#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 1.13 0.19 2.12 -2.07 -1.26 -3.28 119.66 116.49 1wr1 s GLN 2 Ca 0.00 -1.58 -0.07 0.00 -1.82 0.00 0.00 55.36 51.89 1wr1 s GLN 2 Cb 0.00 0.25 -0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1wr1 s GLN 2 CO 0.00 -0.35 0.26 0.96 -1.32 0.00 0.00 175.29 174.84 1wr1 s ILE 3 N -4.12 0.04 0.07 3.63 -5.25 -0.29 -0.14 121.20 115.14 1wr1 s ILE 3 Ca 0.35 -1.62 0.06 0.00 -0.99 0.00 0.00 60.65 58.45 1wr1 s ILE 3 Cb 0.07 -2.14 -0.03 0.00 2.95 0.00 0.00 42.46 43.32 1wr1 s ILE 3 CO 0.09 -0.16 -0.18 -0.36 -1.79 0.00 0.00 174.94 172.55 1wr1 s PHE 4 N -4.04 1.52 -0.05 1.37 0.40 0.27 -0.55 117.98 116.90 1wr1 s PHE 4 Ca 0.25 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1wr1 s PHE 4 Cb 0.04 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.73 1wr1 s PHE 4 CO 0.06 0.11 0.03 0.08 0.70 0.00 0.00 175.22 176.19 1wr1 s VAL 5 N -1.04 0.08 -0.21 -0.44 1.01 -0.10 -0.90 120.40 118.81 1wr1 s VAL 5 Ca 0.03 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1wr1 s VAL 5 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1wr1 s VAL 5 CO 0.03 0.19 -0.06 -0.75 0.00 0.00 0.00 175.10 174.51 1wr1 s LYS 6 N 1.85 3.37 0.96 2.72 2.36 0.13 -0.28 119.74 130.86 1wr1 s LYS 6 Ca 0.02 -0.64 -0.12 0.00 -2.55 0.00 0.00 55.97 52.68 1wr1 s LYS 6 Cb -0.12 -2.94 0.17 0.00 -1.05 0.00 0.00 37.83 33.88 1wr1 s LYS 6 CO -0.03 -0.14 1.09 0.95 1.55 0.00 0.00 175.35 178.76 1wr1 s THR 7 N 1.31 2.36 0.31 3.43 -4.23 0.14 -1.33 115.64 117.63 1wr1 s THR 7 Ca 0.04 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.70 1wr1 s THR 7 Cb -0.14 -2.53 0.11 0.00 1.34 0.00 0.00 72.50 71.28 1wr1 s THR 7 CO -0.03 -0.15 1.80 -0.07 -0.54 0.00 0.00 174.62 175.63 1wr1 h LEU 8 N -1.81 0.47 -0.52 4.79 3.38 -1.90 -3.16 115.31 116.55 1wr1 h LEU 8 Ca -0.52 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.20 1wr1 h LEU 8 Cb 1.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1wr1 h LEU 8 CO 0.54 0.64 -0.14 0.74 0.09 0.00 0.00 178.44 180.31 1wr1 h THR 9 N 0.45 1.27 0.00 0.22 2.02 -1.93 -3.48 112.91 111.46 1wr1 h THR 9 Ca 0.08 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.95 1wr1 h THR 9 Cb 0.50 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1wr1 h THR 9 CO 0.03 0.46 0.00 0.61 0.37 0.00 0.00 175.52 176.99 1wr1 n GLY 10 N -0.21 -0.04 3.74 2.16 0.00 -1.19 -5.15 105.19 104.51 1wr1 n GLY 10 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 4.73 -0.30 1.61 2.47 -1.26 -4.82 119.74 122.16 1wr1 s LYS 11 Ca 0.00 1.57 -0.05 0.00 -1.56 0.00 0.00 55.97 55.93 1wr1 s LYS 11 Cb 0.00 -3.30 0.02 0.00 -1.46 0.00 0.00 37.83 33.10 1wr1 s LYS 11 CO 0.00 0.29 0.06 0.99 0.16 0.00 0.00 175.35 176.85 1wr1 s THR 12 N -0.63 3.65 0.45 3.43 2.01 -1.26 -0.69 115.64 122.60 1wr1 s THR 12 Ca 0.45 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1wr1 s THR 12 Cb -0.27 