#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 6.78 -0.41 1.61 1.04 -1.26 -4.94 113.70 116.52 1wwv s SER 2 Ca 0.00 0.87 -0.37 0.00 0.48 0.00 0.00 55.95 56.93 1wwv s SER 2 Cb 0.00 -2.44 -0.16 0.00 0.10 0.00 0.00 66.02 63.52 1wwv s SER 2 CO 0.00 -0.63 1.56 -0.24 0.98 0.00 0.00 173.24 174.91 1wwv n SER 3 N 6.26 0.79 -3.74 7.02 2.88 -1.26 -4.91 113.62 120.67 1wwv n SER 3 Ca 0.06 0.75 -0.13 0.00 -1.33 0.00 0.00 58.87 58.22 1wwv n SER 3 Cb 0.48 -0.73 -0.13 0.00 -0.75 0.00 0.00 64.21 63.07 1wwv n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wwv s GLY 4 N 3.81 -0.12 0.02 0.46 0.00 -1.26 -5.12 107.32 105.11 1wwv s GLY 4 Ca 0.93 0.90 -0.38 0.00 0.00 0.00 0.00 44.72 46.17 1wwv s GLY 4 CO 0.60 1.14 1.35 1.44 0.00 0.00 0.00 173.10 177.64 1wwv n SER 5 N 4.12 1.47 0.20 1.64 7.64 -1.26 -4.90 113.62 122.54 1wwv n SER 5 Ca -0.25 1.12 -0.08 0.00 1.01 0.00 0.00 58.87 60.67 1wwv n SER 5 Cb 0.53 -1.14 -0.04 0.00 -1.01 0.00 0.00 64.21 62.55 1wwv n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wwv h SER 6 N 4.63 -0.46 -2.67 6.43 0.02 -2.01 -3.46 113.55 116.03 1wwv h SER 6 Ca -0.48 0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.22 1wwv h SER 6 Cb 1.35 0.12 0.14 0.00 0.14 0.00 0.00 62.40 64.15 1wwv h SER 6 CO 0.78 -0.21 0.03 0.61 -1.14 0.00 0.00 176.83 176.91 1wwv n GLY 7 N -0.17 -2.97 3.19 -3.77 0.00 -1.26 -4.99 105.19 95.22 1wwv n GLY 7 Ca -0.07 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 -4.64 2.53 0.65 1.61 -2.45 -1.26 -5.08 119.30 110.66 1wwv s MET 8 Ca 0.48 -1.94 -0.17 0.00 -1.25 0.00 0.00 55.69 52.81 1wwv s MET 8 Cb -0.06 -3.90 -0.00 0.00 1.25 0.00 0.00 34.83 32.12 1wwv s MET 8 CO 0.38 -1.19 1.19 -1.21 1.05 0.00 0.00 175.02 175.24 1wwv s GLU 9 N 1.03 2.64 0.40 4.11 0.41 -1.26 -4.98 118.70 121.05 1wwv s GLU 9 Ca 0.09 1.73 -0.25 0.00 -0.41 0.00 0.00 54.97 56.12 1wwv s GLU 9 Cb -0.24 -1.90 -0.08 0.00 -1.78 0.00 0.00 34.13 30.13 1wwv s GLU 9 CO -0.02 -1.45 1.19 -1.25 -0.49 0.00 0.00 175.26 173.24 1wwv s PRO 10 N -3.67 4.05 0.25 0.39 0.04 -1.26 -4.89 135.00 129.91 1wwv s PRO 10 Ca 0.75 1.89 -0.05 0.00 0.04 0.00 0.00 61.00 63.63 1wwv s PRO 10 Cb -0.28 -2.70 0.32 0.00 0.04 0.00 0.00 34.50 31.87 1wwv s PRO 10 CO 0.39 -0.34 1.90 0.28 0.04 0.00 0.00 177.00 179.27 1wwv h VAL 11 N 2.36 1.16 0.00 -0.36 2.07 -1.89 -0.30 116.25 119.30 1wwv h VAL 11 Ca -0.49 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1wwv h VAL 11 Cb 1.24 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1wwv h VAL 11 CO 0.63 0.22 0.23 1.05 0.02 0.00 0.00 177.57 179.72 1wwv h GLU 12 N 1.22 0.00 0.00 1.57 4.11 -1.90 0.26 114.58 119.84 1wwv h GLU 12 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 1wwv h GLU 12 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wwv h GLU 12 CO -0.13 0.00 -1.35 0.25 0.07 0.00 0.00 179.01 177.86 1wwv n THR 13 N -2.37 0.00 -1.07 -1.06 -2.24 -0.21 -1.11 114.28 106.22 1wwv n THR 13 Ca -0.01 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.15 