#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s HIS 3 N 0.00 1.75 0.00 2.89 3.76 -1.26 -4.75 115.29 117.68 2wrl s HIS 3 Ca 0.00 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 2wrl s HIS 3 Cb 0.00 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.83 2wrl s HIS 3 CO 0.00 0.33 0.00 -0.11 -0.85 0.00 0.00 174.74 174.11 2wrl n LEU 4 N -0.42 0.00 0.00 0.89 -0.00 -1.26 -4.90 117.00 111.31 2wrl n LEU 4 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2wrl n LEU 4 Cb 0.61 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2wrl n LEU 4 CO 0.36 0.00 0.44 0.29 -0.00 0.00 0.00 177.39 178.48 2wrl n LYS 5 N -2.09 0.00 -2.05 1.96 4.01 -1.26 -4.43 118.16 114.30 2wrl n LYS 5 Ca 0.00 0.36 -0.03 0.00 -0.51 0.00 0.00 58.31 58.13 2wrl n LYS 5 Cb 0.00 -1.53 -0.00 0.00 -0.51 0.00 0.00 35.03 32.98 2wrl n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2wrl n SER 6 N -1.36 1.69 -2.09 4.39 3.41 -1.26 -5.18 113.62 113.23 2wrl n SER 6 Ca 0.00 -1.24 -0.09 0.00 -0.26 0.00 0.00 58.87 57.28 2wrl n SER 6 Cb 0.03 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 2wrl n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrl n GLY 7 N 4.26 3.42 0.00 5.00 0.00 -1.26 -5.06 105.19 111.54 2wrl n GLY 7 Ca -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2wrl n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl n ARG 8 N -0.31 0.00 -1.90 1.61 3.00 -1.26 -5.09 116.66 112.71 2wrl n ARG 8 Ca 0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.49 2wrl n ARG 8 Cb 0.30 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.78 2wrl n ARG 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2wrl s LYS 9 N -0.19 3.33 -0.29 5.56 -2.85 -1.26 -5.04 119.74 119.01 2wrl s LYS 9 Ca 0.00 2.13 -0.16 0.00 -1.00 0.00 0.00 55.97 56.94 2wrl s LYS 9 Cb 0.00 -2.32 0.12 0.00 -2.06 0.00 0.00 37.83 33.57 2wrl s LYS 9 CO 0.00 -1.01 0.86 -0.51 0.10 0.00 0.00 175.35 174.79 2wrl s LEU 10 N -3.35 -0.70 0.44 2.77 1.43 -1.26 -5.10 118.68 112.92 2wrl s LEU 10 Ca 0.69 1.10 0.04 0.00 -1.03 0.00 0.00 54.13 54.93 2wrl s LEU 10 Cb -0.38 2.00 -0.05 0.00 0.03 0.00 0.00 46.19 47.79 2wrl s LEU 10 CO 0.45 -0.17 0.02 0.21 0.23 0.00 0.00 176.35 177.09 2wrl s ASN 11 N 1.56 3.70 0.07 2.29 3.84 -1.26 -5.04 114.94 120.10 2wrl s ASN 11 Ca -0.09 -1.51 0.00 0.00 0.21 0.00 0.00 52.86 51.47 2wrl s ASN 11 Cb -0.05 0.07 0.00 0.00 -0.55 0.00 0.00 41.25 40.73 2wrl s ASN 11 CO -0.17 -0.67 0.00 0.54 -2.79 0.00 0.00 177.10 174.01 2wrl n ARG 12 N -1.04 0.00 -3.69 0.43 1.74 -1.26 -4.64 116.66 108.20 2wrl n ARG 12 Ca -0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.83 2wrl n ARG 12 Cb 0.67 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.03 2wrl n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wrl s HIS 13 N 0.00 -0.40 0.00 -1.55 -3.43 -1.26 -4.93 115.29 103.73 2wrl s HIS 13 Ca 0.00 0.77 0.00 0.00 -0.80 0.00 0.00 55.06 55.03 2wrl s HIS 13 Cb 0.00 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.35 2wrl s HIS 13 CO 0.00 -0.40 0.00 0.45 -2.00 0.00 0.00 174.74 172.79 2wrl n SER 14 N 1.65 0.00 -0.04 7.38 2.88 -1.26 -0.07 113.62 124.15 2wrl n SER 14 Ca -0.19 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 2wrl n SER 14 Cb 0.56 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.95 2wrl n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2wrl h SER 15 N 0.00 0.25 0.02 -3.46 4.64 -1.99 -2.74 113.55 110.27 2wrl h SER 15 Ca 0.00 -0.40 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2wrl h SER 15 Cb 0.00 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2wrl h SER 15 CO 0.00 0.59 -0.01 -0.74 -0.87 0.00 0.00 176.83 175.81 2wrl h HIS 16 N -0.09 0.00 0.02 4.77 -0.00 -0.90 0.77 115.15 119.73 2wrl h HIS 16 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.23 2wrl h HIS 16 Cb 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.92 2wrl h HIS 16 CO 0.06 0.01 -0.67 -0.09 -0.00 0.00 0.00 177.93 177.23 2wrl h ARG 17 N 0.00 0.41 0.19 5.26 2.43 -1.00 -3.20 114.38 118.48 2wrl h ARG 17 Ca -0.00 