#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 1.15 0.14 3.17 -2.07 -1.26 -2.30 119.66 118.49 1wr1 s GLN 2 Ca 0.00 -1.52 -0.05 0.00 -1.82 0.00 0.00 55.36 51.97 1wr1 s GLN 2 Cb 0.00 -0.62 -0.02 0.00 -1.09 0.00 0.00 33.01 31.28 1wr1 s GLN 2 CO 0.00 0.02 0.16 0.96 -1.32 0.00 0.00 175.29 175.11 1wr1 s ILE 3 N -3.36 0.09 0.09 3.63 -5.25 -0.65 -0.32 121.20 115.43 1wr1 s ILE 3 Ca 0.21 -1.64 0.08 0.00 -0.99 0.00 0.00 60.65 58.30 1wr1 s ILE 3 Cb 0.04 -1.90 -0.03 0.00 2.95 0.00 0.00 42.46 43.51 1wr1 s ILE 3 CO 0.03 -0.42 -0.21 -0.36 -1.79 0.00 0.00 174.94 172.19 1wr1 s PHE 4 N -4.00 1.85 -0.04 1.37 0.40 0.14 -0.58 117.98 117.12 1wr1 s PHE 4 Ca 0.20 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1wr1 s PHE 4 Cb 0.06 -1.03 0.03 0.00 0.51 0.00 0.00 43.02 42.58 1wr1 s PHE 4 CO -0.00 0.19 0.04 0.08 0.70 0.00 0.00 175.22 176.23 1wr1 s VAL 5 N -1.06 0.01 -0.24 -0.44 1.01 -0.14 -1.03 120.40 118.51 1wr1 s VAL 5 Ca 0.07 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1wr1 s VAL 5 Cb -0.10 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.10 1wr1 s VAL 5 CO 0.04 0.17 -0.08 -0.75 0.00 0.00 0.00 175.10 174.48 1wr1 s LYS 6 N 1.79 2.90 0.87 2.72 2.36 0.07 -0.31 119.74 130.14 1wr1 s LYS 6 Ca 0.00 -0.93 -0.12 0.00 -2.55 0.00 0.00 55.97 52.38 1wr1 s LYS 6 Cb -0.12 -2.93 0.11 0.00 -1.05 0.00 0.00 37.83 33.84 1wr1 s LYS 6 CO -0.03 -0.35 1.15 -0.08 1.55 0.00 0.00 175.35 177.59 1wr1 s THR 7 N 1.33 2.03 0.28 3.43 -1.32 -0.53 -1.79 115.64 119.06 1wr1 s THR 7 Ca 0.01 0.01 -0.03 0.00 -1.21 0.00 0.00 61.69 60.47 1wr1 s THR 7 Cb -0.16 -2.86 0.22 0.00 -1.51 0.00 0.00 72.50 68.19 1wr1 s THR 7 CO -0.05 -0.01 1.90 -0.07 -2.21 0.00 0.00 174.62 174.17 1wr1 h LEU 8 N -1.31 0.96 -1.21 9.08 3.38 -1.91 -2.89 115.31 121.42 1wr1 h LEU 8 Ca -0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 1wr1 h LEU 8 Cb 1.33 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1wr1 h LEU 8 CO 0.64 0.77 0.37 0.74 0.09 0.00 0.00 178.44 181.05 1wr1 h THR 9 N 1.08 1.20 0.00 0.22 2.02 -1.94 -3.47 112.91 112.02 1wr1 h THR 9 Ca 0.28 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1wr1 h THR 9 Cb 0.02 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1wr1 h THR 9 CO -0.05 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.67 1wr1 n GLY 10 N -1.25 0.55 3.73 2.16 0.00 -1.09 -5.14 105.19 104.15 1wr1 n GLY 10 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 4.67 -0.30 1.61 2.47 -1.26 -4.84 119.74 122.09 1wr1 s LYS 11 Ca 0.00 1.52 -0.09 0.00 -1.56 0.00 0.00 55.97 55.84 1wr1 s LYS 11 Cb 0.00 -3.35 -0.01 0.00 -1.46 0.00 0.00 37.83 33.01 1wr1 s LYS 11 CO 0.00 0.18 0.14 0.99 0.16 0.00 0.00 175.35 176.82 1wr1 s THR 12 N -0.06 4.58 0.35 3.43 2.01 -1.26 -1.45 115.64 123.24 1wr1 s THR 12 Ca 0.48 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 1wr1 s THR 12 Cb -0.25 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1wr1 