#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 0.41 0.08 1.61 1.04 -1.26 -5.15 113.70 110.42 1wwv s SER 2 Ca 0.00 -0.04 0.06 0.00 0.48 0.00 0.00 55.95 56.45 1wwv s SER 2 Cb 0.00 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1wwv s SER 2 CO 0.00 -0.04 -0.09 -0.55 0.98 0.00 0.00 173.24 173.54 1wwv s SER 3 N 0.52 4.44 -0.19 7.02 0.15 -1.26 -5.04 113.70 119.34 1wwv s SER 3 Ca -0.05 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 1wwv s SER 3 Cb -0.08 -0.89 -0.10 0.00 -1.71 0.00 0.00 66.02 63.23 1wwv s SER 3 CO -0.01 0.21 -0.20 0.61 1.20 0.00 0.00 173.24 175.05 1wwv n GLY 4 N 0.95 -0.28 3.68 9.45 0.00 -1.26 -4.96 105.19 112.77 1wwv n GLY 4 Ca -0.14 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1wwv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwv s SER 5 N -6.15 6.59 -0.55 1.61 0.01 -1.26 -5.03 113.70 108.91 1wwv s SER 5 Ca -0.25 0.71 -0.22 0.00 1.31 0.00 0.00 55.95 57.49 1wwv s SER 5 Cb 0.08 -2.29 0.05 0.00 0.21 0.00 0.00 66.02 64.07 1wwv s SER 5 CO 0.39 -0.12 0.84 -0.55 0.41 0.00 0.00 173.24 174.20 1wwv s SER 6 N 1.00 6.27 0.00 2.44 0.15 -1.26 -4.87 113.70 117.43 1wwv s SER 6 Ca 0.24 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1wwv s SER 6 Cb -0.15 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1wwv s SER 6 CO 0.10 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.00 1wwv n GLY 7 N 5.17 -0.00 3.19 9.45 0.00 -1.26 -5.01 105.19 116.72 1wwv n GLY 7 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.47 0.43 0.44 1.61 -2.45 -1.26 -4.87 119.30 112.73 1wwv s MET 8 Ca 0.00 0.79 -0.24 0.00 -1.25 0.00 0.00 55.69 54.99 1wwv s MET 8 Cb 0.00 0.44 -0.09 0.00 1.25 0.00 0.00 34.83 36.43 1wwv s MET 8 CO 0.00 -0.43 1.11 0.39 1.05 0.00 0.00 175.02 177.14 1wwv n GLU 9 N 5.42 1.52 -2.22 4.11 4.71 -1.26 -4.91 120.64 128.00 1wwv n GLU 9 Ca -0.04 0.55 -0.41 0.00 -0.01 0.00 0.00 57.16 57.24 1wwv n GLU 9 Cb 0.52 -2.19 -0.03 0.00 -1.01 0.00 0.00 31.44 28.73 1wwv n GLU 9 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wwv s PRO 10 N -2.19 4.38 0.17 3.49 0.04 -1.26 -4.89 135.00 134.74 1wwv s PRO 10 Ca 0.64 2.04 0.12 0.00 0.04 0.00 0.00 61.00 63.84 1wwv s PRO 10 Cb -0.52 -3.21 0.63 0.00 0.04 0.00 0.00 34.50 31.44 1wwv s PRO 10 CO 0.56 -0.28 1.37 0.28 0.04 0.00 0.00 177.00 178.97 1wwv n VAL 11 N 2.89 1.44 0.34 -0.36 0.31 -1.26 -0.69 118.33 121.00 1wwv n VAL 11 Ca 0.07 0.59 0.12 0.00 -0.01 0.00 0.00 64.34 65.11 1wwv n VAL 11 Cb 0.43 -1.57 0.26 0.00 -0.91 0.00 0.00 33.84 32.04 1wwv n VAL 11 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1wwv h GLU 12 N 0.00 0.00 0.00 5.55 4.11 -1.90 -3.23 114.58 119.11 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 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wwv h GLU 12 CO 0.00 0.00 -1.26 0.25 0.07 0.00 0.00 179.01 178.07 1wwv n THR 13 N -2.84 0.00 -1.10 -1.06 -2.24 0.13 -1.40 114.28 105.77 1wwv n THR 13 Ca 0.04 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1wwv