#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qmo s GLN 2 N 0.00 0.68 -0.12 0.00 0.74 -1.26 -5.16 119.66 114.54 1qmo s GLN 2 Ca 0.00 -0.03 -0.10 0.00 0.05 0.00 0.00 55.36 55.28 1qmo s GLN 2 Cb 0.00 0.31 0.04 0.00 1.10 0.00 0.00 33.01 34.45 1qmo s GLN 2 CO 0.00 -0.18 0.30 0.45 -0.55 0.00 0.00 175.29 175.31 1qmo s SER 3 N -1.08 -0.33 -0.02 6.67 0.15 -1.26 -5.12 113.70 112.71 1qmo s SER 3 Ca -0.11 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1qmo s SER 3 Cb -0.04 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1qmo s SER 3 CO 0.04 -0.12 -0.00 -0.22 1.20 0.00 0.00 173.24 174.14 1qmo s LEU 4 N 0.47 1.31 -0.09 3.45 2.96 -1.26 -5.14 118.68 120.38 1qmo s LEU 4 Ca -0.03 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1qmo s LEU 4 Cb -0.04 -0.20 0.04 0.00 0.50 0.00 0.00 46.19 46.49 1qmo s LEU 4 CO -0.02 -0.08 0.21 -0.55 -1.32 0.00 0.00 176.35 174.59 1qmo s SER 5 N 0.83 -0.21 0.01 3.68 0.15 -1.26 -5.09 113.70 111.81 1qmo s SER 5 Ca -0.08 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 56.99 1qmo s SER 5 Cb -0.11 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1qmo s SER 5 CO -0.01 -0.16 0.01 0.72 1.20 0.00 0.00 173.24 175.00 1qmo s PHE 6 N 1.23 0.18 -0.01 3.44 -0.12 -1.26 -5.16 117.98 116.29 1qmo s PHE 6 Ca -0.09 -0.37 0.02 0.00 -0.05 0.00 0.00 56.93 56.43 1qmo s PHE 6 Cb -0.11 -0.14 -0.00 0.00 -0.63 0.00 0.00 43.02 42.14 1qmo s PHE 6 CO -0.08 -0.19 -0.05 0.45 -0.05 0.00 0.00 175.22 175.30 1qmo s SER 7 N -1.28 0.66 -0.04 1.98 0.15 -1.26 -5.11 113.70 108.81 1qmo s SER 7 Ca -0.14 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1qmo s SER 7 Cb -0.08 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1qmo s SER 7 CO -0.00 0.06 -0.20 -0.36 1.20 0.00 0.00 173.24 173.94 1qmo s PHE 8 N -0.05 1.88 0.00 3.44 0.08 -1.26 -5.01 117.98 117.06 1qmo s PHE 8 Ca 0.01 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.57 1qmo s PHE 8 Cb -0.03 -1.24 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 1qmo s PHE 8 CO -0.00 -0.13 0.09 0.25 -0.10 0.00 0.00 175.22 175.32 1qmo n THR 9 N 2.93 0.00 -3.64 0.64 -2.24 -1.26 -5.05 114.28 105.66 1qmo n THR 9 Ca -0.17 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1qmo n THR 9 Cb 0.53 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.92 1qmo n THR 9 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qmo s LYS 10 N -0.27 1.01 -0.28 -0.78 3.01 -1.26 -5.08 119.74 116.08 1qmo s LYS 10 Ca 0.00 -0.53 0.03 0.00 -1.01 0.00 0.00 55.97 54.46 1qmo s LYS 10 Cb 0.00 0.45 0.08 0.00 -1.01 0.00 0.00 37.83 37.34 1qmo s LYS 10 CO 0.00 -0.37 -0.03 -0.06 0.51 0.00 0.00 175.35 175.39 1qmo s PHE 11 N -3.16 3.19 0.57 3.18 0.08 -0.38 -4.99 117.98 116.47 1qmo s PHE 11 Ca -0.01 -2.42 -0.19 0.00 0.12 0.00 0.00 56.93 54.43 1qmo s PHE 11 Cb 0.01 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 1qmo s PHE 11 CO -0.07 -0.88 1.21 -0.51 -0.10 0.00 0.00 175.22 174.86 1qmo s ASP 12 N 1.12 5.33 0.22 1.36 1.01 -1.26 -3.99 116.67 120.45 1qmo s ASP 12 Ca -0.01 2.38 -0.09 0.00 0.71 0.00 0.00 52.55 55.55 1qmo s ASP 12 Cb -0.19 -2.60 0.24 0.00 1.01 0.00 0.00 42.92 41.37 1qmo s ASP 12 CO -0.07 -1.50 1.84 -0.65 0.21 0.00 0.00 175.17 175.00 1qmo h PRO 13 N 1.05 0.84 -3.51 8.23 0.11 -1.98 -3.24 132.00 133.49 1qmo h PRO 13 Ca -0.50 -0.05 -0.75 0.00 0.11 0.00 0.00 66.00 64.81 1qmo h PRO 13 Cb 1.29 -0.19 -0.31 0.00 0.11 0.00 0.00 31.00 31.90 1qmo h PRO 13 CO 0.56 0.55 0.09 1.21 -0.21 0.00 0.00 178.00 180.20 1qmo s ASN 14 N -5.73 6.48 -1.23 -2.05 3.84 -1.26 -4.83 114.94 110.17 1qmo s ASN 14 Ca -0.13 -3.42 -0.11 0.00 0.21 0.00 0.00 52.86 49.41 1qmo s ASN 14 Cb 0.16 -2.05 0.18 0.00 -0.55 0.00 0.00 41.25 38.99 1qmo s ASN 14 CO 0.77 -0.30 1.62 1.67 -2.79 0.00 0.00 177.10 178.07 1qmo n GLN 15 N 2.84 3.56 0.22 0.43 -0.06 -1.23 -4.83 117.38 118.31 1qmo n GLN 15 Ca 0.20 -3.78 0.15 0.00 -2.00 0.00 0.00 57.00 51.56 1qmo n GLN 15 