#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0h s SER 2 N 0.00 6.77 -0.60 1.61 0.15 -1.26 -5.01 113.70 115.36 1x0h s SER 2 Ca 0.00 0.94 -0.27 0.00 0.70 0.00 0.00 55.95 57.32 1x0h s SER 2 Cb 0.00 -2.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1x0h s SER 2 CO 0.00 0.27 1.77 -0.55 1.20 0.00 0.00 173.24 175.93 1x0h s SER 3 N -1.31 5.45 0.00 5.45 0.15 -1.26 -4.76 113.70 117.42 1x0h s SER 3 Ca 0.27 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1x0h s SER 3 Cb -0.16 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1x0h s SER 3 CO 0.15 -2.24 0.00 0.61 1.20 0.00 0.00 173.24 172.96 1x0h n GLY 4 N 5.62 -2.04 2.96 9.45 0.00 -1.26 -4.98 105.19 114.94 1x0h n GLY 4 Ca 0.18 -2.10 -0.00 0.00 0.00 0.00 0.00 46.02 44.10 1x0h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x0h s SER 5 N -3.01 -1.15 -0.14 1.61 0.15 -1.26 -5.01 113.70 104.89 1x0h s SER 5 Ca 0.00 -0.83 0.17 0.00 0.70 0.00 0.00 55.95 55.99 1x0h s SER 5 Cb 0.00 1.48 0.43 0.00 -1.71 0.00 0.00 66.02 66.22 1x0h s SER 5 CO 0.00 -0.10 1.19 -1.20 1.20 0.00 0.00 173.24 174.33 1x0h n SER 6 N 3.75 1.64 0.00 5.45 7.64 -1.26 -5.11 113.62 125.73 1x0h n SER 6 Ca 0.12 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1x0h n SER 6 Cb 0.59 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1x0h n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 7 N -0.43 0.39 3.18 0.23 0.00 -1.26 -5.05 105.19 102.24 1x0h n GLY 7 Ca 0.15 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 1x0h n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0h s ILE 8 N -2.65 1.22 0.03 -0.61 1.01 -1.26 -5.15 121.20 113.79 1x0h s ILE 8 Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.50 1x0h s ILE 8 Cb 0.00 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 1x0h s ILE 8 CO 0.00 -0.07 -0.11 -0.44 0.00 0.00 0.00 174.94 174.32 1x0h s SER 9 N -1.44 1.28 0.14 3.58 0.01 -1.26 -4.44 113.70 111.57 1x0h s SER 9 Ca 0.01 -0.42 -0.31 0.00 1.31 0.00 0.00 55.95 56.53 1x0h s SER 9 Cb -0.09 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 1x0h s SER 9 CO 0.02 -0.02 1.54 -0.76 0.41 0.00 0.00 173.24 174.43 1x0h s LEU 10 N -1.09 4.37 -0.42 2.44 1.43 -0.61 -4.82 118.68 119.97 1x0h s LEU 10 Ca -0.01 2.54 -0.07 0.00 -1.03 0.00 0.00 54.13 55.56 1x0h s LEU 10 Cb -0.07 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.65 1x0h s LEU 10 CO 0.01 -0.80 0.24 -0.54 0.23 0.00 0.00 176.35 175.49 1x0h s LYS 11 N 1.32 2.36 -0.07 1.70 -0.14 -1.26 -2.48 119.74 121.17 1x0h s LYS 11 Ca 0.69 -1.64 -0.00 0.00 -1.36 0.00 0.00 55.97 53.67 1x0h s LYS 11 Cb -0.42 -3.71 0.02 0.00 -1.68 0.00 0.00 37.83 32.05 1x0h s LYS 11 CO 0.31 -1.03 -0.04 0.71 -0.76 0.00 0.00 175.35 174.54 1x0h s TYR 12 N 1.30 0.94 0.81 3.18 2.02 -1.21 -5.05 117.35 119.34 1x0h s TYR 12 Ca 0.05 -0.34 -0.12 0.00 -0.37 0.00 0.00 57.07 56.29 1x0h s TYR 12 Cb -0.23 -0.87 0.08 0.00 -0.40 0.00 0.00 41.96 40.53 1x0h s TYR 12 CO -0.01 -0.32 1.11 0.95 -1.57 0.00 0.00 175.55 175.71 1x0h s THR 13 N 1.47 2.83 0.38 -0.71 -4.23 -1.26 -2.32 115.64 111.80 1x0h s THR 13 Ca -0.02 0.27 0.10 0.00 -1.18 0.00 0.00 61.69 60.86 1x0h s THR 13 Cb -0.13 -3.06 0.15 0.00 1.34 0.00 0.00 72.50 70.79 1x0h s THR 13 CO -0.03 -0.35 1.90 0.00 -0.54 0.00 0.00 174.62 175.59 1x0h h ALA 14 N -1.12 1.48 -0.09 3.99 0.00 -1.25 -2.28 119.26 120.00 1x0h h ALA 14 Ca -0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 1x0h h ALA 14 Cb 1.