#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj s HIS 3 N 0.00 1.70 0.00 2.89 3.76 -1.26 -4.75 115.29 117.63 2wrj s HIS 3 Ca 0.00 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 2wrj s HIS 3 Cb 0.00 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.85 2wrj s HIS 3 CO 0.00 0.30 0.00 -0.11 -0.85 0.00 0.00 174.74 174.08 2wrj n LEU 4 N -0.40 0.00 0.00 0.89 -0.00 -1.26 -4.90 117.00 111.33 2wrj n LEU 4 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2wrj n LEU 4 Cb 0.61 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2wrj n LEU 4 CO 0.35 0.00 0.45 0.29 -0.00 0.00 0.00 177.39 178.49 2wrj n LYS 5 N -2.09 0.00 -1.94 1.96 4.01 -1.26 -4.43 118.16 114.41 2wrj n LYS 5 Ca 0.00 0.37 -0.02 0.00 -0.51 0.00 0.00 58.31 58.15 2wrj n LYS 5 Cb 0.00 -1.54 -0.00 0.00 -0.51 0.00 0.00 35.03 32.97 2wrj n LYS 5 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2wrj n SER 6 N -1.36 1.61 -1.91 4.39 3.41 -1.26 -5.17 113.62 113.32 2wrj n SER 6 Ca 0.00 -1.16 -0.08 0.00 -0.26 0.00 0.00 58.87 57.37 2wrj n SER 6 Cb 0.04 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2wrj n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrj n GLY 7 N 4.51 3.48 0.00 5.00 0.00 -1.26 -5.06 105.19 111.86 2wrj n GLY 7 Ca -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2wrj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj n ARG 8 N -0.26 0.00 -1.94 1.61 3.00 -1.26 -5.08 116.66 112.73 2wrj n ARG 8 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.49 2wrj n ARG 8 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.73 2wrj n ARG 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2wrj s LYS 9 N -0.13 3.42 -0.29 5.56 -2.85 -1.26 -5.04 119.74 119.16 2wrj s LYS 9 Ca 0.00 2.11 -0.16 0.00 -1.00 0.00 0.00 55.97 56.92 2wrj s LYS 9 Cb 0.00 -2.37 0.12 0.00 -2.06 0.00 0.00 37.83 33.52 2wrj s LYS 9 CO 0.00 -0.93 0.84 -0.51 0.10 0.00 0.00 175.35 174.86 2wrj s LEU 10 N -3.24 -0.72 0.43 2.77 1.43 -1.26 -5.10 118.68 113.00 2wrj s LEU 10 Ca 0.67 1.13 0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2wrj s LEU 10 Cb -0.37 2.03 -0.05 0.00 0.03 0.00 0.00 46.19 47.83 2wrj s LEU 10 CO 0.45 -0.18 0.02 0.21 0.23 0.00 0.00 176.35 177.08 2wrj s ASN 11 N 1.56 3.66 0.09 2.29 3.84 -1.26 -5.04 114.94 120.08 2wrj s ASN 11 Ca -0.09 -1.49 0.00 0.00 0.21 0.00 0.00 52.86 51.48 2wrj s ASN 11 Cb -0.05 0.04 0.00 0.00 -0.55 0.00 0.00 41.25 40.69 2wrj s ASN 11 CO -0.17 -0.65 0.00 0.54 -2.79 0.00 0.00 177.10 174.03 2wrj n ARG 12 N -1.03 0.00 -3.72 0.43 1.74 -1.26 -4.64 116.66 108.19 2wrj n ARG 12 Ca -0.10 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.85 2wrj n ARG 12 Cb 0.67 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 32.02 2wrj n ARG 12 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2wrj s HIS 13 N 0.00 -0.32 0.00 -1.55 -3.43 -1.26 -4.92 115.29 103.80 2wrj s HIS 13 Ca 0.00 0.62 0.00 0.00 -0.80 0.00 0.00 55.06 54.88 2wrj s HIS 13 Cb 0.00 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2wrj s HIS 13 CO 0.00 -0.37 0.00 0.45 -2.00 0.00 0.00 174.74 172.82 2wrj n SER 14 N 1.67 0.00 -0.06 7.38 2.88 -1.26 0.08 113.62 124.31 2wrj n SER 14 Ca -0.19 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 2wrj n SER 14 Cb 0.56 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.97 2wrj n SER 14 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2wrj h SER 15 N 0.00 0.37 0.06 -3.46 4.64 -1.99 -2.74 113.55 110.42 2wrj h SER 15 Ca 0.00 -0.39 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2wrj h SER 15 Cb 0.00 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2wrj h SER 15 CO 0.00 0.67 -0.02 -0.74 -0.87 0.00 0.00 176.83 175.87 2wrj h HIS 16 N 0.06 0.00 0.06 4.77 -0.00 -0.77 0.83 115.15 120.11 2wrj h HIS 16 Ca 0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 60.37 60.19 2wrj h HIS 16 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 27.95 2wrj h HIS 16 CO 0.06 0.02 -0.91 -0.09 -0.00 0.00 0.00 177.93 177.01 2wrj h ARG 17 N 0.00 0.50 0.10 5.26 2.43 -1.03 -3.19 114.38 118.45 2wrj