#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cew n ASN 3 N 0.00 2.80 -3.68 4.39 5.03 -1.26 -4.89 115.26 117.65 3cew n ASN 3 Ca 0.00 -2.33 -0.10 0.00 0.87 0.00 0.00 54.58 53.03 3cew n ASN 3 Cb 0.00 -0.51 -0.03 0.00 -1.02 0.00 0.00 39.78 38.22 3cew n ASN 3 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 3cew s TYR 4 N -1.73 -0.23 -0.01 3.10 1.13 -1.26 -5.17 117.35 113.18 3cew s TYR 4 Ca 0.23 -0.10 -0.02 0.00 -1.41 0.00 0.00 57.07 55.77 3cew s TYR 4 Cb 0.17 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.52 3cew s TYR 4 CO 0.08 -0.96 0.05 -0.65 -2.51 0.00 0.00 175.55 171.57 3cew s GLN 5 N -3.85 0.15 0.31 -3.49 -0.21 -1.26 -5.20 119.66 106.11 3cew s GLN 5 Ca 0.07 -0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.38 3cew s GLN 5 Cb -0.02 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 34.02 3cew s GLN 5 CO -0.04 -0.03 0.14 0.21 -2.12 0.00 0.00 175.29 173.45 3cew s LYS 6 N -0.40 1.62 0.01 2.91 2.20 -1.26 -5.04 119.74 119.77 3cew s LYS 6 Ca -0.05 -1.92 0.01 0.00 -0.36 0.00 0.00 55.97 53.65 3cew s LYS 6 Cb -0.03 -0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.02 3cew s LYS 6 CO 0.00 -0.41 -0.03 -1.12 -0.36 0.00 0.00 175.35 173.43 3cew s SER 8 N -3.41 0.30 -0.09 1.43 0.01 -1.26 -5.06 113.70 105.63 3cew s SER 8 Ca 0.34 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.47 3cew s SER 8 Cb 0.05 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.29 3cew s SER 8 CO 0.16 -0.05 -0.21 -0.69 0.41 0.00 0.00 173.24 172.86 3cew s VAL 9 N -0.43 1.85 0.75 3.43 1.01 -1.26 -5.12 120.40 120.64 3cew s VAL 9 Ca -0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3cew s VAL 9 Cb -0.03 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.78 3cew s VAL 9 CO -0.00 0.51 1.24 0.00 0.00 0.00 0.00 175.10 176.85 3cew s ALA 10 N 0.41 2.02 0.31 5.51 0.00 -1.26 -4.89 121.76 123.85 3cew s ALA 10 Ca -0.18 0.98 0.06 0.00 0.00 0.00 0.00 51.96 52.82 3cew s ALA 10 Cb -0.17 -3.52 0.76 0.00 0.00 0.00 0.00 23.12 20.19 3cew s ALA 10 CO 0.08 -2.06 1.77 0.37 0.00 0.00 0.00 175.76 175.92 3cew h GLN 11 N -0.40 0.71 -0.59 0.00 4.15 -2.07 -2.43 115.11 114.48 3cew h GLN 11 Ca -0.48 -0.04 -0.43 0.00 0.77 0.00 0.00 58.65 58.47 3cew h GLN 11 Cb 1.31 -0.16 -0.32 0.00 0.21 0.00 0.00 27.48 28.52 3cew h GLN 11 CO 0.49 0.47 -0.65 -0.25 -1.93 0.00 0.00 178.83 176.96 3cew n ASP 12 N -4.79 4.31 -4.88 -0.69 8.00 -1.26 -5.04 116.55 112.19 3cew n ASP 12 Ca 0.24 -3.79 -0.35 0.00 0.71 0.00 0.00 54.79 51.61 3cew n ASP 12 Cb 0.60 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 3cew n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cew s ALA 13 N -3.52 3.84 -0.30 2.24 0.00 -0.92 -5.02 121.76 118.08 3cew s ALA 13 Ca 0.49 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 3cew s ALA 13 Cb 0.41 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.47 3cew s ALA 13 CO 0.01 0.64 0.09 1.03 0.00 0.00 0.00 175.76 177.54 3cew s ARG 14 N -1.72 3.02 0.19 0.00 0.52 -1.26 -4.63 118.95 115.07 3cew s ARG 14 Ca 0.27 -0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 54.47 3cew s ARG 14 Cb -0.13 -3.40 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 3cew s ARG 14 CO 0.16 -0.48 0.36 0.14 0.02 0.00 0.00 175.30 175.50 3cew s VAL 15 N 1.49 0.04 -0.02 3.52 -7.23 -0.98 -5.01 120.40 112.21 3cew s VAL 15 Ca 0.02 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 3cew s VAL 15 Cb -0.18 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 3cew s VAL 15 CO 0.03 -0.19 -0.20 -1.61 -0.31 0.00 0.00 175.10 172.82 3cew s GLU 16 N -3.97 2.28 0.05 4.82 2.02 -1.26 -1.13 118.70 121.51 3cew s GLU 16 Ca 0.18 -0.83 0.22 0.00 0.02 0.00 0.00 54.97 54.56 3cew s GLU 16 Cb 0.02 -2.21 -0.16 0.00 0.10 0.00 0.00 34.13 31.88 3cew s GLU 16 CO 0.02 0.59 0.78 1.28 0.02 0.00 0.00 175.26 177.94 3cew n LEU 17 N 2.24 0.43 -0.03 1.80 4.32 0.28 -4.52 117.00 121.52 3cew n LEU 17 Ca -0.17 0.05 -0.14 0.00 -0.02 