#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 4.85 -1.48 1.61 0.15 -1.26 -4.69 113.70 112.88 1wwv s SER 2 Ca 0.00 -1.45 -0.13 0.00 0.70 0.00 0.00 55.95 55.07 1wwv s SER 2 Cb 0.00 -1.69 0.09 0.00 -1.71 0.00 0.00 66.02 62.71 1wwv s SER 2 CO 0.00 -0.29 0.75 -1.20 1.20 0.00 0.00 173.24 173.70 1wwv n SER 3 N 4.56 -4.22 -4.88 5.45 7.64 -1.26 -4.94 113.62 115.97 1wwv n SER 3 Ca -0.11 -0.66 -0.30 0.00 1.01 0.00 0.00 58.87 58.81 1wwv n SER 3 Cb 0.43 -3.43 0.03 0.00 -1.01 0.00 0.00 64.21 60.23 1wwv n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wwv s GLY 4 N -3.05 1.63 -0.30 0.23 0.00 -1.26 -5.02 107.32 99.55 1wwv s GLY 4 Ca 0.57 -0.27 -0.25 0.00 0.00 0.00 0.00 44.72 44.77 1wwv s GLY 4 CO 0.70 0.04 0.86 -1.35 0.00 0.00 0.00 173.10 173.35 1wwv s SER 5 N -4.26 6.74 -0.15 1.64 1.04 -1.26 -4.93 113.70 112.53 1wwv s SER 5 Ca 0.56 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.76 1wwv s SER 5 Cb -0.11 -2.44 0.04 0.00 0.10 0.00 0.00 66.02 63.61 1wwv s SER 5 CO 0.52 -0.67 2.31 -1.54 0.98 0.00 0.00 173.24 174.83 1wwv n SER 6 N 6.35 5.81 -2.40 7.02 3.41 -1.26 -4.86 113.62 127.69 1wwv n SER 6 Ca 0.06 -2.71 -0.05 0.00 -0.26 0.00 0.00 58.87 55.91 1wwv n SER 6 Cb 0.48 -1.16 -0.01 0.00 -0.26 0.00 0.00 64.21 63.26 1wwv n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwv n GLY 7 N 1.20 3.87 3.82 5.00 0.00 -1.26 -5.14 105.19 112.67 1wwv n GLY 7 Ca 0.20 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 1wwv n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wwv s MET 8 N -2.28 3.17 0.71 1.61 0.00 -1.26 -5.09 119.30 116.15 1wwv s MET 8 Ca 0.01 -0.45 -0.16 0.00 0.00 0.00 0.00 55.69 55.09 1wwv s MET 8 Cb -0.00 -2.92 0.03 0.00 0.00 0.00 0.00 34.83 31.94 1wwv s MET 8 CO 0.01 0.65 1.21 -1.83 0.00 0.00 0.00 175.02 175.06 1wwv s GLU 9 N -1.87 2.26 0.42 3.16 -1.05 -1.26 -4.97 118.70 115.39 1wwv s GLU 9 Ca 0.25 1.79 -0.25 0.00 -0.15 0.00 0.00 54.97 56.61 1wwv s GLU 9 Cb -0.12 -1.84 -0.08 0.00 -0.44 0.00 0.00 34.13 31.64 1wwv s GLU 9 CO 0.16 -1.75 1.18 -1.25 0.95 0.00 0.00 175.26 174.55 1wwv s PRO 10 N -3.81 3.95 0.37 -4.83 0.04 -1.26 -4.94 135.00 124.52 1wwv s PRO 10 Ca 0.75 1.85 0.10 0.00 0.04 0.00 0.00 61.00 63.75 1wwv s PRO 10 Cb -0.30 -2.60 0.71 0.00 0.04 0.00 0.00 34.50 32.35 1wwv s PRO 10 CO 0.44 -0.41 1.85 0.28 0.04 0.00 0.00 177.00 179.20 1wwv h VAL 11 N 2.20 1.23 0.00 -0.36 2.07 -1.93 -2.03 116.25 117.44 1wwv h VAL 11 Ca -0.49 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1wwv h VAL 11 Cb 1.24 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1wwv h VAL 11 CO 0.62 0.32 0.00 -1.84 0.02 0.00 0.00 177.57 176.69 1wwv n GLU 12 N -4.17 0.05 -0.00 1.57 0.28 -1.26 -1.28 120.64 115.83 1wwv n GLU 12 Ca -0.01 0.48 0.06 0.00 -0.16 0.00 0.00 57.16 57.52 1wwv n GLU 12 Cb 0.36 -1.64 -0.09 0.00 1.43 0.00 0.00 31.44 31.50 1wwv n GLU 12 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wwv n THR 13 N -1.74 0.00 -1.40 3.84 -2.24 -0.78 -2.66 114.28 