#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwx n SER 2 N 0.00 0.97 -4.28 1.61 2.88 -1.26 -5.07 113.62 108.47 1wwx n SER 2 Ca 0.00 -2.21 -0.38 0.00 -1.33 0.00 0.00 58.87 54.95 1wwx n SER 2 Cb 0.00 -0.26 -0.12 0.00 -0.75 0.00 0.00 64.21 63.07 1wwx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wwx s SER 3 N -3.19 5.29 0.81 -3.46 0.01 -1.26 -5.10 113.70 106.81 1wwx s SER 3 Ca 0.24 -1.08 -0.04 0.00 1.31 0.00 0.00 55.95 56.38 1wwx s SER 3 Cb 0.37 -1.87 0.09 0.00 0.21 0.00 0.00 66.02 64.82 1wwx s SER 3 CO -0.04 -0.31 0.55 0.61 0.41 0.00 0.00 173.24 174.46 1wwx n GLY 4 N 4.82 -0.45 3.64 3.44 0.00 -1.26 -5.12 105.19 110.26 1wwx n GLY 4 Ca -0.13 -1.82 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 1wwx n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwx s SER 5 N -3.08 -0.89 -0.36 1.61 1.04 -1.26 -5.14 113.70 105.63 1wwx s SER 5 Ca 0.33 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 58.06 1wwx s SER 5 Cb -0.01 1.37 -0.00 0.00 0.10 0.00 0.00 66.02 67.47 1wwx s SER 5 CO 0.23 -0.23 0.24 -0.55 0.98 0.00 0.00 173.24 173.91 1wwx s SER 6 N 1.57 5.97 0.00 7.02 0.15 -1.26 -4.62 113.70 122.54 1wwx s SER 6 Ca -0.10 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1wwx s SER 6 Cb -0.05 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1wwx s SER 6 CO -0.19 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1wwx n GLY 7 N 5.09 -0.34 3.80 9.45 0.00 -1.26 -5.15 105.19 116.79 1wwx n GLY 7 Ca -0.12 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1wwx n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wwx s SER 8 N 0.00 4.97 -0.28 1.61 1.04 -1.26 -5.13 113.70 114.64 1wwx s SER 8 Ca 0.00 -0.67 -0.09 0.00 0.48 0.00 0.00 55.95 55.67 1wwx s SER 8 Cb 0.00 -0.79 0.13 0.00 0.10 0.00 0.00 66.02 65.46 1wwx s SER 8 CO 0.00 -0.39 0.60 -0.44 0.98 0.00 0.00 173.24 173.99 1wwx s SER 9 N -3.95 -0.98 -0.14 7.02 0.01 -1.26 -5.06 113.70 109.33 1wwx s SER 9 Ca 0.41 1.42 -0.02 0.00 1.31 0.00 0.00 55.95 59.06 1wwx s SER 9 Cb -0.04 2.11 -0.02 0.00 0.21 0.00 0.00 66.02 68.29 1wwx s SER 9 CO 0.25 -0.23 -0.07 -1.00 0.41 0.00 0.00 173.24 172.60 1wwx s HIS 10 N 2.84 2.95 0.12 2.43 3.76 -1.26 -5.03 115.29 121.10 1wwx s HIS 10 Ca -0.04 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.18 1wwx s HIS 10 Cb -0.12 -1.91 -0.08 0.00 1.11 0.00 0.00 32.58 31.58 1wwx s HIS 10 CO -0.18 -0.08 1.60 1.25 -0.85 0.00 0.00 174.74 176.48 1wwx h LEU 11 N 6.65 -1.09 -1.32 0.89 5.85 -2.01 -0.77 115.31 123.52 1wwx h LEU 11 Ca -0.30 0.13 0.43 0.00 0.84 0.00 0.00 57.88 58.98 1wwx h LEU 11 Cb 1.20 0.42 -0.14 0.00 0.37 0.00 0.00 40.66 42.51 1wwx h LEU 11 CO 0.60 -0.44 0.79 4.11 -0.34 0.00 0.00 178.44 183.16 1wwx h TRP 12 N -0.57 0.60 0.04 1.25 5.08 -1.97 0.90 115.95 121.26 1wwx h TRP 12 Ca 0.04 0.03 -0.25 0.00 1.08 0.00 0.00 58.89 59.79 1wwx h TRP 12 Cb 0.62 -0.14 0.02 0.00 -3.00 0.00 0.00 29.16 26.66 1wwx h TRP 12 CO -0.34 -0.25 -0.99 0.93 -1.28 0.00 0.00 178.44 176.51 1wwx h GLU 