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2wrl h ARG 17 Cb 0.02 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2wrl h ARG 17 CO 0.00 1.14 -0.09 1.25 -1.51 0.00 0.00 179.97 180.76 2wrl h LEU 18 N -0.11 -0.22 -0.18 3.80 6.46 -1.05 -2.78 115.31 121.24 2wrl h LEU 18 Ca -0.09 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.38 2wrl h LEU 18 Cb 1.40 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 2wrl h LEU 18 CO 0.13 0.22 0.18 0.00 -0.62 0.00 0.00 178.44 178.35 2wrl n ALA 19 N -2.46 0.67 0.01 1.25 0.00 0.19 0.24 120.51 120.41 2wrl n ALA 19 Ca -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 2wrl n ALA 19 Cb 0.26 -0.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 2wrl n ALA 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wrl h LEU 20 N 0.00 -0.12 -1.98 0.00 5.85 -1.48 -2.98 115.31 114.59 2wrl h LEU 20 Ca 0.00 -0.06 0.29 0.00 0.84 0.00 0.00 57.88 58.95 2wrl h LEU 20 Cb 0.36 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2wrl h LEU 20 CO 0.00 0.39 0.72 1.88 -0.34 0.00 0.00 178.44 181.09 2wrl h TYR 21 N -1.03 0.02 0.00 1.25 0.99 -0.14 0.14 116.97 118.20 2wrl h TYR 21 Ca -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 2wrl h TYR 21 Cb 0.17 -0.01 -0.00 0.00 1.00 0.00 0.00 36.73 37.89 2wrl h TYR 21 CO 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 178.16 177.75 2wrl h ARG 22 N 0.01 0.00 -0.01 4.88 3.08 -1.47 -2.62 114.38 118.26 2wrl h ARG 22 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.53 2wrl h ARG 22 Cb 1.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.95 2wrl h ARG 22 CO -0.01 0.06 -0.42 0.09 -1.07 0.00 0.00 179.97 178.62 2wrl n ASN 23 N -2.97 1.17 -0.10 7.04 5.03 0.42 -2.66 115.26 123.19 2wrl n ASN 23 Ca 0.02 -0.94 0.07 0.00 0.87 0.00 0.00 54.58 54.60 2wrl n ASN 23 Cb 0.57 0.31 -0.06 0.00 -1.02 0.00 0.00 39.78 39.59 2wrl n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wrl n GLN 24 N -0.73 2.09 -0.06 3.52 6.02 -0.81 -2.97 117.38 124.44 2wrl n GLN 24 Ca 0.10 -0.23 -0.22 0.00 -0.01 0.00 0.00 57.00 56.63 2wrl n GLN 24 Cb 0.37 -1.20 -0.12 0.00 1.02 0.00 0.00 30.24 30.31 2wrl n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrl n ALA 25 N -0.98 0.83 -0.14 -1.58 0.00 -0.99 -2.83 120.51 114.83 2wrl n ALA 25 Ca 0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 2wrl n ALA 25 Cb 0.25 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 2wrl n ALA 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrl h LYS 26 N -0.60 0.61 0.54 0.00 1.57 -1.69 0.17 116.57 117.16 2wrl h LYS 26 Ca -0.39 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 2wrl h LYS 26 Cb 1.59 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 2wrl h LYS 26 CO -0.11 0.59 -0.31 0.77 -0.57 0.00 0.00 179.45 179.81 2wrl h SER 27 N 0.50 -0.78 -0.29 0.86 0.02 -1.69 -3.04 113.55 109.13 2wrl h SER 27 Ca 0.13 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2wrl h SER 27 Cb 0.22 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2wrl h SER 27 CO -0.01 -0.50 0.19 0.25 -1.14 0.00 0.00 176.83 175.62 2wrl h LEU 28 N -0.80 0.33 -0.00 5.07 6.46 -1.41 -2.37 115.31 122.59 2wrl h LEU 28 Ca -0.07 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2wrl h LEU 28 Cb 0.65 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2wrl h LEU 28 CO 0.08 0.24 0.00 0.18 -0.62 0.00 0.00 178.44 178.32 2wrl n LEU 29 N -4.89 0.00 -2.04 2.25 4.32 0.58 -0.59 117.00 116.63 2wrl n LEU 29 Ca -0.01 -0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.98 2wrl n LEU 29 Cb 0.03 -0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.86 2wrl n LEU 29 CO 0.34 0.00 0.12 0.41 -1.22 0.00 0.00 177.39 177.04 2wrl n THR 30 N -0.50 0.47 -0.85 -5.08 -1.04 -0.91 -4.74 114.28 101.63 2wrl n THR 30 Ca 0.00 -1.60 0.00 0.00 -2.04 0.00 0.00 64.05 60.41 2wrl n THR 30 Cb 0.00 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 2wrl n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wrl n HIS 31 N -0.14 0.00 0.00 -1.42 8.25 -1.02 -4.99 115.22 115.90 2wrl n HIS 31 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2wrl