0.00 0.00 56.01 55.73 3cew n LEU 17 Cb 0.52 -0.04 -0.09 0.00 -1.62 0.00 0.00 43.42 42.19 3cew n LEU 17 CO 0.25 -0.02 0.50 -0.74 -1.22 0.00 0.00 177.39 176.16 3cew h HIS 18 N 0.00 -1.53 -0.28 -1.77 2.76 -1.84 -0.25 115.15 112.24 3cew h HIS 18 Ca 0.00 0.06 -0.17 0.00 -2.20 0.00 0.00 60.37 58.06 3cew h HIS 18 Cb 0.90 0.69 0.00 0.00 1.55 0.00 0.00 27.41 30.55 3cew h HIS 18 CO 0.00 -0.50 -0.50 -0.44 -1.30 0.00 0.00 177.93 175.19 3cew h ASP 19 N -0.52 0.92 0.07 3.26 3.32 -1.91 0.16 116.42 121.72 3cew h ASP 19 Ca 0.04 -0.53 -0.04 0.00 0.02 0.00 0.00 57.03 56.51 3cew h ASP 19 Cb 0.62 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3cew h ASP 19 CO -0.43 1.28 -0.14 0.28 -1.72 0.00 0.00 179.24 178.51 3cew h SER 20 N 0.60 0.14 -0.01 6.45 0.02 -1.76 -2.89 113.55 116.10 3cew h SER 20 Ca 0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3cew h SER 20 Cb 1.10 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3cew h SER 20 CO 0.11 0.29 -0.05 0.18 -1.14 0.00 0.00 176.83 176.22 3cew n LEU 21 N -4.30 1.93 -3.58 5.07 4.77 -0.12 -4.96 117.00 115.81 3cew n LEU 21 Ca -0.01 -0.95 -0.20 0.00 -0.03 0.00 0.00 56.01 54.82 3cew n LEU 21 Cb 0.25 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3cew n LEU 21 CO 0.37 0.36 0.04 0.00 -1.33 0.00 0.00 177.39 176.83 3cew n ALA 22 N 0.54 -1.95 -1.72 -1.18 0.00 0.36 -4.84 120.51 111.71 3cew n ALA 22 Ca 0.07 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3cew n ALA 22 Cb 0.31 -2.46 0.02 0.00 0.00 0.00 0.00 19.45 17.32 3cew n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cew s LEU 23 N -6.59 3.66 0.00 0.00 1.43 -0.10 -4.95 118.68 112.14 3cew s LEU 23 Ca 0.06 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3cew s LEU 23 Cb -0.03 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.61 3cew s LEU 23 CO 0.77 -1.45 0.00 0.35 0.23 0.00 0.00 176.35 176.25 3cew n THR 24 N -1.58 0.00 0.22 5.49 -2.24 -1.26 -4.77 114.28 110.14 3cew n THR 24 Ca 0.12 -0.32 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3cew n THR 24 Cb 0.50 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 3cew n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cew n GLY 25 N 0.64 -0.70 3.82 3.38 0.00 -1.26 -5.08 105.19 105.99 3cew n GLY 25 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 3cew n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cew s ALA 26 N -0.61 -2.01 -0.03 4.61 0.00 -1.26 -4.62 121.76 117.84 3cew s ALA 26 Ca 0.06 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.15 3cew s ALA 26 Cb 0.04 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 3cew s ALA 26 CO 0.09 -1.08 -0.12 -2.00 0.00 0.00 0.00 175.76 172.65 3cew s GLU 27 N -2.36 1.21 -0.12 0.00 2.56 -0.67 -4.69 118.70 114.63 3cew s GLU 27 Ca 0.20 -0.41 0.01 0.00 0.00 0.00 0.00 54.97 54.77 3cew s GLU 27 Cb 0.00 -1.11 0.02 0.00 2.00 0.00 0.00 34.13 35.05 3cew s GLU 27 CO 0.01 0.17 -0.12 0.08 -0.56 0.00 0.00 175.26 174.83 3cew s VAL 28 N 0.09 1.35 -0.09 3.70 1.01 -1.26 -0.57 120.40 124.64 3cew s VAL 28 Ca -0.02 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3cew s VAL 28 Cb -0.09 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3cew s VAL 28 CO 0.01 0.42 -0.20 -0.94 0.00 0.00 0.00 175.10 174.38 3cew s SER 29 N 1.31 3.44 -0.21 3.32 1.04 -0.70 -0.56 113.70 121.35 3cew s SER 29 Ca -0.01 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 55.93 3cew s SER 29 Cb -0.14 -1.20 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 3cew s SER 29 CO -0.06 0.21 0.02 -0.63 0.98 0.00 0.00 173.24 173.77 3cew s ILE 30 N 0.04 4.11 0.26 -1.02 1.01 -0.28 -1.61 121.20 123.71 3cew s ILE 30 Ca -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 3cew s ILE 30 Cb -0.15 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 3cew s ILE 30 CO 0.05 0.41 0.35 0.21 0.00 0.00 0.00 174.94 175.97 3cew s ASN 31 N 1.10 0.38 -0.22 3.58 2.47 -0.72 -2.32 114.94 119.21 3cew s ASN 31 Ca 0.03 -1.28 -0.27 0.00 0.42 0.00 0.00 52.86 51.76 3cew s ASN 31 Cb -0.14 0.54 0.11 0.00 -1.45 0.00 0.00 41.25 40.30 3cew s ASN 31 CO 0.02 -1.08 0.92 -1.38 -3.72 0.00 0.00 177.10 171.85 3cew s HIS 32 N -3.76 -0.53 -0.03 0.43 -3.43 -1.26 -1.13 115.29 105.58 3cew s HIS 32 Ca 0.31 1.16 0.06 0.00 -0.80 0.00 0.00 55.06 55.79 3cew s HIS 32 Cb 0.02 0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 31.52 3cew s HIS 32 CO 0.14 -0.34 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.84 3cew s LEU 33 N -0.28 2.46 0.78 5.38 1.43 -0.22 -4.96 118.68 123.27 3cew s LEU 33 Ca -0.01 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3cew s LEU 33 Cb -0.03 -1.47 0.06 0.00 0.03 0.00 0.00 46.19 44.78 3cew s LEU 33 CO -0.01 0.33 1.08 -2.16 0.23 0.00 0.00 176.35 175.83 3cew s PRO 34 N -0.74 2.21 0.25 1.29 0.04 -1.26 -1.46 135.00 135.33 3cew s PRO 34 Ca 0.11 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 3cew s PRO 34 Cb -0.10 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 3cew s PRO 34 CO 0.00 -1.59 1.04 0.00 0.04 0.00 0.00 177.00 176.49 3cew n ALA 35 N -3.44 -0.52 -0.90 8.56 0.00 -1.26 -1.51 120.51 121.44 3cew n ALA 35 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3cew n ALA 35 Cb 0.55 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.99 3cew n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cew n GLY 36 N 1.53 0.66 3.82 0.00 0.00 0.00 -4.95 105.19 106.25 3cew n GLY 36 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3cew n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cew s ALA 37 N -2.89 3.84 0.04 4.61 0.00 -0.57 -4.95 121.76 121.85 3cew s ALA 37 Ca 0.00 -1.87 -0.28 0.00 0.00 0.00 0.00 51.96 49.81 3cew s ALA 37 Cb 0.00 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 22.32 3cew s ALA 37 CO 0.00 -0.12 1.05 0.20 0.00 0.00 0.00 175.76 176.88 3cew s GLY 38 N -4.02 -0.33 0.10 0.00 0.00 -1.26 -0.35 107.32 101.46 3cew s GLY 38 Ca 0.44 0.62 -0.31 0.00 0.00 0.00 0.00 44.72 45.46 3cew s GLY 38 CO 0.26 0.16 1.87 0.14 0.00 0.00 0.00 173.10 175.53 3cew s VAL 39 N -2.95 2.64 -2.00 1.40 1.01 -0.57 -4.85 120.40 115.08 3cew s VAL 39 Ca 0.11 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.18 3cew s VAL 39 Cb 0.00 -3.02 0.18 0.00 0.00 0.00 0.00 36.38 33.54 3cew s VAL 39 CO -0.02 -0.00 0.82 -0.81 0.00 0.00 0.00 175.10 175.08 3cew n PRO 40 N 6.14 0.47 -3.95 2.72 -0.04 -1.26 -4.79 135.00 134.29 3cew n PRO 40 Ca 0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 3cew n PRO 40 Cb 0.39 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 3cew n PRO 40 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3cew s PHE 41 N -2.00 0.36 -0.03 0.54 -0.12 -1.26 -5.16 117.98 110.31 3cew s PHE 41 Ca 0.09 -0.71 0.02 0.00 -0.05 0.00 0.00 56.93 56.28 3cew s PHE 41 Cb 0.04 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 3cew s PHE 41 CO 0.07 -0.81 -0.06 0.08 -0.05 0.00 0.00 175.22 174.45 3cew s VAL 42 N -3.98 3.76 0.13 -2.49 1.01 -1.26 -4.68 120.40 112.89 3cew s VAL 42 Ca 0.18 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 3cew s VAL 42 Cb 0.02 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.83 3cew s VAL 42 CO 0.02 0.48 0.38 -1.38 0.00 0.00 0.00 175.10 174.60 3cew s HIS 43 N -0.93 -0.15 0.21 5.22 -3.43 -0.85 -4.93 115.29 110.43 3cew s HIS 43 Ca 0.15 -0.18 0.02 0.00 -0.80 0.00 0.00 55.06 54.25 3cew s HIS 43 Cb -0.11 0.22 -0.01 0.00 -1.43 0.00 0.00 32.58 31.26 3cew s HIS 43 CO 0.05 -0.70 0.07 -1.13 -2.00 0.00 0.00 174.74 171.04 3cew n SER 44 N -0.21 1.25 -4.20 7.38 3.41 -1.26 -1.31 113.62 118.67 3cew n SER 44 Ca -0.15 -2.11 -0.17 0.00 -0.26 0.00 0.00 58.87 56.17 3cew n SER 44 Cb 0.64 0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 64.96 3cew n SER 44 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3cew s HIS 45 N -2.28 1.26 -0.07 7.33 3.76 0.22 -5.05 115.29 120.45 3cew s HIS 45 Ca 0.09 -0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 