#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wro n ALA 4 N 0.00 0.00 0.50 6.98 0.00 -1.26 -4.84 120.51 121.89 2wro n ALA 4 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wro n ALA 4 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 2wro n ALA 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2wro h TYR 5 N 0.00 0.00 0.00 0.00 -1.99 -2.00 -3.36 116.97 109.62 2wro h TYR 5 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wro h TYR 5 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2wro h TYR 5 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 177.91 2wro n ASP 6 N -2.23 2.29 0.00 3.88 8.00 -1.26 -3.77 116.55 123.46 2wro n ASP 6 Ca 0.03 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.02 2wro n ASP 6 Cb 0.46 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2wro n ASP 6 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wro n VAL 7 N 1.53 0.00 -1.35 2.53 0.31 -1.26 -4.70 118.33 115.40 2wro n VAL 7 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 2wro n VAL 7 Cb 0.24 -0.32 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 2wro n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2wro n ILE 8 N -2.06 3.22 0.00 2.52 -0.00 -1.25 -3.34 119.36 118.45 2wro n ILE 8 Ca 0.00 -2.57 0.00 0.00 -0.00 0.00 0.00 62.75 60.18 2wro n ILE 8 Cb 0.30 -1.70 0.00 0.00 -0.00 0.00 0.00 39.64 38.24 2wro n ILE 8 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2wro n LEU 9 N 1.30 0.00 0.00 1.39 4.77 -1.22 -4.67 117.00 118.57 2wro n LEU 9 Ca 0.47 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.41 2wro n LEU 9 Cb 0.65 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.73 2wro n LEU 9 CO 0.27 0.00 -0.01 0.00 -1.33 0.00 0.00 177.39 176.32 2wro n ALA 10 N -3.06 0.10 -2.38 -1.18 0.00 -1.26 -5.04 120.51 107.69 2wro n ALA 10 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 2wro n ALA 10 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 2wro n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wro s PRO 11 N -2.23 2.57 0.00 0.00 0.04 -1.26 -3.32 135.00 130.79 2wro s PRO 11 Ca 0.07 -1.46 0.00 0.00 0.04 0.00 0.00 61.00 59.65 2wro s PRO 11 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2wro s PRO 11 CO 0.05 -0.04 0.64 1.33 0.04 0.00 0.00 177.00 179.02 2wro n VAL 12 N -1.41 0.00 -2.99 -0.36 0.24 -1.14 -4.60 118.33 108.07 2wro n VAL 12 Ca 0.00 1.10 -0.04 0.00 -2.04 0.00 0.00 64.34 63.35 2wro n VAL 12 Cb 0.61 -1.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 2wro n VAL 12 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wro n LEU 13 N -1.72 -7.17 0.00 1.34 4.77 -1.26 -4.94 117.00 108.02 2wro n LEU 13 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2wro n LEU 13 Cb 0.00 -3.31 0.00 0.00 -2.33 0.00 0.00 43.42 37.78 2wro n LEU 13 CO 0.00 -1.63 0.00 -1.54 -1.33 0.00 0.00 177.39 172.89 2wro n SER 14 N -1.13 0.00 0.00 -1.43 3.41 -1.26 -4.98 113.62 108.23 2wro n SER 14 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2wro n SER 14 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2wro n SER 14 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2wro n GLU 15 N -0.55 0.00 