#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwv s SER 2 N 0.00 7.07 -0.01 1.61 0.15 -1.26 -5.02 113.70 116.24 1wwv s SER 2 Ca 0.00 1.47 0.01 0.00 0.70 0.00 0.00 55.95 58.12 1wwv s SER 2 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1wwv s SER 2 CO 0.00 -0.68 -0.02 -0.44 1.20 0.00 0.00 173.24 173.30 1wwv s SER 3 N 1.38 0.42 -0.36 5.45 0.01 -1.26 -5.05 113.70 114.30 1wwv s SER 3 Ca 0.47 -0.05 0.12 0.00 1.31 0.00 0.00 55.95 57.79 1wwv s SER 3 Cb -0.17 -0.13 0.41 0.00 0.21 0.00 0.00 66.02 66.34 1wwv s SER 3 CO 0.09 -0.01 1.40 0.61 0.41 0.00 0.00 173.24 175.74 1wwv n GLY 4 N 3.45 1.66 3.39 3.44 0.00 -1.26 -5.13 105.19 110.73 1wwv n GLY 4 Ca -0.18 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1wwv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwv s SER 5 N -1.39 -0.43 -0.12 1.61 1.04 -1.26 -5.09 113.70 108.06 1wwv s SER 5 Ca 0.17 0.12 -0.10 0.00 0.48 0.00 0.00 55.95 56.63 1wwv s SER 5 Cb 0.42 0.50 -0.08 0.00 0.10 0.00 0.00 66.02 66.96 1wwv s SER 5 CO -0.10 -0.75 0.22 -1.28 0.98 0.00 0.00 173.24 172.31 1wwv h SER 6 N 2.69 0.00 -4.22 7.02 0.87 -2.04 -3.48 113.55 114.39 1wwv h SER 6 Ca -0.31 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 59.83 1wwv h SER 6 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1wwv h SER 6 CO 0.41 0.69 -0.04 0.61 -0.53 0.00 0.00 176.83 177.98 1wwv n GLY 7 N 1.71 2.56 3.43 5.77 0.00 -1.26 -5.04 105.19 112.36 1wwv n GLY 7 Ca -0.04 -2.18 -0.49 0.00 0.00 0.00 0.00 46.02 43.30 1wwv n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wwv n MET 8 N -0.97 0.09 -1.76 1.61 0.00 -1.26 -4.81 117.12 110.01 1wwv n MET 8 Ca 0.01 0.03 -0.41 0.00 -0.00 0.00 0.00 57.70 57.33 1wwv n MET 8 Cb 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 33.22 32.22 1wwv n MET 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1wwv n GLU 9 N 1.07 2.50 -2.18 2.12 2.13 -1.26 -4.92 120.64 120.10 1wwv n GLU 9 Ca 0.18 0.88 -0.42 0.00 0.66 0.00 0.00 57.16 58.45 1wwv n GLU 9 Cb 0.23 -2.61 -0.03 0.00 0.27 0.00 0.00 31.44 29.30 1wwv n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1wwv s PRO 10 N -2.15 4.27 0.61 5.31 0.04 -1.26 -4.89 135.00 136.94 1wwv s PRO 10 Ca 0.55 2.02 0.30 0.00 0.04 0.00 0.00 61.00 63.91 1wwv s PRO 10 Cb -0.48 -3.56 1.63 0.00 0.04 0.00 0.00 34.50 32.13 1wwv s PRO 10 CO 0.62 -0.59 2.01 0.28 0.04 0.00 0.00 177.00 179.36 1wwv h VAL 11 N 4.87 0.30 0.00 -0.36 2.07 -1.91 0.22 116.25 121.44 1wwv h VAL 11 Ca -0.39 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1wwv h VAL 11 Cb 1.18 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1wwv h VAL 11 CO 0.90 0.00 -0.06 1.05 0.02 0.00 0.00 177.57 179.49 1wwv h GLU 12 N 0.00 0.00 0.00 1.57 4.11 -1.90 -1.65 114.58 116.71 1wwv h GLU 12 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1wwv h GLU 12 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1wwv h GLU 12 CO -0.00 0.06 -1.29 0.25 0.07 0.00 0.00 179.01 178.10 1wwv n THR 13 N -3.47 0.02 -1.57 -1.06 -2.24 0.77 0.22 114.28 106.95 1wwv n THR 13 Ca -0.02 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1wwv