#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 -1.65 -4.53 1.61 2.88 -1.26 -4.91 113.62 105.75 1wwv n SER 2 Ca 0.00 -1.11 -0.35 0.00 -1.33 0.00 0.00 58.87 56.08 1wwv n SER 2 Cb 0.00 -2.33 -0.11 0.00 -0.75 0.00 0.00 64.21 61.01 1wwv n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wwv s SER 3 N -3.68 5.22 0.90 -3.46 0.01 -1.26 -5.01 113.70 106.43 1wwv s SER 3 Ca 0.50 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1wwv s SER 3 Cb -0.28 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1wwv s SER 3 CO 0.96 0.10 0.00 0.61 0.41 0.00 0.00 173.24 175.32 1wwv n GLY 4 N 4.03 1.69 3.64 3.44 0.00 -1.26 -4.66 105.19 112.06 1wwv n GLY 4 Ca -0.17 -0.51 -0.47 0.00 0.00 0.00 0.00 46.02 44.87 1wwv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwv n SER 5 N -1.71 2.40 -3.71 1.61 2.88 -1.26 -4.59 113.62 109.25 1wwv n SER 5 Ca 0.00 1.12 -0.11 0.00 -1.33 0.00 0.00 58.87 58.55 1wwv n SER 5 Cb 0.00 -1.35 -0.11 0.00 -0.75 0.00 0.00 64.21 62.00 1wwv n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wwv s SER 6 N 0.45 -0.44 0.00 -3.46 1.04 -1.25 -5.03 113.70 105.01 1wwv s SER 6 Ca 0.75 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1wwv s SER 6 Cb -0.75 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1wwv s SER 6 CO 0.46 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1wwv n GLY 7 N 4.17 3.73 3.64 7.32 0.00 -1.26 -4.44 105.19 118.35 1wwv n GLY 7 Ca -0.23 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 1wwv n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wwv s MET 8 N 1.87 0.59 0.69 1.61 0.00 -1.26 -5.04 119.30 117.76 1wwv s MET 8 Ca 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 55.69 56.26 1wwv s MET 8 Cb 0.00 0.27 0.02 0.00 0.00 0.00 0.00 34.83 35.12 1wwv s MET 8 CO 0.00 -0.08 1.20 -1.21 0.00 0.00 0.00 175.02 174.94 1wwv s GLU 9 N 0.39 2.41 0.04 3.16 0.41 -1.26 -4.94 118.70 118.92 1wwv s GLU 9 Ca 0.01 1.75 -0.31 0.00 -0.41 0.00 0.00 54.97 56.01 1wwv s GLU 9 Cb -0.05 -1.87 -0.06 0.00 -1.78 0.00 0.00 34.13 30.37 1wwv s GLU 9 CO -0.05 -1.62 1.42 -1.25 -0.49 0.00 0.00 175.26 173.26 1wwv s PRO 10 N -3.78 4.29 0.56 0.39 0.04 -1.26 -4.89 135.00 130.34 1wwv s PRO 10 Ca 0.75 2.03 0.28 0.00 0.04 0.00 0.00 61.00 64.09 1wwv s PRO 10 Cb -0.29 -3.47 1.47 0.00 0.04 0.00 0.00 34.50 32.25 1wwv s PRO 10 CO 0.42 -0.54 1.96 0.28 0.04 0.00 0.00 177.00 179.16 1wwv h VAL 11 N 4.70 0.55 0.00 -0.36 2.07 -1.92 0.27 116.25 121.56 1wwv h VAL 11 Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1wwv h VAL 11 Cb 1.19 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1wwv h VAL 11 CO 0.89 0.00 0.00 1.05 0.02 0.00 0.00 177.57 179.53 1wwv h GLU 12 N 0.00 0.00 0.00 1.57 4.11 -1.90 -2.01 114.58 116.35 1wwv h GLU 12 Ca 0.24 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.57 1wwv h GLU 12 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1wwv h GLU 12 CO -0.00 0.00 -1.64 0.25 0.07 0.00 0.00 179.01 177.69 1wwv n THR 13 N -2.82 0.38 -1.14 -1.06 -2.24 