#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 6.73 -0.11 1.61 1.04 -1.26 -4.99 113.70 116.72 1x0h s SER 2 Ca 0.00 0.87 0.09 0.00 0.48 0.00 0.00 55.95 57.39 1x0h s SER 2 Cb 0.00 -2.22 -0.24 0.00 0.10 0.00 0.00 66.02 63.67 1x0h s SER 2 CO 0.00 0.33 0.40 -0.24 0.98 0.00 0.00 173.24 174.71 1x0h n SER 3 N 1.81 1.05 0.00 7.02 2.88 -1.26 -5.07 113.62 120.05 1x0h n SER 3 Ca -0.15 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1x0h n SER 3 Cb 0.53 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1x0h n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x0h n GLY 4 N 1.75 0.87 3.67 0.46 0.00 -1.26 -5.16 105.19 105.52 1x0h n GLY 4 Ca -0.26 0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1x0h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x0h s SER 5 N 2.00 2.83 -0.08 1.61 0.01 -1.26 -5.00 113.70 113.81 1x0h s SER 5 Ca 0.00 1.48 0.22 0.00 1.31 0.00 0.00 55.95 58.96 1x0h s SER 5 Cb 0.00 -2.15 0.44 0.00 0.21 0.00 0.00 66.02 64.52 1x0h s SER 5 CO 0.00 -3.04 1.17 -1.20 0.41 0.00 0.00 173.24 170.58 1x0h n SER 6 N -4.15 1.33 -0.79 2.44 7.64 -1.26 -5.13 113.62 113.70 1x0h n SER 6 Ca 0.06 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1x0h n SER 6 Cb 0.55 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.02 -0.66 3.43 0.23 0.00 -1.26 -4.90 105.19 102.06 1x0h n GLY 7 Ca 0.10 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 2.28 0.02 -0.61 1.09 -1.26 -5.12 121.20 117.60 1x0h s ILE 8 Ca 0.00 -2.28 0.00 0.00 -1.10 0.00 0.00 60.65 57.27 1x0h s ILE 8 Cb 0.00 -2.20 -0.04 0.00 -1.06 0.00 0.00 42.46 39.17 1x0h s ILE 8 CO 0.00 -0.39 0.10 -0.55 -0.10 0.00 0.00 174.94 174.01 1x0h s SER 9 N -3.29 5.79 0.84 3.58 0.15 -1.26 -4.58 113.70 114.93 1x0h s SER 9 Ca 0.26 0.15 -0.11 0.00 0.70 0.00 0.00 55.95 56.95 1x0h s SER 9 Cb -0.05 -1.67 0.09 0.00 -1.71 0.00 0.00 66.02 62.69 1x0h s SER 9 CO 0.12 0.24 1.09 -0.76 1.20 0.00 0.00 173.24 175.14 1x0h s LEU 10 N -1.94 2.46 -0.24 3.45 1.43 -1.21 -4.97 118.68 117.65 1x0h s LEU 10 Ca 0.26 1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.72 1x0h s LEU 10 Cb -0.12 -3.93 0.11 0.00 0.03 0.00 0.00 46.19 42.28 1x0h s LEU 10 CO 0.17 -2.26 0.24 -0.54 0.23 0.00 0.00 176.35 174.18 1x0h s LYS 11 N -5.06 0.23 0.09 1.70 -0.14 -1.26 -4.01 119.74 111.29 1x0h s LYS 11 Ca 0.62 0.03 0.03 0.00 -1.36 0.00 0.00 55.97 55.29 1x0h s LYS 11 Cb -0.16 -1.03 -0.04 0.00 -1.68 0.00 0.00 37.83 34.92 1x0h s LYS 11 CO 0.55 -0.81 -0.09 0.71 -0.76 0.00 0.00 175.35 174.96 1x0h s TYR 12 N 2.32 0.93 0.36 3.18 2.02 -1.23 -5.02 117.35 119.91 1x0h s TYR 12 Ca 0.08 -0.69 0.08 0.00 -0.37 0.00 0.00 57.07 56.17 1x0h s TYR 12 Cb -0.15 -0.53 -0.06 0.00 -0.40 0.00 0.00 41.96 40.83 1x0h s TYR 12 CO -0.21 -0.06 0.06 0.95 -1.57 0.00 0.00 175.55 174.72 1x0h s THR 13 N -2.54 2.51 0.16 -0.71 -4.23 -1.26 0.33 115.64 109.90 1x0h s THR 13 Ca 0.04 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.50 1x0h s THR 13 Cb -0.02 -2.87 0.04 0.00 1.34 0.00 0.00 72.50 70.98 1x0h s THR 13 CO -0.01 -0.13 1.81 0.00 -0.54 0.00 0.00 174.62 175.75 1x0h h ALA 14 N 1.71 0.57 -0.48 3.99 0.00 -1.53 -1.02 119.26 122.49 1x0h h ALA 14 Ca -0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1x0h h ALA 14 Cb 1.