#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 -0.28 -0.43 1.61 0.15 -1.26 -5.13 113.70 108.37 1wwv s SER 2 Ca 0.00 0.45 -0.06 0.00 0.70 0.00 0.00 55.95 57.03 1wwv s SER 2 Cb 0.00 1.11 0.10 0.00 -1.71 0.00 0.00 66.02 65.52 1wwv s SER 2 CO 0.00 -0.07 0.26 -0.44 1.20 0.00 0.00 173.24 174.19 1wwv s SER 3 N 1.17 5.48 -0.48 5.45 0.01 -1.26 -5.04 113.70 119.03 1wwv s SER 3 Ca -0.08 -1.84 -0.27 0.00 1.31 0.00 0.00 55.95 55.06 1wwv s SER 3 Cb -0.03 -1.92 -0.08 0.00 0.21 0.00 0.00 66.02 64.20 1wwv s SER 3 CO -0.12 -0.58 2.40 0.61 0.41 0.00 0.00 173.24 175.96 1wwv n GLY 4 N 4.77 0.27 3.77 3.44 0.00 -1.26 -4.91 105.19 111.27 1wwv n GLY 4 Ca -0.06 0.73 -0.38 0.00 0.00 0.00 0.00 46.02 46.30 1wwv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwv s SER 5 N 11.10 6.15 0.24 1.61 1.04 -1.26 -4.92 113.70 127.66 1wwv s SER 5 Ca 1.03 2.53 -0.06 0.00 0.48 0.00 0.00 55.95 59.93 1wwv s SER 5 Cb -0.33 -2.62 0.29 0.00 0.10 0.00 0.00 66.02 63.46 1wwv s SER 5 CO 0.31 -0.95 1.89 0.77 0.98 0.00 0.00 173.24 176.24 1wwv h SER 6 N 2.33 0.98 -4.10 7.02 4.64 -2.08 -3.42 113.55 118.92 1wwv h SER 6 Ca -0.50 -0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 60.37 1wwv h SER 6 Cb 1.25 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1wwv h SER 6 CO 0.61 0.67 0.35 -0.83 -0.87 0.00 0.00 176.83 176.76 1wwv s GLY 7 N -3.13 2.30 -0.26 -0.77 0.00 -1.26 -5.05 107.32 99.14 1wwv s GLY 7 Ca -0.13 0.35 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 1wwv s GLY 7 CO 0.80 0.63 -0.02 -0.29 0.00 0.00 0.00 173.10 174.22 1wwv s MET 8 N -3.44 2.96 0.60 2.90 -2.45 -1.26 -5.10 119.30 113.50 1wwv s MET 8 Ca 0.61 -0.91 -0.17 0.00 -1.25 0.00 0.00 55.69 53.97 1wwv s MET 8 Cb -0.10 -3.11 -0.03 0.00 1.25 0.00 0.00 34.83 32.85 1wwv s MET 8 CO 0.19 -0.40 1.12 -1.21 1.05 0.00 0.00 175.02 175.77 1wwv s GLU 9 N 1.39 3.09 0.31 4.11 0.41 -1.26 -4.99 118.70 121.76 1wwv s GLU 9 Ca 0.01 1.51 -0.29 0.00 -0.41 0.00 0.00 54.97 55.80 1wwv s GLU 9 Cb -0.17 -1.98 -0.10 0.00 -1.78 0.00 0.00 34.13 30.11 1wwv s GLU 9 CO -0.02 -1.04 1.23 -1.25 -0.49 0.00 0.00 175.26 173.68 1wwv s PRO 10 N -3.66 4.46 0.41 0.39 0.04 -1.26 -4.88 135.00 130.50 1wwv s PRO 10 Ca 0.70 2.06 0.17 0.00 0.04 0.00 0.00 61.00 63.97 1wwv s PRO 10 Cb -0.22 -3.12 1.06 0.00 0.04 0.00 0.00 34.50 32.26 1wwv s PRO 10 CO 0.34 -0.04 1.85 0.28 0.04 0.00 0.00 177.00 179.48 1wwv h VAL 11 N 3.07 0.69 -0.06 -0.36 2.07 -1.92 0.33 116.25 120.07 1wwv h VAL 11 Ca -0.48 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1wwv h VAL 11 Cb 1.22 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1wwv h VAL 11 CO 0.66 0.08 0.22 1.05 0.02 0.00 0.00 177.57 179.60 1wwv h GLU 12 N 0.43 0.00 0.00 1.57 4.11 -1.90 0.19 114.58 118.98 1wwv h GLU 12 Ca 0.47 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.77 1wwv h GLU 12 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1wwv h GLU 12 CO -0.18 0.00 -2.02 0.25 0.07 0.00 0.00 179.01 177.12 1wwv n THR 13 N -3.17 0.49 -0.90 -1.06 -2.24 