#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwe n SER 4 N 0.00 0.00 -0.00 1.61 3.41 -1.26 -4.96 113.62 112.42 1cwe n SER 4 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1cwe n SER 4 Cb 0.00 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1cwe n SER 4 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1cwe n TRP 5 N -1.86 0.00 -4.33 7.33 4.27 -1.26 -4.95 117.44 116.64 1cwe n TRP 5 Ca 0.00 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.27 1cwe n TRP 5 Cb 0.00 -0.03 -0.12 0.00 -1.36 0.00 0.00 31.31 29.80 1cwe n TRP 5 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1cwe s PHE 6 N -1.80 3.06 -0.07 -2.67 5.36 -1.26 0.59 117.98 121.19 1cwe s PHE 6 Ca -0.00 -0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 55.72 1cwe s PHE 6 Cb 0.02 -1.98 0.03 0.00 -0.34 0.00 0.00 43.02 40.74 1cwe s PHE 6 CO 0.10 -0.01 -0.01 -0.06 -1.46 0.00 0.00 175.22 173.78 1cwe s PHE 7 N 0.37 0.71 0.29 10.12 0.40 -0.17 -1.07 117.98 128.64 1cwe s PHE 7 Ca -0.03 -0.20 -0.12 0.00 -0.60 0.00 0.00 56.93 55.98 1cwe s PHE 7 Cb -0.14 -0.80 -0.08 0.00 0.51 0.00 0.00 43.02 42.52 1cwe s PHE 7 CO 0.02 -0.32 0.67 0.15 0.70 0.00 0.00 175.22 176.45 1cwe s LYS 8 N 1.80 3.90 -1.33 0.44 1.02 -1.26 -0.64 119.74 123.67 1cwe s LYS 8 Ca 0.03 0.50 -0.02 0.00 0.02 0.00 0.00 55.97 56.49 1cwe s LYS 8 Cb -0.13 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1cwe s LYS 8 CO -0.05 0.20 0.78 0.09 -0.92 0.00 0.00 175.35 175.46 1cwe n ASN 9 N -0.37 -1.90 -4.15 2.83 3.02 0.66 -4.79 115.26 110.55 1cwe n ASN 9 Ca 0.02 -0.78 -0.33 0.00 -0.03 0.00 0.00 54.58 53.45 1cwe n ASN 9 Cb 0.53 -4.18 -0.15 0.00 -0.61 0.00 0.00 39.78 35.37 1cwe n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1cwe s LEU 10 N -6.75 2.53 0.74 3.41 2.96 -1.13 -4.89 118.68 115.55 1cwe s LEU 10 Ca 0.11 -0.72 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 1cwe s LEU 10 Cb -0.05 -1.55 0.08 0.00 0.50 0.00 0.00 46.19 45.16 1cwe s LEU 10 CO 0.80 -0.04 1.05 -0.94 -1.32 0.00 0.00 176.35 175.90 1cwe s SER 11 N 1.30 4.61 0.11 3.68 1.04 -1.26 -4.54 113.70 118.64 1cwe s SER 11 Ca 0.03 0.40 -0.30 0.00 0.48 0.00 0.00 55.95 56.56 1cwe s SER 11 Cb -0.14 -0.97 -0.09 0.00 0.10 0.00 0.00 66.02 64.92 1cwe s SER 11 CO -0.10 -1.74 1.59 -0.09 0.98 0.00 0.00 173.24 173.89 1cwe h ARG 12 N -0.72 -0.59 0.00 4.02 2.43 -2.00 0.18 114.38 117.71 1cwe h ARG 12 Ca -0.44 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1cwe h ARG 12 Cb 1.31 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1cwe h ARG 12 CO 0.57 -0.39 -0.02 0.87 -1.51 0.00 0.00 179.97 179.49 1cwe h LYS 13 N -0.61 0.00 0.00 0.20 1.57 -1.99 0.33 116.57 116.07 1cwe h LYS 13 Ca 0.03 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1cwe h LYS 13 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1cwe h LYS 13 CO -0.25 0.02 -0.65 -0.44 -0.57 0.00 0.00 179.45 177.56 1cwe h ASP 14 N 0.00 0.00 -0.10 0.86 5.19 -1.60 -2.06 116.42 118.71 1cwe h ASP 14 Ca -0.00 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 1cwe h ASP 14 Cb 0.04 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.56 1cwe h ASP 14 CO 0.00 0.35 -0.71 0.00 -3.12 0.00 0.00 179.24 175.76 1cwe h ALA 15 N 1.65 0.22 -0.52 3.45 0.00 0.24 -2.80 119.26 121.51 1cwe h ALA 15 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1cwe h ALA 15 Cb 1.