#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 -0.01 -0.21 1.61 0.01 -1.26 -5.08 113.70 108.76 1x4y s SER 2 Ca 0.00 -0.58 -0.10 0.00 1.31 0.00 0.00 55.95 56.59 1x4y s SER 2 Cb 0.00 0.40 -0.19 0.00 0.21 0.00 0.00 66.02 66.44 1x4y s SER 2 CO 0.00 -0.81 0.04 -1.54 0.41 0.00 0.00 173.24 171.34 1x4y n SER 3 N -0.15 1.99 0.00 2.44 3.41 -1.26 -5.04 113.62 115.01 1x4y n SER 3 Ca -0.14 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1x4y n SER 3 Cb 0.63 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1x4y n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4y n GLY 4 N 1.77 1.33 0.06 5.00 0.00 -1.26 -5.08 105.19 107.01 1x4y n GLY 4 Ca -0.40 0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.01 -1.18 1.61 0.02 -2.01 -3.46 113.55 108.52 1x4y h SER 5 Ca 0.00 -0.28 -0.66 0.00 -0.84 0.00 0.00 61.79 60.01 1x4y h SER 5 Cb 0.00 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.66 1x4y h SER 5 CO 0.00 0.63 -0.58 -1.20 -1.14 0.00 0.00 176.83 174.54 1x4y n SER 6 N -4.74 -1.44 -3.23 3.07 7.64 -1.26 -4.84 113.62 108.81 1x4y n SER 6 Ca -0.03 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1x4y n SER 6 Cb 0.14 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1x4y n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4y n GLY 7 N 2.03 -0.76 3.77 0.23 0.00 -1.26 -4.97 105.19 104.23 1x4y n GLY 7 Ca 0.17 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 3.73 0.00 1.61 0.04 -1.26 -4.94 135.00 134.18 1x4y s PRO 8 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1x4y s PRO 8 Cb 0.00 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1x4y s PRO 8 CO 0.00 -0.57 0.00 1.33 0.04 0.00 0.00 177.00 177.80 1x4y n VAL 9 N -0.54 0.00 -0.42 -0.36 0.24 -1.26 -3.38 118.33 112.61 1x4y n VAL 9 Ca 0.08 0.00 0.36 0.00 -2.04 0.00 0.00 64.34 62.74 1x4y n VAL 9 Cb 0.48 -0.25 0.62 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 n ALA 10 N -2.00 1.23 -1.51 2.33 0.00 -1.26 -2.33 120.51 116.97 1x4y n ALA 10 Ca 0.00 0.83 0.03 0.00 0.00 0.00 0.00 53.44 54.30 1x4y n ALA 10 Cb 0.25 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.45 -3.91 3.74 0.00 0.00 -1.26 -4.86 105.19 97.45 1x4y n GLY 11 Ca 0.37 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -5.17 1.66 -0.21 1.61 0.04 -1.26 -4.93 135.00 126.74 1x4y s PRO 12 Ca 0.00 0.96 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 1x4y s PRO 12 Cb 0.00 -1.84 0.06 0.00 0.04 0.00 0.00 34.50 32.75 1x4y s PRO 12 CO 0.00 -2.00 -0.02 -0.47 0.04 0.00 0.00 177.00 174.55 1x4y s TYR 13 N -2.92 1.79 -0.16 0.56 5.04 -1.15 -4.55 117.35 115.96 1x4y s TYR 13 Ca 0.62 -1.32 -0.29 0.00 -2.44 0.00 0.00 57.07 53.64 1x4y s TYR 13 Cb -0.18 -1.34 -0.04 0.00 0.35 0.00 0.00 41.96 40.76 1x4y s TYR 13 CO 0.57 -0.69 1.77 0.42 -1.34 0.00 0.00 175.55 176.28 1x4y s ILE 14 N 1.60 3.46 -0.63 3.14 1.01 -1.26 -2.06 121.20 126.46 1x4y s ILE 14 Ca -0.03 0.53 0.08 0.00 0.00 0.00 0.00 60.65 61.23 1x4y s ILE 14 Cb -0.18 -3.46 0.23 0.00 0.01 0.00 0.00 42.46 39.06 1x4y s ILE 14 CO -0.07 -0.18 1.19 0.35 0.00 0.00 0.00 174.94 176.23 1x4y n THR 15 N 6.39 1.05 -3.66 2.92 -2.24 -1.09 -4.96 114.28 112.68 1x4y n THR 15 Ca 0.21 -1.04 -0.08 0.00 -2.27 0.00 0.00 64.05 60.87 1x4y n THR 15 Cb 0.44 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.07 -0.91 -0.19 4.78 2.19 -1.20 -5.02 117.98 116.56 1x4y s PHE 16 Ca 0.17 1.78 -0.04 0.00 0.33 0.00 0.00 56.93 59.18 1x4y s PHE 16 Cb 0.09 0.49 0.09 0.00 -1.31 0.00 0.00 43.02 42.38 1x4y s PHE 16 CO 0.11 -0.48 0.23 0.95 1.83 0.00 0.00 175.22 177.86 1x4y s THR 17 N 1.86 -0.34 0.01 0.12 -4.23 -1.26 -1.44 115.64 110.36 1x4y s THR 17 Ca -0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1x4y s