0.11 -1.86 114.28 105.65 1wwv n THR 13 Ca -0.01 -0.57 -0.35 0.00 -2.27 0.00 0.00 64.05 60.86 1wwv n THR 13 Cb 0.30 -0.17 0.08 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.37 -3.28 -3.38 4.78 7.02 0.05 -4.82 117.44 115.44 1wwv n TRP 14 Ca -0.14 0.12 -0.24 0.00 -1.02 0.00 0.00 57.50 56.22 1wwv n TRP 14 Cb 0.74 -1.59 -0.01 0.00 -2.42 0.00 0.00 31.31 28.03 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 -2.18 5.10 -2.00 -0.99 -4.23 -1.26 -2.72 115.64 107.36 1wwv s THR 15 Ca 0.48 -0.44 0.10 0.00 -1.18 0.00 0.00 61.69 60.65 1wwv s THR 15 Cb -0.18 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.10 1wwv s THR 15 CO 0.75 -0.55 1.06 -0.81 -0.54 0.00 0.00 174.62 174.53 1wwv n PRO 16 N -1.74 0.49 -0.02 3.99 -0.04 -1.26 -2.28 135.00 134.14 1wwv n PRO 16 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1wwv n PRO 16 Cb 0.56 -1.33 -0.14 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 -0.80 0.11 0.55 0.00 -1.26 -4.11 105.19 99.65 1wwv n GLY 17 Ca 0.08 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1wwv n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wwv h LYS 18 N 0.00 0.15 -1.00 1.61 1.57 -1.83 -3.36 116.57 113.70 1wwv h LYS 18 Ca -0.06 -0.25 0.27 0.00 -1.87 0.00 0.00 60.65 58.73 1wwv h LYS 18 Cb 0.98 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 1wwv h LYS 18 CO 0.00 0.89 0.59 0.28 -0.57 0.00 0.00 179.45 180.65 1wwv h VAL 19 N 0.04 0.46 -0.38 0.50 2.07 -1.77 0.68 116.25 117.85 1wwv h VAL 19 Ca -0.32 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.12 1wwv h VAL 19 Cb 2.02 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1wwv h VAL 19 CO 0.10 0.09 0.27 0.00 0.02 0.00 0.00 177.57 178.05 1wwv h ALA 20 N 1.77 2.20 0.00 1.67 0.00 -1.81 0.12 119.26 123.20 1wwv h ALA 20 Ca 0.67 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.49 1wwv h ALA 20 Cb 1.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wwv h ALA 20 CO -0.52 -0.29 -0.41 1.15 0.00 0.00 0.00 179.25 179.18 1wwv h THR 21 N 0.13 0.76 0.00 0.00 2.02 0.16 -2.60 112.91 113.38 1wwv h THR 21 Ca 0.18 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1wwv h THR 21 Cb 0.55 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.21 1wwv h THR 21 CO -0.02 0.40 -0.87 -0.25 0.37 0.00 0.00 175.52 175.15 1wwv h TRP 22 N 0.00 0.00 0.17 3.16 7.01 -0.61 -3.28 115.95 122.40 1wwv h TRP 22 Ca -0.00 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.66 1wwv h TRP 22 Cb 1.22 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 28.28 1wwv h TRP 22 CO 0.00 0.00 -1.68 -0.07 -2.79 0.00 0.00 178.44 173.90 1wwv h LEU 23 N 0.00 0.56 -1.53 0.65 3.38 -0.90 -3.15 115.31 114.33 1wwv h LEU 23 Ca 0.00 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 57.13 1wwv h LEU 23 Cb 0.98 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1wwv h LEU 23 CO 0.00 1.68 -0.15 0.08 0.09 0.00 0.00 178.44 180.14 1wwv h ARG 24 N 0.10 0.00 0.00 1.13 -0.00 -1.61 -2.81 114.38 111.19 1wwv h ARG 24 Ca -0.31 