#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwv n SER 2 N 0.00 -1.90 -4.66 1.61 7.64 -1.26 -4.91 113.62 110.14 1wwv n SER 2 Ca 0.00 -0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.31 1wwv n SER 2 Cb 0.00 -1.18 -0.02 0.00 -1.01 0.00 0.00 64.21 62.00 1wwv n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wwv s SER 3 N -2.24 7.08 0.00 6.43 0.15 -1.26 -4.79 113.70 119.07 1wwv s SER 3 Ca 0.65 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1wwv s SER 3 Cb -0.22 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1wwv s SER 3 CO 0.65 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wwv n GLY 4 N 3.35 -1.49 3.64 9.45 0.00 -1.26 -5.10 105.19 113.78 1wwv n GLY 4 Ca 0.11 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 1wwv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwv s SER 5 N -1.16 -1.00 0.51 1.61 0.15 -1.26 -5.12 113.70 107.43 1wwv s SER 5 Ca 0.00 1.53 -0.01 0.00 0.70 0.00 0.00 55.95 58.18 1wwv s SER 5 Cb 0.00 1.61 0.01 0.00 -1.71 0.00 0.00 66.02 65.93 1wwv s SER 5 CO 0.00 -0.24 0.75 -0.44 1.20 0.00 0.00 173.24 174.51 1wwv s SER 6 N 1.94 5.58 0.00 5.45 0.01 -1.26 -5.03 113.70 120.40 1wwv s SER 6 Ca -0.09 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1wwv s SER 6 Cb -0.07 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1wwv s SER 6 CO -0.20 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.14 1wwv n GLY 7 N -2.27 2.04 2.89 3.44 0.00 -1.26 -4.94 105.19 105.10 1wwv n GLY 7 Ca 0.04 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.13 2.23 0.75 1.61 -2.45 -1.26 -5.10 119.30 112.95 1wwv s MET 8 Ca 0.00 -3.05 -0.15 0.00 -1.25 0.00 0.00 55.69 51.24 1wwv s MET 8 Cb 0.00 -3.29 0.05 0.00 1.25 0.00 0.00 34.83 32.84 1wwv s MET 8 CO 0.00 -1.23 1.23 -1.83 1.05 0.00 0.00 175.02 174.24 1wwv s GLU 9 N -1.01 1.98 0.56 4.11 -1.05 -1.26 -4.97 118.70 117.07 1wwv s GLU 9 Ca 0.23 1.84 -0.19 0.00 -0.15 0.00 0.00 54.97 56.70 1wwv s GLU 9 Cb -0.11 -1.81 -0.05 0.00 -0.44 0.00 0.00 34.13 31.72 1wwv s GLU 9 CO -0.11 -1.97 1.12 -1.25 0.95 0.00 0.00 175.26 174.00 1wwv s PRO 10 N -3.89 3.25 0.39 -4.83 0.04 -1.26 -4.95 135.00 123.76 1wwv s PRO 10 Ca 0.76 1.57 0.18 0.00 0.04 0.00 0.00 61.00 63.55 1wwv s PRO 10 Cb -0.31 -2.00 0.80 0.00 0.04 0.00 0.00 34.50 33.03 1wwv s PRO 10 CO 0.46 -0.92 1.80 0.28 0.04 0.00 0.00 177.00 178.67 1wwv h VAL 11 N 0.98 0.95 0.00 -0.36 2.07 -1.90 -2.56 116.25 115.42 1wwv h VAL 11 Ca -0.49 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1wwv h VAL 11 Cb 1.26 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1wwv h VAL 11 CO 0.56 0.34 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 -1.92 -2.03 114.58 116.31 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 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1wwv h GLU 12 CO 0.05 0.00 -1.77 0.25 0.07 0.00 0.00 179.01 177.61 1wwv n THR 13 N -3.06 0.00 -1.10 -1.06 -2.24 -0.99 -2.12 114.28 103.71 1wwv n THR 13 Ca -0.01 -0.39 -0.35 0.00 -2.27 0.00 0.00 