s THR 12 CO 0.31 0.12 0.60 -0.63 -0.69 0.00 0.00 174.62 174.32 1wr1 s ILE 13 N 1.62 5.04 -0.03 1.82 -1.09 0.58 -4.94 121.20 124.19 1wr1 s ILE 13 Ca 0.05 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1wr1 s ILE 13 Cb -0.17 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1wr1 s ILE 13 CO 0.06 -0.52 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.24 1wr1 s THR 14 N -2.31 1.01 0.18 2.92 2.01 -1.26 -0.97 115.64 117.22 1wr1 s THR 14 Ca 0.43 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1wr1 s THR 14 Cb -0.10 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1wr1 s THR 14 CO 0.35 0.30 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.79 1wr1 s LEU 15 N 0.18 2.28 -0.33 4.42 1.43 0.25 -5.00 118.68 121.91 1wr1 s LEU 15 Ca -0.04 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 51.96 1wr1 s LEU 15 Cb -0.10 -0.22 0.10 0.00 0.03 0.00 0.00 46.19 46.00 1wr1 s LEU 15 CO 0.01 -0.47 0.04 -0.70 0.23 0.00 0.00 176.35 175.46 1wr1 s GLU 16 N -3.84 1.51 0.39 1.70 2.12 -1.26 -1.63 118.70 117.69 1wr1 s GLU 16 Ca 0.23 -1.82 0.04 0.00 0.36 0.00 0.00 54.97 53.78 1wr1 s GLU 16 Cb 0.05 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.25 1wr1 s GLU 16 CO 0.04 -0.91 0.13 0.14 -0.54 0.00 0.00 175.26 174.12 1wr1 s VAL 17 N 0.93 0.59 0.35 3.70 -7.23 -0.97 -4.95 120.40 112.81 1wr1 s VAL 17 Ca 0.10 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.35 1wr1 s VAL 17 Cb -0.19 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 1wr1 s VAL 17 CO -0.08 0.00 0.08 -1.61 -0.31 0.00 0.00 175.10 173.17 1wr1 s GLU 18 N -3.72 2.20 0.67 4.82 0.41 -1.26 -0.61 118.70 121.21 1wr1 s GLU 18 Ca 0.26 -1.68 0.40 0.00 -0.41 0.00 0.00 54.97 53.54 1wr1 s GLU 18 Cb 0.03 -2.03 2.17 0.00 -1.78 0.00 0.00 34.13 32.52 1wr1 s GLU 18 CO 0.15 0.11 2.22 0.77 -0.49 0.00 0.00 175.26 178.02 1wr1 h SER 19 N 1.68 0.00 -0.01 -0.19 0.02 -1.97 -2.51 113.55 110.56 1wr1 h SER 19 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1wr1 h SER 19 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wr1 h SER 19 CO 0.66 0.00 -0.39 -1.20 -1.14 0.00 0.00 176.83 174.76 1wr1 n SER 20 N -3.01 1.87 -4.74 3.07 7.64 -1.26 -1.43 113.62 115.76 1wr1 n SER 20 Ca -0.03 -1.43 -0.32 0.00 1.01 0.00 0.00 58.87 58.10 1wr1 n SER 20 Cb 0.17 0.45 0.11 0.00 -1.01 0.00 0.00 64.21 63.93 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 -2.17 4.11 0.44 6.43 1.01 -0.94 -4.87 116.67 120.68 1wr1 s ASP 21 Ca 0.16 2.00 -0.02 0.00 0.71 0.00 0.00 52.55 55.40 1wr1 s ASP 21 Cb 0.16 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 1wr1 s ASP 21 CO 0.48 -2.30 0.69 0.42 0.21 0.00 0.00 175.17 174.66 1wr1 s THR 22 N -2.67 4.73 0.23 -1.27 -4.23 -1.26 -2.40 115.64 108.77 1wr1 s THR 22 Ca 0.65 -0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 1wr1 s THR 22 Cb -0.20 -3.77 0.19 0.00 1.34 0.00 0.00 72.50 70.07 