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1cwe h ALA 15 CO 0.04 0.55 0.34 0.93 0.00 0.00 0.00 179.25 181.12 1cwe h GLU 16 N 0.32 0.69 -0.01 0.00 5.08 -0.54 0.04 114.58 120.16 1cwe h GLU 16 Ca -0.06 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1cwe h GLU 16 Cb 1.36 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1cwe h GLU 16 CO 0.14 0.46 -0.47 0.00 -1.00 0.00 0.00 179.01 178.14 1cwe h ARG 17 N 0.71 0.01 0.12 2.33 2.47 -1.46 -0.50 114.38 118.06 1cwe h ARG 17 Ca 0.19 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 1cwe h ARG 17 Cb -0.08 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1cwe h ARG 17 CO -0.04 0.48 -0.06 0.37 0.56 0.00 0.00 179.97 181.28 1cwe h GLN 18 N 0.01 -0.15 -0.24 0.04 4.15 -1.03 -3.19 115.11 114.70 1cwe h GLN 18 Ca -0.00 0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 1cwe h GLN 18 Cb 0.84 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1cwe h GLN 18 CO 0.06 0.27 -0.43 -0.07 -1.93 0.00 0.00 178.83 176.74 1cwe h LEU 19 N -0.64 0.62 0.00 -2.39 3.38 -0.91 -3.15 115.31 112.23 1cwe h LEU 19 Ca -0.02 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1cwe h LEU 19 Cb 0.49 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1cwe h LEU 19 CO 0.03 0.97 0.00 0.18 0.09 0.00 0.00 178.44 179.71 1cwe n LEU 20 N -4.02 0.00 -4.84 1.67 4.77 -0.21 -4.67 117.00 109.71 1cwe n LEU 20 Ca -0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 1cwe n LEU 20 Cb 0.53 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1cwe n LEU 20 CO 0.46 0.00 0.31 0.00 -1.33 0.00 0.00 177.39 176.83 1cwe s ALA 21 N -2.00 3.48 0.69 -1.18 0.00 -1.19 -5.00 121.76 116.55 1cwe s ALA 21 Ca 0.21 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.95 1cwe s ALA 21 Cb 0.10 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1cwe s ALA 21 CO 0.17 0.41 0.51 -0.35 0.00 0.00 0.00 175.76 176.50 1cwe n PRO 22 N 0.32 0.35 0.00 0.00 -0.04 -1.26 -2.66 135.00 131.71 1cwe n PRO 22 Ca -0.01 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1cwe n PRO 22 Cb 0.52 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1cwe n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cwe n GLY 23 N 1.70 2.83 3.92 0.55 0.00 -1.26 -5.05 105.19 107.88 1cwe n GLY 23 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1cwe n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1cwe s ASN 24 N -1.23 6.37 0.44 1.61 0.01 -1.09 -5.12 114.94 115.94 1cwe s ASN 24 Ca 0.00 0.29 0.03 0.00 -0.71 0.00 0.00 52.86 52.47 1cwe s ASN 24 Cb 0.00 -1.97 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 1cwe s ASN 24 CO 0.00 0.15 0.09 0.42 -1.51 0.00 0.00 177.10 176.25 1cwe s THR 25 N -1.54 0.78 0.38 1.60 -4.23 -1.26 -5.00 115.64 106.36 1cwe s THR 25 Ca 0.36 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 1cwe s THR 25 Cb -0.13 -2.29 -0.11 0.00 1.34 0.00 0.00 72.50 71.32 1cwe s THR 25 CO 0.28 0.00 1.45 -1.00 -0.54 0.00 0.00 174.62 174.81 1cwe s HIS 26 N -3.10 2.64 0.00 3.99 3.76 -1.26 -1.81 115.29 119.51 1cwe s HIS 26 Ca 0.18 1.22 0.00 0.00 -0.15 0.00 0.00 55.06 56.31 1cwe s HIS 26 Cb 0.02 -3.96 0.00 0.00 1.11 0.00 0.00 32.58 29.75 1cwe s HIS 26 CO 0.11 -2.82 0.00 0.41 -0.85 0.00 0.00 174.74 171.59 1cwe n GLY 27 N 0.52 1.97 3.76 -2.22 0.00 0.23 -4.77 105.19 104.67 1cwe n GLY 27 