64.05 61.02 1wwv n THR 13 Cb 0.18 0.20 0.08 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.09 -1.29 -2.96 4.78 7.02 -0.76 -4.84 117.44 117.30 1wwv n TRP 14 Ca -0.02 0.30 -0.27 0.00 -1.02 0.00 0.00 57.50 56.48 1wwv n TRP 14 Cb 0.50 -1.84 -0.01 0.00 -2.42 0.00 0.00 31.31 27.53 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 -2.07 4.96 -2.00 -0.99 -4.23 -1.26 -2.13 115.64 107.92 1wwv s THR 15 Ca 0.61 0.08 0.11 0.00 -1.18 0.00 0.00 61.69 61.31 1wwv s THR 15 Cb -0.30 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.02 1wwv s THR 15 CO 0.62 -0.64 1.08 -0.81 -0.54 0.00 0.00 174.62 174.33 1wwv n PRO 16 N -1.78 0.49 -0.00 3.99 -0.04 -1.26 -2.14 135.00 134.25 1wwv n PRO 16 Ca -0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1wwv n PRO 16 Cb 0.55 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.65 0.13 0.55 0.00 -1.26 -4.16 105.19 99.77 1wwv n GLY 17 Ca 0.08 -0.43 -0.18 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 -1.71 0.71 -0.39 1.61 5.02 -0.91 -4.22 118.16 118.26 1wwv n LYS 18 Ca 0.00 0.21 0.33 0.00 -2.02 0.00 0.00 58.31 56.83 1wwv n LYS 18 Cb 0.34 -1.65 0.63 0.00 -0.02 0.00 0.00 35.03 34.33 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 0.32 -0.66 -0.18 2.07 -1.78 0.75 116.25 116.81 1wwv h VAL 19 Ca -0.46 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1wwv h VAL 19 Cb 2.01 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1wwv h VAL 19 CO 0.03 0.03 0.44 0.00 0.02 0.00 0.00 177.57 178.09 1wwv h ALA 20 N 1.52 1.62 -0.02 1.67 0.00 -1.82 0.11 119.26 122.35 1wwv h ALA 20 Ca 0.69 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.39 1wwv h ALA 20 Cb 2.21 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1wwv h ALA 20 CO -0.26 0.31 -0.80 1.15 0.00 0.00 0.00 179.25 179.65 1wwv h THR 21 N 0.80 1.47 0.00 0.00 2.02 0.28 -1.40 112.91 116.08 1wwv h THR 21 Ca 0.26 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1wwv h THR 21 Cb 0.05 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1wwv h THR 21 CO -0.07 0.72 -0.03 -0.25 0.37 0.00 0.00 175.52 176.26 1wwv h TRP 22 N 0.11 0.00 0.08 3.16 7.01 -1.02 -3.09 115.95 122.20 1wwv h TRP 22 Ca -0.03 0.00 -0.35 0.00 2.11 0.00 0.00 58.89 60.62 1wwv h TRP 22 Cb 1.39 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.42 1wwv h TRP 22 CO 0.02 0.00 -1.96 1.28 -2.79 0.00 0.00 178.44 174.99 1wwv n LEU 23 N -2.76 2.07 0.25 0.65 4.77 0.30 -3.35 117.00 118.92 1wwv n LEU 23 Ca 0.05 0.24 0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1wwv n LEU 23 Cb 0.49 -0.68 0.61 0.00 -2.33 0.00 0.00 43.42 41.51 1wwv n LEU 23 CO 0.33 0.72 0.92 0.08 -1.33 0.00 0.00 177.39 178.10 1wwv h ARG 24 N 0.04 0.00 0.00 3.23 -0.00 -1.32 -2.94 114.38 113.39 1wwv h ARG 24 Ca -0.40 0.00 -0.23 0.00 -0.00 0.00 0.00 59.98 59.35 1wwv h ARG 24 Cb 2.03 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.96 1wwv h ARG 24 CO 0.07 0.11 -1.46 0.78 -0.00 0.00 0.00 179.97 179.48 1wwv h GLY 25 N 1.86 0.00 -0.28 0.08 