#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 1.20 0.27 1.61 0.01 -1.26 -5.15 113.70 110.38 1wwv s SER 2 Ca 0.00 -0.19 0.11 0.00 1.31 0.00 0.00 55.95 57.18 1wwv s SER 2 Cb 0.00 -0.21 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1wwv s SER 2 CO 0.00 0.10 -0.11 -0.94 0.41 0.00 0.00 173.24 172.70 1wwv s SER 3 N -0.07 4.02 0.00 2.44 1.04 -1.26 -5.12 113.70 114.75 1wwv s SER 3 Ca 0.01 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1wwv s SER 3 Cb -0.06 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1wwv s SER 3 CO -0.00 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1wwv n GLY 4 N -0.72 3.12 0.14 7.32 0.00 -1.26 -5.05 105.19 108.73 1wwv n GLY 4 Ca -0.06 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 2.08 -0.08 1.61 2.88 -1.26 -4.52 113.62 114.33 1wwv n SER 5 Ca 0.00 0.14 -0.02 0.00 -1.33 0.00 0.00 58.87 57.65 1wwv n SER 5 Cb 0.00 -0.76 -0.02 0.00 -0.75 0.00 0.00 64.21 62.68 1wwv n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wwv n SER 6 N -3.48 -0.21 -4.68 -3.46 2.88 -1.26 -4.46 113.62 98.95 1wwv n SER 6 Ca -0.36 0.95 -0.31 0.00 -1.33 0.00 0.00 58.87 57.83 1wwv n SER 6 Cb 1.02 -0.35 0.16 0.00 -0.75 0.00 0.00 64.21 64.29 1wwv n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wwv s GLY 7 N -1.39 1.69 0.30 0.46 0.00 -1.26 -5.01 107.32 102.11 1wwv s GLY 7 Ca -0.02 0.57 -0.09 0.00 0.00 0.00 0.00 44.72 45.18 1wwv s GLY 7 CO 0.12 0.98 0.62 -3.16 0.00 0.00 0.00 173.10 171.66 1wwv s MET 8 N -4.67 3.76 0.59 2.90 0.00 -1.26 -5.05 119.30 115.57 1wwv s MET 8 Ca 0.66 0.26 -0.19 0.00 0.00 0.00 0.00 55.69 56.43 1wwv s MET 8 Cb -0.22 -2.57 -0.04 0.00 0.00 0.00 0.00 34.83 32.00 1wwv s MET 8 CO 0.58 0.19 1.22 -1.21 0.00 0.00 0.00 175.02 175.80 1wwv s GLU 9 N -3.30 2.97 0.02 3.16 8.01 -1.26 -4.94 118.70 123.35 1wwv s GLU 9 Ca 0.48 1.87 -0.30 0.00 0.01 0.00 0.00 54.97 57.03 1wwv s GLU 9 Cb -0.11 -1.95 -0.06 0.00 -4.31 0.00 0.00 34.13 27.70 1wwv s GLU 9 CO 0.26 -1.22 1.43 -1.25 0.01 0.00 0.00 175.26 174.49 1wwv s PRO 10 N -3.29 4.28 0.56 0.39 0.04 -1.26 -4.89 135.00 130.82 1wwv s PRO 10 Ca 0.77 2.02 0.26 0.00 0.04 0.00 0.00 61.00 64.10 1wwv s PRO 10 Cb -0.32 -3.55 1.50 0.00 0.04 0.00 0.00 34.50 32.18 1wwv s PRO 10 CO 0.34 -0.58 2.04 0.28 0.04 0.00 0.00 177.00 179.12 1wwv h VAL 11 N 4.84 0.60 0.00 -0.36 2.07 -1.93 0.25 116.25 121.73 1wwv h VAL 11 Ca -0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1wwv h VAL 11 Cb 1.18 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1wwv h VAL 11 CO 0.90 0.00 0.00 1.05 0.02 0.00 0.00 177.57 179.54 1wwv h GLU 12 N 0.00 0.00 0.00 1.57 4.11 -1.91 -2.42 114.58 115.94 1wwv h GLU 12 Ca 0.16 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.51 1wwv h GLU 12 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1wwv h GLU 12 CO -0.00 0.00 -1.62 0.25 0.07 0.00 0.00 179.01 177.70 1wwv n THR 13 N -2.34 0.29 -1.31 -1.06 -2.24 0.84 0.07 114.28 108.53 1wwv n THR 13 Ca -0.00 -0.35 -0.45 0.00 -2.27 0.00 0.00 