n HIS 31 Cb 0.95 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 2wrl n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrl n GLY 32 N 0.00 0.62 3.04 -1.41 0.00 0.25 -4.76 105.19 102.92 2wrl n GLY 32 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2wrl n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrl s ARG 33 N 0.00 0.79 0.07 1.61 0.52 -1.26 -1.32 118.95 119.36 2wrl s ARG 33 Ca 0.00 -0.35 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 2wrl s ARG 33 Cb 0.00 -0.76 -0.03 0.00 0.52 0.00 0.00 34.95 34.68 2wrl s ARG 33 CO 0.00 0.21 -0.13 0.42 0.02 0.00 0.00 175.30 175.82 2wrl s ILE 34 N -0.24 1.00 -0.20 1.52 -1.09 0.09 -4.90 121.20 117.39 2wrl s ILE 34 Ca 0.04 -1.28 0.01 0.00 -2.23 0.00 0.00 60.65 57.19 2wrl s ILE 34 Cb -0.04 -1.00 0.04 0.00 -1.58 0.00 0.00 42.46 39.89 2wrl s ILE 34 CO -0.00 -0.26 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.44 2wrl s THR 35 N -1.33 1.67 0.00 2.92 2.01 -1.26 -1.53 115.64 118.12 2wrl s THR 35 Ca -0.03 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.95 2wrl s THR 35 Cb -0.10 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.68 2wrl s THR 35 CO 0.02 0.19 0.00 0.35 -0.69 0.00 0.00 174.62 174.49 2wrl n THR 36 N 4.68 0.00 -2.95 -0.82 -2.24 -1.17 -4.96 114.28 106.82 2wrl n THR 36 Ca -0.15 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 2wrl n THR 36 Cb 0.47 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.66 2wrl n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wrl s THR 37 N 0.30 4.80 0.13 4.28 -4.23 -1.26 0.57 115.64 120.24 2wrl s THR 37 Ca 0.00 0.59 -0.32 0.00 -1.18 0.00 0.00 61.69 60.79 2wrl s THR 37 Cb 0.00 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 70.04 2wrl s THR 37 CO 0.00 -0.45 1.56 0.58 -0.54 0.00 0.00 174.62 175.76 2wrl h VAL 38 N 1.23 0.03 -0.13 2.29 2.07 -1.67 -2.82 116.25 117.25 2wrl h VAL 38 Ca -0.47 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.09 2wrl h VAL 38 Cb 1.19 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 2wrl h VAL 38 CO 0.64 0.00 -0.42 -0.65 0.02 0.00 0.00 177.57 177.16 2wrl h PRO 39 N -0.41 -0.47 -0.66 1.57 0.11 -1.94 -0.30 132.00 129.89 2wrl h PRO 39 Ca 0.08 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.37 2wrl h PRO 39 Cb 0.61 0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.71 2wrl h PRO 39 CO -0.57 -0.32 -0.01 0.87 -0.21 0.00 0.00 178.00 177.76 2wrl h LYS 40 N -0.49 0.10 0.87 1.05 1.57 -1.93 -1.12 116.57 116.62 2wrl h LYS 40 Ca 0.07 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2wrl h LYS 40 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wrl h LYS 40 CO -0.40 0.07 -0.47 0.00 -0.57 0.00 0.00 179.45 178.08 2wrl h ALA 41 N 1.61 -1.26 0.00 3.86 0.00 -1.18 0.43 119.26 122.71 2wrl h ALA 41 Ca 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wrl h ALA 41 Cb 0.58 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wrl h ALA 41 CO -0.58 -1.22 0.49 0.87 0.00 0.00 0.00 179.25 178.81 2wrl h LYS 42 N -1.24 0.00 0.00 0.00 1.57 -0.01 0.92 116.57 117.82 2wrl h LYS 42 Ca -0.12 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.23 2wrl h LYS 42 Cb 0.97 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.21 2wrl h LYS 42 CO 0.16 0.00 -2.48 -1.91 -0.57 0.00 0.00 179.45 174.65 2wrl n GLU 43 N -2.03 0.58 -0.30 3.15 4.07 -0.36 -4.56 120.64 121.20 2wrl n GLU 43 Ca -0.01 0.22 0.11 0.00 -0.06 0.00 0.00 57.16 57.43 2wrl n GLU 43 Cb 0.50 -1.46 0.35 0.00 -0.06 0.00 0.00 31.44 30.77 2wrl n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wrl h LEU 44 N -0.69 0.72 0.00 4.31 7.12 0.23 -3.26 115.31 123.74 2wrl h LEU 44 Ca -0.65 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.41 2wrl h LEU 44 Cb 1.67 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 2wrl h LEU 44 CO -0.32 0.35 0.00 -2.11 -0.13 0.00 0.00 178.44 176.23 2wrl n ARG 45 N -4.59 0.00 -0.25 1.25 1.85 -0.86 -1.27 116.66 112.79 2wrl n ARG 45 Ca 0.18 0.40 0.23 0.00 -1.00 0.00 0.00 57.85 57.67 2wrl n ARG 45 Cb 0.46 -0.94 0.43 0.00 -1.05 0.00 0.00 32.46 31.36 2wrl n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wrl n GLY 46 N -0.84 -0.64 0.41 2.89 0.00 -1.23 -0.74 105.19 105.04 2wrl n GLY 46 Ca 0.00 0.65 -0.18 0.00 0.00 0.00 0.00 46.02 46.48 2wrl n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wrl h PHE 47 N 0.00 -0.97 0.61 1.61 3.57 -1.29 -3.04 116.94 117.44 2wrl h PHE 47 Ca 0.64 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 62.09 2wrl h PHE 47 Cb 1.65 0.33 0.01 0.00 2.79 0.00 0.00 35.95 40.73 2wrl h PHE 47 CO -0.06 -0.58 -0.29 0.28 -2.23 0.00 0.00 178.31 175.43 2wrl h VAL 48 N -0.97 0.38 -0.52 1.41 2.07 -0.25 -2.91 116.25 115.46 2wrl h VAL 48 Ca -0.09 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.45 2wrl h VAL 48 Cb 0.77 0.42 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 2wrl h VAL 48 CO 0.12 0.01 -0.09 0.47 0.02 0.00 0.00 177.57 178.10 2wrl n ASP 49 N -5.42 -0.15 0.28 0.57 9.92 -0.89 0.15 116.55 121.01 2wrl n ASP 49 Ca -0.13 0.90 -0.16 0.00 -0.53 0.00 0.00 54.79 54.87 2wrl n ASP 49 Cb 0.34 -0.29 -0.09 0.00 -0.64 0.00 0.00 41.12 40.45 2wrl n ASP 49 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2wrl h HIS 50 N 0.00 -1.23 -0.66 1.24 2.76 -1.39 0.05 115.15 115.92 2wrl h HIS 50 Ca 0.27 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.58 2wrl h HIS 50 Cb 0.46 0.47 -0.10 0.00 1.55 0.00 0.00 27.41 29.79 2wrl h HIS 50 CO -0.37 -0.60 0.10 -0.07 -1.30 0.00 0.00 177.93 175.69 2wrl h LEU 51 N -0.92 -0.09 -0.10 0.26 4.07 0.14 0.13 115.31 118.80 2wrl h LEU 51 Ca -0.06 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.08 2wrl h LEU 51 Cb 0.79 0.21 -0.06 0.00 1.08 0.00 0.00 40.66 42.68 2wrl h LEU 51 CO -0.03 -0.05 -0.27 0.40 -1.08 0.00 0.00 178.44 177.40 2wrl h ILE 52 N 0.21 0.37 0.00 1.22 1.08 -0.56 0.96 117.51 120.79 2wrl h ILE 52 Ca 0.36 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.82 2wrl h ILE 52 Cb 0.58 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.70 2wrl h ILE 52 CO -0.49 0.00 -0.04 -0.74 -0.69 0.00 0.00 178.15 176.19 2wrl h HIS 53 N -0.36 0.00 -0.15 1.37 2.76 0.36 0.21 115.15 119.35 2wrl h HIS 53 Ca 0.09 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.09 2wrl h HIS 53 Cb 0.49 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2wrl h HIS 53 CO -0.35 0.04 -0.61 1.25 -1.30 0.00 0.00 177.93 176.96 2wrl h LEU 54 N 0.00 0.57 -1.38 0.26 5.85 0.34 -2.81 115.31 118.14 2wrl h LEU 54 Ca -0.00 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 2wrl h LEU 54 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2wrl h LEU 54 CO 0.01 1.04 0.01 0.00 -0.34 0.00 0.00 178.44 179.16 2wrl h ALA 55 N 0.96 1.50 0.25 1.25 0.00 0.12 -3.04 119.26 120.30 2wrl h ALA 55 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wrl h ALA 55 Cb 1.16 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2wrl h ALA 55 CO 0.11 0.36 -0.46 0.87 0.00 0.00 0.00 179.25 180.13 2wrl h LYS 56 N 0.41 -0.76 -1.00 0.00 1.57 -1.09 0.64 116.57 116.34 2wrl h LYS 56 Ca 0.09 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2wrl h LYS 56 Cb 0.26 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2wrl h LYS 56 CO 0.01 -0.51 0.00 2.89 -0.57 0.00 0.00 179.45 181.27 2wrl n ARG 57 N -5.50 0.94 -0.49 3.15 1.85 -1.15 -4.89 116.66 110.56 2wrl n ARG 57 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 2wrl n ARG 57 Cb 0.41 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.58 2wrl n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wrl n GLY 58 N 0.29 0.00 3.60 2.89 0.00 0.21 -4.90 105.19 107.29 2wrl n GLY 58 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2wrl n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wrl s ASP 59 N 0.15 4.33 0.09 1.61 3.84 -1.26 -4.95 116.67 120.47 2wrl s ASP 59 Ca 0.00 -0.67 -0.17 0.00 -0.00 0.00 0.00 52.55 51.71 2wrl s ASP 59 Cb 0.00 -0.74 -0.04 0.00 -1.38 0.00 0.00 42.92 40.77 2wrl s ASP 59 CO 0.00 0.04 0.86 -0.11 -0.00 0.00 0.00 175.17 175.96 2wrl n LEU 60 N -0.55 -0.58 0.00 2.11 7.94 -1.26 -1.11 117.00 123.55 2wrl n LEU 60 Ca -0.08 