#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0h n SER 2 N 0.00 1.34 -4.57 1.61 7.64 -1.26 -4.83 113.62 113.54 1x0h n SER 2 Ca 0.00 0.21 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 1x0h n SER 2 Cb 0.00 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 62.57 1x0h n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x0h s SER 3 N -5.62 4.33 -0.25 6.43 0.01 -1.26 -4.82 113.70 112.53 1x0h s SER 3 Ca -0.16 -0.82 -0.10 0.00 1.31 0.00 0.00 55.95 56.18 1x0h s SER 3 Cb 0.02 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.78 1x0h s SER 3 CO 0.23 -3.67 0.56 -0.83 0.41 0.00 0.00 173.24 169.94 1x0h s GLY 4 N 8.49 -0.56 -0.50 3.44 0.00 -1.26 -5.11 107.32 111.83 1x0h s GLY 4 Ca 0.78 2.01 -0.27 0.00 0.00 0.00 0.00 44.72 47.24 1x0h s GLY 4 CO 0.10 2.60 1.91 -1.35 0.00 0.00 0.00 173.10 176.36 1x0h s SER 5 N 2.43 5.38 0.23 1.64 1.04 -1.26 -4.96 113.70 118.20 1x0h s SER 5 Ca -0.06 0.76 0.10 0.00 0.48 0.00 0.00 55.95 57.24 1x0h s SER 5 Cb -0.10 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 1x0h s SER 5 CO -0.17 -2.21 -0.12 -0.44 0.98 0.00 0.00 173.24 171.28 1x0h s SER 6 N 7.92 4.01 0.00 7.02 0.01 -1.26 -5.02 113.70 126.39 1x0h s SER 6 Ca 0.75 -0.76 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1x0h s SER 6 Cb -0.17 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.50 1x0h s SER 6 CO 0.26 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1x0h n GLY 7 N -0.34 0.51 1.39 3.44 0.00 -1.26 -5.11 105.19 103.83 1x0h n GLY 7 Ca -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1x0h n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x0h n ILE 8 N 0.00 -4.12 -3.31 -0.61 5.41 -1.26 -4.89 119.36 110.57 1x0h n ILE 8 Ca 0.00 1.87 -0.38 0.00 1.00 0.00 0.00 62.75 65.24 1x0h n ILE 8 Cb 0.00 -2.68 -0.06 0.00 -0.71 0.00 0.00 39.64 36.19 1x0h n ILE 8 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1x0h s SER 9 N -3.83 6.78 0.30 4.38 1.04 -1.26 -4.51 113.70 116.60 1x0h s SER 9 Ca 0.00 0.93 -0.29 0.00 0.48 0.00 0.00 55.95 57.06 1x0h s SER 9 Cb 0.00 -2.30 -0.10 0.00 0.10 0.00 0.00 66.02 63.71 1x0h s SER 9 CO 0.00 0.07 1.43 -0.76 0.98 0.00 0.00 173.24 174.96 1x0h s LEU 10 N 0.18 4.38 -0.24 2.42 1.43 0.08 -4.78 118.68 122.15 1x0h s LEU 10 Ca 0.27 2.78 0.02 0.00 -1.03 0.00 0.00 54.13 56.17 1x0h s LEU 10 Cb -0.16 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.47 1x0h s LEU 10 CO 0.13 -0.71 -0.13 -0.54 0.23 0.00 0.00 176.35 175.32 1x0h s LYS 11 N -1.07 2.42 0.02 1.70 -0.14 -1.26 -0.92 119.74 120.48 1x0h s LYS 11 Ca 0.56 -1.21 0.04 0.00 -1.36 0.00 0.00 55.97 54.00 1x0h s LYS 11 Cb -0.43 -2.80 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 1x0h s LYS 11 CO 0.50 -0.48 -0.12 0.71 -0.76 0.00 0.00 175.35 175.20 1x0h s TYR 12 N 1.16 1.07 0.48 3.18 2.02 -0.84 -4.99 117.35 119.44 1x0h s TYR 12 Ca -0.05 -0.29 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1x0h s TYR 12 Cb -0.18 -0.66 -0.07 0.00 -0.40 0.00 0.00 41.96 40.65 1x0h s TYR 12 CO -0.07 0.00 0.91 0.95 -1.57 0.00 0.00 175.55 175.78 1x0h s THR 13 N -0.63 4.63 0.25 -0.71 -4.23 -1.26 0.21 115.64 113.90 1x0h s THR 13 Ca 0.02 0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 61.46 1x0h s THR 13 Cb -0.06 -3.73 0.24 0.00 1.34 0.00 0.00 72.50 70.29 1x0h s THR 13 CO 0.00 -0.66 1.90 0.00 -0.54 0.00 0.00 174.62 175.32 1x0h h ALA 14 N 0.96 1.26 -0.57 3.99 0.00 -0.17 -1.79 119.26 122.94 1x0h h ALA 14 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1x0h h ALA 14 Cb 1.19 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1x0h h ALA 14 CO 0.62 0.51 0.30 0.00 0.00 0.00 0.00 179.25 180.68 1x0h h ALA 15 N 1.39 1.46 0.25 0.00 0.00 -1.80 -1.19 119.26 119.37 1x0h h ALA 15 Ca 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1x0h h ALA 15 