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.23 1wr1 s THR 12 CO 0.33 0.01 0.82 -0.63 -0.69 0.00 0.00 174.62 174.46 1wr1 s ILE 13 N 1.42 4.76 -0.03 1.82 -1.09 0.62 -4.93 121.20 123.77 1wr1 s ILE 13 Ca 0.00 0.66 0.02 0.00 -2.23 0.00 0.00 60.65 59.10 1wr1 s ILE 13 Cb -0.18 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1wr1 s ILE 13 CO 0.01 -0.65 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.11 1wr1 s THR 14 N -2.53 0.69 0.08 2.92 2.01 -1.26 -0.92 115.64 116.62 1wr1 s THR 14 Ca 0.52 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.26 1wr1 s THR 14 Cb -0.10 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1wr1 s THR 14 CO 0.35 0.23 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.66 1wr1 s LEU 15 N 0.36 2.36 -0.42 4.42 1.43 0.29 -4.99 118.68 122.12 1wr1 s LEU 15 Ca -0.05 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.28 1wr1 s LEU 15 Cb -0.10 -0.24 0.11 0.00 0.03 0.00 0.00 46.19 45.99 1wr1 s LEU 15 CO 0.00 -0.25 0.23 -0.70 0.23 0.00 0.00 176.35 175.86 1wr1 s GLU 16 N -2.42 2.09 0.45 1.70 2.12 -1.26 -1.13 118.70 120.24 1wr1 s GLU 16 Ca 0.00 -1.80 0.03 0.00 0.36 0.00 0.00 54.97 53.56 1wr1 s GLU 16 Cb -0.05 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1wr1 s GLU 16 CO -0.00 -1.09 0.11 0.14 -0.54 0.00 0.00 175.26 173.88 1wr1 s VAL 17 N 1.18 0.63 0.27 3.70 -7.23 -1.21 -5.00 120.40 112.75 1wr1 s VAL 17 Ca 0.08 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.35 1wr1 s VAL 17 Cb -0.23 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1wr1 s VAL 17 CO -0.04 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.99 1wr1 s GLU 18 N -3.71 1.61 0.66 4.82 2.02 -1.26 -4.18 118.70 118.66 1wr1 s GLU 18 Ca 0.17 -1.75 0.35 0.00 0.02 0.00 0.00 54.97 53.76 1wr1 s GLU 18 Cb 0.01 -1.55 1.89 0.00 0.10 0.00 0.00 34.13 34.58 1wr1 s GLU 18 CO 0.12 0.24 2.07 0.77 0.02 0.00 0.00 175.26 178.48 1wr1 h SER 19 N 2.30 0.00 0.13 -0.19 0.02 -1.97 -0.94 113.55 112.91 1wr1 h SER 19 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 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 0.63 0.00 -0.61 -1.20 -1.14 0.00 0.00 176.83 174.51 1wr1 n SER 20 N -3.00 1.22 -4.77 3.07 7.64 -1.26 -1.50 113.62 115.02 1wr1 n SER 20 Ca -0.02 -1.00 -0.41 0.00 1.01 0.00 0.00 58.87 58.46 1wr1 n SER 20 Cb 0.28 0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 64.01 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 -2.75 6.56 0.70 6.43 1.01 -0.36 -4.86 116.67 123.41 1wr1 s ASP 21 Ca 0.15 2.86 -0.11 0.00 0.71 0.00 0.00 52.55 56.16 1wr1 s ASP 21 Cb 0.18 -2.66 0.01 0.00 1.01 0.00 0.00 42.92 41.46 1wr1 s ASP 21 CO 0.68 -0.70 1.06 0.42 0.21 0.00 0.00 175.17 176.84 1wr1 s THR 22 N -1.09 3.95 0.20 -1.27 -4.23 -1.26 -2.19 115.64 109.75 1wr1 s THR 22 Ca 0.51 0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 61.55 1wr1 s THR 22 Cb -0.43 -3.43 