0.99 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 2wrl n LEU 60 Cb 0.58 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2wrl n LEU 60 CO 0.38 -0.80 0.35 1.57 -1.11 0.00 0.00 177.39 177.78 2wrl n HIS 61 N -4.65 0.00 -0.34 1.96 -0.00 -1.26 -1.93 115.22 109.01 2wrl n HIS 61 Ca 0.01 0.00 0.32 0.00 0.46 0.00 0.00 57.72 58.51 2wrl n HIS 61 Cb 0.14 -0.20 0.57 0.00 -0.12 0.00 0.00 29.99 30.38 2wrl n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wrl n ALA 62 N -1.39 1.05 0.27 1.57 0.00 -0.86 0.90 120.51 122.05 2wrl n ALA 62 Ca 0.00 0.88 -0.16 0.00 0.00 0.00 0.00 53.44 54.17 2wrl n ALA 62 Cb 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 2wrl n ALA 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrl h ARG 63 N 0.00 -0.85 -0.62 0.00 2.43 -0.68 -1.43 114.38 113.23 2wrl h ARG 63 Ca 0.79 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 60.13 2wrl h ARG 63 Cb 2.24 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 31.90 2wrl h ARG 63 CO -0.61 -0.57 0.18 0.00 -1.51 0.00 0.00 179.97 177.46 2wrl h ARG 64 N -0.88 0.31 0.00 0.20 3.08 0.12 0.45 114.38 117.66 2wrl h ARG 64 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2wrl h ARG 64 Cb 0.75 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2wrl h ARG 64 CO -0.03 0.21 0.11 1.25 -1.07 0.00 0.00 179.97 180.43 2wrl h LEU 65 N 0.32 0.00 0.02 3.04 5.85 -0.56 -0.42 115.31 123.56 2wrl h LEU 65 Ca 0.33 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.67 2wrl h LEU 65 Cb 0.47 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 2wrl h LEU 65 CO -0.38 0.00 -2.33 0.52 -0.34 0.00 0.00 178.44 175.91 2wrl n VAL 66 N -2.59 1.52 -0.31 1.05 0.31 0.14 -4.24 118.33 114.21 2wrl n VAL 66 Ca -0.02 -0.67 0.33 0.00 -0.01 0.00 0.00 64.34 63.97 2wrl n VAL 66 Cb 0.15 -1.20 0.71 0.00 -0.91 0.00 0.00 33.84 32.59 2wrl n VAL 66 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wrl h LEU 67 N 0.01 0.07 -0.31 7.52 -0.00 0.64 -1.85 115.31 121.39 2wrl h LEU 67 Ca -0.53 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.43 2wrl h LEU 67 Cb 2.02 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 42.60 2wrl h LEU 67 CO -0.02 0.01 -0.39 0.03 -0.00 0.00 0.00 178.44 178.07 2wrl h ARG 68 N 0.06 -0.34 0.06 1.13 3.08 -1.70 -3.25 114.38 113.42 2wrl h ARG 68 Ca 0.55 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.63 2wrl h ARG 68 Cb 2.10 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.23 2wrl h ARG 68 CO -0.05 -0.23 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.15 2wrl h ASP 69 N -0.35 -0.07 -3.54 7.04 3.45 -1.61 -3.41 116.42 117.93 2wrl h ASP 69 Ca 0.13 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 57.03 2wrl h ASP 69 Cb 0.58 0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.30 2wrl h ASP 69 CO -0.50 0.12 0.94 -0.76 -1.57 0.00 0.00 179.24 177.47 2wrl s LEU 70 N -5.89 3.69 0.45 1.55 1.43 -1.13 -4.88 118.68 113.89 2wrl s LEU 70 Ca -0.01 0.67 0.25 0.00 -1.03 0.00 0.00 54.13 54.01 2wrl s LEU 70 Cb 0.00 -3.55 0.72 0.00 0.03 0.00 0.00 46.19 43.40 2wrl s LEU 70 CO 0.04 -1.22 1.74 -0.61 0.23 0.00 0.00 176.35 176.53 2wrl h GLN 71 N 9.32 0.00 -6.28 1.70 5.75 -1.80 -3.37 115.11 120.42 2wrl h GLN 71 Ca -0.24 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.70 2wrl h GLN 71 Cb 1.07 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.59 2wrl h GLN 71 CO 1.10 0.13 1.13 0.34 -2.65 0.00 0.00 178.83 178.88 2wrl s ASP 72 N -6.10 6.36 0.13 -0.69 3.68 -1.26 -4.92 116.67 113.86 2wrl s ASP 72 Ca 0.03 1.60 -0.18 0.00 2.13 0.00 0.00 52.55 56.13 2wrl s ASP 72 Cb 0.08 -2.53 -0.04 0.00 -1.45 0.00 0.00 42.92 38.98 2wrl s ASP 72 CO 0.64 -1.28 1.76 0.58 0.13 0.00 0.00 175.17 177.00 2wrl h VAL 73 N 6.17 1.10 -0.49 1.11 2.07 -1.97 -2.20 116.25 122.05 2wrl h VAL 73 Ca -0.34 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2wrl h VAL 73 Cb 1.15 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2wrl h VAL 73 CO 1.00 0.10 0.23 0.50 0.02 0.00 0.00 177.57 179.42 2wrl h LYS 74 N 0.37 0.43 -0.86 1.57 1.63 -2.00 -2.35 