#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuz s ASN 2 N 0.00 1.37 -0.07 1.61 -0.87 -1.26 -5.01 114.94 110.72 1wuz s ASN 2 Ca 0.00 -0.19 0.04 0.00 -1.57 0.00 0.00 52.86 51.14 1wuz s ASN 2 Cb 0.00 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.25 40.56 1wuz s ASN 2 CO 0.00 -0.05 -0.00 -0.24 -2.57 0.00 0.00 177.10 174.24 1wuz n SER 3 N 4.16 3.43 -4.24 -1.22 2.88 -1.26 -4.91 113.62 112.46 1wuz n SER 3 Ca -0.21 -0.01 -0.34 0.00 -1.33 0.00 0.00 58.87 56.98 1wuz n SER 3 Cb 0.51 0.44 -0.15 0.00 -0.75 0.00 0.00 64.21 64.26 1wuz n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wuz s GLN 4 N -2.15 3.21 0.15 -1.46 0.00 -1.25 -0.79 119.66 117.37 1wuz s GLN 4 Ca -0.05 -0.73 0.08 0.00 -0.00 0.00 0.00 55.36 54.67 1wuz s GLN 4 Cb 0.02 -2.75 -0.04 0.00 0.00 0.00 0.00 33.01 30.24 1wuz s GLN 4 CO 0.24 -0.12 -0.19 -1.50 0.00 0.00 0.00 175.29 173.72 1wuz s ILE 5 N 1.18 1.81 -0.09 3.63 1.10 -0.96 -5.00 121.20 122.87 1wuz s ILE 5 Ca 0.02 -1.85 0.01 0.00 -0.51 0.00 0.00 60.65 58.32 1wuz s ILE 5 Cb -0.14 -1.79 0.02 0.00 0.15 0.00 0.00 42.46 40.69 1wuz s ILE 5 CO -0.05 -0.26 -0.10 -1.00 -2.11 0.00 0.00 174.94 171.42 1wuz s HIS 6 N -1.87 1.44 0.47 3.50 3.76 -1.25 -0.40 115.29 120.95 1wuz s HIS 6 Ca 0.14 -0.62 0.04 0.00 -0.15 0.00 0.00 55.06 54.47 1wuz s HIS 6 Cb -0.07 -1.13 -0.04 0.00 1.11 0.00 0.00 32.58 32.46 1wuz s HIS 6 CO 0.06 -0.38 0.01 0.71 -0.85 0.00 0.00 174.74 174.29 1wuz s TYR 7 N 1.13 2.15 -0.04 1.40 2.02 -0.60 -5.00 117.35 118.40 1wuz s TYR 7 Ca -0.06 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 55.84 1wuz s TYR 7 Cb -0.14 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 1wuz s TYR 7 CO -0.02 0.32 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.03 1wuz s SER 8 N -3.81 1.71 -0.15 2.29 0.01 -1.09 -2.71 113.70 109.95 1wuz s SER 8 Ca 0.19 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 57.10 1wuz s SER 8 Cb 0.05 -0.53 0.06 0.00 0.21 0.00 0.00 66.02 65.81 1wuz s SER 8 CO 0.10 0.10 0.34 -0.51 0.41 0.00 0.00 173.24 173.67 1wuz s ILE 9 N 0.22 -0.09 0.10 1.44 2.07 -1.04 -4.45 121.20 119.45 1wuz s ILE 9 Ca -0.06 0.13 -0.31 0.00 -1.41 0.00 0.00 60.65 59.00 1wuz s ILE 9 Cb -0.11 -0.52 -0.08 0.00 0.13 0.00 0.00 42.46 41.88 1wuz s ILE 9 CO 0.02 0.05 1.37 -2.16 -1.91 0.00 0.00 174.94 172.31 1wuz s PRO 10 N 1.48 4.33 0.62 3.50 0.04 -1.26 -2.20 135.00 141.51 1wuz s PRO 10 Ca -0.08 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 1wuz s PRO 10 Cb -0.10 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1wuz s PRO 10 CO -0.11 -0.42 0.36 0.39 0.04 0.00 0.00 177.00 177.26 1wuz n GLU 11 N 4.03 0.34 -1.36 4.56 1.02 -1.06 -1.27 120.64 126.90 1wuz n GLU 11 Ca 0.11 0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1wuz n GLU 11 Cb 0.43 -1.59 -0.05 0.00 -0.02 0.00 0.00 31.44 30.21 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1wuz n GLU 12 N 0.12 -1.30 -1.54 3.49 2.13 -0.46 -4.84 120.64 118.23 1wuz n GLU 12 Ca 0.10 0.91 -0.36 0.00 0.66 0.00 0.00 57.16 58.46 1wuz n GLU 12 Cb 0.48 -5.13 -0.05 0.00 0.27 0.00 0.00 31.44 27.01 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wuz n ALA 13 N 1.23 0.68 -1.40 4.31 0.00 -0.40 -4.68 120.51 120.24 1wuz n ALA 13 Ca -0.12 -0.84 -0.37 0.00 0.00 0.00 0.00 53.44 52.11 1wuz n ALA 13 Cb 0.52 -3.04 0.05 0.00 0.00 0.00 0.00 19.45 16.98 1wuz n ALA 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wuz n LYS 14 N 8.89 0.47 -1.61 