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1x0h h ALA 14 CO 0.69 -0.02 0.17 0.00 0.00 0.00 0.00 179.25 180.09 1x0h h ALA 15 N 1.18 1.40 -0.37 0.00 0.00 -1.77 0.20 119.26 119.89 1x0h h ALA 15 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1x0h h ALA 15 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1x0h h ALA 15 CO -0.06 0.45 -0.16 -0.09 0.00 0.00 0.00 179.25 179.39 1x0h h ARG 16 N 0.68 0.77 -0.02 0.00 9.65 -1.72 -2.50 114.38 121.24 1x0h h ARG 16 Ca 0.16 -0.33 -0.16 0.00 -1.10 0.00 0.00 59.98 58.55 1x0h h ARG 16 Cb 0.18 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1x0h h ARG 16 CO -0.01 0.94 -0.73 -0.07 2.80 0.00 0.00 179.97 182.90 1x0h h LEU 17 N 0.56 0.16 -0.31 3.80 3.38 -0.86 -3.10 115.31 118.94 1x0h h LEU 17 Ca 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1x0h h LEU 17 Cb 0.70 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1x0h h LEU 17 CO 0.05 0.83 0.13 -0.74 0.09 0.00 0.00 178.44 178.80 1x0h h HIS 18 N 0.09 0.47 -0.77 1.13 2.76 -0.52 -1.51 115.15 116.81 1x0h h HIS 18 Ca -0.02 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1x0h h HIS 18 Cb 1.29 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 30.07 1x0h h HIS 18 CO 0.02 0.45 0.48 0.93 -1.30 0.00 0.00 177.93 178.50 1x0h h GLU 19 N 0.36 1.03 -0.09 5.26 4.39 -1.47 -2.03 114.58 122.03 1x0h h GLU 19 Ca 0.10 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1x0h h GLU 19 Cb 0.17 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1x0h h GLU 19 CO -0.01 0.71 -0.20 0.87 -1.16 0.00 0.00 179.01 179.23 1x0h h LYS 20 N 1.04 0.14 0.00 2.33 1.57 -1.43 -3.47 116.57 116.76 1x0h h LYS 20 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1x0h h LYS 20 Cb -0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1x0h h LYS 20 CO -0.05 0.34 0.00 0.41 -0.57 0.00 0.00 179.45 179.58 1x0h n GLY 21 N -0.81 1.97 0.16 3.86 0.00 -0.66 -5.01 105.19 104.70 1x0h n GLY 21 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.80 1.61 2.07 -1.55 -3.40 116.25 112.18 1x0h h VAL 22 Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 1x0h h VAL 22 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1x0h h VAL 22 CO 0.00 0.00 1.02 -0.22 0.02 0.00 0.00 177.57 178.39 1x0h s LEU 23 N -6.22 4.14 0.00 2.57 2.96 -0.98 0.43 118.68 121.58 1x0h s LEU 23 Ca -0.06 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 1x0h s LEU 23 Cb 0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1x0h s LEU 23 CO 0.19 -0.95 0.00 0.18 -1.32 0.00 0.00 176.35 174.45 1x0h n LEU 24 N 7.26 0.49 0.00 -0.68 4.77 -0.68 -4.11 117.00 124.04 1x0h n LEU 24 Ca 0.16 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.31 1x0h n LEU 24 Cb 0.44 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1x0h n LEU 24 CO 0.60 -0.39 0.35 -0.62 -1.33 0.00 0.00 177.39 176.01 1x0h n GLU 25 N -1.83 0.93 -3.75 3.23 1.02 -1.20 -5.03 120.64 114.01 1x0h n GLU 25 Ca 0.00 -2.57 -0.16 0.00 -0.02 0.00 0.00 57.16 54.41 1x0h n GLU 25 Cb 0.00 2.80 -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 -2.47 -0.07 -1.12 -3.67 1.01 -1.26 -0.31 121.20 113.31 1x0h s ILE 26 Ca 0.23 0.26 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 1x0h s ILE 26 Cb -0.03 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.29 1x0h s ILE 26 CO 0.17 0.11 2.92 -0.62 0.00 0.00 0.00 174.94 177.52 1x0h n GLU 27 N 4.39 3.49 0.00 2.79 1.02 -0.98 -3.68 120.64 127.66 1x0h n GLU 27 Ca -0.23 -2.32 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 1x0h n GLU 27 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1x0h n GLU 27 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x0h n ASP 28 N 2.61 0.00 -4.92 1.62 2.03 -1.26 -4.87 116.55 111.76 1x0h n ASP 28 Ca 0.65 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.76 1x0h n ASP 28 Cb 0.40 0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.28 3.77 0.42 -2.67 1.43 -1.24 -5.13 118.68 112.97 1x0h s LEU 29 Ca 0.00 -0.36 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1x0h s LEU 29 Cb 0.00 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.76 1x0h s LEU 29 CO 0.00 -0.40 0.48 -1.10 0.23 0.00 0.00 176.35 175.56 1x0h s GLN 30 N -4.08 2.67 0.38 1.70 -0.21 -1.26 -4.55 119.66 114.32 1x0h s GLN 30 Ca 0.43 -1.40 0.09 0.00 0.02 0.00 0.00 55.36 54.50 1x0h s GLN 30 Cb -0.07 -2.57 0.84 0.00 1.00 0.00 0.00 33.01 32.21 1x0h s