n THR 13 Cb 0.49 0.56 0.07 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.73 -1.83 -3.00 4.78 7.02 -1.04 -4.82 117.44 116.82 1wwv n TRP 14 Ca 0.00 0.27 -0.27 0.00 -1.02 0.00 0.00 57.50 56.48 1wwv n TRP 14 Cb 0.34 -1.79 -0.02 0.00 -2.42 0.00 0.00 31.31 27.43 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 -2.06 4.96 -2.00 -0.99 -4.23 -1.26 -2.06 115.64 108.00 1wwv s THR 15 Ca 0.59 0.09 0.11 0.00 -1.18 0.00 0.00 61.69 61.29 1wwv s THR 15 Cb -0.30 -3.81 0.30 0.00 1.34 0.00 0.00 72.50 70.03 1wwv s THR 15 CO 0.65 -0.61 1.07 -0.81 -0.54 0.00 0.00 174.62 174.39 1wwv n PRO 16 N -1.68 0.49 -0.01 3.99 -0.04 -1.26 -2.17 135.00 134.32 1wwv n PRO 16 Ca -0.01 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1wwv n PRO 16 Cb 0.55 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.78 0.13 0.55 0.00 -1.26 -4.13 105.19 99.67 1wwv n GLY 17 Ca 0.08 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.87 0.71 -0.30 1.61 5.02 -0.92 -4.36 118.16 118.05 1wwv n LYS 18 Ca -0.01 0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.56 1wwv n LYS 18 Cb 0.40 -1.65 0.15 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.16 -1.08 -0.18 2.07 -1.78 0.82 116.25 116.31 1wwv h VAL 19 Ca -0.47 -0.01 0.29 0.00 0.82 0.00 0.00 66.70 67.33 1wwv h VAL 19 Cb 2.00 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 31.82 1wwv h VAL 19 CO 0.03 0.00 0.71 0.00 0.02 0.00 0.00 177.57 178.34 1wwv h ALA 20 N 1.85 2.44 0.00 1.67 0.00 -1.81 0.85 119.26 124.26 1wwv h ALA 20 Ca 0.44 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.28 1wwv h ALA 20 Cb 0.75 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1wwv h ALA 20 CO -0.85 -0.84 -0.57 1.15 0.00 0.00 0.00 179.25 178.13 1wwv h THR 21 N 0.29 1.09 0.00 0.00 2.02 0.42 -2.00 112.91 114.74 1wwv h THR 21 Ca 0.60 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 65.53 1wwv h THR 21 Cb 1.71 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1wwv h THR 21 CO -0.24 0.56 -0.52 -0.25 0.37 0.00 0.00 175.52 175.44 1wwv h TRP 22 N 0.00 0.00 0.06 3.16 7.01 0.99 -3.27 115.95 123.91 1wwv h TRP 22 Ca -0.01 0.00 -0.34 0.00 2.11 0.00 0.00 58.89 60.65 1wwv h TRP 22 Cb 1.29 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.32 1wwv h TRP 22 CO 0.00 0.00 -1.90 1.28 -2.79 0.00 0.00 178.44 175.03 1wwv n LEU 23 N -2.16 2.40 0.30 0.65 4.77 0.69 -3.38 117.00 120.27 1wwv n LEU 23 Ca 0.04 0.24 0.17 0.00 -0.03 0.00 0.00 56.01 56.42 1wwv n LEU 23 Cb 0.44 -1.02 0.91 0.00 -2.33 0.00 0.00 43.42 41.42 1wwv n LEU 23 CO 0.35 0.68 1.07 0.08 -1.33 0.00 0.00 177.39 178.24 1wwv h ARG 24 N -0.34 0.00 0.06 3.23 -0.00 -1.51 -2.46 114.38 113.37 1wwv h ARG 24 Ca -0.45 0.00 -0.30 0.00 -0.00 0.00 0.00 59.98 59.23 1wwv h ARG 24 Cb 1.77 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.71 1wwv h ARG 24 CO -0.07 0.04 -1.62 0.78 -0.00 0.00 0.00 179.97 179.10 1wwv h GLY 25 N 0.58 0.15 -0.81 0.08 0.00 -1.71 -3.38 103.07 97.98 1wwv h