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1x0h h ALA 14 CO 0.61 0.37 -0.08 0.00 0.00 0.00 0.00 179.25 180.15 1x0h h ALA 15 N 1.64 1.70 0.01 0.00 0.00 -1.83 -0.39 119.26 120.38 1x0h h ALA 15 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1x0h h ALA 15 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1x0h h ALA 15 CO 0.03 0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 1x0h h ARG 16 N 0.13 -0.01 -0.12 0.00 2.47 -1.77 -3.14 114.38 111.94 1x0h h ARG 16 Ca 0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1x0h h ARG 16 Cb 0.23 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1x0h h ARG 16 CO 0.01 0.84 0.07 -0.07 0.56 0.00 0.00 179.97 181.39 1x0h h LEU 17 N -0.91 0.14 0.33 3.04 3.38 -1.36 -1.70 115.31 118.23 1x0h h LEU 17 Ca -0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1x0h h LEU 17 Cb 0.86 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1x0h h LEU 17 CO 0.00 0.11 -0.16 -0.74 0.09 0.00 0.00 178.44 177.75 1x0h h HIS 18 N 0.17 -0.41 -0.34 1.13 2.76 -1.14 -2.00 115.15 115.32 1x0h h HIS 18 Ca 0.04 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1x0h h HIS 18 Cb -0.00 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1x0h h HIS 18 CO 0.00 -0.14 0.11 0.93 -1.30 0.00 0.00 177.93 177.53 1x0h h GLU 19 N -0.63 0.48 -0.07 5.26 4.39 -1.44 -1.80 114.58 120.77 1x0h h GLU 19 Ca -0.04 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1x0h h GLU 19 Cb 0.45 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1x0h h GLU 19 CO 0.07 0.42 -0.23 0.87 -1.16 0.00 0.00 179.01 178.99 1x0h h LYS 20 N 0.47 0.12 0.00 2.33 1.57 -1.16 -3.47 116.57 116.44 1x0h h LYS 20 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1x0h h LYS 20 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1x0h h LYS 20 CO -0.01 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.63 1x0h n GLY 21 N -0.75 1.66 0.17 3.86 0.00 -0.68 -5.00 105.19 104.46 1x0h n GLY 21 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1x0h n GLY 21 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x0h h VAL 22 N 0.00 0.00 -2.89 1.61 2.07 -1.65 -3.41 116.25 111.97 1x0h h VAL 22 Ca 0.00 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.97 1x0h h VAL 22 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1x0h h VAL 22 CO 0.00 0.00 0.86 -0.22 0.02 0.00 0.00 177.57 178.23 1x0h s LEU 23 N -6.26 4.29 -0.00 2.57 2.96 -0.86 -0.82 118.68 120.57 1x0h s LEU 23 Ca -0.06 2.03 -0.00 0.00 -0.22 0.00 0.00 54.13 55.88 1x0h s LEU 23 Cb 0.01 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.15 1x0h s LEU 23 CO 0.20 -0.74 -0.00 -0.07 -1.32 0.00 0.00 176.35 174.42 1x0h h LEU 24 N 8.78 0.00 0.00 -0.68 3.38 -1.68 -3.37 115.31 121.74 1x0h h LEU 24 Ca -0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1x0h h LEU 24 Cb 1.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.92 1x0h h LEU 24 CO 0.92 0.00 0.28 -0.62 0.09 0.00 0.00 178.44 179.11 1x0h n GLU 25 N -2.15 1.14 -3.89 1.13 1.02 -1.20 -5.02 120.64 111.66 1x0h n GLU 25 Ca -0.00 -2.23 -0.17 0.00 -0.02 0.00 0.00 57.16 54.73 1x0h n GLU 25 Cb 0.00 2.79 -0.16 0.00 -0.02 0.00 0.00 31.44 34.05 1x0h n GLU 25 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1x0h s ILE 26 N -2.09 0.15 -1.29 -3.67 1.01 -1.26 -0.76 121.20 113.29 1x0h s ILE 26 Ca 0.16 0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 1x0h s ILE 26 Cb -0.05 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1x0h s ILE 26 CO 0.12 0.15 2.83 -0.62 0.00 0.00 0.00 174.94 177.42 1x0h n GLU 27 N 4.29 3.76 0.06 2.79 -0.58 -0.98 -3.98 120.64 126.00 1x0h n GLU 27 Ca -0.24 -2.51 0.00 0.00 -0.42 0.00 0.00 57.16 53.99 1x0h n GLU 27 Cb 0.50 -2.62 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1x0h n ASP 28 N 2.67 -1.11 -4.95 1.62 2.03 -1.26 -4.88 116.55 110.68 1x0h n ASP 28 Ca 0.68 0.54 -0.23 0.00 0.52 0.00 0.00 54.79 56.30 1x0h n ASP 28 Cb 0.32 1.35 -0.01 0.00 -0.72 0.00 0.00 41.12 42.06 1x0h n ASP 28 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1x0h s LEU 29 N -6.01 4.05 0.55 -2.67 1.43 -1.26 -5.11 118.68 109.67 1x0h s LEU 29 Ca 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1x0h s LEU 29 Cb 0.00 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 43.08 1x0h s LEU 29 CO 0.00 -0.29 0.79 -1.10 0.23 0.00 0.00 176.35 175.98 1x0h s GLN 30 N -4.25 2.58 0.49 1.70 -0.21 -1.26 -4.57 119.66 114.13 1x0h s GLN 30 Ca 0.40 -0.67 0.16 0.00 0.02 0.00 0.00 55.36 55.26 1x0h s GLN 30 Cb -0.09 -2.46 1.18 0.00 1.00 0.00 0.00 33.01 32.64 1x0h s GLN 30 CO 0.34 -0.71 2.08 0.28 -2.12 0.00 0.00 175.29 175.16 1x0h h VAL 31 N 0.04 0.96 0.00 1.09 2.07 -1.99 -0.59 116.25 117.82 1x0h h VAL 31 Ca -0.43 -0.