1wwv n THR 13 Cb 0.26 0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.93 -2.68 4.78 7.02 0.90 -4.79 117.44 118.95 1wwv n TRP 14 Ca -0.01 0.25 -0.30 0.00 -1.02 0.00 0.00 57.50 56.42 1wwv n TRP 14 Cb 0.28 -1.77 -0.03 0.00 -2.42 0.00 0.00 31.31 27.37 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 -2.09 4.74 -2.00 -0.99 -4.23 -1.26 -2.13 115.64 107.68 1wwv s THR 15 Ca 0.58 0.72 0.08 0.00 -1.18 0.00 0.00 61.69 61.89 1wwv s THR 15 Cb -0.29 -3.75 0.22 0.00 1.34 0.00 0.00 72.50 70.03 1wwv s THR 15 CO 0.66 -0.62 0.92 -0.81 -0.54 0.00 0.00 174.62 174.22 1wwv n PRO 16 N -1.53 0.49 -0.00 3.99 -0.04 -1.26 -2.12 135.00 134.52 1wwv n PRO 16 Ca 0.03 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.56 1wwv n PRO 16 Cb 0.54 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.49 0.13 0.55 0.00 -1.26 -4.08 105.19 100.02 1wwv n GLY 17 Ca 0.06 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.62 0.70 -0.15 1.61 5.02 -0.90 -4.16 118.16 118.65 1wwv n LYS 18 Ca 0.00 0.28 0.26 0.00 -2.02 0.00 0.00 58.31 56.83 1wwv n LYS 18 Cb 0.29 -1.65 0.46 0.00 -0.02 0.00 0.00 35.03 34.10 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 -0.15 0.04 -0.47 -0.18 2.07 -1.80 0.92 116.25 116.69 1wwv h VAL 19 Ca -0.47 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1wwv h VAL 19 Cb 1.88 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1wwv h VAL 19 CO -0.03 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.70 1wwv h ALA 20 N 0.62 0.62 0.06 1.67 0.00 -1.84 -0.26 119.26 120.13 1wwv h ALA 20 Ca 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wwv h ALA 20 Cb 2.66 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1wwv h ALA 20 CO -0.00 0.28 -0.03 1.15 0.00 0.00 0.00 179.25 180.64 1wwv h THR 21 N 0.63 1.02 -0.67 0.00 2.02 0.64 0.33 112.91 116.87 1wwv h THR 21 Ca 0.15 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1wwv h THR 21 Cb 0.28 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1wwv h THR 21 CO -0.00 0.07 0.32 -0.25 0.37 0.00 0.00 175.52 176.03 1wwv h TRP 22 N -0.21 0.95 -0.01 3.16 7.01 -1.51 -1.77 115.95 123.57 1wwv h TRP 22 Ca -0.01 -0.04 -0.15 0.00 2.11 0.00 0.00 58.89 60.80 1wwv h TRP 22 Cb 0.18 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1wwv h TRP 22 CO -0.03 0.69 -0.71 -0.07 -2.79 0.00 0.00 178.44 175.53 1wwv h LEU 23 N 0.95 0.05 -0.79 0.65 3.38 -0.83 -3.10 115.31 115.62 1wwv h LEU 23 Ca 0.23 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1wwv h LEU 23 Cb 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wwv h LEU 23 CO -0.03 0.74 -0.51 -0.09 0.09 0.00 0.00 178.44 178.64 1wwv h ARG 24 N 0.03 0.25 0.00 1.13 1.12 0.28 -2.72 114.38 114.46 1wwv h ARG 24 Ca -0.01 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 1wwv h ARG 24 Cb 1.25 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1wwv h ARG 24 CO 0.09 0.70 0.00 0.41 -3.11 0.00 0.00 179.97 178.06 1wwv n GLY 25 N 0.05 -1.28 1.72 2.80 0.00 -0.72 -4.66 