0.00 3.00 -1.26 -4.64 118.16 123.00 1wuz n LYS 14 Ca 0.43 0.19 -0.51 0.00 -0.00 0.00 0.00 58.31 58.42 1wuz n LYS 14 Cb 0.45 -1.80 -0.06 0.00 0.00 0.00 0.00 35.03 33.62 1wuz n LYS 14 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1wuz n HIS 15 N -1.98 1.69 0.00 5.64 -0.00 -1.26 -2.09 115.22 117.21 1wuz n HIS 15 Ca 0.11 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.39 1wuz n HIS 15 Cb 0.48 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.09 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wuz n GLY 16 N 2.78 0.74 3.69 1.57 0.00 -1.04 -4.88 105.19 108.04 1wuz n GLY 16 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1wuz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuz s THR 17 N -2.00 4.93 0.47 2.61 2.01 -0.89 -4.62 115.64 118.15 1wuz s THR 17 Ca 0.00 1.66 -0.23 0.00 0.31 0.00 0.00 61.69 63.43 1wuz s THR 17 Cb 0.00 -4.14 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 1wuz s THR 17 CO 0.00 0.13 1.18 0.12 -0.69 0.00 0.00 174.62 175.35 1wuz s PHE 18 N 1.47 2.84 0.00 4.92 2.19 -1.26 -0.93 117.98 127.22 1wuz s PHE 18 Ca 0.41 1.53 0.00 0.00 0.33 0.00 0.00 56.93 59.20 1wuz s PHE 18 Cb -0.18 -3.40 0.00 0.00 -1.31 0.00 0.00 43.02 38.13 1wuz s PHE 18 CO 0.17 -1.58 0.00 0.28 1.83 0.00 0.00 175.22 175.92 1wuz n VAL 19 N -0.53 0.00 -3.58 3.12 0.31 -0.99 -4.81 118.33 111.85 1wuz n VAL 19 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1wuz n VAL 19 Cb 0.48 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1wuz n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wuz n GLY 20 N 3.23 0.88 3.17 2.92 0.00 -1.26 -2.69 105.19 111.45 1wuz n GLY 20 Ca 0.00 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 1wuz n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wuz s ARG 21 N -1.53 2.31 0.04 1.61 0.52 -1.26 -3.33 118.95 117.31 1wuz s ARG 21 Ca 0.00 -1.82 -0.18 0.00 -0.52 0.00 0.00 55.73 53.21 1wuz s ARG 21 Cb 0.00 -3.80 -0.16 0.00 0.52 0.00 0.00 34.95 31.51 1wuz s ARG 21 CO 0.00 -1.15 1.27 0.97 0.02 0.00 0.00 175.30 176.40 1wuz h ILE 22 N 6.19 1.37 -0.16 1.52 2.10 -1.96 -2.74 117.51 123.82 1wuz h ILE 22 Ca -0.17 -1.67 -0.10 0.00 1.08 0.00 0.00 64.86 64.00 1wuz h ILE 22 Cb 1.06 2.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 1wuz h ILE 22 CO 0.80 0.50 -0.29 0.00 -1.08 0.00 0.00 178.15 178.07 1wuz h ALA 23 N 0.52 0.25 -0.20 0.18 0.00 -1.93 -2.31 119.26 115.77 1wuz h ALA 23 Ca -0.01 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.55 1wuz h ALA 23 Cb 0.99 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1wuz h ALA 23 CO 0.08 0.26 -0.14 0.37 0.00 0.00 0.00 179.25 179.82 1wuz h GLN 24 N 0.11 -0.14 0.00 0.00 -0.00 -1.88 0.27 115.11 113.47 1wuz h GLN 24 Ca 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1wuz h GLN 24 Cb 0.88 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.39 1wuz h GLN 24 CO 0.07 -0.09 0.00 -0.25 0.00 0.00 0.00 178.83 178.55 1wuz n ASP 25 N -5.30 0.03 0.02 -0.69 8.00 -1.03 -2.88 116.55 114.71 1wuz n ASP 25 Ca -0.02 0.51 -0.20 0.00 0.71 0.00 0.00 54.79 55.79 1wuz n ASP 25 Cb 0.22 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.66 1wuz n ASP 25 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wuz h LEU 26 N 0.00 0.43 0.00 0.64 4.07 -0.17 -3.41 115.31 116.87 1wuz h LEU 26 Ca 0.00 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 57.12 1wuz h LEU 26 Cb 0.32 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1wuz