0.13 0.00 1.34 0.00 0.00 72.50 70.11 1wr1 s THR 22 CO 0.57 -0.83 1.82 0.40 -0.54 0.00 0.00 174.62 176.05 1wr1 h ILE 23 N -0.71 1.01 -0.77 2.99 1.08 -0.95 -0.81 117.51 119.35 1wr1 h ILE 23 Ca -0.44 -0.24 0.15 0.00 -0.39 0.00 0.00 64.86 63.93 1wr1 h ILE 23 Cb 1.22 0.24 -0.10 0.00 -3.07 0.00 0.00 36.82 35.11 1wr1 h ILE 23 CO 0.59 0.13 0.30 -0.78 -0.69 0.00 0.00 178.15 177.69 1wr1 h ASP 24 N 0.71 0.25 0.22 1.72 3.58 -1.55 -0.86 116.42 120.50 1wr1 h ASP 24 Ca 0.28 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1wr1 h ASP 24 Cb 0.12 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1wr1 h ASP 24 CO -0.15 0.08 -0.11 0.78 -2.88 0.00 0.00 179.24 176.96 1wr1 h ASN 25 N 0.42 -0.25 0.16 2.28 2.35 -1.69 -2.84 115.58 116.00 1wr1 h ASN 25 Ca 0.43 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1wr1 h ASN 25 Cb 0.69 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1wr1 h ASN 25 CO -0.43 -0.01 -0.20 0.58 -1.65 0.00 0.00 177.43 175.71 1wr1 h VAL 26 N -0.50 0.55 -0.55 2.81 2.07 -0.45 -1.21 116.25 118.97 1wr1 h VAL 26 Ca -0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1wr1 h VAL 26 Cb 0.38 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1wr1 h VAL 26 CO 0.05 0.00 0.36 0.07 0.02 0.00 0.00 177.57 178.07 1wr1 h LYS 27 N -0.41 0.54 0.00 1.57 2.10 -1.30 -0.40 116.57 118.66 1wr1 h LYS 27 Ca 0.01 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1wr1 h LYS 27 Cb 0.41 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1wr1 h LYS 27 CO -0.08 0.36 0.00 1.03 -2.00 0.00 0.00 179.45 178.75 1wr1 h SER 28 N 0.55 0.00 1.02 7.07 0.87 -1.06 -3.12 113.55 118.88 1wr1 h SER 28 Ca 0.23 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.59 1wr1 h SER 28 Cb 0.22 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1wr1 h SER 28 CO -0.06 0.00 -0.98 0.11 -0.53 0.00 0.00 176.83 175.36 1wr1 h LYS 29 N 0.00 0.00 -0.86 2.24 1.79 0.08 -3.11 116.57 116.71 1wr1 h LYS 29 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1wr1 h LYS 29 Cb 0.39 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 1wr1 h LYS 29 CO 0.00 0.95 0.56 0.82 -1.08 0.00 0.00 179.45 180.70 1wr1 h ILE 30 N 0.00 0.91 0.00 1.86 5.03 -1.53 -1.67 117.51 122.11 1wr1 h ILE 30 Ca -0.02 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1wr1 h ILE 30 Cb 1.75 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 35.62 1wr1 h ILE 30 CO 0.12 0.14 0.00 -0.61 -0.68 0.00 0.00 178.15 177.12 1wr1 h GLN 31 N 0.77 0.00 0.00 2.37 4.15 -1.66 -0.55 115.11 120.19 1wr1 h GLN 31 Ca 0.41 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.70 1wr1 h GLN 31 Cb 0.53 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 1wr1 h GLN 31 CO -0.18 0.00 -0.64 0.22 -1.93 0.00 0.00 178.83 176.30 1wr1 h ASP 32 N 0.00 0.00 0.01 -0.69 3.58 -1.44 -3.17 116.42 114.71 1wr1 h ASP 32 Ca 0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1wr1 