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 59.46 1wwv h ARG 24 Cb 2.08 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 32.02 1wwv h ARG 24 CO 0.18 0.15 -1.17 0.78 -0.00 0.00 0.00 179.97 179.90 1wwv h GLY 25 N 1.55 0.00 -0.15 0.08 0.00 -1.65 -3.35 103.07 99.54 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 0.02 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.91 1wwv h LEU 26 N 0.00 -0.39 -7.20 3.11 3.38 -1.45 -3.45 115.31 109.31 1wwv h LEU 26 Ca -0.11 0.17 0.24 0.00 0.09 0.00 0.00 57.88 58.27 1wwv h LEU 26 Cb 1.73 0.32 -0.14 0.00 0.09 0.00 0.00 40.66 42.66 1wwv h LEU 26 CO 0.09 -0.16 0.70 -0.62 0.09 0.00 0.00 178.44 178.54 1wwv s ASP 27 N -5.23 -0.16 0.11 -0.43 2.15 -1.26 -5.04 116.67 106.82 1wwv s ASP 27 Ca -0.14 -0.12 0.02 0.00 0.43 0.00 0.00 52.55 52.74 1wwv s ASP 27 Cb 0.19 0.26 -0.20 0.00 -0.30 0.00 0.00 42.92 42.87 1wwv s ASP 27 CO 0.74 -0.45 1.25 0.44 -0.17 0.00 0.00 175.17 176.97 1wwv h ASP 28 N 2.00 0.20 0.00 -0.34 5.19 -1.88 -2.76 116.42 118.83 1wwv h ASP 28 Ca -0.21 -0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1wwv h ASP 28 Cb 1.20 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1wwv h ASP 28 CO 0.27 1.13 0.08 0.77 -3.12 0.00 0.00 179.24 178.37 1wwv h SER 29 N 0.04 0.00 0.00 6.45 4.64 -1.96 -0.45 113.55 122.28 1wwv h SER 29 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1wwv h SER 29 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 1wwv h SER 29 CO 0.16 0.00 -1.45 0.18 -0.87 0.00 0.00 176.83 174.85 1wwv n LEU 30 N -2.81 0.07 0.34 5.97 4.77 -1.21 -4.46 117.00 119.66 1wwv n LEU 30 Ca -0.02 -0.06 0.15 0.00 -0.03 0.00 0.00 56.01 56.04 1wwv n LEU 30 Cb 0.14 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.01 1wwv n LEU 30 CO 0.16 0.02 1.12 1.56 -1.33 0.00 0.00 177.39 178.91 1wwv h GLN 31 N 0.00 0.00 -0.05 3.23 4.20 -0.76 0.21 115.11 121.94 1wwv h GLN 31 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1wwv h GLN 31 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1wwv h GLN 31 CO 0.00 0.00 -0.25 0.22 -0.67 0.00 0.00 178.83 178.13 1wwv h ASP 32 N 0.00 0.30 -1.98 1.46 3.58 -1.78 -3.45 116.42 114.54 1wwv h ASP 32 Ca 0.00 -0.66 -0.65 0.00 0.42 0.00 0.00 57.03 56.14 1wwv h ASP 32 Cb 0.73 -0.09 0.08 0.00 1.72 0.00 0.00 39.33 41.77 1wwv h ASP 32 CO -0.00 0.91 0.32 -1.22 -2.88 0.00 0.00 179.24 176.37 1wwv n TYR 33 N -4.51 1.40 -2.07 0.28 4.02 0.06 -4.78 117.16 111.56 1wwv n TYR 33 Ca -0.09 0.65 -0.28 0.00 -0.01 0.00 0.00 57.90 58.17 1wwv n TYR 33 Cb 0.46 -2.30 -0.06 0.00 -0.02 0.00 0.00 39.34 37.42 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 -0.28 2.50 0.11 -0.72 0.04 -1.26 -4.74 135.00 130.64 1wwv s PRO 34 Ca 0.74 -1.19 -0.17 0.00 0.04 0.00 0.00 61.00 60.42 1wwv s PRO 34 Cb -0.84 -5.25 -0.04 0.00 0.04 0.00 0.00 34.50 28.40 1wwv s PRO 34 CO 0.51 -4.00 1.57 0.74 0.04 0.00 0.00 177.00 175.86 1wwv h PHE 35 N 9.68 0.61 0.00 0.56 0.04 -1.91 -2.21 116.94 123.71 1wwv h PHE 35 Ca 0.22 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1wwv