0.00 -1.68 -3.37 103.07 99.69 1wwv h GLY 25 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1wwv h GLY 25 CO 0.01 0.00 -0.16 1.41 0.00 0.00 0.00 176.54 177.80 1wwv h LEU 26 N 0.00 -0.60 -7.21 3.11 3.38 -1.52 -3.45 115.31 109.03 1wwv h LEU 26 Ca -0.20 0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.16 1wwv h LEU 26 Cb 1.79 0.40 -0.14 0.00 0.09 0.00 0.00 40.66 42.80 1wwv h LEU 26 CO 0.07 -0.21 0.61 -1.81 0.09 0.00 0.00 178.44 177.19 1wwv s ASP 27 N -5.23 -0.22 0.22 -0.43 1.01 -1.26 -5.03 116.67 105.73 1wwv s ASP 27 Ca -0.14 -0.13 0.13 0.00 0.71 0.00 0.00 52.55 53.12 1wwv s ASP 27 Cb 0.19 0.33 -0.03 0.00 1.01 0.00 0.00 42.92 44.43 1wwv s ASP 27 CO 0.74 -0.57 1.37 0.44 0.21 0.00 0.00 175.17 177.37 1wwv h ASP 28 N 2.00 0.00 0.30 0.27 5.19 -1.88 -2.95 116.42 119.35 1wwv h ASP 28 Ca -0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 1wwv h ASP 28 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1wwv h ASP 28 CO 0.27 0.66 0.00 0.28 -3.12 0.00 0.00 179.24 177.33 1wwv h SER 29 N 0.00 0.00 0.00 6.45 0.02 -1.96 -2.05 113.55 116.01 1wwv h SER 29 Ca -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1wwv h SER 29 Cb 1.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1wwv h SER 29 CO 0.08 0.00 -1.68 0.18 -1.14 0.00 0.00 176.83 174.28 1wwv n LEU 30 N -2.66 0.00 0.21 5.07 4.77 -1.21 -4.44 117.00 118.75 1wwv n LEU 30 Ca -0.01 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.14 1wwv n LEU 30 Cb 0.13 0.04 0.70 0.00 -2.33 0.00 0.00 43.42 41.96 1wwv n LEU 30 CO 0.18 0.04 1.14 1.56 -1.33 0.00 0.00 177.39 178.98 1wwv h GLN 31 N 0.00 0.00 0.04 3.23 1.08 -1.19 -0.14 115.11 118.13 1wwv h GLN 31 Ca -0.05 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1wwv h GLN 31 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1wwv h GLN 31 CO 0.00 0.00 -0.02 -0.44 -0.95 0.00 0.00 178.83 177.42 1wwv h ASP 32 N 0.00 -0.05 -2.21 1.46 3.32 -1.78 -3.44 116.42 113.72 1wwv h ASP 32 Ca 0.10 -0.34 -0.61 0.00 0.02 0.00 0.00 57.03 56.19 1wwv h ASP 32 Cb 1.07 0.01 0.07 0.00 0.22 0.00 0.00 39.33 40.70 1wwv h ASP 32 CO -0.00 0.32 0.61 -1.22 -1.72 0.00 0.00 179.24 177.23 1wwv n TYR 33 N -4.94 1.96 -2.06 4.55 4.01 -0.07 -4.82 117.16 115.80 1wwv n TYR 33 Ca -0.08 0.44 -0.27 0.00 -0.16 0.00 0.00 57.90 57.83 1wwv n TYR 33 Cb 0.21 -2.44 -0.05 0.00 -0.31 0.00 0.00 39.34 36.74 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 0.31 2.53 0.28 -0.72 0.04 -1.26 -4.76 135.00 131.43 1wwv s PRO 34 Ca 0.76 -0.63 0.05 0.00 0.04 0.00 0.00 61.00 61.22 1wwv s PRO 34 Cb -0.75 -5.13 0.42 0.00 0.04 0.00 0.00 34.50 29.08 1wwv s PRO 34 CO 0.45 -3.61 1.70 0.74 0.04 0.00 0.00 177.00 176.31 1wwv h PHE 35 N 10.68 0.39 0.00 0.56 0.04 -1.90 -2.41 116.94 124.30 1wwv h PHE 35 Ca 0.14 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1wwv h PHE 35 Cb 0.98 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.04 1wwv h PHE 35 CO 1.22 0.66 0.00 0.93 -0.60 0.00 0.00 178.31 180.52 1wwv h GLU 36 N 0.29 0.00 