#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 1.69 -0.17 1.61 1.04 -1.26 -5.14 113.70 111.47 1x4y s SER 2 Ca 0.00 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.10 1x4y s SER 2 Cb 0.00 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 1x4y s SER 2 CO 0.00 0.18 0.08 -0.44 0.98 0.00 0.00 173.24 174.03 1x4y s SER 3 N -0.33 5.78 0.00 7.02 0.01 -1.26 -5.03 113.70 119.89 1x4y s SER 3 Ca 0.05 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1x4y s SER 3 Cb -0.06 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1x4y s SER 3 CO -0.01 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1x4y n GLY 4 N 3.22 1.10 3.64 3.44 0.00 -1.26 -5.11 105.19 110.22 1x4y n GLY 4 Ca -0.17 -1.56 -0.46 0.00 0.00 0.00 0.00 46.02 43.83 1x4y n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4y n SER 5 N 0.00 2.19 -4.04 1.61 7.64 -1.26 -4.97 113.62 114.78 1x4y n SER 5 Ca 0.00 1.15 -0.32 0.00 1.01 0.00 0.00 58.87 60.71 1x4y n SER 5 Cb 0.00 -1.36 -0.15 0.00 -1.01 0.00 0.00 64.21 61.69 1x4y n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4y s SER 6 N 0.07 4.38 0.29 6.43 1.04 -1.26 -5.07 113.70 119.59 1x4y s SER 6 Ca 0.68 -1.43 0.04 0.00 0.48 0.00 0.00 55.95 55.72 1x4y s SER 6 Cb -0.71 -1.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1x4y s SER 6 CO 0.52 -0.21 0.20 -0.83 0.98 0.00 0.00 173.24 173.91 1x4y s GLY 7 N 1.13 2.05 0.45 7.32 0.00 -1.26 -4.47 107.32 112.54 1x4y s GLY 7 Ca -0.07 -1.86 -0.23 0.00 0.00 0.00 0.00 44.72 42.56 1x4y s GLY 7 CO -0.06 -1.50 1.17 2.56 0.00 0.00 0.00 173.10 175.28 1x4y s PRO 8 N -3.73 3.80 0.00 2.90 0.04 -1.26 -4.82 135.00 131.92 1x4y s PRO 8 Ca 0.38 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1x4y s PRO 8 Cb 0.04 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1x4y s PRO 8 CO 0.21 -0.52 0.00 1.33 0.04 0.00 0.00 177.00 178.05 1x4y n VAL 9 N -0.41 0.00 -0.44 -0.36 0.24 -1.26 -3.71 118.33 112.40 1x4y n VAL 9 Ca 0.07 0.00 0.36 0.00 -2.04 0.00 0.00 64.34 62.73 1x4y n VAL 9 Cb 0.48 -0.21 0.64 0.00 -1.47 0.00 0.00 33.84 33.28 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 2.71 -3.75 2.33 0.00 -1.93 -2.71 119.26 115.92 1x4y h ALA 10 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x4y h ALA 10 Cb 0.37 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1x4y h ALA 10 CO 0.00 -1.32 -0.94 0.41 0.00 0.00 0.00 179.25 177.40 1x4y n GLY 11 N -1.52 -3.89 3.77 0.00 0.00 -1.26 -4.79 105.19 97.50 1x4y n GLY 11 Ca 0.36 -0.78 -0.33 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 -5.32 2.93 -0.15 1.61 0.04 -1.26 -4.82 135.00 128.03 1x4y s PRO 12 Ca 0.00 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1x4y s PRO 12 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1x4y s PRO 12 CO 0.00 -1.15 -0.17 -0.47 0.04 0.00 0.00 177.00 175.25 1x4y s TYR 13 N -2.21 2.36 -0.04 0.56 5.04 -0.97 -4.45 117.35 117.64 1x4y s TYR 13 Ca 0.68 -1.30 -0.30 0.00 -2.44 0.00 0.00 57.07 53.72 1x4y s TYR 13 Cb -0.21 -1.68 -0.05 0.00 0.35 0.00 0.00 41.96 40.37 1x4y s TYR 13 CO 0.38 -0.66 1.44 0.42 -1.34 0.00 0.00 175.55 175.79 1x4y s ILE 14 N 1.25 3.77 0.00 3.14 1.01 -1.26 -0.95 121.20 128.17 1x4y s ILE 14 Ca 0.01 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1x4y s ILE 14 Cb -0.14 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.64 1x4y s ILE 14 CO -0.08 -0.04 0.78 0.35 0.00 0.00 0.00 174.94 175.94 1x4y n THR 15 N 4.99 0.58 -3.68 2.92 -2.24 -0.92 -4.96 114.28 110.97 1x4y n THR 15 Ca 0.14 -0.77 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 1x4y n THR 15 Cb 0.44 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.58 -0.74 -0.20 4.78 5.36 -1.07 -5.00 117.98 120.53 1x4y s PHE 16 Ca 0.00 1.49 -0.04 0.00 -0.96 0.00 0.00 56.93 57.41 1x4y s PHE 16 Cb 0.00 0.33 0.09 0.00 -0.34 0.00 0.00 43.02 43.10 1x4y s PHE 16 CO 0.00 -0.42 0.21 0.95 -1.46 0.00 0.00 175.22 174.50 1x4y s THR 17 N 1.88 -0.31 0.03 0.12 -4.23 -1.26 -1.21 115.64 110.65 1x4y s THR 17 Ca -0.07 -0.11 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 1x4y s THR 17 Cb -0.09 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 73.06 1x4y s THR 17 CO -0.14 -0.20 -0.04 -1.81 -0.54 0.00 0.00 174.62 171.89 1x4y s ASP 18 N 2.31 0.42 -0.29 3.99 1.01 -0.01 -4.96 116.67 119.15 1x4y s ASP 18 Ca 0.06 -0.50 -0.20 0.00 0.71 0.00 0.00 52.55 52.63 1x4y s ASP 18 Cb -0.16 0.08 -0.01 0.00 1.01 0.00 0.00 42.92 43.84 1x4y s ASP 18 CO -0.12 -0.26 0.60 0.00 0.21 0.00 0.00 175.17 175.61 1x4y s ALA 19 N -1.39 3.55 -0.00 5.23 0.00 -1.26 0.17 121.76 128.06 1x4y s ALA 19 Ca -0.14 -0.62 0.16 0.00 0.00 0.00 0.00 51.96 51.37 1x4y s ALA 19 Cb -0.10 -3.05 0.33 0.00 0.00 0.00 0.00 23.12 20.31 1x4y s ALA 19 CO -0.01 -0.97 1.57 0.28 0.00 0.00 0.00 175.76 176.62 1x4y h VAL 20 N 5.50 0.90 -2.21 0.00 2.07 -1.69 -3.46 116.25 117.35 1x4y h VAL 20 Ca -0.27 -1.96 0.06 0.00 0.82 0.00 0.00 66.70 65.35 1x4y h VAL 20 Cb 1.12 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1x4y h VAL 20 CO 0.78 0.46 0.28 0.59 0.02 0.00 0.00 177.57 179.69 1x4y n ASN 21 N -3.35 -1.02 0.25 0.57 3.02 -0.39 -4.91 115.26 109.43 1x4y n ASN 21 Ca 0.01 -1.58 0.14 0.00 -0.03 0.00 0.00 54.58 53.12 1x4y n ASN 21 Cb 0.64 1.66 0.57 0.00 -0.61 0.00 0.00 39.78 42.05 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 9.09 -1.87 -2.51 114.58 122.81 1x4y h GLU 22 Ca -0.16 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.25 1x4y h GLU 22 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1x4y h GLU 22 CO 0.21 0.09 -0.07 0.25 0.05 0.00 0.00 179.01 179.53 1x4y n THR 23 N -3.21 0.93 -4.00 -1.06 -2.24 -1.26 -2.68 114.28 100.76 1x4y n THR 23 Ca 0.01 -1.05 -0.12 0.00 -2.27 0.00 0.00 64.05 60.62 1x4y n THR 23 Cb 0.37 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.22 0.23 -0.04 4.28 2.01 -1.17 -2.41 115.64 117.32 1x4y s THR 24 Ca 0.09 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 1x4y s THR 24 Cb 0.08 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.32 1x4y s THR 24 CO 0.01 -0.24 0.09 -0.63 -0.69 0.00 0.00 174.62 173.16 1x4y s ILE 25 N -0.85 -0.03 -0.14 1.82 1.01 -0.02 -1.26 121.20 121.73 1x4y s ILE 25 Ca -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 1x4y s ILE 25 Cb -0.06 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 1x4y s ILE 25 CO -0.00 0.04 -0.07 -0.32 0.00 0.00 0.00 174.94 174.59 1x4y s MET 26 N 0.60 3.54 0.00 2.79 -2.45 0.13 0.15 119.30 124.06 1x4y s MET 26 Ca -0.05 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 53.82 1x4y s MET 26 Cb -0.06 -2.80 -0.00 0.00 1.25 0.00 0.00 34.83 33.21 1x4y s MET 26 CO -0.02 0.25 -0.02 -0.48 1.05 0.00 0.00 175.02 175.79 1x4y s LEU 27 N 0.31 2.04 -0.05 4.11 2.34 -0.93 -0.83 118.68 125.67 1x4y s LEU 27 Ca -0.06 -0.11 0.05 0.00 0.06 0.00 0.00 54.13 54.07 1x4y s LEU 27 Cb -0.15 -0.07 -0.01 0.00 -0.56 0.00 0.00 46.19 45.41 1x4y s LEU 27 CO 0.04 -0.03 -0.21 -0.54 -1.06 0.00 0.00 176.35 174.55 1x4y s LYS 28 N -0.28 2.19 0.39 1.48 1.02 -0.35 -2.52 119.74 121.66 1x4y s LYS 28 Ca -0.02 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 55.29 1x4y s LYS 28 Cb -0.02 -1.86 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 1x4y s LYS 28 CO -0.00 0.30 0.17 1.67 -0.92 0.00 0.00 175.35 176.57 1x4y s TRP 29 N -0.03 2.63 0.30 3.18 -2.14 -0.96 -2.16 118.94 119.76 1x4y s TRP 29 Ca -0.05 -0.52 0.07 0.00 2.66 0.00 0.00 56.10 58.27 1x4y s TRP 29 Cb -0.13 -1.86 -0.06 0.00 -3.10 0.00 0.00 33.47 28.32 1x4y