h LEU 26 CO 0.00 1.74 0.00 0.61 -1.08 0.00 0.00 178.44 179.71 1wuz n GLY 27 N 1.90 0.64 3.93 0.83 0.00 0.66 -4.82 105.19 108.33 1wuz n GLY 27 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1wuz n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuz s LEU 28 N 0.00 3.56 -0.26 0.99 1.43 -1.25 -5.04 118.68 118.11 1wuz s LEU 28 Ca 0.00 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.40 1wuz s LEU 28 Cb 0.00 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.77 1wuz s LEU 28 CO 0.00 -0.74 1.02 -1.61 0.23 0.00 0.00 176.35 175.25 1wuz s GLU 29 N -4.71 4.19 0.56 1.70 0.41 -1.26 -4.89 118.70 114.70 1wuz s GLU 29 Ca 0.49 1.22 0.31 0.00 -0.41 0.00 0.00 54.97 56.57 1wuz s GLU 29 Cb -0.10 -3.67 1.65 0.00 -1.78 0.00 0.00 34.13 30.23 1wuz s GLU 29 CO 0.42 -0.70 2.14 -0.07 -0.49 0.00 0.00 175.26 176.56 1wuz h LEU 30 N 9.60 0.00 -0.42 1.80 3.38 -1.96 -0.52 115.31 127.19 1wuz h LEU 30 Ca -0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wuz h LEU 30 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1wuz h LEU 30 CO 0.98 0.07 0.00 1.07 0.09 0.00 0.00 178.44 180.65 1wuz n THR 31 N -3.54 0.06 -0.61 0.22 5.66 -1.26 -3.25 114.28 111.57 1wuz n THR 31 Ca -0.02 -0.13 0.02 0.00 -3.05 0.00 0.00 64.05 60.87 1wuz n THR 31 Cb 0.19 -0.05 0.02 0.00 -1.55 0.00 0.00 70.33 68.95 1wuz n THR 31 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1wuz n GLU 32 N -0.39 1.69 -0.14 1.09 -0.58 -0.22 -4.77 120.64 117.32 1wuz n GLU 32 Ca 0.16 -1.38 -0.10 0.00 -0.42 0.00 0.00 57.16 55.42 1wuz n GLU 32 Cb 0.18 -0.91 -0.01 0.00 -0.57 0.00 0.00 31.44 30.12 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wuz h LEU 33 N 0.00 0.72 0.19 -4.62 3.38 -1.50 -1.00 115.31 112.49 1wuz h LEU 33 Ca 0.00 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1wuz h LEU 33 Cb 0.79 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1wuz h LEU 33 CO 0.00 0.86 -0.43 0.58 0.09 0.00 0.00 178.44 179.54 1wuz h VAL 34 N 0.57 0.14 0.00 1.22 2.07 -1.86 -1.48 116.25 116.91 1wuz h VAL 34 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wuz h VAL 34 Cb 0.49 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1wuz h VAL 34 CO 0.02 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.16 1wuz h PRO 35 N -0.71 0.00 -0.21 1.57 0.13 -1.90 -2.38 132.00 128.49 1wuz h PRO 35 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wuz h PRO 35 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1wuz h PRO 35 CO -0.20 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.11 1wuz n ARG 36 N -2.46 1.66 -3.83 0.86 1.74 -0.38 -4.93 116.66 109.31 1wuz n ARG 36 Ca 0.02 -1.00 -0.30 0.00 -0.77 0.00 0.00 57.85 55.79 1wuz n ARG 36 Cb 0.24 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.38 1wuz n ARG 36 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1wuz n LEU 37 N 0.26 -2.34 -4.69 0.55 -0.00 -0.90 -1.58 117.00 108.31 1wuz n LEU 37 Ca 0.14 -1.04 -0.42 0.00 -0.00 0.00 0.00 56.01 54.68 1wuz n LEU 37 Cb 0.28 -2.25 -0.03 0.00 -0.00 0.00 0.00 43.42 41.42 1wuz n LEU 37 CO 0.10 0.49 0.88 0.12 -0.00 0.00 0.00 177.39 178.98 1wuz s PHE 38 N -3.68 3.34 0.05 1.96 5.36 -1.04 -2.74 117.98 121.24 1wuz s PHE 38 Ca 0.28 1.37 -0.06 0.00 -0.96 0.00 0.00 56.93 57.56 1wuz s PHE 38 Cb -0.11 -3.33 -0.01 0.00 -0.34 0.00 0.00 43.02 39.23 1wuz s PHE 38 CO 0.88 -0.90 0.10 0.50 -1.46 0.00 0.00 175.22 174.35 1wuz s ARG 39 N 1.98 0.67 -0.02 10.12 3.52 0.57 -5.00 118.95 130.79 1wuz s ARG 39 Ca 0.54 -0.90 0.04 0.00 -0.13 0.00 0.00 55.73 55.28 1wuz s ARG 39 Cb -0.23 0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 33.42 1wuz s ARG 39 CO 0.22 -0.18 -0.13 0.08 -0.81 0.00 0.00 175.30 174.48 1wuz s VAL 40 N -3.21 1.05 0.36 7.11 1.01 -1.26 -0.50 120.40 124.95 1wuz s VAL 40 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1wuz s VAL 40 Cb 0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1wuz s VAL 40 CO -0.07 0.31 0.46 0.00 0.00 0.00 0.00 175.10 175.79 1wuz s ALA 41 N -0.06 1.06 0.08 5.51 0.00 0.16 -4.87 121.76 123.63 1wuz s ALA 41 Ca 0.00 -1.68 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 1wuz s ALA 41 Cb -0.08 1.21 0.08 0.00 0.00 0.00 0.00 23.12 24.33 1wuz s ALA 41 CO 0.00 -0.77 0.68 -1.54 0.00 0.00 0.00 175.76 174.13 1wuz s SER 42 N -3.29 -0.54 0.00 0.00 1.04 -1.26 -1.64 113.70 108.01 1wuz s SER 42 Ca 0.33 0.15 0.19 0.00 0.48 0.00 0.00 55.95 57.10 1wuz s SER 42 Cb -0.00 0.54 0.88 0.00 0.10 0.00 0.00 66.02 67.54 1wuz s SER 42 CO 0.23 -0.82 1.60 0.29 0.98 0.00 0.00 173.24 175.53 1wuz n LYS 43 N -0.07 1.41 0.00 4.02 4.76 -1.26 -3.23 118.16 123.78 1wuz n LYS 43 Ca -0.16 -0.62 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 1wuz n LYS 43 Cb 0.63 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wuz n ASP 44 N -0.16 0.00 -0.00 4.39 9.92 -1.26 -4.90 116.55 124.54 1wuz n ASP 44 Ca 0.15 0.04 0.01 0.00 -0.53 0.00 0.00 54.79 54.45 1wuz n ASP 44 Cb 0.21 -0.18 -0.01 0.00 -0.64 0.00 0.00 41.12 40.50 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wuz n ARG 45 N -1.70 1.35 0.00 -1.24 5.12 -1.26 -5.01 116.66 113.92 1wuz n ARG 45 Ca 0.00 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1wuz n ARG 45 Cb 0.00 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wuz n GLY 46 N 2.14 2.28 2.26 -0.13 0.00 -1.20 -4.90 105.19 105.66 1wuz n GLY 46 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1wuz n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wuz n ASP 47 N 0.00 1.08 0.03 1.61 8.00 -1.26 -4.11 116.55 121.90 1wuz n ASP 47 Ca 0.00 -2.92 -0.21 0.00 0.71 0.00 0.00 54.79 52.37 1wuz n ASP 47 Cb 0.00 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 1wuz n ASP 47 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wuz h LEU 48 N 3.77 0.43 -8.17 0.64 3.38 -1.91 -3.36 115.31 110.10 1wuz h LEU 48 Ca 0.10 -0.91 -0.06 0.00 0.09 0.00 0.00 57.88 57.11 1wuz h LEU 48 Cb 0.85 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1wuz h LEU 48 CO 0.54 1.49 0.06 -0.76 0.09 0.00 0.00 178.44 179.87 1wuz s LEU 49 N -7.74 0.22 0.03 1.67 1.02 -1.26 -2.32 118.68 110.30 1wuz s LEU 49 Ca -0.16 -1.02 -0.01 0.00 0.02 0.00 0.00 54.13 52.96 1wuz s LEU 49 Cb 0.02 2.25 -0.03 0.00 0.02 0.00 0.00 46.19 48.46 1wuz s LEU 49 CO 0.80 -1.38 -0.02 -0.70 0.02 0.00 0.00 176.35 175.07 1wuz s GLU 50 N -3.33 0.46 -0.01 1.70 2.12 -1.06 -4.81 118.70 113.77 1wuz s GLU 50 Ca 0.19 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1wuz s GLU 50 Cb -0.03 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1wuz s GLU 50 CO 0.11 -0.08 0.03 0.54 -0.54 0.00 0.00 175.26 175.32 1wuz s VAL 51 N -2.56 4.38 -0.29 3.70 0.11 -1.26 -1.33 120.40 123.15 1wuz s VAL 51 Ca -0.06 -0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 58.40 1wuz s VAL 51 Cb -0.02 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.83 1wuz s VAL 51 CO -0.05 0.40 0.19 0.21 -3.33 0.00 0.00 