0.01 1.51 5.08 -1.93 -2.26 114.58 117.28 1wwv h GLU 36 Ca 0.03 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.08 1wwv h GLU 36 Cb 0.78 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1wwv h GLU 36 CO 0.06 0.00 -1.84 -0.25 -1.00 0.00 0.00 179.01 175.98 1wwv n ASP 37 N -2.94 0.87 -0.36 1.42 9.92 -0.93 -4.17 116.55 120.36 1wwv n ASP 37 Ca -0.01 0.33 0.08 0.00 -0.53 0.00 0.00 54.79 54.66 1wwv n ASP 37 Cb 0.17 0.02 0.25 0.00 -0.64 0.00 0.00 41.12 40.92 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 0.01 1.14 -6.77 1.24 4.06 -1.10 -3.45 115.95 111.07 1wwv h TRP 38 Ca -0.34 0.03 -0.55 0.00 2.06 0.00 0.00 58.89 60.09 1wwv h TRP 38 Cb 2.05 -0.36 -0.19 0.00 -1.00 0.00 0.00 29.16 29.66 1wwv h TRP 38 CO 0.01 0.44 -0.87 1.04 -3.56 0.00 0.00 178.44 175.50 1wwv n GLN 39 N -4.62 -2.71 -3.43 0.49 1.13 -1.22 -4.91 117.38 102.12 1wwv n GLN 39 Ca 0.19 0.33 -0.38 0.00 -1.94 0.00 0.00 57.00 55.19 1wwv n GLN 39 Cb 0.37 -4.77 -0.08 0.00 0.11 0.00 0.00 30.24 25.86 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 -7.21 4.10 0.68 1.08 2.96 -1.26 -4.89 118.68 114.15 1wwv s LEU 40 Ca 0.50 0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 54.64 1wwv s LEU 40 Cb -0.28 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.00 1wwv s LEU 40 CO 0.94 -0.10 1.11 -2.16 -1.32 0.00 0.00 176.35 174.81 1wwv s PRO 41 N 1.58 2.68 0.23 0.98 0.04 -1.26 -4.13 135.00 135.11 1wwv s PRO 41 Ca 0.16 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 1wwv s PRO 41 Cb -0.15 -1.94 0.32 0.00 0.04 0.00 0.00 34.50 32.77 1wwv s PRO 41 CO 0.08 -1.34 1.81 0.78 0.04 0.00 0.00 177.00 178.37 1wwv h GLY 42 N -0.23 1.12 -0.46 0.56 0.00 -1.59 -1.13 103.07 101.34 1wwv h GLY 42 Ca -0.46 -0.28 0.28 0.00 0.00 0.00 0.00 47.33 46.87 1wwv h GLY 42 CO 0.53 0.13 0.43 0.07 0.00 0.00 0.00 176.54 177.71 1wwv h LYS 43 N 0.72 0.29 0.11 4.80 2.10 -1.53 0.23 116.57 123.30 1wwv h LYS 43 Ca 0.35 -0.02 -0.29 0.00 -2.00 0.00 0.00 60.65 58.69 1wwv h LYS 43 Cb 0.28 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1wwv h LYS 43 CO -0.22 0.19 -1.38 -0.91 -2.00 0.00 0.00 179.45 175.13 1wwv h ASN 44 N 0.30 0.38 -0.86 7.07 2.35 -1.66 -3.24 115.58 119.91 1wwv h ASN 44 Ca 0.65 -0.46 0.22 0.00 -0.55 0.00 0.00 56.30 56.16 1wwv h ASN 44 Cb 1.40 -0.12 -0.13 0.00 0.05 0.00 0.00 38.32 39.52 1wwv h ASN 44 CO -0.62 1.37 0.27 0.25 -1.65 0.00 0.00 177.43 177.05 1wwv h LEU 45 N 0.07 0.08 -0.18 1.61 5.85 0.64 0.75 115.31 124.12 1wwv h LEU 45 Ca -0.18 0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1wwv h LEU 45 Cb 1.99 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 43.23 1wwv h LEU 45 CO 0.18 -0.11 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.67 1wwv h LEU 46 N 0.26 0.00 -3.42 2.25 3.38 -1.55 -3.14 115.31 113.09 1wwv h LEU 46 Ca 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.45 1wwv h LEU 46 Cb 1.