h ARG 17 Ca -0.00 -0.63 -0.00 0.00 -0.81 0.00 0.00 59.98 58.54 2wrj h ARG 17 Cb 0.06 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2wrj h ARG 17 CO 0.00 1.25 -0.05 1.25 -1.51 0.00 0.00 179.97 180.92 2wrj h LEU 18 N 0.04 -0.11 -0.38 3.80 6.46 -1.05 -2.96 115.31 121.11 2wrj h LEU 18 Ca -0.13 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 2wrj h LEU 18 Cb 1.62 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.58 2wrj h LEU 18 CO 0.18 0.41 0.17 0.00 -0.62 0.00 0.00 178.44 178.58 2wrj n ALA 19 N -2.45 0.72 0.03 1.25 0.00 0.21 -0.11 120.51 120.17 2wrj n ALA 19 Ca -0.08 0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 2wrj n ALA 19 Cb 0.27 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2wrj n ALA 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wrj h LEU 20 N 0.00 -0.16 -1.98 0.00 5.85 -1.50 -3.00 115.31 114.52 2wrj h LEU 20 Ca 0.00 -0.08 0.27 0.00 0.84 0.00 0.00 57.88 58.91 2wrj h LEU 20 Cb 0.34 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2wrj h LEU 20 CO 0.00 0.36 0.67 1.88 -0.34 0.00 0.00 178.44 181.01 2wrj h TYR 21 N -1.03 0.02 0.00 1.25 0.99 -0.49 0.16 116.97 117.86 2wrj h TYR 21 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 2wrj h TYR 21 Cb 0.23 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 37.95 2wrj h TYR 21 CO 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 178.16 177.82 2wrj h ARG 22 N 0.02 0.00 -0.01 4.88 3.08 -1.45 -2.70 114.38 118.20 2wrj h ARG 22 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 2wrj h ARG 22 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.82 2wrj h ARG 22 CO -0.01 0.00 -0.55 0.09 -1.07 0.00 0.00 179.97 178.42 2wrj n ASN 23 N -2.74 1.07 -0.16 7.04 5.03 0.47 -2.74 115.26 123.23 2wrj n ASN 23 Ca 0.03 -0.86 0.08 0.00 0.87 0.00 0.00 54.58 54.70 2wrj n ASN 23 Cb 0.51 0.45 -0.05 0.00 -1.02 0.00 0.00 39.78 39.67 2wrj n ASN 23 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wrj n GLN 24 N -0.97 1.72 -0.08 3.52 6.02 -0.75 -2.87 117.38 123.98 2wrj n GLN 24 Ca 0.08 -0.35 -0.23 0.00 -0.01 0.00 0.00 57.00 56.49 2wrj n GLN 24 Cb 0.36 -1.27 -0.12 0.00 1.02 0.00 0.00 30.24 30.24 2wrj n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wrj n ALA 25 N -0.84 0.91 -0.18 -1.58 0.00 -1.02 -2.93 120.51 114.88 2wrj n ALA 25 Ca 0.05 -0.64 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 2wrj n ALA 25 Cb 0.29 -0.46 0.01 0.00 0.00 0.00 0.00 19.45 19.29 2wrj n ALA 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrj h LYS 26 N -0.66 0.74 0.51 0.00 1.57 -1.69 0.99 116.57 118.03 2wrj h LYS 26 Ca -0.44 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.20 2wrj h LYS 26 Cb 1.58 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.77 2wrj h LYS 26 CO -0.16 0.64 -0.24 0.77 -0.57 0.00 0.00 179.45 179.89 2wrj h SER 27 N 0.68 -0.58 -0.15 0.86 0.02 -1.69 -3.10 113.55 109.59 2wrj h SER 27 Ca 0.17 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2wrj h SER 27 Cb 0.16 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2wrj h SER 27 CO -0.02 -0.41 0.09 0.25 -1.14 0.00 0.00 176.83 175.61 2wrj h LEU 28 N -0.69 0.17 0.00 5.07 6.46 -1.41 -2.52 115.31 122.40 2wrj h LEU 28 Ca -0.07 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2wrj h LEU 28 Cb 0.53 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2wrj h LEU 28 CO 0.11 0.16 0.00 0.18 -0.62 0.00 0.00 178.44 178.27 2wrj n LEU 29 N -4.97 0.00 -2.18 2.25 4.32 0.33 -0.42 117.00 116.33 2wrj n LEU 29 Ca -0.04 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 55.95 2wrj n LEU 29 Cb 0.04 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.88 2wrj n LEU 29 CO 0.34 0.00 0.11 0.41 -1.22 0.00 0.00 177.39 177.03 2wrj n THR 30 N -0.55 0.57 -0.79 -5.08 -1.04 -0.96 -4.73 114.28 101.71 2wrj n THR 30 Ca 0.01 -1.78 0.00 0.00 -2.04 0.00 0.00 64.05 60.24 2wrj n THR 30 Cb 0.00 1.