1wr1 s THR 22 CO 0.54 -0.63 1.87 0.40 -0.54 0.00 0.00 174.62 176.26 1wr1 h ILE 23 N 0.41 1.13 -0.96 2.99 1.08 -1.10 -1.47 117.51 119.59 1wr1 h ILE 23 Ca -0.48 -0.35 0.11 0.00 -0.39 0.00 0.00 64.86 63.75 1wr1 h ILE 23 Cb 1.22 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.90 1wr1 h ILE 23 CO 0.61 0.19 0.60 -0.78 -0.69 0.00 0.00 178.15 178.07 1wr1 h ASP 24 N 1.03 0.89 -0.22 1.72 3.58 -1.66 -2.19 116.42 119.56 1wr1 h ASP 24 Ca 0.33 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.80 1wr1 h ASP 24 Cb 0.02 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1wr1 h ASP 24 CO -0.12 0.49 0.06 0.78 -2.88 0.00 0.00 179.24 177.58 1wr1 h ASN 25 N 0.98 0.33 -0.14 2.28 2.35 -1.66 -2.71 115.58 117.02 1wr1 h ASN 25 Ca 0.46 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 1wr1 h ASN 25 Cb 0.41 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 1wr1 h ASN 25 CO -0.25 0.46 -0.18 0.58 -1.65 0.00 0.00 177.43 176.40 1wr1 h VAL 26 N 0.18 0.53 -0.71 2.81 2.07 -0.82 -1.70 116.25 118.61 1wr1 h VAL 26 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.75 1wr1 h VAL 26 Cb 0.25 0.53 -0.12 0.00 -1.52 0.00 0.00 31.29 30.44 1wr1 h VAL 26 CO -0.00 0.00 0.08 0.11 0.02 0.00 0.00 177.57 177.78 1wr1 h LYS 27 N -0.22 0.16 0.00 1.57 1.57 -1.38 0.27 116.57 118.54 1wr1 h LYS 27 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1wr1 h LYS 27 Cb 0.37 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1wr1 h LYS 27 CO -0.27 0.11 0.00 1.03 -0.57 0.00 0.00 179.45 179.75 1wr1 h SER 28 N 0.17 0.00 0.40 0.86 0.87 -0.99 -2.93 113.55 111.93 1wr1 h SER 28 Ca 0.39 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.64 1wr1 h SER 28 Cb 0.68 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.61 1wr1 h SER 28 CO -0.57 0.00 -1.75 0.11 -0.53 0.00 0.00 176.83 174.09 1wr1 h LYS 29 N 0.00 0.10 -0.75 2.24 1.79 -0.39 -3.29 116.57 116.27 1wr1 h LYS 29 Ca 0.00 -0.18 0.11 0.00 -2.18 0.00 0.00 60.65 58.40 1wr1 h LYS 29 Cb 0.21 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1wr1 h LYS 29 CO 0.00 0.79 0.49 0.82 -1.08 0.00 0.00 179.45 180.47 1wr1 h ILE 30 N 0.03 0.91 0.00 1.86 5.03 -1.38 -1.40 117.51 122.56 1wr1 h ILE 30 Ca -0.31 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.22 1wr1 h ILE 30 Cb 2.01 0.24 0.00 0.00 -3.03 0.00 0.00 36.82 36.04 1wr1 h ILE 30 CO 0.09 0.11 0.00 -0.61 -0.68 0.00 0.00 178.15 177.07 1wr1 h GLN 31 N 0.62 0.00 0.00 2.37 4.15 -1.62 -0.36 115.11 120.27 1wr1 h GLN 31 Ca 0.35 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.71 1wr1 h GLN 31 Cb 0.54 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 1wr1 h GLN 31 CO -0.13 0.00 -0.42 0.22 -1.93 0.00 0.00 178.83 176.57 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.41 -3.15 116.42 114.76 1wr1 h ASP 32 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 1wr1 h ASP 32 Cb 0.09 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.07 