#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 4.36 0.22 1.61 0.15 -1.26 -5.07 113.70 113.71 1wwv s SER 2 Ca 0.00 -2.89 -0.15 0.00 0.70 0.00 0.00 55.95 53.60 1wwv s SER 2 Cb 0.00 -1.62 0.01 0.00 -1.71 0.00 0.00 66.02 62.70 1wwv s SER 2 CO 0.00 -0.25 0.51 -0.55 1.20 0.00 0.00 173.24 174.15 1wwv s SER 3 N -0.12 -0.17 0.00 5.45 0.15 -1.26 -5.14 113.70 112.61 1wwv s SER 3 Ca 0.16 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1wwv s SER 3 Cb -0.25 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1wwv s SER 3 CO -0.01 -1.12 0.00 0.61 1.20 0.00 0.00 173.24 173.92 1wwv n GLY 4 N -0.36 0.87 4.38 9.45 0.00 -1.26 -4.97 105.19 113.29 1wwv n GLY 4 Ca -0.06 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1wwv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwv n SER 5 N 0.00 -0.64 -4.44 1.61 2.88 -1.26 -4.89 113.62 106.89 1wwv n SER 5 Ca 0.00 -1.22 -0.36 0.00 -1.33 0.00 0.00 58.87 55.95 1wwv n SER 5 Cb 0.00 -1.55 -0.13 0.00 -0.75 0.00 0.00 64.21 61.79 1wwv n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wwv s SER 6 N -3.67 5.12 0.20 -3.46 1.04 -1.26 -5.09 113.70 106.58 1wwv s SER 6 Ca 0.47 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.69 1wwv s SER 6 Cb -0.28 -1.92 0.01 0.00 0.10 0.00 0.00 66.02 63.94 1wwv s SER 6 CO 0.99 -0.04 0.12 0.61 0.98 0.00 0.00 173.24 175.89 1wwv n GLY 7 N 4.92 3.19 3.76 7.32 0.00 -1.26 -4.88 105.19 118.24 1wwv n GLY 7 Ca -0.16 -2.23 -0.39 0.00 0.00 0.00 0.00 46.02 43.23 1wwv n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1wwv s MET 8 N -2.80 3.53 0.24 1.61 -2.45 -1.26 -4.98 119.30 113.18 1wwv s MET 8 Ca 0.09 2.39 -0.21 0.00 -1.25 0.00 0.00 55.69 56.70 1wwv s MET 8 Cb -0.01 -2.55 -0.09 0.00 1.25 0.00 0.00 34.83 33.44 1wwv s MET 8 CO 0.06 -0.93 0.77 -1.21 1.05 0.00 0.00 175.02 174.75 1wwv s GLU 9 N -2.58 4.35 0.09 4.11 8.01 -1.26 -4.95 118.70 126.46 1wwv s GLU 9 Ca 0.64 0.98 -0.31 0.00 0.01 0.00 0.00 54.97 56.29 1wwv s GLU 9 Cb -0.43 -2.90 -0.07 0.00 -4.31 0.00 0.00 34.13 26.41 1wwv s GLU 9 CO 0.54 0.39 1.38 -1.25 0.01 0.00 0.00 175.26 176.33 1wwv s PRO 10 N -1.91 4.32 0.14 0.39 0.04 -1.26 -4.88 135.00 131.84 1wwv s PRO 10 Ca 0.44 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.61 1wwv s PRO 10 Cb -0.18 -3.32 0.55 0.00 0.04 0.00 0.00 34.50 31.59 1wwv s PRO 10 CO 0.22 -0.45 1.33 0.28 0.04 0.00 0.00 177.00 178.42 1wwv n VAL 11 N 4.09 1.49 0.26 -0.36 0.31 -1.26 -0.91 118.33 121.96 1wwv n VAL 11 Ca 0.12 0.55 0.14 0.00 -0.01 0.00 0.00 64.34 65.14 1wwv n VAL 11 Cb 0.43 -1.53 0.36 0.00 -0.91 0.00 0.00 33.84 32.18 1wwv n VAL 11 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1wwv h GLU 12 N 0.00 0.00 0.00 5.55 4.11 -1.90 -3.21 114.58 119.13 1wwv h GLU 12 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1wwv h GLU 12 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wwv h GLU 12 CO 0.00 0.00 -1.57 0.25 0.07 0.00 0.00 179.01 177.76 1wwv n THR 13 N -3.03 0.00 -1.27 -1.06 -2.24 -0.08 0.69 114.28 107.28 1wwv n