116.57 115.35 2wrl h LYS 74 Ca 0.10 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2wrl h LYS 74 Cb 0.01 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.50 2wrl h LYS 74 CO -0.02 0.28 0.54 1.25 -3.45 0.00 0.00 179.45 178.05 2wrl h LEU 75 N 0.44 1.02 -0.45 5.20 7.12 -1.89 -1.63 115.31 125.12 2wrl h LEU 75 Ca 0.22 -0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 2wrl h LEU 75 Cb 0.17 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.02 2wrl h LEU 75 CO -0.18 0.77 0.20 1.62 -0.13 0.00 0.00 178.44 180.72 2wrl h VAL 76 N 1.18 1.19 -0.17 1.05 3.04 -0.88 -1.15 116.25 120.51 2wrl h VAL 76 Ca 0.31 -0.56 0.01 0.00 -1.01 0.00 0.00 66.70 65.45 2wrl h VAL 76 Cb -0.08 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 29.91 2wrl h VAL 76 CO -0.06 0.21 0.09 0.03 -1.01 0.00 0.00 177.57 176.83 2wrl h ARG 77 N 0.59 0.18 0.00 4.17 3.08 -1.13 1.36 114.38 122.63 2wrl h ARG 77 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wrl h ARG 77 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2wrl h ARG 77 CO -0.02 0.12 0.00 1.17 -1.07 0.00 0.00 179.97 180.17 2wrl n LYS 78 N -5.01 0.04 -0.12 0.04 4.81 -0.66 -0.24 118.16 117.02 2wrl n LYS 78 Ca -0.03 0.32 -0.22 0.00 -0.87 0.00 0.00 58.31 57.51 2wrl n LYS 78 Cb 0.05 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.51 2wrl n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wrl n LEU 79 N -1.39 2.18 0.03 3.14 -0.00 0.91 -3.06 117.00 118.81 2wrl n LEU 79 Ca 0.02 0.13 -0.14 0.00 -0.00 0.00 0.00 56.01 56.02 2wrl n LEU 79 Cb 0.05 -0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 42.71 2wrl n LEU 79 CO 0.04 0.64 0.26 -0.26 -0.00 0.00 0.00 177.39 178.08 2wrl h PHE 80 N -0.53 0.76 0.00 1.96 0.05 0.21 -0.13 116.94 119.26 2wrl h PHE 80 Ca -0.57 -0.36 -0.01 0.00 3.82 0.00 0.00 57.97 60.85 2wrl h PHE 80 Cb 1.62 -0.11 -0.00 0.00 2.00 0.00 0.00 35.95 39.46 2wrl h PHE 80 CO -0.04 1.16 -0.86 -0.44 -0.18 0.00 0.00 178.31 177.95 2wrl h ASP 81 N 0.35 0.00 0.00 2.17 3.32 -0.82 -3.41 116.42 118.04 2wrl h ASP 81 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2wrl h ASP 81 Cb 1.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2wrl h ASP 81 CO 0.15 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 177.08 2wrl n GLU 82 N -2.76 0.00 0.00 3.56 1.02 -1.25 -4.75 120.64 116.46 2wrl n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2wrl n GLU 82 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 2wrl n GLU 82 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wrl n ILE 83 N -1.06 0.67 -0.03 -3.67 2.08 -1.17 -2.75 119.36 113.44 2wrl n ILE 83 Ca 0.00 0.46 -0.02 0.00 0.56 0.00 0.00 62.75 63.75 2wrl n ILE 83 Cb 0.00 -1.46 -0.01 0.00 -0.75 0.00 0.00 39.64 37.42 2wrl n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wrl n ALA 84 N -1.15 0.20 0.33 -1.39 0.00 -0.07 -4.35 120.51 114.08 2wrl n ALA 84 Ca 0.00 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.27 2wrl n ALA 84 Cb 0.30 0.01 0.67 0.00 0.00 0.00 0.00 19.45 20.42 2wrl n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wrl h PRO 85 N -0.33 0.00 0.00 0.00 0.11 -1.73 -0.40 132.00 129.65 2wrl h PRO 85 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wrl h PRO 85 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2wrl h PRO 85 CO 0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 2wrl n ARG 86 N -2.82 0.07 0.00 1.05 1.74 -1.16 -3.83 116.66 111.71 2wrl n ARG 86 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2wrl n ARG 86 Cb 0.50 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 2wrl n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wrl n TYR 87 N -0.59 0.00 0.00 -1.55 4.01 -0.16 -4.95 117.16 113.91 2wrl n TYR 87 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2wrl n TYR 87 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2wrl n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wrl n ARG 88 N -0.15 0.00 0.00 -0.72 0.00 -1.24 -3.42 116.66 111.12 2wrl n ARG 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wrl n ARG 88 