0.90 -0.55 114.28 107.75 1wwv n THR 13 Ca -0.02 -0.36 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 1wwv n THR 13 Cb 0.06 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.16 -1.05 -1.80 4.78 7.02 -0.76 -4.64 117.44 118.84 1wwv n TRP 14 Ca -0.10 0.68 -0.33 0.00 -1.02 0.00 0.00 57.50 56.74 1wwv n TRP 14 Cb 0.58 -1.58 0.04 0.00 -2.42 0.00 0.00 31.31 27.93 1wwv n TRP 14 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1wwv s THR 15 N -1.11 3.49 -2.00 -0.99 -4.23 -1.26 -0.39 115.64 109.15 1wwv s THR 15 Ca 0.52 0.66 0.09 0.00 -1.18 0.00 0.00 61.69 61.79 1wwv s THR 15 Cb -0.67 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.24 1wwv s THR 15 CO 0.50 -0.46 1.01 -0.81 -0.54 0.00 0.00 174.62 174.32 1wwv n PRO 16 N -2.43 0.49 0.00 3.99 -0.04 -1.26 -2.06 135.00 133.69 1wwv n PRO 16 Ca 0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1wwv n PRO 16 Cb 0.52 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.08 0.13 0.55 0.00 -1.26 -4.06 105.19 100.45 1wwv n GLY 17 Ca 0.07 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.23 0.70 -0.32 1.61 5.02 -0.87 -4.32 118.16 118.74 1wwv n LYS 18 Ca 0.02 0.23 0.23 0.00 -2.02 0.00 0.00 58.31 56.78 1wwv n LYS 18 Cb 0.18 -1.63 0.45 0.00 -0.02 0.00 0.00 35.03 34.01 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 -0.06 0.11 -0.99 -0.18 2.07 -1.80 0.59 116.25 115.99 1wwv h VAL 19 Ca -0.49 -0.03 0.31 0.00 0.82 0.00 0.00 66.70 67.30 1wwv h VAL 19 Cb 1.93 0.01 -0.15 0.00 -1.52 0.00 0.00 31.29 31.56 1wwv h VAL 19 CO -0.02 0.02 0.53 0.00 0.02 0.00 0.00 177.57 178.12 1wwv h ALA 20 N 1.93 1.86 -0.49 1.67 0.00 -1.79 0.67 119.26 123.11 1wwv h ALA 20 Ca 0.72 0.19 -0.11 0.00 0.00 0.00 0.00 54.91 55.71 1wwv h ALA 20 Cb 1.71 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 1wwv h ALA 20 CO -0.76 -0.55 -0.12 1.15 0.00 0.00 0.00 179.25 178.98 1wwv h THR 21 N 0.32 1.27 0.00 0.00 2.02 -0.07 0.13 112.91 116.58 1wwv h THR 21 Ca 0.71 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 1wwv h THR 21 Cb 1.59 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1wwv h THR 21 CO -0.61 0.44 -0.23 -0.25 0.37 0.00 0.00 175.52 175.24 1wwv h TRP 22 N 0.80 0.00 0.06 3.16 7.01 -0.11 -2.58 115.95 124.29 1wwv h TRP 22 Ca 0.12 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.98 1wwv h TRP 22 Cb 0.68 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1wwv h TRP 22 CO 0.05 0.23 -0.73 -0.07 -2.79 0.00 0.00 178.44 175.13 1wwv h LEU 23 N 0.00 0.19 -1.61 0.65 3.38 0.31 -3.06 115.31 115.17 1wwv h LEU 23 Ca -0.00 -0.87 -0.04 0.00 0.09 0.00 0.00 57.88 57.06 1wwv h LEU 23 Cb 0.96 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1wwv h LEU 23 CO 0.03 1.32 -0.20 0.08 0.09 0.00 0.00 178.44 179.75 1wwv h ARG 24 N -0.70 0.00 -0.02 1.13 -0.00 -0.81 -2.67 114.38 111.30 1wwv h ARG 24 Ca -0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.60 1wwv h ARG 24 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.35 1wwv h ARG 24 CO 0.01 0.20 -0.90 