h ASP 32 Cb 0.13 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 1wr1 h ASP 32 CO 0.00 0.64 -1.62 0.29 -2.88 0.00 0.00 179.24 175.68 1wr1 n LYS 33 N -3.31 0.59 0.00 0.28 4.76 -0.29 -4.83 118.16 115.37 1wr1 n LYS 33 Ca 0.01 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 1wr1 n LYS 33 Cb 0.77 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 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 -4.28 4.15 0.00 1.97 -0.58 -0.75 -5.08 120.64 116.07 1wr1 n GLU 34 Ca -0.37 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 1wr1 n GLU 34 Cb 0.76 -0.65 0.00 0.00 -0.57 0.00 0.00 31.44 30.98 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 0.76 1.05 3.64 0.62 0.00 -1.17 -5.01 105.19 105.08 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 3.18 0.02 -0.61 -1.09 -1.26 -4.80 121.20 114.65 1wr1 s ILE 36 Ca 0.00 0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.33 1wr1 s ILE 36 Cb 0.00 -3.17 -0.07 0.00 -1.58 0.00 0.00 42.46 37.64 1wr1 s ILE 36 CO 0.00 -0.06 1.60 -2.16 -1.23 0.00 0.00 174.94 173.09 1wr1 s PRO 37 N 5.00 4.21 0.24 2.79 0.04 -1.26 -3.92 135.00 142.10 1wr1 s PRO 37 Ca 0.88 2.21 0.20 0.00 0.04 0.00 0.00 61.00 64.33 1wr1 s PRO 37 Cb -0.36 -3.70 0.95 0.00 0.04 0.00 0.00 34.50 31.43 1wr1 s PRO 37 CO 0.37 -0.73 1.62 -0.35 0.04 0.00 0.00 177.00 177.94 1wr1 n PRO 38 N 5.96 0.14 0.20 0.56 -0.04 -1.26 -1.24 135.00 139.32 1wr1 n PRO 38 Ca 0.16 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 64.21 1wr1 n PRO 38 Cb 0.42 -1.85 0.13 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.00 0.11 3.54 3.58 -1.96 -3.35 116.42 118.35 1wr1 h ASP 39 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wr1 h ASP 39 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1wr1 h ASP 39 CO 0.00 0.14 -1.47 0.00 -2.88 0.00 0.00 179.24 175.03 1wr1 n GLN 40 N -3.13 0.38 -4.10 0.28 6.02 -0.37 -4.98 117.38 111.48 1wr1 n GLN 40 Ca 0.03 -0.09 -0.22 0.00 -0.01 0.00 0.00 57.00 56.71 1wr1 n GLN 40 Cb 0.59 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 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 -3.29 2.69 0.21 -1.09 -2.07 -1.11 -0.73 119.66 114.27 1wr1 s GLN 41 Ca -0.00 -1.23 0.04 0.00 -1.82 0.00 0.00 55.36 52.34 1wr1 s GLN 41 Cb 0.15 -2.42 -0.05 0.00 -1.09 0.00 0.00 33.01 29.60 1wr1 s GLN 41 CO 0.87 0.30 -0.04 1.03 -1.32 0.00 0.00 175.29 176.14 1wr1 s ARG 42 N -3.84 1.26 0.04 9.60 3.00 0.01 -4.91 118.95 124.12 1wr1 s ARG 42 Ca 0.35 -1.61 0.04 0.00 0.00 0.00 0.00 55.73 54.50 1wr1 s ARG 42 Cb -0.07 -0.65 -0.04 0.00 0.00 0.00 0.00 34.95 34.20 1wr1 s ARG 42 CO 0.24 -0.03 -0.04 -0.51 0.00 0.00 0.00 175.30 174.95 1wr1 s LEU 43 N -3.27 3.30 -0.11 2.53 1.43 -1.26 -1.29 118.68 120.01 1wr1 s LEU 43 Ca 0.25 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1wr1 s LEU 43 Cb 0.04 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1wr1 