s TRP 29 CO 0.03 0.23 -0.06 0.00 -2.66 0.00 0.00 176.95 174.49 1x4y s MET 30 N -3.89 1.65 0.08 3.25 0.23 -0.12 -4.87 119.30 115.62 1x4y s MET 30 Ca 0.40 -1.85 0.09 0.00 -1.03 0.00 0.00 55.69 53.31 1x4y s MET 30 Cb 0.01 -1.32 -0.03 0.00 -1.53 0.00 0.00 34.83 31.97 1x4y s MET 30 CO 0.23 0.05 -0.23 -0.47 -2.03 0.00 0.00 175.02 172.57 1x4y s TYR 31 N -2.90 2.02 -0.38 3.16 5.04 -1.26 -2.30 117.35 120.73 1x4y s TYR 31 Ca 0.31 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.57 1x4y s TYR 31 Cb 0.04 -1.15 0.11 0.00 0.35 0.00 0.00 41.96 41.31 1x4y s TYR 31 CO 0.14 0.19 0.12 0.42 -1.34 0.00 0.00 175.55 175.08 1x4y s ILE 32 N -0.97 2.03 -1.28 3.14 -1.09 -1.26 -4.95 121.20 116.81 1x4y s ILE 32 Ca 0.10 -2.43 0.15 0.00 -2.23 0.00 0.00 60.65 56.24 1x4y s ILE 32 Cb -0.10 -2.47 0.21 0.00 -1.58 0.00 0.00 42.46 38.52 1x4y s ILE 32 CO 0.04 -0.69 1.43 -0.81 -1.23 0.00 0.00 174.94 173.67 1x4y n PRO 33 N 4.03 0.14 0.00 2.79 -0.04 -1.26 -3.79 135.00 136.87 1x4y n PRO 33 Ca 0.04 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1x4y n PRO 33 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1x4y n PRO 33 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4y n ALA 34 N -1.36 -0.13 -0.90 0.55 0.00 -1.26 -3.92 120.51 113.49 1x4y n ALA 34 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1x4y n ALA 34 Cb 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.46 4.80 -4.36 0.00 7.64 -1.25 -4.83 113.62 114.16 1x4y n SER 35 Ca 0.00 -2.37 -0.22 0.00 1.01 0.00 0.00 58.87 57.29 1x4y n SER 35 Cb 0.00 -1.26 -0.11 0.00 -1.01 0.00 0.00 64.21 61.83 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 2.14 2.85 -0.03 6.43 3.84 -1.25 -4.28 114.94 124.64 1x4y s ASN 36 Ca 0.59 -0.91 0.08 0.00 0.21 0.00 0.00 52.86 52.83 1x4y s ASN 36 Cb 0.28 -0.18 0.27 0.00 -0.55 0.00 0.00 41.25 41.07 1x4y s ASN 36 CO -0.00 -0.03 1.14 0.59 -2.79 0.00 0.00 177.10 176.01 1x4y n ASN 37 N 0.08 1.93 -3.15 -4.21 4.13 -1.26 -4.90 115.26 107.89 1x4y n ASN 37 Ca -0.11 -2.11 -0.15 0.00 1.68 0.00 0.00 54.58 53.89 1x4y n ASN 37 Cb 0.58 -0.31 0.08 0.00 -1.54 0.00 0.00 39.78 38.59 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 0.31 -2.96 -4.20 6.41 5.15 -1.26 -5.03 115.26 113.68 1x4y n ASN 38 Ca 0.10 -0.57 -0.26 0.00 -0.60 0.00 0.00 54.58 53.25 1x4y n ASN 38 Cb 0.36 -4.66 -0.15 0.00 -0.53 0.00 0.00 39.78 34.79 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 -3.33 1.54 0.52 -0.44 -1.32 -1.26 -5.13 115.64 106.22 1x4y s THR 39 Ca 0.09 -0.88 -0.20 0.00 -1.21 0.00 0.00 61.69 59.49 1x4y s THR 39 Cb -0.01 -1.29 -0.06 0.00 -1.51 0.00 0.00 72.50 69.63 1x4y s THR 39 CO 0.66 0.40 1.14 -2.16 -2.21 0.00 0.00 174.62 172.44 1x4y s PRO 40 N -0.56 3.47 -0.06 7.08 0.04 -1.26 -4.91 135.00 138.81 1x4y s PRO 40 Ca 0.07 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1x4y s PRO 40 Cb -0.08 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1x4y s PRO 40 CO -0.00 -0.76 -0.00 0.42 0.04 0.00 0.00 177.00 176.69 1x4y s ILE 41 N -1.71 4.23 0.06 0.56 1.01 -1.26 -4.72 121.20 119.37 1x4y s ILE 41 Ca 0.70 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.82 1x4y s ILE 41 Cb -0.25 -2.81 -0.23 0.00 0.01 0.00 0.00 42.46 39.17 1x4y s ILE 41 CO 0.29 0.53 1.17 0.45 0.00 0.00 0.00 174.94 177.38 1x4y h HIS 42 N 4.88 0.97 0.00 3.97 3.86 -1.78 -3.45 115.15 123.60 1x4y h HIS 42 Ca -0.50 -0.53 0.00 0.00 -1.16 0.00 0.00 60.37 58.18 1x4y h HIS 42 Cb 1.19 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.55 1x4y h HIS 42 CO 0.62 1.36 0.00 0.41 0.86 0.00 0.00 177.93 181.18 1x4y n GLY 43 N 1.09 1.99 3.02 2.45 0.00 -1.23 -3.60 105.19 108.90 1x4y n GLY 43 Ca -0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.55 -0.40 0.01 1.61 