0.78 -0.00 0.00 0.00 179.97 180.06 1wwv h GLY 25 N 0.65 0.49 -0.60 0.08 0.00 -1.57 -3.35 103.07 98.77 1wwv h GLY 25 Ca -0.00 -0.82 0.05 0.00 0.00 0.00 0.00 47.33 46.56 1wwv h GLY 25 CO 0.03 0.73 -0.36 1.04 0.00 0.00 0.00 176.54 177.98 1wwv n LEU 26 N -3.78 -0.64 -3.97 3.11 4.77 -1.01 -4.70 117.00 110.79 1wwv n LEU 26 Ca -0.06 1.41 -0.08 0.00 -0.03 0.00 0.00 56.01 57.24 1wwv n LEU 26 Cb 0.81 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 1wwv n LEU 26 CO 0.51 -1.04 -0.24 -0.62 -1.33 0.00 0.00 177.39 174.66 1wwv s ASP 27 N -4.59 0.28 0.25 -1.43 -1.08 -1.26 -5.04 116.67 103.81 1wwv s ASP 27 Ca -0.07 -0.73 0.25 0.00 -0.52 0.00 0.00 52.55 51.48 1wwv s ASP 27 Cb 0.07 0.24 0.66 0.00 -1.46 0.00 0.00 42.92 42.43 1wwv s ASP 27 CO 0.37 -0.59 1.70 -0.78 0.52 0.00 0.00 175.17 176.39 1wwv h ASP 28 N 3.28 0.00 0.82 -0.34 1.82 -1.84 -3.06 116.42 117.11 1wwv h ASP 28 Ca -0.33 -0.02 -0.24 0.00 -0.39 0.00 0.00 57.03 56.05 1wwv h ASP 28 Cb 1.17 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.16 1wwv h ASP 28 CO 0.57 0.01 -1.18 0.28 -1.61 0.00 0.00 179.24 177.31 1wwv h SER 29 N 0.00 0.11 1.41 2.28 0.02 -1.96 -3.29 113.55 112.13 1wwv h SER 29 Ca 0.00 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 1wwv h SER 29 Cb 0.80 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1wwv h SER 29 CO 0.00 1.10 -0.60 -0.07 -1.14 0.00 0.00 176.83 176.12 1wwv h LEU 30 N 0.02 0.00 -1.85 5.07 3.38 -1.92 -3.28 115.31 116.73 1wwv h LEU 30 Ca -0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1wwv h LEU 30 Cb 1.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1wwv h LEU 30 CO 0.14 0.39 0.46 0.06 0.09 0.00 0.00 178.44 179.57 1wwv h GLN 31 N 0.00 0.00 -0.74 1.13 3.07 -1.60 0.16 115.11 117.14 1wwv h GLN 31 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.68 1wwv h GLN 31 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.85 1wwv h GLN 31 CO 0.05 0.00 0.34 -0.44 0.09 0.00 0.00 178.83 178.86 1wwv h ASP 32 N 0.00 0.96 -3.93 0.06 3.32 -1.76 -3.43 116.42 111.64 1wwv h ASP 32 Ca 0.11 -0.12 -0.53 0.00 0.02 0.00 0.00 57.03 56.51 1wwv h ASP 32 Cb 1.02 -0.25 0.09 0.00 0.22 0.00 0.00 39.33 40.42 1wwv h ASP 32 CO -0.00 0.83 0.72 -0.31 -1.72 0.00 0.00 179.24 178.75 1wwv s TYR 33 N -5.57 2.73 -1.19 4.55 2.02 0.56 -4.86 117.35 115.59 1wwv s TYR 33 Ca -0.11 1.27 -0.23 0.00 -0.37 0.00 0.00 57.07 57.63 1wwv s TYR 33 Cb 0.16 -3.89 -0.09 0.00 -0.40 0.00 0.00 41.96 37.75 1wwv s TYR 33 CO 0.81 -2.58 1.93 -1.25 -1.57 0.00 0.00 175.55 172.90 1wwv s PRO 34 N -2.05 2.50 0.29 -1.71 0.04 -1.26 -4.71 135.00 128.10 1wwv s PRO 34 Ca 0.53 -1.18 0.25 0.00 0.04 0.00 0.00 61.00 60.64 1wwv s PRO 34 Cb -0.44 -5.25 1.00 0.00 0.04 0.00 0.00 34.50 29.86 1wwv s PRO 34 CO 0.58 -3.99 1.75 0.74 0.04 0.00 0.00 177.00 176.12 1wwv h PHE 35 N 9.71 0.00 0.00 0.56 0.04 -1.89 -2.33 116.94 123.03 1wwv h PHE 35 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 1wwv h PHE 35 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1wwv