64.05 60.99 1wwv n THR 13 Cb 0.13 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.10 -0.79 -1.86 4.78 7.02 -0.86 -4.64 117.44 118.98 1wwv n TRP 14 Ca -0.08 0.86 -0.33 0.00 -1.02 0.00 0.00 57.50 56.92 1wwv n TRP 14 Cb 0.52 -1.83 0.03 0.00 -2.42 0.00 0.00 31.31 27.61 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 -1.09 3.46 -2.00 -0.99 -4.23 -1.26 -0.18 115.64 109.35 1wwv s THR 15 Ca 0.60 0.68 0.10 0.00 -1.18 0.00 0.00 61.69 61.89 1wwv s THR 15 Cb -0.83 -3.21 0.28 0.00 1.34 0.00 0.00 72.50 70.09 1wwv s THR 15 CO 0.55 -0.42 1.03 -0.81 -0.54 0.00 0.00 174.62 174.43 1wwv n PRO 16 N -2.28 0.49 -0.00 3.99 -0.04 -1.26 -2.07 135.00 133.82 1wwv n PRO 16 Ca 0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1wwv n PRO 16 Cb 0.52 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.34 0.13 0.55 0.00 -1.26 -3.96 105.19 100.28 1wwv n GLY 17 Ca 0.07 -0.40 -0.23 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 -1.34 0.64 -0.59 1.61 5.02 -0.88 -4.22 118.16 118.39 1wwv n LYS 18 Ca 0.03 0.35 0.47 0.00 -2.02 0.00 0.00 58.31 57.14 1wwv n LYS 18 Cb 0.22 -1.65 0.78 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.52 0.10 -0.74 -0.18 2.07 -1.80 0.68 116.25 115.86 1wwv h VAL 19 Ca -0.48 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.12 1wwv h VAL 19 Cb 1.69 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1wwv h VAL 19 CO -0.15 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.84 1wwv h ALA 20 N 1.19 1.03 0.35 1.67 0.00 -1.83 0.59 119.26 122.27 1wwv h ALA 20 Ca 0.85 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.79 1wwv h ALA 20 Cb 3.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 21.00 1wwv h ALA 20 CO -0.09 0.02 -0.17 1.15 0.00 0.00 0.00 179.25 180.16 1wwv h THR 21 N 0.68 0.56 -0.68 0.00 2.02 0.14 -2.02 112.91 113.59 1wwv h THR 21 Ca 0.36 -0.65 0.19 0.00 0.77 0.00 0.00 66.41 67.08 1wwv h THR 21 Cb 0.34 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1wwv h THR 21 CO -0.25 0.11 0.48 -0.25 0.37 0.00 0.00 175.52 175.98 1wwv h TRP 22 N -0.88 0.10 -0.13 3.16 7.01 -1.45 0.15 115.95 123.91 1wwv h TRP 22 Ca -0.05 0.00 -0.21 0.00 2.11 0.00 0.00 58.89 60.74 1wwv h TRP 22 Cb 0.53 -0.03 0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1wwv h TRP 22 CO 0.03 0.03 -0.75 -0.07 -2.79 0.00 0.00 178.44 174.90 1wwv h LEU 23 N 0.08 0.88 -1.54 0.65 3.38 -0.79 -2.81 115.31 115.16 1wwv h LEU 23 Ca 0.33 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1wwv h LEU 23 Cb 1.19 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1wwv h LEU 23 CO -0.03 1.38 -0.04 -0.09 0.09 0.00 0.00 178.44 179.76 1wwv h ARG 24 N 0.43 0.25 -0.08 1.13 1.12 -0.23 -2.70 114.38 114.31 1wwv h ARG 24 Ca -0.06 -0.04 -0.23 0.00 -1.11 0.00 0.00 59.98 58.54 1wwv h ARG 24 Cb 1.38 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 31.31 1wwv h ARG 24 CO 0.15 0.31 -0.85 0.78 -3.11 0.00 0.00 179.97 177.25 1wwv h GLY 25 N 0.58 0.72 -0.93 2.80 0.00 -1.34 -3.31 103.07 101.59 1wwv