Cb 0.39 -2.93 0.61 0.00 -4.06 0.00 0.00 30.24 24.25 1qmo n GLN 15 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1qmo h GLU 16 N 6.40 0.00 -0.87 3.69 4.39 -1.93 -1.65 114.58 124.61 1qmo h GLU 16 Ca 0.34 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 59.63 1qmo h GLU 16 Cb 0.75 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.16 1qmo h GLU 16 CO 1.41 0.00 0.49 -0.40 -1.16 0.00 0.00 179.01 179.34 1qmo n ASP 17 N -3.05 3.97 -4.04 1.42 5.75 -1.26 -4.90 116.55 114.43 1qmo n ASP 17 Ca 0.03 -3.51 -0.09 0.00 -0.01 0.00 0.00 54.79 51.22 1qmo n ASP 17 Cb 0.66 -0.80 -0.11 0.00 -1.03 0.00 0.00 41.12 39.85 1qmo n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1qmo s LEU 18 N -3.21 2.36 -0.06 -2.12 1.43 -0.62 -2.74 118.68 113.73 1qmo s LEU 18 Ca 0.55 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1qmo s LEU 18 Cb 0.46 0.11 -0.03 0.00 0.03 0.00 0.00 46.19 46.77 1qmo s LEU 18 CO 0.11 -0.43 -0.12 -0.63 0.23 0.00 0.00 176.35 175.50 1qmo s ILE 19 N -2.63 3.22 -0.09 -0.59 1.01 0.87 -4.80 121.20 118.18 1qmo s ILE 19 Ca -0.04 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1qmo s ILE 19 Cb -0.01 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1qmo s ILE 19 CO -0.05 0.59 -0.17 -0.36 0.00 0.00 0.00 174.94 174.95 1qmo s PHE 20 N -0.72 2.68 -0.02 3.97 0.40 -1.26 -1.64 117.98 121.37 1qmo s PHE 20 Ca 0.11 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 1qmo s PHE 20 Cb -0.11 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.71 1qmo s PHE 20 CO 0.01 -0.14 -0.03 -0.65 0.70 0.00 0.00 175.22 175.11 1qmo s GLN 21 N -0.02 0.48 2.67 0.44 -0.21 -0.59 -5.02 119.66 117.42 1qmo s GLN 21 Ca -0.05 -0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.27 1qmo s GLN 21 Cb -0.14 -0.54 0.00 0.00 1.00 0.00 0.00 33.01 33.32 1qmo s GLN 21 CO 0.04 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 1qmo n GLY 22 N 3.71 -0.68 0.16 3.09 0.00 -1.26 -0.34 105.19 109.86 1qmo n GLY 22 Ca -0.22 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 44.66 1qmo n GLY 22 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qmo n HIS 23 N 0.00 0.10 -1.98 1.61 8.25 -0.09 -4.87 115.22 118.23 1qmo n HIS 23 Ca 0.00 -0.05 -0.41 0.00 -0.26 0.00 0.00 57.72 57.00 1qmo n HIS 23 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1qmo n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qmo s ALA 24 N -1.90 3.59 0.00 -1.41 0.00 -1.24 -3.96 121.76 116.83 1qmo s ALA 24 Ca 0.14 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1qmo s ALA 24 Cb 0.07 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1qmo s ALA 24 CO 0.10 -0.79 0.00 0.25 0.00 0.00 0.00 175.76 175.32 1qmo n THR 25 N 1.53 0.00 -3.69 0.00 -2.24 0.02 -4.77 114.28 105.12 1qmo n THR 25 Ca 0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1qmo n THR 25 Cb 0.40 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1qmo n THR 25 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qmo s SER 26 N -0.26 -0.58 0.10 3.42 1.04 -1.26 -0.58 113.70 115.57 1qmo s SER 26 Ca 0.00 1.05 -0.21 0.00 0.48 0.00 0.00 55.95 57.27 1qmo s SER 26 Cb 0.00 0.99 0.05 0.00 0.10 0.00 0.00 66.02 67.17 1qmo s SER 26 CO 0.00 -0.19 0.50 0.42 0.98 0.00 0.00 173.24 174.95 1qmo s THR 27 N 0.84 0.03 -1.07 2.02 -4.23 -0.98 -4.67 115.64 107.59 1qmo s THR 27 Ca -0.05 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1qmo s THR 27 Cb -0.05 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.76 1qmo s THR 27 CO -0.07 -0.15 0.06 0.59 -0.54 0.00 0.00 174.62 174.51 1qmo n ASN 28 N 0.03 -3.88 -0.20 3.99 5.03 -1.26 -1.38 115.26 117.59 1qmo n ASN 28 Ca -0.17 0.13 -0.03 0.00 0.87 0.00 0.00 54.58 55.38 1qmo n ASN 28 Cb 0.62 -3.29 -0.01 0.00 -1.02 0.00 0.00 39.78 36.09 1qmo n ASN 28 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1qmo n ASN 29 N -1.86 -4.28 -4.52 6.41 3.02 -1.26 -4.98 115.26 107.79 1qmo n ASN 29 Ca -0.13 0.06 -0.25 0.00 -0.03 0.00 0.00 54.58 54.24 1qmo n ASN 29 Cb 0.60 -2.01 -0.11 0.00 -0.61 0.00 0.00 39.78 37.66 1qmo n ASN 29 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1qmo s VAL 30 N -1.77 1.88 -0.32 2.41 -7.23 -0.48 -1.25 120.40 113.64 1qmo s VAL 30 Ca 0.00 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 57.93 1qmo s VAL 30 Cb 0.00 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1qmo s VAL 30 CO 0.00 -0.16 0.29 -0.22 -0.31 0.00 0.00 175.10 174.70 1qmo s LEU 31 N -3.57 4.34 -0.89 1.32 2.96 -1.26 -2.33 118.68 119.25 1qmo s LEU 31 Ca 0.33 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.95 1qmo s LEU 31 Cb 0.05 -2.23 0.23 0.00 0.50 0.00 0.00 46.19 44.74 1qmo s LEU 31 CO 0.15 -0.23 0.82 -1.10 -1.32 0.00 0.00 176.35 174.67 1qmo s GLN 32 N 1.87 3.55 0.00 1.98 -1.52 0.25 -4.87 119.66 120.93 1qmo s GLN 32 Ca 0.09 -2.86 0.11 0.00 -1.95 0.00 0.00 55.36 50.75 1qmo s GLN 32 Cb -0.17 -4.26 0.49 0.00 -0.22 0.00 0.00 33.01 28.85 1qmo s GLN 32 CO 0.11 -1.25 1.32 1.33 -0.25 0.00 0.00 175.29 176.55 1qmo n VAL 33 N 3.19 1.12 -4.80 1.09 0.24 -1.26 -0.80 118.33 117.10 1qmo n VAL 33 Ca 0.17 0.28 -0.25 0.00 -2.04 0.00 0.00 64.34 62.50 1qmo n VAL 33 Cb 0.41 -1.09 -0.16 0.00 -1.47 0.00 0.00 33.84 31.53 1qmo n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1qmo s THR 34 N -2.89 1.37 0.85 3.34 2.01 -1.26 -1.85 115.64 117.21 1qmo s THR 34 Ca 0.07 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 1qmo s THR 34 Cb 0.07 -1.17 -0.07 0.00 0.01 0.00 0.00 72.50 71.34 1qmo s THR 34 CO 0.19 0.40 -0.04 2.29 -0.69 0.00 0.00 174.62 176.77 1qmo n LYS 35 N 3.04 -0.00 -3.97 4.92 -0.00 -1.25 -4.90 118.16 115.99 1qmo n LYS 35 Ca -0.17 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.04 1qmo n LYS 35 Cb 0.53 -1.45 -0.13 0.00 -0.00 0.00 0.00 35.03 33.98 1qmo n LYS 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1qmo s LEU 36 N 2.98 2.11 0.24 -5.58 1.43 -1.26 -3.77 118.68 114.84 1qmo s LEU 36 Ca 0.53 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 1qmo s LEU 36 Cb -0.27 -0.02 -0.10 0.00 0.03 0.00 0.00 46.19 45.83 1qmo s LEU 36 CO 0.70 -0.12 1.40 -0.62 0.23 0.00 0.00 176.35 177.94 1qmo s ASP 37 N -0.71 6.72 0.00 2.29 2.15 0.28 -4.82 116.67 122.58 1qmo s ASP 37 Ca -0.06 2.60 0.00 0.00 0.43 0.00 0.00 52.55 55.52 1qmo s ASP 37 Cb -0.05 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1qmo s ASP 37 CO -0.00 -0.64 0.32 -1.54 -0.17 0.00 0.00 175.17 173.14 1qmo n SER 38 N 2.26 0.00 -0.07 -0.34 3.41 -1.26 0.29 113.62 117.91 1qmo n SER 38 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.72 1qmo n SER 38 Cb 0.41 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 1qmo n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qmo n ALA 39 N -0.81 3.24 -0.14 7.33 0.00 -1.26 -4.98 120.51 123.88 1qmo n ALA 39 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1qmo n ALA 39 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1qmo n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qmo n GLY 40 N 1.16 1.55 3.55 0.00 0.00 0.82 -5.10 105.19 107.16 1qmo n GLY 40 Ca 0.03 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1qmo n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qmo s ASN 41 N -2.08 4.35 0.49 1.61 0.01 -1.20 -4.83 114.94 113.29 1qmo s ASN 41 Ca 0.00 -0.25 -0.23 0.00 -0.71 0.00 0.00 52.86 51.67 1qmo s ASN 41 Cb 0.00 -0.92 -0.07 0.00 0.41 0.00 0.00 41.25 40.68 1qmo s ASN 41 CO 0.00 0.27 1.31 -2.16 -1.51 0.00 0.00 177.10 175.01 1qmo s PRO 42 N -1.48 3.52 0.46 -0.60 0.04 -1.26 0.98 135.00 136.66 1qmo s PRO 42 Ca 0.17 2.14 0.07 0.00 0.04 0.00 0.00 61.00 63.41 1qmo s PRO 42 Cb -0.11 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.98 1qmo s PRO 42 CO 0.07 -0.85 0.33 0.08 0.04 0.00 0.00 177.00 176.67 1qmo s VAL 43 N -1.34 2.20 0.17 -0.36 1.01 -1.25 -4.77 120.40 116.07 1qmo s VAL 43 Ca 0.65 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1qmo