#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr1 s GLN 2 N 0.00 1.00 0.21 2.12 -2.07 -1.25 -2.94 119.66 116.72 1wr1 s GLN 2 Ca 0.00 -1.49 -0.07 0.00 -1.82 0.00 0.00 55.36 51.98 1wr1 s GLN 2 Cb 0.00 0.23 -0.02 0.00 -1.09 0.00 0.00 33.01 32.13 1wr1 s GLN 2 CO 0.00 -0.29 0.29 0.96 -1.32 0.00 0.00 175.29 174.93 1wr1 s ILE 3 N -4.07 0.02 0.09 3.63 -5.25 -0.13 -0.18 121.20 115.31 1wr1 s ILE 3 Ca 0.28 -1.66 0.07 0.00 -0.99 0.00 0.00 60.65 58.34 1wr1 s ILE 3 Cb 0.07 -2.25 -0.03 0.00 2.95 0.00 0.00 42.46 43.20 1wr1 s ILE 3 CO 0.04 -0.07 -0.18 -0.36 -1.79 0.00 0.00 174.94 172.58 1wr1 s PHE 4 N -4.07 1.56 -0.03 1.37 0.40 0.38 -0.55 117.98 117.05 1wr1 s PHE 4 Ca 0.28 -0.44 -0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1wr1 s PHE 4 Cb 0.03 -0.86 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1wr1 s PHE 4 CO 0.08 0.15 0.02 0.08 0.70 0.00 0.00 175.22 176.25 1wr1 s VAL 5 N -1.22 0.07 -0.18 -0.44 1.01 -0.23 -0.98 120.40 118.44 1wr1 s VAL 5 Ca 0.03 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1wr1 s VAL 5 Cb -0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.07 1wr1 s VAL 5 CO 0.03 0.14 -0.12 -0.75 0.00 0.00 0.00 175.10 174.40 1wr1 s LYS 6 N 1.24 3.27 0.92 2.72 2.36 0.18 -0.20 119.74 130.22 1wr1 s LYS 6 Ca -0.07 -0.71 -0.12 0.00 -2.55 0.00 0.00 55.97 52.53 1wr1 s LYS 6 Cb -0.13 -2.74 0.14 0.00 -1.05 0.00 0.00 37.83 34.05 1wr1 s LYS 6 CO -0.02 -0.05 1.09 0.95 1.55 0.00 0.00 175.35 178.87 1wr1 s THR 7 N 1.01 2.57 0.24 3.43 -4.23 0.01 -1.24 115.64 117.44 1wr1 s THR 7 Ca -0.01 0.19 0.19 0.00 -1.18 0.00 0.00 61.69 60.87 1wr1 s THR 7 Cb -0.15 -2.62 0.14 0.00 1.34 0.00 0.00 72.50 71.22 1wr1 s THR 7 CO -0.02 -0.24 1.79 -0.07 -0.54 0.00 0.00 174.62 175.53 1wr1 h LEU 8 N -1.64 0.00 -0.37 4.79 3.38 -1.91 -3.16 115.31 116.39 1wr1 h LEU 8 Ca -0.50 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.29 1wr1 h LEU 8 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1wr1 h LEU 8 CO 0.54 0.35 -0.58 0.74 0.09 0.00 0.00 178.44 179.58 1wr1 h THR 9 N 0.00 1.30 0.00 0.22 2.02 -1.95 -3.48 112.91 111.02 1wr1 h THR 9 Ca -0.00 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1wr1 h THR 9 Cb 0.79 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1wr1 h THR 9 CO 0.05 0.57 0.00 0.61 0.37 0.00 0.00 175.52 177.12 1wr1 n GLY 10 N 0.36 0.25 3.73 2.16 0.00 -1.19 -5.15 105.19 105.36 1wr1 n GLY 10 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1wr1 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr1 s LYS 11 N 0.00 4.58 -0.31 1.61 2.47 -1.26 -4.86 119.74 121.97 1wr1 s LYS 11 Ca 0.00 1.24 -0.06 0.00 -1.56 0.00 0.00 55.97 55.59 1wr1 s LYS 11 Cb 0.00 -3.38 0.02 0.00 -1.46 0.00 0.00 37.83 33.01 1wr1 s LYS 11 CO 0.00 0.21 0.07 0.99 0.16 0.00 0.00 175.35 176.79 1wr1 s THR 12 N 0.11 3.76 0.46 3.43 2.01 -1.26 -0.81 115.64 123.34 1wr1 s THR 12 Ca 0.43 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.43 1wr1 s THR 12 Cb -0.22 