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1wwv h LEU 46 CO -0.61 0.43 0.07 0.00 0.09 0.00 0.00 178.44 178.42 1wwv n GLN 47 N -3.26 4.35 -1.35 1.13 6.02 0.22 -4.97 117.38 119.53 1wwv n GLN 47 Ca 0.02 -2.90 -0.30 0.00 -0.01 0.00 0.00 57.00 53.80 1wwv n GLN 47 Cb 0.67 -2.20 0.23 0.00 1.02 0.00 0.00 30.24 29.97 1wwv n GLN 47 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wwv s LEU 48 N -2.61 1.27 -0.05 1.08 1.43 0.12 -4.97 118.68 114.94 1wwv s LEU 48 Ca 0.51 0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.73 1wwv s LEU 48 Cb 0.39 -2.19 0.11 0.00 0.03 0.00 0.00 46.19 44.54 1wwv s LEU 48 CO 0.14 -3.82 0.95 0.00 0.23 0.00 0.00 176.35 173.85 1wwv n PRO 50 N -0.10 0.01 -0.01 0.00 -0.04 -1.26 -1.76 135.00 131.83 1wwv n PRO 50 Ca -0.07 0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1wwv n PRO 50 Cb 0.61 -1.53 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 1wwv n PRO 50 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wwv h GLN 51 N 0.00 0.02 0.06 0.54 1.08 -1.95 -3.37 115.11 111.50 1wwv h GLN 51 Ca 0.00 -0.04 -0.22 0.00 -1.45 0.00 0.00 58.65 56.94 1wwv h GLN 51 Cb 0.25 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1wwv h GLN 51 CO 0.00 0.59 -1.18 1.03 -0.95 0.00 0.00 178.83 178.32 1wwv h SER 52 N 0.01 0.20 -1.27 1.46 0.87 -1.88 -3.35 113.55 109.59 1wwv h SER 52 Ca -0.27 -0.77 0.39 0.00 -1.23 0.00 0.00 61.79 59.91 1wwv h SER 52 Cb 2.00 -0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 63.78 1wwv h SER 52 CO 0.08 1.50 0.83 -0.07 -0.53 0.00 0.00 176.83 178.64 1wwv h LEU 53 N -0.61 0.27 -0.94 2.23 3.38 -1.54 0.59 115.31 118.68 1wwv h LEU 53 Ca -0.28 0.11 0.15 0.00 0.09 0.00 0.00 57.88 57.95 1wwv h LEU 53 Cb 1.51 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.25 1wwv h LEU 53 CO -0.03 -0.09 0.55 -0.33 0.09 0.00 0.00 178.44 178.62 1wwv h GLU 54 N 0.15 0.77 -0.68 1.13 5.08 -1.56 0.11 114.58 119.58 1wwv h GLU 54 Ca 0.75 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 59.20 1wwv h GLU 54 Cb 2.33 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 31.37 1wwv h GLU 54 CO -0.34 0.51 0.46 0.00 -1.00 0.00 0.00 179.01 178.63 1wwv h ALA 55 N 1.57 2.13 -0.33 3.43 0.00 -0.02 0.14 119.26 126.18 1wwv h ALA 55 Ca 0.50 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 1wwv h ALA 55 Cb 0.65 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1wwv h ALA 55 CO -0.33 -0.31 0.18 1.28 0.00 0.00 0.00 179.25 180.07 1wwv n LEU 56 N -4.46 3.93 -1.51 0.00 4.77 0.33 -4.80 117.00 115.27 1wwv n LEU 56 Ca 0.12 -2.03 -0.14 0.00 -0.03 0.00 0.00 56.01 53.93 1wwv n LEU 56 Cb 0.49 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1wwv n LEU 56 CO 0.34 0.62 -0.17 0.00 -1.33 0.00 0.00 177.39 176.84 1wwv n ALA 57 N -0.01 -0.38 -3.84 -1.18 0.00 0.47 -4.97 120.51 110.60 1wwv n ALA 57 Ca 0.19 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1wwv n ALA 57 Cb 0.84 -1.63 -0.11 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 -2.67 3.18 -0.22 0.00 1.01 -0.90 -4.86 120.40 115.94 1wwv s VAL 58 Ca 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 