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1cwe n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cwe s SER 28 N -2.53 6.63 0.37 1.61 0.01 -0.75 -0.53 113.70 118.52 1cwe s SER 28 Ca 0.00 2.76 -0.09 0.00 1.31 0.00 0.00 55.95 59.93 1cwe s SER 28 Cb 0.00 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.62 1cwe s SER 28 CO 0.00 -0.67 0.63 0.72 0.41 0.00 0.00 173.24 174.32 1cwe s PHE 29 N -0.67 0.63 -0.09 2.43 -0.71 -1.26 -0.39 117.98 117.92 1cwe s PHE 29 Ca 0.54 -1.07 -0.30 0.00 -1.04 0.00 0.00 56.93 55.05 1cwe s PHE 29 Cb -0.42 0.36 0.08 0.00 -1.21 0.00 0.00 43.02 41.83 1cwe s PHE 29 CO 0.51 -1.36 0.76 -0.48 -1.34 0.00 0.00 175.22 173.32 1cwe s LEU 30 N -3.16 -0.59 -0.19 -1.99 -0.00 -0.68 -4.80 118.68 107.26 1cwe s LEU 30 Ca 0.23 0.70 -0.07 0.00 -0.00 0.00 0.00 54.13 54.99 1cwe s LEU 30 Cb -0.03 2.37 -0.04 0.00 -0.00 0.00 0.00 46.19 48.49 1cwe s LEU 30 CO 0.16 -0.51 0.06 -0.63 -0.00 0.00 0.00 176.35 175.43 1cwe s ILE 31 N -1.04 4.68 0.05 1.48 1.01 0.20 -0.33 121.20 127.25 1cwe s ILE 31 Ca -0.08 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1cwe s ILE 31 Cb -0.01 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1cwe s ILE 31 CO 0.07 0.44 -0.19 0.00 0.00 0.00 0.00 174.94 175.27 1cwe s ARG 32 N 0.54 1.21 -0.13 2.79 1.70 -0.05 -1.00 118.95 124.01 1cwe s ARG 32 Ca 0.03 -0.92 -0.04 0.00 -0.47 0.00 0.00 55.73 54.33 1cwe s ARG 32 Cb -0.13 -1.31 -0.04 0.00 -0.57 0.00 0.00 34.95 32.90 1cwe s ARG 32 CO 0.01 0.33 0.03 -2.00 -1.08 0.00 0.00 175.30 172.59 1cwe s GLU 33 N -1.27 3.42 0.53 3.89 2.12 0.19 -1.64 118.70 125.94 1cwe s GLU 33 Ca 0.05 -0.37 -0.21 0.00 0.36 0.00 0.00 54.97 54.80 1cwe s GLU 33 Cb -0.09 -2.98 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 1cwe s GLU 33 CO 0.02 0.53 1.12 0.45 -0.54 0.00 0.00 175.26 176.83 1cwe n SER 34 N 2.71 1.60 0.10 -1.70 2.88 -0.58 -0.25 113.62 118.39 1cwe n SER 34 Ca -0.18 0.94 0.06 0.00 -1.33 0.00 0.00 58.87 58.35 1cwe n SER 34 Cb 0.53 -1.44 -0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1cwe n SER 34 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1cwe h GLU 35 N 1.16 0.00 -0.03 -1.46 4.81 -1.90 -3.36 114.58 113.81 1cwe h GLU 35 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1cwe h GLU 35 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1cwe h GLU 35 CO 0.55 0.21 -0.09 -1.13 -0.73 0.00 0.00 179.01 177.82 1cwe n SER 36 N -2.93 2.70 -3.35 1.04 3.41 -1.26 -4.72 113.62 108.50 1cwe n SER 36 Ca -0.02 -1.85 -0.16 0.00 -0.26 0.00 0.00 58.87 56.58 1cwe n SER 36 Cb 0.69 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 1cwe n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1cwe s THR 37 N -1.98 -0.38 0.19 6.66 2.01 -1.26 -5.13 115.64 115.75 1cwe s THR 37 Ca 0.25 -0.90 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 1cwe s THR 37 Cb 0.18 -0.64 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 1cwe s THR 37 CO 0.33 -0.54 1.45 0.00 -0.69 0.00 0.00 174.62 175.18 1cwe s ALA 38 N 1.50 3.65 0.00 7.40 0.00 -1.26 -2.13 121.76 130.92 1cwe s ALA 38 Ca 0.17 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1cwe s ALA 38 Cb -0.14 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1cwe s ALA 38 CO -0.05 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1cwe n GLY 39 N 2.92 0.79 3.26 0.00 0.00 -1.26 -5.02 105.19 