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1x0h h ALA 15 CO -0.12 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 1x0h h ARG 16 N 0.79 -0.32 -0.08 0.00 2.47 -1.69 0.19 114.38 115.74 1x0h h ARG 16 Ca 0.20 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.90 1x0h h ARG 16 Cb 0.04 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1x0h h ARG 16 CO -0.03 -0.18 -0.17 -0.07 0.56 0.00 0.00 179.97 180.08 1x0h h LEU 17 N -0.38 0.13 -0.19 3.04 3.38 -1.30 -2.07 115.31 117.92 1x0h h LEU 17 Ca -0.03 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 1x0h h LEU 17 Cb 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1x0h h LEU 17 CO 0.06 0.31 -0.54 -0.74 0.09 0.00 0.00 178.44 177.61 1x0h h HIS 18 N 0.13 0.91 -0.36 1.13 2.76 -0.86 -0.37 115.15 118.49 1x0h h HIS 18 Ca 0.02 -0.36 -0.02 0.00 -2.20 0.00 0.00 60.37 57.81 1x0h h HIS 18 Cb 0.38 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 1x0h h HIS 18 CO 0.00 1.16 0.13 0.93 -1.30 0.00 0.00 177.93 178.85 1x0h h GLU 19 N 0.40 0.54 -0.45 5.26 4.39 -0.32 -2.78 114.58 121.63 1x0h h GLU 19 Ca -0.01 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1x0h h GLU 19 Cb 1.16 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1x0h h GLU 19 CO 0.12 0.54 0.10 0.87 -1.16 0.00 0.00 179.01 179.48 1x0h h LYS 20 N 0.43 0.67 0.00 2.33 1.57 -1.43 -3.47 116.57 116.67 1x0h h LYS 20 Ca 0.12 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x0h h LYS 20 Cb 0.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1x0h h LYS 20 CO -0.01 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 179.90 1x0h n GLY 21 N -0.95 2.02 0.15 3.86 0.00 -0.92 -5.02 105.19 104.33 1x0h n GLY 21 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.96 1.61 2.07 -1.49 -3.41 116.25 112.08 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 0.80 -0.22 0.02 0.00 0.00 177.57 178.17 1x0h s LEU 23 N -6.19 4.31 -0.03 2.57 2.96 -0.27 0.06 118.68 122.09 1x0h s LEU 23 Ca -0.05 2.04 -0.01 0.00 -0.22 0.00 0.00 54.13 55.89 1x0h s LEU 23 Cb 0.01 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 1x0h s LEU 23 CO 0.18 -0.68 -0.02 -0.07 -1.32 0.00 0.00 176.35 174.44 1x0h h LEU 24 N 8.28 0.00 -8.00 -0.68 3.38 -1.30 -3.36 115.31 113.62 1x0h h LEU 24 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1x0h h LEU 24 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1x0h h LEU 24 CO 0.90 0.16 0.27 -1.61 0.09 0.00 0.00 178.44 178.25 1x0h s GLU 25 N -1.22 2.18 -0.10 1.13 2.02 -1.19 -5.01 118.70 116.51 1x0h s GLU 25 Ca -0.02 -1.38 -0.02 0.00 0.02 0.00 0.00 54.97 53.57 1x0h s GLU 25 Cb 0.00 0.62 0.04 0.00 0.10 0.00 0.00 34.13 34.89 1x0h s GLU 25 CO 0.02 -1.02 0.02 0.42 0.02 0.00 0.00 175.26 174.72 1x0h s ILE 26 N -2.52 0.33 -0.93 -1.63 1.01 -1.26 -0.11 121.20 116.09 1x0h s ILE 26 Ca 0.15 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 1x0h s ILE 26 Cb -0.05 -0.59 -0.11 0.00 0.01 0.00 0.00 42.46 41.73 1x0h s ILE 26 CO 0.11 0.14 2.04 -0.62 0.00 0.00 0.00 174.94 176.60 1x0h n GLU 27 N 5.15 1.89 0.00 2.79 1.02 -0.95 -2.87 120.64 127.67 1x0h n GLU 27 Ca -0.07 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1x0h n GLU 27 Cb 0.49 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 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 6.61 0.00 -4.66 1.62 2.03 -1.26 -4.85 116.55 116.04 1x0h n ASP 28 Ca 0.50 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.55 1x0h n ASP 28 Cb 0.35 0.01 -0.09 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.53 2.97 0.56 -2.67 1.43 -1.14 -5.16 118.68 112.14 1x0h s LEU 29 Ca 0.00 -1.21 0.08 0.00 -1.03 0.00 0.00 54.13 51.97 1x0h s LEU 29 Cb 0.00 -1.15 0.07 0.00 0.03 0.00 0.00 46.19 45.15 1x0h s LEU 29 CO 0.00 -0.44 0.77 -1.10 0.23 0.00 0.00 176.35 175.80 1x0h s GLN 30 N -3.77 2.36 0.11 