n THR 13 Cb 0.18 0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1wwv n THR 13 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1wwv n TRP 14 N -1.77 0.85 -1.97 4.78 7.02 -0.62 -4.74 117.44 120.98 1wwv n TRP 14 Ca 0.01 0.64 -0.34 0.00 -1.02 0.00 0.00 57.50 56.79 1wwv n TRP 14 Cb 0.41 -2.18 0.03 0.00 -2.42 0.00 0.00 31.31 27.15 1wwv n TRP 14 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1wwv s THR 15 N -1.22 3.19 -2.00 -0.99 -4.23 -1.26 -0.07 115.64 109.07 1wwv s THR 15 Ca 0.61 0.63 0.09 0.00 -1.18 0.00 0.00 61.69 61.85 1wwv s THR 15 Cb -0.63 -3.18 0.25 0.00 1.34 0.00 0.00 72.50 70.28 1wwv s THR 15 CO 0.58 -0.26 0.97 -0.81 -0.54 0.00 0.00 174.62 174.56 1wwv n PRO 16 N -1.93 0.49 -0.00 3.99 -0.04 -1.26 -2.10 135.00 134.15 1wwv n PRO 16 Ca 0.11 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1wwv n PRO 16 Cb 0.51 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 1wwv n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wwv n GLY 17 N -0.02 -0.42 0.12 0.55 0.00 -1.26 -3.92 105.19 100.24 1wwv n GLY 17 Ca 0.07 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1wwv n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wwv n LYS 18 N -1.49 0.64 -0.56 1.61 5.02 -0.89 -4.18 118.16 118.31 1wwv n LYS 18 Ca 0.01 0.40 0.45 0.00 -2.02 0.00 0.00 58.31 57.16 1wwv n LYS 18 Cb 0.26 -1.69 0.75 0.00 -0.02 0.00 0.00 35.03 34.32 1wwv n LYS 18 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wwv h VAL 19 N -0.56 0.09 -0.77 -0.18 2.07 -1.80 0.75 116.25 115.84 1wwv h VAL 19 Ca -0.43 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.17 1wwv h VAL 19 Cb 1.63 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 1wwv h VAL 19 CO -0.12 0.01 0.42 0.00 0.02 0.00 0.00 177.57 177.89 1wwv h ALA 20 N 1.31 1.09 0.20 1.67 0.00 -1.83 0.29 119.26 121.98 1wwv h ALA 20 Ca 0.86 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.80 1wwv h ALA 20 Cb 3.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.83 1wwv h ALA 20 CO -0.19 0.02 -0.10 1.15 0.00 0.00 0.00 179.25 180.14 1wwv h THR 21 N 0.70 0.88 -0.14 0.00 2.02 0.28 -0.64 112.91 116.01 1wwv h THR 21 Ca 0.38 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.76 1wwv h THR 21 Cb 0.37 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1wwv h THR 21 CO -0.26 0.18 0.11 -0.25 0.37 0.00 0.00 175.52 175.67 1wwv h TRP 22 N -0.71 0.00 0.14 3.16 7.01 -1.39 -1.17 115.95 122.99 1wwv h TRP 22 Ca -0.03 0.00 -0.28 0.00 2.11 0.00 0.00 58.89 60.69 1wwv h TRP 22 Cb 0.49 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1wwv h TRP 22 CO 0.05 0.00 -1.26 -0.07 -2.79 0.00 0.00 178.44 174.37 1wwv h LEU 23 N 0.00 0.56 -1.19 0.65 3.38 -0.35 -2.93 115.31 115.43 1wwv h LEU 23 Ca 0.07 -0.57 -0.08 0.00 0.09 0.00 0.00 57.88 57.38 1wwv h LEU 23 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1wwv h LEU 23 CO -0.00 1.43 -0.38 -0.09 0.09 0.00 0.00 178.44 179.49 1wwv h ARG 24 N 0.12 0.04 0.00 1.13 1.12 0.04 -2.85 114.38 113.99 1wwv h ARG 24 Ca -0.16 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.55 