0.19 4.33 4.07 -1.26 -0.45 120.64 126.97 2wro n GLU 15 Ca 0.00 0.51 0.17 0.00 -0.06 0.00 0.00 57.16 57.78 2wro n GLU 15 Cb 0.00 -1.09 0.69 0.00 -0.06 0.00 0.00 31.44 30.98 2wro n GLU 15 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2wro h LYS 16 N 0.00 0.00 0.00 5.31 3.64 -1.98 -0.86 116.57 122.68 2wro h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wro h LYS 16 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2wro h LYS 16 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 2wro n ALA 17 N -2.07 -0.04 -0.16 5.00 0.00 0.41 -2.82 120.51 120.82 2wro n ALA 17 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 2wro n ALA 17 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2wro n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2wro h TYR 18 N 0.00 -0.83 -0.60 0.00 0.05 -1.05 0.15 116.97 114.70 2wro h TYR 18 Ca 0.00 0.06 0.19 0.00 0.05 0.00 0.00 58.73 59.03 2wro h TYR 18 Cb 0.00 0.44 -0.04 0.00 1.01 0.00 0.00 36.73 38.14 2wro h TYR 18 CO 0.02 -0.36 0.41 0.00 -1.05 0.00 0.00 178.16 177.18 2wro n ALA 19 N -3.07 0.58 0.48 3.88 0.00 -0.35 0.26 120.51 122.31 2wro n ALA 19 Ca 0.03 0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.86 2wro n ALA 19 Cb 0.34 -0.39 0.46 0.00 0.00 0.00 0.00 19.45 19.86 2wro n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wro h GLY 20 N 0.00 0.00 0.70 0.00 0.00 -0.52 -3.32 103.07 99.93 2wro h GLY 20 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2wro h GLY 20 CO -0.08 0.00 0.13 0.69 0.00 0.00 0.00 176.54 177.28 2wro n PHE 21 N -2.30 0.00 -0.29 5.60 0.99 0.73 -3.48 117.46 118.71 2wro n PHE 21 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.41 2wro n PHE 21 Cb 0.32 -0.11 -0.07 0.00 -1.00 0.00 0.00 39.48 38.62 2wro n PHE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wro h ALA 22 N 0.94 -0.38 -3.00 4.37 0.00 -1.79 -3.43 119.26 115.97 2wro h ALA 22 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wro h ALA 22 Cb 0.25 1.26 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2wro h ALA 22 CO 0.00 -0.67 0.00 0.39 0.00 0.00 0.00 179.25 178.97 2wro n GLU 23 N -4.56 3.64 -1.29 0.00 4.71 -1.23 -4.93 120.64 116.98 2wro n GLU 23 Ca 0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.76 2wro n GLU 23 Cb 0.18 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.58 2wro n GLU 23 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wro n GLY 24 N 5.00 3.33 2.73 0.62 0.00 -1.26 -4.78 105.19 110.84 2wro n GLY 24 Ca 0.00 -1.33 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 2wro n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 25 N 4.05 0.49 0.01 1.61 1.02 -1.23 -2.11 119.74 123.57 2wro s LYS 25 Ca 0.53 -0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.51 2wro s LYS 25 Cb 0.14 -1.30 -0.01 0.00 -0.52 0.00 0.00 37.83 36.14 2wro s LYS 25 CO 0.02 -0.43 -0.03 0.71 -0.92 0.00 0.00 175.35 174.70 2wro s TYR 26 N 1.98 0.27 -0.58 3.18 1.51 -1.25 -2.40 117.35 120.06 2wro s TYR 26 Ca 0.03 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2wro s TYR 26 Cb -0.14 -0.17 0.16 0.00 -0.11 0.00 0.00 41.96 41.69 2wro s TYR 26 CO -0.06 -0.06 0.39 0.95 -1.11 0.00 