THR 17 Cb -0.08 -0.64 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 1x4y s THR 17 CO -0.16 -0.15 -0.00 -0.62 -0.54 0.00 0.00 174.62 173.14 1x4y s ASP 18 N 2.34 0.14 -0.24 3.99 -1.08 -0.41 -4.95 116.67 116.46 1x4y s ASP 18 Ca 0.06 -0.32 -0.22 0.00 -0.52 0.00 0.00 52.55 51.56 1x4y s ASP 18 Cb -0.15 0.09 -0.01 0.00 -1.46 0.00 0.00 42.92 41.39 1x4y s ASP 18 CO -0.12 -0.22 0.72 0.00 0.52 0.00 0.00 175.17 176.07 1x4y s ALA 19 N -1.03 3.62 -0.17 3.66 0.00 -1.26 0.32 121.76 126.90 1x4y s ALA 19 Ca -0.11 -0.28 0.18 0.00 0.00 0.00 0.00 51.96 51.75 1x4y s ALA 19 Cb -0.07 -3.13 0.28 0.00 0.00 0.00 0.00 23.12 20.20 1x4y s ALA 19 CO -0.00 -0.83 1.55 0.28 0.00 0.00 0.00 175.76 176.76 1x4y h VAL 20 N 5.39 0.61 -2.36 0.00 2.07 -1.61 -3.46 116.25 116.89 1x4y h VAL 20 Ca -0.26 -1.74 0.08 0.00 0.82 0.00 0.00 66.70 65.60 1x4y h VAL 20 Cb 1.11 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1x4y h VAL 20 CO 0.81 0.33 0.36 0.59 0.02 0.00 0.00 177.57 179.69 1x4y n ASN 21 N -3.22 -1.31 0.07 0.57 3.02 -0.30 -4.90 115.26 109.19 1x4y n ASN 21 Ca 0.02 -1.75 0.11 0.00 -0.03 0.00 0.00 54.58 52.93 1x4y n ASN 21 Cb 0.63 2.14 0.44 0.00 -0.61 0.00 0.00 39.78 42.38 1x4y n ASN 21 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1x4y n GLU 22 N -0.48 0.12 0.00 3.52 0.28 -1.26 -2.60 120.64 120.23 1x4y n GLU 22 Ca -0.03 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1x4y n GLU 22 Cb 0.41 -1.71 0.00 0.00 1.43 0.00 0.00 31.44 31.57 1x4y n GLU 22 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1x4y n THR 23 N -1.94 0.27 -4.16 3.84 -2.24 -1.26 -2.50 114.28 106.28 1x4y n THR 23 Ca 0.04 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 1x4y n THR 23 Cb 0.25 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.27 0.67 -0.01 4.28 2.01 -1.17 -2.33 115.64 118.81 1x4y s THR 24 Ca 0.00 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1x4y s THR 24 Cb 0.00 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.87 1x4y s THR 24 CO 0.00 -0.15 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.15 1x4y s ILE 25 N -0.91 0.11 -0.26 1.82 1.01 -0.44 -1.15 121.20 121.38 1x4y s ILE 25 Ca -0.04 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1x4y s ILE 25 Cb -0.07 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.23 1x4y s ILE 25 CO 0.01 0.09 0.04 -0.32 0.00 0.00 0.00 174.94 174.75 1x4y s MET 26 N 0.55 3.30 0.02 2.79 -2.45 0.15 -0.49 119.30 123.16 1x4y s MET 26 Ca -0.05 -0.71 0.06 0.00 -1.25 0.00 0.00 55.69 53.75 1x4y s MET 26 Cb -0.08 -3.25 -0.02 0.00 1.25 0.00 0.00 34.83 32.74 1x4y s MET 26 CO -0.01 -0.31 -0.19 -0.48 1.05 0.00 0.00 175.02 175.07 1x4y s LEU 27 N 1.51 2.12 0.01 4.11 2.34 -0.90 -1.29 118.68 126.59 1x4y s LEU 27 Ca 0.04 -0.45 0.07 0.00 0.06 0.00 0.00 54.13 53.86 1x4y s LEU 27 Cb -0.16 -0.93 -0.02 0.00 -0.56 0.00 0.00 46.19 44.52 1x4y s LEU 27 CO 0.01 0.17 -0.22 -0.54 -1.06 0.00 0.00 176.35 174.71 1x4y s LYS 28 N -0.90 1.62 0.25 1.48 1.02 -0.52 -2.76 119.74 119.93 1x4y s LYS 28 Ca 0.07 -0.88 0.11 0.00 0.02 0.00 0.00 55.97 55.29 1x4y s LYS 28 Cb -0.08 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.52 1x4y s LYS 28 CO 0.01 0.44 -0.19 1.67 -0.92 0.00 0.00 175.35 176.36 1x4y s TRP 29 N -0.65 2.14 0.37 3.18 -2.14 -1.14 -2.68 118.94 118.02 1x4y s TRP 29 Ca 0.08 -0.39 0.08 0.00 2.66 0.00 0.00 56.10 58.54 1x4y s TRP 29 Cb -0.09 -0.96 -0.06 0.00 -3.10 0.00 0.00 33.47 29.26 1x4y s TRP 29 CO 0.00 0.59 0.00 0.00 -2.66 0.00 0.00 176.95 174.89 1x4y s MET 30 N -3.38 1.98 0.01 3.25 0.23 -0.88 -4.86 119.30 115.66 1x4y s MET 30 Ca 0.26 -1.92 0.02 0.00 -1.03 0.00 0.00 55.69 53.02 1x4y s MET 30 Cb -0.05 -1.78 -0.01 0.00 -1.53 0.00 0.00 34.83 31.46 1x4y