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 1x0h h VAL 31 Cb 1.29 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1x0h h VAL 31 CO 0.54 0.03 -0.69 -0.55 0.02 0.00 0.00 177.57 176.92 1x0h h ASN 32 N 0.16 0.00 1.00 0.57 -1.07 -2.04 -2.97 115.58 111.23 1x0h h ASN 32 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.48 1x0h h ASN 32 Cb 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 1x0h h ASN 32 CO -0.02 0.69 0.00 0.00 0.07 0.00 0.00 177.43 178.17 1x0h n GLN 33 N -3.63 0.08 -0.08 4.14 6.02 -0.26 -3.51 117.38 120.15 1x0h n GLN 33 Ca -0.01 0.14 0.22 0.00 -0.01 0.00 0.00 57.00 57.34 1x0h n GLN 33 Cb 0.70 -1.61 0.67 0.00 1.02 0.00 0.00 30.24 31.02 1x0h n GLN 33 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1x0h h PHE 34 N 0.00 0.08 -0.10 1.08 -1.00 -1.31 0.18 116.94 115.87 1x0h h PHE 34 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1x0h h PHE 34 Cb 0.50 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1x0h h PHE 34 CO 0.00 0.03 -0.01 0.87 -1.61 0.00 0.00 178.31 177.59 1x0h h LYS 35 N 0.07 0.13 -0.07 1.51 1.57 -1.79 -2.68 116.57 115.31 1x0h h LYS 35 Ca 0.32 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1x0h h LYS 35 Cb 1.19 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1x0h h LYS 35 CO -0.03 0.16 -0.11 -0.91 -0.57 0.00 0.00 179.45 177.99 1x0h h ASN 36 N 0.13 0.22 -3.46 0.86 2.35 -0.90 -3.45 115.58 111.33 1x0h h ASN 36 Ca 0.03 -0.54 -0.53 0.00 -0.55 0.00 0.00 56.30 54.71 1x0h h ASN 36 Cb 0.12 -0.06 0.08 0.00 0.05 0.00 0.00 38.32 38.50 1x0h h ASN 36 CO 0.00 0.72 0.81 -0.69 -1.65 0.00 0.00 177.43 176.63 1x0h s VAL 37 N -4.04 2.30 -0.02 2.81 1.01 -1.03 -4.98 120.40 116.45 1x0h s VAL 37 Ca -0.15 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1x0h s VAL 37 Cb 0.03 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1x0h s VAL 37 CO 0.72 0.05 -0.07 -0.51 0.00 0.00 0.00 175.10 175.29 1x0h s ILE 38 N -0.23 0.64 -0.26 2.22 1.10 -1.26 -2.23 121.20 121.17 1x0h s ILE 38 Ca 0.60 -0.29 0.03 0.00 -0.51 0.00 0.00 60.65 60.48 1x0h s ILE 38 Cb -0.45 -0.57 0.06 0.00 0.15 0.00 0.00 42.46 41.65 1x0h s ILE 38 CO 0.49 0.20 -0.11 -0.36 -2.11 0.00 0.00 174.94 173.06 1x0h s PHE 39 N 0.19 3.23 -0.37 3.50 0.08 -0.98 -4.40 117.98 119.24 1x0h s PHE 39 Ca -0.02 -2.30 -0.13 0.00 0.12 0.00 0.00 56.93 54.59 1x0h s PHE 39 Cb -0.07 -1.92 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1x0h s PHE 39 CO 0.00 -0.88 0.26 -1.21 -0.10 0.00 0.00 175.22 173.29 1x0h s GLU 40 N 1.11 3.27 -0.29 0.44 2.02 -0.06 -3.35 118.70 121.84 1x0h s GLU 40 Ca -0.09 -0.80 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 1x0h s GLU 40 Cb -0.20 -3.86 -0.02 0.00 0.10 0.00 0.00 34.13 30.15 1x0h s GLU 40 CO -0.05 -0.56 0.15 0.42 0.02 0.00 0.00 175.26 175.24 1x0h s ILE 41 N 1.70 4.74 -0.17 -1.63 1.09 -1.04 -1.51 121.20 124.38 1x0h s ILE 41 Ca 0.05 -0.24 -0.13 0.00 -1.10 0.00 0.00 60.65 59.24 1x0h s ILE 41 Cb -0.18 -3.34 -0.05 0.00 -1.06 0.00 0.00 42.46 37.83 1x0h s ILE 41 CO 0.10 0.15 0.25 -0.44 -0.10 0.00 0.00 174.94 174.90 1x0h s SER 42 N 1.65 6.37 -0.13 3.58 0.01 -0.36 -1.57 113.70 123.25 1x0h s SER 42 Ca 0.06 0.43 -0.29 0.00 1.31 0.00 0.00 55.95 57.45 1x0h s SER 42 Cb -0.16 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1x0h s SER 42 CO 0.07 0.12 1.32 -2.16 0.41 0.00 0.00 173.24 173.00 1x0h s PRO 43 N 0.45 4.24 0.47 12.44 0.04 -1.26 -2.38 135.00 148.99 1x0h s PRO 43 Ca 0.14 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1x0h