105.19 103.09 1wwv n GLY 25 Ca -0.02 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1wwv n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wwv n LEU 26 N -1.41 0.00 -4.03 0.99 4.77 -1.03 -4.90 117.00 111.40 1wwv n LEU 26 Ca 0.09 -0.59 -0.45 0.00 -0.03 0.00 0.00 56.01 55.03 1wwv n LEU 26 Cb 0.26 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1wwv n LEU 26 CO 0.22 -1.41 0.06 -0.67 -1.33 0.00 0.00 177.39 174.26 1wwv n ASP 27 N -3.77 -1.00 -0.24 -1.43 -0.08 -1.26 -4.64 116.55 104.13 1wwv n ASP 27 Ca 0.07 1.03 0.11 0.00 -1.51 0.00 0.00 54.79 54.50 1wwv n ASP 27 Cb 0.28 -0.86 0.39 0.00 2.34 0.00 0.00 41.12 43.27 1wwv n ASP 27 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1wwv h ASP 28 N 1.14 0.62 0.23 1.67 3.04 -1.90 0.25 116.42 121.46 1wwv h ASP 28 Ca -0.28 0.03 -0.00 0.00 -3.24 0.00 0.00 57.03 53.53 1wwv h ASP 28 Cb 1.31 -0.10 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 1wwv h ASP 28 CO 0.53 0.33 -0.01 -1.28 -2.04 0.00 0.00 179.24 176.77 1wwv h SER 29 N 0.67 0.00 0.75 4.15 0.87 -1.99 -1.17 113.55 116.82 1wwv h SER 29 Ca 0.41 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.84 1wwv h SER 29 Cb 0.64 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 1wwv h SER 29 CO -0.17 0.01 -1.34 0.18 -0.53 0.00 0.00 176.83 174.98 1wwv n LEU 30 N -3.23 0.83 0.26 2.23 4.77 0.83 -3.89 117.00 118.79 1wwv n LEU 30 Ca -0.02 0.35 0.17 0.00 -0.03 0.00 0.00 56.01 56.48 1wwv n LEU 30 Cb 0.13 0.05 0.88 0.00 -2.33 0.00 0.00 43.42 42.15 1wwv n LEU 30 CO 0.23 0.07 1.02 1.56 -1.33 0.00 0.00 177.39 178.94 1wwv h GLN 31 N 0.00 0.00 -0.08 3.23 4.20 -0.76 -1.78 115.11 119.91 1wwv h GLN 31 Ca -0.13 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1wwv h GLN 31 Cb 1.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.22 1wwv h GLN 31 CO 0.03 0.00 -0.17 -0.44 -0.67 0.00 0.00 178.83 177.58 1wwv h ASP 32 N 0.00 0.30 -1.95 1.46 3.32 -1.67 -3.45 116.42 114.42 1wwv h ASP 32 Ca 0.00 -0.57 -0.65 0.00 0.02 0.00 0.00 57.03 55.84 1wwv h ASP 32 Cb 0.10 -0.09 0.07 0.00 0.22 0.00 0.00 39.33 39.64 1wwv h ASP 32 CO 0.00 0.81 0.44 -1.22 -1.72 0.00 0.00 179.24 177.55 1wwv n TYR 33 N -4.57 1.59 -2.07 4.55 4.01 -0.67 -4.79 117.16 115.21 1wwv n TYR 33 Ca -0.08 0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 57.97 1wwv n TYR 33 Cb 0.40 -2.35 -0.06 0.00 -0.31 0.00 0.00 39.34 37.01 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 0.12 2.49 0.15 -0.72 0.04 -1.26 -4.75 135.00 131.07 1wwv s PRO 34 Ca 0.78 -1.17 -0.14 0.00 0.04 0.00 0.00 61.00 60.51 1wwv s PRO 34 Cb -0.85 -5.24 0.02 0.00 0.04 0.00 0.00 34.50 28.47 1wwv s PRO 34 CO 0.48 -3.99 1.70 0.74 0.04 0.00 0.00 177.00 175.98 1wwv h PHE 35 N 9.73 0.71 0.00 0.56 0.04 -1.91 -1.51 116.94 124.56 1wwv h PHE 35 Ca 0.22 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1wwv h PHE 35 Cb 0.94 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1wwv h PHE 35 CO 1.21 0.59 0.04 0.39 -0.60 0.00 0.00 178.31 179.94 1wwv