GLN 30 CO 0.29 -0.25 1.95 0.28 -2.12 0.00 0.00 175.29 175.45 1x0h h VAL 31 N 0.82 0.96 0.00 1.09 2.07 -2.00 -0.06 116.25 119.12 1x0h h VAL 31 Ca -0.40 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 1x0h h VAL 31 Cb 1.27 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1x0h h VAL 31 CO 0.51 0.12 -0.48 -0.55 0.02 0.00 0.00 177.57 177.19 1x0h h ASN 32 N 0.64 0.00 1.11 0.57 -1.07 -2.05 -2.91 115.58 111.87 1x0h h ASN 32 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.69 1x0h h ASN 32 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1x0h h ASN 32 CO -0.11 0.48 0.00 1.56 0.07 0.00 0.00 177.43 179.43 1x0h h GLN 33 N 0.00 0.00 -0.11 4.14 4.20 -1.39 -3.14 115.11 118.82 1x0h h GLN 33 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1x0h h GLN 33 Cb 1.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 1x0h h GLN 33 CO 0.06 0.00 0.21 0.74 -0.67 0.00 0.00 178.83 179.18 1x0h h PHE 34 N 0.00 0.00 -0.00 2.96 -1.00 -1.28 0.76 116.94 118.38 1x0h h PHE 34 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 1x0h h PHE 34 Cb 0.56 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1x0h h PHE 34 CO 0.00 0.00 -0.60 -0.22 -1.61 0.00 0.00 178.31 175.88 1x0h h LYS 35 N 0.00 0.01 -1.92 1.51 3.64 -1.77 -2.51 116.57 115.53 1x0h h LYS 35 Ca 0.05 -0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.90 1x0h h LYS 35 Cb 0.48 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.11 1x0h h LYS 35 CO -0.00 0.60 0.50 0.27 -2.27 0.00 0.00 179.45 178.55 1x0h n ASN 36 N -3.83 6.65 -3.77 4.20 0.23 0.26 -4.87 115.26 114.13 1x0h n ASN 36 Ca -0.01 -3.30 -0.13 0.00 -0.53 0.00 0.00 54.58 50.61 1x0h n ASN 36 Cb 0.60 -1.19 -0.10 0.00 -2.08 0.00 0.00 39.78 37.01 1x0h n ASN 36 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1x0h s VAL 37 N -2.71 0.02 -0.02 3.53 1.01 -1.22 -5.06 120.40 115.95 1x0h s VAL 37 Ca 0.56 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1x0h s VAL 37 Cb 0.38 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 36.31 1x0h s VAL 37 CO -0.22 -0.08 -0.01 -0.51 0.00 0.00 0.00 175.10 174.28 1x0h s ILE 38 N -0.24 0.19 -0.39 2.22 1.10 -1.26 -3.31 121.20 119.50 1x0h s ILE 38 Ca -0.04 0.02 -0.01 0.00 -0.51 0.00 0.00 60.65 60.11 1x0h s ILE 38 Cb -0.03 -0.25 0.11 0.00 0.15 0.00 0.00 42.46 42.44 1x0h s ILE 38 CO 0.01 0.12 0.17 -0.36 -2.11 0.00 0.00 174.94 172.77 1x0h s PHE 39 N 0.69 3.63 -0.13 3.50 0.08 0.15 -4.54 117.98 121.35 1x0h s PHE 39 Ca -0.07 -2.55 -0.21 0.00 0.12 0.00 0.00 56.93 54.23 1x0h s PHE 39 Cb -0.10 -3.16 -0.03 0.00 -0.57 0.00 0.00 43.02 39.16 1x0h s PHE 39 CO -0.01 -0.97 0.61 -1.21 -0.10 0.00 0.00 175.22 173.54 1x0h s GLU 40 N 1.09 4.32 -0.34 0.44 2.02 -0.43 -3.50 118.70 122.31 1x0h s GLU 40 Ca 0.09 0.65 0.03 0.00 0.02 0.00 0.00 54.97 55.76 1x0h s GLU 40 Cb -0.22 -3.50 0.10 0.00 0.10 0.00 0.00 34.13 30.61 1x0h s GLU 40 CO -0.05 -0.03 0.06 0.42 0.02 0.00 0.00 175.26 175.67 1x0h s ILE 41 N 1.21 2.02 -0.25 -1.63 1.01 -1.26 0.86 121.20 123.16 1x0h s ILE 41 Ca 0.31 -2.18 -0.29 0.00 0.00 0.00 0.00 60.65 58.49 1x0h s ILE 41 Cb -0.16 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 1x0h s ILE 41 CO 0.13 -0.62 1.27 -0.44 0.00 0.00 0.00 174.94 175.28 1x0h s SER 42 N 1.03 6.80 0.25 3.58 0.01 -0.87 -3.35 113.70 121.15 1x0h s SER 42 Ca 0.11 1.39 -0.31 0.00 1.31 0.00 0.00 55.95 58.45 1x0h s SER 42 Cb -0.19 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.37 1x0h s SER 42 CO -0.11 -0.94 1.38 -2.65 0.41 0.00 0.00 173.24 171.33 1x0h n PRO 43 N 6.99 2.03 -4.15 12.44 -0.02 -1.26 -3.92 135.00 147.10 1x0h n PRO 43 Ca 0.14 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 62.00 1x0h n PRO 43 Cb 0.46 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 1x0h n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1x0h