1.70 -0.21 -1.26 -4.52 119.66 114.06 1x0h s GLN 30 Ca 0.37 -1.48 -0.23 0.00 0.02 0.00 0.00 55.36 54.03 1x0h s GLN 30 Cb 0.06 -2.64 -0.10 0.00 1.00 0.00 0.00 33.01 31.34 1x0h s GLN 30 CO 0.20 -0.79 1.70 0.28 -2.12 0.00 0.00 175.29 174.56 1x0h h VAL 31 N 0.20 0.79 0.00 1.09 2.07 -2.00 -1.52 116.25 116.88 1x0h h VAL 31 Ca -0.33 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1x0h h VAL 31 Cb 1.28 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1x0h h VAL 31 CO 0.42 0.00 -0.04 -0.55 0.02 0.00 0.00 177.57 177.42 1x0h h ASN 32 N -0.14 0.00 1.43 0.57 -1.07 -2.05 -1.16 115.58 113.16 1x0h h ASN 32 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.39 1x0h h ASN 32 Cb 0.18 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.43 1x0h h ASN 32 CO -0.09 0.04 -0.08 1.56 0.07 0.00 0.00 177.43 178.93 1x0h h GLN 33 N 0.00 0.00 -0.59 4.14 4.20 -1.66 -3.18 115.11 118.02 1x0h h GLN 33 Ca -0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1x0h h GLN 33 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1x0h h GLN 33 CO 0.00 0.08 0.50 0.74 -0.67 0.00 0.00 178.83 179.49 1x0h h PHE 34 N 0.00 0.00 -0.07 2.96 -1.00 -0.94 0.21 116.94 118.11 1x0h h PHE 34 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1x0h h PHE 34 Cb 0.82 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.38 1x0h h PHE 34 CO 0.00 0.00 0.05 0.87 -1.61 0.00 0.00 178.31 177.62 1x0h h LYS 35 N 0.00 0.09 -1.03 1.51 1.57 -1.74 -1.47 116.57 115.49 1x0h h LYS 35 Ca 0.28 -0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.50 1x0h h LYS 35 Cb 1.29 -0.02 -0.28 0.00 0.08 0.00 0.00 32.23 33.30 1x0h h LYS 35 CO -0.00 0.06 0.72 0.27 -0.57 0.00 0.00 179.45 179.92 1x0h n ASN 36 N -4.53 5.60 -3.70 0.86 0.23 0.75 -4.86 115.26 109.61 1x0h n ASN 36 Ca -0.02 -3.60 -0.16 0.00 -0.53 0.00 0.00 54.58 50.27 1x0h n ASN 36 Cb 0.09 -0.90 -0.15 0.00 -2.08 0.00 0.00 39.78 36.73 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 -3.78 -0.17 -0.02 3.53 1.01 -0.56 -5.08 120.40 115.34 1x0h s VAL 37 Ca 0.57 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.89 1x0h s VAL 37 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.57 1x0h s VAL 37 CO 0.05 0.12 -0.16 -0.51 0.00 0.00 0.00 175.10 174.60 1x0h s ILE 38 N 1.85 1.27 -0.14 2.22 2.07 -1.26 0.35 121.20 127.55 1x0h s ILE 38 Ca -0.02 -0.67 -0.03 0.00 -1.41 0.00 0.00 60.65 58.52 1x0h s ILE 38 Cb -0.12 -1.07 -0.03 0.00 0.13 0.00 0.00 42.46 41.38 1x0h s ILE 38 CO -0.06 0.36 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.93 1x0h s PHE 39 N -0.28 3.01 -0.42 3.50 0.08 0.13 -1.75 117.98 122.26 1x0h s PHE 39 Ca 0.04 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 1x0h s PHE 39 Cb -0.07 -1.92 0.09 0.00 -0.57 0.00 0.00 43.02 40.54 1x0h s PHE 39 CO -0.00 0.01 0.25 -2.00 -0.10 0.00 0.00 175.22 173.38 1x0h s GLU 40 N 0.20 2.51 -0.49 0.44 2.12 0.28 -1.98 118.70 121.78 1x0h s GLU 40 Ca -0.02 -1.53 -0.17 0.00 0.36 0.00 0.00 54.97 53.61 1x0h s GLU 40 Cb -0.14 -3.75 0.07 0.00 0.26 0.00 0.00 34.13 30.57 1x0h s GLU 40 CO 0.03 -0.98 0.48 0.42 -0.54 0.00 0.00 175.26 174.67 1x0h s ILE 41 N 1.37 5.10 -0.08 -3.70 1.09 -0.10 -1.35 121.20 123.54 1x0h s ILE 41 Ca 0.04 -0.86 -0.23 0.00 -1.10 0.00 0.00 60.65 58.50 1x0h s ILE 41 Cb -0.23 -4.19 -0.04 0.00 -1.06 0.00 0.00 42.46 36.94 1x0h s ILE 41 CO 0.01 -0.66 0.67 -0.44 -0.10 0.00 0.00 174.94 174.41 1x0h s SER 42 N 2.64 6.93 1.11 3.58 0.01 -0.18 -0.74 113.70 127.05 1x0h s SER 42 Ca 0.08 1.12 -0.18 0.00 1.31 0.00 0.00 55.95 58.29 1x0h s SER 42 Cb -0.22 -2.39 0.25 0.00 0.21 0.00 0.00 66.02 63.87 1x0h s SER 42 CO 0.08 -0.11 1.18 -2.16 0.41 0.00 0.00 173.24 172.65 1x0h s PRO 43 N 0.82 -0.51 0.14 12.44 0.04 -1.26 -1.22 135.00 145.45 1x0h s PRO 43 Ca 0.36 -0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.25 