s LEU 43 CO 0.06 0.23 -0.06 -0.63 0.23 0.00 0.00 176.35 176.19 1wr1 s ILE 44 N -1.14 0.90 0.00 -0.59 -1.09 -0.25 -0.86 121.20 118.19 1wr1 s ILE 44 Ca 0.21 -0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1wr1 s ILE 44 Cb -0.11 -0.96 -0.01 0.00 -1.58 0.00 0.00 42.46 39.80 1wr1 s ILE 44 CO 0.12 0.34 0.05 0.12 -1.23 0.00 0.00 174.94 174.34 1wr1 s PHE 45 N 1.76 0.12 -0.87 3.97 5.36 -0.58 -2.57 117.98 125.15 1wr1 s PHE 45 Ca 0.05 -0.25 -0.06 0.00 -0.96 0.00 0.00 56.93 55.71 1wr1 s PHE 45 Cb -0.13 -0.10 0.06 0.00 -0.34 0.00 0.00 43.02 42.52 1wr1 s PHE 45 CO -0.08 -0.19 0.24 0.00 -1.46 0.00 0.00 175.22 173.73 1wr1 n ALA 46 N 1.85 -1.01 -1.04 11.12 0.00 -1.26 -0.77 120.51 129.39 1wr1 n ALA 46 Ca -0.21 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1wr1 n ALA 46 Cb 0.56 -1.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.85 0.52 3.22 0.00 0.00 -1.26 -5.05 105.19 101.77 1wr1 n GLY 47 Ca -0.01 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.49 2.28 -0.25 1.61 2.47 0.05 -5.12 119.74 119.30 1wr1 s LYS 48 Ca 0.00 -0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 53.32 1wr1 s LYS 48 Cb 0.00 -1.95 0.00 0.00 -1.46 0.00 0.00 37.83 34.42 1wr1 s LYS 48 CO 0.00 0.34 1.18 -1.14 0.16 0.00 0.00 175.35 175.89 1wr1 s GLN 49 N -0.10 4.12 0.12 4.03 0.74 -1.26 -1.53 119.66 125.77 1wr1 s GLN 49 Ca -0.04 1.35 -0.29 0.00 0.05 0.00 0.00 55.36 56.43 1wr1 s GLN 49 Cb -0.13 -3.76 -0.06 0.00 1.10 0.00 0.00 33.01 30.16 1wr1 s GLN 49 CO 0.03 -0.84 0.92 -0.51 -0.55 0.00 0.00 175.29 174.34 1wr1 s LEU 50 N 3.70 4.51 0.13 3.68 1.43 -0.04 -5.01 118.68 127.08 1wr1 s LEU 50 Ca 0.51 1.75 -0.22 0.00 -1.03 0.00 0.00 54.13 55.14 1wr1 s LEU 50 Cb -0.17 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 1wr1 s LEU 50 CO 0.15 -0.02 0.67 -0.70 0.23 0.00 0.00 176.35 176.68 1wr1 s GLU 51 N -0.17 4.37 0.30 1.70 2.12 -1.26 -4.52 118.70 121.24 1wr1 s GLU 51 Ca 0.45 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.71 1wr1 s GLU 51 Cb -0.23 -3.21 0.51 0.00 0.26 0.00 0.00 34.13 31.46 1wr1 s GLU 51 CO 0.29 0.59 1.92 -0.44 -0.54 0.00 0.00 175.26 177.08 1wr1 h ASP 52 N 4.32 0.92 0.38 -1.70 5.19 -1.96 -2.34 116.42 121.23 1wr1 h ASP 52 Ca -0.48 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1wr1 h ASP 52 Cb 1.21 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1wr1 h ASP 52 CO 0.65 0.61 -0.01 0.61 -3.12 0.00 0.00 179.24 177.97 1wr1 n GLY 53 N -1.40 -1.14 3.85 2.75 0.00 -1.26 -1.57 105.19 106.41 1wr1 n GLY 53 Ca 0.13 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.39 1.49 0.42 1.61 1.81 -0.88 -4.88 118.95 116.13 1wr1 s ARG 54 Ca 0.34 0.17 0.08 0.00 -1.72 0.00 0.00 55.73 54.59 1wr1 s ARG 54 Cb 0.21 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.79 1wr1 s ARG 54 CO 0.44 -1.93 0.32 0.95 -0.68 0.00 0.00 175.30 174.39 1wr1 s THR 55 N -3.45 2.53 0.20 0.02 -4.23 -1.26 -0.74 115.64 108.71 1wr1 s THR 55 Ca 0.63 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.58 1wr1 s THR 55 Cb -0.12 -2.99 0.14 0.00 1.34 0.00 0.00 72.50 70.87 1wr1 s THR 55 CO 0.51 0.00 1.87 -0.07 -0.54 0.00 0.00 174.62 176.39 1wr1 h LEU 56 N 1.15 0.84 -1.80 4.79 3.38 -1.45 -2.76 115.31 119.46 1wr1 h LEU 56 Ca -0.42 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.60 1wr1 h LEU 56 Cb 1.