s MET 30 CO 0.12 0.05 -0.07 -0.47 -2.03 0.00 0.00 175.02 172.62 1x4y s TYR 31 N -2.61 0.66 -0.23 3.16 5.04 -1.26 -2.91 117.35 119.19 1x4y s TYR 31 Ca 0.35 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1x4y s TYR 31 Cb 0.04 -0.42 0.03 0.00 0.35 0.00 0.00 41.96 41.97 1x4y s TYR 31 CO 0.19 -0.02 -0.11 0.42 -1.34 0.00 0.00 175.55 174.69 1x4y s ILE 32 N -0.41 2.51 0.20 3.14 -1.09 -1.26 -4.98 121.20 119.32 1x4y s ILE 32 Ca 0.01 -1.13 0.25 0.00 -2.23 0.00 0.00 60.65 57.55 1x4y s ILE 32 Cb -0.04 -2.26 0.26 0.00 -1.58 0.00 0.00 42.46 38.83 1x4y s ILE 32 CO -0.00 0.24 1.89 1.55 -1.23 0.00 0.00 174.94 177.40 1x4y h PRO 33 N 7.94 0.00 0.16 2.79 0.13 -2.00 -3.31 132.00 137.71 1x4y h PRO 33 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1x4y h PRO 33 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1x4y h PRO 33 CO 0.57 0.19 -0.08 0.00 -0.23 0.00 0.00 178.00 178.45 1x4y h ALA 34 N 1.81 -0.66 0.00 -0.56 0.00 -2.07 -3.27 119.26 114.51 1x4y h ALA 34 Ca -0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1x4y h ALA 34 Cb 0.64 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1x4y h ALA 34 CO 0.02 -0.65 -0.18 -1.13 0.00 0.00 0.00 179.25 177.32 1x4y n SER 35 N -2.87 4.14 -4.54 0.00 3.41 -1.25 -4.81 113.62 107.70 1x4y n SER 35 Ca -0.03 -2.25 -0.25 0.00 -0.26 0.00 0.00 58.87 56.08 1x4y n SER 35 Cb 0.09 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 62.84 1x4y n SER 35 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1x4y s ASN 36 N 2.19 3.45 -0.24 4.04 2.47 -1.23 -4.52 114.94 121.09 1x4y s ASN 36 Ca 0.47 -1.28 0.14 0.00 0.42 0.00 0.00 52.86 52.60 1x4y s ASN 36 Cb 0.22 -0.30 0.74 0.00 -1.45 0.00 0.00 41.25 40.46 1x4y s ASN 36 CO 0.00 -0.37 1.69 0.59 -3.72 0.00 0.00 177.10 175.29 1x4y n ASN 37 N -0.81 5.12 -3.87 -4.21 3.02 -1.26 -4.94 115.26 108.31 1x4y n ASN 37 Ca -0.05 -3.03 -0.25 0.00 -0.03 0.00 0.00 54.58 51.22 1x4y n ASN 37 Cb 0.65 -0.67 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1x4y n ASN 37 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1x4y n ASN 38 N 0.19 -1.62 -4.13 6.41 2.85 -1.26 -4.98 115.26 112.71 1x4y n ASN 38 Ca 0.29 -0.90 -0.23 0.00 -0.11 0.00 0.00 54.58 53.64 1x4y n ASN 38 Cb 1.17 -3.56 -0.15 0.00 1.24 0.00 0.00 39.78 38.48 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 -3.68 1.21 0.45 -0.44 -1.32 -1.26 -5.14 115.64 105.47 1x4y s THR 39 Ca 0.17 -0.70 -0.23 0.00 -1.21 0.00 0.00 61.69 59.72 1x4y s THR 39 Cb -0.09 -1.02 -0.07 0.00 -1.51 0.00 0.00 72.50 69.81 1x4y s THR 39 CO 0.85 0.31 1.17 -2.16 -2.21 0.00 0.00 174.62 172.58 1x4y s PRO 40 N -0.45 3.78 -0.11 7.08 0.04 -1.26 -4.95 135.00 139.13 1x4y s PRO 40 Ca 0.06 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1x4y s PRO 40 Cb -0.06 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1x4y s PRO 40 CO -0.00 -0.54 0.02 0.42 0.04 0.00 0.00 177.00 176.94 1x4y s ILE 41 N -1.53 4.45 0.08 0.56 1.01 -1.26 -4.59 121.20 119.92 1x4y s ILE 41 Ca 0.63 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 1x4y s ILE 41 Cb -0.29 -2.91 -0.16 0.00 0.01 0.00 0.00 42.46 39.11 1x4y s ILE 41 CO 0.35 0.58 1.28 0.45 0.00 0.00 0.00 174.94 177.60 1x4y h HIS 42 N 5.52 0.93 0.00 3.97 3.86 -1.73 -3.44 115.15 124.25 1x4y h HIS 42 Ca -0.47 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.33 1x4y h HIS 42 Cb 1.19 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1x4y h HIS 42 CO 0.62 1.22 0.00 0.41 0.86 0.00 0.00 177.93 181.04 1x4y n GLY 43 N 0.69 2.19 3.13 2.45 0.00 -1.21 -3.73 105.19 108.71 1x4y n GLY 43 Ca -0.08 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.29 -0.66 0.00 1.61 0.08 0.10 -4.10 117.98 114.72 1x4y s PHE 44 Ca 0.00 1.24 -0.09 0.00 