175.10 172.52 1wuz s ASN 52 N -1.53 5.97 0.02 3.54 2.47 -0.72 -4.94 114.94 119.74 1wuz s ASN 52 Ca 0.20 -0.08 0.12 0.00 0.42 0.00 0.00 52.86 53.52 1wuz s ASN 52 Cb -0.12 -2.11 0.53 0.00 -1.45 0.00 0.00 41.25 38.11 1wuz s ASN 52 CO 0.10 -0.07 1.40 0.18 -3.72 0.00 0.00 177.10 174.99 1wuz n LEU 53 N 5.06 0.04 0.32 3.21 4.32 -1.26 0.01 117.00 128.70 1wuz n LEU 53 Ca -0.14 0.51 -0.14 0.00 -0.02 0.00 0.00 56.01 56.22 1wuz n LEU 53 Cb 0.52 -0.51 -0.07 0.00 -1.62 0.00 0.00 43.42 41.74 1wuz n LEU 53 CO 0.33 -0.32 0.52 -0.61 -1.22 0.00 0.00 177.39 176.10 1wuz h GLN 54 N 0.00 -0.84 0.00 3.23 5.75 -1.92 -3.39 115.11 117.94 1wuz h GLN 54 Ca 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1wuz h GLN 54 Cb 0.21 0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1wuz h GLN 54 CO 0.00 -0.56 -0.61 0.09 -2.65 0.00 0.00 178.83 175.10 1wuz n ASN 55 N -4.55 3.06 0.00 -0.69 3.02 -1.22 -5.01 115.26 109.87 1wuz n ASN 55 Ca -0.11 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1wuz n ASN 55 Cb 0.36 0.99 0.00 0.00 -0.61 0.00 0.00 39.78 40.52 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wuz n GLY 56 N 1.91 1.97 3.74 7.41 0.00 0.10 -4.96 105.19 115.36 1wuz n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1wuz n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wuz s ILE 57 N -2.33 3.05 -0.10 -0.61 -1.09 -1.25 -4.03 121.20 114.84 1wuz s ILE 57 Ca 0.00 0.86 -0.05 0.00 -2.23 0.00 0.00 60.65 59.23 1wuz s ILE 57 Cb 0.00 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 1wuz s ILE 57 CO 0.00 0.12 0.10 -1.48 -1.23 0.00 0.00 174.94 172.45 1wuz s LEU 58 N -0.04 4.14 0.49 2.97 2.34 -1.21 -1.76 118.68 125.60 1wuz s LEU 58 Ca 0.58 0.36 0.05 0.00 0.06 0.00 0.00 54.13 55.19 1wuz s LEU 58 Cb -0.38 -2.02 -0.00 0.00 -0.56 0.00 0.00 46.19 43.23 1wuz s LEU 58 CO 0.39 0.39 0.24 0.72 -1.06 0.00 0.00 176.35 177.03 1wuz s PHE 59 N -1.00 2.02 0.33 3.48 -0.12 -0.44 -2.36 117.98 119.89 1wuz s PHE 59 Ca 0.15 -0.77 -0.27 0.00 -0.05 0.00 0.00 56.93 55.98 1wuz s PHE 59 Cb -0.12 -1.87 -0.09 0.00 -0.63 0.00 0.00 43.02 40.31 1wuz s PHE 59 CO 0.04 -0.10 1.10 0.08 -0.05 0.00 0.00 175.22 176.29 1wuz s VAL 60 N -2.73 3.50 -0.29 -2.49 1.01 -0.11 -2.56 120.40 116.73 1wuz s VAL 60 Ca 0.30 1.37 0.20 0.00 0.00 0.00 0.00 61.98 63.85 1wuz s VAL 60 Cb 0.01 -3.82 0.48 0.00 0.00 0.00 0.00 36.38 33.04 1wuz s VAL 60 CO 0.18 0.23 1.22 -3.20 0.00 0.00 0.00 175.10 173.52 1wuz n ASN 61 N 0.70 0.69 -0.88 3.32 5.15 -0.98 -2.51 115.26 120.75 1wuz n ASN 61 Ca 0.01 -2.13 0.00 0.00 -0.60 0.00 0.00 54.58 51.86 1wuz n ASN 61 Cb 0.46 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wuz n SER 62 N -0.81 0.00 -4.63 1.20 2.88 -1.07 -4.29 113.62 106.90 1wuz n SER 62 Ca 0.01 -0.88 -0.43 0.00 -1.33 0.00 0.00 58.87 56.24 1wuz n SER 62 Cb 0.82 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.26 1wuz n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wuz s ARG 63 N -1.64 4.03 -0.01 -1.46 1.81 -1.26 -4.79 118.95 115.63 1wuz s ARG 63 Ca 0.00 1.02 0.13 0.00 -1.72 0.00 0.00 55.73 55.16 1wuz s ARG 63 Cb 0.00 -3.75 -0.17 0.00 -0.45 0.00 0.00 34.95 30.57 1wuz s ARG 63 CO 0.00 -0.94 0.37 -0.89 -0.68 0.00 0.00 175.30 173.15 1wuz n ILE 64 N 5.95 0.00 -1.70 1.52 2.08 -1.26 -4.17 119.36 121.78 1wuz n ILE 64 Ca 0.12 -0.26 -0.38 0.00 0.56 0.00 0.00 62.75 62.79 1wuz n ILE 64 Cb 0.47 0.50 0.05 0.00 -0.75 0.00 0.00 39.64 39.92 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wuz