h GLY 25 Ca 0.06 -1.11 0.14 0.00 0.00 0.00 0.00 47.33 46.42 1wwv h GLY 25 CO 0.01 0.98 -0.38 1.04 0.00 0.00 0.00 176.54 178.19 1wwv n LEU 26 N -3.87 -0.63 -3.74 3.11 4.77 -1.02 -4.77 117.00 110.85 1wwv n LEU 26 Ca -0.08 1.63 -0.05 0.00 -0.03 0.00 0.00 56.01 57.48 1wwv n LEU 26 Cb 0.78 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1wwv n LEU 26 CO 0.53 -1.46 0.64 -1.81 -1.33 0.00 0.00 177.39 173.96 1wwv s ASP 27 N -5.35 -0.23 0.19 -1.43 1.01 -1.25 -5.04 116.67 104.57 1wwv s ASP 27 Ca -0.13 -0.40 0.23 0.00 0.71 0.00 0.00 52.55 52.96 1wwv s ASP 27 Cb 0.18 0.55 0.19 0.00 1.01 0.00 0.00 42.92 44.85 1wwv s ASP 27 CO 0.66 -1.00 1.22 0.44 0.21 0.00 0.00 175.17 176.71 1wwv h ASP 28 N 2.00 0.00 0.81 0.27 3.32 -1.86 -3.18 116.42 117.78 1wwv h ASP 28 Ca -0.23 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1wwv h ASP 28 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1wwv h ASP 28 CO 0.26 0.05 0.00 -0.24 -1.72 0.00 0.00 179.24 177.59 1wwv n SER 29 N -2.45 0.06 -0.04 6.45 2.88 -1.26 -3.20 113.62 116.06 1wwv n SER 29 Ca 0.02 0.51 -0.03 0.00 -1.33 0.00 0.00 58.87 58.04 1wwv n SER 29 Cb 0.50 -0.53 -0.09 0.00 -0.75 0.00 0.00 64.21 63.34 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 -1.57 0.00 0.32 2.46 4.77 -1.24 -4.48 117.00 117.26 1wwv n LEU 30 Ca 0.05 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 1wwv n LEU 30 Cb 0.27 0.21 0.49 0.00 -2.33 0.00 0.00 43.42 42.06 1wwv n LEU 30 CO 0.21 0.21 1.05 0.06 -1.33 0.00 0.00 177.39 177.60 1wwv h GLN 31 N 0.00 0.00 0.02 3.23 3.07 -1.53 0.15 115.11 120.05 1wwv h GLN 31 Ca -0.23 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.51 1wwv h GLN 31 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.98 1wwv h GLN 31 CO 0.01 0.00 -0.01 0.22 0.09 0.00 0.00 178.83 179.15 1wwv h ASP 32 N 0.00 -0.02 -2.21 0.06 3.58 -1.79 -3.45 116.42 112.60 1wwv h ASP 32 Ca 0.00 -0.42 -0.62 0.00 0.42 0.00 0.00 57.03 56.41 1wwv h ASP 32 Cb 1.15 0.00 0.10 0.00 1.72 0.00 0.00 39.33 42.30 1wwv h ASP 32 CO 0.00 0.41 0.17 -1.22 -2.88 0.00 0.00 179.24 175.72 1wwv n TYR 33 N -4.90 1.23 -2.06 0.28 4.02 0.51 -4.79 117.16 111.46 1wwv n TYR 33 Ca -0.08 0.70 -0.27 0.00 -0.01 0.00 0.00 57.90 58.23 1wwv n TYR 33 Cb 0.22 -2.25 -0.06 0.00 -0.02 0.00 0.00 39.34 37.24 1wwv n TYR 33 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1wwv s PRO 34 N -1.05 2.53 0.28 -0.72 0.04 -1.26 -4.75 135.00 130.06 1wwv s PRO 34 Ca 0.65 -0.69 0.10 0.00 0.04 0.00 0.00 61.00 61.09 1wwv s PRO 34 Cb -0.77 -5.15 0.37 0.00 0.04 0.00 0.00 34.50 29.00 1wwv s PRO 34 CO 0.57 -3.66 1.62 0.74 0.04 0.00 0.00 177.00 176.31 1wwv h PHE 35 N 10.57 0.04 0.00 0.56 0.04 -1.90 -2.36 116.94 123.89 1wwv h PHE 35 Ca 0.15 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1wwv h PHE 35 Cb 0.97 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1wwv h PHE 35 CO 1.21 0.62 0.00 0.39 -0.60 0.00 0.00 178.31 179.93 1wwv n GLU 36 N -3.84 0.03 -0.05 1.51 1.02 -1.26 -2.33 120.64 115.72 1wwv