h PHE 35 Cb 0.94 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1wwv h PHE 35 CO 1.21 0.66 0.06 1.49 -0.60 0.00 0.00 178.31 181.13 1wwv h GLU 36 N 0.39 0.00 0.00 1.51 4.81 -1.91 0.16 114.58 119.54 1wwv h GLU 36 Ca 0.10 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.24 1wwv h GLU 36 Cb 0.40 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1wwv h GLU 36 CO 0.01 0.00 -1.71 -0.25 -0.73 0.00 0.00 179.01 176.33 1wwv n ASP 37 N -2.38 0.36 -0.28 1.04 9.92 -0.87 -4.27 116.55 120.08 1wwv n ASP 37 Ca -0.02 0.15 -0.05 0.00 -0.53 0.00 0.00 54.79 54.34 1wwv n ASP 37 Cb 0.10 1.14 0.06 0.00 -0.64 0.00 0.00 41.12 41.78 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 1wwv h TRP 38 N 0.00 1.01 -5.78 1.24 4.06 -0.23 -3.46 115.95 112.80 1wwv h TRP 38 Ca -0.11 -0.01 -0.43 0.00 2.06 0.00 0.00 58.89 60.40 1wwv h TRP 38 Cb 1.29 -0.33 -0.06 0.00 -1.00 0.00 0.00 29.16 29.06 1wwv h TRP 38 CO 0.00 0.69 -0.66 1.04 -3.56 0.00 0.00 178.44 175.95 1wwv n GLN 39 N -4.48 -4.34 -3.10 0.49 6.02 -1.21 -4.92 117.38 105.84 1wwv n GLN 39 Ca 0.07 0.56 -0.41 0.00 -0.01 0.00 0.00 57.00 57.21 1wwv n GLN 39 Cb 0.07 -5.36 -0.06 0.00 1.02 0.00 0.00 30.24 25.91 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 -6.88 4.08 0.41 1.08 2.96 -1.26 -4.86 118.68 114.21 1wwv s LEU 40 Ca 0.52 0.64 -0.25 0.00 -0.22 0.00 0.00 54.13 54.83 1wwv s LEU 40 Cb -0.27 -2.85 -0.08 0.00 0.50 0.00 0.00 46.19 43.49 1wwv s LEU 40 CO 0.64 -0.40 1.19 -2.16 -1.32 0.00 0.00 176.35 174.30 1wwv s PRO 41 N 2.55 3.99 0.15 0.98 0.04 -1.26 -4.14 135.00 137.31 1wwv s PRO 41 Ca 0.26 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.86 1wwv s PRO 41 Cb -0.15 -2.64 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 1wwv s PRO 41 CO 0.09 -0.38 1.55 0.78 0.04 0.00 0.00 177.00 179.08 1wwv h GLY 42 N 2.55 -0.88 -1.14 0.56 0.00 -1.66 0.33 103.07 102.83 1wwv h GLY 42 Ca -0.49 0.74 0.41 0.00 0.00 0.00 0.00 47.33 47.99 1wwv h GLY 42 CO 0.62 -0.06 0.71 0.58 0.00 0.00 0.00 176.54 178.40 1wwv n LYS 43 N -5.33 -0.04 0.10 4.80 0.00 -0.77 0.24 118.16 117.16 1wwv n LYS 43 Ca -0.01 1.13 -0.19 0.00 -0.00 0.00 0.00 58.31 59.24 1wwv n LYS 43 Cb 0.31 -2.18 -0.15 0.00 -0.00 0.00 0.00 35.03 33.02 1wwv n LYS 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1wwv h ASN 44 N 0.00 0.53 -1.08 -5.58 4.21 -0.71 -3.22 115.58 109.73 1wwv h ASN 44 Ca 0.77 -0.62 0.29 0.00 1.21 0.00 0.00 56.30 57.94 1wwv h ASN 44 Cb 2.39 -0.17 -0.09 0.00 -1.12 0.00 0.00 38.32 39.32 1wwv h ASN 44 CO -0.47 1.50 0.70 0.25 -1.29 0.00 0.00 177.43 178.12 1wwv h LEU 45 N 0.09 0.39 0.00 1.61 5.85 0.45 1.28 115.31 124.99 1wwv h LEU 45 Ca -0.21 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1wwv h LEU 45 Cb 2.04 0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.10 1wwv h LEU 45 CO 0.21 0.05 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.70 1wwv h LEU 46 N 0.33 0.00 -1.60 2.25 3.38 -1.55 -3.28 115.31 114.84 1wwv h LEU 46 Ca 0.62 