THR 13 Ca 0.03 -0.33 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 1wwv n THR 13 Cb 0.45 0.26 0.02 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.95 -2.55 -2.22 4.78 7.02 -1.04 -4.70 117.44 116.79 1wwv n TRP 14 Ca -0.02 0.42 -0.32 0.00 -1.02 0.00 0.00 57.50 56.56 1wwv n TRP 14 Cb 0.38 -1.73 -0.02 0.00 -2.42 0.00 0.00 31.31 27.52 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 -1.95 4.40 -2.00 -0.99 -4.23 -1.26 -1.20 115.64 108.42 1wwv s THR 15 Ca 0.58 1.08 0.09 0.00 -1.18 0.00 0.00 61.69 62.26 1wwv s THR 15 Cb -0.47 -3.66 0.24 0.00 1.34 0.00 0.00 72.50 69.95 1wwv s THR 15 CO 0.65 -0.73 0.96 -0.81 -0.54 0.00 0.00 174.62 174.14 1wwv n PRO 16 N -1.90 0.48 -0.00 3.99 -0.04 -1.26 -2.09 135.00 134.18 1wwv n PRO 16 Ca 0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 1wwv n PRO 16 Cb 0.54 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.27 0.13 0.55 0.00 -1.26 -4.05 105.19 100.26 1wwv n GLY 17 Ca 0.06 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.44 0.72 -0.34 1.61 5.02 -0.89 -4.24 118.16 118.61 1wwv n LYS 18 Ca 0.01 0.22 0.19 0.00 -2.02 0.00 0.00 58.31 56.72 1wwv n LYS 18 Cb 0.23 -1.66 0.43 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.04 0.56 -0.09 -0.18 2.07 -1.80 0.61 116.25 117.47 1wwv h VAL 19 Ca -0.46 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1wwv h VAL 19 Cb 2.01 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1wwv h VAL 19 CO 0.04 0.10 0.07 0.00 0.02 0.00 0.00 177.57 177.80 1wwv h ALA 20 N 1.67 1.88 0.03 1.67 0.00 -1.82 0.11 119.26 122.81 1wwv h ALA 20 Ca 0.61 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.29 1wwv h ALA 20 Cb 1.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1wwv h ALA 20 CO -0.39 -0.12 -1.10 1.15 0.00 0.00 0.00 179.25 178.80 1wwv h THR 21 N 0.00 1.62 0.00 0.00 2.02 0.00 -2.86 112.91 113.69 1wwv h THR 21 Ca 0.04 -3.31 0.00 0.00 0.77 0.00 0.00 66.41 63.91 1wwv h THR 21 Cb 0.19 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1wwv h THR 21 CO -0.00 0.93 -0.40 1.87 0.37 0.00 0.00 175.52 178.29 1wwv n TRP 22 N -3.37 0.65 0.02 3.16 -0.00 -0.40 -3.57 117.44 113.93 1wwv n TRP 22 Ca -0.03 0.19 -0.16 0.00 -0.00 0.00 0.00 57.50 57.50 1wwv n TRP 22 Cb 0.96 -0.73 -0.14 0.00 -0.00 0.00 0.00 31.31 31.40 1wwv n TRP 22 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1wwv h LEU 23 N 0.00 0.28 -1.31 5.87 3.38 -0.87 -3.19 115.31 119.48 1wwv h LEU 23 Ca 0.00 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1wwv h LEU 23 Cb 0.73 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1wwv h LEU 23 CO 0.00 1.46 -0.10 0.08 0.09 0.00 0.00 178.44 179.97 1wwv h ARG 24 N 0.05 0.00 0.00 1.13 -0.00 -1.60 -3.00 114.38 110.96 1wwv h ARG 24 Ca -0.32 0.00 -0.26 0.00 -0.00 0.00 0.00 59.98 59.40 1wwv h ARG 24 Cb 2.02 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.95 1wwv h ARG 24 CO 0.11 0.10 -1.48 0.78 -0.00 0.00 0.00 179.97 179.49 1wwv h GLY 25 N 2.04 0.00 -0.45 0.08 0.00 -1.67 -3.39 103.07 99.68 1wwv