1wwv h ARG 24 Cb 1.97 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.90 1wwv h ARG 24 CO 0.22 0.42 -0.74 0.78 -3.11 0.00 0.00 179.97 177.54 1wwv h GLY 25 N 1.16 0.00 -0.67 2.80 0.00 -1.35 -3.37 103.07 101.64 1wwv h GLY 25 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1wwv h GLY 25 CO 0.05 0.00 -0.40 1.04 0.00 0.00 0.00 176.54 177.23 1wwv n LEU 26 N -3.25 -0.71 -3.71 3.11 4.77 -1.07 -4.74 117.00 111.39 1wwv n LEU 26 Ca 0.00 1.52 -0.11 0.00 -0.03 0.00 0.00 56.01 57.40 1wwv n LEU 26 Cb 0.82 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1wwv n LEU 26 CO 0.43 -1.14 0.08 -1.81 -1.33 0.00 0.00 177.39 173.62 1wwv s ASP 27 N -4.68 -0.17 0.47 -1.43 1.01 -1.26 -5.03 116.67 105.58 1wwv s ASP 27 Ca -0.08 -0.22 0.27 0.00 0.71 0.00 0.00 52.55 53.23 1wwv s ASP 27 Cb 0.07 0.40 0.86 0.00 1.01 0.00 0.00 42.92 45.27 1wwv s ASP 27 CO 0.42 -0.69 1.80 -0.78 0.21 0.00 0.00 175.17 176.12 1wwv h ASP 28 N 2.92 0.00 0.87 0.27 1.82 -1.85 -0.49 116.42 119.96 1wwv h ASP 28 Ca -0.32 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.10 1wwv h ASP 28 Cb 1.21 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.20 1wwv h ASP 28 CO 0.47 0.09 -0.99 0.77 -1.61 0.00 0.00 179.24 177.96 1wwv h SER 29 N 0.00 0.09 0.51 2.28 4.64 -1.96 -3.31 113.55 115.81 1wwv h SER 29 Ca -0.00 -0.09 -0.24 0.00 -0.47 0.00 0.00 61.79 60.98 1wwv h SER 29 Cb 0.78 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 1wwv h SER 29 CO 0.01 1.02 -1.67 0.18 -0.87 0.00 0.00 176.83 175.51 1wwv n LEU 30 N -3.45 0.76 0.29 5.97 4.77 -1.15 -3.99 117.00 120.19 1wwv n LEU 30 Ca -0.02 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1wwv n LEU 30 Cb 0.91 0.16 0.61 0.00 -2.33 0.00 0.00 43.42 42.77 1wwv n LEU 30 CO 0.48 0.29 1.02 0.06 -1.33 0.00 0.00 177.39 177.91 1wwv h GLN 31 N 0.00 0.00 0.16 3.23 3.07 -1.17 -0.57 115.11 119.83 1wwv h GLN 31 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.47 1wwv h GLN 31 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.41 1wwv h GLN 31 CO 0.06 0.00 -0.08 0.38 0.09 0.00 0.00 178.83 179.28 1wwv h ASP 32 N 0.00 -0.18 -1.51 0.06 2.03 -1.72 -3.45 116.42 111.64 1wwv h ASP 32 Ca 0.00 -0.30 -0.65 0.00 -0.73 0.00 0.00 57.03 55.35 1wwv h ASP 32 Cb 0.78 0.05 0.10 0.00 -0.83 0.00 0.00 39.33 39.43 1wwv h ASP 32 CO 0.00 0.23 -0.25 -1.22 -1.03 0.00 0.00 179.24 176.97 1wwv n TYR 33 N -5.00 0.23 -2.05 4.15 4.01 -0.22 -4.74 117.16 113.52 1wwv n TYR 33 Ca -0.09 0.87 -0.28 0.00 -0.16 0.00 0.00 57.90 58.24 1wwv n TYR 33 Cb 0.24 -2.08 -0.06 0.00 -0.31 0.00 0.00 39.34 37.13 1wwv n TYR 33 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1wwv n PRO 34 N 0.99 1.60 0.01 -0.72 -0.04 -1.26 -4.75 135.00 130.82 1wwv n PRO 34 Ca 0.15 -2.47 -0.12 0.00 -0.04 0.00 0.00 63.50 61.02 1wwv n PRO 34 Cb 0.26 -3.73 -0.08 0.00 -0.04 0.00 0.00 33.50 29.92 1wwv n PRO 34 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wwv h PHE 35 N 9.67 0.03 -0.17 0.54 0.04 -1.89 -2.40 116.94 122.77 1wwv h PHE 35 Ca 0.22 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.04 