h PHE 35 CO 1.21 0.00 -0.39 0.39 -0.60 0.00 0.00 178.31 178.92 1wwv n GLU 36 N -2.35 0.22 -0.38 1.51 1.02 -1.26 -3.68 120.64 115.72 1wwv n GLU 36 Ca 0.02 0.10 0.07 0.00 -0.02 0.00 0.00 57.16 57.34 1wwv n GLU 36 Cb 0.27 -1.68 0.18 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.02 2.13 -0.01 1.62 -0.08 -0.89 -4.64 116.55 112.67 1wwv n ASP 37 Ca 0.04 -3.51 -0.13 0.00 -1.51 0.00 0.00 54.79 49.69 1wwv n ASP 37 Cb 0.41 -0.49 -0.14 0.00 2.34 0.00 0.00 41.12 43.24 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 0.61 0.16 -6.15 -0.67 4.06 -1.60 -3.49 115.95 108.86 1wwv h TRP 38 Ca 0.01 -0.12 -0.43 0.00 2.06 0.00 0.00 58.89 60.41 1wwv h TRP 38 Cb 1.06 -0.01 0.03 0.00 -1.00 0.00 0.00 29.16 29.25 1wwv h TRP 38 CO 0.44 1.25 -0.83 1.04 -3.56 0.00 0.00 178.44 176.78 1wwv n GLN 39 N -3.19 -4.81 -3.90 0.49 6.02 -1.26 -4.96 117.38 105.76 1wwv n GLN 39 Ca -0.21 0.60 -0.35 0.00 -0.01 0.00 0.00 57.00 57.02 1wwv n GLN 39 Cb 1.05 -5.15 -0.14 0.00 1.02 0.00 0.00 30.24 27.03 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 -6.77 3.81 0.56 1.08 2.96 -1.26 -5.02 118.68 114.05 1wwv s LEU 40 Ca 0.08 -1.18 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 1wwv s LEU 40 Cb -0.04 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 1wwv s LEU 40 CO 0.82 -0.24 1.13 -2.16 -1.32 0.00 0.00 176.35 174.58 1wwv s PRO 41 N 1.29 3.26 0.16 0.98 0.04 -1.26 -4.19 135.00 135.28 1wwv s PRO 41 Ca -0.04 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 62.33 1wwv s PRO 41 Cb -0.19 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1wwv s PRO 41 CO -0.01 -0.92 1.59 0.78 0.04 0.00 0.00 177.00 178.48 1wwv h GLY 42 N 0.99 -0.33 -0.85 0.56 0.00 -0.86 -0.11 103.07 102.46 1wwv h GLY 42 Ca -0.49 0.45 0.32 0.00 0.00 0.00 0.00 47.33 47.61 1wwv h GLY 42 CO 0.56 -0.20 0.32 0.58 0.00 0.00 0.00 176.54 177.81 1wwv n LYS 43 N -5.42 -0.06 0.09 4.80 2.85 0.29 0.23 118.16 120.94 1wwv n LYS 43 Ca 0.01 1.20 -0.17 0.00 -1.05 0.00 0.00 58.31 58.30 1wwv n LYS 43 Cb 0.34 -2.08 -0.10 0.00 -0.65 0.00 0.00 35.03 32.55 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 0.61 -0.68 -5.58 4.21 -1.32 -3.07 115.58 109.75 1wwv h ASN 44 Ca 0.66 -0.56 0.14 0.00 1.21 0.00 0.00 56.30 57.75 1wwv h ASN 44 Cb 1.65 -0.19 -0.13 0.00 -1.12 0.00 0.00 38.32 38.53 1wwv h ASN 44 CO -0.70 1.38 -0.16 0.25 -1.29 0.00 0.00 177.43 176.92 1wwv h LEU 45 N 0.20 -0.62 -0.64 1.61 5.85 0.37 1.34 115.31 123.42 1wwv h LEU 45 Ca -0.13 0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1wwv h LEU 45 Cb 1.80 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 43.22 1wwv h LEU 45 CO 0.20 -0.22 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.38 1wwv h LEU 46 N 0.00 0.00 -3.69 2.25 3.38 -1.55 -3.00 115.31 112.70 1wwv h LEU 46 Ca 0.33 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.12 1wwv h LEU 46 Cb 0.51 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 1wwv h LEU 46 CO -0.70 0.63 0.23 0.00 0.09 0.00 0.00 178.44 178.70 1wwv