105.88 1cwe n GLY 39 Ca 0.10 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1cwe n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cwe s SER 40 N -2.15 5.50 0.08 1.61 0.15 -0.91 -4.97 113.70 113.02 1cwe s SER 40 Ca 0.00 -1.43 0.03 0.00 0.70 0.00 0.00 55.95 55.25 1cwe s SER 40 Cb 0.00 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1cwe s SER 40 CO 0.00 -0.47 0.08 -0.36 1.20 0.00 0.00 173.24 173.69 1cwe s PHE 41 N 1.39 3.19 -0.01 3.44 0.08 -1.26 -1.52 117.98 123.29 1cwe s PHE 41 Ca 0.02 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1cwe s PHE 41 Cb -0.22 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1cwe s PHE 41 CO 0.02 0.52 -0.01 -1.12 -0.10 0.00 0.00 175.22 174.53 1cwe s SER 42 N -2.39 0.20 -0.18 1.36 0.01 -0.65 -2.36 113.70 109.69 1cwe s SER 42 Ca 0.29 -0.02 -0.13 0.00 1.31 0.00 0.00 55.95 57.40 1cwe s SER 42 Cb -0.12 -0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1cwe s SER 42 CO 0.22 -0.01 0.27 -0.22 0.41 0.00 0.00 173.24 173.91 1cwe s LEU 43 N 0.23 4.21 -0.19 2.44 2.96 0.10 -0.87 118.68 127.55 1cwe s LEU 43 Ca -0.02 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1cwe s LEU 43 Cb -0.04 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1cwe s LEU 43 CO -0.01 0.07 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.54 1cwe s SER 44 N 0.63 3.79 -0.09 3.68 0.01 0.56 -1.17 113.70 121.11 1cwe s SER 44 Ca 0.15 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1cwe s SER 44 Cb -0.13 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 1cwe s SER 44 CO 0.04 0.02 -0.21 -0.69 0.41 0.00 0.00 173.24 172.81 1cwe s VAL 45 N 1.19 2.33 -0.00 3.43 1.01 0.26 -1.69 120.40 126.92 1cwe s VAL 45 Ca 0.02 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 1cwe s VAL 45 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1cwe s VAL 45 CO -0.05 0.56 0.81 -0.60 0.00 0.00 0.00 175.10 175.82 1cwe s ARG 46 N 0.09 4.50 0.31 2.72 3.00 0.48 0.50 118.95 130.56 1cwe s ARG 46 Ca -0.10 1.11 -0.11 0.00 -1.00 0.00 0.00 55.73 55.63 1cwe s ARG 46 Cb -0.16 -3.42 0.01 0.00 0.00 0.00 0.00 34.95 31.39 1cwe s ARG 46 CO 0.06 0.11 0.56 0.34 0.00 0.00 0.00 175.30 176.37 1cwe s ASP 47 N 0.54 0.23 -0.11 -2.12 2.15 -0.54 0.77 116.67 117.59 1cwe s ASP 47 Ca 0.42 -1.12 -0.06 0.00 0.43 0.00 0.00 52.55 52.22 1cwe s ASP 47 Cb -0.20 0.68 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 1cwe s ASP 47 CO 0.23 -1.33 0.10 0.12 -0.17 0.00 0.00 175.17 174.12 1cwe s PHE 48 N -3.34 3.46 -0.14 -5.34 2.19 -1.26 -0.80 117.98 112.75 1cwe s PHE 48 Ca 0.23 0.41 0.01 0.00 0.33 0.00 0.00 56.93 57.91 1cwe s PHE 48 Cb -0.02 -1.91 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 1cwe s PHE 48 CO 0.13 0.63 -0.17 0.34 1.83 0.00 0.00 175.22 177.98 1cwe s ASP 49 N -0.90 2.77 0.60 6.13 2.15 -0.00 -4.90 116.67 122.51 1cwe s ASP 49 Ca 0.14 -0.52 0.29 0.00 0.43 0.00 0.00 52.55 52.89 1cwe s ASP 49 Cb -0.12 -1.25 1.30 0.00 -0.30 0.00 0.00 42.92 42.55 1cwe s ASP 49 CO 0.03 0.01 1.69 -0.61 -0.17 0.00 0.00 175.17 176.12 1cwe h GLN 50 N 7.64 0.00 0.03 4.34 5.75 -1.99 0.80 115.11 131.68 1cwe h GLN 50 Ca -0.35 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 57.85 1cwe h GLN 50 Cb 1.16 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.68 1cwe h GLN 50 CO 0.54 0.00 -1.63 0.09 -2.65 0.00 0.00 178.83 175.17 1cwe n ASN 51 N -3.55 1.93 -0.82 -0.69 3.02 -1.26 -4.67 115.26 109.22 1cwe n ASN 51 Ca 0.14 0.35 0.10 0.00 -0.03 0.00 0.00 54.58 55.14 1cwe n ASN 51 Cb 1.00 -0.91 0.09 0.00 -0.61 0.00 0.00 39.78 39.36 1cwe n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cwe n GLN 52 N -4.18 1.83 0.00 3.52 6.02 -1.03 -5.09 117.38 118.45 1cwe n GLN 52 Ca -0.36 -1.