1wr1 h ASP 32 CO 0.00 0.29 -2.37 0.29 -2.88 0.00 0.00 179.24 174.56 1wr1 n LYS 33 N -3.12 0.58 0.00 0.28 4.76 -0.24 -4.82 118.16 115.59 1wr1 n LYS 33 Ca 0.02 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1wr1 n LYS 33 Cb 0.65 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 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 -3.45 2.77 -0.11 1.97 -0.58 -0.60 -5.06 120.64 115.57 1wr1 n GLU 34 Ca -0.44 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 1wr1 n GLU 34 Cb 0.92 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 31.04 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 1.37 0.88 3.68 0.62 0.00 -1.18 -5.00 105.19 105.55 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 -2.04 2.92 0.07 -0.61 -1.09 -1.26 -4.82 121.20 114.37 1wr1 s ILE 36 Ca 0.00 0.22 -0.31 0.00 -2.23 0.00 0.00 60.65 58.34 1wr1 s ILE 36 Cb 0.00 -3.14 -0.08 0.00 -1.58 0.00 0.00 42.46 37.66 1wr1 s ILE 36 CO 0.00 -0.01 1.50 -2.16 -1.23 0.00 0.00 174.94 173.04 1wr1 s PRO 37 N 3.36 4.26 0.00 2.79 0.04 -1.26 -3.93 135.00 140.25 1wr1 s PRO 37 Ca 0.80 2.16 0.05 0.00 0.04 0.00 0.00 61.00 64.05 1wr1 s PRO 37 Cb -0.42 -3.44 0.27 0.00 0.04 0.00 0.00 34.50 30.95 1wr1 s PRO 37 CO 0.36 -0.59 0.84 -0.35 0.04 0.00 0.00 177.00 177.30 1wr1 n PRO 38 N 4.87 0.12 0.06 0.56 -0.04 -1.26 -1.83 135.00 137.47 1wr1 n PRO 38 Ca 0.14 0.09 -0.18 0.00 -0.04 0.00 0.00 63.50 63.51 1wr1 n PRO 38 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1wr1 n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1wr1 h ASP 39 N 0.00 0.41 0.43 3.54 1.82 -1.96 -3.39 116.42 117.27 1wr1 h ASP 39 Ca 0.00 -0.60 -0.20 0.00 -0.39 0.00 0.00 57.03 55.84 1wr1 h ASP 39 Cb 0.02 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 1wr1 h ASP 39 CO 0.00 1.50 -0.85 1.56 -1.61 0.00 0.00 179.24 179.84 1wr1 h GLN 40 N 0.07 0.30 -6.58 0.28 7.50 -1.76 -3.47 115.11 111.46 1wr1 h GLN 40 Ca -0.27 -0.30 -0.51 0.00 0.50 0.00 0.00 58.65 58.07 1wr1 h GLN 40 Cb 2.03 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 29.64 1wr1 h GLN 40 CO 0.16 0.99 -0.09 1.14 -1.50 0.00 0.00 178.83 179.53 1wr1 s GLN 41 N -3.34 3.62 0.16 1.46 -2.07 -1.23 -0.84 119.66 117.42 1wr1 s GLN 41 Ca -0.04 0.04 0.04 0.00 -1.82 0.00 0.00 55.36 53.57 1wr1 s GLN 41 Cb 0.10 -2.59 -0.05 0.00 -1.09 0.00 0.00 33.01 29.38 1wr1 s GLN 41 CO 0.84 0.14 -0.06 1.03 -1.32 0.00 0.00 175.29 175.91 1wr1 s ARG 42 N -3.79 1.09 0.10 9.60 3.00 0.60 -4.97 118.95 124.58 1wr1 s ARG 42 Ca 0.45 -1.49 0.04 0.00 0.00 0.00 0.00 55.73 54.73 1wr1 s ARG 42 Cb -0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 34.95 34.29 1wr1 s ARG 42 CO 0.32 0.00 0.05 -0.51 0.00 0.00 0.00 175.30 175.16 1wr1 s LEU 43 N -3.18 3.63 -0.13 2.53 2.01 -1.26 -1.28 118.68 120.99 1wr1 s LEU 43 Ca 0.19 -0.13 -0.01 0.00 0.01 0.00 0.00 54.13 54.20 1wr1 s LEU 43 Cb 0.04 -2.32 0.04 0.00 0.01 