0.12 0.00 0.00 56.93 58.21 1x4y s PHE 44 Cb 0.00 0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.55 1x4y s PHE 44 CO 0.00 -0.46 0.30 0.71 -0.10 0.00 0.00 175.22 175.67 1x4y s TYR 45 N 2.53 3.61 -0.09 0.36 2.02 0.28 -0.21 117.35 125.85 1x4y s TYR 45 Ca 0.01 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.41 1x4y s TYR 45 Cb -0.12 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.38 1x4y s TYR 45 CO -0.12 0.62 -0.12 0.42 -1.57 0.00 0.00 175.55 174.78 1x4y s ILE 46 N -1.24 1.25 0.01 2.71 1.01 -0.59 -0.19 121.20 124.16 1x4y s ILE 46 Ca 0.26 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1x4y s ILE 46 Cb -0.14 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 1x4y s ILE 46 CO 0.14 0.39 -0.01 -0.31 0.00 0.00 0.00 174.94 175.16 1x4y s TYR 47 N 1.01 3.05 0.03 3.97 1.51 -0.05 -0.85 117.35 126.02 1x4y s TYR 47 Ca -0.07 0.06 -0.24 0.00 -1.01 0.00 0.00 57.07 55.80 1x4y s TYR 47 Cb -0.15 -1.65 0.06 0.00 -0.11 0.00 0.00 41.96 40.11 1x4y s TYR 47 CO -0.01 0.45 0.56 1.52 -1.11 0.00 0.00 175.55 176.96 1x4y s TYR 48 N -1.10 -0.48 -0.26 2.71 1.13 -1.25 -2.26 117.35 115.83 1x4y s TYR 48 Ca 0.20 0.61 -0.26 0.00 -1.41 0.00 0.00 57.07 56.21 1x4y s TYR 48 Cb -0.11 0.37 0.15 0.00 -1.10 0.00 0.00 41.96 41.26 1x4y s TYR 48 CO 0.11 -0.64 1.15 -0.98 -2.51 0.00 0.00 175.55 172.68 1x4y s ARG 49 N -2.21 0.38 0.48 -3.49 1.04 -1.25 -2.03 118.95 111.86 1x4y s ARG 49 Ca -0.06 0.33 -0.22 0.00 -1.04 0.00 0.00 55.73 54.74 1x4y s ARG 49 Cb -0.01 0.18 -0.07 0.00 -2.04 0.00 0.00 34.95 33.01 1x4y s ARG 49 CO 0.00 -0.07 1.16 -1.25 -0.04 0.00 0.00 175.30 175.10 1x4y s PRO 50 N -0.19 3.66 0.67 3.89 0.04 -1.26 -4.07 135.00 137.74 1x4y s PRO 50 Ca 0.04 1.73 0.41 0.00 0.04 0.00 0.00 61.00 63.21 1x4y s PRO 50 Cb -0.04 -2.30 2.21 0.00 0.04 0.00 0.00 34.50 34.41 1x4y s PRO 50 CO -0.07 -0.63 2.24 0.00 0.04 0.00 0.00 177.00 178.59 1x4y h THR 51 N 1.70 0.00 0.00 1.26 1.03 -1.93 0.14 112.91 115.11 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 1.25 0.90 -0.02 0.00 -1.07 0.00 0.00 68.15 69.22 1x4y h THR 51 CO 0.59 0.00 -0.57 -2.24 -0.01 0.00 0.00 175.52 173.29 1x4y h ASP 52 N 0.00 0.00 -1.91 0.00 3.04 -1.93 -3.47 116.42 112.15 1x4y h ASP 52 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 1x4y h ASP 52 Cb 0.19 0.00 0.19 0.00 -1.04 0.00 0.00 39.33 38.68 1x4y h ASP 52 CO 0.00 0.57 -1.34 -1.20 -2.04 0.00 0.00 179.24 175.23 1x4y n SER 53 N -3.32 -4.31 0.10 4.15 7.64 0.48 -4.89 113.62 113.46 1x4y n SER 53 Ca 0.01 0.47 -0.12 0.00 1.01 0.00 0.00 58.87 60.23 1x4y n SER 53 Cb 0.72 -0.78 -0.08 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 -0.34 -0.24 -2.15 6.43 1.82 -1.90 -3.49 116.42 116.55 1x4y h ASP 54 Ca -0.40 -0.27 -0.00 0.00 -0.39 0.00 0.00 57.03 55.97 1x4y h ASP 54 Cb 1.34 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1x4y h ASP 54 CO 0.34 0.19 0.20 -0.46 -1.61 0.00 0.00 179.24 177.90 1x4y n ASN 55 N -5.03 -1.36 -0.08 2.28 6.94 -1.26 -5.00 115.26 111.75 1x4y n ASN 55 Ca -0.09 -1.91 0.26 0.00 -0.02 0.00 0.00 54.58 52.81 1x4y n ASN 55 Cb 0.25 2.26 0.71 0.00 -2.36 0.00 0.00 39.78 40.65 1x4y n ASN 55 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x4y h ASP 56 N 1.21 0.00 0.00 0.53 5.19 -1.99 0.16 116.42 121.53 1x4y h ASP 56 Ca -0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1x4y h ASP 56 Cb 0.76 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1x4y h ASP 56 CO 0.26 0.00 0.29 -1.28 -3.12 0.00 0.00 179.24 175.39 1x4y h SER 57 N 0.00 0.00 0.37 6.45 0.87 -2.01 0.37 113.55 119.60 1x4y h SER 57 Ca 0.35 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.59 1x4y h SER 57 Cb 1.60 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 