n GLU 36 Ca -0.01 0.33 -0.03 0.00 -0.02 0.00 0.00 57.16 57.43 1wwv n GLU 36 Cb 0.60 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 1wwv n GLU 36 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wwv n ASP 37 N -1.61 1.97 -0.26 1.62 8.00 -1.02 -4.51 116.55 120.73 1wwv n ASP 37 Ca 0.03 0.00 0.21 0.00 0.71 0.00 0.00 54.79 55.73 1wwv n ASP 37 Cb 0.14 1.01 0.52 0.00 -0.02 0.00 0.00 41.12 42.77 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1wwv h TRP 38 N 0.00 0.54 -6.77 1.24 4.06 -1.03 -3.44 115.95 110.54 1wwv h TRP 38 Ca -0.25 0.02 -0.53 0.00 2.06 0.00 0.00 58.89 60.18 1wwv h TRP 38 Cb 1.47 -0.16 -0.29 0.00 -1.00 0.00 0.00 29.16 29.17 1wwv h TRP 38 CO 0.00 0.11 -0.78 1.04 -3.56 0.00 0.00 178.44 175.26 1wwv n GLN 39 N -4.52 -1.65 -3.14 0.49 1.13 -1.24 -4.86 117.38 103.58 1wwv n GLN 39 Ca 0.21 0.20 -0.41 0.00 -1.94 0.00 0.00 57.00 55.06 1wwv n GLN 39 Cb 0.77 -4.81 -0.07 0.00 0.11 0.00 0.00 30.24 26.24 1wwv n GLN 39 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1wwv s LEU 40 N -6.98 4.21 0.73 1.08 2.96 -1.25 -4.87 118.68 114.55 1wwv s LEU 40 Ca 0.71 0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 54.74 1wwv s LEU 40 Cb -0.41 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.56 1wwv s LEU 40 CO 0.87 -0.51 1.10 -2.16 -1.32 0.00 0.00 176.35 174.33 1wwv s PRO 41 N 2.60 2.46 0.09 0.98 0.04 -1.26 -4.18 135.00 135.73 1wwv s PRO 41 Ca 0.24 1.25 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 1wwv s PRO 41 Cb -0.15 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.34 1wwv s PRO 41 CO 0.13 -1.49 1.67 0.78 0.04 0.00 0.00 177.00 178.12 1wwv h GLY 42 N -0.69 -0.46 -1.20 0.56 0.00 -0.73 -1.00 103.07 99.55 1wwv h GLY 42 Ca -0.45 0.22 0.45 0.00 0.00 0.00 0.00 47.33 47.56 1wwv h GLY 42 CO 0.52 -0.19 0.86 0.07 0.00 0.00 0.00 176.54 177.80 1wwv h LYS 43 N -0.46 0.06 0.03 4.80 2.10 -0.42 1.47 116.57 124.16 1wwv h LYS 43 Ca -0.01 -0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.37 1wwv h LYS 43 Cb 0.41 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.69 1wwv h LYS 43 CO -0.02 0.04 -1.37 -0.91 -2.00 0.00 0.00 179.45 175.19 1wwv h ASN 44 N 0.06 0.11 -0.11 7.07 4.21 -1.67 -3.24 115.58 122.01 1wwv h ASN 44 Ca 0.84 -0.15 0.04 0.00 1.21 0.00 0.00 56.30 58.24 1wwv h ASN 44 Cb 2.66 -0.04 -0.06 0.00 -1.12 0.00 0.00 38.32 39.76 1wwv h ASN 44 CO -0.44 1.13 -0.34 0.25 -1.29 0.00 0.00 177.43 176.74 1wwv h LEU 45 N 0.02 -1.04 -1.50 1.61 5.85 0.34 1.48 115.31 122.06 1wwv h LEU 45 Ca -0.16 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1wwv h LEU 45 Cb 1.91 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 43.38 1wwv h LEU 45 CO 0.12 -0.37 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.73 1wwv h LEU 46 N -0.42 0.00 -2.73 2.25 3.38 -1.61 -2.22 115.31 113.96 1wwv h LEU 46 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1wwv h LEU 46 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1wwv h LEU 46 CO -0.35 