1wwv h PHE 35 Cb 0.93 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.07 1wwv h PHE 35 CO 1.21 0.24 0.59 0.93 -0.60 0.00 0.00 178.31 180.68 1wwv h GLU 36 N -0.18 0.00 0.00 1.51 3.07 -1.89 1.10 114.58 118.19 1wwv h GLU 36 Ca 0.01 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.63 1wwv h GLU 36 Cb 0.22 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.10 1wwv h GLU 36 CO -0.00 0.00 -1.45 0.22 -1.40 0.00 0.00 179.01 176.38 1wwv h ASP 37 N 0.00 0.00 -0.75 1.42 3.58 -1.83 -3.35 116.42 115.50 1wwv h ASP 37 Ca 0.08 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.63 1wwv h ASP 37 Cb 1.26 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.23 1wwv h ASP 37 CO -0.00 0.85 0.37 -0.50 -2.88 0.00 0.00 179.24 177.08 1wwv h TRP 38 N 0.00 0.66 -5.90 0.28 4.06 0.15 -3.45 115.95 111.75 1wwv h TRP 38 Ca -0.19 0.03 -0.43 0.00 2.06 0.00 0.00 58.89 60.36 1wwv h TRP 38 Cb 1.82 -0.18 -0.12 0.00 -1.00 0.00 0.00 29.16 29.67 1wwv h TRP 38 CO 0.00 0.22 -0.64 1.04 -3.56 0.00 0.00 178.44 175.50 1wwv n GLN 39 N -4.87 -3.40 -3.01 0.49 6.02 -1.20 -4.89 117.38 106.52 1wwv n GLN 39 Ca 0.12 0.43 -0.41 0.00 -0.01 0.00 0.00 57.00 57.14 1wwv n GLN 39 Cb 0.31 -5.15 -0.05 0.00 1.02 0.00 0.00 30.24 26.36 1wwv n GLN 39 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wwv s LEU 40 N -6.74 4.07 0.33 1.08 2.96 -1.25 -4.82 118.68 114.31 1wwv s LEU 40 Ca 0.52 0.86 -0.28 0.00 -0.22 0.00 0.00 54.13 55.00 1wwv s LEU 40 Cb -0.28 -3.00 -0.10 0.00 0.50 0.00 0.00 46.19 43.31 1wwv s LEU 40 CO 0.64 -0.43 1.22 -2.16 -1.32 0.00 0.00 176.35 174.29 1wwv s PRO 41 N 2.64 4.38 0.32 0.98 0.04 -1.26 -4.14 135.00 137.96 1wwv s PRO 41 Ca 0.30 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.42 1wwv s PRO 41 Cb -0.15 -3.03 0.88 0.00 0.04 0.00 0.00 34.50 32.23 1wwv s PRO 41 CO 0.08 -0.09 1.59 0.78 0.04 0.00 0.00 177.00 179.40 1wwv h GLY 42 N 3.36 1.51 -0.36 0.56 0.00 -0.65 0.69 103.07 108.19 1wwv h GLY 42 Ca -0.48 0.03 0.29 0.00 0.00 0.00 0.00 47.33 47.17 1wwv h GLY 42 CO 0.65 -0.54 0.62 0.07 0.00 0.00 0.00 176.54 177.34 1wwv h LYS 43 N 0.07 0.40 0.00 4.80 2.10 0.25 0.41 116.57 124.59 1wwv h LYS 43 Ca 0.64 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 59.13 1wwv h LYS 43 Cb 1.43 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.64 1wwv h LYS 43 CO -0.81 0.27 -1.26 -0.91 -2.00 0.00 0.00 179.45 174.73 1wwv h ASN 44 N 0.41 0.00 0.16 7.07 2.35 0.07 -3.30 115.58 122.34 1wwv h ASN 44 Ca 0.68 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.45 1wwv h ASN 44 Cb 1.55 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.88 1wwv h ASN 44 CO -0.49 0.48 -0.37 0.25 -1.65 0.00 0.00 177.43 175.65 1wwv h LEU 45 N 0.00 -1.08 -1.39 1.61 5.85 0.13 1.19 115.31 121.62 1wwv h LEU 45 Ca -0.12 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1wwv h LEU 45 Cb 1.47 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 1wwv h LEU 45 CO 0.04 -0.46 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.45 1wwv h LEU 46 N -0.63 0.00 -2.93 2.25 3.38 -1.63 -2.30 115.31 113.45 