h GLY 25 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1wwv h GLY 25 CO 0.01 0.00 -0.52 1.41 0.00 0.00 0.00 176.54 177.44 1wwv h LEU 26 N 0.00 -1.78 -7.00 3.11 3.38 -1.50 -3.44 115.31 108.08 1wwv h LEU 26 Ca -0.20 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1wwv h LEU 26 Cb 1.91 0.73 -0.22 0.00 0.09 0.00 0.00 40.66 43.18 1wwv h LEU 26 CO 0.09 -0.36 0.23 -0.62 0.09 0.00 0.00 178.44 177.87 1wwv s ASP 27 N -4.94 -0.66 0.43 -0.43 2.15 -1.26 -5.03 116.67 106.93 1wwv s ASP 27 Ca -0.13 1.18 0.12 0.00 0.43 0.00 0.00 52.55 54.14 1wwv s ASP 27 Cb 0.08 1.16 0.97 0.00 -0.30 0.00 0.00 42.92 44.84 1wwv s ASP 27 CO 0.57 -0.28 2.01 -0.78 -0.17 0.00 0.00 175.17 176.52 1wwv h ASP 28 N 4.45 0.40 0.00 -0.34 3.58 -1.86 0.47 116.42 123.12 1wwv h ASP 28 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1wwv h ASP 28 Cb 1.16 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1wwv h ASP 28 CO 0.12 0.26 0.04 -0.24 -2.88 0.00 0.00 179.24 176.54 1wwv n SER 29 N -4.47 0.18 -0.02 2.28 2.88 -1.26 -1.17 113.62 112.03 1wwv n SER 29 Ca 0.07 0.56 -0.01 0.00 -1.33 0.00 0.00 58.87 58.16 1wwv n SER 29 Cb 0.26 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 1wwv n SER 29 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wwv n LEU 30 N -1.73 0.00 0.33 2.46 4.77 0.11 -4.54 117.00 118.40 1wwv n LEU 30 Ca -0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 1wwv n LEU 30 Cb 0.05 0.12 0.47 0.00 -2.33 0.00 0.00 43.42 41.73 1wwv n LEU 30 CO 0.03 0.12 1.06 1.56 -1.33 0.00 0.00 177.39 178.83 1wwv h GLN 31 N 0.00 0.00 0.07 3.23 4.20 -0.58 0.13 115.11 122.16 1wwv h GLN 31 Ca -0.13 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1wwv h GLN 31 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1wwv h GLN 31 CO 0.01 0.00 -0.04 -0.44 -0.67 0.00 0.00 178.83 177.69 1wwv h ASP 32 N 0.00 -0.08 -2.05 1.46 5.19 -1.80 -3.44 116.42 115.69 1wwv h ASP 32 Ca 0.00 -0.29 -0.62 0.00 -0.62 0.00 0.00 57.03 55.50 1wwv h ASP 32 Cb 1.20 0.02 0.05 0.00 0.18 0.00 0.00 39.33 40.79 1wwv h ASP 32 CO 0.00 0.25 0.71 -1.22 -3.12 0.00 0.00 179.24 175.86 1wwv n TYR 33 N -4.98 2.04 -2.07 4.55 4.01 0.45 -4.81 117.16 116.35 1wwv n TYR 33 Ca -0.08 0.37 -0.28 0.00 -0.16 0.00 0.00 57.90 57.75 1wwv n TYR 33 Cb 0.20 -2.48 -0.06 0.00 -0.31 0.00 0.00 39.34 36.68 1wwv n TYR 33 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wwv s PRO 34 N 1.05 2.49 0.22 -0.72 0.04 -1.26 -4.74 135.00 132.08 1wwv s PRO 34 Ca 0.82 -1.15 -0.07 0.00 0.04 0.00 0.00 61.00 60.65 1wwv s PRO 34 Cb -0.78 -5.24 0.19 0.00 0.04 0.00 0.00 34.50 28.72 1wwv s PRO 34 CO 0.42 -3.97 1.76 0.74 0.04 0.00 0.00 177.00 175.99 1wwv h PHE 35 N 9.76 1.14 0.00 0.56 0.04 -1.90 -1.83 116.94 124.71 1wwv h PHE 35 Ca 0.21 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1wwv h PHE 35 Cb 0.94 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.76 1wwv h PHE 35 CO 1.21 0.90 0.15 1.49 -0.60 0.00 0.00 178.31 181.46 1wwv h GLU 36 N 1.06 0.00 0.01 1.51 4.81 -1.89 -0.02 