13 N 0.08 0.60 0.76 0.12 5.08 -1.61 -2.44 114.58 117.16 1wwx h GLU 13 Ca 0.83 -0.70 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1wwx h GLU 13 Cb 2.49 0.21 0.01 0.00 0.50 0.00 0.00 28.75 31.96 1wwx h GLU 13 CO -0.49 1.29 -0.36 0.35 -1.00 0.00 0.00 179.01 178.80 1wwx h PHE 14 N 0.21 -0.94 -0.97 4.33 3.57 0.19 0.22 116.94 123.55 1wwx h PHE 14 Ca -0.13 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.38 1wwx h PHE 14 Cb 1.67 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 40.66 1wwx h PHE 14 CO 0.12 -0.57 0.63 -0.24 -2.23 0.00 0.00 178.31 176.02 1wwx h VAL 15 N -1.07 1.16 -0.57 1.41 3.04 -1.08 -2.28 116.25 116.86 1wwx h VAL 15 Ca -0.10 -0.42 -0.02 0.00 -1.01 0.00 0.00 66.70 65.15 1wwx h VAL 15 Cb 0.79 -0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 29.88 1wwx h VAL 15 CO 0.17 0.22 0.28 -0.09 -1.01 0.00 0.00 177.57 177.14 1wwx h ARG 16 N 1.22 0.81 -0.30 4.17 2.43 -1.31 -2.97 114.38 118.43 1wwx h ARG 16 Ca 0.39 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.51 1wwx h ARG 16 Cb 0.02 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.35 1wwx h ARG 16 CO -0.13 0.66 -0.14 0.22 -1.51 0.00 0.00 179.97 179.07 1wwx h ASP 17 N 0.76 -0.47 -0.89 -3.80 1.82 -0.36 -1.44 116.42 112.05 1wwx h ASP 17 Ca 0.19 0.12 0.24 0.00 -0.39 0.00 0.00 57.03 57.19 1wwx h ASP 17 Cb 0.11 0.26 -0.15 0.00 0.68 0.00 0.00 39.33 40.24 1wwx h ASP 17 CO -0.03 -0.17 0.22 -0.07 -1.61 0.00 0.00 179.24 177.58 1wwx h LEU 18 N -0.09 -0.04 -1.35 2.28 4.07 -1.34 1.04 115.31 119.87 1wwx h LEU 18 Ca 0.16 0.21 0.06 0.00 0.08 0.00 0.00 57.88 58.39 1wwx h LEU 18 Cb 0.33 0.29 -0.05 0.00 1.08 0.00 0.00 40.66 42.31 1wwx h LEU 18 CO -0.36 -0.19 0.49 -0.07 -1.08 0.00 0.00 178.44 177.23 1wwx h LEU 19 N 0.18 0.69 -0.55 1.67 3.38 -1.28 -0.44 115.31 118.96 1wwx h LEU 19 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1wwx h LEU 19 Cb 1.16 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1wwx h LEU 19 CO -0.69 0.45 -0.45 0.18 0.09 0.00 0.00 178.44 178.02 1wwx n LEU 20 N -4.48 1.30 -3.90 1.67 4.77 0.27 -4.60 117.00 112.03 1wwx n LEU 20 Ca 0.11 -0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 55.38 1wwx n LEU 20 Cb 0.22 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1wwx n LEU 20 CO 0.34 0.25 -0.07 -0.44 -1.33 0.00 0.00 177.39 176.14 1wwx s SER 21 N -2.61 4.67 0.04 -1.43 0.01 0.29 -4.91 113.70 109.75 1wwx s SER 21 Ca 0.19 -3.67 0.16 0.00 1.31 0.00 0.00 55.95 53.93 1wwx s SER 21 Cb 0.18 -1.61 0.66 0.00 0.21 0.00 0.00 66.02 65.46 1wwx s SER 21 CO 0.60 -0.11 1.49 -0.81 0.41 0.00 0.00 173.24 174.82 1wwx n PRO 22 N 2.21 0.03 0.15 12.44 -0.04 -1.24 -1.27 135.00 147.28 1wwx n PRO 22 Ca 0.17 0.28 0.03 0.00 -0.04 0.00 0.00 63.50 63.94 1wwx n PRO 22 Cb 0.35 -1.56 0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1wwx n PRO 22 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wwx h GLU 23 N 0.00 0.00 0.00 0.54 5.08 -1.91 -3.37 114.58 114.92 1wwx h GLU 23 