s VAL 43 Cb -0.38 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1qmo s VAL 43 CO 0.46 0.00 0.28 -0.44 0.00 0.00 0.00 175.10 175.40 1qmo s SER 44 N -4.12 6.23 -1.29 3.32 0.01 -1.26 -4.61 113.70 111.99 1qmo s SER 44 Ca 0.41 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.75 1qmo s SER 44 Cb -0.01 -1.84 0.01 0.00 0.21 0.00 0.00 66.02 64.39 1qmo s SER 44 CO 0.24 0.03 0.98 -1.20 0.41 0.00 0.00 173.24 173.70 1qmo n SER 45 N -0.71 -3.08 -4.49 2.44 7.64 -1.26 -5.01 113.62 109.15 1qmo n SER 45 Ca -0.08 -0.66 -0.31 0.00 1.01 0.00 0.00 58.87 58.84 1qmo n SER 45 Cb 0.55 -4.79 -0.12 0.00 -1.01 0.00 0.00 64.21 58.84 1qmo n SER 45 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1qmo s SER 46 N -4.04 3.99 -0.03 6.43 0.15 -1.26 -5.01 113.70 113.92 1qmo s SER 46 Ca 0.19 -0.35 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 1qmo s SER 46 Cb -0.09 -0.72 0.03 0.00 -1.71 0.00 0.00 66.02 63.53 1qmo s SER 46 CO 0.75 0.27 0.02 0.00 1.20 0.00 0.00 173.24 175.48 1qmo s ALA 47 N -0.93 0.27 -0.01 5.45 0.00 -1.26 -4.67 121.76 120.62 1qmo s ALA 47 Ca 0.15 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1qmo s ALA 47 Cb -0.11 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1qmo s ALA 47 CO 0.06 -0.21 -0.02 0.20 0.00 0.00 0.00 175.76 175.79 1qmo s GLY 48 N 1.38 0.12 0.02 0.00 0.00 -0.77 -0.91 107.32 107.16 1qmo s GLY 48 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.63 1qmo s GLY 48 CO -0.03 0.03 -0.04 0.50 0.00 0.00 0.00 173.10 173.57 1qmo s ARG 49 N 0.11 0.33 -0.02 2.90 0.52 0.53 -4.85 118.95 118.47 1qmo s ARG 49 Ca -0.01 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.67 1qmo s ARG 49 Cb -0.03 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.43 1qmo s ARG 49 CO -0.00 -0.02 -0.09 0.08 0.02 0.00 0.00 175.30 175.29 1qmo s VAL 50 N -1.22 0.75 -0.02 3.52 1.01 -1.26 -1.54 120.40 121.64 1qmo s VAL 50 Ca -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1qmo s VAL 50 Cb -0.09 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1qmo s VAL 50 CO -0.01 0.23 -0.12 -0.76 0.00 0.00 0.00 175.10 174.45 1qmo s LEU 51 N 0.12 1.90 0.09 3.92 1.43 -0.65 -4.93 118.68 120.57 1qmo s LEU 51 Ca -0.02 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.53 1qmo s LEU 51 Cb -0.08 -0.68 -0.07 0.00 0.03 0.00 0.00 46.19 45.39 1qmo s LEU 51 CO 0.00 0.12 1.38 -0.47 0.23 0.00 0.00 176.35 177.61 1qmo s TYR 52 N -0.03 3.18 0.14 0.29 5.04 -1.26 -0.09 117.35 124.62 1qmo s TYR 52 Ca -0.00 0.94 -0.27 0.00 -2.44 0.00 0.00 57.07 55.30 1qmo s TYR 52 Cb -0.08 -3.67 -0.06 0.00 0.35 0.00 0.00 41.96 38.51 1qmo s TYR 52 CO 0.00 -2.34 1.38 0.43 -1.34 0.00 0.00 175.55 173.68 1qmo n SER 53 N 4.19 -0.92 -4.77 4.32 7.64 -1.11 -4.61 113.62 118.36 1qmo n SER 53 Ca 0.12 1.59 -0.39 0.00 1.01 0.00 0.00 58.87 61.20 1qmo n SER 53 Cb 0.43 -0.23 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1qmo n SER 53 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qmo s ALA 54 N -5.37 3.24 0.81 -0.43 0.00 -1.26 -5.02 121.76 113.72 1qmo s ALA 54 Ca -0.10 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1qmo s ALA 54 Cb 0.10 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.88 1qmo s ALA 54 CO 0.54 -0.57 1.10 -2.14 0.00 0.00 0.00 175.76 174.68 1qmo s PRO 55 N -2.15 1.97 -0.03 0.00 0.02 -1.26 -5.06 135.00 128.48 1qmo s PRO 55 Ca 0.55 0.66 0.01 0.00 0.02 0.00 0.00 61.00 62.24 1qmo s PRO 55 Cb -0.33 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.30 1qmo s PRO 55 CO 0.43 -1.71 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.19 1qmo s LEU 56 N -5.84 1.35 -0.16 -5.54 2.96 -1.26 -5.12 118.68 105.08 1qmo s LEU 56 Ca 0.61 -0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 54.14 1qmo s LEU 56 Cb -0.15 -0.34 -0.00 0.00 0.50 0.00 0.00 46.19 46.20 1qmo s LEU 56 CO 0.55 -0.06 1.02 -0.60 -1.32 0.00 0.00 176.35 175.94 1qmo s ARG 57 N 0.82 4.35 -0.19 1.98 6.06 -1.26 -4.90 