#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 5.31 0.00 1.61 0.01 -1.26 -5.01 114.94 115.60 1wuz s ASN 2 Ca 0.00 1.22 0.15 0.00 -0.71 0.00 0.00 52.86 53.52 1wuz s ASN 2 Cb 0.00 -2.03 0.25 0.00 0.41 0.00 0.00 41.25 39.88 1wuz s ASN 2 CO 0.00 -1.44 1.07 -1.20 -1.51 0.00 0.00 177.10 174.02 1wuz n SER 3 N -3.08 0.35 -4.53 -1.22 7.64 -1.26 -5.06 113.62 106.45 1wuz n SER 3 Ca 0.07 -1.94 -0.43 0.00 1.01 0.00 0.00 58.87 57.58 1wuz n SER 3 Cb 0.56 -0.13 -0.04 0.00 -1.01 0.00 0.00 64.21 63.60 1wuz n SER 3 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1wuz s GLN 4 N 0.00 3.34 0.00 1.43 -0.21 -1.26 -1.29 119.66 121.67 1wuz s GLN 4 Ca 0.19 -0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.40 1wuz s GLN 4 Cb 0.22 -4.07 -0.01 0.00 1.00 0.00 0.00 33.01 30.15 1wuz s GLN 4 CO -0.10 -1.62 -0.08 0.42 -2.12 0.00 0.00 175.29 171.79 1wuz s ILE 5 N 4.33 0.65 0.03 1.08 -1.09 -0.64 -5.03 121.20 120.52 1wuz s ILE 5 Ca 0.33 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 1wuz s ILE 5 Cb -0.11 -0.56 -0.02 0.00 -1.58 0.00 0.00 42.46 40.18 1wuz s ILE 5 CO 0.19 0.12 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.61 1wuz s HIS 6 N -0.31 0.37 0.26 3.97 -3.43 -1.26 -1.21 115.29 113.68 1wuz s HIS 6 Ca 0.02 -0.64 0.09 0.00 -0.80 0.00 0.00 55.06 53.73 1wuz s HIS 6 Cb -0.04 -0.26 -0.05 0.00 -1.43 0.00 0.00 32.58 30.80 1wuz s HIS 6 CO -0.00 -0.21 -0.14 0.71 -2.00 0.00 0.00 174.74 173.10 1wuz s TYR 7 N -1.98 2.05 -0.34 0.38 2.02 0.09 -4.91 117.35 114.65 1wuz s TYR 7 Ca -0.10 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.08 1wuz s TYR 7 Cb -0.06 -1.01 0.08 0.00 -0.40 0.00 0.00 41.96 40.57 1wuz s TYR 7 CO -0.03 0.49 0.07 -1.12 -1.57 0.00 0.00 175.55 173.40 1wuz s SER 8 N -3.45 4.96 -0.21 2.29 0.01 -0.82 -2.71 113.70 113.78 1wuz s SER 8 Ca 0.28 -1.72 -0.01 0.00 1.31 0.00 0.00 55.95 55.81 1wuz s SER 8 Cb -0.01 -1.73 0.02 0.00 0.21 0.00 0.00 66.02 64.52 1wuz s SER 8 CO 0.12 -0.38 -0.13 -0.51 0.41 0.00 0.00 173.24 172.75 1wuz s ILE 9 N 1.13 2.55 0.23 1.44 2.07 -1.02 -4.55 121.20 123.07 1wuz s ILE 9 Ca 0.02 -0.89 -0.30 0.00 -1.41 0.00 0.00 60.65 58.07 1wuz s ILE 9 Cb -0.21 -2.17 -0.09 0.00 0.13 0.00 0.00 42.46 40.12 1wuz s ILE 9 CO -0.04 0.40 1.28 -2.16 -1.91 0.00 0.00 174.94 172.52 1wuz s PRO 10 N 1.33 4.42 0.81 3.50 0.04 -1.26 -2.51 135.00 141.33 1wuz s PRO 10 Ca 0.03 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1wuz s PRO 10 Cb -0.14 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 1wuz s PRO 10 CO -0.08 -0.18 0.13 0.39 0.04 0.00 0.00 177.00 177.29 1wuz n GLU 11 N 2.09 0.05 -1.70 4.56 1.02 -1.01 -2.08 120.64 123.58 1wuz n GLU 11 Ca 0.04 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 57.06 1wuz n GLU 11 Cb 0.43 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 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 0.00 -1.22 -1.55 3.49 2.13 -1.10 -4.86 120.64 117.53 1wuz n GLU 12 Ca 0.06 1.03 -0.41 0.00 0.66 0.00 0.00 57.16 58.50 1wuz n GLU 12 Cb 0.52 -5.30 -0.04 0.00 0.27 0.00 0.00 31.44 26.89 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 0.53 1.20 -0.34 4.31 0.00 -0.88 -4.82 120.51 120.51 1wuz n ALA 13 Ca -0.18 -0.52 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 1wuz n ALA 13 Cb 0.58 -2.97 0.27 0.00 0.00 0.00 0.00 19.45 17.33 1wuz n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1wuz