1wwv h LEU 46 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wwv h LEU 46 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wwv h LEU 46 CO -0.20 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.49 1wwv n GLN 47 N -3.39 3.33 -0.47 1.13 1.13 -0.55 -4.98 117.38 113.58 1wwv n GLN 47 Ca -0.00 -2.77 -0.28 0.00 -1.94 0.00 0.00 57.00 52.00 1wwv n GLN 47 Cb 0.36 -1.77 0.23 0.00 0.11 0.00 0.00 30.24 29.17 1wwv n GLN 47 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wwv n LEU 48 N 1.34 -1.61 -3.72 1.08 4.77 0.40 -4.97 117.00 114.29 1wwv n LEU 48 Ca 0.25 -0.37 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 1wwv n LEU 48 Cb 0.78 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1wwv n LEU 48 CO 0.21 -3.57 0.07 0.00 -1.33 0.00 0.00 177.39 172.77 1wwv h PRO 50 N 2.79 0.00 0.06 0.00 0.13 -1.97 -1.59 132.00 131.42 1wwv h PRO 50 Ca -0.33 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.48 1wwv h PRO 50 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1wwv h PRO 50 CO 0.48 0.10 -1.81 1.96 -0.23 0.00 0.00 178.00 178.49 1wwv h GLN 51 N 0.00 0.13 -0.13 0.86 1.08 -1.97 -3.38 115.11 111.70 1wwv h GLN 51 Ca -0.00 -0.23 -0.18 0.00 -1.45 0.00 0.00 58.65 56.79 1wwv h GLN 51 Cb 0.56 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1wwv h GLN 51 CO 0.01 0.85 -0.62 0.77 -0.95 0.00 0.00 178.83 178.89 1wwv h SER 52 N 0.04 0.77 -1.13 1.46 0.02 -1.94 -3.18 113.55 109.58 1wwv h SER 52 Ca -0.34 -0.63 0.32 0.00 -0.84 0.00 0.00 61.79 60.30 1wwv h SER 52 Cb 2.02 -0.23 -0.10 0.00 0.14 0.00 0.00 62.40 64.23 1wwv h SER 52 CO 0.09 1.28 0.73 -0.07 -1.14 0.00 0.00 176.83 177.72 1wwv h LEU 53 N 0.31 0.36 -1.20 5.07 3.38 -1.47 0.48 115.31 122.25 1wwv h LEU 53 Ca -0.04 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.18 1wwv h LEU 53 Cb 1.26 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 1wwv h LEU 53 CO 0.13 -0.01 0.60 -0.33 0.09 0.00 0.00 178.44 178.92 1wwv h GLU 54 N 0.28 0.72 -0.30 1.13 5.08 -1.52 0.13 114.58 120.10 1wwv h GLU 54 Ca 0.67 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 59.03 1wwv h GLU 54 Cb 1.88 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1wwv h GLU 54 CO -0.33 0.48 0.21 0.00 -1.00 0.00 0.00 179.01 178.36 1wwv h ALA 55 N 1.59 2.05 -0.11 3.43 0.00 -0.21 0.27 119.26 126.28 1wwv h ALA 55 Ca 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1wwv h ALA 55 Cb 0.75 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wwv h ALA 55 CO -0.24 -0.10 0.02 1.28 0.00 0.00 0.00 179.25 180.20 1wwv n LEU 56 N -4.48 2.10 -0.84 0.00 4.77 0.44 -4.79 117.00 114.19 1wwv n LEU 56 Ca 0.03 -1.06 -0.09 0.00 -0.03 0.00 0.00 56.01 54.86 1wwv n LEU 56 Cb 0.24 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.77 1wwv n LEU 56 CO 0.35 0.36 -0.10 0.00 -1.33 0.00 0.00 177.39 176.67 1wwv n ALA 57 N 0.12 -0.20 -3.63 -1.18 0.00 0.07 -4.93 120.51 110.77 1wwv n ALA 57 Ca 0.06 0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 1wwv n ALA 57 Cb 0.46 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 1wwv n ALA 