n GLU 36 N -4.59 0.07 -0.10 1.51 1.02 -1.26 -1.04 120.64 116.25 1wwv n GLU 36 Ca 0.01 0.56 -0.12 0.00 -0.02 0.00 0.00 57.16 57.59 1wwv n GLU 36 Cb 0.14 -1.78 -0.15 0.00 -0.02 0.00 0.00 31.44 29.63 1wwv n GLU 36 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1wwv n ASP 37 N -1.90 0.50 -0.28 1.62 -0.08 -0.64 -4.42 116.55 111.35 1wwv n ASP 37 Ca -0.01 -0.02 0.10 0.00 -1.51 0.00 0.00 54.79 53.35 1wwv n ASP 37 Cb 0.05 0.63 0.25 0.00 2.34 0.00 0.00 41.12 44.40 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1wwv h TRP 38 N 0.00 0.49 -5.16 -0.67 4.06 -0.29 -3.45 115.95 110.93 1wwv h TRP 38 Ca -0.55 0.04 -0.37 0.00 2.06 0.00 0.00 58.89 60.07 1wwv h TRP 38 Cb 2.16 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 30.18 1wwv h TRP 38 CO 0.01 -0.06 -0.54 1.04 -3.56 0.00 0.00 178.44 175.33 1wwv n GLN 39 N -5.09 -3.52 -3.25 0.49 6.02 -1.22 -4.92 117.38 105.89 1wwv n GLN 39 Ca 0.19 0.55 -0.39 0.00 -0.01 0.00 0.00 57.00 57.33 1wwv n GLN 39 Cb 0.57 -5.27 -0.07 0.00 1.02 0.00 0.00 30.24 26.50 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 -6.43 4.14 0.40 1.08 2.96 -1.26 -4.86 118.68 114.71 1wwv s LEU 40 Ca 0.35 0.66 -0.25 0.00 -0.22 0.00 0.00 54.13 54.67 1wwv s LEU 40 Cb -0.18 -2.70 -0.08 0.00 0.50 0.00 0.00 46.19 43.73 1wwv s LEU 40 CO 0.43 -0.18 1.19 -2.16 -1.32 0.00 0.00 176.35 174.31 1wwv s PRO 41 N 1.64 4.06 0.23 0.98 0.04 -1.26 -4.14 135.00 136.54 1wwv s PRO 41 Ca 0.24 1.89 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 1wwv s PRO 41 Cb -0.15 -2.70 0.33 0.00 0.04 0.00 0.00 34.50 32.02 1wwv s PRO 41 CO 0.09 -0.33 1.63 0.78 0.04 0.00 0.00 177.00 179.22 1wwv h GLY 42 N 2.68 0.65 -0.95 0.56 0.00 -1.59 0.15 103.07 104.57 1wwv h GLY 42 Ca -0.49 0.15 0.41 0.00 0.00 0.00 0.00 47.33 47.40 1wwv h GLY 42 CO 0.63 -0.26 0.69 0.07 0.00 0.00 0.00 176.54 177.67 1wwv h LYS 43 N 0.06 0.10 0.00 4.80 2.10 -1.13 1.48 116.57 123.98 1wwv h LYS 43 Ca 0.36 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.80 1wwv h LYS 43 Cb 0.59 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.86 1wwv h LYS 43 CO -0.64 0.07 -1.14 -0.91 -2.00 0.00 0.00 179.45 174.83 1wwv h ASN 44 N 0.11 0.00 -0.33 7.07 4.21 -1.01 -3.26 115.58 122.37 1wwv h ASN 44 Ca 0.81 0.00 0.07 0.00 1.21 0.00 0.00 56.30 58.39 1wwv h ASN 44 Cb 2.28 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 39.41 1wwv h ASN 44 CO -0.58 0.83 -0.08 0.25 -1.29 0.00 0.00 177.43 176.56 1wwv h LEU 45 N 0.00 -0.30 -0.55 1.61 5.85 0.28 1.06 115.31 123.26 1wwv h LEU 45 Ca -0.10 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wwv h LEU 45 Cb 1.72 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1wwv h LEU 45 CO 0.09 -0.11 0.00 -0.07 -0.34 0.00 0.00 178.44 178.01 1wwv h LEU 46 N -0.00 0.00 -3.25 2.25 4.07 -1.59 -2.91 115.31 113.88 1wwv h LEU 46 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1wwv h LEU 46 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1wwv h LEU 46 CO -0.34 