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1wr1 h LEU 56 CO 0.61 0.62 0.30 -1.28 0.09 0.00 0.00 178.44 178.79 1wr1 h SER 57 N 0.98 0.21 -0.61 -0.43 0.87 -1.53 -1.83 113.55 111.21 1wr1 h SER 57 Ca 0.26 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1wr1 h SER 57 Cb -0.10 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.79 1wr1 h SER 57 CO -0.06 0.13 0.41 -0.78 -0.53 0.00 0.00 176.83 176.00 1wr1 h ASP 58 N 0.23 0.59 -0.62 6.23 3.58 -1.78 -1.49 116.42 123.18 1wr1 h ASP 58 Ca 0.20 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1wr1 h ASP 58 Cb 0.50 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1wr1 h ASP 58 CO -0.04 0.40 0.00 -1.22 -2.88 0.00 0.00 179.24 175.51 1wr1 n TYR 59 N -4.47 1.14 -2.61 0.28 4.01 -0.97 -4.96 117.16 109.58 1wr1 n TYR 59 Ca 0.08 -0.57 -0.18 0.00 -0.16 0.00 0.00 57.90 57.07 1wr1 n TYR 59 Cb 0.16 -0.13 -0.00 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.13 -4.92 -4.67 7.72 5.15 -0.56 -4.94 115.26 114.17 1wr1 n ASN 60 Ca 0.23 -0.01 -0.46 0.00 -0.60 0.00 0.00 54.58 53.74 1wr1 n ASN 60 Cb 0.73 -4.10 -0.04 0.00 -0.53 0.00 0.00 39.78 35.84 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 -3.83 0.01 -3.37 -1.44 2.08 -0.73 -4.98 119.36 107.10 1wr1 n ILE 61 Ca -0.16 -0.00 -0.20 0.00 0.56 0.00 0.00 62.75 62.94 1wr1 n ILE 61 Cb 0.63 -1.51 -0.01 0.00 -0.75 0.00 0.00 39.64 38.01 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 0.96 2.56 0.63 0.38 -1.52 -1.26 -4.64 119.66 116.77 1wr1 s GLN 62 Ca 0.79 -1.51 -0.18 0.00 -1.95 0.00 0.00 55.36 52.51 1wr1 s GLN 62 Cb -0.69 -2.49 -0.02 0.00 -0.22 0.00 0.00 33.01 29.59 1wr1 s GLN 62 CO 0.39 -0.34 1.27 -1.59 -0.25 0.00 0.00 175.29 174.77 1wr1 s LYS 63 N -4.27 2.69 -1.24 2.91 0.00 -1.26 -2.87 119.74 115.70 1wr1 s LYS 63 Ca 0.50 2.00 0.00 0.00 0.00 0.00 0.00 55.97 58.47 1wr1 s LYS 63 Cb -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 37.83 35.90 1wr1 s LYS 63 CO 0.30 -1.48 0.00 0.39 0.00 0.00 0.00 175.35 174.57 1wr1 n GLU 64 N -1.79 -1.44 -1.89 1.78 1.02 0.81 -4.93 120.64 114.20 1wr1 n GLU 64 Ca 0.15 0.69 -0.37 0.00 -0.02 0.00 0.00 57.16 57.62 1wr1 n GLU 64 Cb 0.48 -4.98 0.05 0.00 -0.02 0.00 0.00 31.44 26.97 1wr1 n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wr1 s SER 65 N -2.02 4.94 -0.58 1.62 0.15 -1.14 -4.72 113.70 111.95 1wr1 s SER 65 Ca 0.00 2.51 0.03 0.00 0.70 0.00 0.00 55.95 59.19 1wr1 s SER 65 Cb 0.00 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 