1x0h s PRO 43 Cb -0.17 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1x0h s PRO 43 CO 0.17 -3.22 -0.05 0.95 0.04 0.00 0.00 177.00 174.89 1x0h s THR 44 N -3.32 0.83 0.23 1.26 -4.23 -1.26 -4.72 115.64 104.43 1x0h s THR 44 Ca 0.72 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 1x0h s THR 44 Cb -0.08 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 1x0h s THR 44 CO 0.55 -0.68 1.54 -0.08 -0.54 0.00 0.00 174.62 175.41 1x0h h GLU 45 N 2.80 0.23 -6.95 3.99 4.22 -1.99 -3.45 114.58 113.44 1x0h h GLU 45 Ca -0.36 -0.17 -0.44 0.00 0.08 0.00 0.00 59.36 58.47 1x0h h GLU 45 Cb 1.19 0.03 0.06 0.00 0.50 0.00 0.00 28.75 30.52 1x0h h GLU 45 CO 0.64 0.79 0.03 -1.21 -2.18 0.00 0.00 179.01 177.07 1x0h s GLU 46 N -3.71 2.40 -0.32 1.92 2.02 -1.26 -5.08 118.70 114.67 1x0h s GLU 46 Ca -0.04 -0.71 -0.08 0.00 0.02 0.00 0.00 54.97 54.15 1x0h s GLU 46 Cb 0.12 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 31.94 1x0h s GLU 46 CO 0.80 -0.88 0.13 0.54 0.02 0.00 0.00 175.26 175.86 1x0h s VAL 47 N -2.89 4.24 0.00 2.63 0.11 -1.26 -4.52 120.40 118.71 1x0h s VAL 47 Ca 0.59 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 1x0h s VAL 47 Cb -0.10 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 1x0h s VAL 47 CO 0.40 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1x0h n GLY 48 N 4.92 4.55 3.87 6.54 0.00 -1.26 -5.05 105.19 118.75 1x0h n GLY 48 Ca -0.14 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 6.62 0.02 1.61 -1.08 -1.26 -1.64 116.67 120.94 1x0h s ASP 49 Ca 0.00 0.76 -0.04 0.00 -0.52 0.00 0.00 52.55 52.75 1x0h s ASP 49 Cb 0.00 -2.17 -0.01 0.00 -1.46 0.00 0.00 42.92 39.28 1x0h s ASP 49 CO 0.00 0.18 0.05 -0.36 0.52 0.00 0.00 175.17 175.56 1x0h s PHE 50 N -1.39 0.18 -0.26 -5.34 0.08 -0.78 -4.41 117.98 106.05 1x0h s PHE 50 Ca 0.32 -0.41 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 1x0h s PHE 50 Cb -0.14 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.13 1x0h s PHE 50 CO 0.18 -0.27 0.14 -2.00 -0.10 0.00 0.00 175.22 173.17 1x0h s GLU 51 N -1.77 3.85 -0.33 0.44 2.12 -0.35 -1.10 118.70 121.54 1x0h s GLU 51 Ca -0.12 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 54.82 1x0h s GLU 51 Cb -0.07 -3.52 0.07 0.00 0.26 0.00 0.00 34.13 30.88 1x0h s GLU 51 CO -0.01 -0.16 0.06 0.08 -0.54 0.00 0.00 175.26 174.69 1x0h s VAL 52 N 1.65 2.97 0.01 3.70 1.01 0.57 -1.01 120.40 129.30 1x0h s VAL 52 Ca 0.07 -1.69 0.08 0.00 0.00 0.00 0.00 61.98 60.43 1x0h s VAL 52 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1x0h s VAL 52 CO 0.08 -0.33 -0.23 -0.75 0.00 0.00 0.00 175.10 173.87 1x0h s LYS 53 N 1.18 1.74 -0.35 2.72 2.20 -0.46 -3.46 119.74 123.31 1x0h s LYS 53 Ca 0.00 -0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 54.64 1x0h s LYS 53 Cb -0.21 -1.79 0.06 0.00 -1.51 0.00 0.00 37.83 34.39 1x0h s LYS 53 CO -0.03 0.47 0.11 0.00 -0.36 0.00 0.00 175.35 175.55 1x0h s ALA 54 N -0.68 3.02 0.03 3.13 0.00 -1.26 1.00 121.76 127.00 1x0h s ALA 54 Ca 0.09 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.78 1x0h s ALA 54 Cb -0.09 -2.24 -0.09 0.00 0.00 0.00 0.00 23.12 20.70 1x0h s ALA 54 CO 0.01 -1.45 1.99 1.17 0.00 0.00 0.00 175.76 177.47 1x0h n LYS 55 N 4.71 2.84 0.15 0.00 4.81 -0.72 -4.62 118.16 125.34 1x0h n LYS 55 Ca -0.10 1.03 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1x0h n LYS 55 Cb 0.43 -3.03 0.00 0.00 0.02 0.00 0.00 35.03 32.46 1x0h n LYS 55 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1x0h n PHE 56 N 7.73 -3.70 -0.03 5.64 7.35 -1.26 -4.33 117.46 128.85 1x0h n PHE 56 Ca 0.20 1.