109.30 1wwv n THR 13 Ca 0.00 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 1wwv n THR 13 Cb 0.06 0.38 0.05 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.79 -0.51 -2.64 4.78 7.02 -0.40 -4.85 117.44 119.05 1wwv n TRP 14 Ca -0.01 0.40 -0.29 0.00 -1.02 0.00 0.00 57.50 56.57 1wwv n TRP 14 Cb 0.28 -1.96 -0.02 0.00 -2.42 0.00 0.00 31.31 27.19 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 -1.78 4.81 -2.00 -0.99 -4.23 -1.26 -1.94 115.64 108.25 1wwv s THR 15 Ca 0.68 0.53 0.10 0.00 -1.18 0.00 0.00 61.69 61.82 1wwv s THR 15 Cb -0.40 -3.80 0.28 0.00 1.34 0.00 0.00 72.50 69.92 1wwv s THR 15 CO 0.55 -0.72 1.02 -0.81 -0.54 0.00 0.00 174.62 174.12 1wwv n PRO 16 N -1.83 0.49 -0.00 3.99 -0.04 -1.26 -2.15 135.00 134.20 1wwv n PRO 16 Ca 0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 1wwv n PRO 16 Cb 0.54 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.57 0.14 0.55 0.00 -1.26 -4.13 105.19 99.90 1wwv n GLY 17 Ca 0.07 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.71 0.74 -0.54 1.61 5.02 -0.91 -4.16 118.16 118.19 1wwv n LYS 18 Ca -0.00 0.26 0.44 0.00 -2.02 0.00 0.00 58.31 56.98 1wwv n LYS 18 Cb 0.32 -1.68 0.74 0.00 -0.02 0.00 0.00 35.03 34.39 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 0.01 0.09 -0.71 -0.18 2.07 -1.79 0.77 116.25 116.52 1wwv h VAL 19 Ca -0.45 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.13 1wwv h VAL 19 Cb 1.98 0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1wwv h VAL 19 CO 0.05 0.01 0.38 0.00 0.02 0.00 0.00 177.57 178.03 1wwv h ALA 20 N 1.34 0.96 -0.24 1.67 0.00 -1.83 0.35 119.26 121.50 1wwv h ALA 20 Ca 0.85 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.66 1wwv h ALA 20 Cb 3.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.74 1wwv h ALA 20 CO -0.22 0.04 -0.37 1.15 0.00 0.00 0.00 179.25 179.85 1wwv h THR 21 N 0.69 1.29 0.00 0.00 2.02 0.31 -0.63 112.91 116.59 1wwv h THR 21 Ca 0.33 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1wwv h THR 21 Cb 0.25 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1wwv h THR 21 CO -0.21 0.48 -0.14 -0.25 0.37 0.00 0.00 175.52 175.76 1wwv h TRP 22 N 0.46 0.00 0.10 3.16 7.01 -1.14 -2.89 115.95 122.64 1wwv h TRP 22 Ca 0.05 0.00 -0.23 0.00 2.11 0.00 0.00 58.89 60.81 1wwv h TRP 22 Cb 0.86 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.91 1wwv h TRP 22 CO 0.03 0.14 -1.18 -0.07 -2.79 0.00 0.00 178.44 174.58 1wwv h LEU 23 N 0.00 0.32 -1.87 0.65 3.38 -0.06 -3.17 115.31 114.56 1wwv h LEU 23 Ca -0.00 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 57.10 1wwv h LEU 23 Cb 0.93 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1wwv h LEU 23 CO 0.02 1.51 -0.12 0.08 0.09 0.00 0.00 178.44 180.02 1wwv h ARG 24 N -0.45 0.00 0.02 1.13 -0.00 -1.18 -2.69 114.38 111.20 1wwv h ARG 24 Ca -0.26 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.45 1wwv h ARG 24 Cb 1.62 0.00 0.02 0.00 -0.00 0.00 0.00 29.97 31.62 1wwv h ARG 24 CO 0.04 