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1wwv h LEU 46 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1wwv h LEU 46 CO -0.29 0.09 -0.15 0.00 0.09 0.00 0.00 178.44 178.19 1wwv n GLN 47 N -2.16 1.89 -0.34 1.13 6.02 0.37 -4.99 117.38 119.30 1wwv n GLN 47 Ca 0.03 -1.58 -0.28 0.00 -0.01 0.00 0.00 57.00 55.16 1wwv n GLN 47 Cb 0.44 -1.44 0.27 0.00 1.02 0.00 0.00 30.24 30.53 1wwv n GLN 47 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1wwv n LEU 48 N 0.87 -0.95 -3.51 1.08 4.77 0.26 -5.04 117.00 114.48 1wwv n LEU 48 Ca 0.12 -0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 55.40 1wwv n LEU 48 Cb 0.53 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1wwv n LEU 48 CO 0.18 -4.08 0.63 0.00 -1.33 0.00 0.00 177.39 172.80 1wwv n PRO 50 N -0.29 0.17 0.04 0.00 -0.04 -1.26 -1.23 135.00 132.39 1wwv n PRO 50 Ca -0.10 0.41 -0.03 0.00 -0.04 0.00 0.00 63.50 63.73 1wwv n PRO 50 Cb 0.62 -1.83 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 1wwv n PRO 50 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1wwv h GLN 51 N 0.00 0.00 0.09 0.54 5.75 -1.95 -3.36 115.11 116.17 1wwv h GLN 51 Ca 0.00 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.13 1wwv h GLN 51 Cb 0.34 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1wwv h GLN 51 CO 0.00 0.51 -2.08 0.45 -2.65 0.00 0.00 178.83 175.06 1wwv n SER 52 N -3.08 2.08 -0.35 -0.69 2.88 -1.01 -4.23 113.62 109.22 1wwv n SER 52 Ca -0.08 0.14 0.25 0.00 -1.33 0.00 0.00 58.87 57.86 1wwv n SER 52 Cb 0.89 -0.77 0.50 0.00 -0.75 0.00 0.00 64.21 64.08 1wwv n SER 52 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1wwv h LEU 53 N -0.02 0.49 -1.33 2.46 3.38 -1.34 0.63 115.31 119.57 1wwv h LEU 53 Ca -0.46 0.16 0.20 0.00 0.09 0.00 0.00 57.88 57.88 1wwv h LEU 53 Cb 1.96 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.74 1wwv h LEU 53 CO 0.02 -0.09 0.61 -0.33 0.09 0.00 0.00 178.44 178.75 1wwv h GLU 54 N 0.33 0.51 -0.12 1.13 5.08 -1.57 0.33 114.58 120.27 1wwv h GLU 54 Ca 0.72 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 59.04 1wwv h GLU 54 Cb 1.73 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.86 1wwv h GLU 54 CO -0.53 0.34 0.02 0.00 -1.00 0.00 0.00 179.01 177.84 1wwv h ALA 55 N 1.62 1.81 -0.39 3.43 0.00 0.04 -1.34 119.26 124.43 1wwv h ALA 55 Ca 0.52 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.19 1wwv h ALA 55 Cb 1.11 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 1wwv h ALA 55 CO -0.25 0.15 0.22 1.28 0.00 0.00 0.00 179.25 180.65 1wwv n LEU 56 N -4.45 4.29 -1.63 0.00 4.77 0.11 -4.81 117.00 115.28 1wwv n LEU 56 Ca -0.01 -2.23 -0.15 0.00 -0.03 0.00 0.00 56.01 53.60 1wwv n LEU 56 Cb 0.13 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1wwv n LEU 56 CO 0.35 0.67 -0.18 0.00 -1.33 0.00 0.00 177.39 176.90 1wwv n ALA 57 N -0.11 -0.42 -3.89 -1.18 0.00 -0.51 -4.97 120.51 109.43 1wwv n ALA 57 Ca 0.23 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1wwv n ALA 57 Cb 0.94 -1.68 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.72 