GLY 25 Ca -0.00 -0.39 0.14 0.00 0.00 0.00 0.00 47.33 47.08 1wwv h GLY 25 CO 0.01 0.34 -0.28 1.04 0.00 0.00 0.00 176.54 177.65 1wwv n LEU 26 N -3.29 -0.45 -3.65 3.11 4.77 -0.92 -4.75 117.00 111.82 1wwv n LEU 26 Ca -0.18 1.40 -0.03 0.00 -0.03 0.00 0.00 56.01 57.18 1wwv n LEU 26 Cb 1.04 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 1wwv n LEU 26 CO 0.47 -1.29 0.86 -0.62 -1.33 0.00 0.00 177.39 175.48 1wwv s ASP 27 N -5.26 -0.16 0.36 -1.43 2.15 -1.26 -5.03 116.67 106.04 1wwv s ASP 27 Ca -0.11 -0.20 0.20 0.00 0.43 0.00 0.00 52.55 52.86 1wwv s ASP 27 Cb 0.18 0.32 0.45 0.00 -0.30 0.00 0.00 42.92 43.57 1wwv s ASP 27 CO 0.59 -0.57 1.62 -0.78 -0.17 0.00 0.00 175.17 175.86 1wwv h ASP 28 N 2.00 0.00 0.96 -0.34 3.58 -1.85 -3.03 116.42 117.74 1wwv h ASP 28 Ca -0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1wwv h ASP 28 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1wwv h ASP 28 CO 0.27 0.33 0.00 -1.28 -2.88 0.00 0.00 179.24 175.68 1wwv h SER 29 N 0.00 0.00 -0.02 2.28 0.87 -1.96 -2.31 113.55 112.41 1wwv h SER 29 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wwv h SER 29 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1wwv h SER 29 CO 0.04 0.00 -0.13 0.18 -0.53 0.00 0.00 176.83 176.39 1wwv n LEU 30 N -3.08 2.43 -1.47 2.23 4.77 -1.15 -4.46 117.00 116.27 1wwv n LEU 30 Ca 0.00 -0.92 -0.06 0.00 -0.03 0.00 0.00 56.01 55.00 1wwv n LEU 30 Cb 0.29 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1wwv n LEU 30 CO 0.27 0.43 0.90 0.00 -1.33 0.00 0.00 177.39 177.65 1wwv n GLN 31 N 0.77 1.28 0.00 3.23 1.13 -0.87 -3.40 117.38 119.52 1wwv n GLN 31 Ca 0.11 -0.58 0.00 0.00 -1.94 0.00 0.00 57.00 54.58 1wwv n GLN 31 Cb 0.48 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.60 1wwv n GLN 31 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1wwv n ASP 32 N 0.70 4.77 -4.77 1.08 -0.08 -1.26 -5.04 116.55 111.95 1wwv n ASP 32 Ca 0.11 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.00 1wwv n ASP 32 Cb 0.61 0.62 -0.06 0.00 2.34 0.00 0.00 41.12 44.62 1wwv n ASP 32 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1wwv s TYR 33 N -1.94 3.88 -1.15 -0.67 2.02 -1.22 -4.95 117.35 113.32 1wwv s TYR 33 Ca 0.00 1.80 -0.23 0.00 -0.37 0.00 0.00 57.07 58.28 1wwv s TYR 33 Cb 0.00 -2.91 -0.08 0.00 -0.40 0.00 0.00 41.96 38.57 1wwv s TYR 33 CO 0.00 0.40 1.94 -1.25 -1.57 0.00 0.00 175.55 175.07 1wwv s PRO 34 N -1.44 2.49 0.23 -1.71 0.04 -1.26 -4.74 135.00 128.62 1wwv s PRO 34 Ca 0.42 -1.06 -0.04 0.00 0.04 0.00 0.00 61.00 60.36 1wwv s PRO 34 Cb -0.23 -5.22 0.23 0.00 0.04 0.00 0.00 34.50 29.32 1wwv s PRO 34 CO 0.28 -3.92 1.69 0.74 0.04 0.00 0.00 177.00 175.83 1wwv h PHE 35 N 9.92 0.91 0.00 0.56 0.04 -1.93 -1.80 116.94 124.64 1wwv h PHE 35 Ca 0.20 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1wwv h PHE 35 Cb 0.95 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1wwv h PHE 35 CO 1.21 0.88 0.00 0.93 -0.60 0.00 0.00 178.31 180.73 1wwv h