s THR 44 N -0.23 4.76 0.24 3.45 -4.23 -1.26 -5.01 115.64 113.35 1x0h s THR 44 Ca 0.66 -0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 60.89 1x0h s THR 44 Cb -0.64 -3.09 0.22 0.00 1.34 0.00 0.00 72.50 70.34 1x0h s THR 44 CO 0.52 0.51 1.91 -0.08 -0.54 0.00 0.00 174.62 176.94 1x0h h GLU 45 N 4.69 1.21 -7.73 3.99 4.22 -1.94 -3.43 114.58 115.60 1x0h h GLU 45 Ca -0.51 -0.07 -0.45 0.00 0.08 0.00 0.00 59.36 58.41 1x0h h GLU 45 Cb 1.20 -0.27 0.15 0.00 0.50 0.00 0.00 28.75 30.32 1x0h h GLU 45 CO 0.58 0.80 0.39 -1.21 -2.18 0.00 0.00 179.01 177.40 1x0h s GLU 46 N -6.13 0.77 -0.25 1.92 2.02 -1.26 -5.06 118.70 110.71 1x0h s GLU 46 Ca -0.13 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 54.64 1x0h s GLU 46 Cb 0.17 -1.84 0.05 0.00 0.10 0.00 0.00 34.13 32.60 1x0h s GLU 46 CO 0.81 -2.35 -0.10 0.54 0.02 0.00 0.00 175.26 174.17 1x0h s VAL 47 N -3.72 2.36 0.00 2.63 0.11 -1.26 -4.73 120.40 115.79 1x0h s VAL 47 Ca 0.71 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1x0h s VAL 47 Cb -0.06 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.49 1x0h s VAL 47 CO 0.52 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1x0h n GLY 48 N 4.52 3.85 3.78 6.54 0.00 -1.26 -5.11 105.19 117.52 1x0h n GLY 48 Ca -0.15 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 6.78 0.20 1.61 2.15 -1.26 -3.04 116.67 123.11 1x0h s ASP 49 Ca 0.00 0.93 0.09 0.00 0.43 0.00 0.00 52.55 53.99 1x0h s ASP 49 Cb 0.00 -2.28 -0.05 0.00 -0.30 0.00 0.00 42.92 40.30 1x0h s ASP 49 CO 0.00 0.18 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.66 1x0h s PHE 50 N -0.36 1.83 -0.38 -5.34 0.08 -1.09 -4.65 117.98 108.08 1x0h s PHE 50 Ca 0.25 -0.50 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 1x0h s PHE 50 Cb -0.16 -0.86 0.09 0.00 -0.57 0.00 0.00 43.02 41.52 1x0h s PHE 50 CO 0.12 0.41 0.14 -2.00 -0.10 0.00 0.00 175.22 173.79 1x0h s GLU 51 N -3.38 2.08 -0.24 0.44 2.12 -1.25 -2.17 118.70 116.30 1x0h s GLU 51 Ca 0.22 -1.67 -0.14 0.00 0.36 0.00 0.00 54.97 53.73 1x0h s GLU 51 Cb -0.03 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1x0h s GLU 51 CO 0.08 -0.94 0.31 0.08 -0.54 0.00 0.00 175.26 174.25 1x0h s VAL 52 N 1.16 5.24 -0.35 3.70 1.01 0.50 -2.05 120.40 129.61 1x0h s VAL 52 Ca 0.05 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1x0h s VAL 52 Cb -0.22 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1x0h s VAL 52 CO -0.04 0.25 0.09 -0.75 0.00 0.00 0.00 175.10 174.65 1x0h s LYS 53 N 1.48 2.25 -0.29 2.72 2.20 0.25 -2.06 119.74 126.29 1x0h s LYS 53 Ca 0.14 -1.49 -0.02 0.00 -0.36 0.00 0.00 55.97 54.25 1x0h s LYS 53 Cb -0.15 -3.36 0.12 0.00 -1.51 0.00 0.00 37.83 32.93 1x0h s LYS 53 CO 0.08 -0.81 0.24 0.00 -0.36 0.00 0.00 175.35 174.50 1x0h s ALA 54 N 1.21 -0.07 0.23 3.13 0.00 -1.26 -1.31 121.76 123.68 1x0h s ALA 54 Ca 0.01 -0.59 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 1x0h s ALA 54 Cb -0.21 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1x0h s ALA 54 CO -0.02 -1.68 0.55 -1.59 0.00 0.00 0.00 175.76 173.01 1x0h s LYS 55 N 2.27 1.51 -0.49 0.00 -2.85 -1.26 -5.04 119.74 113.87 1x0h s LYS 55 Ca 0.09 -1.01 0.03 0.00 -1.00 0.00 0.00 55.97 54.08 1x0h s LYS 55 Cb -0.15 0.52 0.62 0.00 -2.06 0.00 0.00 37.83 36.77 1x0h s LYS 55 CO -0.34 -0.65 1.92 1.19 0.10 0.00 0.00 175.35 177.57 1x0h n PHE 56 N -0.37 3.04 0.03 1.78 3.72 -1.26 -4.49 117.46 119.90 1x0h n PHE 56 Ca -0.06 -2.07 -0.01 0.00 -0.05 0.00 0.00 57.45 55.26 1x0h n PHE 56 Cb 0.62 -1.