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.23 1wwv n GLN 47 N -3.18 2.72 -0.24 1.13 1.13 0.04 -4.99 117.38 113.99 1wwv n GLN 47 Ca 0.00 -2.59 -0.20 0.00 -1.94 0.00 0.00 57.00 52.28 1wwv n GLN 47 Cb 0.31 -1.54 0.19 0.00 0.11 0.00 0.00 30.24 29.32 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 1.54 0.00 -3.54 1.08 4.77 0.49 -4.98 117.00 116.36 1wwv n LEU 48 Ca 0.23 -0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 55.56 1wwv n LEU 48 Cb 0.60 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1wwv n LEU 48 CO 0.16 -2.44 0.71 0.00 -1.33 0.00 0.00 177.39 174.49 1wwv h PRO 50 N 2.00 0.00 0.04 0.00 0.13 -1.99 -1.71 132.00 130.47 1wwv h PRO 50 Ca -0.22 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.60 1wwv h PRO 50 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1wwv h PRO 50 CO 0.30 0.00 -1.78 0.37 -0.23 0.00 0.00 178.00 176.66 1wwv h GLN 51 N 0.00 0.09 0.01 0.86 5.75 -1.96 -3.37 115.11 116.49 1wwv h GLN 51 Ca 0.00 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1wwv h GLN 51 Cb 0.43 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1wwv h GLN 51 CO 0.00 0.74 -0.01 1.03 -2.65 0.00 0.00 178.83 177.94 1wwv h SER 52 N 0.02 -0.01 -0.97 -0.69 0.87 -1.91 -3.32 113.55 107.54 1wwv h SER 52 Ca -0.32 -0.79 0.30 0.00 -1.23 0.00 0.00 61.79 59.75 1wwv h SER 52 Cb 2.02 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.80 1wwv h SER 52 CO 0.09 0.82 0.13 0.18 -0.53 0.00 0.00 176.83 177.52 1wwv n LEU 53 N -4.69 -0.01 -0.31 2.23 4.77 -0.66 0.11 117.00 118.43 1wwv n LEU 53 Ca -0.09 1.65 0.16 0.00 -0.03 0.00 0.00 56.01 57.69 1wwv n LEU 53 Cb 0.39 -0.65 0.34 0.00 -2.33 0.00 0.00 43.42 41.17 1wwv n LEU 53 CO 0.31 -1.71 1.00 -0.33 -1.33 0.00 0.00 177.39 175.33 1wwv h GLU 54 N 0.00 0.25 -0.99 3.23 5.08 -1.60 0.55 114.58 121.10 1wwv h GLU 54 Ca 0.64 -0.02 0.23 0.00 -1.00 0.00 0.00 59.36 59.22 1wwv h GLU 54 Cb 1.44 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.54 1wwv h GLU 54 CO -0.88 0.17 0.64 0.00 -1.00 0.00 0.00 179.01 177.93 1wwv h ALA 55 N 1.79 2.10 -0.18 3.43 0.00 0.55 0.61 119.26 127.56 1wwv h ALA 55 Ca 0.60 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.50 1wwv h ALA 55 Cb 1.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1wwv h ALA 55 CO -0.63 -0.47 0.07 1.28 0.00 0.00 0.00 179.25 179.50 1wwv n LEU 56 N -4.62 2.94 -1.62 0.00 4.77 0.19 -4.79 117.00 113.87 1wwv n LEU 56 Ca 0.23 -1.50 -0.13 0.00 -0.03 0.00 0.00 56.01 54.58 1wwv n LEU 56 Cb 0.76 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1wwv n LEU 56 CO 0.26 0.47 -0.11 0.00 -1.33 0.00 0.00 177.39 176.68 1wwv n ALA 57 N 0.13 -0.45 -3.80 -1.18 0.00 0.21 -4.97 120.51 110.45 1wwv n ALA 57 Ca 0.10 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 1wwv n ALA 57 Cb 0.62 -1.