0.00 175.55 175.66 2wro s THR 27 N -0.58 2.19 0.29 -0.71 -4.23 -1.26 -2.26 115.64 109.07 2wro s THR 27 Ca -0.05 -3.58 0.09 0.00 -1.18 0.00 0.00 61.69 56.98 2wro s THR 27 Cb -0.04 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 2wro s THR 27 CO -0.00 -0.99 0.01 0.72 -0.54 0.00 0.00 174.62 173.82 2wro s PHE 28 N -0.72 2.66 0.93 3.99 -0.12 -1.03 -2.90 117.98 120.78 2wro s PHE 28 Ca 0.24 -0.28 -0.12 0.00 -0.05 0.00 0.00 56.93 56.71 2wro s PHE 28 Cb -0.10 -1.30 0.15 0.00 -0.63 0.00 0.00 43.02 41.14 2wro s PHE 28 CO -0.12 0.56 1.11 -1.58 -0.05 0.00 0.00 175.22 175.14 2wro s TRP 29 N -2.38 2.36 0.00 3.49 0.52 -1.21 -2.24 118.94 119.49 2wro s TRP 29 Ca 0.33 1.02 0.00 0.00 0.02 0.00 0.00 56.10 57.47 2wro s TRP 29 Cb -0.05 -3.26 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 2wro s TRP 29 CO 0.20 -2.49 0.00 1.33 0.02 0.00 0.00 176.95 176.01 2wro n VAL 30 N -3.90 0.00 -3.19 4.03 0.24 -0.40 -3.39 118.33 111.72 2wro n VAL 30 Ca 0.06 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.97 2wro n VAL 30 Cb 0.57 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.89 2wro n VAL 30 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2wro s HIS 31 N -3.27 3.52 0.00 6.34 2.46 -1.21 -4.46 115.29 118.66 2wro s HIS 31 Ca 0.00 1.03 0.00 0.00 0.47 0.00 0.00 55.06 56.56 2wro s HIS 31 Cb 0.00 -2.67 0.00 0.00 -0.13 0.00 0.00 32.58 29.78 2wro s HIS 31 CO 0.00 0.10 0.33 -2.30 -2.47 0.00 0.00 174.74 170.40 2wro n PRO 32 N 3.85 0.00 -1.72 2.88 -0.02 -1.26 -1.86 135.00 136.87 2wro n PRO 32 Ca -0.04 0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 2wro n PRO 32 Cb 0.51 -0.51 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 2wro n PRO 32 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wro n LYS 33 N -2.04 3.51 -3.96 -0.52 4.76 -1.26 -4.85 118.16 113.80 2wro n LYS 33 Ca 0.00 -2.74 -0.32 0.00 -2.87 0.00 0.00 58.31 52.39 2wro n LYS 33 Cb 0.00 -2.97 -0.14 0.00 -1.84 0.00 0.00 35.03 30.08 2wro n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wro s ALA 34 N 1.78 3.07 0.51 7.82 0.00 -0.78 -5.10 121.76 129.06 2wro s ALA 34 Ca 0.54 -2.78 -0.18 0.00 0.00 0.00 0.00 51.96 49.54 2wro s ALA 34 Cb 0.15 -2.10 -0.14 0.00 0.00 0.00 0.00 23.12 21.03 2wro s ALA 34 CO -0.07 -1.81 0.03 2.41 0.00 0.00 0.00 175.76 176.32 2wro n THR 35 N 3.93 0.51 1.27 0.00 -1.04 -1.26 -4.61 114.28 113.07 2wro n THR 35 Ca 0.04 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.58 2wro n THR 35 Cb 0.39 -0.14 0.09 0.00 -1.82 0.00 0.00 70.33 68.85 2wro n THR 35 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2wro n LYS 36 N 1.18 1.52 -0.11 -2.82 2.85 -1.26 0.11 118.16 119.63 2wro n LYS 36 Ca 0.09 -0.71 -0.14 0.00 -1.05 0.00 0.00 58.31 56.50 2wro n LYS 36 Cb 0.47 -1.22 -0.12 0.00 -0.65 0.00 0.00 35.03 33.50 2wro n LYS 36 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2wro n THR 37 N 0.08 1.34 -0.05 0.58 -1.04 -1.26 -3.59 114.28 110.33 2wro n THR 37 Ca 0.07 -0.60 -0.16 0.00 -2.04 0.00 0.00 64.05 61.32 2wro n THR 37 Cb 0.21 -1.10 -0.06 0.00 -1.82 0.00 0.00 70.33 67.55 2wro n THR 37 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2wro h GLU 38 N 0.00 