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.12 1x0h n PHE 56 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1x0h n MET 57 N -1.10 0.04 -1.82 -1.08 2.81 -1.26 -5.09 117.12 109.62 1x0h n MET 57 Ca 0.60 0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 56.48 1x0h n MET 57 Cb 1.46 -0.48 0.01 0.00 -0.71 0.00 0.00 33.22 33.50 1x0h n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x0h n GLY 58 N 3.28 0.42 3.35 3.03 0.00 -1.26 -5.09 105.19 108.91 1x0h n GLY 58 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.06 0.17 -0.84 1.61 -7.23 -1.26 -5.09 120.40 104.70 1x0h s VAL 59 Ca 0.08 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.03 1x0h s VAL 59 Cb -0.01 -2.45 0.09 0.00 0.56 0.00 0.00 36.38 34.57 1x0h s VAL 59 CO 0.14 0.00 1.14 -1.10 -0.31 0.00 0.00 175.10 174.97 1x0h s GLN 60 N -3.57 3.40 0.12 4.82 1.11 -1.26 -4.95 119.66 119.32 1x0h s GLN 60 Ca 0.35 -1.22 0.01 0.00 0.01 0.00 0.00 55.36 54.51 1x0h s GLN 60 Cb 0.03 -4.70 -0.00 0.00 -1.01 0.00 0.00 33.01 27.32 1x0h s GLN 60 CO 0.23 -1.89 0.13 -0.12 0.01 0.00 0.00 175.29 173.64 1x0h n MET 61 N 7.56 0.19 -2.29 2.91 1.56 -1.26 -5.09 117.12 120.70 1x0h n MET 61 Ca 0.14 -1.05 -0.38 0.00 -0.27 0.00 0.00 57.70 56.14 1x0h n MET 61 Cb 0.48 0.93 -0.03 0.00 2.15 0.00 0.00 33.22 36.75 1x0h n MET 61 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1x0h s GLU 62 N -2.37 2.93 1.17 2.12 2.56 -1.26 -4.98 118.70 118.86 1x0h s GLU 62 Ca 0.12 0.01 -0.13 0.00 0.00 0.00 0.00 54.97 54.97 1x0h s GLU 62 Cb 0.00 -4.48 0.29 0.00 2.00 0.00 0.00 34.13 31.94 1x0h s GLU 62 CO 0.08 -2.53 1.03 0.95 -0.56 0.00 0.00 175.26 174.23 1x0h s THR 63 N 7.49 2.01 0.08 -1.70 -4.23 -1.26 -4.96 115.64 113.07 1x0h s THR 63 Ca 0.53 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.76 1x0h s THR 63 Cb -0.09 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1x0h s THR 63 CO 0.13 -0.00 0.90 0.12 -0.54 0.00 0.00 174.62 175.22 1x0h s PHE 64 N -2.45 3.77 -0.12 3.99 5.36 -0.88 -4.96 117.98 122.70 1x0h s PHE 64 Ca 0.69 1.68 -0.01 0.00 -0.96 0.00 0.00 56.93 58.32 1x0h s PHE 64 Cb -0.25 -2.98 -0.03 0.00 -0.34 0.00 0.00 43.02 39.42 1x0h s PHE 64 CO 0.65 0.21 -0.07 -1.64 -1.46 0.00 0.00 175.22 172.91 1x0h s MET 65 N 0.08 3.28 0.03 10.12 -1.94 -1.26 -0.37 119.30 129.24 1x0h s MET 65 Ca 0.44 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 1x0h s MET 65 Cb -0.22 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 33.85 1x0h s MET 65 CO 0.27 0.39 -0.12 -1.17 -0.01 0.00 0.00 175.02 174.38 1x0h s LEU 66 N -0.06 2.88 -0.03 -0.03 2.96 -0.92 -4.96 118.68 118.52 1x0h s LEU 66 Ca 0.00 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1x0h s LEU 66 Cb -0.13 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1x0h s LEU 66 CO 0.03 0.26 0.08 -2.28 -1.32 0.00 0.00 176.35 173.13 1x0h s HIS 67 N -0.98 3.32 0.17 5.38 2.46 -1.26 -2.66 115.29 121.72 1x0h s HIS 67 Ca 0.16 0.25 0.03 0.00 0.47 0.00 0.00 55.06 55.97 1x0h s HIS 67 Cb -0.11 -1.77 -0.00 0.00 -0.13 0.00 0.00 32.58 30.57 1x0h s HIS 67 CO 0.07 0.57 1.38 -0.92 -2.47 0.00 0.00 174.74 173.36 1x0h h TYR 68 N 4.30 0.28 -0.51 3.88 5.03 -1.96 -3.22 116.97 124.78 1x0h h TYR 68 Ca -0.50 -0.16 0.00 0.00 2.58 0.00 0.00 58.73 60.66 1x0h h TYR 68 Cb 1.19 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.41 1x0h h TYR 68 CO 0.65 0.97 0.33 1.96 -1.32 0.00 0.00 178.16 180.76 1x0h h GLN 69 N 0.11 0.68 -0.45 1.82 1.08 -1.95 -1.49 115.11 114.90 1x0h h GLN 69 Ca -0.04 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 1x0h h GLN 69 Cb 1.50 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.76 1x0h h GLN 69 CO 0.13 0.46 0.21 -0.44 -0.95 0.00 0.00 178.83 178.24 1x0h h ASP 70 N 0.69 0.57 -0.36 1.46 3.32 -1.99 0.24 116.42 120.36 1x0h h ASP 70 Ca 0.19 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1x0h h ASP 70 Cb -0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1x0h h ASP 70 CO -0.04 0.50 -0.20 -0.07 -1.72 0.00 0.00 179.24 177.70 1x0h h LEU 71 N 0.64 0.81 -0.42 1.55 3.38 -1.41 -2.82 115.31 117.03 1x0h h LEU 71 Ca 0.16 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.53 