0.08 0.95 -4.10 117.98 115.58 1x4y s PHE 44 Ca 0.00 0.92 -0.09 0.00 0.12 0.00 0.00 56.93 57.88 1x4y s PHE 44 Cb 0.00 -0.02 -0.05 0.00 -0.57 0.00 0.00 43.02 42.38 1x4y s PHE 44 CO 0.00 -0.32 0.31 0.71 -0.10 0.00 0.00 175.22 175.82 1x4y s TYR 45 N 2.12 3.61 -0.06 0.36 2.02 0.11 0.92 117.35 126.42 1x4y s TYR 45 Ca -0.01 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.39 1x4y s TYR 45 Cb -0.12 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.39 1x4y s TYR 45 CO -0.08 0.61 -0.06 0.42 -1.57 0.00 0.00 175.55 174.86 1x4y s ILE 46 N -1.25 0.75 0.00 2.71 1.01 -0.60 -0.18 121.20 123.64 1x4y s ILE 46 Ca 0.27 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1x4y s ILE 46 Cb -0.14 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1x4y s ILE 46 CO 0.15 0.28 -0.07 -0.31 0.00 0.00 0.00 174.94 174.99 1x4y s TYR 47 N 1.10 2.88 -0.03 3.97 1.51 -0.10 -0.74 117.35 125.94 1x4y s TYR 47 Ca -0.08 -0.04 -0.21 0.00 -1.01 0.00 0.00 57.07 55.73 1x4y s TYR 47 Cb -0.14 -1.61 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1x4y s TYR 47 CO -0.01 0.37 0.45 1.52 -1.11 0.00 0.00 175.55 176.77 1x4y s TYR 48 N -0.98 -0.37 -0.28 2.71 1.13 -1.25 -2.58 117.35 115.72 1x4y s TYR 48 Ca 0.17 0.62 -0.24 0.00 -1.41 0.00 0.00 57.07 56.21 1x4y s TYR 48 Cb -0.11 0.21 0.13 0.00 -1.10 0.00 0.00 41.96 41.09 1x4y s TYR 48 CO 0.07 -0.46 1.02 -0.98 -2.51 0.00 0.00 175.55 172.69 1x4y s ARG 49 N -1.21 0.48 0.43 -3.49 1.04 -1.26 -2.28 118.95 112.66 1x4y s ARG 49 Ca -0.12 0.61 -0.24 0.00 -1.04 0.00 0.00 55.73 54.94 1x4y s ARG 49 Cb -0.03 0.22 -0.08 0.00 -2.04 0.00 0.00 34.95 33.02 1x4y s ARG 49 CO 0.06 -0.06 1.18 -1.25 -0.04 0.00 0.00 175.30 175.19 1x4y s PRO 50 N 0.41 3.90 0.66 3.89 0.04 -1.26 -4.18 135.00 138.45 1x4y s PRO 50 Ca 0.01 1.83 0.35 0.00 0.04 0.00 0.00 61.00 63.24 1x4y s PRO 50 Cb -0.05 -2.55 1.94 0.00 0.04 0.00 0.00 34.50 33.88 1x4y s PRO 50 CO -0.08 -0.45 2.11 0.00 0.04 0.00 0.00 177.00 178.62 1x4y h THR 51 N 2.10 0.05 0.00 1.26 1.03 -1.94 0.26 112.91 115.68 1x4y h THR 51 Ca -0.49 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.90 1x4y h THR 51 Cb 1.24 0.81 -0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1x4y h THR 51 CO 0.61 0.00 -0.04 -0.78 -0.01 0.00 0.00 175.52 175.30 1x4y h ASP 52 N 0.00 0.00 -2.29 0.00 3.58 -1.93 -3.45 116.42 112.33 1x4y h ASP 52 Ca 0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.18 1x4y h ASP 52 Cb 0.41 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.62 1x4y h ASP 52 CO -0.00 0.04 -0.27 -1.20 -2.88 0.00 0.00 179.24 174.93 1x4y n SER 53 N -3.16 -3.26 -0.14 2.28 7.64 0.93 -4.99 113.62 112.92 1x4y n SER 53 Ca 0.01 -0.50 -0.29 0.00 1.01 0.00 0.00 58.87 59.10 1x4y n SER 53 Cb 0.34 -0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 62.58 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 -2.70 1.94 -3.21 6.43 2.03 -1.26 -5.08 116.55 114.70 1x4y n ASP 54 Ca 0.08 0.34 -0.09 0.00 0.52 0.00 0.00 54.79 55.63 1x4y n ASP 54 Cb 0.44 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 1x4y n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x4y s ASN 55 N -7.40 0.04 0.66 1.67 2.20 -1.26 -4.99 114.94 105.86 1x4y s ASN 55 Ca -0.38 -1.06 0.17 0.00 -0.94 0.00 0.00 52.86 50.65 1x4y s ASN 55 Cb 0.14 0.79 0.92 0.00 -2.00 0.00 0.00 41.25 41.10 1x4y s ASN 55 CO 0.48 -1.55 1.51 0.44 -2.94 0.00 0.00 177.10 175.04 1x4y h ASP 56 N 2.02 0.00 0.00 3.54 5.19 -1.98 0.12 116.42 125.32 1x4y h ASP 56 Ca -0.29 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1x4y h ASP 56 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1x4y h ASP 56 CO 0.36 0.00 0.25 0.28 -3.12 0.00 0.00 179.24 177.01 1x4y h SER 57 N 0.00 0.00 0.17 6.45 0.02 -2.03 0.23 