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.02 1wwv n GLN 47 N -2.62 3.07 -0.94 1.13 1.13 0.08 -5.03 117.38 114.21 1wwv n GLN 47 Ca 0.03 -2.82 -0.29 0.00 -1.94 0.00 0.00 57.00 51.99 1wwv n GLN 47 Cb 0.36 -1.84 0.19 0.00 0.11 0.00 0.00 30.24 29.07 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 -2.69 1.58 0.07 1.08 1.43 0.35 -4.96 118.68 115.54 1wwv s LEU 48 Ca 0.42 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.88 1wwv s LEU 48 Cb 0.33 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 1wwv s LEU 48 CO 0.10 -3.38 0.15 0.00 0.23 0.00 0.00 176.35 173.45 1wwv h PRO 50 N 2.97 0.00 0.00 0.00 0.13 -1.98 -1.65 132.00 131.47 1wwv h PRO 50 Ca -0.34 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.64 1wwv h PRO 50 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1wwv h PRO 50 CO 0.56 0.00 -1.38 0.00 -0.23 0.00 0.00 178.00 176.95 1wwv n GLN 51 N -2.57 0.62 -0.00 0.86 10.64 -1.26 -3.99 117.38 121.68 1wwv n GLN 51 Ca 0.01 0.22 -0.09 0.00 -1.83 0.00 0.00 57.00 55.32 1wwv n GLN 51 Cb 0.25 -1.81 -0.14 0.00 -0.86 0.00 0.00 30.24 27.68 1wwv n GLN 51 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1wwv h SER 52 N 0.00 0.03 0.21 2.61 0.87 -1.88 -3.33 113.55 112.05 1wwv h SER 52 Ca -0.15 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1wwv h SER 52 Cb 1.55 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1wwv h SER 52 CO 0.04 1.04 -0.13 -0.07 -0.53 0.00 0.00 176.83 177.18 1wwv h LEU 53 N 0.00 0.00 -1.91 2.23 3.38 -1.46 -2.02 115.31 115.53 1wwv h LEU 53 Ca -0.24 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1wwv h LEU 53 Cb 1.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1wwv h LEU 53 CO 0.09 0.13 0.07 -0.33 0.09 0.00 0.00 178.44 178.50 1wwv h GLU 54 N 0.00 0.12 -0.20 1.13 5.08 -1.58 -1.03 114.58 118.10 1wwv h GLU 54 Ca -0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1wwv h GLU 54 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1wwv h GLU 54 CO 0.02 0.08 -0.16 0.00 -1.00 0.00 0.00 179.01 177.95 1wwv h ALA 55 N 1.93 1.37 -0.30 3.43 0.00 -1.57 -2.29 119.26 121.83 1wwv h ALA 55 Ca 0.04 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1wwv h ALA 55 Cb 0.02 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 1wwv h ALA 55 CO -0.01 0.43 0.16 1.28 0.00 0.00 0.00 179.25 181.11 1wwv n LEU 56 N -4.22 3.80 -1.40 0.00 4.77 -0.47 -4.79 117.00 114.69 1wwv n LEU 56 Ca -0.00 -1.96 -0.15 0.00 -0.03 0.00 0.00 56.01 53.87 1wwv n LEU 56 Cb 0.31 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1wwv n LEU 56 CO 0.39 0.60 -0.16 0.00 -1.33 0.00 0.00 177.39 176.89 1wwv n ALA 57 N 0.02 -0.33 -3.85 -1.18 0.00 -0.86 -4.96 120.51 109.35 1wwv n ALA 57 Ca 0.17 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1wwv n ALA 57 Cb 0.81 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.64 3.17 -0.19 0.00 1.01 -0.74 -4.84 120.40 116.17 1wwv s VAL 58 Ca 0.00 -3.84 0.05 0.00 0.00 0.00 0.00 61.98 58.19 1wwv s VAL 58 Cb 0.00 -3.08 -0.15 0.00 0.00 