n ASP 65 N -1.70 1.98 -0.36 4.38 2.03 -1.26 -1.36 116.55 120.26 1wuz n ASP 65 Ca -0.01 0.89 0.36 0.00 0.52 0.00 0.00 54.79 56.55 1wuz n ASP 65 Cb 0.28 -1.52 0.73 0.00 -0.72 0.00 0.00 41.12 39.89 1wuz n ASP 65 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1wuz h ARG 66 N 0.91 0.04 0.02 -0.67 3.08 -1.92 0.44 114.38 116.28 1wuz h ARG 66 Ca -0.50 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.55 1wuz h ARG 66 Cb 1.33 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1wuz h ARG 66 CO 0.54 0.03 -0.24 0.93 -1.07 0.00 0.00 179.97 180.16 1wuz h GLU 67 N 0.05 -0.31 0.21 0.04 4.39 -1.89 0.49 114.58 117.56 1wuz h GLU 67 Ca 0.61 0.02 -0.34 0.00 0.34 0.00 0.00 59.36 59.99 1wuz h GLU 67 Cb 2.34 0.07 0.02 0.00 -0.10 0.00 0.00 28.75 31.08 1wuz h GLU 67 CO -0.05 -0.21 -1.61 0.93 -1.16 0.00 0.00 179.01 176.91 1wuz h GLU 68 N -0.32 0.45 -0.02 2.33 3.07 -1.67 -3.39 114.58 115.03 1wuz h GLU 68 Ca 0.00 -0.77 0.00 0.00 -0.50 0.00 0.00 59.36 58.10 1wuz h GLU 68 Cb 0.33 0.29 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1wuz h GLU 68 CO -0.15 1.37 -0.03 1.25 -1.40 0.00 0.00 179.01 180.04 1wuz h LEU 69 N 0.09 -0.11 0.00 1.33 7.12 -0.18 -3.46 115.31 120.10 1wuz h LEU 69 Ca -0.30 0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.72 1wuz h LEU 69 Cb 2.10 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.28 1wuz h LEU 69 CO 0.21 -0.02 0.00 0.00 -0.13 0.00 0.00 178.44 178.50 1wuz n GLY 71 N -1.27 1.11 2.66 0.00 0.00 0.16 -4.81 105.19 103.04 1wuz n GLY 71 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1wuz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 72 N 0.00 3.56 -3.22 1.61 1.74 -1.26 -4.74 116.66 114.35 1wuz n ARG 72 Ca 0.00 -2.99 -0.02 0.00 -0.77 0.00 0.00 57.85 54.07 1wuz n ARG 72 Cb 0.00 -2.97 -0.03 0.00 -1.02 0.00 0.00 32.46 28.44 1wuz n ARG 72 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wuz s SER 73 N 1.74 -0.73 0.54 0.55 0.01 -1.26 -5.01 113.70 109.54 1wuz s SER 73 Ca 0.50 -0.05 0.30 0.00 1.31 0.00 0.00 55.95 58.01 1wuz s SER 73 Cb 0.14 1.62 1.47 0.00 0.21 0.00 0.00 66.02 69.46 1wuz s SER 73 CO -0.05 -0.32 1.91 0.00 0.41 0.00 0.00 173.24 175.18 1wuz h ALA 74 N 8.07 2.74 -2.25 1.44 0.00 -1.85 -3.36 119.26 124.05 1wuz h ALA 74 Ca -0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.55 1wuz h ALA 74 Cb 1.16 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.67 1wuz h ALA 74 CO 0.20 -1.00 -0.60 -1.21 0.00 0.00 0.00 179.25 176.65 1wuz s GLU 75 N -4.95 0.27 -0.08 0.00 0.41 -1.26 -3.70 118.70 109.39 1wuz s GLU 75 Ca -0.05 0.14 0.01 0.00 -0.41 0.00 0.00 54.97 54.67 1wuz s GLU 75 Cb 0.21 -0.86 -0.03 0.00 -1.78 0.00 0.00 34.13 31.67 1wuz s GLU 75 CO 0.75 -0.79 -0.09 0.00 -0.49 0.00 0.00 175.26 174.63 1wuz s SER 77 N -0.56 6.47 0.00 0.00 1.04 -1.26 -2.49 113.70 116.90 1wuz s SER 77 Ca 0.08 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.15 1wuz s SER 77 Cb -0.12 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 1wuz s SER 77 CO 0.02 -0.07 -0.05 -0.63 0.98 0.00 0.00 173.24 173.49 1wuz s ILE 78 N -1.88 0.36 -0.02 -1.02 1.09 -0.30 -5.00 121.20 114.44 1wuz s ILE 78 Ca 0.42 -0.32 0.04 0.00 -1.10 0.00 0.00 60.65 59.70 1wuz s ILE 78 Cb -0.11 -0.33 -0.03 0.00 -1.06 0.00 0.00 42.46 40.93 1wuz s ILE 78 CO 0.27 0.02 -0.14 -1.00 -0.10 0.00 0.00 174.94 173.99 1wuz s HIS 79 N -0.30 2.68 0.04 3.97 3.76 -1.26 -1.64 115.29 122.54 1wuz s HIS 79 Ca -0.00 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 54.74 1wuz s HIS 79 Cb -0.03 -1.