1x0h h LEU 71 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1x0h h LEU 71 CO -0.02 1.05 -0.77 -0.07 0.09 0.00 0.00 178.44 178.71 1x0h h LEU 72 N 0.57 0.26 -1.55 1.67 3.38 -0.85 -3.13 115.31 115.66 1x0h h LEU 72 Ca 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1x0h h LEU 72 Cb 0.76 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1x0h h LEU 72 CO 0.06 0.93 0.05 -0.61 0.09 0.00 0.00 178.44 178.96 1x0h h GLN 73 N 0.13 0.34 -0.36 1.13 -0.00 -0.46 -2.07 115.11 113.83 1x0h h GLN 73 Ca -0.03 -0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.47 1x0h h GLN 73 Cb 1.35 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.76 1x0h h GLN 73 CO 0.12 0.33 -0.20 -0.07 0.00 0.00 0.00 178.83 179.01 1x0h h LEU 74 N 0.34 0.68 -1.07 -2.39 3.38 -1.44 -2.19 115.31 112.62 1x0h h LEU 74 Ca 0.08 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1x0h h LEU 74 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1x0h h LEU 74 CO -0.00 0.88 -0.38 -0.61 0.09 0.00 0.00 178.44 178.41 1x0h h GLN 75 N 0.60 0.15 -0.12 1.13 4.15 -1.44 0.19 115.11 119.78 1x0h h GLN 75 Ca 0.09 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.32 1x0h h GLN 75 Cb 0.67 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1x0h h GLN 75 CO 0.05 0.52 -0.42 -0.92 -1.93 0.00 0.00 178.83 176.12 1x0h h TYR 76 N 0.13 0.65 -0.12 3.99 5.03 -1.18 -3.31 116.97 122.17 1x0h h TYR 76 Ca 0.01 -0.27 -0.05 0.00 2.58 0.00 0.00 58.73 61.01 1x0h h TYR 76 Cb 0.74 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 1x0h h TYR 76 CO 0.01 1.03 -0.10 0.93 -1.32 0.00 0.00 178.16 178.70 1x0h h GLU 77 N 0.09 0.28 0.00 1.82 4.39 -1.31 -3.48 114.58 116.37 1x0h h GLU 77 Ca -0.02 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1x0h h GLU 77 Cb 1.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1x0h h GLU 77 CO 0.09 0.67 0.00 0.41 -1.16 0.00 0.00 179.01 179.02 1x0h n GLY 78 N 0.16 1.00 3.52 -3.84 0.00 -0.11 -5.11 105.19 100.80 1x0h n GLY 78 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1x0h n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x0h s VAL 79 N -1.24 4.18 -0.21 1.61 1.01 -0.25 -4.98 120.40 120.52 1x0h s VAL 79 Ca 0.00 -0.25 0.16 0.00 0.00 0.00 0.00 61.98 61.90 1x0h s VAL 79 Cb 0.00 -2.87 -0.24 0.00 0.00 0.00 0.00 36.38 33.27 1x0h s VAL 79 CO 0.00 0.45 0.04 0.00 0.00 0.00 0.00 175.10 175.59 1x0h n ALA 80 N 3.84 1.50 -2.76 5.51 0.00 -1.26 -4.58 120.51 122.76 1x0h n ALA 80 Ca -0.17 -1.31 -0.34 0.00 0.00 0.00 0.00 53.44 51.62 1x0h n ALA 80 Cb 0.52 -0.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 1x0h n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x0h s VAL 81 N -2.49 3.57 0.06 0.00 1.01 -1.26 -2.19 120.40 119.10 1x0h s VAL 81 Ca -0.13 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1x0h s VAL 81 Cb 0.06 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1x0h s VAL 81 CO 0.80 0.56 -0.19 -0.32 0.00 0.00 0.00 175.10 175.95 1x0h s MET 82 N -0.28 1.99 -0.51 2.72 1.75 -0.66 -4.92 119.30 119.39 1x0h s MET 82 Ca 0.04 -1.04 -0.18 0.00 -1.25 0.00 0.00 55.69 53.26 1x0h s MET 82 Cb -0.13 -2.16 0.07 0.00 2.84 0.00 0.00 34.83 35.45 1x0h s MET 82 CO 0.03 0.52 0.56 0.21 -0.65 0.00 0.00 175.02 175.69 1x0h s LYS 83 N -1.59 3.07 -0.13 4.11 2.47 -1.26 -2.81 119.74 123.60 1x0h s LYS 83 Ca 0.15 -1.11 -0.02 0.00 -1.56 0.00 0.00 55.97 53.43 1x0h s LYS 83 Cb -0.10 -4.13 -0.03 0.00 -1.46 0.00 0.00 37.83 32.10 1x0h s LYS 83 CO 0.06 -1.20 -0.04 -0.51 0.16 0.00 0.00 175.35 173.82 1x0h s LEU 84 N 2.29 3.25 -2.02 5.43 1.43 0.85 -4.47 118.68 125.44 1x0h s LEU 84 Ca 0.11 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1x0h s LEU 84 Cb -0.22 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1x0h s LEU 84 CO 0.09 0.24 0.00 0.49 0.23 0.00 0.00 176.35 