2.59 -0.16 0.00 1.01 -0.96 -4.86 120.40 115.31 1wwv s VAL 58 Ca 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 61.98 58.33 1wwv s VAL 58 Cb 0.00 -2.75 -0.14 0.00 0.00 0.00 0.00 36.38 33.49 1wwv s VAL 58 CO 0.00 -0.92 -0.06 0.54 0.00 0.00 0.00 175.10 174.66 1wwv n ARG 59 N 2.57 1.06 -1.67 2.72 1.74 -1.26 -2.11 116.66 119.72 1wwv n ARG 59 Ca 0.13 0.05 -0.53 0.00 -0.77 0.00 0.00 57.85 56.74 1wwv n ARG 59 Cb 0.34 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 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 -2.78 2.85 0.04 0.55 7.64 -1.26 -4.86 113.62 115.80 1wwv n SER 60 Ca -0.27 0.95 -0.11 0.00 1.01 0.00 0.00 58.87 60.44 1wwv n SER 60 Cb 0.90 -1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 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 8.79 -0.78 -0.96 -3.43 7.12 -1.99 -2.23 115.31 121.83 1wwv h LEU 61 Ca -0.45 0.11 0.16 0.00 0.13 0.00 0.00 57.88 57.83 1wwv h LEU 61 Cb 1.30 0.32 -0.16 0.00 -0.53 0.00 0.00 40.66 41.59 1wwv h LEU 61 CO 0.96 -0.32 -0.34 1.23 -0.13 0.00 0.00 178.44 179.84 1wwv h GLY 62 N -0.38 0.25 1.00 3.75 0.00 -2.00 0.28 103.07 105.97 1wwv h GLY 62 Ca 0.07 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1wwv h GLY 62 CO -0.25 -0.25 0.18 0.45 0.00 0.00 0.00 176.54 176.66 1wwv h HIS 63 N -0.01 0.34 -0.76 5.60 3.86 -1.84 -2.31 115.15 120.03 1wwv h HIS 63 Ca 0.37 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.69 1wwv h HIS 63 Cb 0.63 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.91 1wwv h HIS 63 CO -0.82 0.22 0.41 1.96 0.86 0.00 0.00 177.93 180.56 1wwv h GLN 64 N 0.36 0.66 -0.92 2.45 4.20 0.00 -1.16 115.11 120.71 1wwv h GLN 64 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1wwv h GLN 64 Cb -0.03 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1wwv h GLN 64 CO -0.02 0.44 0.52 0.93 -0.67 0.00 0.00 178.83 180.03 1wwv h GLU 65 N 0.68 1.27 0.27 1.46 5.08 -0.48 0.40 114.58 123.26 1wwv h GLU 65 Ca 0.37 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1wwv h GLU 65 Cb 0.38 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1wwv h GLU 65 CO -0.26 0.91 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.36 1wwv h LEU 66 N 1.28 -0.61 0.32 1.33 3.38 -0.68 0.31 115.31 120.64 1wwv h LEU 66 Ca 0.33 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1wwv h LEU 66 Cb -0.01 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1wwv h LEU 66 CO -0.06 -0.35 -0.15 0.40 0.09 0.00 0.00 178.44 178.37 1wwv h ILE 67 N -0.52 0.48 -0.99 1.22 2.04 -1.29 -3.21 117.51 115.25 1wwv h ILE 67 Ca -0.01 -0.76 0.24 0.00 1.00 0.00 0.00 64.86 65.32 1wwv h ILE 67 Cb 0.47 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.23 1wwv h ILE 67 CO -0.03 0.11 0.64 -0.07 0.00 0.00 0.00 178.15 178.80 1wwv h LEU 68 N -0.95 0.46 -2.00 1.44 3.38 -0.25 0.34 115.31 117.74 1wwv h LEU 68 Ca -0.04 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1wwv h LEU 68 Cb 0.51 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1wwv h LEU 