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1wwx h GLU 23 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1wwx h GLU 23 CO 0.00 0.47 -2.04 0.39 -1.00 0.00 0.00 179.01 176.83 1wwx n GLU 24 N -3.22 0.42 -1.92 2.33 -0.58 -0.98 -4.95 120.64 111.73 1wwx n GLU 24 Ca 0.02 0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.48 1wwx n GLU 24 Cb 0.72 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 30.30 1wwx n GLU 24 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1wwx s ASN 25 N -6.23 6.60 -0.73 1.62 2.47 -0.39 -4.95 114.94 113.32 1wwx s ASN 25 Ca -0.25 2.34 -0.01 0.00 0.42 0.00 0.00 52.86 55.35 1wwx s ASN 25 Cb 0.08 -2.53 0.18 0.00 -1.45 0.00 0.00 41.25 37.53 1wwx s ASN 25 CO 0.37 -0.97 0.57 0.00 -3.72 0.00 0.00 177.10 173.35 1wwx n GLY 27 N 2.84 -0.48 0.06 0.00 0.00 -1.26 -4.83 105.19 101.51 1wwx n GLY 27 Ca 0.14 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.32 1wwx n GLY 27 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wwx n ILE 28 N -4.13 0.57 -4.13 -0.61 5.41 -1.26 -3.99 119.36 111.23 1wwx n ILE 28 Ca 0.01 -0.62 -0.11 0.00 1.00 0.00 0.00 62.75 63.04 1wwx n ILE 28 Cb 0.53 -0.26 -0.09 0.00 -0.71 0.00 0.00 39.64 39.11 1wwx n ILE 28 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1wwx s LEU 29 N -5.03 1.25 -0.03 1.39 1.43 -1.26 -2.11 118.68 114.31 1wwx s LEU 29 Ca -0.07 -1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 51.72 1wwx s LEU 29 Cb 0.11 0.61 0.01 0.00 0.03 0.00 0.00 46.19 46.95 1wwx s LEU 29 CO 0.86 -0.84 0.22 -1.61 0.23 0.00 0.00 176.35 175.21 1wwx s GLU 30 N -4.08 0.48 -0.67 1.70 2.02 -0.40 -4.79 118.70 112.96 1wwx s GLU 30 Ca 0.29 -0.12 -0.21 0.00 0.02 0.00 0.00 54.97 54.96 1wwx s GLU 30 Cb 0.06 0.21 0.09 0.00 0.10 0.00 0.00 34.13 34.59 1wwx s GLU 30 CO 0.07 -0.11 0.90 -1.58 0.02 0.00 0.00 175.26 174.55 1wwx s TRP 31 N -0.92 2.83 0.16 1.61 0.23 -1.26 -0.86 118.94 120.73 1wwx s TRP 31 Ca -0.10 -0.78 0.06 0.00 -2.03 0.00 0.00 56.10 53.25 1wwx s TRP 31 Cb -0.05 -4.20 -0.06 0.00 0.03 0.00 0.00 33.47 29.19 1wwx s TRP 31 CO 0.02 -1.52 1.36 0.93 0.96 0.00 0.00 176.95 178.70 1wwx h GLU 32 N 9.35 0.05 -0.91 4.98 4.39 -1.33 -3.44 114.58 127.67 1wwx h GLU 32 Ca -0.24 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.48 1wwx h GLU 32 Cb 1.07 0.02 -0.21 0.00 -0.10 0.00 0.00 28.75 29.53 1wwx h GLU 32 CO 1.15 0.92 -0.27 -0.51 -1.16 0.00 0.00 179.01 179.14 1wwx s ASP 33 N -6.80 -1.36 0.16 1.42 1.11 -0.38 -4.93 116.67 105.88 1wwx s ASP 33 Ca -0.00 0.51 -0.11 0.00 0.18 0.00 0.00 52.55 53.13 1wwx s ASP 33 Cb 0.10 2.01 0.01 0.00 1.07 0.00 0.00 42.92 46.11 1wwx s ASP 33 CO 0.81 -0.25 1.55 -0.09 1.18 0.00 0.00 175.17 178.37 1wwx h ARG 34 N 7.96 0.98 0.39 8.23 9.65 -1.85 1.00 114.38 140.74 1wwx h ARG 34 Ca -0.13 -0.40 -0.02 0.00 -1.10 0.00 0.00 59.98 58.33 1wwx h ARG 34 Cb 1.17 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1wwx h ARG 34 CO 0.17 1.08 -0.19 0.93 2.80 0.00 0.00 179.97 184.76 1wwx h GLU 35 N 0.84 -0.51 0.00 0.20 4.39 -1.96 -3.05 114.58 114.48 1wwx h GLU 35 Ca 0.12 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 1wwx h GLU 35 Cb 0.75 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 1wwx h GLU 35 CO 0.06 -0.31 -0.81 1.96 -1.16 0.00 0.00 179.01 178.75 1wwx h GLN 36 N -0.57 0.01 0.00 2.33 4.20 -1.98 -3.48 115.11 115.62 1wwx h GLN 36 Ca -0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1wwx h GLN 36 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1wwx h GLN 36 CO 0.09 0.81 0.00 0.41 -0.67 0.00 0.00 178.83 179.47 1wwx n GLY 37 N 0.80 1.13 3.75 3.46 0.00 0.32 -4.78 105.19 109.87 1wwx n GLY 37 Ca -0.01 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 1wwx n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wwx s ILE 38 N -2.00 5.00 0.13 -0.61 1.01 0.24 -2.52 121.20 122.46 1wwx s ILE 38 Ca 0.00 1.23 0.04 0.00 0.00 0.00 0.00 60.65 61.92 1wwx s ILE 38 Cb 0.00 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1wwx s ILE 38 CO 0.00 0.36 -0.10 0.72 0.00 0.00 0.00 174.94 175.92 1wwx s PHE 39 N 0.18 1.24 0.13 3.97 -0.71 0.23 -0.87 117.98 122.14 1wwx s PHE 39 Ca 0.31 -0.72 0.10 0.00 -1.04 0.00 0.00 56.93 55.59 1wwx s PHE 39 Cb -0.17 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 1wwx s PHE 39 CO 0.16 0.07 -0.24 0.50 -1.34 0.00 0.00 175.22 174.37 1wwx s ARG 40 N -3.45 1.52 -1.00 1.99 3.52 -0.04 -0.85 118.95 120.64 1wwx s ARG 40 Ca 0.14 -1.29 -0.11 0.00 -0.13 0.00 0.00 55.73 54.33 1wwx s ARG 40 Cb 0.01 -1.97 0.25 0.00 -1.56 0.00 0.00 34.95 31.68 1wwx s ARG 40 CO 0.01 0.46 0.99 0.08 -0.81 0.00 0.00 175.30 176.02 1wwx s VAL 41 N -1.08 5.82 0.18 7.11 1.01 0.41 -1.28 120.40 132.57 1wwx s VAL 41 Ca 0.15 -3.02 -0.13 0.00 0.00 0.00 0.00 61.98 58.98 1wwx s VAL 41 Cb -0.10 -4.56 0.10 0.00 0.00 0.00 0.00 36.38 31.82 1wwx s VAL 41 CO 0.07 -1.14 1.71 0.58 0.00 0.00 0.00 175.10 176.33 1wwx h VAL 42 N 4.14 0.72 -3.64 2.92 2.07 -1.69 -3.35 116.25 117.42 1wwx h VAL 42 Ca 0.15 -0.07 -0.69 0.00 0.82 0.00 0.00 66.70 66.92 1wwx h VAL 42 Cb 0.94 0.48 -0.34 0.00 -1.52 0.00 0.00 31.29 30.85 1wwx h VAL 42 CO 0.92 0.04 -0.63 -0.54 0.02 0.00 0.00 177.57 177.37 1wwx s LYS 43 N -6.15 2.15 0.25 1.57 1.02 -1.10 -4.95 119.74 112.54 1wwx s LYS 43 Ca -0.13 -1.57 0.13 0.00 0.02 0.00 0.00 55.97 54.42 1wwx s LYS 43 Cb 0.15 -3.36 0.18 0.00 -0.52 0.00 0.00 37.83 34.28 1wwx s LYS 43 CO 0.72 -0.85 1.49 0.66 -0.92 0.00 0.00 175.35 176.46 1wwx h SER 44 N 7.99 0.00 0.07 2.83 4.64 -1.87 -2.16 113.55 125.04 1wwx h SER 44 Ca -0.16 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.97 1wwx h SER 44 Cb 1.