54.22 3cew s HIS 45 Cb 0.00 -0.68 -0.27 0.00 1.11 0.00 0.00 32.58 32.74 3cew s HIS 45 CO 0.07 0.08 0.90 0.87 -0.85 0.00 0.00 174.74 175.81 3cew h LYS 46 N 3.82 0.18 0.00 1.40 1.57 -2.00 -3.37 116.57 118.17 3cew h LYS 46 Ca -0.40 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.12 3cew h LYS 46 Cb 1.19 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3cew h LYS 46 CO 0.47 1.07 0.00 0.00 -0.57 0.00 0.00 179.45 180.42 3cew n GLN 47 N -4.38 0.00 -3.53 3.15 10.64 -1.26 -4.95 117.38 117.05 3cew n GLN 47 Ca -0.11 0.00 -0.37 0.00 -1.83 0.00 0.00 57.00 54.69 3cew n GLN 47 Cb 0.62 -0.40 -0.07 0.00 -0.86 0.00 0.00 30.24 29.53 3cew n GLN 47 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3cew s ASN 48 N 0.00 6.47 0.41 2.61 0.01 -1.26 -1.20 114.94 121.97 3cew s ASN 48 Ca 0.00 0.55 -0.20 0.00 -0.71 0.00 0.00 52.86 52.51 3cew s ASN 48 Cb 0.00 -2.19 -0.10 0.00 0.41 0.00 0.00 41.25 39.37 3cew s ASN 48 CO 0.00 0.12 0.90 -0.70 -1.51 0.00 0.00 177.10 175.91 3cew s GLU 49 N 0.34 4.17 -0.03 -0.60 2.12 0.27 -4.14 118.70 120.83 3cew s GLU 49 Ca 0.18 1.01 0.04 0.00 0.36 0.00 0.00 54.97 56.56 3cew s GLU 49 Cb -0.13 -2.24 -0.00 0.00 0.26 0.00 0.00 34.13 32.02 3cew s GLU 49 CO 0.05 0.01 -0.15 -2.00 -0.54 0.00 0.00 175.26 172.63 3cew s GLU 50 N -3.15 1.50 -0.17 4.30 2.12 -0.84 -1.73 118.70 120.73 3cew s GLU 50 Ca 0.60 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 55.41 3cew s GLU 50 Cb -0.09 -1.34 0.01 0.00 0.26 0.00 0.00 34.13 32.97 3cew s GLU 50 CO 0.14 0.23 -0.18 0.42 -0.54 0.00 0.00 175.26 175.33 3cew s ILE 51 N 0.01 2.30 -0.11 -3.70 1.01 0.16 -0.26 121.20 120.61 3cew s ILE 51 Ca -0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 3cew s ILE 51 Cb -0.10 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3cew s ILE 51 CO 0.01 0.53 0.01 -0.31 0.00 0.00 0.00 174.94 175.18 3cew s TYR 52 N 1.13 3.17 -0.10 3.97 2.02 0.34 -0.53 117.35 127.35 3cew s TYR 52 Ca 0.01 0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 3cew s TYR 52 Cb -0.14 -1.85 0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3cew s TYR 52 CO -0.08 0.36 -0.04 0.20 -1.57 0.00 0.00 175.55 174.43 3cew s GLY 53 N -0.55 0.70 -0.37 0.71 0.00 -0.32 -0.71 107.32 106.78 3cew s GLY 53 Ca 0.09 -0.41 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 3cew s GLY 53 CO 0.02 0.97 0.80 -0.42 0.00 0.00 0.00 173.10 174.47 3cew s ILE 54 N 1.81 4.71 0.01 0.90 1.09 -0.35 -0.07 121.20 129.31 3cew s ILE 54 Ca 0.04 0.88 0.11 0.00 -1.10 0.00 0.00 60.65 60.58 3cew s ILE 54 Cb -0.13 -4.23 -0.20 0.00 -1.06 0.00 0.00 42.46 36.85 3cew s ILE 54 CO -0.07 -0.46 0.98 -0.07 -0.10 0.00 0.00 174.94 175.22 3cew h LEU 55 N 9.79 0.00 -7.62 2.97 4.07 -0.90 -1.29 115.31 122.33 3cew h LEU 55 Ca -0.25 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.75 3cew h LEU 55 Cb 1.09 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.76 3cew h LEU 55 CO 0.92 0.94 0.23 -0.94 -1.08 0.00 0.00 178.44 178.51 3cew s SER 56 N -6.35 -0.37 0.58 -0.43 1.04 -0.86 -4.73 113.70 102.57 3cew s SER 56 Ca -0.02 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3cew s SER 56 Cb 0.09 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.89 3cew s SER 56 CO 0.82 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3cew n GLY 57 N -0.43 0.27 3.53 7.32 0.00 -1.26 -1.29 105.19 113.33 3cew n GLY 57 Ca -0.09 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 3cew n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cew s LYS 58 N 0.00 1.40 0.00 1.61 -2.85 -0.94 -1.97 119.74 116.99 3cew s LYS 58 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 3cew s LYS 58 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 3cew s LYS 58 CO 0.00 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 175.24 3cew n GLY 59 N -0.38 -0.80 3.18 0.59 0.00 -0.10 -1.81 105.19 105.87 3cew n GLY 59 Ca -0.13 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 