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 2wrj n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wrj n HIS 31 N -0.24 0.00 0.00 -1.42 8.25 -0.95 -4.98 115.22 115.88 2wrj n HIS 31 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2wrj n HIS 31 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 2wrj n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrj n GLY 32 N 0.00 0.62 3.01 -1.41 0.00 0.44 -4.77 105.19 103.08 2wrj n GLY 32 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2wrj n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 33 N 0.00 0.74 0.07 1.61 0.52 -1.26 -1.16 118.95 119.47 2wrj s ARG 33 Ca 0.00 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 2wrj s ARG 33 Cb 0.00 -0.72 -0.03 0.00 0.52 0.00 0.00 34.95 34.73 2wrj s ARG 33 CO 0.00 0.17 -0.13 0.42 0.02 0.00 0.00 175.30 175.78 2wrj s ILE 34 N -0.13 1.02 -0.20 1.52 -1.09 0.02 -4.90 121.20 117.44 2wrj s ILE 34 Ca 0.02 -1.30 0.01 0.00 -2.23 0.00 0.00 60.65 57.15 2wrj s ILE 34 Cb -0.04 -1.03 0.04 0.00 -1.58 0.00 0.00 42.46 39.85 2wrj s ILE 34 CO -0.00 -0.27 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.43 2wrj s THR 35 N -1.38 1.68 0.00 2.92 2.01 -1.26 -1.48 115.64 118.13 2wrj s THR 35 Ca -0.03 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.96 2wrj s THR 35 Cb -0.09 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.68 2wrj s THR 35 CO 0.02 0.20 0.00 0.35 -0.69 0.00 0.00 174.62 174.50 2wrj n THR 36 N 4.67 0.00 -2.91 -0.82 -2.24 -1.16 -4.95 114.28 106.87 2wrj n THR 36 Ca -0.15 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 2wrj n THR 36 Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 2wrj n THR 36 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wrj s THR 37 N 0.37 4.83 0.14 4.28 -4.23 -1.26 0.42 115.64 120.18 2wrj s THR 37 Ca 0.00 0.50 -0.30 0.00 -1.18 0.00 0.00 61.69 60.71 2wrj s THR 37 Cb 0.00 -3.74 -0.07 0.00 1.34 0.00 0.00 72.50 70.03 2wrj s THR 37 CO 0.00 -0.52 1.56 0.58 -0.54 0.00 0.00 174.62 175.71 2wrj h VAL 38 N 1.06 0.06 -0.05 2.29 2.07 -1.67 -2.85 116.25 117.17 2wrj h VAL 38 Ca -0.47 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.08 2wrj h VAL 38 Cb 1.19 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2wrj h VAL 38 CO 0.64 0.00 -0.40 -0.65 0.02 0.00 0.00 177.57 177.18 2wrj h PRO 39 N -0.44 -0.50 -0.65 1.57 0.11 -1.95 -0.52 132.00 129.62 2wrj h PRO 39 Ca 0.09 0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.37 2wrj h PRO 39 Cb 0.62 0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.73 2wrj h PRO 39 CO -0.52 -0.34 -0.05 0.87 -0.21 0.00 0.00 178.00 177.75 2wrj h LYS 40 N -0.52 0.07 0.89 1.05 1.57 -1.94 -0.99 116.57 116.69 2wrj h LYS 40 Ca 0.06 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2wrj h LYS 40 Cb 0.62 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wrj h LYS 40 CO -0.33 0.05 -0.47 0.00 -0.57 0.00 0.00 179.45 178.12 2wrj h ALA 41 N 1.62 -1.27 0.00 3.86 0.00 -1.24 0.43 119.26 122.65 2wrj h ALA 41 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wrj h ALA 41 Cb 0.55 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wrj h ALA 41 CO -0.60 -1.22 0.47 1.63 0.00 0.00 0.00 179.25 179.52 2wrj n LYS 42 N -5.64 0.06 -0.13 0.00 5.02 -0.24 -0.35 118.16 116.88 2wrj n LYS 42 Ca -0.16 0.53 -0.26 0.00 -2.02 0.00 0.00 58.31 56.41 2wrj n LYS 42 Cb 0.51 -2.17 -0.10 0.00 -0.02 0.00 0.00 35.03 33.25 2wrj n LYS 42 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wrj n GLU 43 N -1.94 0.58 -0.28 1.97 4.07 -0.44 -4.56 120.64 120.04 2wrj n GLU 43 Ca -0.01 0.22 0.12 0.00 -0.06 0.00 0.00 57.16 57.44 2wrj n GLU 43 Cb 0.48 -1.47 0.38 0.00 -0.06 0.00 0.00 31.44 30.77 2wrj n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2wrj h LEU 44 N -0.71 0.66 0.00 4.31 7.12 0.28 -3.25 115.31 123.71 2wrj h LEU 44 Ca -0.65 0.04 0.00 0.00 0.13 0.00 0.00 57.88 57.40 2wrj h LEU 44 Cb 1.67 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.71 2wrj h LEU 44 CO -0.33 0.32 0.00 -2.11 -0.13 0.00 0.00 178.44 176.19 2wrj n ARG 45 N -4.57 0.00 -0.26 1.25 1.85 -0.86 -1.44 116.66 112.63 2wrj n ARG 45 Ca 0.18 0.42 0.24 0.00 -1.00 0.00 0.00 57.85 57.69 2wrj n ARG 45 Cb 0.49 -0.99 0.44 0.00 -1.05 0.00 0.00 32.46 31.35 