0.12 -1.07 0.78 -0.00 0.00 0.00 179.97 179.84 1wwv h GLY 25 N 0.52 0.76 -0.99 0.08 0.00 -1.62 -3.30 103.07 98.52 1wwv h GLY 25 Ca -0.00 -1.38 0.32 0.00 0.00 0.00 0.00 47.33 46.27 1wwv h GLY 25 CO 0.02 1.22 0.19 1.41 0.00 0.00 0.00 176.54 179.38 1wwv h LEU 26 N 0.35 -0.23 -7.11 3.11 3.38 -1.44 -3.43 115.31 109.93 1wwv h LEU 26 Ca -0.14 0.28 0.21 0.00 0.09 0.00 0.00 57.88 58.32 1wwv h LEU 26 Cb 1.73 0.42 -0.15 0.00 0.09 0.00 0.00 40.66 42.75 1wwv h LEU 26 CO 0.21 -0.39 0.68 -0.62 0.09 0.00 0.00 178.44 178.41 1wwv s ASP 27 N -4.85 -0.20 0.34 -0.43 -1.08 -1.24 -5.03 116.67 104.18 1wwv s ASP 27 Ca -0.12 -0.07 0.18 0.00 -0.52 0.00 0.00 52.55 52.02 1wwv s ASP 27 Cb 0.31 0.26 0.20 0.00 -1.46 0.00 0.00 42.92 42.23 1wwv s ASP 27 CO 0.78 -0.44 1.52 -2.24 0.52 0.00 0.00 175.17 175.31 1wwv h ASP 28 N 2.00 0.00 0.38 -0.34 2.03 -1.85 -3.12 116.42 115.53 1wwv h ASP 28 Ca -0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 1wwv h ASP 28 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1wwv h ASP 28 CO 0.26 0.34 0.00 0.28 -1.03 0.00 0.00 179.24 179.09 1wwv h SER 29 N 0.00 0.00 0.00 4.15 0.02 -1.95 -2.24 113.55 113.52 1wwv h SER 29 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 1wwv h SER 29 Cb 1.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 1wwv h SER 29 CO 0.04 0.00 -2.04 0.18 -1.14 0.00 0.00 176.83 173.88 1wwv n LEU 30 N -2.83 0.00 0.20 5.07 4.77 -1.20 -4.37 117.00 118.63 1wwv n LEU 30 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1wwv n LEU 30 Cb 0.15 0.22 0.43 0.00 -2.33 0.00 0.00 43.42 41.89 1wwv n LEU 30 CO 0.20 0.22 1.11 1.56 -1.33 0.00 0.00 177.39 179.15 1wwv h GLN 31 N 0.00 0.00 -0.02 3.23 4.20 -1.34 0.39 115.11 121.58 1wwv h GLN 31 Ca -0.24 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1wwv h GLN 31 Cb 1.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1wwv h GLN 31 CO 0.01 0.00 -0.08 -0.44 -0.67 0.00 0.00 178.83 177.66 1wwv h ASP 32 N 0.00 0.09 -1.84 1.46 5.19 -1.76 -3.45 116.42 116.11 1wwv h ASP 32 Ca 0.12 -0.67 -0.66 0.00 -0.62 0.00 0.00 57.03 55.21 1wwv h ASP 32 Cb 1.65 -0.03 0.06 0.00 0.18 0.00 0.00 39.33 41.19 1wwv h ASP 32 CO -0.00 0.75 0.50 -1.22 -3.12 0.00 0.00 179.24 176.14 1wwv n TYR 33 N -4.69 1.64 -2.06 4.55 4.01 0.14 -4.80 117.16 115.96 1wwv n TYR 33 Ca -0.09 0.57 -0.28 0.00 -0.16 0.00 0.00 57.90 57.95 1wwv n TYR 33 Cb 0.37 -2.37 -0.06 0.00 -0.31 0.00 0.00 39.34 36.98 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 0.44 2.50 0.18 -0.72 0.04 -1.26 -4.77 135.00 131.41 1wwv s PRO 34 Ca 0.82 -0.97 -0.13 0.00 0.04 0.00 0.00 61.00 60.76 1wwv s PRO 34 Cb -0.89 -5.20 0.09 0.00 0.04 0.00 0.00 34.50 28.54 1wwv s PRO 34 CO 0.46 -3.87 1.84 0.74 0.04 0.00 0.00 177.00 176.21 1wwv h PHE 35 N 10.08 0.75 0.00 0.56 0.04 -1.91 -0.93 116.94 125.53 1wwv h PHE 35 Ca 0.19 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1wwv h PHE 35 Cb 0.95 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1wwv h PHE 35 CO 1.21 0.48 0.19 0.93 -0.60 0.00 0.00 178.31 180.52 1wwv h GLU 36 N 0.80 0.00 0.06 1.51 5.08 -1.94 0.28 114.58 120.37 1wwv h GLU 36 Ca 0.22 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.21 1wwv h GLU 36 Cb -0.