s PRO 43 Cb -0.12 -3.77 -0.06 0.00 0.04 0.00 0.00 34.50 30.59 1x0h s PRO 43 CO 0.02 -0.70 0.84 0.95 0.04 0.00 0.00 177.00 178.15 1x0h s THR 44 N 3.43 4.77 0.48 1.26 -4.23 -1.26 -4.96 115.64 115.12 1x0h s THR 44 Ca 0.58 0.65 0.13 0.00 -1.18 0.00 0.00 61.69 61.87 1x0h s THR 44 Cb -0.24 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 70.09 1x0h s THR 44 CO 0.18 -0.71 2.12 -0.08 -0.54 0.00 0.00 174.62 175.58 1x0h h GLU 45 N 0.74 0.18 -6.23 3.99 4.81 -1.95 -3.42 114.58 112.70 1x0h h GLU 45 Ca -0.47 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.18 1x0h h GLU 45 Cb 1.19 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 1x0h h GLU 45 CO 0.63 0.12 -0.13 -1.21 -0.73 0.00 0.00 179.01 177.68 1x0h s GLU 46 N -5.21 3.93 0.35 1.92 2.02 -1.26 -5.07 118.70 115.38 1x0h s GLU 46 Ca -0.06 0.42 -0.24 0.00 0.02 0.00 0.00 54.97 55.11 1x0h s GLU 46 Cb 0.17 -3.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.30 1x0h s GLU 46 CO 0.69 0.53 0.93 0.54 0.02 0.00 0.00 175.26 177.97 1x0h s VAL 47 N -1.38 4.31 0.00 2.63 0.11 -1.26 -3.83 120.40 120.98 1x0h s VAL 47 Ca 0.34 1.65 0.00 0.00 -2.93 0.00 0.00 61.98 61.04 1x0h s VAL 47 Cb -0.15 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1x0h s VAL 47 CO 0.18 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 1x0h n GLY 48 N 0.13 2.78 3.91 6.54 0.00 -1.26 -5.02 105.19 112.27 1x0h n GLY 48 Ca 0.03 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 1x0h n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x0h s ASP 49 N 0.19 6.20 0.27 1.61 -1.08 -1.25 -3.61 116.67 119.00 1x0h s ASP 49 Ca 0.00 0.88 -0.08 0.00 -0.52 0.00 0.00 52.55 52.83 1x0h s ASP 49 Cb 0.00 -2.18 -0.01 0.00 -1.46 0.00 0.00 42.92 39.27 1x0h s ASP 49 CO 0.00 -0.61 0.44 -0.36 0.52 0.00 0.00 175.17 175.16 1x0h s PHE 50 N -2.74 0.66 -0.31 -5.34 0.08 -1.13 -4.40 117.98 104.79 1x0h s PHE 50 Ca 0.48 -0.98 0.01 0.00 0.12 0.00 0.00 56.93 56.55 1x0h s PHE 50 Cb -0.10 0.03 0.10 0.00 -0.57 0.00 0.00 43.02 42.48 1x0h s PHE 50 CO 0.44 -1.01 0.08 -2.00 -0.10 0.00 0.00 175.22 172.64 1x0h s GLU 51 N -3.71 0.94 -0.26 0.44 2.12 -1.00 -2.38 118.70 114.86 1x0h s GLU 51 Ca 0.27 -1.28 -0.19 0.00 0.36 0.00 0.00 54.97 54.12 1x0h s GLU 51 Cb 0.00 -2.34 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 1x0h s GLU 51 CO 0.13 -0.96 0.57 0.08 -0.54 0.00 0.00 175.26 174.54 1x0h s VAL 52 N 1.42 5.03 -0.03 3.70 1.01 0.19 -1.22 120.40 130.50 1x0h s VAL 52 Ca 0.10 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.06 1x0h s VAL 52 Cb -0.18 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1x0h s VAL 52 CO -0.20 0.04 -0.04 -0.75 0.00 0.00 0.00 175.10 174.15 1x0h s LYS 53 N 2.41 0.65 -0.04 2.72 2.20 -0.57 -3.19 119.74 123.93 1x0h s LYS 53 Ca 0.23 -0.12 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 1x0h s LYS 53 Cb -0.16 -0.67 0.03 0.00 -1.51 0.00 0.00 37.83 35.52 1x0h s LYS 53 CO 0.09 -0.02 0.03 0.00 -0.36 0.00 0.00 175.35 175.10 1x0h s ALA 54 N 0.59 0.32 -0.35 3.13 0.00 -1.26 -0.88 121.76 123.30 1x0h s ALA 54 Ca -0.07 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.75 1x0h s ALA 54 Cb -0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1x0h s ALA 54 CO -0.00 -0.36 1.96 -1.59 0.00 0.00 0.00 175.76 175.76 1x0h s LYS 55 N 1.80 3.11 0.18 0.00 -2.85 -1.26 -4.49 119.74 116.23 1x0h s LYS 55 Ca 0.01 1.48 0.00 0.00 -1.00 0.00 0.00 55.97 56.46 1x0h s LYS 55 Cb -0.12 -4.29 0.00 0.00 -2.06 0.00 0.00 37.83 31.35 1x0h s LYS 55 CO -0.03 -2.13 0.00 1.19 0.10 0.00 0.00 175.35 174.48 1x0h n PHE 56 N 11.35 -2.68 -0.01 1.78 3.72 -1.26 -4.90 117.46 125.47 1x0h n PHE 56 Ca 0.25 0.55 -0.01 0.00 -0.05 0.00 0.00 57.45 58.19 1x0h n PHE 56 Cb 0.48 1.55 -0.01 0.00 -0.94 0.00 0.00 39.48 40.56 1x0h n PHE 56 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1x0h n MET 57 N -2.92 0.03 0.00 -1.08 1.56 -1.26 -5.15 