118.95 125.82 1qmo s ARG 57 Ca -0.10 1.38 0.16 0.00 -2.50 0.00 0.00 55.73 54.68 1qmo s ARG 57 Cb -0.13 -3.58 -0.23 0.00 0.06 0.00 0.00 34.95 31.07 1qmo s ARG 57 CO -0.01 -0.45 0.06 -0.11 -2.50 0.00 0.00 175.30 172.29 1qmo n LEU 58 N 5.57 0.09 -3.70 -0.88 -0.00 -1.26 -5.04 117.00 111.78 1qmo n LEU 58 Ca 0.10 -0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.01 1qmo n LEU 58 Cb 0.48 0.43 -0.03 0.00 -0.00 0.00 0.00 43.42 44.29 1qmo n LEU 58 CO 0.52 0.48 0.35 0.86 -0.00 0.00 0.00 177.39 179.60 1qmo s TRP 59 N -2.46 -0.22 -0.23 1.96 -0.11 -1.26 -4.84 118.94 111.78 1qmo s TRP 59 Ca -0.10 -0.12 -0.26 0.00 1.22 0.00 0.00 56.10 56.84 1qmo s TRP 59 Cb 0.06 0.51 0.07 0.00 -1.50 0.00 0.00 33.47 32.61 1qmo s TRP 59 CO 0.77 -0.99 0.74 -2.00 -4.62 0.00 0.00 176.95 170.85 1qmo s GLU 60 N -3.86 0.85 0.00 5.86 2.12 -1.26 -5.08 118.70 117.32 1qmo s GLU 60 Ca 0.08 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1qmo s GLU 60 Cb -0.02 0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1qmo s GLU 60 CO -0.02 -0.13 0.71 -0.25 -0.54 0.00 0.00 175.26 175.02 1qmo n ASP 61 N 2.35 0.00 -3.68 -1.70 9.92 -1.26 -1.35 116.55 120.84 1qmo n ASP 61 Ca -0.15 0.71 -0.41 0.00 -0.53 0.00 0.00 54.79 54.41 1qmo n ASP 61 Cb 0.55 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1qmo n ASP 61 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1qmo n SER 62 N -2.63 6.70 -3.84 -2.24 2.88 -1.26 -4.90 113.62 108.32 1qmo n SER 62 Ca 0.00 -3.17 -0.14 0.00 -1.33 0.00 0.00 58.87 54.23 1qmo n SER 62 Cb 0.00 -1.40 -0.15 0.00 -0.75 0.00 0.00 64.21 61.91 1qmo n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qmo s ALA 63 N -0.74 0.11 -0.39 -1.46 0.00 -0.45 -5.10 121.76 113.72 1qmo s ALA 63 Ca 0.46 0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.60 1qmo s ALA 63 Cb 0.14 -0.13 0.25 0.00 0.00 0.00 0.00 23.12 23.37 1qmo s ALA 63 CO -0.04 -0.03 0.52 1.33 0.00 0.00 0.00 175.76 177.54 1qmo n VAL 64 N 3.56 -0.65 0.00 0.00 0.24 -1.26 -4.80 118.33 115.42 1qmo n VAL 64 Ca -0.19 -4.02 0.00 0.00 -2.04 0.00 0.00 64.34 58.08 1qmo n VAL 64 Cb 0.55 -1.96 0.00 0.00 -1.47 0.00 0.00 33.84 30.96 1qmo n VAL 64 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1qmo n LEU 65 N 1.42 0.00 -3.78 1.34 0.00 -1.26 -5.17 117.00 109.55 1qmo n LEU 65 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 56.10 1qmo n LEU 65 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.82 1qmo n LEU 65 CO 0.18 0.00 -0.16 0.28 0.00 0.00 0.00 177.39 177.69 1qmo s THR 66 N 0.00 -0.02 -0.06 1.96 -1.32 -1.26 -5.08 115.64 109.86 1qmo s THR 66 Ca 0.00 0.07 -0.12 0.00 -1.21 0.00 0.00 61.69 60.42 1qmo s THR 66 Cb 0.00 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.73 1qmo s THR 66 CO 0.00 0.03 0.30 -0.94 -2.21 0.00 0.00 174.62 171.79 1qmo s SER 67 N 0.57 -0.24 -0.02 8.08 1.04 -1.26 -5.16 113.70 116.71 1qmo s SER 67 Ca -0.04 0.32 -0.05 0.00 0.48 0.00 0.00 55.95 56.67 1qmo s SER 67 Cb -0.05 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1qmo s SER 67 CO -0.03 -0.28 0.11 0.72 0.98 0.00 0.00 173.24 174.74 1qmo s PHE 68 N -0.61 -0.03 -0.02 5.02 -0.12 -1.26 -5.09 117.98 115.86 1qmo s PHE 68 Ca -0.07 0.09 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1qmo s PHE 68 Cb -0.04 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.35 1qmo s PHE 68 CO 0.02 -0.15 -0.04 -0.51 -0.05 0.00 0.00 175.22 174.49 1qmo s ASP 69 N -0.56 0.71 -0.04 1.98 1.11 -1.26 -5.15 116.67 113.46 1qmo s ASP 69 Ca -0.06 -0.10 -0.05 0.00 0.18 0.00 0.00 52.55 52.52 1qmo s ASP 69 Cb -0.04 -0.23 0.01 0.00 1.07 0.00 0.00 42.92 43.73 1qmo s ASP 69 CO 0.00 -0.00 0.13 0.28 1.18 0.00 0.00 175.17 176.76 1qmo s THR 70 N 0.42 0.02 0.01 -1.27 -1.32 -1.26 -5.10 115.64 107.15 1qmo s THR 70 Ca -0.05 -0.18 0.07 0.00 -1.21 0.00 0.00 61.69 60.33 1qmo s THR 70 Cb -0.09 -0.24 -0.02 0.00 -1.51 0.00 0.00 72.50 70.64 1qmo s THR 70 CO -0.00 -0.10 -0.23 0.27 -2.21 0.00 0.00 174.62 172.35 1qmo s ILE 71 N -0.28 1.81 -0.00 5.08 -5.25 -1.26 -5.13 121.20 116.17 1qmo s ILE 71 Ca -0.04 -1.09 0.03 0.00 -0.99 0.00 0.00 60.65 58.56 1qmo s ILE 71 Cb -0.03 -1.53 -0.01 0.00 2.95 0.00 0.00 42.46 43.85 1qmo s ILE 71 CO 0.00 0.41 -0.08 -0.63 -1.79 0.00 0.00 174.94 172.85 1qmo s ILE 72 N -0.64 0.66 -0.15 8.37 1.01 -1.26 -5.10 121.20 124.09 1qmo s ILE 72 Ca 0.09 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1qmo s ILE 72 Cb -0.09 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1qmo s ILE 72 CO 0.00 0.14 -0.16 0.20 0.00 0.00 0.00 174.94 175.12 1qmo s ASN 73 N -0.31 2.79 0.07 3.58 0.02 -1.26 -5.10 114.94 114.72 1qmo s ASN 73 Ca 0.02 -0.53 -0.02 0.00 -1.02 0.00 0.00 52.86 51.32 1qmo s ASN 73 Cb -0.04 -1.26 -0.04 0.00 0.02 0.00 0.00 41.25 39.94 1qmo s ASN 73 CO -0.00 -0.02 0.00 0.72 0.02 0.00 0.00 177.10 177.82 1qmo s PHE 74 N 1.31 0.54 -0.07 2.20 -0.12 -1.26 -5.10 117.98 115.49 1qmo s PHE 74 Ca 0.02 -1.05 -0.00 0.00 -0.05 0.00 0.00 56.93 55.85 1qmo s PHE 74 Cb -0.13 -0.37 0.03 0.00 -0.63 0.00 0.00 43.02 41.91 1qmo s PHE 74 CO -0.09 -0.42 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.64 1qmo s GLU 75 N -3.93 0.76 -0.25 1.99 2.12 -1.26 -5.11 118.70 113.02 1qmo s GLU 75 Ca 0.09 0.00 -0.04 0.00 0.36 0.00 0.00 54.97 55.39 1qmo s GLU 75 Cb 0.08 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.50 1qmo s GLU 75 CO -0.08 -0.22 -0.02 0.42 -0.54 0.00 0.00 175.26 174.82 1qmo s ILE 76 N 1.57 3.29 0.08 -3.70 1.01 -1.26 -5.08 121.20 117.11 1qmo s ILE 76 Ca -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 1qmo s ILE 76 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1qmo s ILE 76 CO -0.04 0.23 -0.00 -0.94 0.00 0.00 0.00 174.94 174.19 1qmo s SER 77 N 1.41 0.48 -0.18 3.58 1.04 -1.26 -5.16 113.70 113.62 1qmo s SER 77 Ca 0.02 -1.07 -0.12 0.00 0.48 0.00 0.00 55.95 55.27 1qmo s SER 77 Cb -0.16 0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.24 1qmo s SER 77 CO -0.02 -0.63 0.44 0.28 0.98 0.00 0.00 173.24 174.29 1qmo s THR 78 N -3.94 -0.02 0.11 2.02 -1.32 -1.26 -5.00 115.64 106.23 1qmo s THR 78 Ca 0.13 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.68 1qmo s THR 78 Cb 0.08 -0.65 -0.23 0.00 -1.51 0.00 0.00 72.50 70.19 1qmo s THR 78 CO -0.06 0.02 1.23 1.55 -2.21 0.00 0.00 174.62 175.16 1qmo h PRO 79 N 6.65 0.14 0.00 7.08 0.13 -2.00 -3.46 132.00 140.54 1qmo h PRO 79 Ca -0.34 -0.23 -0.38 0.00 -0.87 0.00 0.00 66.00 64.19 1qmo h PRO 79 Cb 1.19 0.08 0.20 0.00 0.13 0.00 0.00 31.00 32.60 1qmo h PRO 79 CO 0.26 1.09 -0.00 0.66 -0.23 0.00 0.00 178.00 179.78 1qmo n TYR 80 N -3.47 -3.84 0.11 1.56 4.01 -1.26 -5.00 117.16 109.27 1qmo n TYR 80 Ca -0.04 -0.91 0.01 0.00 -0.16 0.00 0.00 57.90 56.81 1qmo n TYR 80 Cb 0.96 -1.17 0.01 0.00 -0.31 0.00 0.00 39.34 38.83 1qmo n TYR 80 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1qmo n THR 81 N -5.24 0.00 -1.32 -0.72 -2.24 -1.26 -5.04 114.28 98.47 1qmo n THR 81 Ca 0.14 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 1qmo n THR 81 Cb 0.58 1.06 0.17 0.00 -2.10 0.00 0.00 70.33 70.04 1qmo n THR 81 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qmo n SER 82 N 0.11 -0.80 -4.79 3.42 3.41 -1.26 -5.01 113.62 108.71 1qmo n SER 82 Ca 0.02 -1.18 -0.34 0.00 -0.26 0.00 0.00 58.87 57.10 1qmo n SER 82 Cb 0.07 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 1qmo n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qmo s ARG 83 N -4.99 3.57 -0.10 4.33 1.04 -1.26 -5.03 118.95 116.51 1qmo s ARG 83 Ca 0.54 1.41 -0.06 0.00 -1.04 0.00 0.00 55.73 56.58 1qmo s ARG 83 Cb -0.03 -2.06 -0.04 0.00 -2.04 0.00 0.00 34.95 30.78 1qmo s ARG 83 CO 0.39 -0.63 0.13 0.96 -0.04 0.00 0.00 175.30 176.11 1qmo s ILE 84 N -2.00 5.38 0.04 4.99 -0.00 -1.26 -5.09 121.20 123.25 1qmo s ILE 84 Ca 0.68 0.11 -0.08 0.00 -0.00 0.00 0.00 60.65 61.37 1qmo s ILE 84 Cb -0.19 -3.36 -0.00 0.00 -0.00 0.00 