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1wwv h GLU 36 CO -0.05 0.00 -2.15 -3.47 -1.00 0.00 0.00 179.01 172.35 1wwv n ASP 37 N -2.25 1.80 -0.35 1.42 2.03 -0.39 -4.25 116.55 114.56 1wwv n ASP 37 Ca -0.01 0.11 0.25 0.00 0.52 0.00 0.00 54.79 55.65 1wwv n ASP 37 Cb 0.22 -0.51 0.51 0.00 -0.72 0.00 0.00 41.12 40.62 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1wwv h TRP 38 N 0.04 0.76 -6.16 -0.67 4.06 -0.54 -3.44 115.95 109.99 1wwv h TRP 38 Ca -0.47 0.03 -0.42 0.00 2.06 0.00 0.00 58.89 60.09 1wwv h TRP 38 Cb 2.01 -0.21 -0.19 0.00 -1.00 0.00 0.00 29.16 29.76 1wwv h TRP 38 CO 0.05 -0.04 -0.61 1.04 -3.56 0.00 0.00 178.44 175.32 1wwv n GLN 39 N -4.78 -2.32 -3.37 0.49 6.02 -1.21 -4.88 117.38 107.33 1wwv n GLN 39 Ca 0.29 0.25 -0.39 0.00 -0.01 0.00 0.00 57.00 57.14 1wwv n GLN 39 Cb 0.98 -4.87 -0.08 0.00 1.02 0.00 0.00 30.24 27.29 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 -6.57 4.09 0.73 1.08 2.96 -1.26 -4.89 118.68 114.82 1wwv s LEU 40 Ca 0.53 0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 54.73 1wwv s LEU 40 Cb -0.30 -2.49 0.03 0.00 0.50 0.00 0.00 46.19 43.93 1wwv s LEU 40 CO 0.64 -0.16 1.10 -2.16 -1.32 0.00 0.00 176.35 174.46 1wwv s PRO 41 N 1.80 2.47 0.14 0.98 0.04 -1.26 -4.15 135.00 135.01 1wwv s PRO 41 Ca 0.17 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.29 1wwv s PRO 41 Cb -0.15 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1wwv s PRO 41 CO 0.09 -1.49 1.77 0.78 0.04 0.00 0.00 177.00 178.19 1wwv h GLY 42 N -0.68 0.48 -0.83 0.56 0.00 -1.56 -1.58 103.07 99.46 1wwv h GLY 42 Ca -0.45 -0.20 0.24 0.00 0.00 0.00 0.00 47.33 46.93 1wwv h GLY 42 CO 0.52 0.19 -0.00 0.07 0.00 0.00 0.00 176.54 177.33 1wwv h LYS 43 N 0.44 0.03 0.00 4.80 2.10 -1.56 1.44 116.57 123.83 1wwv h LYS 43 Ca 0.12 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1wwv h LYS 43 Cb -0.00 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1wwv h LYS 43 CO -0.02 0.02 -0.16 -0.91 -2.00 0.00 0.00 179.45 176.38 1wwv h ASN 44 N 0.03 0.00 0.27 7.07 2.35 -1.82 -3.24 115.58 120.24 1wwv h ASN 44 Ca 0.55 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.26 1wwv h ASN 44 Cb 1.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1wwv h ASN 44 CO -0.87 0.01 -0.19 0.25 -1.65 0.00 0.00 177.43 174.97 1wwv h LEU 45 N 0.00 0.00 0.00 1.61 5.85 0.30 -0.08 115.31 122.99 1wwv h LEU 45 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1wwv h LEU 45 Cb 1.