117.12 108.29 1x0h n MET 57 Ca 0.00 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1x0h n MET 57 Cb 0.00 -0.96 0.00 0.00 2.15 0.00 0.00 33.22 34.41 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1x0h n GLY 58 N 3.37 1.97 3.42 -5.12 0.00 -1.26 -5.12 105.19 102.45 1x0h n GLY 58 Ca -0.02 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 1x0h n GLY 58 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x0h s VAL 59 N -2.40 0.52 -0.66 1.61 -7.23 -1.26 -5.11 120.40 105.87 1x0h s VAL 59 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1x0h s VAL 59 Cb 0.00 -2.47 0.16 0.00 0.56 0.00 0.00 36.38 34.63 1x0h s VAL 59 CO 0.00 0.00 0.44 -1.10 -0.31 0.00 0.00 175.10 174.13 1x0h s GLN 60 N -3.76 2.39 -1.73 4.82 -0.21 -1.26 -4.75 119.66 115.16 1x0h s GLN 60 Ca 0.31 -3.05 -0.01 0.00 0.02 0.00 0.00 55.36 52.63 1x0h s GLN 60 Cb 0.04 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.59 1x0h s GLN 60 CO 0.17 -1.22 0.12 -1.33 -2.12 0.00 0.00 175.29 170.91 1x0h n MET 61 N 2.48 -2.29 -3.60 2.91 2.81 -1.26 -4.97 117.12 113.21 1x0h n MET 61 Ca 0.14 0.99 -0.28 0.00 -1.81 0.00 0.00 57.70 56.74 1x0h n MET 61 Cb 0.34 -5.68 -0.16 0.00 -0.71 0.00 0.00 33.22 27.01 1x0h n MET 61 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1x0h s GLU 62 N -5.16 0.19 0.01 0.03 2.02 -1.26 -5.14 118.70 109.38 1x0h s GLU 62 Ca 0.06 -0.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 1x0h s GLU 62 Cb -0.03 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1x0h s GLU 62 CO 0.07 -0.83 0.11 0.95 0.02 0.00 0.00 175.26 175.58 1x0h s THR 63 N 2.08 4.89 -0.15 3.63 -4.23 -1.26 -4.78 115.64 115.82 1x0h s THR 63 Ca 0.05 -0.39 -0.29 0.00 -1.18 0.00 0.00 61.69 59.88 1x0h s THR 63 Cb -0.16 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.39 1x0h s THR 63 CO -0.21 0.31 1.42 0.12 -0.54 0.00 0.00 174.62 175.72 1x0h s PHE 64 N -1.26 2.50 -0.25 3.99 5.36 -1.19 -4.92 117.98 122.20 1x0h s PHE 64 Ca 0.25 0.71 -0.09 0.00 -0.96 0.00 0.00 56.93 56.84 1x0h s PHE 64 Cb -0.12 -3.71 -0.04 0.00 -0.34 0.00 0.00 43.02 38.81 1x0h s PHE 64 CO 0.16 -2.47 0.12 -1.64 -1.46 0.00 0.00 175.22 169.93 1x0h s MET 65 N 3.85 3.82 -0.44 10.12 -1.94 -1.26 0.56 119.30 134.01 1x0h s MET 65 Ca 0.62 -0.39 -0.25 0.00 -1.71 0.00 0.00 55.69 53.96 1x0h s MET 65 Cb -0.25 -3.44 0.02 0.00 2.01 0.00 0.00 34.83 33.17 1x0h s MET 65 CO 0.21 -0.12 0.91 -1.17 -0.01 0.00 0.00 175.02 174.85 1x0h s LEU 66 N 1.48 4.02 0.32 -0.03 2.96 -1.00 -4.90 118.68 121.53 1x0h s LEU 66 Ca 0.06 0.19 -0.26 0.00 -0.22 0.00 0.00 54.13 53.90 1x0h s LEU 66 Cb -0.15 -3.18 -0.10 0.00 0.50 0.00 0.00 46.19 43.26 1x0h s LEU 66 CO 0.06 -0.99 0.96 -2.28 -1.32 0.00 0.00 176.35 172.77 1x0h s HIS 67 N 3.65 3.70 0.15 5.38 2.46 -1.26 -2.82 115.29 126.54 1x0h s HIS 67 Ca 0.36 1.79 0.05 0.00 0.47 0.00 0.00 55.06 57.73 1x0h s HIS 67 Cb -0.11 -2.95 -0.06 0.00 -0.13 0.00 0.00 32.58 29.33 1x0h s HIS 67 CO 0.24 0.16 1.35 -0.92 -2.47 0.00 0.00 174.74 173.10 1x0h h TYR 68 N 3.26 0.16 -0.38 3.88 3.20 -1.96 -3.20 116.97 121.92 1x0h h TYR 68 Ca -0.47 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.28 1x0h h TYR 68 Cb 1.19 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 1x0h h TYR 68 CO 0.61 0.97 0.13 1.96 -1.64 0.00 0.00 178.16 180.18 1x0h h GLN 69 N 0.05 0.59 -0.81 1.82 1.08 -1.93 -2.30 115.11 113.61 1x0h h GLN 69 Ca -0.03 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1x0h h GLN 69 Cb 1.60 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 28.90 1x0h h GLN 69 CO 0.13 0.59 0.48 -0.44 -0.95 0.00 0.00 178.83 178.65 1x0h h ASP 70 N 0.47 0.97 -0.31 1.46 5.19 -1.98 -1.81 116.42 120.42 1x0h h ASP 70 Ca 0.12 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1x0h h ASP 70 Cb 0.24 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1x0h h ASP 70 CO -0.01 0.75 0.13 -0.07 -3.12 0.00 0.00 179.24 