3cew n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cew s PHE 60 N -4.00 0.30 -0.05 1.61 0.08 -0.27 0.30 117.98 115.95 3cew s PHE 60 Ca 0.00 -0.75 -0.02 0.00 0.12 0.00 0.00 56.93 56.28 3cew s PHE 60 Cb 0.00 -0.16 0.04 0.00 -0.57 0.00 0.00 43.02 42.32 3cew s PHE 60 CO 0.00 -0.51 0.10 -1.50 -0.10 0.00 0.00 175.22 173.21 3cew s ILE 61 N -3.89 -0.08 -0.27 0.64 2.07 -0.30 -0.79 121.20 118.58 3cew s ILE 61 Ca 0.07 0.23 -0.11 0.00 -1.41 0.00 0.00 60.65 59.43 3cew s ILE 61 Cb 0.06 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.42 3cew s ILE 61 CO -0.09 0.09 0.19 -0.89 -1.91 0.00 0.00 174.94 172.33 3cew s THR 62 N 1.32 5.32 -0.21 4.00 2.01 -0.03 0.20 115.64 128.25 3cew s THR 62 Ca -0.07 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.14 3cew s THR 62 Cb -0.12 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.90 3cew s THR 62 CO -0.05 0.28 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.39 3cew s ILE 63 N 1.53 1.99 -1.32 1.82 1.01 0.18 -1.87 121.20 124.55 3cew s ILE 63 Ca 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 3cew s ILE 63 Cb -0.15 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 3cew s ILE 63 CO 0.09 0.23 0.61 0.47 0.00 0.00 0.00 174.94 176.35 3cew n ASP 64 N 4.57 -1.40 0.00 3.58 8.00 0.39 -1.55 116.55 130.14 3cew n ASP 64 Ca -0.17 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3cew n ASP 64 Cb 0.46 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 3cew n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cew n GLY 65 N -1.72 2.89 3.62 0.44 0.00 -1.26 -4.99 105.19 104.17 3cew n GLY 65 Ca -0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3cew n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cew s GLU 66 N -0.07 3.99 -0.19 1.61 2.12 -0.60 -5.07 118.70 120.49 3cew s GLU 66 Ca 0.00 -0.31 -0.12 0.00 0.36 0.00 0.00 54.97 54.89 3cew s GLU 66 Cb 0.00 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.86 3cew s GLU 66 CO 0.00 0.02 0.24 -1.59 -0.54 0.00 0.00 175.26 173.39 3cew s LYS 67 N 1.15 4.21 -0.13 4.30 -2.85 -1.26 0.49 119.74 125.65 3cew s LYS 67 Ca 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 55.97 54.98 3cew s LYS 67 Cb -0.14 -3.45 -0.03 0.00 -2.06 0.00 0.00 37.83 32.15 3cew s LYS 67 CO 0.05 0.21 -0.06 0.42 0.10 0.00 0.00 175.35 176.07 3cew s ILE 68 N 0.60 3.73 0.38 3.79 -1.09 0.13 -4.92 121.20 123.82 3cew s ILE 68 Ca 0.13 -0.43 -0.25 0.00 -2.23 0.00 0.00 60.65 57.87 3cew s ILE 68 Cb -0.13 -2.60 -0.09 0.00 -1.58 0.00 0.00 42.46 38.07 3cew s ILE 68 CO 0.03 0.53 1.12 -1.61 -1.23 0.00 0.00 174.94 173.78 3cew s GLU 69 N 0.00 4.16 0.06 2.79 2.02 -1.26 -1.15 118.70 125.32 3cew s GLU 69 Ca -0.00 1.73 0.06 0.00 0.02 0.00 0.00 54.97 56.77 3cew s GLU 69 Cb -0.13 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 3cew s GLU 69 CO 0.03 -0.20 -0.15 -0.51 0.02 0.00 0.00 175.26 174.45 3cew s LEU 70 N -2.41 2.24 0.14 1.80 1.43 0.15 -4.90 118.68 117.12 3cew s LEU 70 Ca 0.56 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 3cew s LEU 70 Cb -0.28 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.35 3cew s LEU 70 CO 0.35 -0.01 0.39 0.00 0.23 0.00 0.00 176.35 177.31 3cew s GLN 71 N -1.52 1.10 0.16 1.70 -2.07 -1.26 -0.92 119.66 116.85 3cew s GLN 71 Ca 0.01 -0.80 -0.33 0.00 -1.82 0.00 0.00 55.36 52.42 3cew s GLN 71 Cb -0.09 0.46 -0.16 0.00 -1.09 0.00 0.00 33.01 32.12 3cew s GLN 71 CO 0.02 -0.43 1.11 0.00 -1.32 0.00 0.00 175.29 174.67 3cew n ALA 72 N -0.22 -1.14 0.00 2.60 0.00 -0.83 -1.50 120.51 119.41 3cew n ALA 72 Ca -0.14 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.77 3cew n ALA 72 Cb 0.63 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3cew n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cew n GLY 73 N 1.95 1.00 3.75 0.00 0.00 -0.49 -5.01 105.19 106.39 3cew n GLY 73 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3cew n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cew