2wrj n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wrj n GLY 46 N -0.91 -0.65 0.41 2.89 0.00 -1.23 -0.61 105.19 105.09 2wrj n GLY 46 Ca 0.00 0.66 -0.19 0.00 0.00 0.00 0.00 46.02 46.49 2wrj n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wrj h PHE 47 N 0.00 -0.94 0.48 1.61 3.57 -1.35 -3.03 116.94 117.29 2wrj h PHE 47 Ca 0.66 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.11 2wrj h PHE 47 Cb 1.70 0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.76 2wrj h PHE 47 CO -0.05 -0.58 -0.23 0.28 -2.23 0.00 0.00 178.31 175.50 2wrj h VAL 48 N -1.01 0.52 -0.56 1.41 2.07 -0.10 -2.93 116.25 115.65 2wrj h VAL 48 Ca -0.10 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.39 2wrj h VAL 48 Cb 0.77 0.58 -0.11 0.00 -1.52 0.00 0.00 31.29 31.02 2wrj h VAL 48 CO 0.16 0.03 -0.12 0.47 0.02 0.00 0.00 177.57 178.13 2wrj n ASP 49 N -5.33 -0.19 0.22 0.57 9.92 -0.82 0.11 116.55 121.03 2wrj n ASP 49 Ca -0.12 0.95 -0.15 0.00 -0.53 0.00 0.00 54.79 54.95 2wrj n ASP 49 Cb 0.29 -0.29 -0.08 0.00 -0.64 0.00 0.00 41.12 40.39 2wrj n ASP 49 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 2wrj h HIS 50 N 0.00 -1.21 -0.67 1.24 2.76 -1.38 0.12 115.15 116.01 2wrj h HIS 50 Ca 0.27 0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.60 2wrj h HIS 50 Cb 0.44 0.48 -0.10 0.00 1.55 0.00 0.00 27.41 29.77 2wrj h HIS 50 CO -0.41 -0.56 0.11 -0.07 -1.30 0.00 0.00 177.93 175.70 2wrj h LEU 51 N -0.82 -0.07 -0.10 0.26 4.07 0.75 0.63 115.31 120.03 2wrj h LEU 51 Ca -0.05 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.10 2wrj h LEU 51 Cb 0.72 0.21 -0.05 0.00 1.08 0.00 0.00 40.66 42.62 2wrj h LEU 51 CO -0.09 -0.05 -0.24 0.40 -1.08 0.00 0.00 178.44 177.39 2wrj h ILE 52 N 0.22 0.43 0.00 1.22 1.08 -0.62 0.15 117.51 119.99 2wrj h ILE 52 Ca 0.36 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.82 2wrj h ILE 52 Cb 0.59 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.77 2wrj h ILE 52 CO -0.49 0.00 -0.07 -0.74 -0.69 0.00 0.00 178.15 176.16 2wrj h HIS 53 N -0.32 0.00 -0.13 1.37 2.76 0.44 0.31 115.15 119.58 2wrj h HIS 53 Ca 0.09 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.10 2wrj h HIS 53 Cb 0.45 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2wrj h HIS 53 CO -0.33 0.07 -0.60 1.25 -1.30 0.00 0.00 177.93 177.03 2wrj h LEU 54 N 0.00 0.48 -1.34 0.26 5.85 0.51 -2.80 115.31 118.27 2wrj h LEU 54 Ca -0.00 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2wrj h LEU 54 Cb 0.13 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2wrj h LEU 54 CO 0.01 0.97 -0.04 0.00 -0.34 0.00 0.00 178.44 179.04 2wrj h ALA 55 N 1.04 1.46 0.27 1.25 0.00 0.13 -3.05 119.26 120.36 2wrj h ALA 55 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2wrj h ALA 55 Cb 1.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2wrj h ALA 55 CO 0.10 0.38 -0.45 0.87 0.00 0.00 0.00 179.25 180.15 2wrj h LYS 56 N 0.37 -0.76 -1.00 0.00 1.57 -1.08 0.86 116.57 116.53 2wrj h LYS 56 Ca 0.08 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2wrj h LYS 56 Cb 0.32 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2wrj h LYS 56 CO 0.01 -0.51 0.00 2.89 -0.57 0.00 0.00 179.45 181.28 2wrj n ARG 57 N -5.50 0.96 -0.46 3.15 1.85 -1.16 -4.89 116.66 110.61 2wrj n ARG 57 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 2wrj n ARG 57 Cb 0.41 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 2wrj n ARG 57 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wrj n GLY 58 N 0.27 0.00 3.59 2.89 0.00 0.29 -4.90 105.19 107.33 2wrj n GLY 58 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2wrj n GLY 58 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wrj s ASP 59 N 0.16 4.29 0.09 1.61 3.84 -1.26 -4.95 116.67 120.44 2wrj s ASP 59 Ca 0.00 -0.65 -0.17 0.00 -0.00 0.00 0.00 52.55 51.73 2wrj s ASP 59 Cb 0.00 -0.72 -0.04 0.00 -1.38 0.00 0.00 42.92 40.78 2wrj s ASP 59 CO 0.00 0.06 0.84 -0.11 -0.00 0.00 0.00 175.17 175.96 2wrj n LEU 60 N -0.36 -0.57 0.00 2.11 7.94 -1.26 -1.06 117.00 123.79 2wrj n LEU 60 Ca -0.09 