GLU 36 N 0.76 0.00 0.02 1.51 4.39 -1.92 -1.86 114.58 117.47 1wwv h GLU 36 Ca 0.13 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.48 1wwv h GLU 36 Cb 0.58 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.17 1wwv h GLU 36 CO 0.04 0.00 -2.18 -0.25 -1.16 0.00 0.00 179.01 175.46 1wwv n ASP 37 N -3.01 0.88 -0.33 1.42 8.00 -0.87 -4.32 116.55 118.32 1wwv n ASP 37 Ca -0.03 0.11 0.18 0.00 0.71 0.00 0.00 54.79 55.76 1wwv n ASP 37 Cb 0.08 0.21 0.38 0.00 -0.02 0.00 0.00 41.12 41.78 1wwv n ASP 37 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1wwv h TRP 38 N 0.01 0.82 -6.22 1.24 4.06 -0.51 -3.44 115.95 111.92 1wwv h TRP 38 Ca -0.47 0.04 -0.43 0.00 2.06 0.00 0.00 58.89 60.09 1wwv h TRP 38 Cb 2.09 -0.21 -0.20 0.00 -1.00 0.00 0.00 29.16 29.85 1wwv h TRP 38 CO 0.02 -0.07 -0.63 1.04 -3.56 0.00 0.00 178.44 175.23 1wwv n GLN 39 N -5.02 -2.38 -3.07 0.49 6.02 -1.22 -4.88 117.38 107.33 1wwv n GLN 39 Ca 0.27 0.26 -0.40 0.00 -0.01 0.00 0.00 57.00 57.11 1wwv n GLN 39 Cb 0.79 -4.90 -0.06 0.00 1.02 0.00 0.00 30.24 27.10 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 -6.64 4.14 0.70 1.08 2.96 -1.26 -4.83 118.68 114.82 1wwv s LEU 40 Ca 0.55 0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 55.21 1wwv s LEU 40 Cb -0.31 -2.96 0.02 0.00 0.50 0.00 0.00 46.19 43.44 1wwv s LEU 40 CO 0.67 -0.32 1.10 -2.16 -1.32 0.00 0.00 176.35 174.33 1wwv s PRO 41 N 2.06 2.61 0.12 0.98 0.04 -1.26 -4.12 135.00 135.42 1wwv s PRO 41 Ca 0.30 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 1wwv s PRO 41 Cb -0.16 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1wwv s PRO 41 CO 0.10 -1.39 1.77 0.78 0.04 0.00 0.00 177.00 178.30 1wwv h GLY 42 N -0.37 0.23 -1.31 0.56 0.00 -1.60 -1.78 103.07 98.80 1wwv h GLY 42 Ca -0.46 -0.08 0.46 0.00 0.00 0.00 0.00 47.33 47.25 1wwv h GLY 42 CO 0.53 0.07 0.83 0.58 0.00 0.00 0.00 176.54 178.56 1wwv n LYS 43 N -4.99 -0.04 0.00 4.80 2.85 -0.49 0.16 118.16 120.46 1wwv n LYS 43 Ca -0.04 1.22 -0.14 0.00 -1.05 0.00 0.00 58.31 58.30 1wwv n LYS 43 Cb 0.04 -2.39 -0.14 0.00 -0.65 0.00 0.00 35.03 31.89 1wwv n LYS 43 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1wwv h ASN 44 N 0.00 0.20 -0.87 -5.58 2.35 -1.73 -3.31 115.58 106.64 1wwv h ASN 44 Ca 0.85 -0.41 0.23 0.00 -0.55 0.00 0.00 56.30 56.42 1wwv h ASN 44 Cb 2.71 -0.07 -0.14 0.00 0.05 0.00 0.00 38.32 40.87 1wwv h ASN 44 CO -0.47 1.36 0.25 0.25 -1.65 0.00 0.00 177.43 177.16 1wwv h LEU 45 N 0.04 0.03 0.00 1.61 5.85 0.24 1.12 115.31 124.21 1wwv h LEU 45 Ca -0.32 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1wwv h LEU 45 Cb 2.01 0.25 0.00 0.00 0.37 0.00 0.00 40.66 43.29 1wwv h LEU 45 CO 0.10 -0.13 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.96 1wwv h LEU 46 N 0.23 0.00 -3.48 2.25 3.38 -1.61 -3.15 115.31 112.93 1wwv h LEU 46 Ca 0.54 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 1wwv h LEU 46 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1wwv h LEU 46 