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.90 1cwe n GLN 52 Cb 0.79 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1cwe n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cwe n GLY 53 N 1.14 -0.43 3.62 1.08 0.00 0.25 -4.76 105.19 106.08 1cwe n GLY 53 Ca 0.12 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 1cwe n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cwe s GLU 54 N 0.00 3.47 0.40 1.61 0.41 -1.26 -0.82 118.70 122.50 1cwe s GLU 54 Ca 0.00 2.11 0.06 0.00 -0.41 0.00 0.00 54.97 56.72 1cwe s GLU 54 Cb 0.00 -4.28 -0.07 0.00 -1.78 0.00 0.00 34.13 28.00 1cwe s GLU 54 CO 0.00 -1.72 0.02 0.14 -0.49 0.00 0.00 175.26 173.22 1cwe s VAL 55 N 6.93 1.71 -0.08 2.63 -7.23 0.02 -4.94 120.40 119.44 1cwe s VAL 55 Ca 0.93 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1cwe s VAL 55 Cb -0.34 -2.86 0.02 0.00 0.56 0.00 0.00 36.38 33.76 1cwe s VAL 55 CO 0.36 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.42 1cwe s VAL 56 N -2.87 0.65 -0.07 1.32 1.01 -1.26 -1.47 120.40 117.72 1cwe s VAL 56 Ca 0.32 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 1cwe s VAL 56 Cb 0.09 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1cwe s VAL 56 CO 0.16 0.29 0.14 -0.54 0.00 0.00 0.00 175.10 175.15 1cwe s LYS 57 N 1.63 3.38 -0.17 2.72 1.02 0.18 -4.90 119.74 123.60 1cwe s LYS 57 Ca 0.01 -0.25 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 1cwe s LYS 57 Cb -0.13 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1cwe s LYS 57 CO -0.05 0.73 -0.09 -1.01 -0.92 0.00 0.00 175.35 174.01 1cwe s HIS 58 N -1.14 2.88 -0.09 3.18 3.76 -1.26 -0.58 115.29 122.05 1cwe s HIS 58 Ca 0.20 -0.79 0.03 0.00 -0.15 0.00 0.00 55.06 54.35 1cwe s HIS 58 Cb -0.12 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1cwe s HIS 58 CO 0.10 -0.36 -0.18 0.71 -0.85 0.00 0.00 174.74 174.16 1cwe s TYR 59 N 0.84 2.65 -0.31 1.40 2.02 -0.32 -4.98 117.35 118.65 1cwe s TYR 59 Ca -0.03 -0.59 -0.26 0.00 -0.37 0.00 0.00 57.07 55.82 1cwe s TYR 59 Cb -0.15 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1cwe s TYR 59 CO 0.01 -0.14 0.94 0.21 -1.57 0.00 0.00 175.55 175.00 1cwe s LYS 60 N -0.07 4.01 -0.21 -0.62 2.47 -1.26 -0.72 119.74 123.34 1cwe s LYS 60 Ca -0.04 0.84 -0.24 0.00 -1.56 0.00 0.00 55.97 54.98 1cwe s LYS 60 Cb -0.14 -3.73 -0.01 0.00 -1.46 0.00 0.00 37.83 32.48 1cwe s LYS 60 CO 0.04 -0.80 0.77 0.42 0.16 0.00 0.00 175.35 175.94 1cwe s ILE 61 N 3.32 4.90 0.36 5.43 1.01 -1.00 -4.58 121.20 130.65 1cwe s ILE 61 Ca 0.39 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.52 1cwe s ILE 61 Cb -0.13 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 1cwe s ILE 61 CO 0.14 0.00 0.55 -0.13 0.00 0.00 0.00 174.94 175.51 1cwe s ARG 62 N 2.42 3.31 -0.01 2.79 1.81 0.14 -4.42 118.95 124.98 1cwe s ARG 62 Ca 0.34 -0.51 0.05 0.00 -1.72 0.00 0.00 55.73 53.88 1cwe s ARG 62 Cb -0.16 -2.68 -0.03 0.00 -0.45 0.00 0.00 34.95 31.64 1cwe s ARG 62 CO 0.10 0.04 -0.15 -0.80 -0.68 0.00 0.00 175.30 173.81 1cwe s ASN 63 N -4.10 4.01 0.07 0.23 0.02 -1.26 -1.41 114.94 112.50 1cwe s ASN 63 Ca 0.42 -0.27 0.01 0.00 -1.02 0.00 0.00 52.86 52.00 1cwe s ASN 63 Cb -0.10 -0.79 -0.04 0.00 0.02 0.00 0.00 41.25 40.35 1cwe s ASN 63 CO 0.35 0.30 0.18 -0.76 0.02 0.00 0.00 177.10 177.19 1cwe s LEU 64 N -1.08 4.21 0.08 0.60 1.43 0.20 -4.98 118.68 119.14 1cwe s LEU 64 Ca 0.13 0.19 0.14 0.00 -1.03 0.00 0.00 54.13 53.56 1cwe s LEU 64 Cb -0.11 -2.83 0.60 0.00 0.03 0.00 0.00 46.19 43.89 1cwe s LEU 64 CO 0.03 0.17 1.42 0.47 0.23 0.00 0.00 176.35 178.67 1cwe n ASP 65 N 0.31 0.19 -0.51 2.29 8.00 -1.26 -0.22 116.55 125.34 1cwe n ASP 65 Ca -0.06 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.12 1cwe n ASP 65 Cb 0.51 -0.59 0.45 0.00 -0.02 0.00 0.00 41.12 41.47 1cwe n ASP 65 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1cwe n ASN 66 N -1.72 1.57 0.00 -2.24 6.94 -1.26 -4.88 115.26 113.67 1cwe n ASN 66 Ca 0.02 -1.60 0.00 0.00 -0.02 0.00 0.00 54.58 52.98 1cwe n ASN 66 Cb 0.13 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1cwe n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cwe n GLY 67 N 1.15 0.72 3.88 4.83 0.00 0.69 -5.06 105.19 111.39 1cwe n GLY 67 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1cwe n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cwe s GLY 68 N -1.50 1.59 0.10 -0.02 0.00 -1.23 -4.79 107.32 101.47 1cwe s GLY 68 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.17 1cwe s GLY 68 CO 0.00 -0.10 -0.12 -1.36 0.00 0.00 0.00 173.10 171.52 1cwe s PHE 69 N -3.50 1.17 -0.15 1.90 0.08 0.53 -0.63 117.98 117.39 1cwe s PHE 69 Ca 0.62 -0.59 -0.28 0.00 0.12 0.00 0.00 56.93 56.80 1cwe s PHE 69 Cb -0.12 -0.64 0.08 0.00 -0.57 0.00 0.00 43.02 41.78 1cwe s PHE 69 CO 0.50 0.05 0.74 1.52 -0.10 0.00 0.00 175.22 177.94 1cwe s TYR 70 N -2.12 -0.67 -0.26 0.36 1.13 -0.50 -0.13 117.35 115.16 1cwe s TYR 70 Ca 0.05 1.38 0.01 0.00 -1.41 0.00 0.00 57.07 57.09 1cwe s TYR 70 Cb -0.05 0.36 -0.17 0.00 -1.10 0.00 0.00 41.96 41.00 1cwe s TYR 70 CO 0.01 -0.48 -0.23 -0.89 -2.51 0.00 0.00 175.55 171.45 1cwe n ILE 71 N 1.62 1.49 -4.98 -3.49 5.41 -1.26 -0.69 119.36 117.46 1cwe n ILE 71 Ca -0.16 -0.56 -0.32 0.00 1.00 0.00 0.00 62.75 62.71 1cwe n ILE 71 Cb 0.56 -1.45 -0.14 0.00 -0.71 0.00 0.00 39.64 37.90 1cwe n ILE 71 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1cwe s SER 72 N -6.58 3.72 0.00 4.38 0.15 -1.26 -4.91 113.70 109.19 1cwe s SER 72 Ca -0.35 -0.33 0.10 0.00 0.70 0.00 0.00 55.95 56.07 1cwe s SER 72 Cb 0.09 -1.03 0.59 0.00 -1.71 0.00 0.00 66.02 63.97 1cwe s SER 72 CO 0.59 0.27 1.07 -0.81 1.20 0.00 0.00 173.24 175.57 1cwe n PRO 73 N 2.81 0.29 0.18 5.44 -0.04 -1.26 -2.11 135.00 140.31 1cwe n PRO 73 Ca -0.17 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1cwe n PRO 73 Cb 0.52 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.59 1cwe n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cwe h ARG 74 N 0.00 0.00 -2.51 0.54 3.08 -2.01 -3.44 114.38 110.05 1cwe h ARG 74 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1cwe h ARG 74 Cb 0.01 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.80 1cwe h ARG 74 CO 0.00 0.13 -0.30 -1.50 -1.07 0.00 0.00 179.97 177.23 1cwe s ILE 75 N -3.16 -0.38 0.19 2.04 1.10 -0.90 -5.16 121.20 114.93 1cwe s ILE 75 Ca 