n LYS 14 N 8.79 -3.93 -2.06 0.00 4.01 -1.26 -4.62 118.16 119.09 1wuz n LYS 14 Ca 0.36 -1.16 -0.43 0.00 -0.51 0.00 0.00 58.31 56.58 1wuz n LYS 14 Cb 0.44 -1.91 -0.03 0.00 -0.51 0.00 0.00 35.03 33.02 1wuz n LYS 14 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1wuz s HIS 15 N -2.18 2.03 0.00 2.13 3.76 -1.26 -2.12 115.29 117.66 1wuz s HIS 15 Ca 0.63 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 1wuz s HIS 15 Cb -0.15 -3.94 0.00 0.00 1.11 0.00 0.00 32.58 29.60 1wuz s HIS 15 CO 0.56 -3.29 0.00 0.41 -0.85 0.00 0.00 174.74 171.58 1wuz n GLY 16 N 4.49 0.92 3.76 -2.22 0.00 -0.94 -4.97 105.19 106.24 1wuz n GLY 16 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 2.35 -0.04 2.61 2.01 -0.90 -4.62 115.64 115.04 1wuz s THR 17 Ca 0.00 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1wuz s THR 17 Cb 0.00 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1wuz s THR 17 CO 0.00 0.03 1.12 0.12 -0.69 0.00 0.00 174.62 175.19 1wuz s PHE 18 N -1.28 3.38 -0.07 4.92 5.36 -1.26 -2.41 117.98 126.61 1wuz s PHE 18 Ca 0.63 1.40 -0.09 0.00 -0.96 0.00 0.00 56.93 57.91 1wuz s PHE 18 Cb -0.39 -3.32 -0.04 0.00 -0.34 0.00 0.00 43.02 38.93 1wuz s PHE 18 CO 0.49 -0.84 -0.18 0.28 -1.46 0.00 0.00 175.22 173.52 1wuz n VAL 19 N 4.38 1.19 0.00 3.12 0.31 -0.99 -4.68 118.33 121.66 1wuz n VAL 19 Ca 0.09 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1wuz n VAL 19 Cb 0.48 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 2.35 1.84 3.50 2.92 0.00 -1.26 -1.94 105.19 112.59 1wuz n GLY 20 Ca -0.14 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1wuz n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 21 N 0.00 0.54 -0.15 1.61 1.74 -1.26 -4.02 116.66 115.11 1wuz n ARG 21 Ca 0.00 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.03 1wuz n ARG 21 Cb 0.00 -2.34 -0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1wuz h ILE 22 N 7.71 1.25 -0.07 0.55 2.10 -1.90 -1.88 117.51 125.27 1wuz h ILE 22 Ca -0.15 -0.92 -0.03 0.00 1.08 0.00 0.00 64.86 64.84 1wuz h ILE 22 Cb 1.30 0.98 -0.00 0.00 -1.09 0.00 0.00 36.82 38.01 1wuz h ILE 22 CO 1.24 0.32 -0.08 0.00 -1.08 0.00 0.00 178.15 178.55 1wuz h ALA 23 N 0.94 0.11 -1.00 0.18 0.00 -1.87 -1.43 119.26 116.19 1wuz h ALA 23 Ca 0.13 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 54.87 1wuz h ALA 23 Cb 0.40 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1wuz h ALA 23 CO 0.01 -0.07 0.63 0.37 0.00 0.00 0.00 179.25 180.19 1wuz h GLN 24 N -0.26 0.97 -0.00 0.00 -0.00 -1.79 0.24 115.11 114.26 1wuz h GLN 24 Ca 0.01 -0.06 -0.17 0.00 -0.00 0.00 0.00 58.65 58.44 1wuz h GLN 24 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 27.48 27.85 1wuz h GLN 24 CO 0.02 0.64 -0.78 -0.44 0.00 0.00 0.00 178.83 178.27 1wuz h ASP 25 N 0.99 0.05 -0.15 -0.69 3.32 -1.32 -3.23 116.42 115.40 1wuz h ASP 25 Ca 0.50 -0.04 -0.20 0.00 0.02 0.00 0.00 57.03 57.30 1wuz h ASP 25 Cb 0.49 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1wuz h ASP 25 CO -0.27 0.81 -0.68 -0.07 -1.72 0.00 0.00 179.24 177.32 1wuz h LEU 26 N 0.03 0.90 -0.35 1.55 4.07 0.08 -3.48 115.31 118.10 1wuz h LEU 26 Ca -0.01 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1wuz h LEU 26 Cb 1.37 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1wuz h LEU 26 CO 0.11 1.33 0.00 0.61 -1.08 0.00 0.00 178.44 179.41 1wuz