61.98 58.19 1wwv s VAL 58 Cb 0.00 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 33.17 1wwv s VAL 58 CO 0.00 -0.94 -0.24 0.54 0.00 0.00 0.00 175.10 174.46 1wwv n ARG 59 N 2.58 0.52 -1.74 2.72 1.74 -1.26 -2.12 116.66 119.10 1wwv n ARG 59 Ca 0.14 0.16 -0.67 0.00 -0.77 0.00 0.00 57.85 56.71 1wwv n ARG 59 Cb 0.35 -1.38 -0.10 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 -3.53 1.24 0.21 0.55 2.88 -1.26 -4.84 113.62 108.88 1wwv n SER 60 Ca -0.41 1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 58.16 1wwv n SER 60 Cb 0.87 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 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 5.07 -0.65 -0.93 2.46 7.12 -1.99 -2.11 115.31 124.28 1wwv h LEU 61 Ca -0.44 0.05 0.27 0.00 0.13 0.00 0.00 57.88 57.88 1wwv h LEU 61 Cb 1.37 0.21 -0.16 0.00 -0.53 0.00 0.00 40.66 41.55 1wwv h LEU 61 CO 0.97 -0.39 0.22 1.23 -0.13 0.00 0.00 178.44 180.34 1wwv h GLY 62 N -0.59 1.46 0.96 3.75 0.00 -2.00 0.39 103.07 107.04 1wwv h GLY 62 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1wwv h GLY 62 CO 0.00 -0.47 -0.05 0.45 0.00 0.00 0.00 176.54 176.48 1wwv h HIS 63 N 0.13 0.81 -0.87 5.60 3.86 -1.84 -2.80 115.15 120.04 1wwv h HIS 63 Ca 0.61 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.64 1wwv h HIS 63 Cb 1.30 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 1wwv h HIS 63 CO -0.29 0.84 0.46 1.96 0.86 0.00 0.00 177.93 181.76 1wwv h GLN 64 N 0.55 1.22 -0.72 2.45 4.20 0.31 -2.39 115.11 120.73 1wwv h GLN 64 Ca 0.11 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1wwv h GLN 64 Cb 0.55 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1wwv h GLN 64 CO 0.03 0.90 0.39 1.49 -0.67 0.00 0.00 178.83 180.97 1wwv h GLU 65 N 1.22 0.99 0.07 1.46 4.57 -0.64 0.31 114.58 122.57 1wwv h GLU 65 Ca 0.30 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1wwv h GLU 65 Cb 0.05 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1wwv h GLU 65 CO -0.05 0.73 -0.16 -0.07 -1.18 0.00 0.00 179.01 178.28 1wwv h LEU 66 N 1.00 -0.46 0.20 1.64 3.38 -1.16 -0.74 115.31 119.17 1wwv h LEU 66 Ca 0.25 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1wwv h LEU 66 Cb 0.03 0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1wwv h LEU 66 CO -0.04 -0.24 -0.10 0.40 0.09 0.00 0.00 178.44 178.56 1wwv h ILE 67 N -0.31 0.00 -0.96 1.22 2.04 -1.42 -3.25 117.51 114.82 1wwv h ILE 67 Ca 0.03 -0.67 0.33 0.00 1.00 0.00 0.00 64.86 65.55 1wwv h ILE 67 Cb 0.34 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.24 1wwv h ILE 67 CO -0.11 0.00 0.25 0.18 0.00 0.00 0.00 178.15 178.47 1wwv n LEU 68 N -4.57 0.09 0.12 1.44 4.77 0.11 0.04 117.00 118.99 1wwv n LEU 68 Ca -0.03 1.62 -0.13 0.00 -0.03 0.00 0.00 56.01 57.44 1wwv n LEU 68 Cb 0.11 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 1wwv n LEU 68 CO 0.08 -1.72 0.71 1.23 -1.33 0.00 0.00 177.39 176.36 1wwv h GLY 69 N 0.00 -0.44 0.88 -0.72 0.00 -1.22 -1.94 103.07 99.63 1wwv h GLY 69 Ca 0.69 0.27 0.03 0.00 0.00 