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 30.51 2wrl n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wrl n ASP 89 N 0.00 3.75 -4.60 6.15 8.00 -1.26 -4.96 116.55 123.62 2wrl n ASP 89 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2wrl n ASP 89 Cb 0.00 0.62 -0.05 0.00 -0.02 0.00 0.00 41.12 41.67 2wrl n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wrl s ARG 90 N -1.58 3.88 -0.86 -1.24 3.52 -1.22 -4.99 118.95 116.46 2wrl s ARG 90 Ca 0.00 0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 55.93 2wrl s ARG 90 Cb 0.00 -3.76 0.14 0.00 -1.56 0.00 0.00 34.95 29.76 2wrl s ARG 90 CO 0.00 -0.77 1.02 -0.65 -0.81 0.00 0.00 175.30 174.09 2wrl s GLN 91 N 3.08 3.51 0.00 5.12 -0.21 -1.26 -4.94 119.66 124.96 2wrl s GLN 91 Ca 0.33 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 53.96 2wrl s GLN 91 Cb -0.14 -4.72 0.00 0.00 1.00 0.00 0.00 33.01 29.15 2wrl s GLN 91 CO 0.15 -1.68 0.00 0.41 -2.12 0.00 0.00 175.29 172.05 2wrl n GLY 92 N 5.22 -3.84 3.76 3.09 0.00 -1.26 -5.03 105.19 107.13 2wrl n GLY 92 Ca 0.17 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 2wrl n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrl n GLY 93 N -0.27 -0.46 1.10 -0.02 0.00 -1.26 -4.86 105.19 99.42 2wrl n GLY 93 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 2wrl n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrl n TYR 94 N -4.25 0.63 -4.06 1.61 4.02 -1.26 -4.85 117.16 109.00 2wrl n TYR 94 Ca -0.25 -0.56 -0.08 0.00 -0.01 0.00 0.00 57.90 57.00 2wrl n TYR 94 Cb 0.66 -0.33 -0.10 0.00 -0.02 0.00 0.00 39.34 39.55 2wrl n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wrl s THR 95 N -1.03 0.22 -0.06 -0.72 -1.32 -1.26 -4.12 115.64 107.35 2wrl s THR 95 Ca 0.13 -1.53 -0.04 0.00 -1.21 0.00 0.00 61.69 59.04 2wrl s THR 95 Cb 0.11 -1.13 0.02 0.00 -1.51 0.00 0.00 72.50 69.99 2wrl s THR 95 CO 0.03 -0.83 0.14 -0.60 -2.21 0.00 0.00 174.62 171.16 2wrl s ARG 96 N -3.11 0.14 -0.17 7.08 3.52 -0.93 -4.87 118.95 120.61 2wrl s ARG 96 Ca -0.00 0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 55.83 2wrl s ARG 96 Cb 0.02 -0.00 0.05 0.00 -1.56 0.00 0.00 34.95 33.46 2wrl s ARG 96 CO -0.07 -0.06 0.01 0.08 -0.81 0.00 0.00 175.30 174.45 2wrl s VAL 97 N 0.41 0.69 -0.11 7.11 1.01 -1.25 -1.30 120.40 126.97 2wrl s VAL 97 Ca -0.03 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2wrl s VAL 97 Cb -0.04 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.29 2wrl s VAL 97 CO -0.02 -0.06 -0.15 -0.76 0.00 0.00 0.00 175.10 174.11 2wrl s LEU 98 N 1.80 1.69 0.10 3.92 1.43 -0.05 -4.89 118.68 122.67 2wrl s LEU 98 Ca -0.00 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.40 2wrl s LEU 98 Cb -0.16 -1.07 -0.06 0.00 0.03 0.00 0.00 46.19 44.93 2wrl s LEU 98 CO -0.07 0.01 0.87 -1.59 0.23 0.00 0.00 176.35 175.79 2wrl s LYS 99 N 1.03 4.62 0.36 1.70 0.00 -1.26 0.25 119.74 126.43 2wrl s LYS 99 Ca -0.06 1.28 0.07 0.00 0.00 0.00 0.00 55.97 57.26 2wrl s LYS 99 Cb -0.15 -3.35 -0.01 0.00 0.00 0.00 0.00 37.83 34.32 2wrl s LYS 99 CO -0.02 0.30 0.47 -0.51 0.00 0.00 0.00 175.35 175.59 2wrl s LEU 100 N -0.22 3.82 0.79 2.77 2.01 -1.23 -4.93 118.68 121.70 2wrl s LEU 100 Ca 0.42 -0.31 -0.11 0.00 0.01 0.00 0.00 54.13 54.14 2wrl s LEU 100 Cb -0.22 -2.64 0.07 0.00 0.01 0.00 0.00 46.19 43.41 2wrl s LEU 100 CO 0.27 -0.52 1.15 0.00 1.01 0.00 0.00 176.35 178.26 2wrl s ALA 101 N -2.25 2.74 0.22 4.21 0.00 -1.26 -4.70 121.76 120.72 2wrl s ALA 101 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2wrl s ALA 101 Cb -0.09 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2wrl s ALA 101 CO 0.31 -1.60 0.00 0.39 0.00 0.00 0.00 175.76 174.86 2wrl n GLU 102 N -3.25 -2.38 -3.79 0.00 1.02 -1.26 -4.94 120.64 106.04 2wrl n GLU 102 Ca 0.08 1.75 -0.24 0.00 -0.02 0.00 0.00 57.16 58.73 2wrl n GLU 102 Cb 0.61 -1.94 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 2wrl n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wrl s ARG 103 N -4.03 2.35 0.04 3.49 0.52 -1.26 -4.32 118.95 115.74 2wrl s ARG 103 Ca 0.00 -1.81 -0.31 0.00 -0.52 0.00 0.00 55.73 53.09 2wrl s ARG 103 Cb 0.00 -2.19 -0.07 0.00 0.52 0.00 0.00 34.95 33.21 2wrl s ARG 103 CO 0.00 -0.39 1.52 1.03 0.02 0.00 0.00 175.30 177.47 2wrl s ARG 104 N -4.18 4.24 -1.19 3.54 0.52 -0.98 -4.85 118.95 116.06 2wrl s ARG 104 Ca 0.41 2.15 -0.09 0.00 -0.52 0.00 0.00 55.73 57.68 2wrl s ARG 104 Cb -0.02 -3.55 -0.12 0.00 0.52 0.00 0.00 34.95 31.78 2wrl s ARG 104 CO 0.24 -0.64 3.00 0.54 0.02 0.00 0.00 175.30 178.46 2wrl n ARG 105 N 5.33 3.14 -0.17 3.54 1.74 -1.26 -2.46 116.66 126.51 2wrl n ARG 105 Ca 0.14 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 2wrl n ARG 105 Cb 0.42 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 2wrl n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 106 N 3.36 0.82 0.00 -0.13 0.00 -1.26 -4.97 105.19 103.01 2wrl n GLY 106 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2wrl n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wrl n ASP 107 N 0.00 0.00 -0.84 1.61 3.85 -1.19 -5.02 116.55 114.96 2wrl n ASP 107 Ca 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.06 2wrl n ASP 107 Cb 0.41 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.19 2wrl n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wrl n GLY 108 N 0.00 0.77 3.57 6.12 0.00 -1.03 -5.04 105.19 109.57 2wrl n GLY 108 Ca 0.00 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2wrl n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl s ALA 109 N -3.03 3.44 0.09 4.61 0.00 -1.26 -4.88 121.76 120.73 2wrl s ALA 109 Ca 0.05 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 2wrl s ALA 109 Cb -0.02 -2.34 -0.07 0.00 0.00 0.00 0.00 23.12 20.69 2wrl s ALA 109 CO 0.07 -0.45 1.37 -1.25 0.00 0.00 0.00 175.76 175.50 2wrl s PRO 110 N 1.56 4.33 0.44 0.00 0.04 -1.26 -2.32 135.00 137.79 2wrl s PRO 110 Ca 0.07 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.18 2wrl s PRO 110 Cb -0.15 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2wrl s PRO 110 CO 0.08 -0.44 0.61 -0.51 0.04 0.00 0.00 177.00 176.77 2wrl s LEU 111 N 1.37 3.61 0.00 -3.56 1.43 -1.26 -2.25 118.68 118.01 2wrl s LEU 111 Ca 0.64 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 2wrl s LEU 111 Cb -0.35 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.15 2wrl s LEU 111 CO 0.29 -0.81 0.52 0.00 0.23 0.00 0.00 176.35 176.59 2wrl n ALA 112 N -1.95 -0.57 -2.62 4.21 0.00 0.19 -3.51 120.51 116.27 2wrl n ALA 112 Ca 0.07 -1.50 -0.21 0.00 0.00 0.00 0.00 53.44 51.80 2wrl n ALA 112 Cb 0.59 1.21 -0.14 0.00 0.00 0.00 0.00 19.45 21.11 2wrl n ALA 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wrl s LEU 113 N 0.00 2.14 -0.06 0.00 2.96 0.14 -3.05 118.68 120.81 2wrl s LEU 113 Ca 0.26 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2wrl s LEU 113 Cb -0.02 -0.65 0.02 0.00 0.50 0.00 0.00 46.19 46.05 2wrl s LEU 113 CO 0.19 0.07 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.56 2wrl s VAL 114 N -0.73 0.55 0.14 1.68 1.01 -0.58 -0.87 120.40 121.59 2wrl s VAL 114 Ca 0.03 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2wrl s VAL 114 Cb -0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2wrl s VAL 114 CO 0.01 0.26 -0.18 -0.70 0.00 0.00 0.00 175.10 174.48 2wrl s GLU 115 N 1.36 1.18 0.00 2.72 2.12 -0.42 -0.73 118.70 124.93 2wrl s GLU 115 Ca -0.04 -1.30 0.07 0.00 0.36 0.00 0.00 54.97 54.06 2wrl s GLU 115 Cb -0.13 -1.26 0.43 0.00 0.26 0.00 0.00 34.13 33.42 2wrl s GLU 115 CO -0.03 0.27 0.93 1.28 -0.54 0.00 0.00 175.26 177.17 2wrl n LEU 116 N 0.58 0.00 -1.29 2.70 4.77 -0.43 -2.18 117.00 121.14 2wrl n LEU 116 Ca -0.16 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 55.98 2wrl n LEU 116 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 2wrl n LEU 116 CO 0.27 0.00 -0.53 0.52 -1.33 0.00 0.00 177.39 176.31 2wrl n VAL 117 N -0.70 -0.62 0.00 4.08 0.31 -1.26 -4.66 118.33 115.48 2wrl n VAL 117 Ca 0.05 0.74 0.00 0.00 -0.01 0.00 0.00 64.34 65.13 2wrl n VAL 117 Cb 0.02 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2wrl n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72