n GLY 27 N 0.54 0.87 3.12 0.83 0.00 0.66 -5.08 105.19 106.12 1wuz n GLY 27 Ca -0.06 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1wuz n GLY 27 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wuz s LEU 28 N -0.35 2.32 0.63 0.99 0.05 -1.20 -5.08 118.68 116.04 1wuz s LEU 28 Ca 0.00 -0.67 -0.17 0.00 0.05 0.00 0.00 54.13 53.34 1wuz s LEU 28 Cb 0.00 -0.27 -0.01 0.00 -2.05 0.00 0.00 46.19 43.86 1wuz s LEU 28 CO 0.00 -0.21 1.16 -0.70 -0.55 0.00 0.00 176.35 176.04 1wuz s GLU 29 N -2.12 2.83 0.49 1.48 2.12 -1.26 -4.67 118.70 117.57 1wuz s GLU 29 Ca -0.02 1.61 0.27 0.00 0.36 0.00 0.00 54.97 57.19 1wuz s GLU 29 Cb -0.07 -1.93 1.15 0.00 0.26 0.00 0.00 34.13 33.54 1wuz s GLU 29 CO 0.00 -1.27 1.92 -0.07 -0.54 0.00 0.00 175.26 175.30 1wuz h LEU 30 N 0.42 0.00 -1.66 2.70 -0.00 -1.93 -2.25 115.31 112.58 1wuz h LEU 30 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1wuz h LEU 30 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1wuz h LEU 30 CO 0.54 0.15 0.00 0.35 -0.00 0.00 0.00 178.44 179.48 1wuz n THR 31 N -3.36 0.22 0.01 0.22 -2.24 -1.26 -3.95 114.28 103.92 1wuz n THR 31 Ca -0.00 -0.49 0.10 0.00 -2.27 0.00 0.00 64.05 61.38 1wuz n THR 31 Cb 0.36 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.31 1wuz n THR 31 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wuz n GLU 32 N 0.91 0.65 -0.14 -0.78 4.07 -0.85 -4.32 120.64 120.18 1wuz n GLU 32 Ca 0.17 -0.11 -0.10 0.00 -0.06 0.00 0.00 57.16 57.06 1wuz n GLU 32 Cb 0.48 -1.60 -0.01 0.00 -0.06 0.00 0.00 31.44 30.25 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wuz h LEU 33 N 0.00 0.72 0.13 4.31 3.38 -1.68 -1.17 115.31 121.00 1wuz h LEU 33 Ca -0.03 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1wuz h LEU 33 Cb 1.07 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1wuz h LEU 33 CO 0.00 0.86 -0.45 0.58 0.09 0.00 0.00 178.44 179.52 1wuz h VAL 34 N 0.55 0.10 0.00 1.22 2.07 -1.79 -1.19 116.25 117.22 1wuz h VAL 34 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1wuz h VAL 34 Cb 0.50 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 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 -0.69 0.00 -0.32 1.57 0.13 -1.77 -2.39 132.00 128.53 1wuz h PRO 35 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 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 -0.26 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.05 1wuz n ARG 36 N -2.51 1.81 -3.88 0.86 1.74 -0.44 -4.89 116.66 109.35 1wuz n ARG 36 Ca 0.02 -1.25 -0.31 0.00 -0.77 0.00 0.00 57.85 55.53 1wuz n ARG 36 Cb 0.25 -1.31 0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1wuz n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wuz n LEU 37 N 0.51 -2.09 -4.73 0.55 7.99 -0.90 -1.56 117.00 116.76 1wuz n LEU 37 Ca 0.13 -1.07 -0.42 0.00 -0.01 0.00 0.00 56.01 54.64 1wuz n LEU 37 Cb 0.31 -2.16 -0.02 0.00 -0.11 0.00 0.00 43.42 41.43 1wuz n LEU 37 CO 0.09 0.51 1.17 0.12 -1.51 0.00 0.00 177.39 177.77 1wuz s PHE 38 N -3.72 3.01 -0.12 -1.77 5.36 -0.97 -2.60 117.98 117.17 1wuz s PHE 38 Ca 0.27 0.85 -0.11 0.00 -0.96 0.00 0.00 56.93 56.97 1wuz s PHE 38 Cb -0.11 -3.89 0.03 0.00 -0.34 0.00 0.00 43.02 38.72 1wuz s PHE 38 CO 0.90 -3.05 0.33 1.03 -1.46 0.00 0.00 175.22 172.97 1wuz s ARG 39 N 0.20 0.38 -0.09 10.12 0.52 -0.04 -5.00 118.95 125.04 1wuz s ARG 39 Ca 0.64 0.46 -0.04 0.00 -0.52 0.00 