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.85 1x0h n PHE 56 Cb 0.41 2.58 -0.03 0.00 0.35 0.00 0.00 39.48 42.79 1x0h n PHE 56 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1x0h n MET 57 N -3.15 0.81 0.00 -4.13 2.81 -1.26 -5.09 117.12 107.10 1x0h n MET 57 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1x0h n MET 57 Cb 0.00 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 3.08 0.76 3.41 3.03 0.00 -1.26 -5.06 105.19 109.15 1x0h n GLY 58 Ca -0.11 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.81 4.61 -0.42 1.61 -7.23 -1.26 -4.88 120.40 112.01 1x0h s VAL 59 Ca 0.00 -0.75 0.04 0.00 -1.81 0.00 0.00 61.98 59.46 1x0h s VAL 59 Cb 0.00 -4.58 0.64 0.00 0.56 0.00 0.00 36.38 32.99 1x0h s VAL 59 CO 0.00 -1.28 1.87 0.00 -0.31 0.00 0.00 175.10 175.38 1x0h n GLN 60 N 6.92 2.21 -0.05 4.82 6.02 -1.26 -4.17 117.38 131.87 1x0h n GLN 60 Ca -0.06 -2.85 -0.06 0.00 -0.01 0.00 0.00 57.00 54.02 1x0h n GLN 60 Cb 0.44 -2.12 -0.08 0.00 1.02 0.00 0.00 30.24 29.50 1x0h n GLN 60 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1x0h n MET 61 N -1.04 1.94 -3.83 -1.09 2.81 -1.26 -5.08 117.12 109.56 1x0h n MET 61 Ca 0.56 0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 56.40 1x0h n MET 61 Cb 1.61 -1.27 -0.02 0.00 -0.71 0.00 0.00 33.22 32.84 1x0h n MET 61 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1x0h s GLU 62 N -2.25 1.64 -0.05 0.03 2.12 -1.26 -5.18 118.70 113.74 1x0h s GLU 62 Ca -0.07 -0.90 -0.05 0.00 0.36 0.00 0.00 54.97 54.30 1x0h s GLU 62 Cb 0.03 0.56 0.01 0.00 0.26 0.00 0.00 34.13 35.00 1x0h s GLU 62 CO 0.41 -0.75 0.14 0.99 -0.54 0.00 0.00 175.26 175.50 1x0h s THR 63 N -3.76 0.00 0.00 -1.70 2.01 -1.26 -4.90 115.64 106.04 1x0h s THR 63 Ca 0.11 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.79 1x0h s THR 63 Cb -0.05 -0.21 -0.06 0.00 0.01 0.00 0.00 72.50 72.19 1x0h s THR 63 CO 0.06 -0.01 1.48 0.12 -0.69 0.00 0.00 174.62 175.58 1x0h s PHE 64 N 0.03 2.65 0.29 4.92 5.36 -1.22 -4.91 117.98 125.09 1x0h s PHE 64 Ca -0.00 0.64 -0.01 0.00 -0.96 0.00 0.00 56.93 56.60 1x0h s PHE 64 Cb -0.01 -3.75 -0.04 0.00 -0.34 0.00 0.00 43.02 38.88 1x0h s PHE 64 CO 0.00 -2.90 0.50 -1.64 -1.46 0.00 0.00 175.22 169.72 1x0h s MET 65 N 2.71 3.52 -0.22 10.12 -1.94 -1.26 -0.32 119.30 131.91 1x0h s MET 65 Ca 0.67 -0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 54.32 1x0h s MET 65 Cb -0.33 -2.72 0.11 0.00 2.01 0.00 0.00 34.83 33.90 1x0h s MET 65 CO 0.28 0.25 0.26 -1.17 -0.01 0.00 0.00 175.02 174.62 1x0h s LEU 66 N -3.87 -0.23 0.86 -0.03 2.96 -0.26 -4.87 118.68 113.24 1x0h s LEU 66 Ca 0.40 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 54.01 1x0h s LEU 66 Cb -0.10 0.55 0.11 0.00 0.50 0.00 0.00 46.19 47.25 1x0h s LEU 66 CO 0.32 -0.33 1.19 -2.28 -1.32 0.00 0.00 176.35 173.94 1x0h s HIS 67 N 2.38 2.61 -0.07 5.38 2.46 -1.26 -1.87 115.29 124.91 1x0h s HIS 67 Ca 0.08 0.69 0.09 0.00 0.47 0.00 0.00 55.06 56.39 1x0h s HIS 67 Cb -0.16 -3.58 -0.24 0.00 -0.13 0.00 0.00 32.58 28.48 1x0h s HIS 67 CO -0.15 -2.06 0.54 0.98 -2.47 0.00 0.00 174.74 171.58 1x0h n TYR 68 N -3.50 0.97 -0.15 3.88 9.36 -0.65 -4.01 117.16 123.07 1x0h n TYR 68 Ca 0.09 0.31 -0.08 0.00 3.32 0.00 0.00 57.90 61.55 1x0h n TYR 68 Cb 0.60 -1.17 0.08 0.00 -0.63 0.00 0.00 39.34 38.23 1x0h n TYR 68 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1x0h h GLN 69 N 0.02 0.91 -0.87 2.98 4.15 -1.95 -2.88 115.11 117.47 1x0h h GLN 69 Ca -0.34 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 58.78 1x0h h GLN 69 Cb 2.03 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 29.61 1x0h h GLN 69 CO 0.07 0.95 0.56 -0.44 -1.93 0.00 0.00 178.83 178.05 1x0h h ASP 70 N 0.82 1.01 -0.19 -0.69 3.32 -1.98 0.60 116.42 119.31 1x0h h ASP 70 Ca 0.14 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1x0h h ASP 70 Cb 0.60 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1x0h h ASP 70 CO 0.04 0.75 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.22 1x0h h LEU 71 N 1.18 0.45 -0.11 1.55 