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 1wr1 s THR 12 CO 0.26 -0.00 0.83 -0.63 -0.69 0.00 0.00 174.62 174.39 1wr1 s ILE 13 N 1.44 4.78 -0.03 1.82 -1.09 0.71 -4.93 121.20 123.90 1wr1 s ILE 13 Ca 0.01 0.62 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 1wr1 s ILE 13 Cb -0.18 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1wr1 s ILE 13 CO 0.02 -0.70 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.08 1wr1 s THR 14 N -2.59 0.61 -0.02 2.92 2.01 -1.26 -1.07 115.64 116.23 1wr1 s THR 14 Ca 0.52 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.33 1wr1 s THR 14 Cb -0.10 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1wr1 s THR 14 CO 0.37 0.22 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.67 1wr1 s LEU 15 N 0.58 1.82 -0.74 4.42 1.43 0.29 -4.99 118.68 121.48 1wr1 s LEU 15 Ca -0.08 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 1wr1 s LEU 15 Cb -0.12 -0.56 0.12 0.00 0.03 0.00 0.00 46.19 45.66 1wr1 s LEU 15 CO 0.00 0.08 0.89 -0.70 0.23 0.00 0.00 176.35 176.85 1wr1 s GLU 16 N 0.13 3.30 0.46 1.70 2.12 -1.26 -0.95 118.70 124.20 1wr1 s GLU 16 Ca -0.02 -1.53 0.03 0.00 0.36 0.00 0.00 54.97 53.81 1wr1 s GLU 16 Cb -0.08 -4.48 -0.03 0.00 0.26 0.00 0.00 34.13 29.79 1wr1 s GLU 16 CO 0.00 -1.63 0.03 0.14 -0.54 0.00 0.00 175.26 173.26 1wr1 s VAL 17 N 2.59 1.25 0.35 3.70 -7.23 -1.15 -4.97 120.40 114.93 1wr1 s VAL 17 Ca 0.21 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.46 1wr1 s VAL 17 Cb -0.15 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1wr1 s VAL 17 CO 0.00 0.00 0.03 -1.61 -0.31 0.00 0.00 175.10 173.21 1wr1 s GLU 18 N -3.81 2.10 0.59 4.82 0.41 -1.26 -3.48 118.70 118.07 1wr1 s GLU 18 Ca 0.17 -1.75 0.38 0.00 -0.41 0.00 0.00 54.97 53.36 1wr1 s GLU 18 Cb 0.04 -1.94 2.08 0.00 -1.78 0.00 0.00 34.13 32.53 1wr1 s GLU 18 CO 0.09 0.11 2.17 0.66 -0.49 0.00 0.00 175.26 177.80 1wr1 h SER 19 N 1.77 0.00 0.04 -0.19 4.64 -1.97 -2.34 113.55 115.49 1wr1 h SER 19 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1wr1 h SER 19 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wr1 h SER 19 CO 0.67 0.00 -0.61 -1.20 -0.87 0.00 0.00 176.83 174.82 1wr1 n SER 20 N -2.87 1.56 -4.70 4.97 7.64 -1.26 -1.73 113.62 117.23 1wr1 n SER 20 Ca -0.03 -1.24 -0.30 0.00 1.01 0.00 0.00 58.87 58.31 1wr1 n SER 20 Cb 0.09 0.59 0.14 0.00 -1.01 0.00 0.00 64.21 64.02 1wr1 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wr1 s ASP 21 N -2.66 3.44 0.28 6.43 1.01 -0.88 -4.87 116.67 119.41 1wr1 s ASP 21 Ca 0.16 1.82 0.06 0.00 0.71 0.00 0.00 52.55 55.29 1wr1 s ASP 21 Cb 0.18 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1wr1 s ASP 21 CO 0.66 -2.71 0.39 0.42 0.21 0.00 0.00 175.17 174.14 1wr1 s THR 22 N -2.80 4.78 0.23 -1.27 -4.23 -1.26 -2.38 115.64 108.71 1wr1 s THR 22 Ca 0.64 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.07 1wr1 s THR 22 Cb -0.20 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 70.18 1wr1 s THR 22 CO 0.58 -0.27 