0.00 55.73 56.27 1wuz s ARG 39 Cb -0.43 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 1wuz s ARG 39 CO 0.39 -0.05 0.08 0.08 0.02 0.00 0.00 175.30 175.82 1wuz s VAL 40 N 0.20 4.94 -0.22 3.52 1.01 -1.26 -0.40 120.40 128.18 1wuz s VAL 40 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1wuz s VAL 40 Cb -0.02 -3.14 0.09 0.00 0.00 0.00 0.00 36.38 33.31 1wuz s VAL 40 CO 0.00 0.58 0.19 0.00 0.00 0.00 0.00 175.10 175.87 1wuz s ALA 41 N -1.00 -0.02 0.35 5.51 0.00 -0.68 -4.86 121.76 121.06 1wuz s ALA 41 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 1wuz s ALA 41 Cb -0.12 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1wuz s ALA 41 CO 0.05 -1.36 0.61 0.45 0.00 0.00 0.00 175.76 175.52 1wuz s SER 42 N 2.26 6.36 -0.19 0.00 0.15 -1.26 -2.15 113.70 118.87 1wuz s SER 42 Ca 0.07 0.70 0.09 0.00 0.70 0.00 0.00 55.95 57.51 1wuz s SER 42 Cb -0.16 -2.14 -0.22 0.00 -1.71 0.00 0.00 66.02 61.79 1wuz s SER 42 CO -0.19 -0.32 0.07 1.17 1.20 0.00 0.00 173.24 175.17 1wuz n LYS 43 N -1.50 0.68 0.00 5.44 0.00 -1.26 -3.73 118.16 117.79 1wuz n LYS 43 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1wuz n LYS 43 Cb 0.55 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wuz n ASP 44 N -3.04 0.00 -0.00 3.14 8.00 -1.26 -4.60 116.55 118.79 1wuz n ASP 44 Ca -0.35 0.71 0.01 0.00 0.71 0.00 0.00 54.79 55.87 1wuz n ASP 44 Cb 1.08 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.95 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wuz n ARG 45 N -1.16 1.40 0.00 -1.24 1.74 -1.26 -5.01 116.66 111.14 1wuz n ARG 45 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1wuz n ARG 45 Cb 0.00 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wuz n GLY 46 N 2.09 2.25 2.27 -0.13 0.00 -1.24 -4.90 105.19 105.53 1wuz n GLY 46 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1wuz n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wuz n ASP 47 N 0.00 1.15 -0.10 1.61 2.03 -1.26 -4.05 116.55 115.93 1wuz n ASP 47 Ca 0.00 -2.95 -0.23 0.00 0.52 0.00 0.00 54.79 52.14 1wuz n ASP 47 Cb 0.00 -0.63 -0.12 0.00 -0.72 0.00 0.00 41.12 39.65 1wuz n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wuz n LEU 48 N 0.93 2.45 -4.05 -2.67 4.77 -1.26 -4.64 117.00 112.53 1wuz n LEU 48 Ca 0.24 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1wuz n LEU 48 Cb 0.54 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1wuz n LEU 48 CO 0.23 0.72 0.16 -0.76 -1.33 0.00 0.00 177.39 176.41 1wuz s LEU 49 N -7.12 0.73 -0.05 2.23 1.02 -1.26 -2.38 118.68 111.85 1wuz s LEU 49 Ca -0.32 -1.28 -0.16 0.00 0.02 0.00 0.00 54.13 52.39 1wuz s LEU 49 Cb 0.10 1.60 0.03 0.00 0.02 0.00 0.00 46.19 47.93 1wuz s LEU 49 CO 0.61 -1.25 0.36 -1.61 0.02 0.00 0.00 176.35 174.48 1wuz s GLU 50 N -3.37 0.66 -0.01 1.70 0.41 -1.08 -4.90 118.70 112.10 1wuz s GLU 50 Ca 0.27 0.01 -0.08 0.00 -0.41 0.00 0.00 54.97 54.76 1wuz s GLU 50 Cb -0.00 0.30 -0.05 0.00 -1.78 0.00 0.00 34.13 32.60 1wuz s GLU 50 CO 0.15 -0.17 0.28 0.54 -0.49 0.00 0.00 175.26 175.57 1wuz s VAL 51 N -0.98 5.28 -0.28 2.63 0.11 -1.26 -2.35 120.40 123.56 1wuz s VAL 51 Ca -0.10 0.31 -0.10 0.00 -2.93 0.00 0.00 61.98 59.15 1wuz s VAL 51 Cb -0.04 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1wuz s VAL 51 CO 0.04 0.45 0.17 0.21 -3.33 0.00 0.00 175.10 172.63 1wuz s ASN 52 N -1.47 5.80 0.00 3.54 2.47 -0.93 -4.94 