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 1wuz s HIS 79 CO -0.00 0.22 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.89 1wuz s LEU 80 N -0.97 2.30 -0.15 0.89 0.20 0.89 -4.72 118.68 117.11 1wuz s LEU 80 Ca 0.13 -0.63 0.00 0.00 0.69 0.00 0.00 54.13 54.32 1wuz s LEU 80 Cb -0.11 0.01 0.03 0.00 -0.43 0.00 0.00 46.19 45.69 1wuz s LEU 80 CO 0.02 -0.32 -0.12 -1.61 -0.29 0.00 0.00 176.35 174.03 1wuz s GLU 81 N -2.03 2.13 -0.44 1.98 2.02 -0.65 -1.53 118.70 120.18 1wuz s GLU 81 Ca -0.09 -0.58 -0.17 0.00 0.02 0.00 0.00 54.97 54.16 1wuz s GLU 81 Cb -0.06 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.10 1wuz s GLU 81 CO -0.02 -0.28 0.43 0.08 0.02 0.00 0.00 175.26 175.49 1wuz s VAL 82 N 1.50 5.11 -0.39 2.63 1.01 -0.96 -0.67 120.40 128.64 1wuz s VAL 82 Ca 0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.20 1wuz s VAL 82 Cb -0.13 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1wuz s VAL 82 CO -0.10 -0.49 0.94 -0.63 0.00 0.00 0.00 175.10 174.82 1wuz s ILE 83 N 2.04 4.54 -0.06 2.22 1.09 0.34 -1.94 121.20 129.43 1wuz s ILE 83 Ca 0.10 1.12 0.04 0.00 -1.10 0.00 0.00 60.65 60.80 1wuz s ILE 83 Cb -0.19 -4.37 0.00 0.00 -1.06 0.00 0.00 42.46 36.85 1wuz s ILE 83 CO 0.11 -0.61 -0.16 0.68 -0.10 0.00 0.00 174.94 174.86 1wuz s VAL 84 N 3.58 1.40 -0.22 2.92 -7.23 -1.05 -0.32 120.40 119.48 1wuz s VAL 84 Ca 0.38 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.77 1wuz s VAL 84 Cb -0.11 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1wuz s VAL 84 CO 0.21 0.41 0.21 -0.62 -0.31 0.00 0.00 175.10 175.00 1wuz s ASP 85 N 0.26 6.23 -0.26 4.85 -1.08 -0.61 -2.68 116.67 123.38 1wuz s ASP 85 Ca -0.09 0.25 -0.07 0.00 -0.52 0.00 0.00 52.55 52.13 1wuz s ASP 85 Cb -0.13 -2.13 0.01 0.00 -1.46 0.00 0.00 42.92 39.20 1wuz s ASP 85 CO 0.03 0.07 0.25 -1.14 0.52 0.00 0.00 175.17 174.90 1wuz n ARG 86 N 4.09 -1.91 -1.52 4.34 0.63 -1.26 -4.15 116.66 116.88 1wuz n ARG 86 Ca -0.14 1.78 -0.32 0.00 -0.92 0.00 0.00 57.85 58.25 1wuz n ARG 86 Cb 0.52 -4.19 0.07 0.00 0.45 0.00 0.00 32.46 29.31 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1wuz s PRO 87 N -1.71 2.53 -0.62 -0.14 0.04 -1.26 -4.85 135.00 129.00 1wuz s PRO 87 Ca 0.10 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.21 1wuz s PRO 87 Cb -0.03 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1wuz s PRO 87 CO 0.52 -1.44 0.90 -1.17 0.04 0.00 0.00 177.00 175.85 1wuz s LEU 88 N -5.37 4.52 -0.06 -3.56 1.98 -1.26 -4.71 118.68 110.22 1wuz s LEU 88 Ca 0.64 -0.94 -0.30 0.00 -2.89 0.00 0.00 54.13 50.65 1wuz s LEU 88 Cb -0.19 -2.47 0.10 0.00 0.66 0.00 0.00 46.19 44.29 1wuz s LEU 88 CO 0.48 -1.32 1.34 0.00 -1.89 0.00 0.00 176.35 174.96 1wuz s GLN 89 N 3.74 0.20 0.20 1.98 -2.07 -1.09 -5.06 119.66 117.55 1wuz s GLN 89 Ca 0.21 -0.13 0.11 0.00 -1.82 0.00 0.00 55.36 53.74 1wuz s GLN 89 Cb -0.17 0.05 -0.04 0.00 -1.09 0.00 0.00 33.01 31.76 1wuz s GLN 89 CO 0.11 -0.09 -0.23 0.08 -1.32 0.00 0.00 175.29 173.84 1wuz s VAL 90 N -2.02 2.42 -0.17 3.63 1.01 -1.26 -2.52 120.40 121.48 1wuz s VAL 90 Ca 0.30 -2.