 121.20 117.79 1x4y s ILE 84 Ca 0.67 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 61.15 1x4y s ILE 84 Cb -0.22 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.96 1x4y s ILE 84 CO 0.26 0.11 0.32 -1.59 0.00 0.00 0.00 174.94 174.05 1x4y s LYS 85 N 0.34 1.25 0.33 2.79 -2.85 -1.05 -0.10 119.74 120.45 1x4y s LYS 85 Ca -0.03 -1.22 -0.04 0.00 -1.00 0.00 0.00 55.97 53.68 1x4y s LYS 85 Cb -0.06 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1x4y s LYS 85 CO -0.01 -0.47 0.47 0.00 0.10 0.00 0.00 175.35 175.45 1x4y s MET 86 N -3.99 1.85 -0.27 1.78 0.23 -1.26 -0.92 119.30 116.72 1x4y s MET 86 Ca 0.20 -1.68 -0.25 0.00 -1.03 0.00 0.00 55.69 52.92 1x4y s MET 86 Cb 0.03 0.45 0.11 0.00 -1.53 0.00 0.00 34.83 33.88 1x4y s MET 86 CO 0.03 -0.77 0.96 -1.14 -2.03 0.00 0.00 175.02 172.07 1x4y s GLN 87 N -3.18 0.59 0.39 3.16 0.74 0.60 -1.18 119.66 120.78 1x4y s GLN 87 Ca 0.29 0.64 -0.01 0.00 0.05 0.00 0.00 55.36 56.34 1x4y s GLN 87 Cb -0.00 0.28 -0.03 0.00 1.10 0.00 0.00 33.01 34.36 1x4y s GLN 87 CO 0.18 -0.08 0.62 0.00 -0.55 0.00 0.00 175.29 175.46 1x4y s PHE 89 N -2.45 0.23 0.24 0.00 -0.71 -1.26 -0.33 117.98 113.70 1x4y s PHE 89 Ca 0.43 -0.60 -0.22 0.00 -1.04 0.00 0.00 56.93 55.49 1x4y s PHE 89 Cb -0.10 0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1x4y s PHE 89 CO 0.38 -0.70 0.83 0.54 -1.34 0.00 0.00 175.22 174.94 1x4y s ASN 90 N -2.92 -0.19 0.41 1.98 4.22 -0.33 -1.94 114.94 116.18 1x4y s ASN 90 Ca 0.12 -0.59 0.29 0.00 -2.14 0.00 0.00 52.86 50.54 1x4y s ASN 90 Cb 0.03 0.64 1.42 0.00 1.28 0.00 0.00 41.25 44.62 1x4y s ASN 90 CO -0.04 -1.20 1.53 -1.84 -2.04 0.00 0.00 177.10 173.51 1x4y n GLU 91 N -0.48 -0.04 -0.09 3.55 0.28 -1.26 0.11 120.64 122.71 1x4y n GLU 91 Ca -0.05 1.26 -0.12 0.00 -0.16 0.00 0.00 57.16 58.09 1x4y n GLU 91 Cb 0.60 -2.41 -0.04 0.00 1.43 0.00 0.00 31.44 31.01 1x4y n GLU 91 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1x4y h GLY 92 N 0.00 0.54 0.00 -1.84 0.00 -1.91 -3.50 103.07 96.36 1x4y h GLY 92 Ca 0.85 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1x4y h GLY 92 CO -0.54 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.02 1x4y n GLY 93 N -0.16 -1.66 3.81 4.60 0.00 0.31 -4.35 105.19 107.74 1x4y n GLY 93 Ca -0.04 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.98 4.26 0.61 1.61 2.02 -1.26 -1.18 118.70 122.78 1x4y s GLU 94 Ca 0.00 0.81 -0.10 0.00 0.02 0.00 0.00 54.97 55.70 1x4y s GLU 94 Cb 0.00 -3.21 0.14 0.00 0.10 0.00 0.00 34.13 31.16 1x4y s GLU 94 CO 0.00 0.61 0.84 -1.13 0.02 0.00 0.00 175.26 175.60 1x4y n SER 95 N 1.61 0.08 -4.72 -0.19 3.41 0.55 -4.87 113.62 109.50 1x4y n SER 95 Ca -0.09 -1.31 -0.30 0.00 -0.26 0.00 0.00 58.87 56.90 1x4y n SER 95 Cb 0.50 -0.64 0.13 0.00 -0.26 0.00 0.00 64.21 63.95 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 -4.82 1.46 -0.34 4.33 2.02 -0.79 -4.80 118.70 115.76 1x4y s GLU 96 Ca 0.47 1.08 -0.29 0.00 0.02 0.00 0.00 54.97 56.25 1x4y s GLU 96 Cb -0.01 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.41 1x4y s GLU 96 CO 0.33 -2.17 1.27 -0.06 0.02 0.00 0.00 175.26 174.65 1x4y s PHE 97 N -2.84 2.71 1.06 1.61 0.40 -1.26 -4.63 117.98 115.03 1x4y s PHE 97 Ca 0.63 0.86 -0.16 0.00 -0.60 0.00 0.00 56.93 57.67 1x4y s PHE 97 Cb -0.19 -4.00 0.10 0.00 0.51 0.00 0.00 43.02 39.44 1x4y s PHE 97 CO 0.57 -1.60 0.25 -1.13 0.70 0.00 0.00 175.22 174.02 1x4y n SER 98 N 7.74 -2.15 -3.84 1.36 3.41 -0.33 -4.95 113.62 114.87 1x4y n SER 98 Ca 0.14 0.04 -0.28 0.00 -0.26 0.00 0.00 58.87 58.51 1x4y n SER 98 Cb 0.47 -1.08 0.25 0.00 -0.26 0.00 0.00 64.21 63.59 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 -1.90 -3.03 -4.27 4.04 6.94 -1.26 -4.64 115.26 111.14 1x4y n ASN 99 Ca 0.03 -0.48 -0.37 0.00 -0.02 0.00 0.00 54.58 