114.94 119.41 1wuz s ASN 52 Ca 0.25 -0.11 0.18 0.00 0.42 0.00 0.00 52.86 53.60 1wuz s ASN 52 Cb -0.14 -2.07 0.87 0.00 -1.45 0.00 0.00 41.25 38.47 1wuz s ASN 52 CO 0.13 -0.07 1.55 0.18 -3.72 0.00 0.00 177.10 175.18 1wuz n LEU 53 N 5.03 0.00 0.11 3.21 4.77 -1.26 -0.09 117.00 128.77 1wuz n LEU 53 Ca -0.14 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 1wuz n LEU 53 Cb 0.52 -0.34 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1wuz n LEU 53 CO 0.33 -0.14 0.67 -0.61 -1.33 0.00 0.00 177.39 176.31 1wuz h GLN 54 N 0.00 -0.24 0.00 3.23 4.15 -1.92 -3.40 115.11 116.92 1wuz h GLN 54 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1wuz h GLN 54 Cb 0.21 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1wuz h GLN 54 CO 0.00 0.02 -0.92 0.09 -1.93 0.00 0.00 178.83 176.10 1wuz n ASN 55 N -5.09 4.59 0.00 -0.69 4.13 -1.21 -5.04 115.26 111.95 1wuz n ASN 55 Ca -0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.17 1wuz n ASN 55 Cb 0.21 0.48 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wuz n GLY 56 N 2.77 1.18 3.89 7.41 0.00 0.88 -4.94 105.19 116.38 1wuz n GLY 56 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wuz n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wuz s ILE 57 N -2.00 5.07 -0.31 -0.61 1.10 -1.24 -3.64 121.20 119.57 1wuz s ILE 57 Ca 0.00 0.15 -0.16 0.00 -0.51 0.00 0.00 60.65 60.13 1wuz s ILE 57 Cb 0.00 -3.65 -0.02 0.00 0.15 0.00 0.00 42.46 38.94 1wuz s ILE 57 CO 0.00 -0.08 0.42 -0.22 -2.11 0.00 0.00 174.94 172.95 1wuz s LEU 58 N -2.92 4.23 -0.10 8.50 1.98 -1.26 -2.18 118.68 126.93 1wuz s LEU 58 Ca 0.43 0.08 -0.02 0.00 -2.89 0.00 0.00 54.13 51.74 1wuz s LEU 58 Cb -0.11 -2.46 -0.03 0.00 0.66 0.00 0.00 46.19 44.24 1wuz s LEU 58 CO 0.25 -0.31 -0.01 0.72 -1.89 0.00 0.00 176.35 175.10 1wuz s PHE 59 N 2.16 3.11 0.36 5.38 -0.71 -0.99 -2.34 117.98 124.94 1wuz s PHE 59 Ca 0.16 0.07 -0.26 0.00 -1.04 0.00 0.00 56.93 55.85 1wuz s PHE 59 Cb -0.16 -1.83 -0.09 0.00 -1.21 0.00 0.00 43.02 39.74 1wuz s PHE 59 CO 0.11 0.34 1.09 0.08 -1.34 0.00 0.00 175.22 175.50 1wuz s VAL 60 N -0.57 3.51 -0.34 -2.49 1.01 -1.01 -2.63 120.40 117.89 1wuz s VAL 60 Ca 0.09 1.30 0.15 0.00 0.00 0.00 0.00 61.98 63.53 1wuz s VAL 60 Cb -0.12 -3.74 0.44 0.00 0.00 0.00 0.00 36.38 32.96 1wuz s VAL 60 CO 0.02 0.15 1.18 -3.20 0.00 0.00 0.00 175.10 173.24 1wuz n ASN 61 N 0.39 0.03 -1.37 3.32 5.15 -1.00 -2.22 115.26 119.56 1wuz n ASN 61 Ca 0.03 -2.47 -0.01 0.00 -0.60 0.00 0.00 54.58 51.53 1wuz n ASN 61 Cb 0.47 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 -0.49 -0.39 -4.62 1.20 2.88 -1.08 -4.61 113.62 106.50 1wuz n SER 62 Ca 0.02 -1.25 -0.43 0.00 -1.33 0.00 0.00 58.87 55.88 1wuz n SER 62 Cb 0.83 0.65 -0.02 0.00 -0.75 0.00 0.00 64.21 64.92 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 -2.01 3.91 -0.01 -1.46 1.81 -1.26 -4.85 118.95 115.07 1wuz s ARG 63 Ca 0.04 0.80 0.12 0.00 -1.72 0.00 0.00 55.73 54.97 1wuz s ARG 63 Cb -0.01 -3.80 -0.18 0.00 -0.45 0.00 0.00 34.95 30.51 1wuz s ARG 63 CO 0.02 -1.05 0.34 -0.89 -0.68 0.00 0.00 175.30 173.03 1wuz n ILE 64 N 6.18 0.00 -1.72 1.52 2.08 -1.26 -4.15 119.36 122.01 1wuz n ILE 64 Ca 0.11 -0.27 -0.39 0.00 0.56 0.00 0.00 62.75 62.76 1wuz n ILE 64 Cb 0.48 0.41 0.04 0.00 -0.75 0.00 0.00 39.64 39.82 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1wuz n ASP 65 N -1.78 2.44 -0.28 4.38 5.68 -1.26 -2.69 116.55 123.04 1wuz n ASP 65 Ca -0.01 0.97 0.34 0.00 -0.50 0.00 0.00 54.79 55.59 1wuz n ASP 65 Cb 0.29 -1.55 0.73 0.00 -1.14 0.00 0.00 41.12 39.46 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1wuz h ARG 66 N 1.39 0.00 0.04 0.11 0.11 -1.94 0.49 114.38 114.58 1wuz h ARG 66 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1wuz h ARG 66 Cb 1.