0.72 0.00 -2.82 5.08 -1.76 -2.75 114.58 113.04 2wro h GLU 38 Ca -0.52 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.33 2wro h GLU 38 Cb 1.92 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2wro h GLU 38 CO -0.05 1.13 0.44 0.82 -1.00 0.00 0.00 179.01 180.35 2wro h ILE 39 N 0.43 0.00 0.00 3.13 1.08 -0.47 -1.24 117.51 120.43 2wro h ILE 39 Ca -0.01 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.30 2wro h ILE 39 Cb 1.16 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2wro h ILE 39 CO 0.12 0.00 -1.41 1.17 -0.69 0.00 0.00 178.15 177.33 2wro n LYS 40 N -2.49 0.43 0.00 2.37 4.81 -1.08 -4.35 118.16 117.85 2wro n LYS 40 Ca -0.01 0.18 0.04 0.00 -0.87 0.00 0.00 58.31 57.65 2wro n LYS 40 Cb 0.47 -1.24 0.23 0.00 0.02 0.00 0.00 35.03 34.51 2wro n LYS 40 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wro n ASN 41 N -4.11 0.00 -0.11 3.14 5.03 -1.06 -0.25 115.26 117.90 2wro n ASN 41 Ca -0.25 -0.45 0.04 0.00 0.87 0.00 0.00 54.58 54.79 2wro n ASN 41 Cb 0.58 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.31 2wro n ASN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wro n ALA 42 N -0.85 2.98 -0.19 5.41 0.00 -0.49 -4.18 120.51 123.19 2wro n ALA 42 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2wro n ALA 42 Cb 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2wro n ALA 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wro n VAL 43 N -0.74 0.13 0.82 0.00 0.31 0.32 -3.82 118.33 115.34 2wro n VAL 43 Ca 0.03 -0.47 0.08 0.00 -0.01 0.00 0.00 64.34 63.97 2wro n VAL 43 Cb 0.17 1.10 -0.06 0.00 -0.91 0.00 0.00 33.84 34.13 2wro n VAL 43 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wro n GLU 44 N -0.07 1.37 -0.03 5.55 2.13 0.66 -3.54 120.64 126.71 2wro n GLU 44 Ca 0.00 -0.32 -0.04 0.00 0.66 0.00 0.00 57.16 57.46 2wro n GLU 44 Cb 0.09 -1.33 -0.01 0.00 0.27 0.00 0.00 31.44 30.46 2wro n GLU 44 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2wro n THR 45 N -0.93 0.84 0.06 6.31 -2.24 -1.26 -4.41 114.28 112.65 2wro n THR 45 Ca 0.05 0.27 0.04 0.00 -2.27 0.00 0.00 64.05 62.14 2wro n THR 45 Cb 0.31 -1.80 0.22 0.00 -2.10 0.00 0.00 70.33 66.96 2wro n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wro n ALA 46 N -3.49 1.01 -3.68 6.98 0.00 -1.25 -4.26 120.51 115.82 2wro n ALA 46 Ca -0.06 0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 2wro n ALA 46 Cb 0.21 -1.11 -0.18 0.00 0.00 0.00 0.00 19.45 18.37 2wro n ALA 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2wro s PHE 47 N -3.20 0.11 -1.04 0.00 0.40 -1.23 -5.03 117.98 107.99 2wro s PHE 47 Ca -0.01 0.22 -0.23 0.00 -0.60 0.00 0.00 56.93 56.31 2wro s PHE 47 Cb 0.02 -0.50 -0.00 0.00 0.51 0.00 0.00 43.02 43.05 2wro s PHE 47 CO 0.07 -0.20 1.74 0.15 0.70 0.00 0.00 175.22 177.69 2wro s LYS 48 N 2.09 3.11 0.00 0.44 1.02 -1.26 -3.95 119.74 121.19 2wro s LYS 48 Ca 0.04 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.08 2wro s LYS 48 Cb -0.12 -5.26 0.00 0.00 -0.52 0.00 0.00 37.83 31.93 2wro s LYS 48 CO -0.03 -2.90 0.00 1.33 -0.92 0.00 0.00 175.35 172.83 2wro n VAL 49 N 7.32 0.00 -3.49 3.17 0.24 -1.26 -5.03 118.33 119.28 2wro n VAL 49 Ca 0.40 