177.40 1x0h n PHE 85 N 3.07 -0.40 -2.29 0.29 3.72 -1.26 -1.29 117.46 119.30 1x0h n PHE 85 Ca -0.18 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.07 1x0h n PHE 85 Cb 0.53 -3.61 -0.02 0.00 -0.94 0.00 0.00 39.48 35.44 1x0h n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1x0h n ASP 86 N -1.58 -4.49 0.00 4.37 9.92 -1.26 -4.56 116.55 118.96 1x0h n ASP 86 Ca -0.22 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1x0h n ASP 86 Cb 0.68 -3.82 0.00 0.00 -0.64 0.00 0.00 41.12 37.33 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1x0h n ARG 87 N -2.75 0.00 -1.77 -1.24 1.74 -0.65 -4.95 116.66 107.05 1x0h n ARG 87 Ca -0.18 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.49 1x0h n ARG 87 Cb 0.62 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.04 1x0h n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0h s ALA 88 N -1.11 3.75 -0.07 7.54 0.00 -0.41 -2.32 121.76 129.14 1x0h s ALA 88 Ca 0.00 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.60 1x0h s ALA 88 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1x0h s ALA 88 CO 0.00 -0.99 -0.24 0.15 0.00 0.00 0.00 175.76 174.67 1x0h s LYS 89 N -0.50 2.59 0.09 0.00 1.02 0.57 -0.10 119.74 123.41 1x0h s LYS 89 Ca 0.63 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.81 1x0h s LYS 89 Cb -0.48 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1x0h s LYS 89 CO 0.48 0.33 -0.17 0.08 -0.92 0.00 0.00 175.35 175.15 1x0h s VAL 90 N -0.04 1.36 -0.17 3.17 1.01 -1.12 -1.69 120.40 122.91 1x0h s VAL 90 Ca -0.07 -1.45 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1x0h s VAL 90 Cb -0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1x0h s VAL 90 CO 0.05 -0.19 1.18 0.21 0.00 0.00 0.00 175.10 176.34 1x0h s ASN 91 N -1.90 7.02 0.34 3.32 2.47 0.17 -1.65 114.94 124.70 1x0h s ASN 91 Ca 0.03 1.60 0.13 0.00 0.42 0.00 0.00 52.86 55.03 1x0h s ASN 91 Cb -0.09 -2.54 0.60 0.00 -1.45 0.00 0.00 41.25 37.77 1x0h s ASN 91 CO 0.03 -0.70 1.74 0.58 -3.72 0.00 0.00 177.10 175.03 1x0h h VAL 92 N 5.42 1.26 0.00 -5.21 2.07 -1.71 0.88 116.25 118.97 1x0h h VAL 92 Ca -0.25 -1.60 -0.12 0.00 0.82 0.00 0.00 66.70 65.56 1x0h h VAL 92 Cb 1.10 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1x0h h VAL 92 CO 0.96 0.45 -0.55 0.78 0.02 0.00 0.00 177.57 179.23 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 4.21 -1.83 -3.17 115.58 115.36 1x0h h ASN 93 Ca -0.00 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.27 1x0h h ASN 93 Cb 0.84 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.00 1x0h h ASN 93 CO 0.06 0.55 -2.18 0.18 -1.29 0.00 0.00 177.43 174.75 1x0h n LEU 94 N -3.85 0.00 -0.01 1.61 4.77 -1.08 -3.98 117.00 114.46 1x0h n LEU 94 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1x0h n LEU 94 Cb 0.56 0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.94 1x0h n LEU 94 CO 0.41 0.32 0.82 0.25 -1.33 0.00 0.00 177.39 177.86 1x0h h LEU 95 N 0.00 -0.20 -0.67 2.23 5.85 0.76 -1.99 115.31 121.30 1x0h h LEU 95 Ca -0.35 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.28 1x0h h LEU 95 Cb 1.77 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 1x0h h LEU 95 CO 0.02 -0.08 -0.65 0.40 -0.34 0.00 0.00 178.44 177.79 1x0h h ILE 96 N -0.04 1.45 -0.71 4.05 2.04 -1.78 -3.11 117.51 119.40 1x0h h ILE 96 Ca 0.07 -2.18 0.03 0.00 1.00 0.00 0.00 64.86 63.78 1x0h h ILE 96 Cb 0.15 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1x0h h ILE 96 CO -0.17 0.63 0.47 0.15 0.00 0.00 0.00 178.15 179.23 1x0h h PHE 97 N 0.05 0.85 -0.02 1.37 3.57 -1.55 0.25 116.94 121.46 1x0h h PHE 97 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1x0h h PHE 97 Cb 1.15 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1x0h h PHE 97 CO 0.01 0.51 -0.02 1.25 -2.23 0.00 0.00 178.31 177.82 1x0h h LEU 98 