1x4y h SER 57 CO -0.00 0.00 -1.65 -0.78 -0.53 0.00 0.00 176.83 173.87 1x4y h ASP 58 N 0.00 0.38 -0.86 6.23 1.82 -1.08 -3.47 116.42 119.45 1x4y h ASP 58 Ca 0.00 -0.60 -0.70 0.00 -0.39 0.00 0.00 57.03 55.34 1x4y h ASP 58 Cb 0.59 -0.12 0.03 0.00 0.68 0.00 0.00 39.33 40.51 1x4y h ASP 58 CO 0.00 1.51 0.23 -1.22 -1.61 0.00 0.00 179.24 178.15 1x4y n TYR 59 N -3.43 0.86 -2.63 0.28 4.01 0.13 -4.89 117.16 111.48 1x4y n TYR 59 Ca -0.20 0.93 -0.12 0.00 -0.16 0.00 0.00 57.90 58.36 1x4y n TYR 59 Cb 1.05 -1.83 0.05 0.00 -0.31 0.00 0.00 39.34 38.30 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 1.99 0.41 -3.69 -0.72 5.02 -0.86 -4.88 118.16 115.43 1x4y n LYS 60 Ca 0.20 -1.52 -0.12 0.00 -2.02 0.00 0.00 58.31 54.85 1x4y n LYS 60 Cb 0.03 -0.28 -0.13 0.00 -0.02 0.00 0.00 35.03 34.63 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 -3.69 0.21 -0.21 1.97 2.20 -1.25 -3.86 119.74 115.11 1x4y s LYS 61 Ca 0.34 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 1x4y s LYS 61 Cb -0.02 -0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.29 1x4y s LYS 61 CO 0.22 -0.22 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.33 1x4y s ASP 62 N 1.83 3.69 0.33 1.43 1.11 -0.02 -4.88 116.67 120.16 1x4y s ASP 62 Ca -0.05 -0.97 -0.28 0.00 0.18 0.00 0.00 52.55 51.44 1x4y s ASP 62 Cb -0.11 -1.50 -0.09 0.00 1.07 0.00 0.00 42.92 42.29 1x4y s ASP 62 CO -0.09 -0.08 1.13 -0.32 1.18 0.00 0.00 175.17 176.98 1x4y s MET 63 N 1.21 4.40 0.04 8.23 1.75 -1.26 -1.54 119.30 132.13 1x4y s MET 63 Ca -0.01 1.81 -0.00 0.00 -1.25 0.00 0.00 55.69 56.24 1x4y s MET 63 Cb -0.16 -2.96 -0.03 0.00 2.84 0.00 0.00 34.83 34.53 1x4y s MET 63 CO -0.10 -0.01 -0.04 0.08 -0.65 0.00 0.00 175.02 174.31 1x4y s VAL 64 N -1.30 0.22 0.59 10.11 1.01 0.70 -4.94 120.40 126.80 1x4y s VAL 64 Ca 0.50 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1x4y s VAL 64 Cb -0.31 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1x4y s VAL 64 CO 0.40 -0.67 0.99 -0.62 0.00 0.00 0.00 175.10 175.19 1x4y n GLU 65 N 1.02 0.95 0.20 2.72 -0.58 -1.26 -0.73 120.64 122.96 1x4y n GLU 65 Ca -0.20 0.37 0.14 0.00 -0.42 0.00 0.00 57.16 57.05 1x4y n GLU 65 Cb 0.57 -2.18 0.47 0.00 -0.57 0.00 0.00 31.44 29.73 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 0.56 0.00 0.23 0.62 0.00 -1.83 -2.98 103.07 99.68 1x4y h GLY 66 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1x4y h GLY 66 CO 0.51 0.00 -1.39 1.22 0.00 0.00 0.00 176.54 176.88 1x4y n ASP 67 N -2.76 0.49 -4.71 0.19 9.92 -1.26 -4.88 116.55 113.53 1x4y n ASP 67 Ca 0.03 -0.31 -0.40 0.00 -0.53 0.00 0.00 54.79 53.58 1x4y n ASP 67 Cb 0.36 1.29 -0.05 0.00 -0.64 0.00 0.00 41.12 42.09 1x4y n ASP 67 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1x4y s ARG 68 N -3.28 4.42 -0.23 -1.24 3.52 -1.12 -4.95 118.95 116.07 1x4y s ARG 68 Ca 0.00 0.83 0.13 0.00 -0.13 0.00 0.00 55.73 56.57 1x4y s ARG 68 Cb 0.14 -3.45 0.49 0.00 -1.56 0.00 0.00 34.95 30.57 1x4y s ARG 68 CO 0.86 0.06 1.41 0.66 -0.81 0.00 0.00 175.30 177.48 1x4y n TYR 69 N 3.82 0.89 -3.84 5.12 4.02 -1.26 -4.72 117.16 121.19 1x4y n TYR 69 Ca -0.02 -1.25 -0.12 0.00 -0.01 0.00 0.00 57.90 56.51 1x4y n TYR 69 Cb 0.51 -0.38 -0.10 0.00 -0.02 0.00 0.00 39.34 39.35 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 -3.04 -0.04 -0.10 -0.72 1.48 -1.26 -2.89 118.94 112.36 1x4y s TRP 70 Ca 0.42 0.05 -0.26 0.00 -1.06 0.00 0.00 56.10 55.25 1x4y s TRP 70 Cb 0.37 -0.00 0.06 0.00 -1.16 0.00 0.00 33.47 32.73 1x4y s TRP 70 CO 0.04 -0.27 0.61 -1.58 -4.06 0.00 0.00 176.95 171.69 1x4y s HIS 71 N -1.10 -0.60 -0.24 1.66 2.46 -1.11 -5.00 115.29 111.37 1x4y s HIS 71 Ca -0.12 1.17 0.02 0.00 0.47 0.00 0.00 55.06 56.60 1x4y s HIS 71 Cb -0.06 