114.58 120.05 1wwv h GLU 36 Ca 0.23 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.10 1wwv h GLU 36 Cb 0.30 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1wwv h GLU 36 CO -0.01 0.00 -2.27 -0.25 -0.73 0.00 0.00 179.01 175.75 1wwv n ASP 37 N -2.54 0.61 -0.28 1.04 9.92 -0.73 -4.27 116.55 120.31 1wwv n ASP 37 Ca -0.02 0.05 0.33 0.00 -0.53 0.00 0.00 54.79 54.63 1wwv n ASP 37 Cb 0.19 0.47 0.74 0.00 -0.64 0.00 0.00 41.12 41.88 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1wwv h TRP 38 N 0.00 0.00 -6.84 1.24 4.06 -0.56 -3.44 115.95 110.42 1wwv h TRP 38 Ca -0.51 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 59.92 1wwv h TRP 38 Cb 2.14 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 29.97 1wwv h TRP 38 CO 0.01 0.00 -0.77 1.04 -3.56 0.00 0.00 178.44 175.16 1wwv n GLN 39 N -4.19 -1.06 -3.23 0.49 6.02 -1.22 -4.86 117.38 109.34 1wwv n GLN 39 Ca 0.23 0.12 -0.40 0.00 -0.01 0.00 0.00 57.00 56.94 1wwv n GLN 39 Cb 1.16 -4.65 -0.07 0.00 1.02 0.00 0.00 30.24 27.70 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 -6.86 4.06 0.64 1.08 2.96 -1.26 -4.88 118.68 114.43 1wwv s LEU 40 Ca 0.71 0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 54.98 1wwv s LEU 40 Cb -0.41 -2.67 -0.01 0.00 0.50 0.00 0.00 46.19 43.60 1wwv s LEU 40 CO 0.87 -0.30 1.11 -2.16 -1.32 0.00 0.00 176.35 174.55 1wwv s PRO 41 N 2.33 2.88 0.13 0.98 0.04 -1.26 -4.17 135.00 135.93 1wwv s PRO 41 Ca 0.21 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 1wwv s PRO 41 Cb -0.16 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1wwv s PRO 41 CO 0.09 -1.19 1.62 0.78 0.04 0.00 0.00 177.00 178.34 1wwv h GLY 42 N 0.19 -0.42 -1.49 0.56 0.00 -1.32 -0.70 103.07 99.89 1wwv h GLY 42 Ca -0.47 0.35 0.50 0.00 0.00 0.00 0.00 47.33 47.71 1wwv h GLY 42 CO 0.54 -0.22 1.06 0.07 0.00 0.00 0.00 176.54 178.00 1wwv h LYS 43 N -0.40 0.02 0.05 4.80 2.10 0.16 1.89 116.57 125.18 1wwv h LYS 43 Ca 0.08 -0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.46 1wwv h LYS 43 Cb 0.52 -0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 1wwv h LYS 43 CO -0.29 0.01 -1.37 -0.91 -2.00 0.00 0.00 179.45 174.89 1wwv h ASN 44 N 0.02 0.15 0.10 7.07 4.21 -1.43 -3.28 115.58 122.43 1wwv h ASN 44 Ca 0.88 -0.21 0.01 0.00 1.21 0.00 0.00 56.30 58.19 1wwv h ASN 44 Cb 3.09 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 40.21 1wwv h ASN 44 CO -0.29 1.17 -0.32 0.25 -1.29 0.00 0.00 177.43 176.95 1wwv h LEU 45 N 0.03 -0.96 -1.62 1.61 5.85 0.39 0.84 115.31 121.44 1wwv h LEU 45 Ca -0.17 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1wwv h LEU 45 Cb 1.92 0.35 0.00 0.00 0.37 0.00 0.00 40.66 43.30 1wwv h LEU 45 CO 0.13 -0.35 0.00 -0.07 -0.34 0.00 0.00 178.44 177.81 1wwv h LEU 46 N -0.48 0.00 -3.20 2.25 3.38 -1.67 0.51 115.31 116.09 1wwv h LEU 46 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wwv h LEU 46 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wwv h LEU 46 CO -0.16 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.37 