0.00 42.46 38.92 1qmo s ILE 84 CO 0.25 0.58 0.16 0.00 -0.00 0.00 0.00 174.94 175.93 1qmo s ALA 85 N -1.05 -0.24 0.08 2.27 0.00 -1.26 -5.00 121.76 116.55 1qmo s ALA 85 Ca 0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1qmo s ALA 85 Cb -0.12 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1qmo s ALA 85 CO 0.06 -0.36 -0.01 -0.25 0.00 0.00 0.00 175.76 175.20 1qmo n ASP 86 N 0.65 0.93 -3.65 0.00 8.00 -1.26 -5.12 116.55 116.09 1qmo n ASP 86 Ca -0.19 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.33 1qmo n ASP 86 Cb 0.59 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1qmo n ASP 86 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qmo s GLY 87 N -3.84 -0.23 -0.04 0.44 0.00 -1.26 -5.01 107.32 97.39 1qmo s GLY 87 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.68 1qmo s GLY 87 CO 0.01 -0.24 -0.14 -2.27 0.00 0.00 0.00 173.10 170.46 1qmo s LEU 88 N -2.83 1.87 0.02 0.66 2.96 -1.26 -4.96 118.68 115.15 1qmo s LEU 88 Ca 0.06 -0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 1qmo s LEU 88 Cb 0.00 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 1qmo s LEU 88 CO -0.08 0.12 -0.02 0.00 -1.32 0.00 0.00 176.35 175.06 1qmo s ALA 89 N 0.09 0.14 -0.14 5.97 0.00 -1.26 -5.12 121.76 121.44 1qmo s ALA 89 Ca -0.04 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1qmo s ALA 89 Cb -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1qmo s ALA 89 CO 0.02 -0.20 -0.16 0.12 0.00 0.00 0.00 175.76 175.54 1qmo s PHE 90 N -1.82 2.75 0.05 0.00 5.36 -1.26 -5.10 117.98 117.97 1qmo s PHE 90 Ca -0.13 -0.91 0.00 0.00 -0.96 0.00 0.00 56.93 54.94 1qmo s PHE 90 Cb -0.07 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 1qmo s PHE 90 CO -0.02 -0.37 -0.04 -0.59 -1.46 0.00 0.00 175.22 172.73 1qmo s PHE 91 N 0.57 0.53 -0.10 10.12 -0.71 -1.26 -5.13 117.98 122.00 1qmo s PHE 91 Ca -0.10 -0.78 0.01 0.00 -1.04 0.00 0.00 56.93 55.02 1qmo s PHE 91 Cb -0.16 -0.35 0.02 0.00 -1.21 0.00 0.00 43.02 41.32 1qmo s PHE 91 CO 0.04 -0.23 -0.10 -1.50 -1.34 0.00 0.00 175.22 172.09 1qmo s ILE 92 N -2.68 1.09 0.05 -4.49 2.07 -1.26 -5.12 121.20 110.86 1qmo s ILE 92 Ca -0.02 -0.37 -0.06 0.00 -1.41 0.00 0.00 60.65 58.78 1qmo s ILE 92 Cb -0.01 -1.06 -0.01 0.00 0.13 0.00 0.00 42.46 41.51 1qmo s ILE 92 CO -0.05 0.37 0.12 0.00 -1.91 0.00 0.00 174.94 173.47 1qmo s ALA 93 N 1.30 -0.07 0.29 1.50 0.00 -1.26 -5.13 121.76 118.39 1qmo s ALA 93 Ca -0.02 -0.63 -0.28 0.00 0.00 0.00 0.00 51.96 51.03 1qmo s ALA 93 Cb -0.14 0.33 -0.14 0.00 0.00 0.00 0.00 23.12 23.17 1qmo s ALA 93 CO -0.04 -0.39 0.94 -2.30 0.00 0.00 0.00 175.76 173.97 1qmo n PRO 94 N 0.41 1.19 -0.30 0.00 -0.02 -1.26 -4.82 135.00 130.20 1qmo n PRO 94 Ca -0.17 0.42 0.29 0.00 -2.02 0.00 0.00 63.50 62.02 1qmo n PRO 94 Cb 0.60 -1.76 0.54 0.00 -0.02 0.00 0.00 33.50 32.86 1qmo n PRO 94 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qmo n PRO 95 N 0.71 -0.06 -0.11 0.52 -0.04 -1.26 -0.49 135.00 134.27 1qmo n PRO 95 Ca 0.10 1.29 0.06 0.00 -0.04 0.00 0.00 63.50 64.92 1qmo n PRO 95 Cb 0.32 -2.31 0.20 0.00 -0.04 0.00 0.00 33.50 31.67 1qmo n PRO 95 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qmo n ASP 96 N -5.12 1.30 -4.64 3.54 5.75 -1.26 -4.94 116.55 111.17 1qmo n ASP 96 Ca 0.35 -1.89 -0.44 0.00 -0.01 0.00 0.00 54.79 52.80 1qmo n ASP 96 Cb 1.18 -0.14 -0.01 0.00 -1.03 0.00 0.00 41.12 41.12 1qmo n ASP 96 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1qmo n SER 97 N 0.17 1.96 -4.30 -1.12 2.88 0.35 -5.00 113.62 108.55 1qmo n SER 97 Ca 0.11 1.19 -0.24 0.00 -1.33 0.00 0.00 58.87 58.60 1qmo n SER 97 Cb 0.22 -1.38 -0.12 0.00 -0.75 0.00 0.00 64.21 62.18 1qmo n SER 97 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1qmo s VAL 98 N -1.08 1.76 0.37 2.46 -7.23 -1.26 -5.08 120.40 110.35 1qmo s VAL 98 Ca 0.57 -1.61 -0.26 0.00 -1.81 0.00 0.00 61.98 58.87 1qmo s VAL 98 Cb -0.64 -1.62 -0.12 0.00 0.56 0.00 0.00 36.38 