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.72 2wro n VAL 49 Cb 0.48 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 2wro n VAL 49 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2wro s LYS 50 N 4.84 0.11 0.30 7.34 2.20 -1.26 -4.88 119.74 128.39 2wro s LYS 50 Ca 0.00 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.72 2wro s LYS 50 Cb 0.00 0.07 -0.08 0.00 -1.51 0.00 0.00 37.83 36.32 2wro s LYS 50 CO 0.00 -0.03 0.65 0.08 -0.36 0.00 0.00 175.35 175.70 2wro s VAL 51 N 1.52 4.82 0.00 4.02 1.01 -1.26 -1.39 120.40 129.11 2wro s VAL 51 Ca -0.05 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2wro s VAL 51 Cb -0.02 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2wro s VAL 51 CO -0.13 -0.20 0.00 0.52 0.00 0.00 0.00 175.10 175.29 2wro n VAL 52 N -0.47 0.00 -3.89 2.92 0.31 0.60 -4.88 118.33 112.93 2wro n VAL 52 Ca 0.02 0.05 -0.31 0.00 -0.01 0.00 0.00 64.34 64.08 2wro n VAL 52 Cb 0.53 -1.02 -0.13 0.00 -0.91 0.00 0.00 33.84 32.32 2wro n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wro s LYS 53 N -0.10 2.18 0.66 5.55 2.47 -1.25 -4.97 119.74 124.28 2wro s LYS 53 Ca 0.00 -2.69 -0.14 0.00 -1.56 0.00 0.00 55.97 51.58 2wro s LYS 53 Cb 0.00 -3.44 -0.00 0.00 -1.46 0.00 0.00 37.83 32.93 2wro s LYS 53 CO 0.00 -1.14 1.09 0.08 0.16 0.00 0.00 175.35 175.54 2wro s VAL 54 N -0.38 3.45 -0.00 4.02 1.01 -1.26 -4.14 120.40 123.10 2wro s VAL 54 Ca 0.18 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 2wro s VAL 54 Cb -0.23 -3.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2wro s VAL 54 CO -0.02 -0.46 0.01 0.20 0.00 0.00 0.00 175.10 174.83 2wro s ASN 55 N -2.84 0.03 0.11 3.32 0.02 -1.14 -5.01 114.94 109.42 2wro s ASN 55 Ca 0.65 -0.07 -0.00 0.00 -1.02 0.00 0.00 52.86 52.42 2wro s ASN 55 Cb -0.18 0.06 -0.04 0.00 0.02 0.00 0.00 41.25 41.10 2wro s ASN 55 CO 0.43 -0.07 -0.00 0.42 0.02 0.00 0.00 177.10 177.90 2wro s THR 56 N -0.31 0.35 -0.29 1.60 -4.23 -1.26 -1.96 115.64 109.54 2wro s THR 56 Ca -0.03 -1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 2wro s THR 56 Cb -0.02 -1.83 0.17 0.00 1.34 0.00 0.00 72.50 72.16 2wro s THR 56 CO -0.00 -0.71 1.09 -1.48 -0.54 0.00 0.00 174.62 172.97 2wro s LEU 57 N -3.03 -0.34 1.02 4.79 -0.00 -0.89 -5.03 118.68 115.20 2wro s LEU 57 Ca 0.16 0.54 -0.11 0.00 -0.00 0.00 0.00 54.13 54.72 2wro s LEU 57 Cb 0.07 1.48 0.20 0.00 -0.00 0.00 0.00 46.19 47.95 2wro s LEU 57 CO -0.03 -0.08 1.09 -1.00 -0.00 0.00 0.00 176.35 176.33 2wro s HIS 58 N 1.35 1.60 -0.24 3.48 3.76 -1.26 -2.98 115.29 120.99 2wro s HIS 58 Ca -0.08 1.47 -0.09 0.00 -0.15 0.00 0.00 55.06 56.22 2wro s HIS 58 Cb -0.03 -3.21 0.10 0.00 1.11 0.00 0.00 32.58 30.55 2wro s HIS 58 CO -0.13 -3.20 0.52 0.08 -0.85 0.00 0.00 174.74 171.16 2wro s VAL 59 N -2.61 -0.69 -0.23 -0.90 1.01 -0.70 -4.85 120.40 111.42 2wro s VAL 59 Ca 0.67 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 2wro s VAL 59 Cb -0.23 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2wro s VAL 59 CO 0.61 0.04 0.82 -0.60 0.00 0.00 0.00 175.10 175.97 2wro s ARG 60 N 2.56 4.20 0.44 2.72 3.52 -1.26 -1.91 118.95 129.22 2wro s ARG 60 Ca -0.04 0.94 -0.25 0.00 -0.13 0.00 0.00 55.73 56.25 2wro s ARG 60 Cb -0.11 -3.64 -0.08 0.00 -1.56 0.00 0.00 34.95 29.56 2wro s ARG 60 CO -0.16 -0.49 1.32 0.20 -0.81 0.00 0.00 175.30 175.37 2wro s GLY 61 N 1.32 2.90 1.02 8.12 0.00 -1.23 -4.94 107.32 114.51 2wro s GLY 61 Ca 0.35 1.27 -0.24 0.00 0.00 0.00 0.00 44.72 46.10 2wro s GLY 61 CO 0.08 1.83 -1.03 0.28 0.00 0.00 0.00 173.10 174.26 2wro n LYS 62 N -0.20 -0.33 -4.07 2.90 5.02 -1.26 -4.27 118.16 115.95 2wro n LYS 62 Ca 0.05 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.91 2wro n LYS 62 Cb 0.44 -1.18 -0.10 0.00 -0.02 0.00 0.00 35.03 34.16 2wro n LYS 62 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2wro s LYS 63 N -2.37 3.90 0.28 1.97 2.20 -1.26 -2.38 119.74 122.08 2wro s LYS 63 Ca 0.42 -0.38 0.07 0.00 -0.36 0.00 0.00 55.97 55.71 2wro s LYS 63 Cb -0.00 -3.16 -0.06 0.00 -1.51 0.00 0.00 37.83 33.10 2wro s LYS 63 CO 0.69 0.24 -0.06 0.15 -0.36 0.00 0.00 175.35 176.01 2wro s LYS 64 N 0.43 1.54 0.00 4.03 1.02 -1.19 -4.97 119.74 120.59 2wro s LYS 64 Ca 0.02 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.23 2wro s LYS 64 Cb -0.13 -1.15 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 2wro s LYS 64 CO 0.01 0.04 0.00 -2.13 -0.92 0.00 0.00 175.35 172.35 2wro n ARG 65 N -0.57 0.34 0.00 1.68 0.63 -1.26 -0.47 116.66 117.01 2wro n ARG 65 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2wro n ARG 65 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 2wro n ARG 65 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2wro n LEU 66 N 0.00 0.00 0.00 6.15 0.00 -1.13 -4.93 117.00 117.09 2wro n LEU 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2wro n LEU 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2wro n LEU 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 2wro n GLY 67 N 0.00 2.20 0.35 -3.96 0.00 -1.26 -2.55 105.19 99.97 2wro n GLY 67 Ca 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.66 2wro n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wro n ARG 68 N 12.49 1.06 -3.30 1.61 -4.01 -1.26 -4.92 116.66 118.34 2wro n ARG 68 Ca 0.00 -1.28 -0.44 0.00 -1.04 0.00 0.00 57.85 55.10 2wro n ARG 68 Cb 0.00 -1.16 -0.07 0.00 -3.04 0.00 0.00 32.46 28.19 2wro n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 2wro s TYR 69 N -0.76 3.16 -0.12 2.89 1.51 -1.06 -5.06 117.35 117.92 2wro s TYR 69 Ca 0.11 -0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 55.45 2wro s TYR 69 Cb 0.07 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 2wro s TYR 69 CO 0.10 -0.85 0.04 -1.17 -1.11 0.00 0.00 175.55 172.56 2wro s LEU 70 N 2.07 3.75 0.00 -1.29 0.20 -1.26 -2.82 118.68 119.33 2wro s LEU 70 Ca 0.09 0.17 0.00 0.00 0.69 0.00 0.00 54.13 55.08 2wro s LEU 70 Cb -0.21 -1.89 0.00 0.00 -0.43 0.00 0.00 46.19 43.66 2wro s LEU 70 CO 0.10 0.33 0.00 0.61 -0.29 0.00 0.00 176.35 177.09 2wro n GLY 71 N 2.51 4.72 3.19 7.98 0.00 0.38 -4.99 105.19 118.98 2wro n GLY 71 Ca -0.18 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 2wro n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wro s LYS 72 N 2.12 0.35 -0.12 1.61 1.02 -1.26 -3.20 119.74 120.26 2wro s LYS 72 Ca 0.00 0.48 