113.55 118.40 1x4y h SER 57 Ca 0.02 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.62 1x4y h SER 57 Cb 1.31 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.80 1x4y h SER 57 CO -0.00 0.00 -2.12 0.47 -1.14 0.00 0.00 176.83 174.04 1x4y n ASP 58 N -2.22 1.18 -4.40 3.07 8.00 0.43 -4.95 116.55 117.66 1x4y n ASP 58 Ca -0.01 0.14 -0.62 0.00 0.71 0.00 0.00 54.79 55.01 1x4y n ASP 58 Cb 0.27 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 1x4y n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1x4y n TYR 59 N -3.12 1.51 -2.00 1.24 4.01 0.82 -4.89 117.16 114.73 1x4y n TYR 59 Ca -0.31 1.06 -0.13 0.00 -0.16 0.00 0.00 57.90 58.36 1x4y n TYR 59 Cb 1.07 -2.06 0.08 0.00 -0.31 0.00 0.00 39.34 38.12 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 3.44 -0.18 -3.65 -0.72 5.02 -0.97 -4.85 118.16 116.26 1x4y n LYS 60 Ca 0.28 -1.26 -0.13 0.00 -2.02 0.00 0.00 58.31 55.18 1x4y n LYS 60 Cb -0.04 -0.51 -0.13 0.00 -0.02 0.00 0.00 35.03 34.33 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 -4.12 0.17 -0.26 1.97 2.20 -1.25 -3.93 119.74 114.53 1x4y s LYS 61 Ca 0.37 0.76 0.02 0.00 -0.36 0.00 0.00 55.97 56.76 1x4y s LYS 61 Cb -0.02 -0.03 0.06 0.00 -1.51 0.00 0.00 37.83 36.34 1x4y s LYS 61 CO 0.25 -0.30 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.37 1x4y s ASP 62 N 2.44 4.18 0.57 1.43 1.11 0.08 -4.88 116.67 121.60 1x4y s ASP 62 Ca 0.01 -1.36 -0.18 0.00 0.18 0.00 0.00 52.55 51.20 1x4y s ASP 62 Cb -0.12 -1.36 -0.04 0.00 1.07 0.00 0.00 42.92 42.46 1x4y s ASP 62 CO -0.09 -0.23 1.10 -0.32 1.18 0.00 0.00 175.17 176.80 1x4y s MET 63 N 1.24 3.28 -0.01 8.23 1.75 -1.26 -1.55 119.30 130.98 1x4y s MET 63 Ca -0.05 1.45 -0.03 0.00 -1.25 0.00 0.00 55.69 55.81 1x4y s MET 63 Cb -0.19 -2.01 -0.00 0.00 2.84 0.00 0.00 34.83 35.47 1x4y s MET 63 CO -0.06 -0.87 0.06 0.08 -0.65 0.00 0.00 175.02 173.57 1x4y s VAL 64 N -2.06 0.04 0.36 10.11 1.01 0.26 -4.90 120.40 125.22 1x4y s VAL 64 Ca 0.69 -0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1x4y s VAL 64 Cb -0.20 -0.19 -0.15 0.00 0.00 0.00 0.00 36.38 35.84 1x4y s VAL 64 CO 0.31 -0.18 0.40 -0.62 0.00 0.00 0.00 175.10 175.01 1x4y n GLU 65 N 2.45 0.28 0.24 2.72 -0.58 -1.26 -0.03 120.64 124.46 1x4y n GLU 65 Ca -0.17 0.10 0.10 0.00 -0.42 0.00 0.00 57.16 56.77 1x4y n GLU 65 Cb 0.58 -1.23 0.62 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.73 0.00 0.76 0.62 0.00 -1.84 -1.64 103.07 101.70 1x4y h GLY 66 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1x4y h GLY 66 CO 0.51 0.00 -0.32 1.22 0.00 0.00 0.00 176.54 177.95 1x4y n ASP 67 N -3.81 0.67 -4.74 0.19 8.00 -1.26 -4.85 116.55 110.75 1x4y n ASP 67 Ca -0.02 -0.49 -0.38 0.00 0.71 0.00 0.00 54.79 54.61 1x4y n ASP 67 Cb 0.27 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.43 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 -2.73 4.30 -0.02 -1.24 6.06 -0.62 -4.95 118.95 119.75 1x4y s ARG 68 Ca 0.19 0.51 0.06 0.00 -2.50 0.00 0.00 55.73 53.99 1x4y s ARG 68 Cb 0.19 -3.40 0.16 0.00 0.06 0.00 0.00 34.95 31.95 1x4y s ARG 68 CO 0.59 0.23 1.13 0.66 -2.50 0.00 0.00 175.30 175.41 1x4y n TYR 69 N 3.36 0.22 -3.94 5.12 4.02 -1.26 -4.77 117.16 119.90 1x4y n TYR 69 Ca -0.07 -0.56 -0.10 0.00 -0.01 0.00 0.00 57.90 57.16 1x4y n TYR 69 Cb 0.52 -0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.66 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 -1.25 0.18 -0.06 -0.72 1.48 -1.26 -2.27 118.94 115.04 1x4y s TRP 70 Ca 0.13 -0.37 -0.16 0.00 -1.06 0.00 0.00 56.10 54.65 1x4y s TRP 70 Cb 0.08 -0.13 0.03 0.00 -1.16 0.00 0.00 33.47 32.29 1x4y s TRP 70 CO 0.06 -0.18 0.36 -1.58 -4.06 0.00 0.00 176.95 171.56 1x4y s HIS 71 N -1.21 -0.29 -0.34 1.66 2.46 -1.05 -5.02 115.29 111.50 