0.31 0.06 0.00 -0.13 0.00 0.00 32.58 32.75 1x4y s HIS 71 CO 0.02 -0.49 -0.09 -1.54 -2.47 0.00 0.00 174.74 170.17 1x4y s SER 72 N -0.75 4.01 0.52 9.88 1.04 -1.26 -2.11 113.70 125.04 1x4y s SER 72 Ca -0.08 -1.21 -0.18 0.00 0.48 0.00 0.00 55.95 54.95 1x4y s SER 72 Cb -0.02 -1.35 -0.07 0.00 0.10 0.00 0.00 66.02 64.68 1x4y s SER 72 CO 0.06 -0.20 1.03 -0.63 0.98 0.00 0.00 173.24 174.49 1x4y s ILE 73 N 1.27 3.92 0.36 -1.02 1.01 0.35 -4.83 121.20 122.25 1x4y s ILE 73 Ca -0.06 1.06 0.07 0.00 0.00 0.00 0.00 60.65 61.71 1x4y s ILE 73 Cb -0.19 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1x4y s ILE 73 CO -0.06 -0.39 0.25 -0.44 0.00 0.00 0.00 174.94 174.30 1x4y s SER 74 N -2.40 2.00 -1.27 3.58 0.01 -1.26 -1.33 113.70 113.03 1x4y s SER 74 Ca 0.65 -1.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.11 1x4y s SER 74 Cb -0.15 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1x4y s SER 74 CO 0.27 -1.05 1.09 1.41 0.41 0.00 0.00 173.24 175.37 1x4y n HIS 75 N -0.71 -2.52 -3.69 2.43 8.25 -0.98 -4.95 115.22 113.04 1x4y n HIS 75 Ca 0.04 0.98 -0.16 0.00 -0.26 0.00 0.00 57.72 58.32 1x4y n HIS 75 Cb 0.63 -5.07 0.00 0.00 1.12 0.00 0.00 29.99 26.67 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 -4.54 0.00 -4.85 2.41 4.77 -1.11 -5.09 117.00 108.59 1x4y n LEU 76 Ca -0.15 -1.78 -0.35 0.00 -0.03 0.00 0.00 56.01 53.69 1x4y n LEU 76 Cb 0.62 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1x4y n LEU 76 CO 0.63 -0.48 -0.19 -1.10 -1.33 0.00 0.00 177.39 174.92 1x4y s GLN 77 N -3.43 3.34 0.57 3.23 1.11 -1.26 -4.66 119.66 118.56 1x4y s GLN 77 Ca 0.21 -0.26 -0.18 0.00 0.01 0.00 0.00 55.36 55.13 1x4y s GLN 77 Cb -0.02 -3.08 -0.05 0.00 -1.01 0.00 0.00 33.01 28.86 1x4y s GLN 77 CO 0.13 0.72 1.12 -1.25 0.01 0.00 0.00 175.29 176.03 1x4y s PRO 78 N -1.37 3.23 -1.20 2.91 0.04 -1.04 -3.47 135.00 134.09 1x4y s PRO 78 Ca 0.19 1.56 -0.10 0.00 0.04 0.00 0.00 61.00 62.70 1x4y s PRO 78 Cb -0.12 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.52 1x4y s PRO 78 CO 0.09 -0.93 0.25 -0.85 0.04 0.00 0.00 177.00 175.60 1x4y n GLU 79 N -1.55 -0.86 -3.82 4.56 0.28 0.94 -4.85 120.64 115.34 1x4y n GLU 79 Ca 0.11 0.08 -0.36 0.00 -0.16 0.00 0.00 57.16 56.84 1x4y n GLU 79 Cb 0.51 -2.93 -0.12 0.00 1.43 0.00 0.00 31.44 30.33 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 -3.12 3.23 -0.67 3.84 2.01 -1.23 -4.88 115.64 114.84 1x4y s THR 80 Ca 0.34 -1.78 -0.27 0.00 0.31 0.00 0.00 61.69 60.29 1x4y s THR 80 Cb -0.20 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.24 1x4y s THR 80 CO 0.70 -0.48 1.44 -0.55 -0.69 0.00 0.00 174.62 175.04 1x4y s SER 81 N 1.61 5.96 0.10 3.53 0.15 -1.26 -3.82 113.70 119.96 1x4y s SER 81 Ca 0.04 -0.09 0.06 0.00 0.70 0.00 0.00 55.95 56.65 1x4y s SER 81 Cb -0.22 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 1x4y s SER 81 CO -0.03 -1.92 -0.15 -0.72 1.20 0.00 0.00 173.24 171.63 1x4y s TYR 82 N 6.53 1.35 0.51 3.44 -0.85 -1.26 -4.47 117.35 122.59 1x4y s TYR 82 Ca 0.46 -0.50 -0.21 0.00 -0.52 0.00 0.00 57.07 56.30 1x4y s TYR 82 Cb -0.10 -0.73 -0.06 0.00 0.38 0.00 0.00 41.96 41.45 1x4y s TYR 82 CO 0.19 0.11 1.16 -0.51 -1.52 0.00 0.00 175.55 174.98 1x4y s ASP 83 N -2.06 5.88 -0.02 -0.18 1.01 -1.26 -3.68 116.67 116.37 1x4y s ASP 83 Ca 0.03 2.28 -0.00 0.00 0.71 0.00 0.00 52.55 55.57 1x4y s ASP 83 Cb -0.08 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1x4y s ASP 83 CO 0.03 -1.11 0.03 -0.63 0.21 0.00 0.00 175.17 173.69 1x4y s ILE 84 N -1.63 -0.04 0.33 0.77 1.01 0.13 -3.93 121.20 117.84 1x4y s ILE 84 Ca 0.69 0.