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 2wrj n LEU 60 Cb 0.57 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2wrj n LEU 60 CO 0.37 -0.79 0.36 1.57 -1.11 0.00 0.00 177.39 177.80 2wrj n HIS 61 N -4.67 0.00 -0.37 1.96 -0.00 -1.26 -1.87 115.22 109.01 2wrj n HIS 61 Ca 0.01 0.00 0.34 0.00 0.46 0.00 0.00 57.72 58.53 2wrj n HIS 61 Cb 0.14 -0.22 0.60 0.00 -0.12 0.00 0.00 29.99 30.38 2wrj n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wrj n ALA 62 N -1.46 1.13 0.30 1.57 0.00 -0.80 0.86 120.51 122.12 2wrj n ALA 62 Ca 0.00 0.88 -0.16 0.00 0.00 0.00 0.00 53.44 54.16 2wrj n ALA 62 Cb 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 2wrj n ALA 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrj h ARG 63 N 0.00 -0.89 -0.67 0.00 2.43 -0.62 -1.63 114.38 112.99 2wrj h ARG 63 Ca 0.81 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 60.17 2wrj h ARG 63 Cb 2.40 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 32.06 2wrj h ARG 63 CO -0.57 -0.59 0.20 0.00 -1.51 0.00 0.00 179.97 177.50 2wrj h ARG 64 N -0.92 0.33 0.00 0.20 3.08 0.12 0.44 114.38 117.62 2wrj h ARG 64 Ca -0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2wrj h ARG 64 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2wrj h ARG 64 CO 0.02 0.22 0.10 1.25 -1.07 0.00 0.00 179.97 180.49 2wrj h LEU 65 N 0.34 0.00 0.02 3.04 5.85 -0.56 -1.01 115.31 122.98 2wrj h LEU 65 Ca 0.36 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.70 2wrj h LEU 65 Cb 0.55 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2wrj h LEU 65 CO -0.41 0.00 -2.36 0.52 -0.34 0.00 0.00 178.44 175.85 2wrj n VAL 66 N -2.61 1.52 -0.33 1.05 0.31 0.14 -4.24 118.33 114.16 2wrj n VAL 66 Ca -0.02 -0.65 0.32 0.00 -0.01 0.00 0.00 64.34 63.97 2wrj n VAL 66 Cb 0.15 -1.24 0.67 0.00 -0.91 0.00 0.00 33.84 32.51 2wrj n VAL 66 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wrj h LEU 67 N 0.01 0.15 -0.40 7.52 -0.00 0.29 -1.85 115.31 121.03 2wrj h LEU 67 Ca -0.54 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.45 2wrj h LEU 67 Cb 2.00 0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 42.58 2wrj h LEU 67 CO -0.03 0.02 -0.41 0.03 -0.00 0.00 0.00 178.44 178.04 2wrj h ARG 68 N 0.12 -0.31 0.06 1.13 3.08 -1.71 -3.24 114.38 113.51 2wrj h ARG 68 Ca 0.59 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.66 2wrj h ARG 68 Cb 2.07 0.07 0.00 0.00 0.08 0.00 0.00 29.97 32.19 2wrj h ARG 68 CO -0.12 -0.21 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.11 2wrj h ASP 69 N -0.32 -0.06 -3.45 7.04 3.45 -1.60 -3.41 116.42 118.06 2wrj h ASP 69 Ca 0.14 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 57.04 2wrj h ASP 69 Cb 0.58 0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.30 2wrj h ASP 69 CO -0.56 0.08 0.96 -0.76 -1.57 0.00 0.00 179.24 177.39 2wrj s LEU 70 N -5.51 3.71 0.47 1.55 1.43 -1.13 -4.87 118.68 114.33 2wrj s LEU 70 Ca -0.01 0.77 0.26 0.00 -1.03 0.00 0.00 54.13 54.12 2wrj s LEU 70 Cb 0.00 -3.54 0.72 0.00 0.03 0.00 0.00 46.19 43.39 2wrj s LEU 70 CO 0.03 -1.20 1.74 -0.61 0.23 0.00 0.00 176.35 176.54 2wrj h GLN 71 N 9.39 0.00 -6.30 1.70 5.75 -1.80 -3.37 115.11 120.49 2wrj h GLN 71 Ca -0.24 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.69 2wrj h GLN 71 Cb 1.08 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.60 2wrj h GLN 71 CO 1.09 0.06 1.11 0.34 -2.65 0.00 0.00 178.83 178.78 2wrj s ASP 72 N -6.05 6.39 0.14 -0.69 3.68 -1.26 -4.92 116.67 113.96 2wrj s ASP 72 Ca 0.04 1.54 -0.17 0.00 2.13 0.00 0.00 52.55 56.09 2wrj s ASP 72 Cb 0.07 -2.53 -0.02 0.00 -1.45 0.00 0.00 42.92 38.99 2wrj s ASP 72 CO 0.63 -1.26 1.77 0.58 0.13 0.00 0.00 175.17 177.02 2wrj h VAL 73 N 6.16 1.11 -0.47 1.11 2.07 -1.96 -2.16 116.25 122.09 2wrj h VAL 73 Ca -0.33 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2wrj h VAL 73 Cb 1.15 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2wrj h VAL 73 CO 1.01 0.11 0.24 0.50 0.02 0.00 0.00 177.57 179.45 2wrj h LYS 74 N 0.43 0.46 -0.95 1.57 1.63 -2.00 -2.37 116.57 115.34 2wrj h LYS 74 Ca 0.12 