s ASP 74 N -1.81 7.53 -0.02 1.61 1.01 -0.56 -4.90 116.67 119.53 3cew s ASP 74 Ca 0.00 1.82 0.03 0.00 0.71 0.00 0.00 52.55 55.11 3cew s ASP 74 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 3cew s ASP 74 CO 0.00 0.09 -0.11 0.26 0.21 0.00 0.00 175.17 175.62 3cew s TRP 75 N -0.75 1.11 0.04 4.23 0.52 -1.26 -1.21 118.94 121.62 3cew s TRP 75 Ca 0.42 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 56.30 3cew s TRP 75 Cb -0.24 -0.75 -0.02 0.00 -1.15 0.00 0.00 33.47 31.30 3cew s TRP 75 CO 0.30 -0.07 -0.07 -0.51 0.02 0.00 0.00 176.95 176.62 3cew s LEU 76 N -0.04 2.26 -0.08 2.99 1.02 0.11 -4.98 118.68 119.97 3cew s LEU 76 Ca 0.00 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.61 3cew s LEU 76 Cb -0.07 -0.11 -0.03 0.00 0.02 0.00 0.00 46.19 46.00 3cew s LEU 76 CO 0.00 -0.23 -0.11 -0.60 0.02 0.00 0.00 176.35 175.44 3cew s ARG 77 N -1.63 2.84 -0.09 1.70 3.52 -1.26 -0.50 118.95 123.53 3cew s ARG 77 Ca -0.10 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 3cew s ARG 77 Cb -0.09 -2.54 0.02 0.00 -1.56 0.00 0.00 34.95 30.77 3cew s ARG 77 CO -0.00 0.53 -0.09 0.42 -0.81 0.00 0.00 175.30 175.35 3cew s ILE 78 N -0.47 1.05 0.69 4.11 1.01 0.64 -5.00 121.20 123.23 3cew s ILE 78 Ca 0.06 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 3cew s ILE 78 Cb -0.12 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.34 3cew s ILE 78 CO 0.02 0.36 1.09 0.00 0.00 0.00 0.00 174.94 176.41 3cew s ALA 79 N 1.27 2.45 0.24 9.38 0.00 -1.26 -1.99 121.76 131.85 3cew s ALA 79 Ca -0.03 0.40 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 3cew s ALA 79 Cb -0.14 -3.28 0.40 0.00 0.00 0.00 0.00 23.12 20.10 3cew s ALA 79 CO -0.03 -1.37 1.64 -1.35 0.00 0.00 0.00 175.76 174.64 3cew h PRO 80 N -0.36 0.09 0.00 0.00 0.11 -1.84 -1.23 132.00 128.78 3cew h PRO 80 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cew h PRO 80 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cew h PRO 80 CO 0.54 0.06 0.00 -0.44 -0.21 0.00 0.00 178.00 177.94 3cew h ASP 81 N 0.09 0.00 -2.68 -2.05 3.32 -1.93 0.64 116.42 113.82 3cew h ASP 81 Ca 0.39 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.92 3cew h ASP 81 Cb 0.67 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.27 3cew h ASP 81 CO -0.66 0.00 1.00 -0.83 -1.72 0.00 0.00 179.24 177.03 3cew s GLY 82 N -4.09 1.31 -0.33 2.75 0.00 -0.47 -4.88 107.32 101.62 3cew s GLY 82 Ca -0.01 1.51 -0.19 0.00 0.00 0.00 0.00 44.72 46.03 3cew s GLY 82 CO 0.47 2.87 0.56 0.54 0.00 0.00 0.00 173.10 177.55 3cew s LYS 83 N 1.46 3.75 0.22 2.90 1.02 -1.26 -4.18 119.74 123.66 3cew s LYS 83 Ca 0.75 0.05 0.10 0.00 0.02 0.00 0.00 55.97 56.89 3cew s LYS 83 Cb -0.48 -3.77 -0.05 0.00 -0.52 0.00 0.00 37.83 33.02 3cew s LYS 83 CO 0.32 -0.61 -0.20 -0.98 -0.92 0.00 0.00 175.35 172.97 3cew s ARG 84 N 2.50 1.49 -0.30 1.68 1.70 -0.43 -0.46 118.95 125.13 3cew s ARG 84 Ca 0.22 -1.60 -0.06 0.00 -0.47 0.00 0.00 55.73 53.82 3cew s ARG 84 Cb -0.15 -1.59 0.18 0.00 -0.57 0.00 0.00 34.95 32.82 3cew s ARG 84 CO 0.13 0.31 0.76 -1.14 -1.08 0.00 0.00 175.30 174.28 3cew s GLN 85 N -3.15 0.44 0.20 3.89 0.74 -0.78 -2.00 119.66 119.00 3cew s GLN 85 Ca 0.23 0.86 0.01 0.00 0.05 0.00 0.00 55.36 56.50 3cew s GLN 85 Cb -0.05 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 3cew s GLN 85 CO 0.10 -0.42 0.37 -1.50 -0.55 0.00 0.00 175.29 173.30 3cew s ILE 86 N 2.85 5.23 0.08 -2.34 2.07 -1.26 -0.85 121.20 126.99 3cew s ILE 86 Ca 0.10 -0.52 -0.20 0.00 -1.41 0.00 0.00 60.65 58.62 3cew s ILE 86 Cb -0.13 -3.76 0.05 0.00 0.13 0.00 0.00 42.46 38.75 3cew s ILE 86 CO -0.18 -0.19 0.48 -0.94 -1.91 0.00 0.00 174.94 172.20 3cew s SER 87 N -3.32 -0.37 0.77 4.50 1.04 0.03 -1.52 113.70 114.82 3cew s SER 87 Ca 0.37 -0.01 -0.11 0.00 0.48 0.00 0.00 55.95 56.68 3cew s SER 87 Cb -0.11 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.56 3cew s SER 87 CO 0.29 -0.77 1.14 0.00 0.98 0.00 0.00 