CO -0.63 0.00 0.02 0.00 0.09 0.00 0.00 178.44 177.92 1wwv n GLN 47 N -2.72 4.17 -0.70 1.13 6.02 0.35 -4.99 117.38 120.64 1wwv n GLN 47 Ca 0.05 -3.07 -0.18 0.00 -0.01 0.00 0.00 57.00 53.79 1wwv n GLN 47 Cb 0.49 -2.13 0.14 0.00 1.02 0.00 0.00 30.24 29.76 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 0.18 0.00 -3.54 1.08 4.77 0.10 -4.98 117.00 114.62 1wwv n LEU 48 Ca 0.27 -0.72 -0.07 0.00 -0.03 0.00 0.00 56.01 55.46 1wwv n LEU 48 Cb 1.12 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1wwv n LEU 48 CO 0.28 -1.60 0.74 0.00 -1.33 0.00 0.00 177.39 175.48 1wwv h PRO 50 N 2.00 0.00 0.08 0.00 0.13 -1.97 -1.81 132.00 130.42 1wwv h PRO 50 Ca -0.21 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.59 1wwv h PRO 50 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1wwv h PRO 50 CO 0.29 0.00 -1.86 0.37 -0.23 0.00 0.00 178.00 176.57 1wwv h GLN 51 N 0.00 0.17 -0.02 0.86 4.15 -1.95 -3.37 115.11 114.94 1wwv h GLN 51 Ca 0.00 -0.29 -0.09 0.00 0.77 0.00 0.00 58.65 59.04 1wwv h GLN 51 Cb 0.41 0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.21 1wwv h GLN 51 CO 0.00 0.95 -0.34 1.03 -1.93 0.00 0.00 178.83 178.54 1wwv h SER 52 N 0.05 0.34 -1.24 -0.69 0.87 -1.91 -3.23 113.55 107.74 1wwv h SER 52 Ca -0.36 -0.72 0.37 0.00 -1.23 0.00 0.00 61.79 59.84 1wwv h SER 52 Cb 2.03 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 63.79 1wwv h SER 52 CO 0.09 1.01 0.83 -0.07 -0.53 0.00 0.00 176.83 178.16 1wwv h LEU 53 N -0.31 0.26 -1.16 2.23 3.38 -1.52 0.54 115.31 118.72 1wwv h LEU 53 Ca -0.04 0.08 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1wwv h LEU 53 Cb 1.04 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 1wwv h LEU 53 CO 0.07 -0.04 0.61 -0.33 0.09 0.00 0.00 178.44 178.84 1wwv h GLU 54 N 0.18 0.72 -0.68 1.13 5.08 -1.28 0.11 114.58 119.83 1wwv h GLU 54 Ca 0.70 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 59.11 1wwv h GLU 54 Cb 2.21 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 31.26 1wwv h GLU 54 CO -0.27 0.48 0.45 0.00 -1.00 0.00 0.00 179.01 178.67 1wwv h ALA 55 N 1.60 1.92 -0.30 3.43 0.00 -0.08 0.97 119.26 126.79 1wwv h ALA 55 Ca 0.51 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.31 1wwv h ALA 55 Cb 0.80 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1wwv h ALA 55 CO -0.27 -0.06 0.13 1.28 0.00 0.00 0.00 179.25 180.32 1wwv n LEU 56 N -4.48 3.64 -1.16 0.00 4.77 0.31 -4.80 117.00 115.27 1wwv n LEU 56 Ca 0.11 -1.87 -0.11 0.00 -0.03 0.00 0.00 56.01 54.11 1wwv n LEU 56 Cb 0.36 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1wwv n LEU 56 CO 0.33 0.56 -0.13 0.00 -1.33 0.00 0.00 177.39 176.82 1wwv n ALA 57 N 0.05 -0.29 -3.92 -1.18 0.00 0.32 -4.98 120.51 110.51 1wwv n ALA 57 Ca 0.17 0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1wwv n ALA 57 Cb 0.78 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.51 2.77 -0.19 0.00 1.01 -0.83 -4.87 120.40 115.77 1wwv s VAL 58 Ca 