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2wrj h LYS 74 Cb 0.00 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 2wrj h LYS 74 CO -0.02 0.31 0.63 1.25 -3.45 0.00 0.00 179.45 178.16 2wrj h LEU 75 N 0.48 1.10 -0.40 5.20 7.12 -1.90 -1.49 115.31 125.41 2wrj h LEU 75 Ca 0.21 -0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.17 2wrj h LEU 75 Cb 0.11 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 39.95 2wrj h LEU 75 CO -0.14 0.80 0.20 1.62 -0.13 0.00 0.00 178.44 180.79 2wrj h VAL 76 N 1.29 1.16 -0.31 1.05 3.04 -0.89 -0.84 116.25 120.76 2wrj h VAL 76 Ca 0.35 -0.44 0.02 0.00 -1.01 0.00 0.00 66.70 65.62 2wrj h VAL 76 Cb -0.14 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 29.84 2wrj h VAL 76 CO -0.07 0.17 0.16 0.03 -1.01 0.00 0.00 177.57 176.85 2wrj h ARG 77 N 0.51 0.32 0.00 4.17 3.08 -1.08 1.28 114.38 122.66 2wrj h ARG 77 Ca 0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2wrj h ARG 77 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2wrj h ARG 77 CO -0.02 0.21 0.00 1.17 -1.07 0.00 0.00 179.97 180.26 2wrj n LYS 78 N -4.95 0.06 -0.11 0.04 4.81 -0.62 -0.42 118.16 116.97 2wrj n LYS 78 Ca -0.01 0.28 -0.20 0.00 -0.87 0.00 0.00 58.31 57.52 2wrj n LYS 78 Cb 0.07 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.53 2wrj n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2wrj n LEU 79 N -1.37 2.31 0.03 3.14 -0.00 0.15 -3.11 117.00 118.15 2wrj n LEU 79 Ca 0.03 0.09 -0.16 0.00 -0.00 0.00 0.00 56.01 55.97 2wrj n LEU 79 Cb 0.07 -0.73 -0.05 0.00 -0.00 0.00 0.00 43.42 42.71 2wrj n LEU 79 CO 0.06 0.68 0.21 -0.26 -0.00 0.00 0.00 177.39 178.07 2wrj h PHE 80 N -0.42 0.85 0.00 1.96 0.05 0.17 -0.32 116.94 119.23 2wrj h PHE 80 Ca -0.54 -0.42 0.00 0.00 3.82 0.00 0.00 57.97 60.83 2wrj h PHE 80 Cb 1.64 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 39.47 2wrj h PHE 80 CO -0.03 1.24 -0.73 -0.44 -0.18 0.00 0.00 178.31 178.17 2wrj h ASP 81 N 0.37 0.00 0.00 2.17 3.32 -0.95 -3.40 116.42 117.93 2wrj h ASP 81 Ca -0.08 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2wrj h ASP 81 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2wrj h ASP 81 CO 0.17 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.07 2wrj n GLU 82 N -2.78 0.00 0.00 3.56 1.02 -1.25 -4.74 120.64 116.45 2wrj n GLU 82 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2wrj n GLU 82 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 2wrj n GLU 82 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wrj n ILE 83 N -0.88 0.60 -0.03 -3.67 2.08 -1.18 -2.62 119.36 113.65 2wrj n ILE 83 Ca 0.00 0.50 -0.03 0.00 0.56 0.00 0.00 62.75 63.78 2wrj n ILE 83 Cb 0.00 -1.50 -0.01 0.00 -0.75 0.00 0.00 39.64 37.38 2wrj n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wrj n ALA 84 N -1.15 0.26 0.33 -1.39 0.00 -0.14 -4.34 120.51 114.09 2wrj n ALA 84 Ca 0.00 -0.33 0.14 0.00 0.00 0.00 0.00 53.44 53.24 2wrj n ALA 84 Cb 0.35 0.01 0.72 0.00 0.00 0.00 0.00 19.45 20.53 2wrj n ALA 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wrj h PRO 85 N -0.45 0.00 0.00 0.00 0.11 -1.72 -0.76 132.00 129.19 2wrj h PRO 85 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wrj h PRO 85 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 2wrj h PRO 85 CO 0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 2wrj n ARG 86 N -2.87 0.06 0.00 1.05 1.74 -1.16 -3.83 116.66 111.65 2wrj n ARG 86 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2wrj n ARG 86 Cb 0.46 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 2wrj n ARG 86 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2wrj n TYR 87 N -0.59 0.00 0.00 -1.55 4.01 -0.29 -4.96 117.16 113.78 2wrj n TYR 87 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2wrj n TYR 87 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2wrj n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2wrj n ARG 88 N -0.15 0.00 0.00 -0.72 0.00 -1.24 -3.44 116.66 111.10 2wrj n ARG 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wrj n ARG 88 