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.16 1wwx h SER 44 CO 0.60 0.64 -0.79 1.05 -0.87 0.00 0.00 176.83 177.46 1wwx h GLU 45 N 0.00 0.41 -0.30 4.77 4.11 -1.95 -3.18 114.58 118.44 1wwx h GLU 45 Ca -0.01 -0.54 -0.14 0.00 0.07 0.00 0.00 59.36 58.74 1wwx h GLU 45 Cb 1.33 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1wwx h GLU 45 CO 0.08 1.20 -0.40 0.00 0.07 0.00 0.00 179.01 179.97 1wwx h ALA 46 N 0.23 0.74 -0.34 1.06 0.00 -1.98 -1.70 119.26 117.27 1wwx h ALA 46 Ca -0.12 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.39 1wwx h ALA 46 Cb 1.54 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1wwx h ALA 46 CO 0.15 0.66 0.08 1.25 0.00 0.00 0.00 179.25 181.40 1wwx h LEU 47 N 0.58 0.05 0.05 0.00 5.85 -1.48 0.11 115.31 120.46 1wwx h LEU 47 Ca 0.05 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1wwx h LEU 47 Cb 0.94 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1wwx h LEU 47 CO 0.09 0.06 -0.02 0.00 -0.34 0.00 0.00 178.44 178.23 1wwx h ALA 48 N 1.25 -0.06 -0.63 1.25 0.00 -1.53 -1.87 119.26 117.67 1wwx h ALA 48 Ca 0.16 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1wwx h ALA 48 Cb 0.17 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 1wwx h ALA 48 CO -0.20 -0.27 -0.01 -0.22 0.00 0.00 0.00 179.25 178.55 1wwx h LYS 49 N -0.60 0.10 -0.34 0.00 3.64 -1.16 -0.17 116.57 118.04 1wwx h LYS 49 Ca -0.01 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1wwx h LYS 49 Cb 0.53 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1wwx h LYS 49 CO 0.01 0.07 0.01 0.52 -2.27 0.00 0.00 179.45 177.79 1wwx h MET 50 N 0.10 0.59 -0.08 1.90 2.86 -1.02 -3.09 114.93 116.20 1wwx h MET 50 Ca 0.33 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 1wwx h MET 50 Cb 0.53 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.08 1wwx h MET 50 CO -0.55 0.71 -0.29 2.35 1.06 0.00 0.00 176.91 180.19 1wwx h TRP 51 N 0.40 -0.80 -0.65 -0.22 -0.00 -0.30 -2.22 115.95 112.16 1wwx h TRP 51 Ca 0.10 0.03 0.14 0.00 -0.00 0.00 0.00 58.89 59.16 1wwx h TRP 51 Cb 0.43 0.36 -0.11 0.00 -0.00 0.00 0.00 29.16 29.85 1wwx h TRP 51 CO 0.03 -0.38 0.01 0.78 -0.00 0.00 0.00 178.44 178.89 1wwx h GLY 52 N -0.40 0.71 -0.12 2.65 0.00 -1.08 0.11 103.07 104.94 1wwx h GLY 52 Ca 0.08 0.08 0.25 0.00 0.00 0.00 0.00 47.33 47.74 1wwx h GLY 52 CO -0.30 -0.21 0.64 1.46 0.00 0.00 0.00 176.54 178.12 1wwx h GLN 53 N 0.13 0.48 -0.24 4.80 1.08 -1.32 1.50 115.11 121.55 1wwx h GLN 53 Ca 0.34 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.34 1wwx h GLN 53 Cb 0.56 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1wwx h GLN 53 CO -0.55 0.32 -0.52 0.00 -0.95 0.00 0.00 178.83 177.13 1wwx h ARG 54 N 0.50 0.77 -0.01 1.46 2.47 -0.67 -3.00 114.38 115.90 1wwx h ARG 54 Ca 0.61 -0.51 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1wwx h ARG 54 Cb 1.35 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1wwx h ARG 54 CO -0.37 1.14 -0.08 1.63 0.56 0.00 0.00 179.97 182.85 1wwx n LYS 55 N -4.09 1.02 -2.56 0.04 4.76 0.45 -4.91 118.16 112.86 1wwx n LYS 55 Ca -0.05 -0.42 -0.14 0.00 -2.87 0.00 0.00 58.31 54.82 1wwx n LYS 55 Cb 0.61 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1wwx n LYS 55 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wwx n LYS 56 N -0.63 -2.43 0.00 1.97 5.02 0.49 -4.91 118.16 117.66 1wwx n LYS 56 Ca 0.17 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1wwx