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.48 1x4y s ILE 84 Cb -0.27 -0.07 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 1x4y s ILE 84 CO 0.32 0.06 0.42 -1.59 0.00 0.00 0.00 174.94 174.15 1x4y s LYS 85 N 0.76 1.84 0.28 2.79 -2.85 -0.96 -0.41 119.74 121.20 1x4y s LYS 85 Ca -0.06 -1.79 -0.16 0.00 -1.00 0.00 0.00 55.97 52.96 1x4y s LYS 85 Cb -0.09 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.10 1x4y s LYS 85 CO -0.02 -0.74 0.60 0.00 0.10 0.00 0.00 175.35 175.29 1x4y s MET 86 N -3.20 1.73 -0.17 1.78 0.23 -1.26 -0.87 119.30 117.53 1x4y s MET 86 Ca 0.33 -1.19 -0.22 0.00 -1.03 0.00 0.00 55.69 53.57 1x4y s MET 86 Cb 0.00 0.54 0.06 0.00 -1.53 0.00 0.00 34.83 33.90 1x4y s MET 86 CO 0.21 -0.76 0.58 -1.14 -2.03 0.00 0.00 175.02 171.89 1x4y s GLN 87 N -3.78 0.76 0.34 3.16 0.74 0.73 -1.53 119.66 120.09 1x4y s GLN 87 Ca 0.18 0.63 0.01 0.00 0.05 0.00 0.00 55.36 56.23 1x4y s GLN 87 Cb -0.03 0.36 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 1x4y s GLN 87 CO 0.09 -0.14 0.54 0.00 -0.55 0.00 0.00 175.29 175.24 1x4y s PHE 89 N -2.31 0.20 0.35 0.00 -0.71 -1.26 -0.81 117.98 113.44 1x4y s PHE 89 Ca 0.40 -0.61 -0.06 0.00 -1.04 0.00 0.00 56.93 55.62 1x4y s PHE 89 Cb -0.10 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.68 1x4y s PHE 89 CO 0.36 -0.58 0.56 0.27 -1.34 0.00 0.00 175.22 174.48 1x4y n ASN 90 N -0.10 -1.58 -0.29 1.98 6.94 -0.99 -1.96 115.26 119.26 1x4y n ASN 90 Ca -0.13 -2.73 0.24 0.00 -0.02 0.00 0.00 54.58 51.93 1x4y n ASN 90 Cb 0.63 2.82 0.55 0.00 -2.36 0.00 0.00 39.78 41.42 1x4y n ASN 90 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1x4y h GLU 91 N 0.00 0.31 0.29 -3.83 4.81 -1.95 -2.64 114.58 111.57 1x4y h GLU 91 Ca -0.28 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 1x4y h GLU 91 Cb 1.16 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1x4y h GLU 91 CO 0.37 0.21 -0.14 0.78 -0.73 0.00 0.00 179.01 179.50 1x4y h GLY 92 N 0.32 -0.41 -1.22 1.92 0.00 -1.91 -3.50 103.07 98.26 1x4y h GLY 92 Ca 0.54 0.15 0.23 0.00 0.00 0.00 0.00 47.33 48.26 1x4y h GLY 92 CO -0.21 -0.15 0.61 0.61 0.00 0.00 0.00 176.54 177.40 1x4y n GLY 93 N 0.20 0.35 3.78 4.60 0.00 -1.00 -4.70 105.19 108.42 1x4y n GLY 93 Ca -0.05 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.01 4.56 0.53 1.61 2.02 -1.26 -2.35 118.70 121.80 1x4y s GLU 94 Ca 0.20 1.28 -0.06 0.00 0.02 0.00 0.00 54.97 56.41 1x4y s GLU 94 Cb -0.00 -2.85 0.12 0.00 0.10 0.00 0.00 34.13 31.49 1x4y s GLU 94 CO -0.01 0.32 0.72 -1.13 0.02 0.00 0.00 175.26 175.18 1x4y n SER 95 N 0.67 0.33 -4.62 -0.19 3.41 0.01 -4.87 113.62 108.36 1x4y n SER 95 Ca 0.01 -1.43 -0.29 0.00 -0.26 0.00 0.00 58.87 56.90 1x4y n SER 95 Cb 0.50 -0.52 0.19 0.00 -0.26 0.00 0.00 64.21 64.12 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 -4.46 0.15 -0.30 4.33 2.02 -0.99 -4.82 118.70 114.64 1x4y s GLU 96 Ca 0.43 0.77 -0.27 0.00 0.02 0.00 0.00 54.97 55.91 1x4y s GLU 96 Cb -0.02 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.54 1x4y s GLU 96 CO 0.29 -2.98 0.96 -0.06 0.02 0.00 0.00 175.26 173.49 1x4y s PHE 97 N -2.76 3.20 1.16 1.61 0.40 -1.26 -4.61 117.98 115.73 1x4y s PHE 97 Ca 0.66 1.10 -0.17 0.00 -0.60 0.00 0.00 56.93 57.91 1x4y s PHE 97 Cb -0.21 -3.43 0.20 0.00 0.51 0.00 0.00 43.02 40.09 1x4y s PHE 97 CO 0.60 -0.63 0.37 0.45 0.70 0.00 0.00 175.22 176.71 1x4y n SER 98 N 6.51 -2.80 -4.01 1.36 2.88 -0.58 -4.97 113.62 112.02 1x4y n SER 98 Ca 0.09 -0.34 -0.30 0.00 -1.33 0.00 0.00 58.87 56.99 1x4y n SER 98 Cb 0.47 -0.95 0.24 0.00 -0.75 0.00 0.00 64.21 63.23 1x4y n SER 98 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x4y s ASN 99 N -2.16 0.71 -0.33 -3.46 4.22 -1.26 -4.74 114.94 107.91 1x4y s ASN 99 Ca 0.54 0.94 -0.06 0.00 -2.14 0.00 0.00 52.86 52.13 1x4y s ASN 99 Cb -0.12 -1.39 0.03 0.00 1.28 0.00 0.00 41.25 41.06 1x4y