1wwv n GLN 47 N -2.44 3.23 -1.17 1.13 1.13 -0.01 -5.02 117.38 114.23 1wwv n GLN 47 Ca -0.01 -2.72 -0.31 0.00 -1.94 0.00 0.00 57.00 52.02 1wwv n GLN 47 Cb 0.08 -1.78 0.11 0.00 0.11 0.00 0.00 30.24 28.76 1wwv n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wwv s LEU 48 N -2.33 2.80 0.06 1.08 1.43 0.27 -4.96 118.68 117.04 1wwv s LEU 48 Ca 0.41 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 1wwv s LEU 48 Cb 0.30 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 1wwv s LEU 48 CO 0.13 -2.33 -0.04 0.00 0.23 0.00 0.00 176.35 174.34 1wwv h PRO 50 N 3.19 0.00 0.04 0.00 0.13 -1.98 -2.20 132.00 131.18 1wwv h PRO 50 Ca -0.34 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.48 1wwv h PRO 50 Cb 1.15 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1wwv h PRO 50 CO 0.64 0.08 -1.76 1.96 -0.23 0.00 0.00 178.00 178.69 1wwv h GLN 51 N 0.00 0.08 -0.19 0.86 4.20 -1.96 -3.37 115.11 114.73 1wwv h GLN 51 Ca -0.00 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 1wwv h GLN 51 Cb 0.55 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1wwv h GLN 51 CO 0.01 0.72 -0.49 0.77 -0.67 0.00 0.00 178.83 179.17 1wwv h SER 52 N 0.02 0.75 -0.94 1.46 0.02 -1.94 -3.14 113.55 109.79 1wwv h SER 52 Ca -0.31 -0.58 0.21 0.00 -0.84 0.00 0.00 61.79 60.27 1wwv h SER 52 Cb 2.02 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 64.26 1wwv h SER 52 CO 0.09 1.19 0.62 -0.07 -1.14 0.00 0.00 176.83 177.52 1wwv h LEU 53 N 0.35 0.45 -1.21 5.07 3.38 -1.57 0.67 115.31 122.45 1wwv h LEU 53 Ca -0.01 0.05 0.23 0.00 0.09 0.00 0.00 57.88 58.25 1wwv h LEU 53 Cb 1.10 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 1wwv h LEU 53 CO 0.11 0.17 0.63 -0.33 0.09 0.00 0.00 178.44 179.10 1wwv h GLU 54 N 0.44 0.52 -0.28 1.13 5.08 -1.57 0.42 114.58 120.32 1wwv h GLU 54 Ca 0.50 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1wwv h GLU 54 Cb 1.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1wwv h GLU 54 CO -0.21 0.34 0.19 0.00 -1.00 0.00 0.00 179.01 178.33 1wwv h ALA 55 N 1.65 1.84 -0.22 3.43 0.00 -1.02 -1.05 119.26 123.88 1wwv h ALA 55 Ca 0.58 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.38 1wwv h ALA 55 Cb 1.24 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1wwv h ALA 55 CO -0.34 0.14 0.12 1.28 0.00 0.00 0.00 179.25 180.45 1wwv n LEU 56 N -4.50 3.47 -2.69 0.00 4.77 0.15 -4.80 117.00 113.41 1wwv n LEU 56 Ca 0.01 -1.78 -0.20 0.00 -0.03 0.00 0.00 56.01 54.02 1wwv n LEU 56 Cb 0.10 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1wwv n LEU 56 CO 0.35 0.56 0.00 0.00 -1.33 0.00 0.00 177.39 176.97 1wwv n ALA 57 N 0.10 -0.86 -3.40 -1.18 0.00 -0.40 -4.95 120.51 109.82 1wwv n ALA 57 Ca 0.13 0.26 -0.27 0.00 0.00 0.00 0.00 53.44 53.56 1wwv n ALA 57 Cb 0.71 -3.54 -0.08 0.00 0.00 0.00 0.00 19.45 16.55 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 -4.38 1.84 0.00 0.00 0.31 -1.13 -4.88 118.33 110.10 1wwv n VAL 58 Ca -0.10 -5.01 -0.20 0.00 -0.01 0.00 0.00 64.34 59.02 1wwv n