34.56 1qmo s VAL 98 CO 0.61 -0.09 1.11 0.00 -0.31 0.00 0.00 175.10 176.42 1qmo n ILE 99 N 0.96 2.26 -3.05 -0.62 3.06 -1.26 -4.98 119.36 115.72 1qmo n ILE 99 Ca -0.19 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.56 1qmo n ILE 99 Cb 0.54 -1.27 0.00 0.00 0.54 0.00 0.00 39.64 39.45 1qmo n ILE 99 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1qmo n SER 100 N 0.68 1.25 -4.70 9.51 2.88 -0.73 -5.01 113.62 117.50 1qmo n SER 100 Ca 0.08 -0.42 -0.35 0.00 -1.33 0.00 0.00 58.87 56.84 1qmo n SER 100 Cb 0.37 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.93 1qmo n SER 100 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1qmo n TYR 101 N -0.16 1.55 -0.26 0.66 4.02 -1.24 -4.38 117.16 117.35 1qmo n TYR 101 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 1qmo n TYR 101 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 39.34 37.14 1qmo n TYR 101 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1qmo n HIS 102 N -2.58 0.00 -4.64 -0.72 1.44 -1.26 -1.06 115.22 106.40 1qmo n HIS 102 Ca 0.15 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.86 1qmo n HIS 102 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1qmo n HIS 102 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1qmo n GLY 103 N 5.00 1.28 0.23 -1.39 0.00 -1.26 -2.14 105.19 106.91 1qmo n GLY 103 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1qmo n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qmo n GLY 104 N 0.00 0.09 0.07 -0.02 0.00 -1.26 -2.54 105.19 101.54 1qmo n GLY 104 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1qmo n GLY 104 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qmo n PHE 105 N -0.21 0.59 -3.16 1.61 3.72 -0.91 -4.99 117.46 114.12 1qmo n PHE 105 Ca 0.00 0.17 -0.23 0.00 -0.05 0.00 0.00 57.45 57.34 1qmo n PHE 105 Cb 0.08 -0.78 0.04 0.00 -0.94 0.00 0.00 39.48 37.88 1qmo n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1qmo n LEU 106 N -2.51 -2.77 -1.82 4.37 4.77 -1.05 -1.80 117.00 116.20 1qmo n LEU 106 Ca -0.02 -0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.54 1qmo n LEU 106 Cb 0.56 -2.95 -0.02 0.00 -2.33 0.00 0.00 43.42 38.67 1qmo n LEU 106 CO 0.42 0.31 -0.09 0.61 -1.33 0.00 0.00 177.39 177.32 1qmo n GLY 107 N -1.61 0.16 0.09 -0.72 0.00 -0.22 -4.74 105.19 98.15 1qmo n GLY 107 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1qmo n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qmo n LEU 108 N -2.09 2.97 -4.25 0.99 4.77 -0.74 -1.77 117.00 116.88 1qmo n LEU 108 Ca -0.09 -0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.61 1qmo n LEU 108 Cb 0.41 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 1qmo n LEU 108 CO 0.12 0.78 -0.47 -0.36 -1.33 0.00 0.00 177.39 176.13 1qmo s PHE 109 N -2.33 1.49 -0.05 -1.77 0.40 -1.22 -4.76 117.98 109.74 1qmo s PHE 109 Ca -0.22 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 55.44 1qmo s PHE 109 Cb 0.06 -0.79 -0.31 0.00 0.51 0.00 0.00 43.02 42.49 1qmo s PHE 109 CO 0.38 0.16 0.77 -1.00 0.70 0.00 0.00 175.22 176.24 1qmo h PRO 110 N 3.74 0.36 0.00 0.24 0.13 -1.93 -3.29 132.00 131.25 1qmo h PRO 110 Ca -0.42 -0.61 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1qmo h PRO 110 Cb 1.19 0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1qmo h PRO 110 CO 0.46 1.29 0.00 0.27 -0.23 0.00 0.00 178.00 179.80 1qmo n ASN 111 N -3.88 0.00 -1.78 1.44 0.23 -1.26 -4.82 115.26 105.19 1qmo n ASN 111 Ca -0.20 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.88 1qmo n ASN 111 Cb 0.96 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.68 1qmo n ASN 111 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qmo n ALA 112 N -3.00 2.50 1.46 -2.53 0.00 -1.26 -5.03 120.51 112.65 1qmo n ALA 112 Ca 0.00 -2.32 0.12 0.00 0.00 0.00 0.00 53.44 51.24 1qmo n ALA 112 Cb 0.00 -0.75 0.69 0.00 0.00 0.00 0.00 19.45 19.39 1qmo n ALA 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59