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 61.98 58.41 1wwv s VAL 58 Cb 0.00 -2.88 -0.12 0.00 0.00 0.00 0.00 36.38 33.38 1wwv s VAL 58 CO 0.00 -0.86 -0.19 0.54 0.00 0.00 0.00 175.10 174.59 1wwv n ARG 59 N 2.81 0.47 -1.60 2.72 1.74 -1.26 -1.51 116.66 120.03 1wwv n ARG 59 Ca 0.09 0.12 -0.56 0.00 -0.77 0.00 0.00 57.85 56.74 1wwv n ARG 59 Cb 0.33 -1.36 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 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 -3.21 1.35 0.35 0.55 7.64 -1.26 -4.87 113.62 114.17 1wwv n SER 60 Ca -0.35 1.13 -0.17 0.00 1.01 0.00 0.00 58.87 60.48 1wwv n SER 60 Cb 0.85 -1.10 -0.09 0.00 -1.01 0.00 0.00 64.21 62.87 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 4.67 -0.72 -0.84 -3.43 7.12 -1.99 -2.82 115.31 117.30 1wwv h LEU 61 Ca -0.48 0.01 0.16 0.00 0.13 0.00 0.00 57.88 57.70 1wwv h LEU 61 Cb 1.36 0.19 -0.15 0.00 -0.53 0.00 0.00 40.66 41.52 1wwv h LEU 61 CO 0.79 -0.49 -0.23 0.61 -0.13 0.00 0.00 178.44 178.99 1wwv n GLY 62 N -1.35 -1.47 0.21 3.75 0.00 -1.26 0.08 105.19 105.14 1wwv n GLY 62 Ca -0.13 0.90 -0.15 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.43 -0.62 1.61 3.86 -1.91 -2.14 115.15 115.52 1wwv h HIS 63 Ca 0.38 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.70 1wwv h HIS 63 Cb 0.59 0.14 -0.10 0.00 1.06 0.00 0.00 27.41 29.10 1wwv h HIS 63 CO -0.66 -0.25 0.08 1.96 0.86 0.00 0.00 177.93 179.92 1wwv h GLN 64 N -0.48 0.19 -0.43 2.45 4.20 -0.10 -0.92 115.11 120.01 1wwv h GLN 64 Ca -0.05 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.70 1wwv h GLN 64 Cb 0.37 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1wwv h GLN 64 CO 0.08 0.13 0.19 0.93 -0.67 0.00 0.00 178.83 179.48 1wwv h GLU 65 N 0.20 0.37 -0.12 1.46 4.39 -0.75 0.40 114.58 120.53 1wwv h GLU 65 Ca 0.33 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.05 1wwv h GLU 65 Cb 0.52 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 1wwv h GLU 65 CO -0.46 0.24 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.21 1wwv h LEU 66 N 0.38 -1.07 0.24 1.33 3.38 -0.50 0.11 115.31 119.17 1wwv h LEU 66 Ca 0.19 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1wwv h LEU 66 Cb 0.14 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wwv h LEU 66 CO -0.17 -0.38 -0.12 0.40 0.09 0.00 0.00 178.44 178.27 1wwv h ILE 67 N -0.43 0.00 -0.86 1.22 2.04 -1.17 -3.26 117.51 115.05 1wwv h ILE 67 Ca 0.09 -0.22 0.29 0.00 1.00 0.00 0.00 64.86 66.02 1wwv h ILE 67 Cb 0.57 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.49 1wwv h ILE 67 CO -0.36 0.00 0.20 0.18 0.00 0.00 0.00 178.15 178.17 1wwv n LEU 68 N -3.48 0.06 -0.06 1.44 4.77 0.14 0.32 117.00 120.19 1wwv n LEU 68 Ca -0.04 1.45 -0.09 0.00 -0.03 0.00 0.00 56.01 57.30 1wwv n LEU 68 Cb 0.13 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1wwv n LEU 68 CO 0.10 -1.53 0.66 1.23 -1.33 0.00 0.00 177.39 176.52 1wwv h GLY 69 N 0.00 -0.28 1.23 -0.72 0.00 -0.82 0.55 103.07 103.03 1wwv h GLY 69 Ca 0.61 0.37 -0.09 0.00 0.00 0.00 0.00 47.33 48.22 1wwv h GLY 69 CO -0.75 -0.21 -0.00 -1.33 0.00 0.00 0.00 176.54 174.25 1wwv h GLY 70 N -0.30 1.00 1.01 4.60 0.00 -0.18 -2.95 103.07 106.25 1wwv h GLY 70 Ca 0.14 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1wwv h GLY 70 CO -0.43 0.65 0.58 -2.08 0.00 0.00 0.00 176.54 175.26 1wwv h VAL 71 N 0.86 1.24 -0.75 4.60 2.07 -0.56 -2.11 116.25 121.60 1wwv h VAL 71 Ca 0.16 -0.46 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1wwv h VAL 71 Cb 0.51 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 1wwv h VAL 71 CO 0.03 0.23 0.44 -0.33 0.02 0.00 0.00 177.57 177.95 1wwv h GLU 72 N 1.22 0.76 -0.55 1.57 5.08 -0.74 -0.85 114.58 121.07 1wwv h GLU 72 Ca 0.33 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1wwv h GLU 72 Cb -0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1wwv h GLU 72 CO -0.07 0.51 -0.03 1.96 -1.00 0.00 0.00 179.01 180.38 1wwv h GLN 73 N 0.79 0.99 0.52 2.33 4.20 -1.41 -3.22 115.11 119.32 1wwv h GLN 73 Ca 0.34 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1wwv h GLN 73 Cb 0.21 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.92 1wwv h GLN 73 CO -0.19 1.01 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.66 1wwv h LEU 74 N 0.87 -0.60 -1.26 1.46 3.38 -0.72 -2.27 115.31 116.18 1wwv h LEU 74 Ca 0.15 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.49 1wwv h LEU 74 Cb 0.58 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1wwv h LEU 74 CO 0.03 -0.40 1.23 0.00 0.09 0.00 0.00 178.44 179.39 1wwv n GLN 75 N -5.38 0.01 0.00 1.13 6.02 -0.39 -0.53 117.38 118.24 1wwv n GLN 75 Ca -0.12 1.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1wwv n GLN 75 Cb 0.30 -2.42 -0.00 0.00 1.02 0.00 0.00 30.24 29.13 1wwv n GLN 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wwv h ALA 76 N 0.63 -0.10 -0.97 -1.58 0.00 -1.48 -2.59 119.26 113.17 1wwv h ALA 76 Ca 0.60 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.73 1wwv h ALA 76 Cb 3.06 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 20.73 1wwv h ALA 76 CO -0.01 -0.09 0.54 1.37 0.00 0.00 0.00 179.25 181.06 1wwv h LEU 77 N -0.07 0.60 0.00 0.00 8.10 -1.02 -2.05 115.31 120.88 1wwv h LEU 77 Ca -0.00 0.13 0.00 0.00 0.11 0.00 0.00 57.88 58.12 1wwv h LEU 77 Cb 0.01 0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.27 1wwv h LEU 77 CO 0.00 0.12 0.00 -0.24 -4.11 0.00 0.00 178.44 174.21 1wwv n SER 78 N -4.90 0.00 -0.31 0.17 2.88 0.31 -3.66 113.62 108.12 1wwv n SER 78 Ca 0.24 0.86 -0.08 0.00 -1.33 0.00 0.00 58.87 58.57 1wwv n SER 78 Cb 0.67 -0.46 -0.07 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.87 -0.78 -4.35 -3.46 2.88 -0.98 -4.00 113.62 101.06 1wwv n SER 79 Ca 0.00 1.36 -0.35 0.00 -1.33 0.00 0.00 58.87 58.56 1wwv n SER 79 Cb 0.00 -0.19 -0.14 0.00 -0.75 0.00 0.00 64.21 63.13 1wwv n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wwv s ARG 80 N -5.24 3.44 -0.18 -1.46 1.70 -0.79 -5.10 118.95 111.32 1wwv s