1x4y s HIS 71 Ca -0.13 0.57 0.00 0.00 0.47 0.00 0.00 55.06 55.97 1x4y s HIS 71 Cb -0.08 0.13 0.08 0.00 -0.13 0.00 0.00 32.58 32.59 1x4y s HIS 71 CO -0.00 -0.35 0.06 -1.54 -2.47 0.00 0.00 174.74 170.44 1x4y s SER 72 N -0.84 4.90 0.43 9.88 1.04 -1.26 -2.20 113.70 125.65 1x4y s SER 72 Ca -0.09 -1.76 -0.24 0.00 0.48 0.00 0.00 55.95 54.35 1x4y s SER 72 Cb -0.04 -1.70 -0.08 0.00 0.10 0.00 0.00 66.02 64.30 1x4y s SER 72 CO 0.03 -0.37 1.11 -0.63 0.98 0.00 0.00 173.24 174.37 1x4y s ILE 73 N 1.10 3.42 0.36 -1.02 1.01 0.12 -4.82 121.20 121.38 1x4y s ILE 73 Ca 0.03 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.82 1x4y s ILE 73 Cb -0.20 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1x4y s ILE 73 CO -0.04 -0.00 0.22 -1.20 0.00 0.00 0.00 174.94 173.91 1x4y n SER 74 N -0.26 0.19 -3.40 3.58 7.64 -1.26 -0.84 113.62 119.27 1x4y n SER 74 Ca 0.06 -3.15 -0.19 0.00 1.01 0.00 0.00 58.87 56.60 1x4y n SER 74 Cb 0.49 1.36 0.08 0.00 -1.01 0.00 0.00 64.21 65.13 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 -0.75 -2.37 -4.18 1.43 8.25 -1.01 -4.96 115.22 111.62 1x4y n HIS 75 Ca 0.01 0.94 -0.29 0.00 -0.26 0.00 0.00 57.72 58.12 1x4y n HIS 75 Cb 0.60 -4.96 -0.02 0.00 1.12 0.00 0.00 29.99 26.73 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 -4.34 0.00 -4.87 2.41 4.77 -1.19 -5.09 117.00 108.69 1x4y n LEU 76 Ca -0.17 -3.03 -0.35 0.00 -0.03 0.00 0.00 56.01 52.43 1x4y n LEU 76 Cb 0.62 0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 1x4y n LEU 76 CO 0.60 -0.55 0.00 -1.10 -1.33 0.00 0.00 177.39 175.02 1x4y s GLN 77 N -4.16 3.68 0.57 3.23 -0.21 -1.26 -4.61 119.66 116.90 1x4y s GLN 77 Ca 0.21 0.07 -0.18 0.00 0.02 0.00 0.00 55.36 55.48 1x4y s GLN 77 Cb -0.02 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 1x4y s GLN 77 CO 0.14 0.63 1.12 -1.25 -2.12 0.00 0.00 175.29 173.81 1x4y s PRO 78 N -1.68 3.24 -1.20 2.91 0.04 -1.09 -3.43 135.00 133.78 1x4y s PRO 78 Ca 0.28 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.75 1x4y s PRO 78 Cb -0.14 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.54 1x4y s PRO 78 CO 0.16 -0.93 0.32 -0.85 0.04 0.00 0.00 177.00 175.73 1x4y n GLU 79 N -1.55 -0.84 -3.78 4.56 0.28 0.27 -4.84 120.64 114.75 1x4y n GLU 79 Ca 0.11 0.09 -0.37 0.00 -0.16 0.00 0.00 57.16 56.83 1x4y n GLU 79 Cb 0.51 -2.96 -0.13 0.00 1.43 0.00 0.00 31.44 30.29 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 -2.76 3.63 -0.57 3.84 2.01 -1.22 -4.88 115.64 115.68 1x4y s THR 80 Ca 0.45 -1.22 -0.27 0.00 0.31 0.00 0.00 61.69 60.96 1x4y s THR 80 Cb -0.26 -3.08 0.03 0.00 0.01 0.00 0.00 72.50 69.20 1x4y s THR 80 CO 0.67 -0.19 1.12 -0.55 -0.69 0.00 0.00 174.62 174.99 1x4y s SER 81 N 1.41 6.41 0.12 3.53 0.15 -1.26 -3.66 113.70 120.41 1x4y s SER 81 Ca -0.02 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.64 1x4y s SER 81 Cb -0.20 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1x4y s SER 81 CO 0.02 -1.41 -0.10 -0.72 1.20 0.00 0.00 173.24 172.23 1x4y s TYR 82 N 4.68 1.14 0.49 3.44 -0.85 -1.26 -4.47 117.35 120.52 1x4y s TYR 82 Ca 0.39 -0.73 -0.19 0.00 -0.52 0.00 0.00 57.07 56.02 1x4y s TYR 82 Cb -0.09 -0.61 -0.08 0.00 0.38 0.00 0.00 41.96 41.56 1x4y s TYR 82 CO 0.23 0.02 1.01 -0.51 -1.52 0.00 0.00 175.55 174.79 1x4y s ASP 83 N -2.84 6.46 0.00 -0.18 1.01 -1.26 -3.42 116.67 116.45 1x4y s ASP 83 Ca 0.11 1.80 -0.02 0.00 0.71 0.00 0.00 52.55 55.16 1x4y s ASP 83 Cb 0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1x4y s ASP 83 CO -0.00 -0.69 0.02 -0.63 0.21 0.00 0.00 175.17 174.07 1x4y s ILE 84 N -2.19 0.06 0.26 0.77 1.01 -0.25 -4.07 121.20 116.80 1x4y s ILE 84 Ca 0.64 -0.53 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 1x4y s ILE 84 Cb -0.13 