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wwv n VAL 58 N -3.38 2.82 -0.01 0.00 0.31 -1.11 -4.82 118.33 112.15 1wwv n VAL 58 Ca -0.10 -5.13 -0.07 0.00 -0.01 0.00 0.00 64.34 59.03 1wwv n VAL 58 Cb 0.44 -2.29 -0.13 0.00 -0.91 0.00 0.00 33.84 30.94 1wwv n VAL 58 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wwv h ARG 59 N 5.62 0.00 -5.15 5.55 3.08 -1.84 -3.14 114.38 118.49 1wwv h ARG 59 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1wwv h ARG 59 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1wwv h ARG 59 CO 0.86 0.50 0.10 0.43 -1.07 0.00 0.00 179.97 180.79 1wwv n SER 60 N -3.05 1.24 -0.41 7.04 7.64 -1.26 -4.72 113.62 120.10 1wwv n SER 60 Ca -0.14 -2.09 0.35 0.00 1.01 0.00 0.00 58.87 57.99 1wwv n SER 60 Cb 1.01 -1.63 0.58 0.00 -1.01 0.00 0.00 64.21 63.16 1wwv n SER 60 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wwv n LEU 61 N 18.61 0.16 0.00 -3.43 -0.00 -1.26 0.47 117.00 131.55 1wwv n LEU 61 Ca 0.41 1.13 -0.10 0.00 -0.00 0.00 0.00 56.01 57.46 1wwv n LEU 61 Cb 0.45 -0.56 -0.03 0.00 -0.00 0.00 0.00 43.42 43.28 1wwv n LEU 61 CO 0.58 -1.22 0.69 1.23 -0.00 0.00 0.00 177.39 178.67 1wwv h GLY 62 N 0.00 -0.28 1.80 -3.96 0.00 -1.98 -1.43 103.07 97.21 1wwv h GLY 62 Ca 0.74 0.31 -0.07 0.00 0.00 0.00 0.00 47.33 48.31 1wwv h GLY 62 CO -0.36 -0.20 -0.22 0.45 0.00 0.00 0.00 176.54 176.21 1wwv h HIS 63 N -0.32 0.26 -0.56 5.60 3.86 -0.37 -2.57 115.15 121.05 1wwv h HIS 63 Ca 0.10 -0.04 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1wwv h HIS 63 Cb 0.47 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 1wwv h HIS 63 CO -0.35 0.46 0.38 1.96 0.86 0.00 0.00 177.93 181.23 1wwv h GLN 64 N 0.22 0.51 0.04 2.45 4.20 -0.98 -1.47 115.11 120.08 1wwv h GLN 64 Ca 0.04 -0.03 -0.24 0.00 0.06 0.00 0.00 58.65 58.48 1wwv h GLN 64 Cb 0.52 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1wwv h GLN 64 CO 0.04 0.34 -1.02 1.49 -0.67 0.00 0.00 178.83 179.01 1wwv h GLU 65 N 0.53 0.36 -0.36 1.46 4.57 -1.01 -0.79 114.58 119.35 1wwv h GLU 65 Ca 0.24 -0.44 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1wwv h GLU 65 Cb 0.29 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1wwv h GLU 65 CO -0.07 1.13 0.22 -0.07 -1.18 0.00 0.00 179.01 179.03 1wwv h LEU 66 N 0.18 0.42 0.00 1.64 3.38 -1.14 -2.21 115.31 117.58 1wwv h LEU 66 Ca -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1wwv h LEU 66 Cb 1.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1wwv h LEU 66 CO 0.17 0.32 -0.51 -0.38 0.09 0.00 0.00 178.44 178.13 1wwv n ILE 67 N -4.46 1.37 -0.31 1.22 5.41 -0.95 -4.08 119.36 117.55 1wwv n ILE 67 Ca 0.02 0.23 0.15 0.00 1.00 0.00 0.00 62.75 64.15 1wwv n ILE 67 Cb 0.08 -2.36 0.29 0.00 -0.71 0.00 0.00 39.64 36.94 1wwv n ILE 67 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wwv n LEU 68 N -4.52 -0.07 -0.03 1.39 4.77 -0.31 0.45 117.00 118.69 1wwv n LEU 68 Ca -0.07 1.54 -0.08 0.00 -0.03 0.00 0.00 56.01 57.37 1wwv n LEU 68 Cb 0.27 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1wwv n LEU 68 CO 0.11 -1.58 0.78 1.23 -1.33 0.00 