VAL 58 Cb 0.61 -2.08 -0.14 0.00 -0.91 0.00 0.00 33.84 31.32 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 4.20 0.20 -5.31 5.55 2.47 -1.84 -3.24 114.38 116.41 1wwv h ARG 59 Ca 0.18 -0.34 -0.43 0.00 -1.26 0.00 0.00 59.98 58.12 1wwv h ARG 59 Cb 0.70 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.11 1wwv h ARG 59 CO 0.77 1.17 1.58 0.43 0.56 0.00 0.00 179.97 184.48 1wwv n SER 60 N -4.18 1.23 -0.32 7.04 7.64 -1.26 -4.77 113.62 119.01 1wwv n SER 60 Ca -0.18 -0.33 0.12 0.00 1.01 0.00 0.00 58.87 59.49 1wwv n SER 60 Cb 0.77 -1.26 0.29 0.00 -1.01 0.00 0.00 64.21 63.00 1wwv n SER 60 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wwv h LEU 61 N 16.34 0.53 -1.60 -3.43 3.38 -1.98 0.14 115.31 128.69 1wwv h LEU 61 Ca -0.13 0.12 0.26 0.00 0.09 0.00 0.00 57.88 58.22 1wwv h LEU 61 Cb 1.25 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1wwv h LEU 61 CO 1.27 0.14 0.90 1.23 0.09 0.00 0.00 178.44 182.07 1wwv h GLY 62 N 0.57 0.00 0.50 0.83 0.00 -1.99 1.33 103.07 104.31 1wwv h GLY 62 Ca 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.82 1wwv h GLY 62 CO -0.44 0.00 -1.59 1.42 0.00 0.00 0.00 176.54 175.94 1wwv n HIS 63 N -3.60 0.50 0.05 5.60 8.25 0.48 -4.12 115.22 122.39 1wwv n HIS 63 Ca 0.19 0.15 -0.11 0.00 -0.26 0.00 0.00 57.72 57.69 1wwv n HIS 63 Cb 1.20 -0.79 -0.00 0.00 1.12 0.00 0.00 29.99 31.51 1wwv n HIS 63 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1wwv h GLN 64 N 0.00 0.42 -0.24 -0.41 4.20 0.18 -3.27 115.11 116.00 1wwv h GLN 64 Ca -0.07 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 1wwv h GLN 64 Cb 1.19 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 1wwv h GLN 64 CO 0.01 1.03 0.07 1.49 -0.67 0.00 0.00 178.83 180.76 1wwv h GLU 65 N 0.27 0.37 -0.88 1.46 4.57 -1.39 0.11 114.58 119.08 1wwv h GLU 65 Ca -0.05 -0.08 0.20 0.00 -1.18 0.00 0.00 59.36 58.25 1wwv h GLU 65 Cb 1.40 -0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 29.82 1wwv h GLU 65 CO 0.14 0.45 0.40 -0.07 -1.18 0.00 0.00 179.01 178.75 1wwv h LEU 66 N 0.21 0.37 0.00 1.64 3.38 -1.71 0.17 115.31 119.37 1wwv h LEU 66 Ca 0.08 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1wwv h LEU 66 Cb 0.23 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wwv h LEU 66 CO -0.00 0.05 0.00 -0.38 0.09 0.00 0.00 178.44 178.20 1wwv n ILE 67 N -5.00 0.00 -0.26 1.22 5.41 -1.10 -3.50 119.36 116.12 1wwv n ILE 67 Ca 0.21 0.49 0.25 0.00 1.00 0.00 0.00 62.75 64.70 1wwv n ILE 67 Cb 0.59 -1.48 0.47 0.00 -0.71 0.00 0.00 39.64 38.51 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 -2.02 0.26 0.23 1.39 4.77 0.35 0.66 117.00 122.65 1wwv n LEU 68 Ca 0.00 1.36 -0.15 0.00 -0.03 0.00 0.00 56.01 57.18 1wwv n LEU 68 Cb 0.00 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.36 1wwv n LEU 68 CO 0.00 -1.51 0.74 1.23 -1.33 0.00 0.00 177.39 176.52 1wwv h GLY 69 N 0.00 -0.55 1.01 -0.72 0.00 -0.82 -2.41 103.07 99.58 1wwv h GLY 69 Ca 0.68 0.21 0.05 0.00 0.00 0.00 0.00 47.33 48.27 1wwv h GLY 69 CO -0.64 -0.20 