173.24 174.88 3cew s ALA 88 N -2.96 2.78 0.72 5.32 0.00 0.53 -1.11 121.76 127.02 3cew s ALA 88 Ca -0.02 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 3cew s ALA 88 Cb -0.00 -2.95 0.02 0.00 0.00 0.00 0.00 23.12 20.19 3cew s ALA 88 CO -0.06 -1.47 1.07 0.00 0.00 0.00 0.00 175.76 175.31 3cew s ALA 89 N -3.48 2.66 0.35 0.00 0.00 -0.57 -4.40 121.76 116.34 3cew s ALA 89 Ca 0.60 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.52 3cew s ALA 89 Cb -0.11 -3.11 0.67 0.00 0.00 0.00 0.00 23.12 20.57 3cew s ALA 89 CO 0.49 -1.27 1.86 1.03 0.00 0.00 0.00 175.76 177.87 3cew h SER 90 N -0.75 0.30 -0.23 0.00 0.87 -1.93 0.08 113.55 111.88 3cew h SER 90 Ca -0.45 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3cew h SER 90 Cb 1.23 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3cew h SER 90 CO 0.60 0.49 0.00 -0.90 -0.53 0.00 0.00 176.83 176.48 3cew n ASP 91 N -4.22 3.45 -3.59 6.23 5.75 -1.26 -4.01 116.55 118.89 3cew n ASP 91 Ca -0.00 -2.80 -0.13 0.00 -0.01 0.00 0.00 54.79 51.84 3cew n ASP 91 Cb 0.31 -0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 39.88 3cew n ASP 91 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3cew s SER 92 N -1.85 -0.55 0.94 -1.12 0.15 -1.15 -5.01 113.70 105.11 3cew s SER 92 Ca 0.36 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.71 3cew s SER 92 Cb 0.28 0.79 0.17 0.00 -1.71 0.00 0.00 66.02 65.55 3cew s SER 92 CO 0.09 -0.33 1.26 -2.16 1.20 0.00 0.00 173.24 173.30 3cew s PRO 93 N -0.41 0.88 -0.07 5.44 0.04 -1.26 -1.51 135.00 138.11 3cew s PRO 93 Ca -0.02 -0.21 -0.05 0.00 0.04 0.00 0.00 61.00 60.75 3cew s PRO 93 Cb -0.03 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.69 3cew s PRO 93 CO 0.01 -2.28 0.19 -1.50 0.04 0.00 0.00 177.00 173.46 3cew s ILE 94 N -3.71 -0.02 -0.09 0.56 2.07 -0.54 -2.22 121.20 117.26 3cew s ILE 94 Ca 0.70 0.06 0.04 0.00 -1.41 0.00 0.00 60.65 60.04 3cew s ILE 94 Cb -0.07 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3cew s ILE 94 CO 0.52 0.03 -0.22 -0.83 -1.91 0.00 0.00 174.94 172.52 3cew s GLY 95 N 0.52 1.36 0.17 1.50 0.00 -0.41 -1.05 107.32 109.40 3cew s GLY 95 Ca -0.03 -0.98 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 3cew s GLY 95 CO -0.03 -0.42 0.36 -0.11 0.00 0.00 0.00 173.10 172.90 3cew s PHE 96 N 0.14 0.20 -0.03 1.90 -0.71 -0.28 -0.18 117.98 119.03 3cew s PHE 96 Ca -0.12 -0.56 0.04 0.00 -1.04 0.00 0.00 56.93 55.25 3cew s PHE 96 Cb -0.16 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 3cew s PHE 96 CO 0.07 -0.78 -0.15 -0.51 -1.34 0.00 0.00 175.22 172.51 3cew s LEU 97 N -2.93 2.73 -0.26 -1.99 1.43 0.90 -1.75 118.68 116.81 3cew s LEU 97 Ca 0.14 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3cew s LEU 97 Cb 0.02 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.74 3cew s LEU 97 CO -0.02 0.32 -0.02 0.00 0.23 0.00 0.00 176.35 176.87 3cew s ILE 99 N 1.34 5.27 -0.23 0.00 1.01 0.31 -1.72 121.20 127.18 3cew s ILE 99 Ca -0.01 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 3cew s ILE 99 Cb -0.19 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3cew s ILE 99 CO -0.09 0.16 0.06 -1.58 0.00 0.00 0.00 174.94 173.49 3cew s GLN 100 N 1.84 3.73 0.02 2.79 0.74 0.27 -0.67 119.66 128.38 3cew s GLN 100 Ca 0.09 -0.45 -0.03 0.00 0.05 0.00 0.00 55.36 55.02 3cew s GLN 100 Cb -0.16 -3.27 -0.01 0.00 1.10 0.00 0.00 33.01 30.67 3cew s GLN 100 CO 0.11 -0.04 0.04 0.14 -0.55 0.00 0.00 175.29 174.99 3cew s VAL 101 N 1.22 0.10 -0.05 1.34 -7.23 -0.71 -1.67 120.40 113.40 3cew s VAL 101 Ca 0.04 -0.85 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 3cew s VAL 101 Cb -0.14 -0.39 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 3cew s VAL 101 CO 0.03 -0.47 1.63 -0.75 -0.31 0.00 0.00 175.10 175.23 3cew s LYS 102 N -1.55 4.19 0.30 4.82 2.20 -1.26 0.94 119.74 129.38 3cew s LYS 102 Ca -0.14 2.16 -0.30 0.00 -0.36 0.00 0.00 55.97 57.33 3cew s LYS 102 Cb -0.08 -3.94 -0.12 