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.24 1wuz s VAL 90 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1wuz s VAL 90 CO -0.02 -0.13 -0.09 -0.36 0.00 0.00 0.00 175.10 174.50 1wuz s PHE 91 N -1.70 2.89 -0.59 5.22 0.08 -0.82 -4.90 117.98 118.15 1wuz s PHE 91 Ca 0.21 -0.83 -0.28 0.00 0.12 0.00 0.00 56.93 56.16 1wuz s PHE 91 Cb -0.08 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1wuz s PHE 91 CO 0.10 -0.39 1.41 -1.58 -0.10 0.00 0.00 175.22 174.66 1wuz s HIS 92 N 0.90 2.27 -0.23 0.36 2.46 0.02 -2.27 115.29 118.81 1wuz s HIS 92 Ca -0.02 0.42 -0.06 0.00 0.47 0.00 0.00 55.06 55.87 1wuz s HIS 92 Cb -0.15 -4.42 -0.02 0.00 -0.13 0.00 0.00 32.58 27.86 1wuz s HIS 92 CO 0.00 -1.98 0.02 0.08 -2.47 0.00 0.00 174.74 170.39 1wuz s VAL 93 N 6.11 4.01 -0.04 0.89 1.01 -0.58 -2.26 120.40 129.53 1wuz s VAL 93 Ca 0.50 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1wuz s VAL 93 Cb -0.10 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1wuz s VAL 93 CO 0.23 0.39 -0.10 -1.61 0.00 0.00 0.00 175.10 174.01 1wuz s GLU 94 N 1.37 2.59 -0.04 2.72 2.02 0.47 -0.08 118.70 127.75 1wuz s GLU 94 Ca 0.05 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.36 1wuz s GLU 94 Cb -0.15 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.64 1wuz s GLU 94 CO 0.02 0.63 0.09 0.14 0.02 0.00 0.00 175.26 176.16 1wuz s VAL 95 N -0.82 -0.04 0.14 2.63 -7.23 -0.65 -1.56 120.40 112.87 1wuz s VAL 95 Ca 0.13 0.16 0.06 0.00 -1.81 0.00 0.00 61.98 60.52 1wuz s VAL 95 Cb -0.11 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1wuz s VAL 95 CO 0.02 0.06 0.02 -1.61 -0.31 0.00 0.00 175.10 173.29 1wuz s GLU 96 N 0.92 2.54 0.01 4.82 2.02 -1.10 -1.15 118.70 126.76 1wuz s GLU 96 Ca -0.07 -0.97 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 1wuz s GLU 96 Cb -0.10 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 1wuz s GLU 96 CO -0.04 0.49 0.12 0.14 0.02 0.00 0.00 175.26 176.00 1wuz s VAL 97 N -1.58 4.99 -0.21 2.63 -7.23 -1.04 -2.48 120.40 115.47 1wuz s VAL 97 Ca 0.27 -0.37 -0.01 0.00 -1.81 0.00 0.00 61.98 60.07 1wuz s VAL 97 Cb -0.10 -3.33 0.02 0.00 0.56 0.00 0.00 36.38 33.53 1wuz s VAL 97 CO 0.19 0.30 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.56 1wuz s ARG 98 N -1.95 3.01 0.00 4.82 3.52 -0.93 -4.28 118.95 123.15 1wuz s ARG 98 Ca 0.26 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1wuz s ARG 98 Cb -0.12 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.46 1wuz s ARG 98 CO 0.18 -0.27 0.00 -3.47 -0.81 0.00 0.00 175.30 170.92 1wuz n ASP 99 N 4.67 0.00 -4.42 -2.12 2.03 -1.24 -2.56 116.55 112.91 1wuz n ASP 99 Ca -0.19 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.88 1wuz n ASP 99 Cb 0.49 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.78 1wuz n ASP 99 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wuz s ILE 100 N -3.00 2.25 0.09 5.18 -0.00 -1.26 -4.66 121.20 119.79 1wuz s ILE 100 Ca 0.00 -2.15 -0.09 0.00 -0.00 0.00 0.00 60.65 58.41 1wuz s ILE 100 Cb 0.00 -2.13 -0.25 0.00 -0.00 0.00 0.00 42.46 40.08 1wuz s ILE 100 CO 0.00 -0.29 1.18 -0.55 -0.00 0.00 0.00 174.94 175.28 1wuz h ASN 101 N 2.84 0.66 0.05 4.36 7.08 -1.85 -3.21 115.58 125.51 1wuz h ASN 101 Ca -0.43 -0.60 -0.01 0.00 -3.08 0.00 0.00 56.30 52.19 1wuz h ASN 101 Cb 1.23 -0.21 -0.00 0.00 -2.08 0.00 0.00 38.32 37.26 1wuz h ASN 101 CO 0.54 1.42 -0.03 0.44 -2.08 0.00 0.00 177.43 177.71 1wuz h ASP 102 N 0.21 0.00 0.00 6.14 3.32 -1.96 -3.47 116.42 120.66 1wuz h ASP 102 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1wuz h ASP 102 Cb 1.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.37 1wuz h ASP 102 CO 0.21 0.03 0.00 -3.20 -1.72 0.00 0.00 179.24 174.56