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 1wwv n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1wwv s VAL 58 N -2.73 3.45 -0.21 0.00 1.01 -1.05 -4.84 120.40 116.02 1wwv s VAL 58 Ca 0.06 -3.90 0.05 0.00 0.00 0.00 0.00 61.98 58.18 1wwv s VAL 58 Cb -0.03 -3.22 -0.20 0.00 0.00 0.00 0.00 36.38 32.93 1wwv s VAL 58 CO 0.08 -1.00 -0.02 0.54 0.00 0.00 0.00 175.10 174.69 1wwv n ARG 59 N 2.37 0.67 -1.49 2.72 3.00 -1.26 -2.64 116.66 120.03 1wwv n ARG 59 Ca 0.17 0.14 -0.40 0.00 -0.01 0.00 0.00 57.85 57.76 1wwv n ARG 59 Cb 0.36 -1.56 0.02 0.00 0.00 0.00 0.00 32.46 31.27 1wwv n ARG 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1wwv n SER 60 N -3.18 -0.53 -0.04 0.55 7.64 -1.26 -4.95 113.62 111.85 1wwv n SER 60 Ca -0.39 0.86 -0.00 0.00 1.01 0.00 0.00 58.87 60.34 1wwv n SER 60 Cb 1.04 -1.19 -0.00 0.00 -1.01 0.00 0.00 64.21 63.05 1wwv n SER 60 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1wwv h LEU 61 N 0.68 0.00 -0.77 -3.43 7.12 -2.00 -3.22 115.31 113.70 1wwv h LEU 61 Ca -0.43 0.00 0.25 0.00 0.13 0.00 0.00 57.88 57.83 1wwv h LEU 61 Cb 1.39 0.00 -0.14 0.00 -0.53 0.00 0.00 40.66 41.38 1wwv h LEU 61 CO 0.50 0.36 0.16 0.61 -0.13 0.00 0.00 178.44 179.94 1wwv n GLY 62 N 1.82 -0.87 0.13 3.75 0.00 -1.26 0.16 105.19 108.92 1wwv n GLY 62 Ca -0.01 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.61 1wwv n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1wwv h HIS 63 N 0.00 0.37 -0.48 1.61 3.86 -1.97 -2.22 115.15 116.32 1wwv h HIS 63 Ca 0.53 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.72 1wwv h HIS 63 Cb 1.24 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 1wwv h HIS 63 CO -0.25 0.46 0.28 1.96 0.86 0.00 0.00 177.93 181.24 1wwv h GLN 64 N 0.17 0.55 -0.73 2.45 4.20 0.15 -2.17 115.11 119.73 1wwv h GLN 64 Ca 0.07 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1wwv h GLN 64 Cb 0.28 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1wwv h GLN 64 CO 0.00 0.36 0.46 0.93 -0.67 0.00 0.00 178.83 179.91 1wwv h GLU 65 N 0.57 0.86 -0.04 1.46 4.39 -0.99 0.47 114.58 121.30 1wwv h GLU 65 Ca 0.20 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.86 1wwv h GLU 65 Cb 0.03 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1wwv h GLU 65 CO -0.09 0.57 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.22 1wwv h LEU 66 N 0.89 -0.13 0.31 1.33 3.38 -0.90 0.34 115.31 120.52 1wwv h LEU 66 Ca 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1wwv h LEU 66 Cb 0.02 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wwv h LEU 66 CO -0.11 -0.06 -0.15 0.40 0.09 0.00 0.00 178.44 178.61 1wwv h ILE 67 N -0.06 0.00 -1.08 1.22 2.04 -1.08 -3.14 117.51 115.42 1wwv h ILE 67 Ca 0.03 -0.37 0.29 0.00 1.00 0.00 0.00 64.86 65.81 1wwv h ILE 67 Cb 0.10 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.10 1wwv h ILE 67 CO -0.08 0.00 0.71 -0.07 0.00 0.00 0.00 178.15 178.71 1wwv h LEU 68 N -0.78 0.34 -1.77 1.44 3.38 -0.14 0.62 115.31 118.41 1wwv h LEU 68 Ca -0.04 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1wwv h LEU 68 Cb 0.31 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wwv h LEU 68 CO 0.07 0.05 -0.14 1.23 0.09 0.00 0.00 178.44 179.74 1wwv h GLY 69 N 0.29 