176.93 1x0h h LEU 71 N 1.12 0.41 -1.53 1.55 3.38 -1.49 -2.56 115.31 116.19 1x0h h LEU 71 Ca 0.29 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1x0h h LEU 71 Cb -0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1x0h h LEU 71 CO -0.05 0.45 -0.09 -0.07 0.09 0.00 0.00 178.44 178.76 1x0h h LEU 72 N 0.35 0.17 -1.50 1.67 3.38 -1.06 -2.09 115.31 116.23 1x0h h LEU 72 Ca 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1x0h h LEU 72 Cb 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1x0h h LEU 72 CO -0.01 0.30 0.06 -0.61 0.09 0.00 0.00 178.44 178.26 1x0h h GLN 73 N 0.18 0.39 -0.00 1.13 4.15 -0.92 -1.99 115.11 118.05 1x0h h GLN 73 Ca 0.04 -0.05 -0.21 0.00 0.77 0.00 0.00 58.65 59.20 1x0h h GLN 73 Cb 0.29 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1x0h h GLN 73 CO 0.02 0.37 -0.90 -0.07 -1.93 0.00 0.00 178.83 176.32 1x0h h LEU 74 N 0.38 0.38 -1.09 -2.39 3.38 -1.23 -2.67 115.31 112.07 1x0h h LEU 74 Ca 0.09 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1x0h h LEU 74 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1x0h h LEU 74 CO -0.00 1.10 -0.39 -0.61 0.09 0.00 0.00 178.44 178.63 1x0h h GLN 75 N 0.16 0.12 0.00 1.13 4.15 -1.19 0.78 115.11 120.27 1x0h h GLN 75 Ca -0.06 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.23 1x0h h GLN 75 Cb 1.53 -0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.22 1x0h h GLN 75 CO 0.15 0.50 -0.30 -0.92 -1.93 0.00 0.00 178.83 176.32 1x0h h TYR 76 N 0.11 0.30 -0.52 3.99 3.20 -1.37 -3.32 116.97 119.36 1x0h h TYR 76 Ca 0.01 -0.16 -0.12 0.00 3.14 0.00 0.00 58.73 61.60 1x0h h TYR 76 Cb 0.74 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1x0h h TYR 76 CO 0.01 0.98 -0.14 0.93 -1.64 0.00 0.00 178.16 178.29 1x0h h GLU 77 N -0.47 1.01 0.00 1.82 5.08 -1.44 -3.47 114.58 117.11 1x0h h GLU 77 Ca -0.04 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1x0h h GLU 77 Cb 1.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1x0h h GLU 77 CO 0.06 1.08 0.00 0.41 -1.00 0.00 0.00 179.01 179.56 1x0h n GLY 78 N -0.21 1.58 3.54 -3.84 0.00 0.16 -5.06 105.19 101.37 1x0h n GLY 78 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1x0h n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x0h n VAL 79 N 0.00 -0.03 0.17 1.61 0.31 -0.57 -4.73 118.33 115.10 1x0h n VAL 79 Ca 0.00 -0.55 0.07 0.00 -0.01 0.00 0.00 64.34 63.85 1x0h n VAL 79 Cb 0.00 -1.84 0.09 0.00 -0.91 0.00 0.00 33.84 31.18 1x0h n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x0h h ALA 80 N 14.60 0.82 -3.31 3.52 0.00 -1.96 -3.39 119.26 129.53 1x0h h ALA 80 Ca -0.07 -0.23 -0.67 0.00 0.00 0.00 0.00 54.91 53.93 1x0h h ALA 80 Cb 1.13 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1x0h h ALA 80 CO 1.17 0.30 -0.62 0.08 0.00 0.00 0.00 179.25 180.19 1x0h s VAL 81 N -3.10 4.32 -0.19 0.00 1.01 -1.26 0.85 120.40 122.03 1x0h s VAL 81 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1x0h s VAL 81 Cb 0.06 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.63 1x0h s VAL 81 CO 0.72 0.59 -0.17 -0.32 0.00 0.00 0.00 175.10 175.92 1x0h s MET 82 N -0.76 3.03 -0.71 2.72 1.75 -0.17 -4.91 119.30 120.24 1x0h s MET 82 Ca 0.12 -0.81 -0.27 0.00 -1.25 0.00 0.00 55.69 53.48 1x0h s MET 82 Cb -0.12 -2.66 0.03 0.00 2.84 0.00 0.00 34.83 34.92 1x0h s MET 82 CO 0.02 -0.22 1.32 0.21 -0.65 0.00 0.00 175.02 175.70 1x0h s LYS 83 N 1.32 3.18 -0.08 4.11 2.20 -1.26 -2.19 119.74 127.01 1x0h s LYS 83 Ca 0.05 -0.12 -0.11 0.00 -0.36 0.00 0.00 55.97 55.43 1x0h s LYS 83 Cb -0.13 -4.18 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 1x0h s LYS 83 CO -0.11 -2.15 0.27 -0.51 -0.36 0.00 0.00 175.35 172.49 1x0h s LEU 84 N 5.92 4.40 -2.11 5.43 1.43 0.49 -4.16 118.68 130.09 1x0h s LEU 84 Ca 0.38 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1x0h s LEU 84 Cb -0.08 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1x0h