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 32.46 30.53 2wrj n ARG 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wrj n ASP 89 N 0.00 3.77 -4.61 6.15 8.00 -1.26 -4.96 116.55 123.64 2wrj n ASP 89 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2wrj n ASP 89 Cb 0.00 0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 41.65 2wrj n ASP 89 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wrj s ARG 90 N -1.61 3.93 -0.86 -1.24 3.52 -1.22 -4.99 118.95 116.48 2wrj s ARG 90 Ca 0.00 0.57 -0.18 0.00 -0.13 0.00 0.00 55.73 55.99 2wrj s ARG 90 Cb 0.00 -3.74 0.14 0.00 -1.56 0.00 0.00 34.95 29.79 2wrj s ARG 90 CO 0.00 -0.73 1.01 -0.65 -0.81 0.00 0.00 175.30 174.12 2wrj s GLN 91 N 3.03 3.52 0.00 5.12 -0.21 -1.26 -4.95 119.66 124.92 2wrj s GLN 91 Ca 0.33 -1.81 0.00 0.00 0.02 0.00 0.00 55.36 53.90 2wrj s GLN 91 Cb -0.14 -4.72 0.00 0.00 1.00 0.00 0.00 33.01 29.15 2wrj s GLN 91 CO 0.14 -1.66 0.00 0.41 -2.12 0.00 0.00 175.29 172.06 2wrj n GLY 92 N 5.16 0.01 3.76 3.09 0.00 -1.26 -5.03 105.19 110.91 2wrj n GLY 92 Ca 0.17 -1.97 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 2wrj n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 93 N -0.23 -0.45 1.14 -0.02 0.00 -1.26 -4.86 105.19 99.52 2wrj n GLY 93 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 2wrj n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrj n TYR 94 N -4.26 0.69 -4.07 1.61 4.02 -1.26 -4.85 117.16 109.05 2wrj n TYR 94 Ca -0.25 -0.60 -0.09 0.00 -0.01 0.00 0.00 57.90 56.96 2wrj n TYR 94 Cb 0.66 -0.35 -0.10 0.00 -0.02 0.00 0.00 39.34 39.53 2wrj n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2wrj s THR 95 N -1.07 0.28 -0.05 -0.72 -1.32 -1.26 -4.13 115.64 107.37 2wrj s THR 95 Ca 0.14 -1.51 -0.03 0.00 -1.21 0.00 0.00 61.69 59.08 2wrj s THR 95 Cb 0.12 -1.11 0.02 0.00 -1.51 0.00 0.00 72.50 70.02 2wrj s THR 95 CO 0.03 -0.79 0.12 -0.60 -2.21 0.00 0.00 174.62 171.17 2wrj s ARG 96 N -3.02 0.11 -0.19 7.08 3.52 -0.92 -4.87 118.95 120.67 2wrj s ARG 96 Ca -0.00 0.22 -0.02 0.00 -0.13 0.00 0.00 55.73 55.80 2wrj s ARG 96 Cb 0.01 -0.02 0.06 0.00 -1.56 0.00 0.00 34.95 33.43 2wrj s ARG 96 CO -0.06 -0.07 0.01 0.08 -0.81 0.00 0.00 175.30 174.45 2wrj s VAL 97 N 0.44 0.73 -0.12 7.11 1.01 -1.25 -1.26 120.40 127.06 2wrj s VAL 97 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2wrj s VAL 97 Cb -0.05 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.21 2wrj s VAL 97 CO -0.02 -0.12 -0.16 -0.76 0.00 0.00 0.00 175.10 174.05 2wrj s LEU 98 N 1.77 1.75 0.09 3.92 1.43 -0.04 -4.90 118.68 122.70 2wrj s LEU 98 Ca -0.01 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.36 2wrj s LEU 98 Cb -0.17 -1.14 -0.06 0.00 0.03 0.00 0.00 46.19 44.85 2wrj s LEU 98 CO -0.07 0.00 0.87 -1.59 0.23 0.00 0.00 176.35 175.79 2wrj s LYS 99 N 1.09 4.61 0.36 1.70 0.00 -1.26 0.13 119.74 126.38 2wrj s LYS 99 Ca -0.04 1.28 0.07 0.00 0.00 0.00 0.00 55.97 57.28 2wrj s LYS 99 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 37.83 34.32 2wrj s LYS 99 CO -0.04 0.28 0.47 -0.51 0.00 0.00 0.00 175.35 175.55 2wrj s LEU 100 N -0.15 3.83 0.78 2.77 2.01 -1.23 -4.93 118.68 121.75 2wrj s LEU 100 Ca 0.42 -0.30 -0.11 0.00 0.01 0.00 0.00 54.13 54.15 2wrj s LEU 100 Cb -0.22 -2.64 0.07 0.00 0.01 0.00 0.00 46.19 43.41 2wrj s LEU 100 CO 0.27 -0.52 1.14 0.00 1.01 0.00 0.00 176.35 178.25 2wrj s ALA 101 N -2.25 2.78 0.21 4.21 0.00 -1.26 -4.70 121.76 120.75 2wrj s ALA 101 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2wrj s ALA 101 Cb -0.09 -2.89 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2wrj s ALA 101 CO 0.31 -1.55 0.00 0.39 0.00 0.00 0.00 175.76 174.91 2wrj n GLU 102 N -3.20 -2.29 -3.76 0.00 1.02 -1.26 -4.94 120.64 106.20 2wrj n GLU 102 Ca 0.08 1.68 -0.23 0.00 -0.02 0.00 0.00 57.16 58.66 2wrj n GLU 102 Cb 0.61 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 2wrj n GLU 102 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wrj s ARG 103 N -3.91 2.37 0.06 3.49 0.52 -1.26 -4.33 118.95 115.88 2wrj s ARG 103 Ca 0.00 -1.77 -0.31 0.00 -0.52 0.00 0.00 55.73 53.14 