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1wwv h LEU 45 CO 0.00 0.19 -0.86 -0.07 -0.34 0.00 0.00 178.44 177.36 1wwv h LEU 46 N 0.00 0.00 -3.40 2.25 3.38 -1.37 -3.31 115.31 112.85 1wwv h LEU 46 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1wwv h LEU 46 Cb 0.38 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 1wwv h LEU 46 CO 0.02 0.39 -0.05 0.00 0.09 0.00 0.00 178.44 178.90 1wwv n GLN 47 N -3.00 1.89 -1.23 1.13 10.64 -0.80 -4.96 117.38 121.04 1wwv n GLN 47 Ca -0.02 -3.21 -0.32 0.00 -1.83 0.00 0.00 57.00 51.62 1wwv n GLN 47 Cb 0.72 -1.85 0.10 0.00 -0.86 0.00 0.00 30.24 28.35 1wwv n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1wwv s LEU 48 N -3.28 3.07 0.06 2.61 1.43 -0.11 -4.99 118.68 117.48 1wwv s LEU 48 Ca 0.46 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 1wwv s LEU 48 Cb 0.41 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.06 1wwv s LEU 48 CO 0.00 -2.22 -0.05 0.00 0.23 0.00 0.00 176.35 174.31 1wwv n PRO 50 N 0.54 0.06 -0.01 0.00 -0.04 -1.26 -2.15 135.00 132.14 1wwv n PRO 50 Ca -0.17 0.22 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 1wwv n PRO 50 Cb 0.59 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 1wwv n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wwv n GLN 51 N -1.44 0.68 -0.04 0.54 3.00 -1.26 -4.13 117.38 114.74 1wwv n GLN 51 Ca 0.04 0.29 -0.16 0.00 -0.01 0.00 0.00 57.00 57.16 1wwv n GLN 51 Cb 0.15 -1.76 -0.13 0.00 0.00 0.00 0.00 30.24 28.49 1wwv n GLN 51 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1wwv h SER 52 N 0.03 0.14 -0.97 1.08 0.87 -1.90 -3.33 113.55 109.47 1wwv h SER 52 Ca -0.34 -0.95 0.32 0.00 -1.23 0.00 0.00 61.79 59.60 1wwv h SER 52 Cb 2.02 -0.05 -0.16 0.00 -0.44 0.00 0.00 62.40 63.77 1wwv h SER 52 CO 0.08 1.17 0.37 -0.07 -0.53 0.00 0.00 176.83 177.85 1wwv h LEU 53 N -0.80 0.12 -0.96 2.23 3.38 -1.64 0.66 115.31 118.31 1wwv h LEU 53 Ca -0.08 0.23 0.25 0.00 0.09 0.00 0.00 57.88 58.37 1wwv h LEU 53 Cb 1.23 0.28 -0.13 0.00 0.09 0.00 0.00 40.66 42.13 1wwv h LEU 53 CO 0.03 -0.28 0.50 -0.33 0.09 0.00 0.00 178.44 178.45 1wwv h GLU 54 N 0.13 0.45 -0.63 1.13 5.08 -1.55 0.54 114.58 119.72 1wwv h GLU 54 Ca 0.70 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 59.13 1wwv h GLU 54 Cb 1.63 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 1wwv h GLU 54 CO -0.74 0.30 0.42 0.00 -1.00 0.00 0.00 179.01 177.99 1wwv h ALA 55 N 1.74 1.97 -0.19 3.43 0.00 0.15 0.11 119.26 126.47 1wwv h ALA 55 Ca 0.62 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.48 1wwv h ALA 55 Cb 1.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1wwv h ALA 55 CO -0.52 -0.11 0.05 1.28 0.00 0.00 0.00 179.25 179.96 1wwv n LEU 56 N -4.48 2.82 -1.16 0.00 4.77 0.19 -4.80 117.00 114.34 1wwv n LEU 56 Ca 0.10 -1.44 -0.11 0.00 -0.03 0.00 0.00 56.01 54.54 1wwv n LEU 56 Cb 0.36 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1wwv n LEU 56 CO 0.34 0.44 -0.13 0.00 -1.33 0.00 0.00 177.39 176.71 1wwv n ALA 57 N 0.13 -0.29 -3.88 -1.18 0.00 0.39 -4.98 120.51 110.71 1wwv n ALA 57 Ca 0.10 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 1wwv n ALA 57 Cb 0.60 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.52 3.02 -0.22 0.00 1.01 -1.00 -4.86 120.40 115.83 1wwv s VAL 58 Ca 0.00 -3.81 -0.01 0.00 0.00 0.00 0.00 61.98 58.15 1wwv s VAL 58 Cb 0.00 -3.00 -0.13 0.00 0.00 0.00 0.00 36.38 33.25 1wwv s VAL 58 CO 0.00 -0.93 -0.22 0.54 0.00 0.00 0.00 175.10 174.49 1wwv n ARG 59 N 2.51 0.53 -1.51 2.72 1.74 -1.26 -2.21 116.66 119.19 1wwv n ARG 59 Ca 0.14 0.15 -0.46 0.00 -0.77 0.00 0.00 57.85 56.90 1wwv n ARG 59 Cb 0.34 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 1wwv n ARG 59 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wwv n SER 60 N -3.35 0.23 0.19 0.55 7.64 -1.26 -4.88 113.62 112.74 1wwv n SER 60 Ca -0.40 1.16 -0.08 0.00 1.01 0.00 0.00 58.87 60.55 1wwv n SER 60 Cb 0.89 -1.14 -0.04 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.67 -0.45 -0.76 -3.43 7.12 -1.99 -2.82 115.31 114.65 1wwv h LEU 61 Ca -0.35 0.02 0.21 0.00 0.13 0.00 0.00 57.88 57.88 1wwv h LEU 61 Cb 1.38 0.12 -0.14 0.00 -0.53 0.00 0.00 40.66 41.49 1wwv h LEU 61 CO 0.60 -0.10 0.01 0.61 -0.13 0.00 0.00 178.44 179.42 1wwv n GLY 62 N 0.24 -1.05 0.09 3.75 0.00 -1.26 0.10 105.19 107.06 1wwv n GLY 62 Ca -0.07 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.59 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 0.17 -0.14 1.61 3.86 -1.95 -2.43 115.15 116.27 1wwv h HIS 63 Ca 0.46 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.68 1wwv h HIS 63 Cb 0.94 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.32 1wwv h HIS 63 CO -0.40 0.40 -0.13 1.96 0.86 0.00 0.00 177.93 180.62 1wwv h GLN 64 N -0.11 -0.15 -0.23 2.45 4.20 0.98 -2.55 115.11 119.71 1wwv h GLN 64 Ca 0.03 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.80 1wwv h GLN 64 Cb 0.33 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1wwv h GLN 64 CO 0.00 -0.10 -0.13 1.49 -0.67 0.00 0.00 178.83 179.43 1wwv h GLU 65 N -0.15 -0.11 -0.71 1.46 4.57 -0.92 0.36 114.58 119.08 1wwv h GLU 65 Ca 0.09 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.40 1wwv h GLU 65 Cb 0.29 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.78 1wwv h GLU 65 CO -0.23 -0.07 -0.33 -0.07 -1.18 0.00 0.00 179.01 177.13 1wwv h LEU 66 N -0.11 -1.16 0.17 1.64 3.38 -1.03 0.31 115.31 118.51 1wwv h LEU 66 Ca 0.13 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1wwv h LEU 66 Cb 0.30 0.60 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wwv h LEU 66 CO -0.30 -0.29 -0.08 0.40 0.09 0.00 0.00 178.44 178.26 1wwv h ILE 67 N -0.10 0.00 -1.22 1.22 2.04 -1.16 -3.27 117.51 115.01 1wwv h ILE 67 Ca 0.28 -0.31 0.42 0.00 1.00 0.00 0.00 64.86 66.25 1wwv h ILE 67 Cb 0.56 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.53 1wwv h ILE 67 CO -0.77 0.00 0.79 0.18 0.00 0.00 0.00 178.15 178.36 1wwv n LEU 68 N -3.46 0.17 0.15 1.44 4.77 0.12 -0.31 117.00 119.89 1wwv n LEU 68 Ca -0.03 1.19 -0.16 0.00 -0.03 0.00 0.00 56.01 56.98 1wwv n LEU 68 Cb 0.09 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 1wwv n LEU 68 CO 0.07 -1.29 0.52 1.23 -1.33 0.00 0.00 177.39 176.59 1wwv h GLY 69 N 0.00 -1.19 1.02 -0.72 0.00 -0.43 -2.69 103.07 