0.00 0.00 47.33 48.32 1wwv h GLY 69 CO -0.83 -0.21 0.53 -1.33 0.00 0.00 0.00 176.54 174.71 1wwv h GLY 70 N -0.44 1.21 0.58 4.60 0.00 -0.43 -2.91 103.07 105.68 1wwv h GLY 70 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1wwv h GLY 70 CO -0.12 0.35 -0.26 -2.08 0.00 0.00 0.00 176.54 174.43 1wwv h VAL 71 N 1.04 0.43 -1.10 4.60 2.07 -0.99 -1.73 116.25 120.56 1wwv h VAL 71 Ca 0.33 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.23 1wwv h VAL 71 Cb 0.00 0.43 -0.15 0.00 -1.52 0.00 0.00 31.29 30.05 1wwv h VAL 71 CO -0.11 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.80 1wwv h GLU 72 N -0.49 0.16 -0.17 1.57 5.08 -1.15 0.92 114.58 120.50 1wwv h GLU 72 Ca 0.02 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 1wwv h GLU 72 Cb 0.50 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.72 1wwv h GLU 72 CO -0.13 0.11 -0.73 1.96 -1.00 0.00 0.00 179.01 179.22 1wwv h GLN 73 N 0.17 0.75 0.44 2.33 4.20 -1.33 -3.31 115.11 118.36 1wwv h GLN 73 Ca 0.79 -0.59 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1wwv h GLN 73 Cb 2.09 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.99 1wwv h GLN 73 CO -0.58 1.20 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.50 1wwv h LEU 74 N 0.52 -0.50 -1.80 1.46 3.38 0.15 -2.56 115.31 115.96 1wwv h LEU 74 Ca -0.04 -0.04 0.55 0.00 0.09 0.00 0.00 57.88 58.44 1wwv h LEU 74 Cb 1.35 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 42.13 1wwv h LEU 74 CO 0.15 -0.28 1.26 0.00 0.09 0.00 0.00 178.44 179.66 1wwv n GLN 75 N -5.30 -0.01 0.00 1.13 6.02 -0.17 0.18 117.38 119.22 1wwv n GLN 75 Ca -0.11 1.14 0.00 0.00 -0.01 0.00 0.00 57.00 58.02 1wwv n GLN 75 Cb 0.27 -2.50 0.00 0.00 1.02 0.00 0.00 30.24 29.04 1wwv n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwv n ALA 76 N -2.80 -0.12 0.06 -1.58 0.00 -0.98 -1.54 120.51 113.56 1wwv n ALA 76 Ca 0.43 0.00 0.21 0.00 0.00 0.00 0.00 53.44 54.08 1wwv n ALA 76 Cb 1.88 0.00 0.68 0.00 0.00 0.00 0.00 19.45 22.02 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 0.03 0.00 8.10 -1.08 0.30 115.31 122.66 1wwv h LEU 77 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 1wwv h LEU 77 Cb 0.00 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.23 1wwv h LEU 77 CO 0.00 0.00 -0.22 -1.28 -4.11 0.00 0.00 178.44 172.83 1wwv h SER 78 N 0.00 0.15 0.01 0.17 0.87 -0.35 -3.41 113.55 110.99 1wwv h SER 78 Ca 0.23 -0.92 -0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1wwv h SER 78 Cb 1.41 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1wwv h SER 78 CO -0.00 1.05 -0.01 -1.28 -0.53 0.00 0.00 176.83 176.07 1wwv h SER 79 N -0.74 -0.01 -3.17 6.23 0.87 0.13 -3.45 113.55 113.41 1wwv h SER 79 Ca -0.04 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.14 1wwv h SER 79 Cb 1.