ARG 80 Ca -0.09 -0.61 -0.02 0.00 -0.47 0.00 0.00 55.73 54.54 1wwv s ARG 80 Cb 0.08 -2.96 -0.01 0.00 -0.57 0.00 0.00 34.95 31.49 1wwv s ARG 80 CO 0.46 -0.07 -0.09 -0.51 -1.08 0.00 0.00 175.30 174.00 1wwv s LEU 81 N 1.16 2.78 -0.48 -1.89 1.43 -1.24 -4.35 118.68 116.10 1wwv s LEU 81 Ca 0.02 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1wwv s LEU 81 Cb -0.14 -1.67 0.49 0.00 0.03 0.00 0.00 46.19 44.90 1wwv s LEU 81 CO -0.01 0.06 1.70 0.00 0.23 0.00 0.00 176.35 178.34 1wwv n GLN 82 N 4.23 2.71 -4.37 1.70 1.13 -1.26 -4.91 117.38 116.61 1wwv n GLN 82 Ca -0.18 -3.46 -0.39 0.00 -1.94 0.00 0.00 57.00 51.02 1wwv n GLN 82 Cb 0.52 -2.19 -0.05 0.00 0.11 0.00 0.00 30.24 28.62 1wwv n GLN 82 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1wwv n THR 83 N -0.93 -0.63 -3.06 5.09 -2.24 -1.26 -4.92 114.28 106.32 1wwv n THR 83 Ca 0.52 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 62.07 1wwv n THR 83 Cb 0.94 -1.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1wwv n THR 83 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1wwv s GLU 84 N -7.09 2.53 -0.13 -0.78 -1.05 -1.26 -4.92 118.70 106.00 1wwv s GLU 84 Ca 0.72 -1.48 -0.00 0.00 -0.15 0.00 0.00 54.97 54.06 1wwv s GLU 84 Cb -0.41 -2.68 0.03 0.00 -0.44 0.00 0.00 34.13 30.64 1wwv s GLU 84 CO 0.98 -0.59 -0.08 1.21 0.95 0.00 0.00 175.26 177.73 1wwv s ASN 85 N -4.51 2.42 -0.16 0.83 2.47 -1.26 -4.51 114.94 110.22 1wwv s ASN 85 Ca 0.58 -0.42 0.02 0.00 0.42 0.00 0.00 52.86 53.45 1wwv s ASN 85 Cb -0.07 -0.90 0.01 0.00 -1.45 0.00 0.00 41.25 38.84 1wwv s ASN 85 CO 0.36 -0.13 -0.20 -0.94 -3.72 0.00 0.00 177.10 172.46 1wwv s SER 86 N 1.66 3.19 0.00 -4.21 1.04 -1.26 -5.03 113.70 109.10 1wwv s SER 86 Ca 0.04 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1wwv s SER 86 Cb -0.13 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.51 1wwv s SER 86 CO -0.08 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1wwv n GLY 87 N 4.25 -1.83 0.13 7.32 0.00 -1.26 -5.01 105.19 108.79 1wwv n GLY 87 Ca -0.20 0.98 0.12 0.00 0.00 0.00 0.00 46.02 46.91 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 0.00 0.19 -3.71 1.61 -0.04 -1.26 -4.06 135.00 127.73 1wwv n PRO 88 Ca 0.00 0.43 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 1wwv n PRO 88 Cb 0.00 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.50 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 -4.24 5.60 0.26 3.54 0.01 -1.26 -4.94 113.70 112.66 1wwv s SER 89 Ca 0.04 -3.63 -0.10 0.00 1.31 0.00 0.00 55.95 53.57 1wwv s SER 89 Cb 0.09 -1.83 0.39 0.00 0.21 0.00 0.00 66.02 64.88 1wwv s SER 89 CO 0.39 -0.18 1.57 0.77 0.41 0.00 0.00 173.24 176.20 1wwv h SER 90 N 6.01 -0.90 -0.02 2.44 4.64 -2.02 -3.55 113.55 120.14 1wwv h SER 90 Ca 0.13 0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1wwv h SER 90 Cb 0.82 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1wwv h SER 90 CO 0.80 -0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.07