68 CO 0.07 0.14 0.05 1.23 0.09 0.00 0.00 178.44 180.02 1wwv h GLY 69 N 0.43 0.01 0.82 0.83 0.00 -0.37 -2.02 103.07 102.77 1wwv h GLY 69 Ca 0.55 -0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.52 1wwv h GLY 69 CO -0.25 0.00 -1.84 -1.33 0.00 0.00 0.00 176.54 173.12 1wwv h GLY 70 N 0.01 0.36 0.89 4.60 0.00 -0.39 -3.36 103.07 105.18 1wwv h GLY 70 Ca 0.04 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.47 1wwv h GLY 70 CO -0.00 0.81 0.48 -2.08 0.00 0.00 0.00 176.54 175.75 1wwv h VAL 71 N 0.09 1.12 -0.41 4.60 2.07 -1.06 -1.25 116.25 121.40 1wwv h VAL 71 Ca -0.37 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 66.94 1wwv h VAL 71 Cb 2.06 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1wwv h VAL 71 CO 0.14 0.17 0.29 1.05 0.02 0.00 0.00 177.57 179.24 1wwv h GLU 72 N 0.94 0.07 0.18 1.57 4.11 -1.53 -1.05 114.58 118.87 1wwv h GLU 72 Ca 0.30 -0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.41 1wwv h GLU 72 Cb -0.01 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.26 1wwv h GLU 72 CO -0.10 0.04 -1.35 1.96 0.07 0.00 0.00 179.01 179.63 1wwv h GLN 73 N 0.07 0.56 0.33 1.06 1.08 -1.40 -3.35 115.11 113.45 1wwv h GLN 73 Ca 0.19 -0.84 -0.02 0.00 -1.45 0.00 0.00 58.65 56.54 1wwv h GLN 73 Cb 0.69 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 1wwv h GLN 73 CO -0.01 1.39 -0.16 -0.07 -0.95 0.00 0.00 178.83 179.03 1wwv h LEU 74 N 0.20 -0.38 -1.45 1.46 3.38 -0.54 -2.61 115.31 115.38 1wwv h LEU 74 Ca -0.21 -0.05 0.44 0.00 0.09 0.00 0.00 57.88 58.15 1wwv h LEU 74 Cb 2.03 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.80 1wwv h LEU 74 CO 0.25 -0.19 1.01 0.00 0.09 0.00 0.00 178.44 179.60 1wwv n GLN 75 N -5.24 -0.01 0.01 1.13 1.13 -0.54 0.46 117.38 114.32 1wwv n GLN 75 Ca -0.10 0.93 -0.00 0.00 -1.94 0.00 0.00 57.00 55.89 1wwv n GLN 75 Cb 0.22 -2.03 -0.00 0.00 0.11 0.00 0.00 30.24 28.54 1wwv n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wwv h ALA 76 N 0.98 -0.34 0.00 -1.58 0.00 -1.62 0.17 119.26 116.86 1wwv h ALA 76 Ca 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.66 1wwv h ALA 76 Cb 2.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.63 1wwv h ALA 76 CO -0.14 -0.34 0.14 1.37 0.00 0.00 0.00 179.25 180.28 1wwv h LEU 77 N -0.07 0.00 0.00 0.00 8.10 -0.95 0.40 115.31 122.79 1wwv h LEU 77 Ca -0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1wwv h LEU 77 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.24 1wwv h LEU 77 CO 0.00 0.00 -1.61 -0.24 -4.11 0.00 0.00 178.44 172.48 1wwv n SER 78 N -2.60 0.35 -0.02 0.17 2.88 0.17 -4.66 113.62 109.91 1wwv n SER 78 Ca -0.02 0.14 -0.02 0.00 -1.33 0.00 0.00 58.87 57.64 1wwv n SER 78 Cb 0.18 1.31 -0.01 0.00 -0.75 0.00 0.00 64.21 64.94 1wwv n SER 78 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wwv n SER 79 N -2.46 0.54 -3.30 -3.46 2.88 0.10 -4.84 113.62 103.08 1wwv n SER 79 Ca -0.04 0.11 -0.19 0.00 -1.33 0.00 0.00 58.87 57.43 1wwv n SER 79 Cb 0.59 -0.57 0.08 0.00 -0.75 0.00 0.00 64.21 63.56 