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1wwv h SER 79 CO 0.04 0.03 -0.49 0.54 -0.53 0.00 0.00 176.83 176.42 1wwv n ARG 80 N -2.24 -1.80 -1.88 2.24 1.74 0.82 -4.97 116.66 110.58 1wwv n ARG 80 Ca -0.00 0.93 -0.29 0.00 -0.77 0.00 0.00 57.85 57.72 1wwv n ARG 80 Cb 0.01 -5.59 0.11 0.00 -1.02 0.00 0.00 32.46 25.96 1wwv n ARG 80 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wwv s LEU 81 N -5.96 2.49 -1.43 0.55 2.01 -1.26 -4.02 118.68 111.06 1wwv s LEU 81 Ca 0.00 0.72 -0.14 0.00 0.01 0.00 0.00 54.13 54.73 1wwv s LEU 81 Cb -0.00 -3.14 0.11 0.00 0.01 0.00 0.00 46.19 43.17 1wwv s LEU 81 CO 0.00 -2.07 0.61 0.00 1.01 0.00 0.00 176.35 175.90 1wwv n GLN 82 N -3.42 -3.24 -1.56 1.70 1.13 -1.26 -4.77 117.38 105.96 1wwv n GLN 82 Ca 0.09 0.40 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 1wwv n GLN 82 Cb 0.61 -5.11 -0.04 0.00 0.11 0.00 0.00 30.24 25.81 1wwv n GLN 82 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1wwv n THR 83 N -4.08 0.13 -2.99 5.09 -1.04 -1.26 -4.90 114.28 105.23 1wwv n THR 83 Ca 0.03 -0.58 -0.44 0.00 -2.04 0.00 0.00 64.05 61.02 1wwv n THR 83 Cb 0.51 -2.53 -0.04 0.00 -1.82 0.00 0.00 70.33 66.45 1wwv n THR 83 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1wwv s GLU 84 N 7.30 3.08 -0.12 -2.82 2.12 -1.26 -4.89 118.70 122.10 1wwv s GLU 84 Ca 1.02 -1.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.19 1wwv s GLU 84 Cb -0.34 -4.26 -0.03 0.00 0.26 0.00 0.00 34.13 29.77 1wwv s GLU 84 CO 0.33 -1.68 -0.04 -0.91 -0.54 0.00 0.00 175.26 172.42 1wwv h ASN 85 N 9.36 0.00 0.42 -1.70 4.21 -2.03 -3.42 115.58 122.43 1wwv h ASN 85 Ca -0.29 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.15 1wwv h ASN 85 Cb 1.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1wwv h ASN 85 CO 1.14 0.66 -0.20 0.77 -1.29 0.00 0.00 177.43 178.50 1wwv h SER 86 N -1.00 -0.48 -3.32 5.81 4.64 -2.03 -3.51 113.55 113.66 1wwv h SER 86 Ca -0.01 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1wwv h SER 86 Cb 0.29 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1wwv h SER 86 CO -0.01 -0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 1wwv n GLY 87 N 0.12 0.56 0.00 -0.77 0.00 -1.26 -4.68 105.19 99.15 1wwv n GLY 87 Ca -0.07 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.47 1wwv n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwv n PRO 88 N 0.95 0.49 -0.31 1.61 -0.04 -1.26 -4.03 135.00 132.40 1wwv n PRO 88 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1wwv n PRO 88 Cb 0.00 -1.36 0.09 0.00 -0.04 0.00 0.00 33.50 32.19 1wwv n PRO 88 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wwv n SER 89 N -0.86 -0.39 -4.60 3.54 7.64 -1.26 -3.83 113.62 113.85 1wwv n SER 89 Ca 0.08 1.47 -0.43 0.00 1.01 0.00 0.00 58.87 61.01 1wwv n SER 89 Cb 0.04 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.81 1wwv n SER 89 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wwv s SER 90 N -5.25 6.39 0.00 6.43 0.01 -1.26 -5.31 113.70 114.71 1wwv s SER 90 Ca -0.12 0.82 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1wwv s SER 90 Cb 0.21 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1wwv s SER 90 CO 0.65 -1.39 0.00 0.61 0.41 0.00 0.00 173.24 173.51