53.74 1x4y n ASN 99 Cb 0.58 -1.03 -0.13 0.00 -2.36 0.00 0.00 39.78 36.84 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 -2.21 3.59 -0.15 3.53 1.01 -1.26 -4.47 120.40 120.44 1x4y s VAL 100 Ca 0.61 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1x4y s VAL 100 Cb -0.15 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1x4y s VAL 100 CO 0.57 -0.02 -0.01 -0.04 0.00 0.00 0.00 175.10 175.61 1x4y s MET 101 N 1.40 3.67 -0.52 2.72 -1.94 0.86 -4.87 119.30 120.62 1x4y s MET 101 Ca -0.00 -0.46 -0.15 0.00 -1.71 0.00 0.00 55.69 53.36 1x4y s MET 101 Cb -0.18 -2.97 0.12 0.00 2.01 0.00 0.00 34.83 33.80 1x4y s MET 101 CO 0.01 0.31 0.46 0.42 -0.01 0.00 0.00 175.02 176.20 1x4y s ILE 102 N 0.21 5.06 -0.31 2.53 1.01 -1.26 0.65 121.20 129.09 1x4y s ILE 102 Ca -0.00 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.12 1x4y s ILE 102 Cb -0.13 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.14 1x4y s ILE 102 CO 0.02 -0.80 0.09 0.00 0.00 0.00 0.00 174.94 174.25 1x4y s GLU 104 N 1.47 4.47 1.31 0.00 2.12 -1.26 -4.31 118.70 122.50 1x4y s GLU 104 Ca 0.01 1.42 -0.21 0.00 0.36 0.00 0.00 54.97 56.55 1x4y s GLU 104 Cb -0.18 -3.51 0.33 0.00 0.26 0.00 0.00 34.13 31.03 1x4y s GLU 104 CO 0.03 -0.23 1.04 0.95 -0.54 0.00 0.00 175.26 176.50 1x4y s THR 105 N 1.67 1.40 0.27 -1.70 -4.23 -1.24 -4.57 115.64 107.23 1x4y s THR 105 Ca 0.50 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.95 1x4y s THR 105 Cb -0.20 -2.32 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 1x4y s THR 105 CO 0.22 0.00 0.54 -0.54 -0.54 0.00 0.00 174.62 174.29 1x4y s LYS 106 N -5.32 3.66 0.25 3.99 1.02 -1.13 -4.11 119.74 118.10 1x4y s LYS 106 Ca 0.70 0.04 -0.30 0.00 0.02 0.00 0.00 55.97 56.44 1x4y s LYS 106 Cb -0.10 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 1x4y s LYS 106 CO 0.57 0.25 1.32 0.00 -0.92 0.00 0.00 175.35 176.56 1x4y s ALA 107 N -2.01 3.53 -2.00 5.17 0.00 -1.26 -1.39 121.76 123.81 1x4y s ALA 107 Ca 0.44 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.65 1x4y s ALA 107 Cb -0.11 -3.48 0.44 0.00 0.00 0.00 0.00 23.12 19.97 1x4y s ALA 107 CO 0.28 -0.57 1.14 2.89 0.00 0.00 0.00 175.76 179.50 1x4y n ARG 108 N 1.99 0.83 -1.63 0.00 1.85 -1.26 -4.76 116.66 113.68 1x4y n ARG 108 Ca 0.04 0.00 -0.56 0.00 -1.00 0.00 0.00 57.85 56.34 1x4y n ARG 108 Cb 0.42 -1.14 -0.07 0.00 -1.05 0.00 0.00 32.46 30.62 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 -0.64 2.34 0.00 2.89 2.88 -1.26 -4.68 113.62 115.15 1x4y n SER 109 Ca 0.06 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1x4y n SER 109 Cb 0.03 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 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 4.89 3.14 1.91 0.46 0.00 -1.26 -5.10 105.19 109.23 1x4y n GLY 110 Ca 0.31 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 1x4y n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4y n PRO 111 N -0.63 -2.18 -0.01 1.61 -0.04 -1.26 -5.02 135.00 127.47 1x4y n PRO 111 Ca 0.00 -0.95 -0.06 0.00 -0.04 0.00 0.00 63.50 62.45 1x4y n PRO 111 Cb 0.00 -0.89 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 1x4y n PRO 111 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x4y h SER 112 N -1.95 -0.09 -5.37 3.54 4.64 -1.99 -3.50 113.55 108.83 1x4y h SER 112 Ca -0.22 -0.27 0.27 0.00 -0.47 0.00 0.00 61.79 61.10 1x4y h SER 112 Cb 0.69 0.02 -0.12 0.00 -0.31 0.00 0.00 62.40 62.67 1x4y h SER 112 CO 0.15 0.52 0.73 -0.55 -0.87 0.00 0.00 176.83 176.81 1x4y s SER 113 N -5.60 -0.11 0.00 4.97 0.15 -1.26 -5.27 113.70 106.58 1x4y s SER 113 Ca -0.07 -0.16 0.30 0.00 0.70 0.00 0.00 55.95 56.72 1x4y s SER 113 Cb -0.00 0.24 1.54 0.00 -1.71 0.00 0.00 66.02 66.08 1x4y s SER 113 CO 0.25 -0.43 2.02 0.61 1.20 0.00 0.00 173.24 176.89