99.06 1wwv h GLY 69 Ca 0.77 0.62 -0.04 0.00 0.00 0.00 0.00 47.33 48.68 1wwv h GLY 69 CO -0.39 -0.31 0.28 -1.33 0.00 0.00 0.00 176.54 174.80 1wwv h GLY 70 N -0.77 1.11 0.89 4.60 0.00 -0.78 -2.26 103.07 105.86 1wwv h GLY 70 Ca -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.73 1wwv h GLY 70 CO -0.21 0.57 0.53 -2.08 0.00 0.00 0.00 176.54 175.35 1wwv h VAL 71 N 0.99 0.05 0.21 4.60 2.07 -1.17 0.40 116.25 123.39 1wwv h VAL 71 Ca 0.23 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.40 1wwv h VAL 71 Cb 0.21 0.49 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1wwv h VAL 71 CO -0.02 0.00 -1.66 -0.33 0.02 0.00 0.00 177.57 175.58 1wwv h GLU 72 N 0.00 0.44 0.00 1.57 5.08 -1.09 -3.19 114.58 117.39 1wwv h GLU 72 Ca 0.05 -0.76 -0.10 0.00 -1.00 0.00 0.00 59.36 57.55 1wwv h GLU 72 Cb 1.10 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1wwv h GLU 72 CO -0.00 1.36 -0.47 -0.56 -1.00 0.00 0.00 179.01 178.33 1wwv h GLN 73 N 0.12 0.00 0.28 2.33 3.07 -0.29 -3.24 115.11 117.38 1wwv h GLN 73 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.41 1wwv h GLN 73 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.69 1wwv h GLN 73 CO 0.21 0.47 -0.13 -0.07 0.09 0.00 0.00 178.83 179.40 1wwv h LEU 74 N 0.00 -0.32 -1.35 0.06 3.38 -1.31 -2.99 115.31 112.79 1wwv h LEU 74 Ca -0.00 -0.21 0.36 0.00 0.09 0.00 0.00 57.88 58.12 1wwv h LEU 74 Cb 0.88 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1wwv h LEU 74 CO 0.06 0.10 1.24 1.56 0.09 0.00 0.00 178.44 181.48 1wwv h GLN 75 N -0.80 0.00 0.00 1.13 4.20 -1.57 0.30 115.11 118.37 1wwv h GLN 75 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1wwv h GLN 75 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1wwv h GLN 75 CO 0.06 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.22 1wwv n ALA 76 N -2.43 -0.09 -0.04 3.87 0.00 -1.13 -3.92 120.51 116.77 1wwv n ALA 76 Ca 0.28 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.95 1wwv n ALA 76 Cb 1.61 0.00 0.71 0.00 0.00 0.00 0.00 19.45 21.78 1wwv n ALA 76 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1wwv h LEU 77 N 0.00 0.00-10.15 0.00 8.10 -1.19 -3.34 115.31 108.73 1wwv h LEU 77 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 57.88 57.51 1wwv h LEU 77 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1wwv h LEU 77 CO 0.00 0.00 0.21 -0.55 -4.11 0.00 0.00 178.44 173.99 1wwv s SER 78 N -5.86 6.59 -1.53 0.17 0.15 0.93 -3.99 113.70 110.17 1wwv s SER 78 Ca -0.05 1.31 -0.16 0.00 0.70 0.00 0.00 55.95 57.76 1wwv s SER 78 Cb 0.19 -2.40 0.16 0.00 -1.71 0.00 0.00 66.02 62.26 1wwv s SER 78 CO 0.71 -0.44 0.39 -0.24 1.20 0.00 0.00 173.24 174.86 1wwv n SER 79 N -1.28 -1.03 -3.51 5.45 2.88 -1.26 -4.67 113.62 110.20 1wwv n SER 79 Ca 0.04 -1.06 -0.42 0.00 -1.33 0.00 0.00 58.87 56.10 1wwv n SER 79 Cb 0.54 -1.35 -0.04 0.00 -0.75 0.00 0.00 64.21 62.61 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 -3.62 0.00 -0.51 -1.46 5.12 -1.26 -4.86 116.66 