2wrj s ARG 103 Cb 0.00 -2.21 -0.07 0.00 0.52 0.00 0.00 34.95 33.18 2wrj s ARG 103 CO 0.00 -0.35 1.53 1.03 0.02 0.00 0.00 175.30 177.53 2wrj s ARG 104 N -4.16 4.24 -1.17 3.54 0.52 -0.98 -4.85 118.95 116.10 2wrj s ARG 104 Ca 0.42 2.18 -0.09 0.00 -0.52 0.00 0.00 55.73 57.73 2wrj s ARG 104 Cb -0.02 -3.50 -0.13 0.00 0.52 0.00 0.00 34.95 31.82 2wrj s ARG 104 CO 0.25 -0.63 3.08 0.54 0.02 0.00 0.00 175.30 178.55 2wrj n ARG 105 N 5.16 3.17 -0.18 3.54 1.74 -1.26 -2.45 116.66 126.38 2wrj n ARG 105 Ca 0.14 -1.85 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 2wrj n ARG 105 Cb 0.42 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.28 2wrj n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrj n GLY 106 N 3.31 0.82 0.00 -0.13 0.00 -1.26 -4.97 105.19 102.96 2wrj n GLY 106 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2wrj n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wrj n ASP 107 N 0.00 0.00 -0.70 1.61 3.85 -1.20 -5.01 116.55 115.10 2wrj n ASP 107 Ca 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 54.79 54.07 2wrj n ASP 107 Cb 0.41 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 2wrj n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2wrj n GLY 108 N 0.00 0.84 3.58 6.12 0.00 -1.03 -5.05 105.19 109.65 2wrj n GLY 108 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 2wrj n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 109 N -3.02 3.50 0.08 4.61 0.00 -1.26 -4.88 121.76 120.79 2wrj s ALA 109 Ca 0.03 -1.11 -0.31 0.00 0.00 0.00 0.00 51.96 50.57 2wrj s ALA 109 Cb -0.01 -2.46 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 2wrj s ALA 109 CO 0.03 -0.57 1.40 -1.25 0.00 0.00 0.00 175.76 175.38 2wrj s PRO 110 N 1.75 4.31 0.47 0.00 0.04 -1.26 -2.31 135.00 137.99 2wrj s PRO 110 Ca 0.07 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.21 2wrj s PRO 110 Cb -0.16 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.04 2wrj s PRO 110 CO 0.10 -0.49 0.65 -0.51 0.04 0.00 0.00 177.00 176.79 2wrj s LEU 111 N 1.55 3.52 0.00 -3.56 1.43 -1.26 -2.23 118.68 118.13 2wrj s LEU 111 Ca 0.65 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2wrj s LEU 111 Cb -0.35 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.14 2wrj s LEU 111 CO 0.29 -0.90 0.51 0.00 0.23 0.00 0.00 176.35 176.49 2wrj n ALA 112 N -2.03 -0.62 -2.62 4.21 0.00 0.17 -3.50 120.51 116.11 2wrj n ALA 112 Ca 0.08 -1.41 -0.21 0.00 0.00 0.00 0.00 53.44 51.90 2wrj n ALA 112 Cb 0.59 1.13 -0.14 0.00 0.00 0.00 0.00 19.45 21.03 2wrj n ALA 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wrj s LEU 113 N 0.00 2.11 -0.06 0.00 2.96 0.12 -3.00 118.68 120.81 2wrj s LEU 113 Ca 0.24 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 2wrj s LEU 113 Cb -0.02 -0.64 0.02 0.00 0.50 0.00 0.00 46.19 46.05 2wrj s LEU 113 CO 0.17 0.09 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.55 2wrj s VAL 114 N -0.63 0.66 0.13 1.68 1.01 -0.55 -0.86 120.40 121.84 2wrj s VAL 114 Ca 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2wrj s VAL 114 Cb -0.07 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2wrj s VAL 114 CO 0.01 0.27 -0.18 -0.70 0.00 0.00 0.00 175.10 174.50 2wrj s GLU 115 N 1.27 1.16 0.00 2.72 2.12 -0.39 -0.80 118.70 124.78 2wrj s GLU 115 Ca -0.05 -1.28 0.06 0.00 0.36 0.00 0.00 54.97 54.06 2wrj s GLU 115 Cb -0.14 -1.23 0.37 0.00 0.26 0.00 0.00 34.13 33.39 2wrj s GLU 115 CO -0.02 0.26 0.87 1.28 -0.54 0.00 0.00 175.26 177.11 2wrj n LEU 116 N 0.61 0.00 -1.32 2.70 4.77 -0.31 -2.16 117.00 121.30 2wrj n LEU 116 Ca -0.16 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 55.98 2wrj n LEU 116 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 2wrj n LEU 116 CO 0.26 0.00 -0.55 0.52 -1.33 0.00 0.00 177.39 176.30 2wrj n VAL 117 N -0.68 -0.64 0.00 4.08 0.31 -1.26 -4.67 118.33 115.47 2wrj n VAL 117 Ca 0.05 0.77 0.00 0.00 -0.01 0.00 0.00 64.34 65.14 2wrj n VAL 117 Cb 0.02 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 2wrj n VAL 117 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72