s LEU 84 CO 0.17 0.32 0.00 0.49 0.23 0.00 0.00 176.35 177.56 1x0h n PHE 85 N 2.21 -0.16 -1.83 0.29 3.01 -1.26 -1.64 117.46 118.07 1x0h n PHE 85 Ca -0.16 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.14 1x0h n PHE 85 Cb 0.53 -3.49 -0.05 0.00 -0.01 0.00 0.00 39.48 36.47 1x0h n PHE 85 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1x0h n ASP 86 N -1.41 -4.44 0.00 4.37 8.00 -1.26 -4.62 116.55 117.19 1x0h n ASP 86 Ca -0.21 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1x0h n ASP 86 Cb 0.67 -3.91 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x0h n ARG 87 N -2.38 0.00 -1.49 -1.24 5.12 -0.65 -4.99 116.66 111.02 1x0h n ARG 87 Ca -0.17 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.41 1x0h n ARG 87 Cb 0.57 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.96 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x0h s ALA 88 N -1.75 2.18 -0.03 7.54 0.00 -0.67 -2.32 121.76 126.71 1x0h s ALA 88 Ca 0.00 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1x0h s ALA 88 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.69 1x0h s ALA 88 CO 0.00 -1.77 -0.05 0.15 0.00 0.00 0.00 175.76 174.09 1x0h s LYS 89 N -3.93 0.68 0.12 0.00 1.02 0.07 -0.38 119.74 117.32 1x0h s LYS 89 Ca 0.73 -0.16 0.08 0.00 0.02 0.00 0.00 55.97 56.64 1x0h s LYS 89 Cb -0.28 -0.68 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1x0h s LYS 89 CO 0.44 0.02 -0.19 0.08 -0.92 0.00 0.00 175.35 174.78 1x0h s VAL 90 N 0.43 1.69 -0.23 3.17 1.01 -0.93 -2.22 120.40 123.32 1x0h s VAL 90 Ca -0.05 -1.64 -0.26 0.00 0.00 0.00 0.00 61.98 60.02 1x0h s VAL 90 Cb -0.09 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1x0h s VAL 90 CO -0.00 -0.16 0.91 0.21 0.00 0.00 0.00 175.10 176.06 1x0h s ASN 91 N -2.13 6.95 0.36 3.32 2.47 0.00 -1.00 114.94 124.91 1x0h s ASN 91 Ca 0.09 1.18 0.16 0.00 0.42 0.00 0.00 52.86 54.71 1x0h s ASN 91 Cb -0.09 -2.48 0.67 0.00 -1.45 0.00 0.00 41.25 37.90 1x0h s ASN 91 CO 0.05 -0.56 1.75 0.58 -3.72 0.00 0.00 177.10 175.20 1x0h h VAL 92 N 5.41 1.08 0.00 -5.21 2.07 0.15 0.92 116.25 120.66 1x0h h VAL 92 Ca -0.22 -1.54 -0.11 0.00 0.82 0.00 0.00 66.70 65.65 1x0h h VAL 92 Cb 1.09 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1x0h h VAL 92 CO 0.91 0.41 -0.50 0.78 0.02 0.00 0.00 177.57 179.18 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 2.35 -1.92 -3.06 115.58 113.52 1x0h h ASN 93 Ca -0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.47 1x0h h ASN 93 Cb 0.85 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.17 1x0h h ASN 93 CO 0.05 0.50 -2.10 0.18 -1.65 0.00 0.00 177.43 174.42 1x0h n LEU 94 N -3.93 0.00 -0.26 1.61 4.77 -1.09 -4.03 117.00 114.07 1x0h n LEU 94 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.95 1x0h n LEU 94 Cb 0.52 0.37 0.10 0.00 -2.33 0.00 0.00 43.42 42.08 1x0h n LEU 94 CO 0.40 0.37 1.14 0.25 -1.33 0.00 0.00 177.39 178.22 1x0h h LEU 95 N 0.00 0.69 -0.29 2.23 5.85 0.82 -1.07 115.31 123.55 1x0h h LEU 95 Ca -0.41 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.14 1x0h h LEU 95 Cb 1.91 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 1x0h h LEU 95 CO 0.02 0.46 -0.87 0.40 -0.34 0.00 0.00 178.44 178.11 1x0h h ILE 96 N 0.83 1.55 -0.37 4.05 2.04 -1.76 -3.22 117.51 120.63 1x0h h ILE 96 Ca 0.31 -2.76 -0.02 0.00 1.00 0.00 0.00 64.86 63.39 1x0h h ILE 96 Cb 0.11 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1x0h h ILE 96 CO -0.15 0.80 0.16 0.15 0.00 0.00 0.00 178.15 179.11 1x0h h PHE 97 N 0.05 0.55 -0.75 1.37 3.04 -1.52 0.30 116.94 119.97 1x0h h PHE 97 Ca -0.03 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.91 1x0h h PHE 97 Cb 1.51 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.81 1x0h h PHE 97 CO 0.02 0.48 0.48 1.25 -2.02 0.00 0.00 178.31 178.52 1x0h h LEU 98 N 0.45 0.80 -0.42 0.59 5.85 -1.28 -2.08 115.31 119.22 1x0h h LEU 