0.00 0.84 0.83 0.00 -0.35 -2.37 103.07 102.31 1wwv h GLY 69 Ca 0.60 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.61 1wwv h GLY 69 CO -0.24 0.00 -1.82 0.61 0.00 0.00 0.00 176.54 175.09 1wwv n GLY 70 N -1.05 -0.88 0.14 4.60 0.00 0.21 -4.26 105.19 103.94 1wwv n GLY 70 Ca -0.02 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1wwv n GLY 70 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wwv h VAL 71 N 0.02 1.17 -1.04 1.61 2.07 -1.01 -2.59 116.25 116.49 1wwv h VAL 71 Ca -0.33 -0.53 0.27 0.00 0.82 0.00 0.00 66.70 66.93 1wwv h VAL 71 Cb 2.03 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.79 1wwv h VAL 71 CO 0.08 0.18 0.70 1.05 0.02 0.00 0.00 177.57 179.59 1wwv h GLU 72 N 0.24 0.26 -0.25 1.57 4.11 -1.61 0.34 114.58 119.25 1wwv h GLU 72 Ca 0.08 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.32 1wwv h GLU 72 Cb 0.19 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1wwv h GLU 72 CO -0.01 0.17 -0.54 1.96 0.07 0.00 0.00 179.01 180.67 1wwv h GLN 73 N 0.27 0.73 0.29 1.06 1.08 -1.64 -3.29 115.11 113.61 1wwv h GLN 73 Ca 0.56 -0.46 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1wwv h GLN 73 Cb 1.65 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.13 1wwv h GLN 73 CO -0.19 1.08 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.56 1wwv h LEU 74 N 0.56 -0.33 -1.49 1.46 3.38 -0.21 -2.82 115.31 115.86 1wwv h LEU 74 Ca 0.01 -0.14 0.43 0.00 0.09 0.00 0.00 57.88 58.27 1wwv h LEU 74 Cb 1.11 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1wwv h LEU 74 CO 0.11 -0.03 1.22 0.00 0.09 0.00 0.00 178.44 179.82 1wwv n GLN 75 N -5.15 0.00 0.04 1.13 6.02 -0.61 -0.44 117.38 118.37 1wwv n GLN 75 Ca -0.10 0.95 -0.02 0.00 -0.01 0.00 0.00 57.00 57.82 1wwv n GLN 75 Cb 0.24 -2.25 -0.01 0.00 1.02 0.00 0.00 30.24 29.25 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 0.75 -0.44 -0.02 -1.58 0.00 -1.61 -3.26 119.26 113.10 1wwv h ALA 76 Ca 0.71 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.60 1wwv h ALA 76 Cb 3.13 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 20.97 1wwv h ALA 76 CO -0.01 -0.44 0.13 1.37 0.00 0.00 0.00 179.25 180.31 1wwv h LEU 77 N -0.25 0.00 -9.27 0.00 8.10 -0.92 -3.39 115.31 109.58 1wwv h LEU 77 Ca -0.01 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 57.42 1wwv h LEU 77 Cb 0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.30 1wwv h LEU 77 CO 0.02 0.00 0.90 -0.55 -4.11 0.00 0.00 178.44 174.70 1wwv s SER 78 N -5.02 6.86 -0.90 0.17 0.15 0.42 -2.64 113.70 112.73 1wwv s SER 78 Ca -0.04 1.98 -0.01 0.00 0.70 0.00 0.00 55.95 58.58 1wwv s SER 78 Cb 0.12 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1wwv s SER 78 CO 0.39 -0.76 0.07 -0.24 1.20 0.00 0.00 173.24 173.90 1wwv n SER 79 N 6.14 -3.65 -3.97 5.45 2.88 -1.26 -4.91 113.62 114.30 1wwv n SER 79 Ca 0.14 -0.04 -0.19 0.00 -1.33 0.00 0.00 58.87 57.45 1wwv n SER 79 Cb 0.44 -2.81 -0.15 0.00 -0.75 0.00 0.00 64.21 60.94 1wwv n SER 79 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1wwv