0.00 0.00 46.19 43.96 1wr1 s LEU 43 CO 0.02 0.15 -0.04 -0.63 1.01 0.00 0.00 176.35 176.86 1wr1 s ILE 44 N -1.43 0.84 0.01 -0.59 -1.09 -0.36 -1.14 121.20 117.44 1wr1 s ILE 44 Ca 0.28 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 1wr1 s ILE 44 Cb -0.11 -1.01 -0.01 0.00 -1.58 0.00 0.00 42.46 39.75 1wr1 s ILE 44 CO 0.20 0.19 -0.03 0.12 -1.23 0.00 0.00 174.94 174.20 1wr1 s PHE 45 N 1.76 0.26 -0.90 3.97 5.36 -0.90 -2.94 117.98 124.60 1wr1 s PHE 45 Ca 0.03 -0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 55.77 1wr1 s PHE 45 Cb -0.14 -0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.39 1wr1 s PHE 45 CO -0.07 -0.05 0.12 0.00 -1.46 0.00 0.00 175.22 173.76 1wr1 n ALA 46 N 2.52 -0.90 -0.39 11.12 0.00 -1.26 -1.06 120.51 130.54 1wr1 n ALA 46 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1wr1 n ALA 46 Cb 0.58 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.83 1.42 3.76 0.00 0.00 -1.26 -5.02 105.19 103.26 1wr1 n GLY 47 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1wr1 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr1 s LYS 48 N -0.15 4.41 -0.44 1.61 2.47 -0.22 -5.04 119.74 122.38 1wr1 s LYS 48 Ca 0.00 0.90 -0.29 0.00 -1.56 0.00 0.00 55.97 55.02 1wr1 s LYS 48 Cb 0.00 -3.35 0.01 0.00 -1.46 0.00 0.00 37.83 33.04 1wr1 s LYS 48 CO 0.00 0.34 1.37 -1.14 0.16 0.00 0.00 175.35 176.07 1wr1 s GLN 49 N -0.16 3.58 0.21 4.03 0.74 -1.26 -2.11 119.66 124.68 1wr1 s GLN 49 Ca 0.35 0.83 -0.30 0.00 0.05 0.00 0.00 55.36 56.29 1wr1 s GLN 49 Cb -0.19 -4.01 -0.08 0.00 1.10 0.00 0.00 33.01 29.82 1wr1 s GLN 49 CO 0.20 -1.57 1.21 -0.51 -0.55 0.00 0.00 175.29 174.07 1wr1 s LEU 50 N 5.32 4.46 0.16 3.68 1.43 -0.29 -5.01 118.68 128.43 1wr1 s LEU 50 Ca 0.58 2.29 -0.23 0.00 -1.03 0.00 0.00 54.13 55.74 1wr1 s LEU 50 Cb -0.12 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1wr1 s LEU 50 CO 0.32 -0.38 0.72 -0.70 0.23 0.00 0.00 176.35 176.55 1wr1 s GLU 51 N -0.45 4.42 0.36 1.70 2.12 -1.26 -4.52 118.70 121.06 1wr1 s GLU 51 Ca 0.52 1.00 0.04 0.00 0.36 0.00 0.00 54.97 56.89 1wr1 s GLU 51 Cb -0.33 -3.17 0.67 0.00 0.26 0.00 0.00 34.13 31.56 1wr1 s GLU 51 CO 0.38 0.55 1.97 0.38 -0.54 0.00 0.00 175.26 178.00 1wr1 h ASP 52 N 4.16 0.59 0.31 -1.70 2.03 -1.95 -2.48 116.42 117.39 1wr1 h ASP 52 Ca -0.48 -0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1wr1 h ASP 52 Cb 1.20 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 1wr1 h ASP 52 CO 0.65 0.50 -0.01 0.61 -1.03 0.00 0.00 179.24 179.97 1wr1 n GLY 53 N -1.25 -1.12 3.90 7.15 0.00 -1.26 -1.99 105.19 110.63 1wr1 n GLY 53 Ca 0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.32 1.85 0.44 1.61 1.81 -0.93 -4.90 118.95 116.50 1wr1 s ARG 54 Ca 0.37 0.06 0.08 0.00 -1.72 0.00 0.00 55.73 54.51 1wr1 s ARG 54 Cb 0.21 -1.94 -0.01 0.00 -0.45 0.00 0.00 34.95 32.76 1wr1 s ARG 54 CO 0.42 -1.67 0.40 0.95 -0.68 0.00 0.00 175.30 174.73 