98 Ca 0.12 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1x0h h LEU 98 Cb 0.16 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1x0h h LEU 98 CO -0.01 0.56 -0.67 -0.07 -0.34 0.00 0.00 178.44 177.91 1x0h h LEU 99 N 0.95 0.00 -2.43 2.25 3.38 -1.51 -0.21 115.31 117.73 1x0h h LEU 99 Ca 0.30 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1x0h h LEU 99 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1x0h h LEU 99 CO -0.10 0.67 0.06 -1.13 0.09 0.00 0.00 178.44 178.03 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 0.32 0.45 115.58 115.19 1x0h h ASN 100 Ca -0.01 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.12 1x0h h ASN 100 Cb 1.32 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.90 1x0h h ASN 100 CO 0.09 0.00 -1.30 1.17 -0.37 0.00 0.00 177.43 177.02 1x0h n LYS 101 N -3.77 1.67 0.05 6.67 3.00 -1.16 -4.25 118.16 120.37 1x0h n LYS 101 Ca -0.02 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.31 58.24 1x0h n LYS 101 Cb 0.15 -1.13 -0.01 0.00 0.00 0.00 0.00 35.03 34.04 1x0h n LYS 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1x0h h LYS 102 N 0.00 -0.14 0.03 1.64 1.79 -0.81 -3.42 116.57 115.66 1x0h h LYS 102 Ca -0.07 0.01 -0.35 0.00 -2.18 0.00 0.00 60.65 58.06 1x0h h LYS 102 Cb 0.78 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.42 1x0h h LYS 102 CO 0.00 -0.09 -1.99 1.19 -1.08 0.00 0.00 179.45 177.49 1x0h n PHE 103 N -2.80 0.62 -1.50 -1.35 3.72 -0.89 -4.87 117.46 110.40 1x0h n PHE 103 Ca -0.02 0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 57.16 1x0h n PHE 103 Cb 0.06 -1.07 -0.07 0.00 -0.94 0.00 0.00 39.48 37.45 1x0h n PHE 103 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1x0h n TYR 104 N -3.97 1.35 -0.02 1.38 4.19 0.10 -4.72 117.16 115.47 1x0h n TYR 104 Ca -0.41 0.22 -0.01 0.00 3.31 0.00 0.00 57.90 61.01 1x0h n TYR 104 Cb 0.87 -2.55 -0.04 0.00 0.49 0.00 0.00 39.34 38.12 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1x0h n GLY 105 N 6.31 -0.23 3.68 2.98 0.00 -1.26 -4.37 105.19 112.30 1x0h n GLY 105 Ca 0.44 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1x0h n GLY 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x0h n LYS 106 N -2.09 0.09 -3.69 1.61 4.76 -1.26 -5.03 118.16 112.55 1x0h n LYS 106 Ca -0.07 0.11 -0.26 0.00 -2.87 0.00 0.00 58.31 55.22 1x0h n LYS 106 Cb 0.56 -2.40 -0.17 0.00 -1.84 0.00 0.00 35.03 31.18 1x0h n LYS 106 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1x0h s SER 107 N -2.17 2.50 0.00 4.39 1.04 -1.26 -5.03 113.70 113.16 1x0h s SER 107 Ca 0.72 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1x0h s SER 107 Cb -0.28 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.40 1x0h s SER 107 CO 0.52 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1x0h n GLY 108 N 5.15 2.01 3.77 7.32 0.00 -1.26 -5.12 105.19 117.05 1x0h n GLY 108 Ca -0.08 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1x0h n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x0h s PRO 109 N -0.24 4.38 -0.21 1.61 0.04 -1.26 -4.43 135.00 134.88 1x0h s PRO 109 Ca 0.00 2.17 -0.08 0.00 0.04 0.00 0.00 61.00 63.13 1x0h s PRO 109 Cb 0.00 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.48 1x0h s PRO 109 CO 0.00 -0.17 0.16 0.43 0.04 0.00 0.00 177.00 177.47 1x0h n SER 110 N 1.03 -2.66 -3.48 6.66 7.64 -1.26 -5.08 113.62 116.46 1x0h n SER 110 Ca 0.01 1.29 0.01 0.00 1.01 0.00 0.00 58.87 61.18 1x0h n SER 110 Cb 0.42 -5.02 -0.05 0.00 -1.01 0.00 0.00 64.21 58.55 1x0h n SER 110 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x0h s SER 111 N -0.91 -0.37 0.00 6.43 1.04 -1.26 -5.25 113.70 113.37 1x0h s SER 111 Ca -0.19 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1x0h s SER 111 Cb 0.01 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.44 1x0h s SER 111 CO 0.75 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.49