0.00 177.39 176.59 1wwv h GLY 69 N 0.00 0.02 1.34 -0.72 0.00 -1.59 -1.79 103.07 100.32 1wwv h GLY 69 Ca 0.57 0.15 0.01 0.00 0.00 0.00 0.00 47.33 48.07 1wwv h GLY 69 CO -0.84 -0.14 0.44 -1.33 0.00 0.00 0.00 176.54 174.67 1wwv h GLY 70 N -0.12 0.94 1.01 4.60 0.00 -0.15 -2.41 103.07 106.94 1wwv h GLY 70 Ca 0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1wwv h GLY 70 CO -0.26 0.34 0.30 -2.08 0.00 0.00 0.00 176.54 174.84 1wwv h VAL 71 N 0.90 1.23 -0.54 4.60 2.07 -0.61 -2.59 116.25 121.31 1wwv h VAL 71 Ca 0.25 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.16 1wwv h VAL 71 Cb -0.10 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1wwv h VAL 71 CO -0.05 0.28 0.13 -0.33 0.02 0.00 0.00 177.57 177.62 1wwv h GLU 72 N 0.96 0.26 -0.45 1.57 4.39 -0.83 -0.46 114.58 120.03 1wwv h GLU 72 Ca 0.23 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 1wwv h GLU 72 Cb 0.16 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1wwv h GLU 72 CO -0.02 0.18 0.07 1.96 -1.16 0.00 0.00 179.01 180.03 1wwv h GLN 73 N 0.27 0.69 0.05 2.33 1.08 -1.46 -2.99 115.11 115.09 1wwv h GLN 73 Ca 0.27 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1wwv h GLN 73 Cb 0.37 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1wwv h GLN 73 CO -0.34 0.66 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.10 1wwv h LEU 74 N 0.66 -0.06 -1.30 1.46 3.38 -0.74 -2.05 115.31 116.66 1wwv h LEU 74 Ca 0.14 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wwv h LEU 74 Cb 0.31 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wwv h LEU 74 CO 0.00 0.07 0.57 1.56 0.09 0.00 0.00 178.44 180.73 1wwv h GLN 75 N -0.18 0.00 0.14 1.13 4.20 -1.10 0.84 115.11 120.14 1wwv h GLN 75 Ca -0.01 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.41 1wwv h GLN 75 Cb 0.16 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.96 1wwv h GLN 75 CO 0.01 0.00 -1.27 0.00 -0.67 0.00 0.00 178.83 176.91 1wwv h ALA 76 N 0.87 0.04 0.00 3.87 0.00 -1.41 -3.21 119.26 119.42 1wwv h ALA 76 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1wwv h ALA 76 Cb 1.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wwv h ALA 76 CO -0.00 0.82 -1.11 1.47 0.00 0.00 0.00 179.25 180.43 1wwv n LEU 77 N -3.66 0.62 0.14 0.00 -0.00 0.24 -2.37 117.00 111.96 1wwv n LEU 77 Ca -0.11 0.12 -0.12 0.00 -0.00 0.00 0.00 56.01 55.90 1wwv n LEU 77 Cb 1.01 -0.08 -0.08 0.00 -0.00 0.00 0.00 43.42 44.28 1wwv n LEU 77 CO 0.56 -0.05 0.48 0.77 -0.00 0.00 0.00 177.39 179.15 1wwv h SER 78 N 0.00 -0.33 0.03 1.45 4.64 -0.16 -3.38 113.55 115.79 1wwv h SER 78 Ca 0.00 -0.21 -0.30 0.00 -0.47 0.00 0.00 61.79 60.81 1wwv h SER 78 Cb 0.86 0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.99 1wwv h SER 78 CO 0.00 0.10 -1.65 -0.24 -0.87 0.00 0.00 176.83 174.17 1wwv n SER 79 N -5.08 1.94 -2.39 4.97 2.88 -1.21 -4.33 113.62 110.39 1wwv n SER 79 Ca -0.09 0.34 -0.18 0.00 -1.33 0.00 0.00 58.87 57.61 1wwv n SER 79 Cb 0.27 -0.90 -0.01 0.00 -0.75 0.00 0.00 64.21 62.81 1wwv n SER 79 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wwv n ARG 