0.53 -1.33 0.00 0.00 0.00 176.54 174.90 1wwv h GLY 70 N -0.54 1.12 0.99 4.60 0.00 0.19 -2.40 103.07 107.03 1wwv h GLY 70 Ca -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 46.92 1wwv h GLY 70 CO 0.09 0.28 0.24 -2.08 0.00 0.00 0.00 176.54 175.07 1wwv h VAL 71 N 0.91 1.08 -1.13 4.60 2.07 -1.14 -2.21 116.25 120.44 1wwv h VAL 71 Ca 0.34 -0.17 0.32 0.00 0.82 0.00 0.00 66.70 68.01 1wwv h VAL 71 Cb 0.17 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1wwv h VAL 71 CO -0.11 0.09 0.73 -0.33 0.02 0.00 0.00 177.57 177.96 1wwv h GLU 72 N 0.48 0.28 -0.31 1.57 4.39 -0.92 0.47 114.58 120.53 1wwv h GLU 72 Ca 0.13 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.64 1wwv h GLU 72 Cb -0.05 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1wwv h GLU 72 CO -0.03 0.18 -0.50 1.96 -1.16 0.00 0.00 179.01 179.46 1wwv h GLN 73 N 0.29 0.88 0.47 2.33 1.08 -1.44 -3.29 115.11 115.43 1wwv h GLN 73 Ca 0.67 -0.54 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1wwv h GLN 73 Cb 1.86 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.34 1wwv h GLN 73 CO -0.33 1.18 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.42 1wwv h LEU 74 N 0.67 -0.54 -1.63 1.46 3.38 0.03 -2.55 115.31 116.14 1wwv h LEU 74 Ca 0.03 -0.02 0.48 0.00 0.09 0.00 0.00 57.88 58.46 1wwv h LEU 74 Cb 1.10 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1wwv h LEU 74 CO 0.11 -0.33 1.17 0.00 0.09 0.00 0.00 178.44 179.48 1wwv n GLN 75 N -5.34 -0.00 0.01 1.13 6.02 -0.57 -0.26 117.38 118.37 1wwv n GLN 75 Ca -0.12 0.93 -0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1wwv n GLN 75 Cb 0.28 -2.12 -0.00 0.00 1.02 0.00 0.00 30.24 29.42 1wwv n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwv h ALA 76 N 0.89 -0.49 -0.65 -1.58 0.00 -1.56 -2.41 119.26 113.46 1wwv h ALA 76 Ca 0.80 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.86 1wwv h ALA 76 Cb 3.14 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.91 1wwv h ALA 76 CO -0.05 -0.49 0.45 1.37 0.00 0.00 0.00 179.25 180.53 1wwv h LEU 77 N -0.05 0.17 -0.49 0.00 8.10 -0.97 0.24 115.31 122.31 1wwv h LEU 77 Ca -0.00 0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.96 1wwv h LEU 77 Cb 0.02 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 1wwv h LEU 77 CO 0.00 0.09 0.15 -1.28 -4.11 0.00 0.00 178.44 173.30 1wwv h SER 78 N 0.18 0.72 0.00 0.17 0.87 -0.70 -3.27 113.55 111.53 1wwv h SER 78 Ca 0.31 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1wwv h SER 78 Cb 0.97 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1wwv h SER 78 CO -0.05 0.73 -0.00 -1.28 -0.53 0.00 0.00 176.83 175.70 1wwv h SER 79 N 0.66 -0.00 -0.64 6.23 0.87 -0.57 -3.41 113.55 116.70 1wwv h SER 79 Ca 0.16 -0.90 -0.38 0.00 -1.23 0.00 0.00 61.79 59.43 1wwv h SER 79 Cb 0.27 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 1wwv h SER 79 CO -0.00 0.91 1.14 -0.60 -0.53 0.00 0.00 176.83 177.75 1wwv s ARG 80 N -2.51 2.77 -0.13 2.24 6.06 0.67 -4.93 118.95 123.12 1wwv s ARG 80 Ca -0.18 -1.00 -0.29 0.00 -2.50 0.00 0.00 55.73 51.75 1wwv s ARG 80 Cb -0.02 -5.23 -0.01 0.00 0.06 0.00 0.00 34.95 29.74 1wwv s ARG 80 CO 0.67 -3.47 1.03 -0.51 -2.50 0.00 0.00 175.30 170.53 1wwv s LEU 81 N 9.48 4.22 0.13 -0.88 1.43 -1.26 -4.75 118.68 127.05 1wwv s LEU 81 Ca 0.65 1.52 -0.25 0.00 -1.03 0.00 0.00 54.13 55.02 1wwv s LEU 81 Cb -0.02 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.72 1wwv s LEU 81 CO 0.07 -0.51 0.89 0.00 0.23 0.00 0.00 176.35 177.02 1wwv s GLN 82 N 2.32 1.18 -0.01 1.70 -2.07 -1.26 -5.14 119.66 116.37 1wwv s GLN 82 Ca 0.48 -0.60 0.03 0.00 -1.82 0.00 0.00 55.36 53.45 1wwv s GLN 82 Cb -0.18 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 1wwv s GLN 82 CO 0.16 -0.53 -0.10 0.95 -1.32 0.00 0.00 175.29 174.44 1wwv s THR 83 N -3.35 0.79 -0.21 3.63 -4.23 -1.26 -4.56 115.64 106.45 1wwv s THR 83 Ca 0.10 -0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 60.08 1wwv s THR 83 Cb -0.02 -0.67 -0.09 0.00 1.34 0.00 0.00 72.50 73.06 1wwv s THR 83 CO -0.01 0.23 -0.28 1.21 -0.54 0.00 0.00 174.62 175.23 1wwv n GLU 84 N 2.93 0.46 -3.68 3.99 2.13 -1.26 -5.00 120.64 120.21 1wwv n GLU 84 Ca -0.15 0.20 -0.16 0.00 0.66 0.00 0.00 57.16 57.72 1wwv n GLU 84 Cb 0.56 -1.27 -0.15 0.00 0.27 0.00 0.00 31.44 30.85 1wwv n GLU 84 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1wwv s ASN 85 N -6.88 0.55 -0.08 4.31 3.84 -1.26 -5.12 114.94 110.30 1wwv s ASN 85 Ca -0.30 0.39 -0.36 0.00 0.21 0.00 0.00 52.86 52.80 1wwv s ASN 85 Cb 0.11 0.36 -0.14 0.00 -0.55 0.00 0.00 41.25 41.03 1wwv s ASN 85 CO 0.38 -0.23 1.71 -1.54 -2.79 0.00 0.00 177.10 174.63 1wwv n SER 86 N 5.18 2.78 0.00 -4.21 3.41 -1.26 -4.82 113.62 114.70 1wwv n SER 86 Ca -0.08 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1wwv n SER 86 Cb 0.50 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1wwv n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwv n GLY 87 N 3.89 4.88 3.75 5.00 0.00 -1.26 -5.11 105.19 116.33 1wwv n GLY 87 Ca 0.22 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1wwv n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwv s PRO 88 N -4.85 4.43 0.07 1.61 0.04 -1.26 -5.04 135.00 129.99 1wwv s PRO 88 Ca 0.00 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1wwv s PRO 88 Cb 0.00 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 1wwv s PRO 88 CO 0.00 -0.15 -0.06 -1.54 0.04 0.00 0.00 177.00 175.30 1wwv s SER 89 N -0.12 0.84 -0.64 6.66 1.04 -1.26 -5.10 113.70 115.12 1wwv s SER 89 Ca 0.52 -0.86 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 1wwv s SER 89 Cb -0.37 0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.88 1wwv s SER 89 CO 0.43 -0.43 1.41 -0.44 0.98 0.00 0.00 173.24 175.19 1wwv s SER 90 N -2.55 6.04 0.00 7.02 0.01 -1.26 -5.19 113.70 117.77 1wwv s SER 90 Ca 0.03 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1wwv s SER 90 Cb 0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wwv s SER 90 CO -0.05 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.38