1wr1 s THR 55 N -3.60 2.53 0.14 0.02 -4.23 -1.26 -0.96 115.64 108.28 1wr1 s THR 55 Ca 0.63 -1.34 -0.18 0.00 -1.18 0.00 0.00 61.69 59.62 1wr1 s THR 55 Cb -0.10 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 1wr1 s THR 55 CO 0.49 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.26 1wr1 h LEU 56 N 0.95 0.16 -1.99 4.79 -0.00 -1.49 -3.01 115.31 114.72 1wr1 h LEU 56 Ca -0.40 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.56 1wr1 h LEU 56 Cb 1.27 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1wr1 h LEU 56 CO 0.56 0.12 0.17 -1.28 -0.00 0.00 0.00 178.44 178.01 1wr1 h SER 57 N 0.25 0.02 -0.88 -0.43 0.87 -1.41 -1.84 113.55 110.12 1wr1 h SER 57 Ca 0.12 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.77 1wr1 h SER 57 Cb 0.06 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 1wr1 h SER 57 CO -0.10 0.01 0.57 -0.78 -0.53 0.00 0.00 176.83 176.00 1wr1 h ASP 58 N 0.02 0.78 -0.60 6.23 3.58 -1.81 -1.46 116.42 123.16 1wr1 h ASP 58 Ca 0.11 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1wr1 h ASP 58 Cb 0.42 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1wr1 h ASP 58 CO -0.00 0.46 0.00 -1.22 -2.88 0.00 0.00 179.24 175.60 1wr1 n TYR 59 N -4.53 1.21 -1.91 0.28 4.01 -1.00 -4.95 117.16 110.27 1wr1 n TYR 59 Ca 0.15 -0.59 -0.18 0.00 -0.16 0.00 0.00 57.90 57.12 1wr1 n TYR 59 Cb 0.31 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.03 -5.17 -4.71 7.72 2.85 -0.55 -4.97 115.26 111.46 1wr1 n ASN 60 Ca 0.23 0.22 -0.42 0.00 -0.11 0.00 0.00 54.58 54.50 1wr1 n ASN 60 Cb 0.78 -4.24 -0.03 0.00 1.24 0.00 0.00 39.78 37.53 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1wr1 s ILE 61 N -2.77 2.69 0.35 -1.44 -1.09 -0.73 -4.98 121.20 113.23 1wr1 s ILE 61 Ca 0.00 0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.84 1wr1 s ILE 61 Cb 0.00 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.62 1wr1 s ILE 61 CO 0.00 0.02 0.09 0.00 -1.23 0.00 0.00 174.94 173.82 1wr1 n GLN 62 N 4.56 0.74 -1.73 2.79 6.02 -1.26 -4.20 117.38 124.30 1wr1 n GLN 62 Ca 0.15 -2.83 -0.40 0.00 -0.01 0.00 0.00 57.00 53.91 1wr1 n GLN 62 Cb 0.39 1.33 0.02 0.00 1.02 0.00 0.00 30.24 33.00 1wr1 n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1wr1 n LYS 63 N -0.81 2.03 -1.48 -1.09 0.00 -1.26 -2.68 118.16 112.86 1wr1 n LYS 63 Ca -0.08 0.73 -0.17 0.00 -0.00 0.00 0.00 58.31 58.79 1wr1 n LYS 63 Cb 0.50 -2.52 -0.07 0.00 -0.00 0.00 0.00 35.03 32.94 1wr1 n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wr1 n GLU 64 N -0.21 -1.47 -1.79 -1.58 1.02 0.56 -4.97 120.64 112.20 1wr1 n GLU 64 Ca 0.07 1.05 -0.39 0.00 -0.02 0.00 0.00 57.16 57.86 1wr1 n GLU 64 Cb 0.41 -5.39 0.02 0.00 -0.02 0.00 0.00 31.44 26.47 1wr1 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wr1 s SER 65 N -2.52 5.68 -0.70 1.62 0.01 -1.09 -4.73 113.70 111.97 1wr1 s SER 65 Ca 0.00 2.87 -0.01 0.00 1.31 0.00 0.00 55.95 