0.05 0.12 0.11 0.00 -0.51 0.00 0.00 60.65 60.42 1cwe s ILE 75 Cb 0.06 -0.68 -0.04 0.00 0.15 0.00 0.00 42.46 41.95 1cwe s ILE 75 CO 0.71 0.05 -0.24 0.42 -2.11 0.00 0.00 174.94 173.77 1cwe s THR 76 N 2.10 2.39 0.07 4.00 -4.23 -1.26 -4.35 115.64 114.36 1cwe s THR 76 Ca -0.05 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.53 1cwe s THR 76 Cb -0.10 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 1cwe s THR 76 CO -0.14 -0.10 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.33 1cwe s PHE 77 N -1.61 1.40 0.28 3.99 0.40 0.81 -4.95 117.98 118.29 1cwe s PHE 77 Ca 0.20 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1cwe s PHE 77 Cb -0.08 -0.79 0.40 0.00 0.51 0.00 0.00 43.02 43.07 1cwe s PHE 77 CO 0.10 0.09 1.71 -1.00 0.70 0.00 0.00 175.22 176.82 1cwe h PRO 78 N 4.35 0.46 0.00 0.24 0.13 -1.92 0.15 132.00 135.42 1cwe h PRO 78 Ca -0.42 -0.18 -0.21 0.00 -0.87 0.00 0.00 66.00 64.32 1cwe h PRO 78 Cb 1.19 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1cwe h PRO 78 CO 0.41 0.70 -0.16 0.41 -0.23 0.00 0.00 178.00 179.13 1cwe n GLY 79 N -0.34 2.78 0.21 1.56 0.00 -1.26 -4.54 105.19 103.60 1cwe n GLY 79 Ca -0.01 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 1cwe n GLY 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cwe h LEU 80 N 0.00 0.64 -0.91 0.99 3.38 -1.96 -2.75 115.31 114.70 1cwe h LEU 80 Ca -0.16 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1cwe h LEU 80 Cb 0.74 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1cwe h LEU 80 CO 0.22 1.11 0.33 0.45 0.09 0.00 0.00 178.44 180.64 1cwe h HIS 81 N 0.41 1.13 -0.47 1.13 3.86 -1.98 -0.96 115.15 118.27 1cwe h HIS 81 Ca -0.01 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 58.99 1cwe h HIS 81 Cb 1.19 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1cwe h HIS 81 CO 0.05 0.84 -0.25 0.93 0.86 0.00 0.00 177.93 180.36 1cwe h GLU 82 N 1.10 0.99 -0.75 2.45 3.07 -1.96 -0.60 114.58 118.88 1cwe h GLU 82 Ca 0.26 -0.45 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 1cwe h GLU 82 Cb 0.17 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1cwe h GLU 82 CO -0.03 1.12 0.25 1.25 -1.40 0.00 0.00 179.01 180.20 1cwe h LEU 83 N 0.85 1.09 -0.45 1.33 6.46 -1.19 -2.25 115.31 121.14 1cwe h LEU 83 Ca 0.10 -0.20 -0.17 0.00 -0.12 0.00 0.00 57.88 57.50 1cwe h LEU 83 Cb 0.84 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1cwe h LEU 83 CO 0.07 1.00 -0.54 0.58 -0.62 0.00 0.00 178.44 178.93 1cwe h VAL 84 N 1.12 1.30 -0.37 1.05 2.07 -1.04 -2.68 116.25 117.71 1cwe h VAL 84 Ca 0.24 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.86 1cwe h VAL 84 Cb 0.29 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1cwe h VAL 84 CO -0.01 0.56 -0.34 -0.09 0.02 0.00 0.00 177.57 177.70 1cwe h ARG 85 N 0.51 0.84 0.89 1.57 2.43 -1.04 -2.53 114.38 117.05 1cwe h ARG 85 Ca 0.01 -0.41 -0.04 0.00 -0.81 0.00 0.00 59.98 58.73 1cwe h ARG 85 Cb 1.10 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1cwe h ARG 85 CO 0.11 1.05 -0.46 1.25 -1.51 0.00 0.00 179.97 180.41 1cwe h HIS 86 N 0.70 -1.21 0.00 2.20 2.76 -1.27 -3.00 115.15 115.33 1cwe h HIS 86 Ca 0.07 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1cwe h HIS 86 Cb 0.90 0.41 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1cwe h HIS 86 CO 0.05 -0.73 0.00 0.66 -1.30 0.00 