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 -3.03 -6.75 -3.63 -1.46 1.74 0.93 -5.01 116.66 99.46 1wwv n ARG 80 Ca -0.04 0.77 -0.11 0.00 -0.77 0.00 0.00 57.85 57.70 1wwv n ARG 80 Cb 0.14 -5.62 -0.11 0.00 -1.02 0.00 0.00 32.46 25.85 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 -6.42 -0.46 -1.24 0.55 1.43 -1.26 -4.90 118.68 106.37 1wwv s LEU 81 Ca 0.27 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1wwv s LEU 81 Cb -0.12 0.99 0.01 0.00 0.03 0.00 0.00 46.19 47.10 1wwv s LEU 81 CO 0.67 -0.25 1.09 0.00 0.23 0.00 0.00 176.35 178.10 1wwv n GLN 82 N 5.37 -7.32 -2.97 1.70 3.00 -1.26 -4.96 117.38 110.93 1wwv n GLN 82 Ca -0.07 0.76 -0.41 0.00 -0.01 0.00 0.00 57.00 57.28 1wwv n GLN 82 Cb 0.50 -5.60 -0.05 0.00 0.00 0.00 0.00 30.24 25.09 1wwv n GLN 82 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1wwv s THR 83 N -3.29 4.95 -0.05 5.09 -1.32 -1.26 -5.04 115.64 114.72 1wwv s THR 83 Ca 0.54 1.50 -0.01 0.00 -1.21 0.00 0.00 61.69 62.51 1wwv s THR 83 Cb -0.24 -4.08 0.03 0.00 -1.51 0.00 0.00 72.50 66.71 1wwv s THR 83 CO 0.67 0.11 0.01 -1.61 -2.21 0.00 0.00 174.62 171.59 1wwv s GLU 84 N 1.70 0.38 -0.42 7.08 2.02 -1.26 -5.11 118.70 123.10 1wwv s GLU 84 Ca 0.36 0.14 -0.29 0.00 0.02 0.00 0.00 54.97 55.20 1wwv s GLU 84 Cb -0.17 -0.70 0.01 0.00 0.10 0.00 0.00 34.13 33.37 1wwv s GLU 84 CO 0.14 -0.23 1.47 1.21 0.02 0.00 0.00 175.26 177.87 1wwv s ASN 85 N 1.61 6.24 0.25 -0.19 3.84 -1.26 -4.97 114.94 120.45 1wwv s ASN 85 Ca -0.01 0.84 -0.31 0.00 0.21 0.00 0.00 52.86 53.59 1wwv s ASN 85 Cb -0.13 -2.54 -0.11 0.00 -0.55 0.00 0.00 41.25 37.93 1wwv s ASN 85 CO -0.03 -1.51 1.56 -0.44 -2.79 0.00 0.00 177.10 173.89 1wwv s SER 86 N 4.34 6.49 0.00 -4.21 0.01 -1.26 -4.70 113.70 114.37 1wwv s SER 86 Ca 0.63 2.80 0.00 0.00 1.31 0.00 0.00 55.95 60.69 1wwv s SER 86 Cb -0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1wwv s SER 86 CO 0.32 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1wwv n GLY 87 N 2.69 1.39 0.18 3.44 0.00 -1.26 -5.03 105.19 106.60 1wwv n GLY 87 Ca 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.48 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 0.17 -4.63 1.61 0.13 -2.04 -3.41 132.00 123.83 1wwv h PRO 88 Ca 0.00 -0.09 -0.70 0.00 -0.87 0.00 0.00 66.00 64.34 1wwv h PRO 88 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 1wwv h PRO 88 CO 0.00 0.61 -0.39 -1.12 -0.23 0.00 0.00 178.00 176.86 1wwv s SER 89 N -6.89 6.12 -0.35 1.44 0.01 -1.26 -5.03 113.70 107.74 1wwv s SER 89 Ca -0.04 -0.74 -0.28 0.00 1.31 0.00 0.00 55.95 56.21 1wwv s SER 89 Cb 0.13 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 1wwv s SER 89 CO 0.77 -0.43 2.01 -0.94 0.41 0.00 0.00 173.24 175.06 1wwv s SER 90 N 1.71 5.49 0.00 2.44 1.04 -1.26 -5.23 113.70 117.89 1wwv s SER 90 Ca 0.07 1.32 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1wwv s SER 90 Cb -0.18 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1wwv s SER 90 CO 0.11 -2.03 0.00 0.61 0.98 0.00 0.00 173.24 172.91