1.87 0.40 -0.54 0.00 0.00 174.62 176.66 1wr1 h ILE 23 N 1.08 1.13 -0.74 2.99 1.08 -1.15 -0.43 117.51 121.48 1wr1 h ILE 23 Ca -0.50 -0.36 0.09 0.00 -0.39 0.00 0.00 64.86 63.71 1wr1 h ILE 23 Cb 1.24 -0.02 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1wr1 h ILE 23 CO 0.58 0.19 0.39 -0.78 -0.69 0.00 0.00 178.15 177.84 1wr1 h ASP 24 N 1.06 0.52 -0.06 1.72 3.58 -1.73 -1.88 116.42 119.63 1wr1 h ASP 24 Ca 0.34 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1wr1 h ASP 24 Cb 0.02 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1wr1 h ASP 24 CO -0.12 0.30 0.01 0.78 -2.88 0.00 0.00 179.24 177.33 1wr1 h ASN 25 N 0.65 0.09 -0.03 2.28 2.35 -1.63 -2.64 115.58 116.65 1wr1 h ASN 25 Ca 0.36 -0.24 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1wr1 h ASN 25 Cb 0.37 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.66 1wr1 h ASN 25 CO -0.26 0.31 -0.33 0.58 -1.65 0.00 0.00 177.43 176.08 1wr1 h VAL 26 N -0.14 0.29 -0.69 2.81 2.07 -0.80 -1.54 116.25 118.25 1wr1 h VAL 26 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.69 1wr1 h VAL 26 Cb 0.26 0.29 -0.12 0.00 -1.52 0.00 0.00 31.29 30.19 1wr1 h VAL 26 CO 0.00 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.69 1wr1 h LYS 27 N -0.46 0.10 0.00 1.57 1.57 -1.39 0.06 116.57 118.01 1wr1 h LYS 27 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1wr1 h LYS 27 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1wr1 h LYS 27 CO -0.29 0.06 0.00 1.03 -0.57 0.00 0.00 179.45 179.69 1wr1 h SER 28 N 0.10 0.00 0.75 0.86 0.87 -0.93 -2.37 113.55 112.83 1wr1 h SER 28 Ca 0.37 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.72 1wr1 h SER 28 Cb 0.62 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1wr1 h SER 28 CO -0.61 0.00 -1.36 0.11 -0.53 0.00 0.00 176.83 174.43 1wr1 h LYS 29 N 0.00 0.00 -0.38 2.24 1.79 -0.08 -3.26 116.57 116.88 1wr1 h LYS 29 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wr1 h LYS 29 Cb 0.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1wr1 h LYS 29 CO 0.00 0.48 0.24 0.82 -1.08 0.00 0.00 179.45 179.91 1wr1 h ILE 30 N 0.00 1.10 0.00 1.86 5.03 -1.28 -1.46 117.51 122.76 1wr1 h ILE 30 Ca -0.17 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.37 1wr1 h ILE 30 Cb 1.74 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 36.09 1wr1 h ILE 30 CO 0.07 0.10 0.00 -0.61 -0.68 0.00 0.00 178.15 177.03 1wr1 h GLN 31 N 0.51 0.00 0.00 2.37 4.15 -1.59 -0.54 115.11 120.01 1wr1 h GLN 31 Ca 0.14 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.42 1wr1 h GLN 31 Cb -0.