0.00 177.93 176.62 1cwe n TYR 87 N -5.43 0.00 0.46 5.26 4.01 -1.02 -1.83 117.16 118.61 1cwe n TYR 87 Ca -0.15 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.71 1cwe n TYR 87 Cb 0.50 -0.33 0.14 0.00 -0.31 0.00 0.00 39.34 39.33 1cwe n TYR 87 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1cwe h THR 88 N 0.00 0.00 -0.00 -0.72 2.02 -1.31 -0.12 112.91 112.77 1cwe h THR 88 Ca 0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1cwe h THR 88 Cb 0.10 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1cwe h THR 88 CO 0.00 0.00 -0.41 0.59 0.37 0.00 0.00 175.52 176.07 1cwe n ASN 89 N -2.26 0.85 -3.64 4.18 5.03 -0.76 -4.67 115.26 113.99 1cwe n ASN 89 Ca 0.03 -0.92 -0.06 0.00 0.87 0.00 0.00 54.58 54.49 1cwe n ASN 89 Cb 0.46 0.79 -0.07 0.00 -1.02 0.00 0.00 39.78 39.94 1cwe n ASN 89 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1cwe s ALA 90 N -1.83 -2.08 0.22 5.41 0.00 -1.00 -5.03 121.76 117.45 1cwe s ALA 90 Ca 0.06 2.08 -0.04 0.00 0.00 0.00 0.00 51.96 54.06 1cwe s ALA 90 Cb 0.09 -1.54 0.21 0.00 0.00 0.00 0.00 23.12 21.88 1cwe s ALA 90 CO 0.39 -0.30 1.65 0.66 0.00 0.00 0.00 175.76 178.16 1cwe h SER 91 N 5.28 0.79 -7.01 0.00 4.64 -1.84 -3.35 113.55 112.07 1cwe h SER 91 Ca -0.28 -0.27 -0.60 0.00 -0.47 0.00 0.00 61.79 60.17 1cwe h SER 91 Cb 1.19 -0.22 -0.16 0.00 -0.31 0.00 0.00 62.40 62.91 1cwe h SER 91 CO 0.15 0.96 -0.95 -0.67 -0.87 0.00 0.00 176.83 175.45 1cwe n ASP 92 N -4.13 -0.32 0.00 4.97 2.03 -1.26 0.61 116.55 118.45 1cwe n ASP 92 Ca 0.01 -1.24 0.00 0.00 0.52 0.00 0.00 54.79 54.07 1cwe n ASP 92 Cb 0.41 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.28 1cwe n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cwe n GLY 93 N -2.42 2.34 3.72 0.27 0.00 -1.26 -5.05 105.19 102.79 1cwe n GLY 93 Ca -0.26 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1cwe n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cwe s LEU 94 N 0.00 2.95 0.58 0.99 2.96 0.20 -4.91 118.68 121.46 1cwe s LEU 94 Ca 0.00 2.05 0.34 0.00 -0.22 0.00 0.00 54.13 56.30 1cwe s LEU 94 Cb 0.00 -4.55 1.79 0.00 0.50 0.00 0.00 46.19 43.93 1cwe s LEU 94 CO 0.00 -2.61 2.17 0.00 -1.32 0.00 0.00 176.35 174.59 1cwe s THR 96 N -4.14 0.00 0.54 0.00 -1.32 -1.26 -5.06 115.64 104.40 1cwe s THR 96 Ca -0.03 -0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.28 1cwe s THR 96 Cb 0.13 -1.01 -0.06 0.00 -1.51 0.00 0.00 72.50 70.05 1cwe s THR 96 CO 0.52 0.00 1.02 -0.60 -2.21 0.00 0.00 174.62 173.35 1cwe s ARG 97 N -2.77 3.69 0.35 7.08 3.52 -1.26 -4.69 118.95 124.88 1cwe s ARG 97 Ca 0.07 1.10 -0.18 0.00 -0.13 0.00 0.00 55.73 56.59 1cwe s ARG 97 Cb -0.01 -2.09 -0.10 0.00 -1.56 0.00 0.00 34.95 31.19 1cwe s ARG 97 CO -0.07 -0.50 0.82 -0.51 -0.81 0.00 0.00 175.30 174.24 1cwe s LEU 98 N -4.16 4.05 0.00 -0.88 1.43 -0.06 -4.46 118.68 114.60 1cwe s LEU 98 Ca 0.62 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 1cwe s LEU 98 Cb -0.13 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.88 1cwe s LEU 98 CO 0.32 -0.24 0.00 -1.20 0.23 0.00 0.00 176.35 175.46 1cwe n SER 99 N -0.34 0.00 0.00 2.29 7.64 0.32 -4.48 113.62 119.04 1cwe n SER 99 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1cwe n SER 99 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1cwe n SER 99 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57