0.00 0.00 36.38 33.15 1wwv s VAL 58 CO 0.00 -0.96 -0.11 0.54 0.00 0.00 0.00 175.10 174.57 1wwv n ARG 59 N 2.47 0.76 -1.59 2.72 1.74 -1.26 -2.40 116.66 119.10 1wwv n ARG 59 Ca 0.15 0.08 -0.54 0.00 -0.77 0.00 0.00 57.85 56.77 1wwv n ARG 59 Cb 0.35 -1.41 -0.07 0.00 -1.02 0.00 0.00 32.46 30.31 1wwv n ARG 59 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wwv n SER 60 N -2.95 2.33 0.11 0.55 2.88 -1.26 -4.85 113.62 110.42 1wwv n SER 60 Ca -0.33 0.81 -0.16 0.00 -1.33 0.00 0.00 58.87 57.86 1wwv n SER 60 Cb 0.92 -1.19 -0.09 0.00 -0.75 0.00 0.00 64.21 63.09 1wwv n SER 60 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1wwv h LEU 61 N 9.38 -1.51 -0.83 2.46 7.12 -1.99 -2.16 115.31 127.77 1wwv h LEU 61 Ca -0.38 0.16 0.13 0.00 0.13 0.00 0.00 57.88 57.92 1wwv h LEU 61 Cb 1.32 0.56 -0.13 0.00 -0.53 0.00 0.00 40.66 41.88 1wwv h LEU 61 CO 0.99 -0.54 -0.33 0.61 -0.13 0.00 0.00 178.44 179.04 1wwv n GLY 62 N -1.48 -1.72 0.17 3.75 0.00 -1.26 0.72 105.19 105.36 1wwv n GLY 62 Ca -0.08 0.93 -0.07 0.00 0.00 0.00 0.00 46.02 46.80 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 0.38 -0.68 1.61 3.86 -1.83 -2.42 115.15 116.09 1wwv h HIS 63 Ca 0.29 0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.63 1wwv h HIS 63 Cb 0.49 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 28.76 1wwv h HIS 63 CO -0.73 0.21 0.25 1.96 0.86 0.00 0.00 177.93 180.48 1wwv h GLN 64 N 0.42 0.40 -0.99 2.45 4.20 0.92 -0.50 115.11 122.01 1wwv h GLN 64 Ca 0.16 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1wwv h GLN 64 Cb 0.04 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 1wwv h GLN 64 CO -0.09 0.27 0.65 0.93 -0.67 0.00 0.00 178.83 179.92 1wwv h GLU 65 N 0.41 1.30 0.01 1.46 4.39 -0.69 0.35 114.58 121.81 1wwv h GLU 65 Ca 0.36 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.99 1wwv h GLU 65 Cb 0.49 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1wwv h GLU 65 CO -0.36 0.86 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.22 1wwv h LEU 66 N 1.34 -0.19 0.36 1.33 3.38 -0.69 -0.28 115.31 120.56 1wwv h LEU 66 Ca 0.36 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1wwv h LEU 66 Cb -0.15 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wwv h LEU 66 CO -0.08 -0.10 -0.17 0.40 0.09 0.00 0.00 178.44 178.58 1wwv h ILE 67 N -0.12 0.00 -1.33 1.22 2.04 -1.12 -3.20 117.51 115.00 1wwv h ILE 67 Ca 0.02 -0.53 0.41 0.00 1.00 0.00 0.00 64.86 65.76 1wwv h ILE 67 Cb 0.15 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.12 1wwv h ILE 67 CO -0.06 0.00 0.89 -0.07 0.00 0.00 0.00 178.15 178.90 1wwv h LEU 68 N -1.02 0.22 -0.17 1.44 3.38 -0.38 0.31 115.31 119.09 1wwv h LEU 68 Ca -0.05 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wwv h LEU 68 Cb 0.37 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wwv h LEU 68 CO 0.08 -0.08 0.09 1.23 0.09 0.00 0.00 178.44 179.85 1wwv h GLY 69 N 0.12 0.26 1.54 0.83 0.00 -1.06 -2.59 103.07 102.18 1wwv h GLY 69 Ca 0.76 