60.12 1wr1 s SER 65 Cb 0.00 -2.65 0.18 0.00 0.21 0.00 0.00 66.02 63.76 1wr1 s SER 65 CO 0.00 -1.31 0.52 0.42 0.41 0.00 0.00 173.24 173.29 1wr1 s THR 66 N -1.23 3.71 0.62 1.44 -4.23 -1.26 -0.68 115.64 114.01 1wr1 s THR 66 Ca 0.64 -3.39 0.04 0.00 -1.18 0.00 0.00 61.69 57.80 1wr1 s THR 66 Cb -0.43 -3.39 0.09 0.00 1.34 0.00 0.00 72.50 70.11 1wr1 s THR 66 CO 0.54 -0.94 0.86 -0.76 -0.54 0.00 0.00 174.62 173.77 1wr1 s LEU 67 N -0.60 3.11 0.13 4.79 2.01 -0.20 -4.97 118.68 122.95 1wr1 s LEU 67 Ca 0.21 -0.52 0.09 0.00 0.01 0.00 0.00 54.13 53.92 1wr1 s LEU 67 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.03 1wr1 s LEU 67 CO -0.07 -1.51 -0.23 -1.00 1.01 0.00 0.00 176.35 174.56 1wr1 s HIS 68 N -2.86 1.99 0.04 0.29 3.76 -1.15 -0.75 115.29 116.60 1wr1 s HIS 68 Ca 0.63 -0.41 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 1wr1 s HIS 68 Cb -0.06 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 1wr1 s HIS 68 CO 0.41 0.29 -0.12 -0.48 -0.85 0.00 0.00 174.74 173.98 1wr1 s LEU 69 N -2.12 2.91 0.04 0.89 2.34 -0.74 -1.23 118.68 120.77 1wr1 s LEU 69 Ca 0.11 -0.31 0.04 0.00 0.06 0.00 0.00 54.13 54.02 1wr1 s LEU 69 Cb -0.09 -1.70 -0.02 0.00 -0.56 0.00 0.00 46.19 43.82 1wr1 s LEU 69 CO 0.06 0.25 -0.11 0.68 -1.06 0.00 0.00 176.35 176.16 1wr1 s VAL 70 N -1.02 0.87 0.07 1.48 -7.23 -0.41 -3.80 120.40 110.37 1wr1 s VAL 70 Ca 0.17 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.48 1wr1 s VAL 70 Cb -0.11 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 1wr1 s VAL 70 CO 0.08 -0.10 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.80 1wr1 s LEU 71 N -1.16 2.50 0.64 1.32 1.02 -1.26 -0.29 118.68 121.44 1wr1 s LEU 71 Ca -0.02 -0.52 0.37 0.00 0.02 0.00 0.00 54.13 53.98 1wr1 s LEU 71 Cb -0.08 -1.44 2.09 0.00 0.02 0.00 0.00 46.19 46.78 1wr1 s LEU 71 CO 0.01 0.23 2.25 0.08 0.02 0.00 0.00 176.35 178.94 1wr1 h ARG 72 N 4.37 0.00 -0.29 1.70 0.11 -1.36 -3.02 114.38 115.89 1wr1 h ARG 72 Ca -0.48 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.64 1wr1 h ARG 72 Cb 1.16 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 1wr1 h ARG 72 CO 0.45 0.00 0.04 -0.07 0.10 0.00 0.00 179.97 180.49 1wr1 h LEU 73 N 0.00 -0.03 0.00 0.08 4.07 -1.96 -3.46 115.31 114.02 1wr1 h LEU 73 Ca 0.01 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1wr1 h LEU 73 Cb 0.17 0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1wr1 h LEU 73 CO -0.00 0.02 0.00 0.54 -1.08 0.00 0.00 178.44 177.92 1wr1 n ARG 74 N -5.11 0.00 -1.62 1.13 1.74 -1.15 -4.55 116.66 107.11 1wr1 n ARG 74 Ca -0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 1wr1 n ARG 74 Cb 0.13 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.57 1wr1 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wr1 n GLY 75 N 0.00 4.34 0.00 -0.13 0.00 -1.26 -5.10 105.19 103.04 1wr1 n GLY 75 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93