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.14 1x4y s ILE 84 CO 0.22 -0.29 0.59 -1.59 0.00 0.00 0.00 174.94 173.87 1x4y s LYS 85 N -0.88 1.65 0.20 2.79 -2.85 -1.07 -0.40 119.74 119.19 1x4y s LYS 85 Ca -0.10 -1.12 -0.12 0.00 -1.00 0.00 0.00 55.97 53.63 1x4y s LYS 85 Cb -0.06 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1x4y s LYS 85 CO -0.00 -0.72 0.41 0.00 0.10 0.00 0.00 175.35 175.13 1x4y s MET 86 N -3.97 1.34 -0.10 1.78 0.23 -1.26 -0.92 119.30 116.40 1x4y s MET 86 Ca 0.17 -1.12 -0.23 0.00 -1.03 0.00 0.00 55.69 53.47 1x4y s MET 86 Cb -0.03 0.44 0.05 0.00 -1.53 0.00 0.00 34.83 33.77 1x4y s MET 86 CO 0.08 -0.54 0.56 -1.14 -2.03 0.00 0.00 175.02 171.94 1x4y s GLN 87 N -3.96 0.83 0.36 3.16 0.74 0.75 -0.99 119.66 120.55 1x4y s GLN 87 Ca 0.17 0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.98 1x4y s GLN 87 Cb 0.01 0.39 -0.01 0.00 1.10 0.00 0.00 33.01 34.50 1x4y s GLN 87 CO 0.02 -0.20 0.52 0.00 -0.55 0.00 0.00 175.29 175.08 1x4y s PHE 89 N -2.27 -0.11 0.30 0.00 -0.71 -1.26 -0.30 117.98 113.64 1x4y s PHE 89 Ca 0.45 -0.25 -0.18 0.00 -1.04 0.00 0.00 56.93 55.91 1x4y s PHE 89 Cb -0.10 0.47 0.06 0.00 -1.21 0.00 0.00 43.02 42.24 1x4y s PHE 89 CO 0.33 -1.01 0.88 0.54 -1.34 0.00 0.00 175.22 174.62 1x4y s ASN 90 N -2.89 -0.01 0.41 1.98 4.22 -0.96 -2.08 114.94 115.62 1x4y s ASN 90 Ca 0.11 -0.95 0.25 0.00 -2.14 0.00 0.00 52.86 50.13 1x4y s ASN 90 Cb -0.02 0.71 1.31 0.00 1.28 0.00 0.00 41.25 44.53 1x4y s ASN 90 CO 0.00 -1.41 1.66 -0.08 -2.04 0.00 0.00 177.10 175.23 1x4y h GLU 91 N 2.00 0.17 0.56 3.55 4.57 -1.96 -1.27 114.58 122.20 1x4y h GLU 91 Ca -0.30 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1x4y h GLU 91 Cb 1.24 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1x4y h GLU 91 CO 0.38 0.11 -0.27 0.78 -1.18 0.00 0.00 179.01 178.84 1x4y h GLY 92 N 0.17 -0.78 0.00 1.92 0.00 -1.92 -3.50 103.07 98.97 1x4y h GLY 92 Ca 0.76 0.29 0.00 0.00 0.00 0.00 0.00 47.33 48.38 1x4y h GLY 92 CO -0.43 -0.28 0.00 0.61 0.00 0.00 0.00 176.54 176.43 1x4y n GLY 93 N -0.29 -1.02 3.79 4.60 0.00 -0.48 -4.78 105.19 107.02 1x4y n GLY 93 Ca -0.09 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 1x4y n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4y s GLU 94 N -2.00 4.46 0.45 1.61 2.02 -1.26 -2.27 118.70 121.71 1x4y s GLU 94 Ca 0.00 1.16 -0.05 0.00 0.02 0.00 0.00 54.97 56.10 1x4y s GLU 94 Cb 0.00 -2.84 0.10 0.00 0.10 0.00 0.00 34.13 31.48 1x4y s GLU 94 CO 0.00 0.33 0.61 -1.13 0.02 0.00 0.00 175.26 175.09 1x4y n SER 95 N 0.65 0.35 -4.72 -0.19 3.41 0.59 -4.86 113.62 108.85 1x4y n SER 95 Ca 0.00 -1.40 -0.30 0.00 -0.26 0.00 0.00 58.87 56.90 1x4y n SER 95 Cb 0.50 -0.44 0.13 0.00 -0.26 0.00 0.00 64.21 64.14 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 -4.19 1.56 -0.46 4.33 0.41 -1.02 -4.78 118.70 114.56 1x4y s GLU 96 Ca 0.37 1.12 -0.28 0.00 -0.41 0.00 0.00 54.97 55.77 1x4y s GLU 96 Cb -0.01 -1.82 0.03 0.00 -1.78 0.00 0.00 34.13 30.54 1x4y s GLU 96 CO 0.25 -2.11 1.07 -0.06 -0.49 0.00 0.00 175.26 173.92 1x4y s PHE 97 N -2.84 2.87 1.04 1.61 0.40 -1.26 -4.57 117.98 115.23 1x4y s PHE 97 Ca 0.63 0.67 -0.22 0.00 -0.60 0.00 0.00 56.93 57.41 1x4y s PHE 97 Cb -0.19 -4.24 -0.07 0.00 0.51 0.00 0.00 43.02 39.03 1x4y s PHE 97 CO 0.57 -1.18 -0.77 0.45 0.70 0.00 0.00 175.22 174.99 1x4y n SER 98 N 7.57 -3.09 -4.45 1.36 2.88 -0.16 -4.92 113.62 112.82 1x4y n SER 98 Ca 0.10 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.36 1x4y n SER 98 Cb 0.49 -0.75 0.24 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.37 1.12 -0.30 -3.46 2.20 -1.26 -4.66 114.94 107.19 1x4y s ASN 99 Ca 0.45 1.33 -0.12 0.00 -0.94 0.00 0.00 52.86 53.58 1x4y s ASN 99 Cb -0.03 -2.06 -0.04 0.00 -2.00 0.00 0.00 41.25 37.12 1x4y s ASN 99 CO 0.68 -4.09 0.24 -0.69 -2.94 0.00 0.00 177.10 170.30 1x4y s VAL 100 N -2.59 5.28 -0.21 3.54 1.01 -1.26 -4.51 120.40 121.67 1x4y s VAL 100 Ca 0.68 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 1x4y s VAL 100 Cb -0.22 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1x4y s VAL 100 CO 0.62 0.13 -0.05 -0.04 0.00 0.00 0.00 175.10 175.76 1x4y s MET 101 N 1.80 3.39 -0.59 2.72 1.00 0.47 -4.90 119.30 123.18 1x4y s MET 101 Ca 0.08 -0.63 -0.21 0.00 0.00 0.00 0.00 55.69 54.93 1x4y s MET 101 Cb -0.16 -2.96 0.07 0.00 0.00 0.00 0.00 34.83 31.78 1x4y s MET 101 CO 0.11 -0.13 0.82 0.42 0.00 0.00 0.00 175.02 176.24 1x4y s ILE 102 N 1.29 4.57 -0.27 2.53 1.01 -1.26 -1.08 121.20 127.98 1x4y s ILE 102 Ca 0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1x4y s ILE 102 Cb -0.14 -4.53 0.02 0.00 0.01 0.00 0.00 42.46 37.81 1x4y s ILE 102 CO -0.02 -1.17 0.02 0.00 0.00 0.00 0.00 174.94 173.76 1x4y s GLU 104 N 1.42 4.38 1.26 0.00 2.12 -1.26 -4.24 118.70 122.38 1x4y s GLU 104 Ca 0.01 1.10 -0.21 0.00 0.36 0.00 0.00 54.97 56.24 1x4y s GLU 104 Cb -0.17 -3.53 0.32 0.00 0.26 0.00 0.00 34.13 31.02 1x4y s GLU 104 CO -0.01 -0.20 0.95 0.25 -0.54 0.00 0.00 175.26 175.71 1x4y n THR 105 N 4.38 0.00 -3.22 -1.70 -2.24 -1.24 -4.57 114.28 105.69 1x4y n THR 105 Ca 0.04 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.24 1x4y n THR 105 Cb 0.50 -1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 67.57 1x4y n THR 105 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x4y s LYS 106 N -5.20 3.80 0.25 -0.78 -0.14 -0.96 -4.11 119.74 112.59 1x4y s LYS 106 Ca 0.66 0.34 -0.30 0.00 -1.36 0.00 0.00 55.97 55.31 1x4y s LYS 106 Cb -0.08 -2.55 -0.09 0.00 -1.68 0.00 0.00 37.83 33.43 1x4y s LYS 106 CO 0.52 0.18 1.20 0.00 -0.76 0.00 0.00 175.35 176.50 1x4y s ALA 107 N -2.03 3.45 -0.12 5.17 0.00 -1.26 -0.56 121.76 126.41 1x4y s ALA 107 Ca 0.49 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1x4y s ALA 107 Cb -0.11 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 19.75 1x4y s ALA 107 CO 0.25 -0.38 1.45 2.89 0.00 0.00 0.00 175.76 179.97 1x4y n ARG 108 N 1.78 1.33 -4.67 0.00 1.85 -1.26 -4.79 116.66 110.89 1x4y n ARG 108 Ca 0.02 -0.73 -0.30 0.00 -1.00 0.00 0.00 57.85 55.84 1x4y n ARG 108 Cb 0.44 -1.29 -0.10 0.00 -1.05 0.00 0.00 32.46 30.47 1x4y n ARG 108 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1x4y s SER 109 N 0.65 3.99 0.33 2.89 0.01 -1.26 -5.14 113.70 115.16 1x4y s SER 109 Ca 0.14 -1.48 0.07 0.00 1.31 0.00 0.00 55.95 55.99 1x4y s SER 109 Cb 0.12 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.29 1x4y s SER 109 CO 0.02 -0.62 0.27 -0.83 0.41 0.00 0.00 173.24 172.49 1x4y s GLY 110 N -3.78 1.75 0.00 3.44 0.00 -1.26 -5.00 107.32 102.47 1x4y s GLY 110 Ca 0.23 -1.64 0.15 0.00 0.00 0.00 0.00 44.72 43.45 1x4y s GLY 110 CO 0.12 -1.58 1.43 -1.55 0.00 0.00 0.00 173.10 171.52 1x4y n PRO 111 N -1.33 0.11 -1.23 2.90 -0.04 -1.26 -4.87 135.00 129.28 1x4y n PRO 111 Ca -0.03 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 1x4y n PRO 111 Cb 0.60 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.38 -2.24 -4.52 3.54 7.64 -1.26 -4.67 113.62 110.72 1x4y n SER 112 Ca 0.05 0.84 -0.53 0.00 1.01 0.00 0.00 58.87 60.24 1x4y n SER 112 Cb 0.14 -0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 1x4y n SER 112 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x4y n SER 113 N 2.08 0.46 0.00 6.43 3.41 -1.26 -5.24 113.62 119.50 1x4y n SER 113 Ca 0.12 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 1x4y n SER 113 Cb 0.33 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1x4y n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49