n GLN 47 N -3.66 3.94 -0.75 1.13 1.13 0.93 -4.98 117.38 115.12 1wwv n GLN 47 Ca -0.01 -3.07 -0.24 0.00 -1.94 0.00 0.00 57.00 51.74 1wwv n GLN 47 Cb 0.65 -2.23 0.20 0.00 0.11 0.00 0.00 30.24 28.98 1wwv n GLN 47 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wwv n LEU 48 N -0.00 0.00 -3.48 1.08 4.77 0.42 -4.93 117.00 114.86 1wwv n LEU 48 Ca 0.39 -0.90 -0.11 0.00 -0.03 0.00 0.00 56.01 55.36 1wwv n LEU 48 Cb 1.36 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1wwv n LEU 48 CO 0.42 -2.01 0.48 0.00 -1.33 0.00 0.00 177.39 174.95 1wwv h PRO 50 N 2.00 0.00 0.13 0.00 0.13 -1.98 -1.75 132.00 130.53 1wwv h PRO 50 Ca -0.30 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.47 1wwv h PRO 50 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1wwv h PRO 50 CO 0.35 0.08 -1.96 1.96 -0.23 0.00 0.00 178.00 178.20 1wwv h GLN 51 N 0.00 0.27 -0.45 0.86 1.08 -1.98 -3.36 115.11 111.53 1wwv h GLN 51 Ca -0.00 -0.47 -0.14 0.00 -1.45 0.00 0.00 58.65 56.59 1wwv h GLN 51 Cb 0.55 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 1wwv h GLN 51 CO 0.01 1.22 -0.25 0.77 -0.95 0.00 0.00 178.83 179.63 1wwv h SER 52 N 0.06 0.97 -0.93 1.46 0.02 -1.94 -2.99 113.55 110.20 1wwv h SER 52 Ca -0.42 -0.38 0.16 0.00 -0.84 0.00 0.00 61.79 60.31 1wwv h SER 52 Cb 2.03 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 64.22 1wwv h SER 52 CO 0.09 1.17 0.59 -0.07 -1.14 0.00 0.00 176.83 177.47 1wwv h LEU 53 N 0.81 0.68 -1.53 5.07 3.38 -1.49 0.49 115.31 122.71 1wwv h LEU 53 Ca 0.10 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.34 1wwv h LEU 53 Cb 0.82 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1wwv h LEU 53 CO 0.07 0.31 0.61 -0.33 0.09 0.00 0.00 178.44 179.20 1wwv h GLU 54 N 0.70 0.36 -0.27 1.13 5.08 -1.67 0.30 114.58 120.21 1wwv h GLU 54 Ca 0.48 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1wwv h GLU 54 Cb 0.80 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1wwv h GLU 54 CO -0.24 0.24 0.18 0.00 -1.00 0.00 0.00 179.01 178.19 1wwv h ALA 55 N 1.61 1.95 -0.16 3.43 0.00 -1.04 0.11 119.26 125.15 1wwv h ALA 55 Ca 0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 1wwv h ALA 55 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wwv h ALA 55 CO -0.18 0.01 0.01 1.28 0.00 0.00 0.00 179.25 180.37 1wwv n LEU 56 N -4.49 2.37 -1.23 0.00 4.77 0.10 -4.82 117.00 113.70 1wwv n LEU 56 Ca 0.02 -1.20 -0.12 0.00 -0.03 0.00 0.00 56.01 54.68 1wwv n LEU 56 Cb 0.16 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1wwv n LEU 56 CO 0.35 0.36 -0.14 0.00 -1.33 0.00 0.00 177.39 176.63 1wwv n ALA 57 N 0.17 -0.30 -2.02 -1.18 0.00 0.02 -4.92 120.51 112.28 1wwv n ALA 57 Ca 0.08 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.34 1wwv n ALA 57 Cb 0.52 -1.48 0.03 0.00 0.00 0.00 0.00 19.45 18.52 1wwv n ALA 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wwv n VAL 58 N -3.45 3.01 0.15 0.00 0.31 -1.15 -4.74 118.33 112.45 1wwv n VAL 58 Ca -0.14 -4.26 0.07 0.00 -0.01 0.00 0.00 64.34 60.00 