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1wr1 h GLN 31 CO -0.03 0.00 -0.64 0.22 -1.93 0.00 0.00 178.83 176.45 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.38 -3.22 116.42 114.71 1wr1 h ASP 32 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 1wr1 h ASP 32 Cb 0.17 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 1wr1 h ASP 32 CO 0.00 0.64 -1.71 0.29 -2.88 0.00 0.00 179.24 175.58 1wr1 n LYS 33 N -3.29 0.57 0.00 0.28 4.76 -0.31 -4.83 118.16 115.34 1wr1 n LYS 33 Ca 0.01 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.92 1wr1 n LYS 33 Cb 0.78 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1wr1 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wr1 n GLU 34 N -4.37 3.72 0.00 1.97 -0.58 -0.61 -5.08 120.64 115.70 1wr1 n GLU 34 Ca -0.40 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.34 1wr1 n GLU 34 Cb 0.75 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 1wr1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wr1 n GLY 35 N 0.64 1.11 3.64 0.62 0.00 -1.10 -5.00 105.19 105.10 1wr1 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wr1 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr1 s ILE 36 N -2.00 3.11 0.02 -0.61 -1.09 -1.26 -4.77 121.20 114.60 1wr1 s ILE 36 Ca 0.00 0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.24 1wr1 s ILE 36 Cb 0.00 -3.10 -0.07 0.00 -1.58 0.00 0.00 42.46 37.71 1wr1 s ILE 36 CO 0.00 -0.03 1.60 -2.16 -1.23 0.00 0.00 174.94 173.12 1wr1 s PRO 37 N 4.89 4.21 0.37 2.79 0.04 -1.26 -3.80 135.00 142.24 1wr1 s PRO 37 Ca 0.89 2.22 0.26 0.00 0.04 0.00 0.00 61.00 64.41 1wr1 s PRO 37 Cb -0.38 -3.69 1.30 0.00 0.04 0.00 0.00 34.50 31.77 1wr1 s PRO 37 CO 0.38 -0.73 1.80 -1.00 0.04 0.00 0.00 177.00 177.49 1wr1 h PRO 38 N 8.54 0.00 -0.01 0.56 0.13 -1.92 -1.17 132.00 138.14 1wr1 h PRO 38 Ca -0.41 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.57 1wr1 h PRO 38 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1wr1 h PRO 38 CO 0.93 0.00 -0.73 0.22 -0.23 0.00 0.00 178.00 178.19 1wr1 h ASP 39 N 0.00 0.05 0.33 1.44 3.58 -1.97 -3.33 116.42 116.52 1wr1 h ASP 39 Ca 0.00 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1wr1 h ASP 39 Cb 0.15 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1wr1 h ASP 39 CO 0.00 0.76 -0.72 0.00 -2.88 0.00 0.00 179.24 176.40 1wr1 n GLN 40 N -3.70 0.04 -4.19 0.28 6.02 -0.45 -4.94 117.38 110.44 1wr1 n GLN 40 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.72 1wr1 n GLN 40 Cb 0.71 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 30.38 1wr1 n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1wr1 s GLN 41 N -3.02 2.50 0.26 -1.09 -2.07 -1.17 -0.64 119.66 114.42 1wr1 s GLN 41 Ca 0.09 -1.08 0.07 0.00 -1.82 0.00 0.00 55.36 52.62 1wr1 s GLN 41 Cb 0.17 -2.40 -0.05 0.00 -1.09 0.00 0.00 33.01 29.63 1wr1 s GLN 41 CO 0.77 0.45 -0.09 1.03 -1.32 0.00 0.00 175.29 176.13 1wr1 s ARG 42 N -3.03 1.49 0.15 9.60 0.52 0.16 -4.95 118.95 122.89 1wr1 s ARG 42 Ca 0.28 -1.73 0.10 0.00 -0.52 0.00 0.00 55.73 53.86 1wr1 s ARG 42 Cb -0.09 -1.17 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 1wr1 s ARG 42 CO 0.20 0.09 -0.23 -0.51 0.02 0.00 0.00 175.30 174.86 1wr1 s LEU 43 N -3.41 2.38 -0.05 2.53 1.43 -1.26 -0.62 118.68 119.67 1wr1 s LEU 43 Ca 0.28 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1wr1 s LEU 43 Cb 0.02 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.19 1wr1 s LEU 43 CO 0.11 0.10 -0.09 -0.63 0.23 0.00 0.00 176.35 176.06 1wr1 s ILE 44 N -1.47 0.86 -0.02 -0.59 -1.09 -0.37 -0.96 121.20 117.55 1wr1 s ILE 44 Ca 0.15 -0.33 -0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1wr1 s ILE 44 Cb -0.08 -0.