3.38 -1.65 -2.54 115.31 117.56 1x0h h LEU 71 Ca 0.32 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 1x0h h LEU 71 Cb -0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1x0h h LEU 71 CO -0.07 0.52 -1.00 -0.07 0.09 0.00 0.00 178.44 177.92 1x0h h LEU 72 N 0.46 0.25 -1.64 1.67 3.38 -1.16 -3.22 115.31 115.05 1x0h h LEU 72 Ca 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1x0h h LEU 72 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x0h h LEU 72 CO 0.01 1.10 0.16 -0.61 0.09 0.00 0.00 178.44 179.19 1x0h h GLN 73 N 0.08 0.40 -0.03 1.13 -0.00 -0.49 -1.64 115.11 114.55 1x0h h GLN 73 Ca -0.06 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.65 58.38 1x0h h GLN 73 Cb 1.68 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 29.07 1x0h h GLN 73 CO 0.15 0.30 -0.75 -0.07 0.00 0.00 0.00 178.83 178.46 1x0h h LEU 74 N 0.40 0.28 -0.97 -2.39 3.38 -1.52 -2.56 115.31 111.93 1x0h h LEU 74 Ca 0.11 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1x0h h LEU 74 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1x0h h LEU 74 CO -0.02 0.92 -0.45 -0.61 0.09 0.00 0.00 178.44 178.38 1x0h h GLN 75 N 0.15 0.15 0.06 1.13 4.15 -1.33 0.18 115.11 119.59 1x0h h GLN 75 Ca -0.03 -0.07 -0.26 0.00 0.77 0.00 0.00 58.65 59.06 1x0h h GLN 75 Cb 1.32 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.02 1x0h h GLN 75 CO 0.12 0.57 -1.11 -0.92 -1.93 0.00 0.00 178.83 175.56 1x0h h TYR 76 N 0.12 0.78 0.01 3.99 3.20 -1.34 -3.33 116.97 120.41 1x0h h TYR 76 Ca 0.01 -0.47 -0.13 0.00 3.14 0.00 0.00 58.73 61.27 1x0h h TYR 76 Cb 0.84 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 39.05 1x0h h TYR 76 CO 0.01 1.32 -0.52 0.93 -1.64 0.00 0.00 178.16 178.25 1x0h h GLU 77 N 0.24 0.34 0.00 1.82 5.08 -1.35 -3.48 114.58 117.22 1x0h h GLU 77 Ca -0.13 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1x0h h GLU 77 Cb 1.77 0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1x0h h GLU 77 CO 0.20 1.07 0.00 0.41 -1.00 0.00 0.00 179.01 179.69 1x0h n GLY 78 N 1.12 1.33 3.54 -3.84 0.00 0.53 -5.08 105.19 102.79 1x0h n GLY 78 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.06 0.04 1.61 0.31 -0.64 -4.76 118.33 114.82 1x0h n VAL 79 Ca 0.00 -0.63 -0.09 0.00 -0.01 0.00 0.00 64.34 63.61 1x0h n VAL 79 Cb 0.00 -2.27 -0.13 0.00 -0.91 0.00 0.00 33.84 30.53 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 17.59 0.46 -2.71 3.52 0.00 -1.97 -3.39 119.26 132.76 1x0h h ALA 80 Ca -0.18 -1.10 -0.63 0.00 0.00 0.00 0.00 54.91 52.99 1x0h h ALA 80 Cb 1.26 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1x0h h ALA 80 CO 1.20 1.33 -0.34 0.08 0.00 0.00 0.00 179.25 181.52 1x0h s VAL 81 N -2.66 5.27 -0.19 0.00 1.01 -1.26 -0.94 120.40 121.63 1x0h s VAL 81 Ca -0.02 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 1x0h s VAL 81 Cb 0.09 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1x0h s VAL 81 CO 0.83 0.58 -0.10 -0.32 0.00 0.00 0.00 175.10 176.08 1x0h s MET 82 N -0.90 3.29 -0.55 2.72 1.75 -0.22 -4.91 119.30 120.48 1x0h s MET 82 Ca 0.19 -0.69 -0.25 0.00 -1.25 0.00 0.00 55.69 53.69 1x0h s MET 82 Cb -0.14 -2.81 0.04 0.00 2.84 0.00 0.00 34.83 34.76 1x0h s MET 82 CO 0.08 -0.09 0.97 0.21 -0.65 0.00 0.00 175.02 175.54 1x0h s LYS 83 N 1.13 3.36 -0.25 4.11 2.47 -1.26 -2.20 119.74 127.10 1x0h s LYS 83 Ca 0.01 -0.18 -0.11 0.00 -1.56 0.00 0.00 55.97 54.12 1x0h s LYS 83 Cb -0.14 -4.04 -0.05 0.00 -1.46 0.00 0.00 37.83 32.14 1x0h s LYS 83 CO -0.03 -1.49 0.20 -0.51 0.16 0.00 0.00 175.35 173.69 1x0h s LEU 84 N 4.04 4.10 -1.76 5.43 1.43 0.87 -4.28 118.68 128.51 1x0h s LEU 84 Ca 0.32 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1x0h s LEU 84 Cb -0.12 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1x0h s LEU 84 CO 0.20 0.01 0.00 0.49 0.23 0.00 0.00 176.35 