N 0.89 0.05 -1.44 0.59 5.85 -1.31 -3.17 115.31 116.78 1x0h h LEU 98 Ca 0.28 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1x0h h LEU 98 Cb 0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1x0h h LEU 98 CO -0.07 0.55 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.22 1x0h h LEU 99 N -0.45 0.00 -2.41 2.25 3.38 -1.47 0.87 115.31 117.47 1x0h h LEU 99 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1x0h h LEU 99 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x0h h LEU 99 CO 0.00 0.28 0.04 -1.13 0.09 0.00 0.00 178.44 177.73 1x0h h ASN 100 N 0.00 0.00 -0.00 -0.43 -0.73 -0.47 -0.20 115.58 113.74 1x0h h ASN 100 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1x0h h ASN 100 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.11 1x0h h ASN 100 CO 0.04 0.00 -0.14 0.29 -0.37 0.00 0.00 177.43 177.24 1x0h n LYS 101 N -3.85 5.93 0.00 6.67 5.02 -0.92 -4.35 118.16 126.66 1x0h n LYS 101 Ca -0.02 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1x0h n LYS 101 Cb 0.13 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1x0h n LYS 101 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x0h n LYS 102 N -1.06 0.00 0.08 1.97 4.76 0.25 -4.69 118.16 119.47 1x0h n LYS 102 Ca 0.01 0.08 -0.06 0.00 -2.87 0.00 0.00 58.31 55.46 1x0h n LYS 102 Cb 0.05 -0.40 -0.07 0.00 -1.84 0.00 0.00 35.03 32.77 1x0h n LYS 102 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1x0h h PHE 103 N 0.00 0.03 -2.24 2.13 -1.00 -1.69 -3.45 116.94 110.73 1x0h h PHE 103 Ca 0.00 -0.02 -0.57 0.00 2.81 0.00 0.00 57.97 60.19 1x0h h PHE 103 Cb 0.00 -0.00 0.03 0.00 3.61 0.00 0.00 35.95 39.58 1x0h h PHE 103 CO 0.00 0.95 1.12 0.98 -1.61 0.00 0.00 178.31 179.75 1x0h n TYR 104 N -3.45 2.44 0.00 -0.55 9.36 -0.13 -4.73 117.16 120.10 1x0h n TYR 104 Ca -0.01 -0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1x0h n TYR 104 Cb 0.88 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.88 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1x0h n GLY 105 N 4.35 1.49 3.78 2.98 0.00 -1.26 -4.70 105.19 111.82 1x0h n GLY 105 Ca 0.21 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1x0h n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0h s LYS 106 N -0.02 2.55 -0.46 1.61 -0.14 -1.26 -5.10 119.74 116.92 1x0h s LYS 106 Ca 0.00 -1.39 0.03 0.00 -1.36 0.00 0.00 55.97 53.24 1x0h s LYS 106 Cb 0.00 -2.33 0.14 0.00 -1.68 0.00 0.00 37.83 33.96 1x0h s LYS 106 CO 0.00 0.16 0.26 -1.12 -0.76 0.00 0.00 175.35 173.89 1x0h s SER 107 N -3.89 3.64 0.00 2.83 0.01 -1.26 -4.86 113.70 110.18 1x0h s SER 107 Ca 0.38 -2.76 0.00 0.00 1.31 0.00 0.00 55.95 54.88 1x0h s SER 107 Cb -0.05 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.11 1x0h s SER 107 CO 0.24 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1x0h n GLY 108 N 3.37 -1.63 3.77 3.44 0.00 -1.26 -5.15 105.19 107.72 1x0h n GLY 108 Ca 0.10 0.57 -0.33 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 2.84 -1.26 1.61 0.04 -1.26 -3.70 135.00 133.27 1x0h s PRO 109 Ca 0.00 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 1x0h s PRO 109 Cb 0.00 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.59 1x0h s PRO 109 CO 0.00 -1.22 1.10 0.45 0.04 0.00 0.00 177.00 177.37 1x0h n SER 110 N -2.32 -5.61 -4.85 6.66 2.88 -1.26 -4.99 113.62 104.13 1x0h n SER 110 Ca 0.10 -0.52 -0.37 0.00 -1.33 0.00 0.00 58.87 56.76 1x0h n SER 110 Cb 0.52 -4.80 -0.07 0.00 -0.75 0.00 0.00 64.21 59.12 1x0h n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x0h s SER 111 N -3.43 6.20 0.00 -3.46 0.15 -1.24 -5.21 113.70 106.70 1x0h s SER 111 Ca 0.48 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1x0h s SER 111 Cb -0.21 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1x0h s SER 111 CO 0.69 0.40 0.00 0.61 1.20 0.00 0.00 173.24 176.14