110.07 1wwv n ARG 80 Ca 0.02 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.67 1wwv n ARG 80 Cb 0.43 -0.99 0.20 0.00 -1.16 0.00 0.00 32.46 30.94 1wwv n ARG 80 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1wwv n LEU 81 N 1.37 -1.61 -4.56 0.55 4.32 -1.26 -4.80 117.00 111.00 1wwv n LEU 81 Ca 0.15 -0.36 -0.41 0.00 -0.02 0.00 0.00 56.01 55.37 1wwv n LEU 81 Cb 0.13 -0.94 -0.03 0.00 -1.62 0.00 0.00 43.42 40.96 1wwv n LEU 81 CO 0.46 -3.46 1.56 -1.58 -1.22 0.00 0.00 177.39 173.15 1wwv s GLN 82 N -3.88 3.60 0.03 3.23 2.00 -1.26 -4.94 119.66 118.44 1wwv s GLN 82 Ca 0.54 -1.23 0.02 0.00 -2.00 0.00 0.00 55.36 52.68 1wwv s GLN 82 Cb -0.12 -5.38 -0.02 0.00 0.80 0.00 0.00 33.01 28.29 1wwv s GLN 82 CO 0.54 -2.29 -0.06 0.99 -0.50 0.00 0.00 175.29 173.97 1wwv s THR 83 N 5.16 0.40 -0.08 -0.34 2.01 -1.26 -5.09 115.64 116.44 1wwv s THR 83 Ca 0.49 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1wwv s THR 83 Cb 0.00 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1wwv s THR 83 CO -0.06 -0.37 -0.16 -0.62 -0.69 0.00 0.00 174.62 172.72 1wwv n GLU 84 N 1.65 0.24 -2.76 4.92 4.71 -1.26 -4.99 120.64 123.14 1wwv n GLU 84 Ca -0.22 0.10 -0.36 0.00 -0.01 0.00 0.00 57.16 56.66 1wwv n GLU 84 Cb 0.55 -0.92 -0.06 0.00 -1.01 0.00 0.00 31.44 30.00 1wwv n GLU 84 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1wwv s ASN 85 N -4.90 7.17 -0.03 1.62 0.02 -1.26 -5.02 114.94 112.54 1wwv s ASN 85 Ca -0.13 1.83 -0.30 0.00 -1.02 0.00 0.00 52.86 53.24 1wwv s ASN 85 Cb 0.02 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.69 1wwv s ASN 85 CO 0.19 -0.19 1.02 -0.55 0.02 0.00 0.00 177.10 177.59 1wwv s SER 86 N -1.75 7.29 -0.60 -1.22 0.15 -1.26 -5.01 113.70 111.30 1wwv s SER 86 Ca 0.54 1.66 -0.12 0.00 0.70 0.00 0.00 55.95 58.73 1wwv s SER 86 Cb -0.17 -2.57 0.15 0.00 -1.71 0.00 0.00 66.02 61.73 1wwv s SER 86 CO 0.22 -0.35 0.52 -0.83 1.20 0.00 0.00 173.24 173.99 1wwv s GLY 87 N 1.07 2.27 0.00 9.45 0.00 -1.26 -4.90 107.32 113.95 1wwv s GLY 87 Ca 0.52 -2.83 0.14 0.00 0.00 0.00 0.00 44.72 42.55 1wwv s GLY 87 CO 0.25 1.18 1.45 -1.55 0.00 0.00 0.00 173.10 174.42 1wwv n PRO 88 N 4.61 0.02 -3.71 2.90 -0.04 -1.26 -4.54 135.00 132.99 1wwv n PRO 88 Ca -0.02 0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 63.30 1wwv n PRO 88 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 1wwv n PRO 88 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wwv s SER 89 N -2.95 5.35 0.10 3.54 0.01 -1.26 -5.00 113.70 113.49 1wwv s SER 89 Ca 0.08 -0.69 -0.30 0.00 1.31 0.00 0.00 55.95 56.35 1wwv s SER 89 Cb 0.09 -1.94 -0.11 0.00 0.21 0.00 0.00 66.02 64.28 1wwv s SER 89 CO 0.25 -0.22 1.62 0.28 0.41 0.00 0.00 173.24 175.58 1wwv h SER 90 N 8.30 -0.94 0.00 2.44 0.02 -2.05 -3.55 113.55 117.77 1wwv h SER 90 Ca -0.31 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1wwv h SER 90 Cb 1.13 0.34 0.00 0.00 0.14 0.00 0.00 62.40 64.01 1wwv h SER 90 CO 0.61 -0.45 0.00 0.61 -1.14 0.00 0.00 176.83 176.47