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 1wuz h ARG 66 CO 0.57 0.00 -0.13 1.49 0.10 0.00 0.00 179.97 182.00 1wuz h GLU 67 N 0.00 -0.18 0.20 0.08 4.22 -1.89 0.42 114.58 117.42 1wuz h GLU 67 Ca 0.53 0.01 -0.33 0.00 0.08 0.00 0.00 59.36 59.65 1wuz h GLU 67 Cb 2.22 0.04 0.02 0.00 0.50 0.00 0.00 28.75 31.53 1wuz h GLU 67 CO -0.01 -0.12 -1.57 0.93 -2.18 0.00 0.00 179.01 176.06 1wuz h GLU 68 N -0.19 0.42 0.00 1.92 3.07 -1.72 -3.39 114.58 114.68 1wuz h GLU 68 Ca -0.00 -0.71 0.00 0.00 -0.50 0.00 0.00 59.36 58.15 1wuz h GLU 68 Cb 0.19 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1wuz h GLU 68 CO -0.06 1.32 0.00 -0.11 -1.40 0.00 0.00 179.01 178.76 1wuz n LEU 69 N -3.61 0.00 0.11 1.33 -0.00 0.16 -4.87 117.00 110.13 1wuz n LEU 69 Ca -0.19 0.98 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 1wuz n LEU 69 Cb 1.08 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1wuz n LEU 69 CO 0.55 -0.48 0.00 0.00 -0.00 0.00 0.00 177.39 177.46 1wuz n GLY 71 N -1.20 1.49 0.00 0.00 0.00 0.14 -4.57 105.19 101.06 1wuz n GLY 71 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -2.47 1.61 1.74 -1.26 -4.42 116.66 111.85 1wuz n ARG 72 Ca 0.00 0.52 -0.43 0.00 -0.77 0.00 0.00 57.85 57.17 1wuz n ARG 72 Cb 0.00 -1.32 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 1wuz n ARG 72 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wuz s SER 73 N -2.40 6.99 0.15 0.55 0.15 -1.26 -4.93 113.70 112.95 1wuz s SER 73 Ca 0.00 1.66 -0.18 0.00 0.70 0.00 0.00 55.95 58.13 1wuz s SER 73 Cb 0.00 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1wuz s SER 73 CO 0.00 -0.71 1.70 0.00 1.20 0.00 0.00 173.24 175.43 1wuz h ALA 74 N 7.94 0.24 -2.55 5.45 0.00 -1.93 -3.36 119.26 125.05 1wuz h ALA 74 Ca -0.27 0.11 -0.73 0.00 0.00 0.00 0.00 54.91 54.02 1wuz h ALA 74 Cb 1.11 0.19 -0.26 0.00 0.00 0.00 0.00 17.79 18.84 1wuz h ALA 74 CO 0.95 -0.44 -0.39 -1.21 0.00 0.00 0.00 179.25 178.16 1wuz s GLU 75 N -6.20 2.77 -0.06 0.00 2.02 -1.26 -4.72 118.70 111.24 1wuz s GLU 75 Ca -0.13 -1.45 0.02 0.00 0.02 0.00 0.00 54.97 53.42 1wuz s GLU 75 Cb 0.12 -3.96 -0.03 0.00 0.10 0.00 0.00 34.13 30.37 1wuz s GLU 75 CO 0.70 -1.02 -0.10 0.00 0.02 0.00 0.00 175.26 174.86 1wuz s SER 77 N -0.73 5.24 -0.00 0.00 1.04 -1.26 -2.57 113.70 115.42 1wuz s SER 77 Ca 0.11 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.42 1wuz s SER 77 Cb -0.11 -1.30 -0.01 0.00 0.10 0.00 0.00 66.02 64.69 1wuz s SER 77 CO 0.01 0.13 -0.14 -0.63 0.98 0.00 0.00 173.24 173.58 1wuz s ILE 78 N -1.54 1.13 -0.02 -1.02 1.09 -0.62 -5.01 121.20 115.22 1wuz s ILE 78 Ca 0.28 -0.68 0.05 0.00 -1.10 0.00 0.00 60.65 59.20 1wuz s ILE 78 Cb -0.11 -0.96 -0.03 0.00 -1.06 0.00 0.00 42.46 40.31 1wuz s ILE 78 CO 0.21 0.27 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.17 1wuz s HIS 79 N -0.42 2.66 0.05 3.97 3.76 -1.26 -1.97 115.29 122.09 1wuz s HIS 79 Ca 0.05 -0.19 -0.07 0.00 -0.15 0.00 0.00 55.06 54.71 1wuz s HIS 79 Cb -0.06 