177.29 1x0h n PHE 85 N 4.52 -0.75 -2.47 0.29 3.72 -1.26 -1.38 117.46 120.13 1x0h n PHE 85 Ca -0.14 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.10 1x0h n PHE 85 Cb 0.52 -3.55 -0.01 0.00 -0.94 0.00 0.00 39.48 35.51 1x0h n PHE 85 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1x0h n ASP 86 N -1.68 -4.80 0.00 4.37 2.03 -1.26 -4.68 116.55 110.52 1x0h n ASP 86 Ca -0.21 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1x0h n ASP 86 Cb 0.65 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 1x0h n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x0h n ARG 87 N -2.96 0.00 -1.78 -0.67 1.74 -0.48 -4.96 116.66 107.55 1x0h n ARG 87 Ca -0.18 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.52 1x0h n ARG 87 Cb 0.64 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.13 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 -1.60 2.72 -0.06 7.54 0.00 -0.53 -2.25 121.76 127.58 1x0h s ALA 88 Ca 0.00 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1x0h s ALA 88 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1x0h s ALA 88 CO 0.00 -1.41 -0.12 0.15 0.00 0.00 0.00 175.76 174.38 1x0h s LYS 89 N -3.02 1.61 0.06 0.00 1.02 0.85 -0.09 119.74 120.16 1x0h s LYS 89 Ca 0.74 -0.41 0.05 0.00 0.02 0.00 0.00 55.97 56.38 1x0h s LYS 89 Cb -0.39 -1.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1x0h s LYS 89 CO 0.45 0.05 -0.15 0.08 -0.92 0.00 0.00 175.35 174.86 1x0h s VAL 90 N 0.59 1.20 -0.18 3.17 1.01 -0.94 -1.02 120.40 124.23 1x0h s VAL 90 Ca -0.13 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 1x0h s VAL 90 Cb -0.15 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1x0h s VAL 90 CO 0.03 -0.07 1.04 0.21 0.00 0.00 0.00 175.10 176.31 1x0h s ASN 91 N -1.43 7.15 0.36 3.32 3.84 0.11 -1.06 114.94 127.22 1x0h s ASN 91 Ca 0.01 1.46 0.15 0.00 0.21 0.00 0.00 52.86 54.69 1x0h s ASN 91 Cb -0.09 -2.55 0.66 0.00 -0.55 0.00 0.00 41.25 38.73 1x0h s ASN 91 CO 0.02 -0.59 1.75 0.58 -2.79 0.00 0.00 177.10 176.07 1x0h h VAL 92 N 5.31 1.13 0.00 -5.21 2.07 -1.36 0.88 116.25 119.07 1x0h h VAL 92 Ca -0.24 -1.54 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 1x0h h VAL 92 Cb 1.10 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1x0h h VAL 92 CO 0.93 0.41 -0.56 -1.13 0.02 0.00 0.00 177.57 177.24 1x0h h ASN 93 N 0.00 0.00 0.00 0.57 -0.73 -1.92 -3.09 115.58 110.41 1x0h h ASN 93 Ca -0.00 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 57.86 1x0h h ASN 93 Cb 0.84 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.37 1x0h h ASN 93 CO 0.05 0.56 -2.23 0.18 -0.37 0.00 0.00 177.43 175.63 1x0h n LEU 94 N -3.87 0.00 -0.24 0.34 4.77 -1.09 -4.03 117.00 112.88 1x0h n LEU 94 Ca -0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 1x0h n LEU 94 Cb 0.57 0.42 0.09 0.00 -2.33 0.00 0.00 43.42 42.16 1x0h n LEU 94 CO 0.41 0.42 1.12 0.25 -1.33 0.00 0.00 177.39 178.26 1x0h h LEU 95 N 0.00 0.66 -0.48 2.23 5.85 0.74 -1.12 115.31 123.18 1x0h h LEU 95 Ca -0.46 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.11 1x0h h LEU 95 Cb 2.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.92 1x0h h LEU 95 CO 0.03 0.44 -0.75 0.40 -0.34 0.00 0.00 178.44 178.22 1x0h h ILE 96 N 0.79 1.48 -0.32 4.05 2.04 -1.76 -2.96 117.51 120.84 1x0h h ILE 96 Ca 0.29 -2.41 -0.02 0.00 1.00 0.00 0.00 64.86 63.72 1x0h h ILE 96 Cb 0.09 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1x0h h ILE 96 CO -0.14 0.70 0.11 0.15 0.00 0.00 0.00 178.15 178.97 1x0h h PHE 97 N 0.08 0.50 0.12 1.37 3.57 -1.51 -0.19 116.94 120.87 1x0h h PHE 97 Ca -0.02 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1x0h h PHE 97 Cb 1.32 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1x0h h PHE 97 CO 0.02 0.49 -0.06 1.25 -2.23 0.00 0.00 178.31 177.78 1x0h h LEU 98 N 0.36 -0.13 -1.94 0.59 5.85 -1.26 -2.73 115.31 116.04 1x0h h LEU 98 Ca 0.10 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1x0h h LEU 98 Cb 0.22 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1x0h h LEU 98 CO -0.01 0.06 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.04 1x0h h LEU 99 N -0.32 0.00 -2.25 2.25 3.38 -1.49 0.45 115.31 117.33 1x0h h LEU 99 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x0h h LEU 99 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1x0h h LEU 99 CO 0.03 0.04 -0.01 -1.13 0.09 0.00 0.00 178.44 177.46 1x0h h ASN 100 N 0.00 0.00 0.00 -0.43 -0.73 -0.70 0.84 115.58 114.56 1x0h h ASN 100 Ca -0.00 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 1x0h h ASN 100 Cb 0.07 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 1x0h h ASN 100 CO 0.01 0.01 -1.65 1.17 -0.37 0.00 0.00 177.43 176.59 1x0h n LYS 101 N -4.10 1.92 0.00 6.67 4.81 -0.50 -4.19 118.16 122.77 1x0h n LYS 101 Ca -0.03 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1x0h n LYS 101 Cb 0.10 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1x0h n LYS 101 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x0h n LYS 102 N -2.27 0.00 -0.01 1.64 4.76 0.15 -4.57 118.16 117.86 1x0h n LYS 102 Ca -0.13 0.10 -0.17 0.00 -2.87 0.00 0.00 58.31 55.24 1x0h n LYS 102 Cb 0.71 -0.79 -0.12 0.00 -1.84 0.00 0.00 35.03 32.99 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 0.39 -1.06 2.13 0.04 -1.67 -3.43 116.94 113.35 1x0h h PHE 103 Ca 0.00 -0.23 -0.37 0.00 2.80 0.00 0.00 57.97 60.17 1x0h h PHE 103 Cb 0.00 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1x0h h PHE 103 CO 0.02 1.07 1.34 0.66 -0.60 0.00 0.00 178.31 180.80 1x0h n TYR 104 N -4.36 1.20 0.00 -0.55 4.02 0.24 -4.59 117.16 113.12 1x0h n TYR 104 Ca -0.11 0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1x0h n TYR 104 Cb 0.61 -2.51 0.00 0.00 -0.02 0.00 0.00 39.34 37.42 1x0h n TYR 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x0h n GLY 105 N 6.22 -1.95 2.69 2.72 0.00 -1.26 -4.35 105.19 109.26 1x0h n GLY 105 Ca 0.44 0.91 -0.22 0.00 0.00 0.00 0.00 46.02 47.15 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 0.00 -2.13 -1.57 1.61 4.76 -1.26 -5.03 118.16 114.54 1x0h n LYS 106 Ca 0.00 -1.37 0.02 0.00 -2.87 0.00 0.00 58.31 54.08 1x0h n LYS 106 Cb 0.00 -1.16 0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1x0h n LYS 106 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x0h n SER 107 N -4.18 0.65 -3.86 4.39 7.64 -1.26 -5.11 113.62 111.89 1x0h n SER 107 Ca 0.12 -2.01 -0.22 0.00 1.01 0.00 0.00 58.87 57.77 1x0h n SER 107 Cb 0.44 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 1x0h n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x0h n GLY 108 N 0.26 3.60 3.77 0.23 0.00 -1.26 -5.12 105.19 106.67 1x0h n GLY 108 Ca -0.00 -2.31 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 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 -3.31 3.58 -0.10 1.61 0.04 -1.26 -5.00 135.00 130.55 1x0h s PRO 109 Ca 0.04 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 1x0h s PRO 109 Cb -0.00 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1x0h s PRO 109 CO 0.02 -0.67 -0.23 0.45 0.04 0.00 0.00 177.00 176.61 1x0h n SER 110 N -0.89 1.45 -2.54 6.66 2.88 -1.26 -5.00 113.62 114.91 1x0h n SER 110 Ca 0.09 0.24 -0.21 0.00 -1.33 0.00 0.00 58.87 57.66 1x0h n SER 110 Cb 0.50 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1x0h n SER 110 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x0h n SER 111 N -3.94 -5.95 0.00 -3.46 2.88 -1.26 -5.31 113.62 96.57 1x0h n SER 111 Ca -0.09 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1x0h n SER 111 Cb 0.34 -4.90 0.00 0.00 -0.75 0.00 0.00 64.21 58.90 1x0h n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42