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.91 1wwv h GLY 69 CO -0.29 0.12 0.01 -1.33 0.00 0.00 0.00 176.54 175.05 1wwv h GLY 70 N 0.16 0.61 1.92 4.60 0.00 -0.39 -2.42 103.07 107.56 1wwv h GLY 70 Ca 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 1wwv h GLY 70 CO -0.01 0.34 -0.19 -2.08 0.00 0.00 0.00 176.54 174.61 1wwv h VAL 71 N 0.55 1.17 -0.97 4.60 2.07 -1.22 -2.57 116.25 119.88 1wwv h VAL 71 Ca 0.12 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1wwv h VAL 71 Cb 0.34 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1wwv h VAL 71 CO 0.01 0.23 0.61 -0.33 0.02 0.00 0.00 177.57 178.12 1wwv h GLU 72 N 0.10 1.30 0.00 1.57 5.08 -1.04 -1.59 114.58 119.99 1wwv h GLU 72 Ca 0.02 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1wwv h GLU 72 Cb 0.39 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1wwv h GLU 72 CO 0.03 0.88 -0.55 1.96 -1.00 0.00 0.00 179.01 180.33 1wwv h GLN 73 N 1.33 0.00 -0.03 2.33 4.20 -1.52 -3.24 115.11 118.18 1wwv h GLN 73 Ca 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1wwv h GLN 73 Cb -0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1wwv h GLN 73 CO -0.07 0.55 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.55 1wwv h LEU 74 N 0.00 0.08 -1.86 1.46 3.38 -1.12 -2.85 115.31 114.41 1wwv h LEU 74 Ca -0.01 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1wwv h LEU 74 Cb 1.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1wwv h LEU 74 CO 0.07 0.50 0.45 1.56 0.09 0.00 0.00 178.44 181.11 1wwv h GLN 75 N -0.34 0.00 0.01 1.13 4.20 -1.35 0.10 115.11 118.86 1wwv h GLN 75 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1wwv h GLN 75 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wwv h GLN 75 CO 0.01 0.00 -0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1wwv h ALA 76 N 1.31 -0.08 -0.49 3.87 0.00 -1.57 -3.04 119.26 119.27 1wwv h ALA 76 Ca 0.11 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1wwv h ALA 76 Cb 1.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1wwv h ALA 76 CO -0.00 -0.08 0.06 1.37 0.00 0.00 0.00 179.25 180.61 1wwv h LEU 77 N -0.08 -0.08 0.07 0.00 8.10 -1.33 -2.92 115.31 119.08 1wwv h LEU 77 Ca -0.00 0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.09 1wwv h LEU 77 Cb 0.01 0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.36 1wwv h LEU 77 CO 0.00 -0.01 -0.24 -1.28 -4.11 0.00 0.00 178.44 172.80 1wwv h SER 78 N 0.19 -0.71 -4.21 0.17 0.87 -0.98 -3.43 113.55 105.45 1wwv h SER 78 Ca 0.25 0.07 -0.57 0.00 -1.23 0.00 0.00 61.79 60.31 1wwv h SER 78 Cb 0.35 0.26 -0.30 0.00 -0.44 0.00 0.00 62.40 62.27 1wwv h SER 78 CO -0.36 -0.26 -0.84 -0.55 -0.53 0.00 0.00 176.83 174.29 1wwv s SER 79 N -3.41 2.22 -0.07 6.23 0.15 -1.10 -4.64 113.70 113.07 1wwv s SER 79 Ca -0.07 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.26 1wwv s SER 79 Cb 0.03 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1wwv s SER 79 CO 0.27 0.21 -0.18 -0.13 1.20 0.00 0.00 173.24 174.61 1wwv s ARG 80 N -0.28 2.27 -0.19 5.44 1.81 -1.25 -4.14 118.95 122.61 1wwv s ARG 80 Ca 0.03 -0.64 -0.16 0.00 -1.72 0.00 0.00 55.73 53.24 1wwv s ARG 80 Cb -0.09 -1.80 -0.21 0.00 -0.45 0.00 0.00 34.95 32.40 1wwv s ARG 80 CO 0.00 0.14 0.21 1.28 -0.68 0.00 0.00 175.30 176.25 1wwv n LEU 81 N 3.56 2.12 -4.09 2.53 4.32 -1.26 -5.00 117.00 119.17 1wwv n LEU 81 Ca -0.20 0.34 -0.09 0.00 -0.02 0.00 0.00 56.01 56.04 1wwv n LEU 81 Cb 0.52 -1.