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 32.05 1wuz s HIS 79 CO -0.00 0.21 0.13 -1.17 -0.85 0.00 0.00 174.74 173.06 1wuz s LEU 80 N -0.97 1.66 -0.17 0.89 0.20 0.89 -4.36 118.68 116.82 1wuz s LEU 80 Ca 0.13 -0.55 -0.01 0.00 0.69 0.00 0.00 54.13 54.39 1wuz s LEU 80 Cb -0.11 0.76 0.05 0.00 -0.43 0.00 0.00 46.19 46.46 1wuz s LEU 80 CO 0.02 -0.58 -0.02 -1.61 -0.29 0.00 0.00 176.35 173.87 1wuz s GLU 81 N -2.96 1.17 -0.48 1.98 2.02 -0.91 -2.00 118.70 117.52 1wuz s GLU 81 Ca -0.02 -0.50 -0.21 0.00 0.02 0.00 0.00 54.97 54.26 1wuz s GLU 81 Cb 0.01 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.25 1wuz s GLU 81 CO -0.06 -0.50 0.70 0.08 0.02 0.00 0.00 175.26 175.50 1wuz s VAL 82 N 1.69 4.75 0.01 2.63 1.01 -0.97 -1.69 120.40 127.83 1wuz s VAL 82 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 1wuz s VAL 82 Cb -0.16 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1wuz s VAL 82 CO -0.07 -0.76 0.82 -0.51 0.00 0.00 0.00 175.10 174.58 1wuz s ILE 83 N 3.00 4.83 -0.02 2.22 -1.16 0.46 -1.23 121.20 129.30 1wuz s ILE 83 Ca 0.22 1.73 0.04 0.00 -0.51 0.00 0.00 60.65 62.14 1wuz s ILE 83 Cb -0.15 -4.17 -0.01 0.00 0.61 0.00 0.00 42.46 38.74 1wuz s ILE 83 CO 0.17 0.27 -0.14 0.68 -2.81 0.00 0.00 174.94 173.11 1wuz s VAL 84 N 0.47 1.15 -0.30 4.00 -7.23 -0.45 -0.86 120.40 117.18 1wuz s VAL 84 Ca 0.43 -0.61 -0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1wuz s VAL 84 Cb -0.20 -0.97 0.01 0.00 0.56 0.00 0.00 36.38 35.77 1wuz s VAL 84 CO 0.24 0.33 0.09 -0.62 -0.31 0.00 0.00 175.10 174.82 1wuz s ASP 85 N -0.21 5.17 -0.24 4.85 2.15 -0.60 -2.37 116.67 125.42 1wuz s ASP 85 Ca 0.03 -0.67 -0.06 0.00 0.43 0.00 0.00 52.55 52.28 1wuz s ASP 85 Cb -0.07 -1.89 0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1wuz s ASP 85 CO 0.00 -0.19 0.21 0.54 -0.17 0.00 0.00 175.17 175.57 1wuz n ARG 86 N 4.88 -1.89 -1.44 4.34 5.12 -1.26 -3.35 116.66 123.06 1wuz n ARG 86 Ca -0.14 1.76 -0.32 0.00 -1.93 0.00 0.00 57.85 57.22 1wuz n ARG 86 Cb 0.48 -4.06 0.08 0.00 -1.16 0.00 0.00 32.46 27.79 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wuz s PRO 87 N -1.60 2.45 -0.42 5.56 0.04 -1.26 -4.25 135.00 135.51 1wuz s PRO 87 Ca 0.09 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.18 1wuz s PRO 87 Cb -0.02 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1wuz s PRO 87 CO 0.51 -1.50 0.59 -0.51 0.04 0.00 0.00 177.00 176.12 1wuz s LEU 88 N -5.55 4.55 0.00 -3.56 1.02 -1.26 -4.65 118.68 109.24 1wuz s LEU 88 Ca 0.63 -0.35 -0.15 0.00 0.02 0.00 0.00 54.13 54.28 1wuz s LEU 88 Cb -0.18 -2.64 0.05 0.00 0.02 0.00 0.00 46.19 43.43 1wuz s LEU 88 CO 0.51 -0.70 0.66 0.00 0.02 0.00 0.00 176.35 176.84 1wuz n GLN 89 N 6.06 0.02 -4.26 1.70 1.13 -1.00 -5.04 117.38 115.99 1wuz n GLN 89 Ca -0.03 -0.27 -0.17 0.00 -1.94 0.00 0.00 57.00 54.58 1wuz n GLN 89 Cb 0.48 0.51 -0.11 0.00 0.11 0.00 0.00 30.24 31.24 1wuz n GLN 89 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1wuz s VAL 90 N -2.02 1.39 -0.15 5.09 1.01 -1.26 -1.34 120.40 123.12 1wuz s VAL 90 Ca 0.16 -1.88 0.01 0.00 0.00 0.00 0.00 61.98 60.27 1wuz s VAL 90 Cb -0.00 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1wuz s VAL 90 CO -0.01 -0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 174.04 1wuz s PHE 91 N -2.51 2.73 -0.08 5.22 0.08 -0.36 -4.93 117.98 118.14 1wuz s PHE 91 Ca 0.13 -1.22 -0.30 0.00 0.12 0.00 0.00 56.93 55.66 1wuz s PHE 91 Cb -0.03 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1wuz s PHE 91 CO 0.03 -0.56 1.54 -1.58 -0.10 0.00 0.00 175.22 174.55 1wuz s HIS 92 N 0.86 2.25 -0.11 0.36 2.46 -0.41 -2.29 115.29 118.41 1wuz s HIS 92 Ca -0.05 0.44 0.01 0.00 0.47 0.00 0.00 55.06 55.93 1wuz s HIS 92 Cb -0.15 -3.80 0.02 0.00 -0.13 0.00 0.00 32.58 28.52 1wuz s HIS 92 CO -0.02 -3.22 -0.14 0.08 -2.47 0.00 0.00 174.74 168.98 1wuz s VAL 93 N 3.79 1.42 -0.16 0.89 1.01 -0.85 -1.62 120.40 124.89 1wuz s VAL 93 Ca 0.68 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1wuz s VAL 93 Cb -0.30 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.80 1wuz s VAL 93 CO 0.25 0.43 -0.05 -0.70 0.00 0.00 0.00 175.10 175.03 1wuz s GLU 94 N 1.17 1.39 -0.17 2.72 2.12 -0.35 -0.07 118.70 125.50 1wuz s GLU 94 Ca -0.03 -0.46 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 1wuz s GLU 94 Cb -0.14 -1.93 -0.01 0.00 0.26 0.00 0.00 34.13 32.31 1wuz s GLU 94 CO -0.04 -0.42 -0.08 0.14 -0.54 0.00 0.00 175.26 174.32 1wuz s VAL 95 N 1.66 3.30 0.16 3.70 -7.23 -0.83 -0.73 120.40 120.43 1wuz s VAL 95 Ca 0.01 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1wuz s VAL 95 Cb -0.15 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1wuz s VAL 95 CO -0.08 0.48 0.18 -0.70 -0.31 0.00 0.00 175.10 174.67 1wuz s GLU 96 N 0.86 3.07 -0.27 4.82 2.12 -1.10 -1.59 118.70 126.61 1wuz s GLU 96 Ca -0.02 -0.78 -0.13 0.00 0.36 0.00 0.00 54.97 54.40 1wuz s GLU 96 Cb -0.15 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1wuz s GLU 96 CO 0.01 0.50 0.26 0.14 -0.54 0.00 0.00 175.26 175.63 1wuz s VAL 97 N -1.74 5.26 -0.41 3.70 -7.23 -1.06 -2.43 120.40 116.48 1wuz s VAL 97 Ca 0.32 0.34 -0.20 0.00 -1.81 0.00 0.00 61.98 60.63 1wuz s VAL 97 Cb -0.10 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.25 1wuz s VAL 97 CO 0.25 0.22 0.60 -0.60 -0.31 0.00 0.00 175.10 175.25 1wuz s ARG 98 N 1.84 3.38 0.00 4.82 3.52 -1.05 -4.53 118.95 126.93 1wuz s ARG 98 Ca 0.10 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1wuz s ARG 98 Cb -0.16 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 1wuz s ARG 98 CO 0.10 -0.89 0.00 -3.47 -0.81 0.00 0.00 175.30 170.23 1wuz n ASP 99 N 6.06 0.00 -4.30 -2.12 2.03 -1.26 -2.40 116.55 114.56 1wuz n ASP 99 Ca -0.03 -0.98 -0.19 0.00 0.52 0.00 0.00 54.79 54.11 1wuz n ASP 99 Cb 0.48 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.77 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wuz s ILE 100 N -2.01 1.60 0.05 5.18 1.01 -1.26 -4.82 121.20 120.95 1wuz s ILE 100 Ca 0.00 -1.90 -0.31 0.00 0.00 0.00 0.00 60.65 58.44 1wuz s ILE 100 Cb 0.00 -1.76 -0.18 0.00 0.01 0.00 0.00 42.46 40.53 1wuz s ILE 100 CO 0.00 -0.42 1.50 -1.13 0.00 0.00 0.00 174.94 174.89 1wuz h ASN 101 N 3.21 -0.68 -0.34 3.58 -1.24 -1.92 -2.56 115.58 115.62 1wuz h ASN 101 Ca -0.40 -0.01 0.10 0.00 0.71 0.00 0.00 56.30 56.70 1wuz h ASN 101 Cb 1.20 0.18 -0.01 0.00 0.73 0.00 0.00 38.32 40.42 1wuz h ASN 101 CO 0.53 -0.42 0.29 -0.78 -1.29 0.00 0.00 177.43 175.76 1wuz h ASP 102 N -0.90 0.00 0.00 1.15 3.58 -1.97 -3.50 116.42 114.78 1wuz h ASP 102 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1wuz h ASP 102 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 1wuz h ASP 102 CO 0.14 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.30