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 2wro s LYS 72 Cb 0.00 0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 2wro s LYS 72 CO 0.00 -0.07 1.33 1.03 -0.92 0.00 0.00 175.35 176.72 2wro s ARG 73 N 0.41 4.24 -0.05 1.68 0.52 -1.00 -4.90 118.95 119.85 2wro s ARG 73 Ca -0.02 1.77 -0.32 0.00 -0.52 0.00 0.00 55.73 56.65 2wro s ARG 73 Cb -0.04 -3.77 -0.16 0.00 0.52 0.00 0.00 34.95 31.51 2wro s ARG 73 CO -0.02 -0.70 0.89 -0.35 0.02 0.00 0.00 175.30 175.14 2wro n PRO 74 N 6.47 0.00 -2.71 3.54 -0.04 -1.26 -3.56 135.00 137.43 2wro n PRO 74 Ca 0.14 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.20 2wro n PRO 74 Cb 0.45 -1.17 -0.06 0.00 -0.04 0.00 0.00 33.50 32.68 2wro n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wro s ASP 75 N 0.30 7.60 0.09 3.54 1.11 -1.26 -4.21 116.67 123.83 2wro s ASP 75 Ca 0.72 1.99 0.01 0.00 0.18 0.00 0.00 52.55 55.45 2wro s ASP 75 Cb -1.01 -2.61 -0.00 0.00 1.07 0.00 0.00 42.92 40.36 2wro s ASP 75 CO 0.47 0.12 0.03 0.54 1.18 0.00 0.00 175.17 177.50 2wro n ARG 76 N 1.47 0.97 -4.57 8.23 3.00 -0.80 -4.93 116.66 120.03 2wro n ARG 76 Ca -0.02 -0.76 -0.22 0.00 -0.01 0.00 0.00 57.85 56.84 2wro n ARG 76 Cb 0.47 0.38 -0.16 0.00 0.00 0.00 0.00 32.46 33.16 2wro n ARG 76 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2wro s LYS 77 N -2.35 1.24 0.17 5.56 2.20 -1.26 -1.73 119.74 123.57 2wro s LYS 77 Ca 0.04 -0.44 0.07 0.00 -0.36 0.00 0.00 55.97 55.28 2wro s LYS 77 Cb 0.00 -1.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.15 2wro s LYS 77 CO 0.03 0.19 -0.14 -1.59 -0.36 0.00 0.00 175.35 173.48 2wro s LYS 78 N 0.03 1.21 -0.05 4.03 -2.85 -1.16 -1.27 119.74 119.68 2wro s LYS 78 Ca -0.01 -1.48 -0.30 0.00 -1.00 0.00 0.00 55.97 53.17 2wro s LYS 78 Cb -0.09 -0.98 0.08 0.00 -2.06 0.00 0.00 37.83 34.78 2wro s LYS 78 CO 0.01 0.16 0.72 0.00 0.10 0.00 0.00 175.35 176.34 2wro s ALA 79 N -2.85 -1.78 0.13 0.59 0.00 -0.95 -2.10 121.76 114.79 2wro s ALA 79 Ca 0.18 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.45 2wro s ALA 79 Cb -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2wro s ALA 79 CO 0.05 -0.39 0.28 0.96 0.00 0.00 0.00 175.76 176.66 2wro s ILE 80 N -1.36 5.32 -0.12 0.00 -4.36 -0.83 -2.47 121.20 117.38 2wro s ILE 80 Ca -0.09 -0.49 -0.00 0.00 -0.26 0.00 0.00 60.65 59.81 2wro s ILE 80 Cb -0.00 -3.70 0.03 0.00 1.25 0.00 0.00 42.46 40.04 2wro s ILE 80 CO 0.07 -0.02 -0.08 0.68 0.24 0.00 0.00 174.94 175.83 2wro s VAL 81 N -1.68 1.05 -0.72 8.37 -7.23 -0.96 -2.90 120.40 116.33 2wro s VAL 81 Ca 0.36 -0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 60.00 2wro s VAL 81 Cb -0.12 -1.07 0.09 0.00 0.56 0.00 0.00 36.38 35.83 2wro s VAL 81 CO 0.28 0.36 0.99 -1.58 -0.31 0.00 0.00 175.10 174.84 2wro s GLN 82 N 1.70 3.22 0.30 4.82 2.00 -1.09 -3.54 119.66 127.07 2wro s GLN 82 Ca 0.05 -1.07 -0.24 0.00 -2.00 0.00 0.00 55.36 52.09 2wro s GLN 82 Cb -0.13 -4.40 -0.10 0.00 0.80 0.00 0.00 33.01 29.19 2wro s GLN 82 CO -0.08 -1.80 0.89 0.08 -0.50 0.00 0.00 175.29 173.88 2wro s VAL 83 N 3.69 4.30 0.61 1.34 1.01 -0.90 0.22 120.40 130.68 2wro s VAL 83 Ca 0.24 1.69 -0.18 0.00 0.00 0.00 0.00 61.98 63.73 2wro s VAL 83 Cb -0.14 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.14 2wro s VAL 83 CO 0.05 0.14 -0.12 0.00 0.00 0.00 0.00 175.10 175.17 2wro n ALA 84 N 0.55 -3.15 -1.74 5.51 0.00 -0.49 -4.31 120.51 116.89 2wro n ALA 84 Ca 0.01 -0.16 -0.37 0.00 0.00 0.00 0.00 53.44 52.92 2wro n ALA 84 Cb 0.50 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.57 2wro n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wro s PRO 85 N -1.42 2.68 0.00 0.00 0.04 -1.26 -3.05 135.00 131.99 2wro s PRO 85 Ca 0.56 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2wro s PRO 85 Cb -0.43 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2wro s PRO 85 CO 0.67 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.61 2wro n GLY 86 N 0.85 1.45 3.67 0.56 0.00 -1.26 -4.92 105.19 105.53 2wro n GLY 86 Ca 0.15 -0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 2wro n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wro n GLN 87 N 0.00 2.12 -3.61 1.61 6.02 -1.17 -4.95 117.38 117.40 2wro n GLN 87 Ca 0.00 0.77 -0.22 0.00 -0.01 0.00 0.00 57.00 57.54 2wro n GLN 87 Cb 0.00 -2.54 -0.16 0.00 1.02 0.00 0.00 30.24 28.56 2wro n GLN 87 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2wro s LYS 88 N 1.35 0.06 -0.44 -1.09 -2.85 -1.26 -4.77 119.74 110.73 2wro s LYS 88 Ca 0.81 0.18 -0.27 0.00 -1.00 0.00 0.00 55.97 55.69 2wro s LYS 88 Cb -0.69 -1.17 -0.04 0.00 -2.06 0.00 0.00 37.83 33.86 2wro s LYS 88 CO 0.40 -0.54 2.12 0.42 0.10 0.00 0.00 175.35 177.85 2wro s ILE 89 N 2.21 3.19 0.05 3.79 1.01 -1.26 -4.82 121.20 125.36 2wro s ILE 89 Ca 0.04 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.92 2wro s ILE 89 Cb -0.14 -3.38 -0.22 0.00 0.01 0.00 0.00 42.46 38.73 2wro s ILE 89 CO -0.08 -0.32 1.00 -0.33 0.00 0.00 0.00 174.94 175.21 2wro h GLU 90 N 16.33 0.01 -0.62 2.79 4.39 -1.99 -3.00 114.58 132.49 2wro h GLU 90 Ca -0.29 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.49 2wro h GLU 90 Cb 1.22 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.80 2wro h GLU 90 CO 1.12 0.80 0.20 0.00 -1.16 0.00 0.00 179.01 179.96 2wro h ALA 91 N 0.97 0.79 0.03 3.43 0.00 -2.07 -2.87 119.26 119.54 2wro h ALA 91 Ca -0.14 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wro h ALA 91 Cb 1.88 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2wro h ALA 91 CO 0.11 -0.23 -0.02 -0.07 0.00 0.00 0.00 179.25 179.04 2wro h LEU 92 N 0.36 -0.04 -8.11 0.00 3.38 -1.98 -3.43 115.31 105.49 2wro h LEU 92 Ca 0.32 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 2wro h LEU 92 Cb 0.44 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2wro h LEU 92 CO -0.35 0.65 0.60 -0.62 0.09 0.00 0.00 178.44 178.81 2wro n GLU 93 N -4.78 0.17 0.08 1.13 1.02 -1.09 -3.69 120.64 113.47 2wro n GLU 93 Ca -0.09 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 2wro n GLU 93 Cb 0.33 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.08 2wro n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wro n GLY 94 N 5.79 -1.82 0.00 0.62 0.00 -1.26 -4.92 105.19 103.60 2wro n GLY 94 Ca 0.37 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2wro n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36