s ASN 99 CO 0.55 -4.29 0.10 -0.69 -2.04 0.00 0.00 177.10 170.73 1x4y s VAL 100 N -2.72 3.80 -0.17 3.54 1.01 -1.26 -4.43 120.40 120.17 1x4y s VAL 100 Ca 0.69 -1.07 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1x4y s VAL 100 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1x4y s VAL 100 CO 0.58 -0.14 0.05 -0.04 0.00 0.00 0.00 175.10 175.56 1x4y s MET 101 N 1.42 3.84 -0.62 2.72 -1.94 0.45 -4.87 119.30 120.30 1x4y s MET 101 Ca -0.01 -0.35 -0.16 0.00 -1.71 0.00 0.00 55.69 53.46 1x4y s MET 101 Cb -0.19 -3.15 0.14 0.00 2.01 0.00 0.00 34.83 33.64 1x4y s MET 101 CO 0.03 0.33 0.61 0.42 -0.01 0.00 0.00 175.02 176.40 1x4y s ILE 102 N 0.19 5.22 -0.35 2.53 1.01 -1.26 0.20 121.20 128.73 1x4y s ILE 102 Ca 0.04 -1.63 -0.08 0.00 0.00 0.00 0.00 60.65 58.98 1x4y s ILE 102 Cb -0.12 -4.41 0.04 0.00 0.01 0.00 0.00 42.46 37.98 1x4y s ILE 102 CO 0.01 -0.97 0.14 0.00 0.00 0.00 0.00 174.94 174.12 1x4y s GLU 104 N 1.44 4.48 1.14 0.00 2.12 -1.26 -4.37 118.70 122.26 1x4y s GLU 104 Ca -0.01 1.51 -0.17 0.00 0.36 0.00 0.00 54.97 56.67 1x4y s GLU 104 Cb -0.20 -3.47 0.26 0.00 0.26 0.00 0.00 34.13 30.99 1x4y s GLU 104 CO 0.04 -0.19 1.09 0.95 -0.54 0.00 0.00 175.26 176.61 1x4y s THR 105 N 1.36 1.75 0.54 -1.70 -4.23 -1.25 -4.58 115.64 107.52 1x4y s THR 105 Ca 0.53 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.90 1x4y s THR 105 Cb -0.22 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.10 1x4y s THR 105 CO 0.25 0.00 0.98 -0.54 -0.54 0.00 0.00 174.62 174.77 1x4y s LYS 106 N -5.19 3.82 -0.07 3.99 -0.14 -1.07 -3.77 119.74 117.32 1x4y s LYS 106 Ca 0.69 0.84 -0.30 0.00 -1.36 0.00 0.00 55.97 55.84 1x4y s LYS 106 Cb -0.14 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.84 1x4y s LYS 106 CO 0.57 -0.35 1.13 0.00 -0.76 0.00 0.00 175.35 175.94 1x4y s ALA 107 N -2.78 3.45 -0.81 5.17 0.00 -1.26 -0.04 121.76 125.49 1x4y s ALA 107 Ca 0.57 0.55 -0.26 0.00 0.00 0.00 0.00 51.96 52.81 1x4y s ALA 107 Cb -0.10 -3.48 -0.14 0.00 0.00 0.00 0.00 23.12 19.39 1x4y s ALA 107 CO 0.39 -0.68 2.40 -0.98 0.00 0.00 0.00 175.76 176.89 1x4y s ARG 108 N 2.06 1.55 0.03 0.00 1.70 -1.26 -4.87 118.95 118.17 1x4y s ARG 108 Ca 0.53 0.45 0.04 0.00 -0.47 0.00 0.00 55.73 56.29 1x4y s ARG 108 Cb -0.23 -4.79 -0.04 0.00 -0.57 0.00 0.00 34.95 29.33 1x4y s ARG 108 CO 0.21 -4.54 -0.08 -1.12 -1.08 0.00 0.00 175.30 168.69 1x4y s SER 109 N 10.81 4.54 0.16 -2.89 0.01 -1.26 -5.11 113.70 119.95 1x4y s SER 109 Ca 0.92 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 58.00 1x4y s SER 109 Cb -0.13 -1.00 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1x4y s SER 109 CO 0.09 0.25 0.13 0.61 0.41 0.00 0.00 173.24 174.72 1x4y n GLY 110 N 1.31 3.52 0.00 3.44 0.00 -1.26 -5.01 105.19 107.19 1x4y n GLY 110 Ca -0.15 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.30 0.49 -0.25 1.61 -0.04 -1.26 -4.02 135.00 131.23 1x4y n PRO 111 Ca 0.03 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.65 1x4y n PRO 111 Cb 0.28 -1.43 0.29 0.00 -0.04 0.00 0.00 33.50 32.60 1x4y n PRO 111 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4y n SER 112 N -0.93 0.04 -4.62 3.54 7.64 -1.26 -3.78 113.62 114.25 1x4y n SER 112 Ca 0.10 1.23 -0.41 0.00 1.01 0.00 0.00 58.87 60.80 1x4y n SER 112 Cb 0.05 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 62.69 1x4y n SER 112 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4y s SER 113 N -4.88 6.64 0.00 6.43 1.04 -1.26 -5.32 113.70 116.36 1x4y s SER 113 Ca -0.08 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1x4y s SER 113 Cb 0.23 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1x4y s SER 113 CO 0.57 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.86