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.22 1wwv n LEU 81 CO 0.26 0.48 -0.37 0.00 -1.22 0.00 0.00 177.39 176.54 1wwv s GLN 82 N -2.43 0.62 -0.01 3.23 0.00 -1.26 -5.17 119.66 114.64 1wwv s GLN 82 Ca -0.28 -1.11 -0.02 0.00 -0.00 0.00 0.00 55.36 53.95 1wwv s GLN 82 Cb 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 33.01 33.09 1wwv s GLN 82 CO 0.64 -0.06 0.04 0.95 0.00 0.00 0.00 175.29 176.87 1wwv s THR 83 N -3.18 0.04 0.32 3.63 -4.23 -1.26 -5.15 115.64 105.82 1wwv s THR 83 Ca 0.03 -0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 59.91 1wwv s THR 83 Cb 0.02 -0.19 -0.09 0.00 1.34 0.00 0.00 72.50 73.58 1wwv s THR 83 CO -0.06 -0.20 1.04 -0.70 -0.54 0.00 0.00 174.62 174.16 1wwv s GLU 84 N -0.61 4.50 0.08 3.99 -6.30 -1.26 -4.97 118.70 114.13 1wwv s GLU 84 Ca -0.07 1.59 0.00 0.00 -2.50 0.00 0.00 54.97 53.99 1wwv s GLU 84 Cb -0.04 -2.92 0.00 0.00 0.00 0.00 0.00 34.13 31.17 1wwv s GLU 84 CO -0.00 0.14 0.00 -1.71 0.02 0.00 0.00 175.26 173.71 1wwv n ASN 85 N 0.71 0.81 -3.61 -1.70 2.85 -1.26 -5.12 115.26 107.93 1wwv n ASN 85 Ca 0.01 0.11 -0.13 0.00 -0.11 0.00 0.00 54.58 54.46 1wwv n ASN 85 Cb 0.47 -0.24 -0.07 0.00 1.24 0.00 0.00 39.78 41.19 1wwv n ASN 85 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1wwv s SER 86 N -5.72 -0.61 0.00 1.20 0.15 -1.26 -5.18 113.70 102.28 1wwv s SER 86 Ca 0.00 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1wwv s SER 86 Cb 0.00 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1wwv s SER 86 CO 0.00 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1wwv n GLY 87 N 2.11 0.59 3.58 9.45 0.00 -1.26 -5.11 105.19 114.56 1wwv n GLY 87 Ca -0.14 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.55 3.09 0.03 1.61 0.04 -1.26 -4.98 135.00 131.98 1wwv s PRO 88 Ca 0.00 1.03 0.08 0.00 0.04 0.00 0.00 61.00 62.15 1wwv s PRO 88 Cb 0.00 -4.25 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 1wwv s PRO 88 CO 0.00 -2.16 -0.23 -1.12 0.04 0.00 0.00 177.00 173.53 1wwv s SER 89 N 6.54 3.41 -0.45 6.66 0.01 -1.26 -5.10 113.70 123.51 1wwv s SER 89 Ca 0.72 -0.50 -0.06 0.00 1.31 0.00 0.00 55.95 57.42 1wwv s SER 89 Cb -0.17 -0.43 0.12 0.00 0.21 0.00 0.00 66.02 65.74 1wwv s SER 89 CO 0.28 0.27 0.28 -0.55 0.41 0.00 0.00 173.24 173.93 1wwv s SER 90 N -1.19 5.46 0.00 2.44 0.15 -1.26 -5.32 113.70 113.97 1wwv s SER 90 Ca 0.12 -2.02 0.00 0.00 0.70 0.00 0.00 55.95 54.75 1wwv s SER 90 Cb -0.10 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1wwv s SER 90 CO 0.03 -0.60 0.04 0.61 1.20 0.00 0.00 173.24 174.51