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.99 1wr1 s ILE 44 CO 0.07 0.29 0.08 0.12 -1.23 0.00 0.00 174.94 174.27 1wr1 s PHE 45 N 0.70 -0.04 -0.80 3.97 5.36 -0.61 -2.18 117.98 124.37 1wr1 s PHE 45 Ca -0.12 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1wr1 s PHE 45 Cb -0.15 -0.00 0.00 0.00 -0.34 0.00 0.00 43.02 42.53 1wr1 s PHE 45 CO 0.02 -0.09 0.00 0.00 -1.46 0.00 0.00 175.22 173.69 1wr1 n ALA 46 N 2.67 -0.69 -0.34 11.12 0.00 -1.26 -0.82 120.51 131.20 1wr1 n ALA 46 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wr1 n ALA 46 Cb 0.58 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1wr1 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wr1 n GLY 47 N -0.60 2.16 3.78 0.00 0.00 -1.26 -5.03 105.19 104.24 1wr1 n GLY 47 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1wr1 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wr1 s LYS 48 N -0.02 4.40 -0.12 1.61 -0.14 0.00 -5.06 119.74 120.40 1wr1 s LYS 48 Ca 0.00 0.94 -0.29 0.00 -1.36 0.00 0.00 55.97 55.25 1wr1 s LYS 48 Cb 0.00 -3.28 -0.01 0.00 -1.68 0.00 0.00 37.83 32.86 1wr1 s LYS 48 CO 0.00 0.52 1.02 -1.14 -0.76 0.00 0.00 175.35 175.00 1wr1 s GLN 49 N -0.83 4.39 -0.04 1.68 0.74 -1.26 -1.58 119.66 122.75 1wr1 s GLN 49 Ca 0.33 1.40 -0.20 0.00 0.05 0.00 0.00 55.36 56.95 1wr1 s GLN 49 Cb -0.21 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.29 1wr1 s GLN 49 CO 0.22 -0.38 0.56 -0.51 -0.55 0.00 0.00 175.29 174.63 1wr1 s LEU 50 N 2.23 4.37 0.13 3.68 1.43 -0.13 -5.00 118.68 125.40 1wr1 s LEU 50 Ca 0.48 1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 1wr1 s LEU 50 Cb -0.18 -2.85 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 1wr1 s LEU 50 CO 0.16 0.07 0.55 -0.70 0.23 0.00 0.00 176.35 176.67 1wr1 s GLU 51 N 0.05 4.02 0.26 1.70 2.12 -1.26 -4.44 118.70 121.15 1wr1 s GLU 51 Ca 0.30 0.54 -0.04 0.00 0.36 0.00 0.00 54.97 56.12 1wr1 s GLU 51 Cb -0.17 -2.99 0.34 0.00 0.26 0.00 0.00 34.13 31.57 1wr1 s GLU 51 CO 0.15 0.51 1.90 -0.44 -0.54 0.00 0.00 175.26 176.83 1wr1 h ASP 52 N 3.74 1.06 0.33 -1.70 3.32 -1.98 -2.55 116.42 118.65 1wr1 h ASP 52 Ca -0.49 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1wr1 h ASP 52 Cb 1.20 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1wr1 h ASP 52 CO 0.65 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 179.49 1wr1 n GLY 53 N -1.36 -1.12 3.89 2.75 0.00 -1.26 -2.31 105.19 105.78 1wr1 n GLY 53 Ca 0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1wr1 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr1 s ARG 54 N -2.35 2.66 0.43 1.61 1.81 -0.96 -4.90 118.95 117.25 1wr1 s ARG 54 Ca 0.34 0.33 0.08 0.00 -1.72 0.00 0.00 55.73 54.76 1wr1 