s ARG 80 N -4.68 0.75 0.05 -1.46 3.52 -1.08 -5.12 118.95 110.92 1wwv s ARG 80 Ca 0.04 -0.23 -0.31 0.00 -0.13 0.00 0.00 55.73 55.10 1wwv s ARG 80 Cb -0.02 -0.72 -0.06 0.00 -1.56 0.00 0.00 34.95 32.59 1wwv s ARG 80 CO 0.04 0.08 1.37 -0.51 -0.81 0.00 0.00 175.30 175.48 1wwv s LEU 81 N 0.22 4.34 -1.18 -0.88 1.43 -1.26 -4.90 118.68 116.45 1wwv s LEU 81 Ca -0.03 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 55.03 1wwv s LEU 81 Cb -0.07 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 1wwv s LEU 81 CO 0.00 -0.67 1.91 -1.10 0.23 0.00 0.00 176.35 176.73 1wwv s GLN 82 N 1.79 2.66 -0.30 1.70 -1.52 -1.26 -4.79 119.66 117.94 1wwv s GLN 82 Ca 0.64 -1.19 -0.06 0.00 -1.95 0.00 0.00 55.36 52.79 1wwv s GLN 82 Cb -0.33 -5.26 0.15 0.00 -0.22 0.00 0.00 33.01 27.35 1wwv s GLN 82 CO 0.28 -3.75 0.63 -0.08 -0.25 0.00 0.00 175.29 172.12 1wwv s THR 83 N 10.22 -1.00 -0.20 -0.19 -1.32 -1.26 -5.06 115.64 116.84 1wwv s THR 83 Ca 0.67 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.87 1wwv s THR 83 Cb -0.01 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.09 1wwv s THR 83 CO 0.12 -0.00 0.92 -1.83 -2.21 0.00 0.00 174.62 171.62 1wwv s GLU 84 N 2.88 0.67 0.18 7.08 -1.05 -1.26 -5.05 118.70 122.14 1wwv s GLU 84 Ca 0.05 0.43 -0.27 0.00 -0.15 0.00 0.00 54.97 55.03 1wwv s GLU 84 Cb -0.13 0.32 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1wwv s GLU 84 CO -0.20 -0.16 1.55 -0.91 0.95 0.00 0.00 175.26 176.50 1wwv h ASN 85 N 3.50 -1.81 -0.94 0.83 4.21 -2.03 -0.51 115.58 118.83 1wwv h ASN 85 Ca -0.24 0.30 0.11 0.00 1.21 0.00 0.00 56.30 57.67 1wwv h ASN 85 Cb 1.16 0.83 -0.13 0.00 -1.12 0.00 0.00 38.32 39.06 1wwv h ASN 85 CO 0.22 -0.29 -0.49 -0.24 -1.29 0.00 0.00 177.43 175.35 1wwv n SER 86 N -5.35 -0.86 0.00 5.81 2.88 -1.26 -4.82 113.62 110.02 1wwv n SER 86 Ca 0.03 1.66 0.00 0.00 -1.33 0.00 0.00 58.87 59.24 1wwv n SER 86 Cb 0.32 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1wwv n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwv n GLY 87 N -1.31 0.80 0.23 0.46 0.00 -0.20 -2.86 105.19 102.30 1wwv n GLY 87 Ca 0.05 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -5.64 1.61 0.13 -1.89 -3.43 132.00 122.78 1wwv h PRO 88 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1wwv h PRO 88 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1wwv h PRO 88 CO 0.00 0.00 1.58 0.43 -0.23 0.00 0.00 178.00 179.78 1wwv n SER 89 N -2.81 1.92 0.00 1.44 7.64 -1.14 -4.58 113.62 116.10 1wwv n SER 89 Ca 0.01 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wwv n SER 89 Cb 0.27 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1wwv n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wwv n SER 90 N 12.51 0.30 0.00 6.43 7.64 -1.26 -4.98 113.62 134.26 1wwv n SER 90 Ca 0.44 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1wwv n SER 90 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1wwv n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64