0.00 -1.51 0.00 0.00 37.83 32.18 3cew s LYS 102 CO -0.00 -0.82 1.47 0.00 -0.36 0.00 0.00 175.35 175.64 3cew n ALA 103 N 6.95 1.91 -0.93 3.13 0.00 -0.34 -2.12 120.51 129.11 3cew n ALA 103 Ca 0.17 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3cew n ALA 103 Cb 0.43 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.51 3cew n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cew n GLY 104 N 1.66 0.34 0.16 0.00 0.00 -1.26 -4.88 105.19 101.21 3cew n GLY 104 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 3cew n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cew h SER 105 N 0.00 0.00 -3.34 1.61 4.64 -1.82 -3.45 113.55 111.19 3cew h SER 105 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3cew h SER 105 Cb 0.33 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.45 3cew h SER 105 CO 0.00 0.27 0.65 -0.22 -0.87 0.00 0.00 176.83 176.66 3cew s LEU 106 N -6.19 4.41 0.00 5.97 2.96 -1.26 -4.98 118.68 119.59 3cew s LEU 106 Ca 0.04 2.36 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 3cew s LEU 106 Cb 0.07 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3cew s LEU 106 CO 0.73 -0.53 0.00 -0.62 -1.32 0.00 0.00 176.35 174.61 3cew n GLU 107 N 2.84 0.00 -1.85 1.98 1.02 -1.26 -5.07 120.64 118.30 3cew n GLU 107 Ca 0.07 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.89 3cew n GLU 107 Cb 0.43 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.87 3cew n GLU 107 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3cew s GLY 108 N 0.00 1.86 -0.11 0.62 0.00 -1.26 -5.06 107.32 103.37 3cew s GLY 108 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.60 3cew s GLY 108 CO 0.00 0.49 0.85 -2.52 0.00 0.00 0.00 173.10 171.91 3cew s TYR 109 N -2.81 -0.50 0.00 1.90 -0.85 -1.26 -4.69 117.35 109.13 3cew s TYR 109 Ca 0.60 0.86 0.00 0.00 -0.52 0.00 0.00 57.07 58.00 3cew s TYR 109 Cb -0.14 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.63 3cew s TYR 109 CO 0.46 -0.47 0.00 2.41 -1.52 0.00 0.00 175.55 176.43 3cew n THR 110 N 0.80 0.00 0.00 -3.49 -1.04 -1.26 -3.97 114.28 105.32 3cew n THR 110 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 3cew n THR 110 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3cew n THR 110 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3cew n THR 112 N 0.00 0.00 0.00 12.58 -2.24 -1.26 0.64 114.28 124.00 3cew n THR 112 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3cew n THR 112 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3cew n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3cew n ASP 113 N 0.00 0.00 -4.81 3.42 -0.08 -1.25 -4.52 116.55 109.31 3cew n ASP 113 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 3cew n ASP 113 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 3cew n ASP 113 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3cew s GLY 114 N -0.51 2.49 -0.15 0.27 0.00 0.21 -4.99 107.32 104.64 3cew s GLY 114 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 3cew s GLY 114 CO 0.00 0.82 -0.05 0.14 0.00 0.00 0.00 173.10 174.01 3cew s VAL 115 N -2.02 1.00 0.17 1.40 1.01 -1.26 -5.02 120.40 115.67 3cew s VAL 115 Ca 0.62 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 3cew s VAL 115 Cb -0.13 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 3cew s VAL 115 CO 0.17 0.18 1.11 -0.69 0.00 0.00 0.00 175.10 175.87 3cew s VAL 116 N 1.69 3.89 -0.68 2.92 1.01 -1.26 -4.98 120.40 122.98 3cew s VAL 116 Ca 0.02 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.38 3cew s VAL 116 Cb -0.14 -4.02 0.08 0.00 0.00 0.00 0.00 36.38 32.29 3cew s VAL 116 CO -0.08 0.26 0.97 -1.58 0.00 0.00 0.00 175.10 174.68 3cew s GLN 117 N -0.23 3.16 0.00 2.72 2.00 -1.26 -5.33 119.66 120.72 3cew s GLN 117 Ca 0.50 -0.94 0.05 0.00 -2.00 0.00 0.00 55.36 52.96 3cew s GLN 117 Cb -0.29 -4.31 0.28 0.00 0.80 0.00 0.00 33.01 29.49 3cew s GLN 117 CO 0.34 -1.81 0.75 1.28 -0.50 0.00 0.00 175.29 175.36