80 N -4.16 -1.86 -2.56 -1.46 1.74 -1.00 -4.88 116.66 102.48 1wwv n ARG 80 Ca -0.36 0.87 -0.25 0.00 -0.77 0.00 0.00 57.85 57.35 1wwv n ARG 80 Cb 0.80 -5.51 -0.00 0.00 -1.02 0.00 0.00 32.46 26.73 1wwv n ARG 80 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wwv n LEU 81 N -2.92 4.26 -3.56 0.55 4.77 -1.26 -5.04 117.00 113.80 1wwv n LEU 81 Ca -0.21 -5.10 -0.08 0.00 -0.03 0.00 0.00 56.01 50.59 1wwv n LEU 81 Cb 0.66 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1wwv n LEU 81 CO 0.25 2.18 0.64 -1.58 -1.33 0.00 0.00 177.39 177.55 1wwv s GLN 82 N -3.47 1.01 -0.39 3.23 2.00 -1.26 -5.10 119.66 115.68 1wwv s GLN 82 Ca 0.46 -0.43 -0.38 0.00 -2.00 0.00 0.00 55.36 53.00 1wwv s GLN 82 Cb 0.39 0.43 -0.14 0.00 0.80 0.00 0.00 33.01 34.49 1wwv s GLN 82 CO -0.16 -0.45 2.13 0.25 -0.50 0.00 0.00 175.29 176.57 1wwv n THR 83 N -0.32 0.14 -1.91 -0.34 -2.24 -1.26 -4.91 114.28 103.44 1wwv n THR 83 Ca -0.09 -0.16 -0.31 0.00 -2.27 0.00 0.00 64.05 61.22 1wwv n THR 83 Cb 0.62 -1.24 0.01 0.00 -2.10 0.00 0.00 70.33 67.62 1wwv n THR 83 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wwv s GLU 84 N 5.90 3.62 0.30 -0.78 4.04 -1.26 -5.09 118.70 125.43 1wwv s GLU 84 Ca 1.12 0.77 0.02 0.00 0.04 0.00 0.00 54.97 56.92 1wwv s GLU 84 Cb -1.08 -2.08 -0.02 0.00 0.02 0.00 0.00 34.13 30.96 1wwv s GLU 84 CO 0.56 -0.55 0.29 0.54 -1.84 0.00 0.00 175.26 174.26 1wwv s ASN 85 N -4.09 1.04 -0.07 0.83 2.20 -1.26 -5.18 114.94 108.42 1wwv s ASN 85 Ca 0.55 -1.57 -0.08 0.00 -0.94 0.00 0.00 52.86 50.83 1wwv s ASN 85 Cb -0.11 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.70 1wwv s ASN 85 CO 0.52 -1.06 0.22 -0.44 -2.94 0.00 0.00 177.10 173.40 1wwv s SER 86 N -3.27 -0.21 0.00 3.54 0.01 -1.26 -5.06 113.70 107.45 1wwv s SER 86 Ca 0.37 0.38 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1wwv s SER 86 Cb 0.03 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1wwv s SER 86 CO 0.21 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1wwv n GLY 87 N 2.75 0.06 0.17 3.44 0.00 -1.26 -5.02 105.19 105.32 1wwv n GLY 87 Ca -0.14 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1wwv n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwv h PRO 88 N 0.00 0.00 -6.68 1.61 0.13 -2.08 -3.45 132.00 121.53 1wwv h PRO 88 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1wwv h PRO 88 Cb 0.00 0.00 0.23 0.00 0.13 0.00 0.00 31.00 31.36 1wwv h PRO 88 CO 0.00 0.00 -0.98 -1.13 -0.23 0.00 0.00 178.00 175.66 1wwv n SER 89 N -2.43 -2.37 -3.57 1.44 3.41 -1.26 -5.04 113.62 103.80 1wwv n SER 89 Ca 0.02 0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.50 1wwv n SER 89 Cb 0.24 -1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.11 1wwv n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wwv s SER 90 N -1.86 -0.62 0.00 4.04 1.04 -1.26 -5.25 113.70 109.79 1wwv s SER 90 Ca 0.55 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1wwv s SER 90 Cb -0.14 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1wwv s SER 90 CO 0.67 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 175.07