s ARG 54 Cb 0.20 -2.03 0.01 0.00 -0.45 0.00 0.00 34.95 32.67 1wr1 s ARG 54 CO 0.40 -1.13 0.53 0.95 -0.68 0.00 0.00 175.30 175.38 1wr1 s THR 55 N -3.37 2.84 0.13 0.02 -4.23 -1.26 -1.07 115.64 108.71 1wr1 s THR 55 Ca 0.59 -1.09 -0.18 0.00 -1.18 0.00 0.00 61.69 59.82 1wr1 s THR 55 Cb -0.11 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1wr1 s THR 55 CO 0.50 0.00 1.78 -0.07 -0.54 0.00 0.00 174.62 176.29 1wr1 h LEU 56 N 0.71 0.35 -2.30 4.79 -0.00 -1.50 -2.96 115.31 114.40 1wr1 h LEU 56 Ca -0.40 -0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.49 1wr1 h LEU 56 Cb 1.28 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1wr1 h LEU 56 CO 0.48 0.27 0.11 0.77 -0.00 0.00 0.00 178.44 180.08 1wr1 h SER 57 N 0.39 0.00 -0.80 -0.43 4.64 -1.57 -1.88 113.55 113.90 1wr1 h SER 57 Ca 0.11 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1wr1 h SER 57 Cb -0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.03 1wr1 h SER 57 CO -0.02 0.00 0.53 -0.78 -0.87 0.00 0.00 176.83 175.69 1wr1 h ASP 58 N 0.00 0.91 -0.67 4.97 3.58 -1.81 -1.96 116.42 121.44 1wr1 h ASP 58 Ca 0.05 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1wr1 h ASP 58 Cb 0.28 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1wr1 h ASP 58 CO -0.00 0.66 0.00 -1.22 -2.88 0.00 0.00 179.24 175.80 1wr1 n TYR 59 N -4.42 1.37 -2.28 0.28 4.01 -0.98 -4.95 117.16 110.20 1wr1 n TYR 59 Ca 0.09 -0.59 -0.18 0.00 -0.16 0.00 0.00 57.90 57.06 1wr1 n TYR 59 Cb 0.04 -0.19 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 1wr1 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wr1 n ASN 60 N 1.25 -5.28 -4.68 7.72 5.15 -0.74 -4.94 115.26 113.75 1wr1 n ASN 60 Ca 0.26 0.11 -0.49 0.00 -0.60 0.00 0.00 54.58 53.86 1wr1 n ASN 60 Cb 0.83 -4.45 -0.05 0.00 -0.53 0.00 0.00 39.78 35.58 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1wr1 n ILE 61 N -3.58 0.58 -2.63 -1.44 2.08 -0.75 -4.96 119.36 108.65 1wr1 n ILE 61 Ca -0.21 -0.10 -0.22 0.00 0.56 0.00 0.00 62.75 62.77 1wr1 n ILE 61 Cb 0.66 -1.86 0.06 0.00 -0.75 0.00 0.00 39.64 37.75 1wr1 n ILE 61 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1wr1 s GLN 62 N 4.10 2.20 0.86 0.38 -1.52 -1.26 -4.53 119.66 119.90 1wr1 s GLN 62 Ca 0.93 -0.94 -0.11 0.00 -1.95 0.00 0.00 55.36 53.29 1wr1 s GLN 62 Cb -0.71 -2.43 0.12 0.00 -0.22 0.00 0.00 33.01 29.77 1wr1 s GLN 62 CO 0.52 -1.00 1.16 -1.59 -0.25 0.00 0.00 175.29 174.13 1wr1 s LYS 63 N -4.91 1.35 -1.00 2.91 0.00 -1.26 -3.40 119.74 113.43 1wr1 s LYS 63 Ca 0.61 1.57 0.00 0.00 0.00 0.00 0.00 55.97 58.15 1wr1 s LYS 63 Cb -0.08 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 35.98 1wr1 s LYS 63 CO 0.41 -2.39 0.00 -0.85 0.00 0.00 0.00 175.35 172.52 1wr1 n GLU 64 N -3.86 -1.50 -1.68 1.78 0.28 0.75 -4.96 120.64 111.44 1wr1 n GLU 64 Ca 0.12 0.56 -0.35 0.00 -0.16 0.00 0.00 57.16 57.33 1wr1 n GLU 64 Cb 0.52 -4.84 0.07 0.00 1.43 0.00 0.00 31.44 28.62 1wr1 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1wr1 