61.85 1wr1 s SER 65 CO 0.00 -1.77 0.35 0.42 1.20 0.00 0.00 173.24 173.44 1wr1 s THR 66 N -1.49 2.92 0.59 6.45 -4.23 -1.26 -0.57 115.64 118.05 1wr1 s THR 66 Ca 0.79 -3.44 0.03 0.00 -1.18 0.00 0.00 61.69 57.90 1wr1 s THR 66 Cb -0.34 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.60 1wr1 s THR 66 CO 0.37 -0.86 0.82 -0.76 -0.54 0.00 0.00 174.62 173.64 1wr1 s LEU 67 N -0.49 3.21 0.12 4.79 2.01 -0.07 -4.97 118.68 123.27 1wr1 s LEU 67 Ca 0.19 -0.35 0.10 0.00 0.01 0.00 0.00 54.13 54.08 1wr1 s LEU 67 Cb -0.21 -2.31 -0.04 0.00 0.01 0.00 0.00 46.19 43.64 1wr1 s LEU 67 CO -0.04 -1.35 -0.26 -1.00 1.01 0.00 0.00 176.35 174.72 1wr1 s HIS 68 N -2.80 2.20 0.04 0.29 3.76 -1.06 -0.69 115.29 117.04 1wr1 s HIS 68 Ca 0.61 -0.39 0.07 0.00 -0.15 0.00 0.00 55.06 55.19 1wr1 s HIS 68 Cb -0.08 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 1wr1 s HIS 68 CO 0.40 0.30 -0.16 -0.48 -0.85 0.00 0.00 174.74 173.94 1wr1 s LEU 69 N -1.96 2.71 -0.04 0.89 2.34 -0.44 -1.09 118.68 121.09 1wr1 s LEU 69 Ca 0.12 -0.39 0.02 0.00 0.06 0.00 0.00 54.13 53.94 1wr1 s LEU 69 Cb -0.10 -1.58 0.01 0.00 -0.56 0.00 0.00 46.19 43.96 1wr1 s LEU 69 CO 0.05 0.25 -0.09 0.68 -1.06 0.00 0.00 176.35 176.19 1wr1 s VAL 70 N -0.96 0.80 -0.18 1.48 -7.23 -0.41 -3.41 120.40 110.49 1wr1 s VAL 70 Ca 0.15 -0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 59.91 1wr1 s VAL 70 Cb -0.11 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 1wr1 s VAL 70 CO 0.06 0.26 0.09 -0.76 -0.31 0.00 0.00 175.10 174.45 1wr1 s LEU 71 N 0.46 4.02 0.00 1.32 2.01 -1.26 -0.81 118.68 124.42 1wr1 s LEU 71 Ca -0.08 0.18 0.26 0.00 0.01 0.00 0.00 54.13 54.50 1wr1 s LEU 71 Cb -0.11 -2.02 1.20 0.00 0.01 0.00 0.00 46.19 45.26 1wr1 s LEU 71 CO 0.01 0.21 1.85 -2.11 1.01 0.00 0.00 176.35 177.32 1wr1 n ARG 72 N 3.34 0.16 0.30 1.70 1.85 0.09 -4.32 116.66 119.77 1wr1 n ARG 72 Ca -0.17 0.05 0.20 0.00 -1.00 0.00 0.00 57.85 56.94 1wr1 n ARG 72 Cb 0.52 -1.50 1.06 0.00 -1.05 0.00 0.00 32.46 31.50 1wr1 n ARG 72 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1wr1 h LEU 73 N 0.00 0.00 -2.42 2.89 4.07 -1.96 -1.41 115.31 116.48 1wr1 h LEU 73 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1wr1 h LEU 73 Cb 0.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1wr1 h LEU 73 CO 0.00 0.00 0.00 0.08 -1.08 0.00 0.00 178.44 177.44 1wr1 h ARG 74 N 0.00 0.00 -7.52 1.13 0.11 -2.00 -3.45 114.38 102.65 1wr1 h ARG 74 Ca 0.00 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.63 1wr1 h ARG 74 Cb 0.06 0.00 0.14 0.00 1.11 0.00 0.00 29.97 31.28 1wr1 h ARG 74 CO 0.00 0.00 0.30 0.20 0.10 0.00 0.00 179.97 180.57 1wr1 s GLY 75 N -4.09 1.60 0.00 0.08 0.00 -0.53 -5.28 107.32 99.09 1wr1 s GLY 75 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1wr1 s GLY 75 CO 0.43 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 174.10