1wwv n VAL 58 Cb 0.53 -1.22 0.55 0.00 -0.91 0.00 0.00 33.84 32.80 1wwv n VAL 58 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wwv h ARG 59 N 2.54 0.22 -5.88 5.55 3.08 -1.81 -3.38 114.38 114.71 1wwv h ARG 59 Ca 0.45 -0.01 -0.65 0.00 0.07 0.00 0.00 59.98 59.84 1wwv h ARG 59 Cb 0.72 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1wwv h ARG 59 CO 1.15 0.15 1.46 -1.13 -1.07 0.00 0.00 179.97 180.52 1wwv n SER 60 N -4.51 1.88 -0.26 7.04 3.41 -1.26 -4.81 113.62 115.11 1wwv n SER 60 Ca -0.00 0.34 -0.04 0.00 -0.26 0.00 0.00 58.87 58.91 1wwv n SER 60 Cb 0.09 -1.23 0.08 0.00 -0.26 0.00 0.00 64.21 62.88 1wwv n SER 60 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1wwv h LEU 61 N 12.66 0.78 -0.21 1.04 7.12 -1.99 -2.50 115.31 132.22 1wwv h LEU 61 Ca -0.24 -0.01 0.05 0.00 0.13 0.00 0.00 57.88 57.82 1wwv h LEU 61 Cb 1.32 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 41.22 1wwv h LEU 61 CO 1.07 0.55 -0.12 1.23 -0.13 0.00 0.00 178.44 181.03 1wwv h GLY 62 N 0.92 0.05 0.97 3.75 0.00 -1.96 -1.69 103.07 105.10 1wwv h GLY 62 Ca 0.28 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.81 1wwv h GLY 62 CO -0.09 -0.14 0.59 0.45 0.00 0.00 0.00 176.54 177.35 1wwv h HIS 63 N -0.11 1.09 -0.61 5.60 3.86 -1.88 -1.46 115.15 121.63 1wwv h HIS 63 Ca 0.12 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1wwv h HIS 63 Cb 0.28 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 1wwv h HIS 63 CO -0.28 0.62 0.41 1.96 0.86 0.00 0.00 177.93 181.50 1wwv h GLN 64 N 1.11 0.77 -0.05 2.45 4.20 -0.89 -1.34 115.11 121.37 1wwv h GLN 64 Ca 0.36 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.91 1wwv h GLN 64 Cb 0.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1wwv h GLN 64 CO -0.11 0.51 -0.50 0.93 -0.67 0.00 0.00 178.83 178.99 1wwv h GLU 65 N 0.79 0.12 0.00 1.46 4.39 -0.65 0.99 114.58 121.68 1wwv h GLU 65 Ca 0.23 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 1wwv h GLU 65 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1wwv h GLU 65 CO -0.06 0.59 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.87 1wwv h LEU 66 N 0.10 0.00 0.00 1.33 3.38 -0.93 -2.38 115.31 116.80 1wwv h LEU 66 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1wwv h LEU 66 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1wwv h LEU 66 CO 0.07 0.45 -0.67 -0.38 0.09 0.00 0.00 178.44 178.00 1wwv n ILE 67 N -3.97 1.44 -0.33 1.22 5.41 -1.00 -4.24 119.36 117.89 1wwv n ILE 67 Ca -0.02 0.17 0.18 0.00 1.00 0.00 0.00 62.75 64.08 1wwv n ILE 67 Cb 0.48 -2.32 0.39 0.00 -0.71 0.00 0.00 39.64 37.47 1wwv n ILE 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1wwv h LEU 68 N -1.00 0.48 -1.93 1.39 3.38 -0.92 0.57 115.31 117.28 1wwv h LEU 68 Ca -0.07 0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.23 1wwv h LEU 68 Cb 0.67 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1wwv h LEU 68 CO -0.04 -0.02 0.44 1.23 0.09 0.00 0.00 178.44 180.13 1wwv h GLY 69 N 0.42 0.12 0.81 0.83 0.00 -1.61 -0.34 103.07 103.29 1wwv h GLY 69 Ca 0.65 -0.03 -0.10 0.00 0.00 0.00 0.00 47.33 47.85 1wwv h GLY 69 CO -0.55 0.01 -1.40 0.61 0.00 0.00 0.00 176.54 175.21 1wwv n GLY 70 N -1.63 -1.25 0.08 4.60 0.00 0.19 -4.29 105.19 102.89 1wwv n GLY 70 Ca 0.12 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1wwv n GLY 70 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wwv h VAL 71 N 0.00 1.40 -0.92 1.61 2.07 -0.21 -3.05 116.25 117.15 1wwv h VAL 71 Ca -0.11 -1.30 0.27 0.00 0.82 0.00 0.00 66.70 66.38 1wwv h VAL 71 Cb 1.35 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.25 1wwv h VAL 71 CO 0.02 0.35 0.70 1.05 0.02 0.00 0.00 177.57 179.71 1wwv h GLU 72 N -0.37 0.00 0.01 1.57 4.11 -1.51 0.65 114.58 119.04 1wwv h GLU 72 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.25 1wwv h GLU 72 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1wwv h GLU 72 CO 0.01 0.00 -0.87 1.96 0.07 0.00 0.00 179.01 180.19 1wwv h GLN 73 N 0.00 0.08 0.17 1.06 4.20 -1.72 -3.33 115.11 115.57 1wwv h GLN 73 Ca 0.44 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 1wwv h GLN 73 Cb 1.83 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.64 1wwv h GLN 73 CO -0.00 0.89 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.90 1wwv h LEU 74 N 0.04 -0.19 -1.00 1.46 3.38 0.36 -3.06 115.31 116.29 1wwv h LEU 74 Ca -0.03 -0.33 0.26 0.00 0.09 0.00 0.00 57.88 57.87 1wwv h LEU 74 Cb 1.51 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.27 1wwv h LEU 74 CO 0.12 0.29 1.15 1.56 0.09 0.00 0.00 178.44 181.66 1wwv h GLN 75 N -0.75 0.00 0.01 1.13 4.20 -1.48 0.26 115.11 118.49 1wwv h GLN 75 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wwv h GLN 75 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1wwv h GLN 75 CO 0.04 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.19 1wwv h ALA 76 N 0.53 -0.15 -0.84 3.87 0.00 -1.66 -3.12 119.26 117.90 1wwv h ALA 76 Ca 0.42 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1wwv h ALA 76 Cb 2.73 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.45 1wwv h ALA 76 CO -0.00 -0.15 0.48 1.37 0.00 0.00 0.00 179.25 180.95 1wwv h LEU 77 N -0.08 0.69 -1.41 0.00 8.10 -1.17 -0.47 115.31 120.97 1wwv h LEU 77 Ca -0.00 0.05 0.14 0.00 0.11 0.00 0.00 57.88 58.17 1wwv h LEU 77 Cb 0.01 -0.08 -0.06 0.00 -0.44 0.00 0.00 40.66 40.09 1wwv h LEU 77 CO 0.00 0.39 0.54 -1.28 -4.11 0.00 0.00 178.44 173.98 1wwv h SER 78 N 0.80 0.56 -0.85 0.17 0.87 -0.72 0.66 113.55 115.04 1wwv h SER 78 Ca 0.41 0.03 -0.45 0.00 -1.23 0.00 0.00 61.79 60.54 1wwv h SER 78 Cb 0.38 -0.08 -0.27 0.00 -0.44 0.00 0.00 62.40 61.99 1wwv h SER 78 CO -0.25 0.29 0.49 -1.20 -0.53 0.00 0.00 176.83 175.63 1wwv n SER 79 N -4.52 3.63 -4.28 6.23 7.64 -0.23 -4.74 113.62 117.35 1wwv n SER 79 Ca 0.15 -3.66 -0.30 0.00 1.01 0.00 0.00 58.87 56.07 1wwv n SER 79 Cb 0.46 -0.80 -0.16 0.00 -1.01 0.00 0.00 64.21 62.71 1wwv n SER 79 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wwv s ARG 80 N -3.31 2.02 -0.63 1.43 3.52 0.22 -5.00 118.95 117.20 1wwv s ARG 80 Ca 0.55 -0.87 -0.33 0.00 -0.13 0.00 0.00 55.73 54.95 1wwv s ARG 80 Cb 0.46 -1.93 -0.15 0.00 -1.56 0.00 0.00 34.95 31.77 1wwv s ARG 80 CO 0.08 0.51 2.42 -0.11 -0.81 0.00 0.00 175.30 177.39 1wwv n LEU 81 N 2.52 1.35 -4.43 -0.88 0.00 -1.26 -4.80 117.00 109.50 1wwv n LEU 81 Ca -0.16 0.14 -0.47 0.00 0.00 0.00 0.00 56.01 55.52 1wwv n LEU 81 Cb 0.52 -1.17 -0.03 0.00 0.00 0.00 0.00 43.42 42.74 1wwv n LEU 81 CO 0.23 -0.93 0.07 0.00 0.00 0.00 0.00 177.39 176.76 1wwv n GLN 82 N 8.42 0.21 -1.78 1.96 0.00 -1.26 -4.81 117.38 120.11 1wwv n GLN 82 Ca 0.51 0.07 -0.41 0.00 0.00 0.00 0.00 57.00 57.17 1wwv n GLN 82 Cb 0.20 -1.13 -0.01 0.00 0.00 0.00 0.00 30.24 29.30 1wwv n GLN 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1wwv s THR 83 N -1.03 2.05 -0.20 -0.39 2.01 -1.26 -4.94 115.64 111.88 1wwv s THR 83 Ca 0.63 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.56 1wwv s THR 83 Cb -0.89 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.51 1wwv s THR 83 CO 0.57 0.01 -0.28 -0.62 -0.69 0.00 0.00 174.62 173.61 1wwv n GLU 84 N 1.37 0.45 -3.73 4.92 -0.58 -1.26 -4.38 120.64 117.43 1wwv n GLU 84 Ca 0.05 0.19 -0.20 0.00 -0.42 0.00 0.00 57.16 56.78 1wwv n GLU 84 Cb 0.38 -1.26 -0.18 0.00 -0.57 0.00 0.00 31.44 29.82 1wwv n GLU 84 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1wwv s ASN 85 N -6.73 1.16 0.03 1.62 0.01 -1.26 -3.94 114.94 105.83 1wwv s ASN 85 Ca -0.29 0.02 -0.26 0.00 -0.71 0.00 0.00 52.86 51.62 1wwv s ASN 85 Cb 0.10 -0.24 -0.17 0.00 0.41 0.00 0.00 41.25 41.35 1wwv s ASN 85 CO 0.37 -0.21 1.37 0.28 -1.51 0.00 0.00 177.10 177.40 1wwv h SER 86 N 8.25 -0.31 -5.00 -1.22 0.02 -1.91 -3.50 113.55 109.87 1wwv h SER 86 Ca -0.19 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1wwv h SER 86 Cb 1.12 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1wwv h SER 86 CO 0.23 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 1wwv n GLY 87 N -0.53 2.34 0.09 -3.77 0.00 -1.26 -4.62 105.19 97.43 1wwv n GLY 87 Ca -0.10 -1.85 0.10 0.00 0.00 0.00 0.00 46.02 44.18 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 1.67 0.13 -0.13 1.61 -0.04 -1.26 -3.00 135.00 133.99 1wwv n PRO 88 Ca 0.00 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1wwv n PRO 88 Cb 0.00 -1.76 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1wwv n PRO 88 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wwv h SER 89 N 0.00 0.65 -0.97 3.54 4.64 -2.02 -3.13 113.55 116.26 1wwv h SER 89 Ca 0.00 -0.32 0.19 0.00 -0.47 0.00 0.00 61.79 61.19 1wwv h SER 89 Cb 0.32 -0.18 -0.18 0.00 -0.31 0.00 0.00 62.40 62.06 1wwv h SER 89 CO 0.00 0.81 -0.26 0.28 -0.87 0.00 0.00 176.83 176.79 1wwv h SER 90 N 0.47 -0.97 0.00 4.97 0.02 -1.79 -3.55 113.55 112.70 1wwv h SER 90 Ca 0.10 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1wwv h SER 90 Cb 0.49 0.62 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1wwv h SER 90 CO 0.02 -0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.01