s SER 65 N -1.88 4.66 -0.50 -1.84 0.01 -1.22 -4.75 113.70 108.18 1wr1 s SER 65 Ca 0.00 2.33 0.04 0.00 1.31 0.00 0.00 55.95 59.63 1wr1 s SER 65 Cb 0.00 -2.59 0.13 0.00 0.21 0.00 0.00 66.02 63.77 1wr1 s SER 65 CO 0.00 -1.95 0.23 0.42 0.41 0.00 0.00 173.24 172.36 1wr1 s THR 66 N -1.88 2.54 0.52 1.44 -4.23 -1.26 -0.47 115.64 112.29 1wr1 s THR 66 Ca 0.75 -3.20 0.08 0.00 -1.18 0.00 0.00 61.69 58.14 1wr1 s THR 66 Cb -0.29 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 70.83 1wr1 s THR 66 CO 0.41 -0.78 0.71 -0.76 -0.54 0.00 0.00 174.62 173.66 1wr1 s LEU 67 N -0.14 3.35 0.19 4.79 2.01 -0.15 -4.98 118.68 123.74 1wr1 s LEU 67 Ca 0.16 -0.57 0.10 0.00 0.01 0.00 0.00 54.13 53.84 1wr1 s LEU 67 Cb -0.25 -2.19 -0.04 0.00 0.01 0.00 0.00 46.19 43.71 1wr1 s LEU 67 CO -0.01 -1.11 -0.18 -1.00 1.01 0.00 0.00 176.35 175.06 1wr1 s HIS 68 N -2.57 2.44 0.10 0.29 3.76 -0.93 -0.64 115.29 117.74 1wr1 s HIS 68 Ca 0.59 -0.30 0.10 0.00 -0.15 0.00 0.00 55.06 55.30 1wr1 s HIS 68 Cb -0.08 -1.20 -0.04 0.00 1.11 0.00 0.00 32.58 32.38 1wr1 s HIS 68 CO 0.37 0.51 -0.25 -0.48 -0.85 0.00 0.00 174.74 174.03 1wr1 s LEU 69 N -2.74 2.26 -0.26 0.89 2.34 -0.38 -1.24 118.68 119.56 1wr1 s LEU 69 Ca 0.23 -0.68 -0.01 0.00 0.06 0.00 0.00 54.13 53.72 1wr1 s LEU 69 Cb -0.08 -1.16 0.08 0.00 -0.56 0.00 0.00 46.19 44.47 1wr1 s LEU 69 CO 0.12 0.18 0.06 -0.69 -1.06 0.00 0.00 176.35 174.96 1wr1 s VAL 70 N -0.99 0.84 0.07 1.48 1.01 0.21 -4.03 120.40 118.98 1wr1 s VAL 70 Ca 0.12 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 1wr1 s VAL 70 Cb -0.10 -1.47 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 1wr1 s VAL 70 CO 0.04 -0.45 1.17 -0.76 0.00 0.00 0.00 175.10 175.10 1wr1 s LEU 71 N 1.67 4.38 0.58 3.92 2.01 -1.26 -0.67 118.68 129.31 1wr1 s LEU 71 Ca 0.04 2.00 0.39 0.00 0.01 0.00 0.00 54.13 56.57 1wr1 s LEU 71 Cb -0.17 -3.58 2.10 0.00 0.01 0.00 0.00 46.19 44.54 1wr1 s LEU 71 CO -0.17 -0.43 2.19 0.08 1.01 0.00 0.00 176.35 179.03 1wr1 h ARG 72 N 6.64 0.00 0.00 1.70 0.11 -1.22 -0.23 114.38 121.38 1wr1 h ARG 72 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1wr1 h ARG 72 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1wr1 h ARG 72 CO 0.80 0.00 0.00 1.28 0.10 0.00 0.00 179.97 182.15 1wr1 n LEU 73 N -2.88 0.60 0.00 0.08 4.32 -1.26 -4.18 117.00 113.67 1wr1 n LEU 73 Ca -0.02 0.58 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 1wr1 n LEU 73 Cb 0.07 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1wr1 n LEU 73 CO 0.18 -0.25 -0.41 -1.14 -1.22 0.00 0.00 177.39 174.55 1wr1 n ARG 74 N -2.09 2.28 -1.05 3.23 0.63 -0.60 -5.07 116.66 113.99 1wr1 n ARG 74 Ca 0.05 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.79 1wr1 n ARG 74 Cb 0.35 -0.91 0.13 0.00 0.45 0.00 0.00 32.46 32.48 1wr1 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wr1 n GLY 75 N 2.75 -1.67 0.00 5.14 0.00 -0.20 -5.05 105.19 106.15 1wr1 n GLY 75 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93