n LYS 56 Cb 0.28 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 1wwx n LYS 56 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wwx n ASN 57 N -1.90 0.00 0.00 4.39 5.15 -1.04 -5.01 115.26 116.85 1wwx n ASN 57 Ca -0.14 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1wwx n ASN 57 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1wwx n ASN 57 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1wwx n ASP 58 N -0.07 -0.07 -2.42 1.20 2.03 -1.26 -4.99 116.55 110.96 1wwx n ASP 58 Ca 0.00 0.30 -0.01 0.00 0.52 0.00 0.00 54.79 55.60 1wwx n ASP 58 Cb 0.00 0.36 0.06 0.00 -0.72 0.00 0.00 41.12 40.83 1wwx n ASP 58 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1wwx n ARG 59 N -2.61 1.21 -1.01 -0.67 1.85 -1.26 -5.03 116.66 109.14 1wwx n ARG 59 Ca 0.00 -2.21 -0.35 0.00 -1.00 0.00 0.00 57.85 54.30 1wwx n ARG 59 Cb 0.00 -0.44 -0.02 0.00 -1.05 0.00 0.00 32.46 30.95 1wwx n ARG 59 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1wwx n MET 60 N -0.77 0.00 -3.95 2.89 1.56 -1.26 -4.97 117.12 110.62 1wwx n MET 60 Ca -0.06 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.24 1wwx n MET 60 Cb 0.86 -0.73 -0.14 0.00 2.15 0.00 0.00 33.22 35.37 1wwx n MET 60 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1wwx s THR 61 N -0.76 0.13 0.45 1.12 -4.23 -1.26 -3.93 115.64 107.15 1wwx s THR 61 Ca 0.46 -0.21 0.38 0.00 -1.18 0.00 0.00 61.69 61.14 1wwx s THR 61 Cb -0.66 -0.14 0.57 0.00 1.34 0.00 0.00 72.50 73.61 1wwx s THR 61 CO 0.41 -0.05 1.37 0.00 -0.54 0.00 0.00 174.62 175.80 1wwx n TYR 62 N 2.80 0.24 -0.07 3.99 9.36 -1.26 0.18 117.16 132.39 1wwx n TYR 62 Ca -0.14 0.24 -0.10 0.00 3.32 0.00 0.00 57.90 61.22 1wwx n TYR 62 Cb 0.59 -0.67 -0.03 0.00 -0.63 0.00 0.00 39.34 38.60 1wwx n TYR 62 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1wwx h GLU 63 N 0.00 0.35 0.14 2.98 4.81 -1.95 0.10 114.58 121.02 1wwx h GLU 63 Ca 0.81 -0.03 -0.29 0.00 -0.13 0.00 0.00 59.36 59.71 1wwx h GLU 63 Cb 3.00 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 32.31 1wwx h GLU 63 CO -0.17 0.29 -1.33 0.87 -0.73 0.00 0.00 179.01 177.95 1wwx h LYS 64 N 0.32 0.30 -0.61 1.92 1.57 0.14 -3.32 116.57 116.88 1wwx h LYS 64 Ca 0.09 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1wwx h LYS 64 Cb 0.03 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1wwx h LYS 64 CO -0.02 1.22 0.30 1.25 -0.57 0.00 0.00 179.45 181.64 1wwx h LEU 65 N 0.08 0.80 -1.89 2.94 6.46 -0.81 -2.23 115.31 120.66 1wwx h LEU 65 Ca -0.17 -0.13 0.14 0.00 -0.12 0.00 0.00 57.88 57.61 1wwx h LEU 65 Cb 2.00 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.70 1wwx h LEU 65 CO 0.20 0.71 0.39 0.77 -0.62 0.00 0.00 178.44 179.89 1wwx h SER 66 N 0.84 0.10 -0.80 1.25 4.64 -0.89 -1.72 113.55 116.98 1wwx h SER 66 Ca 0.21 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.73 1wwx h SER 66 Cb 0.11 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 62.06 1wwx h SER 66 CO -0.03 0.06 0.17 0.08 -0.87 0.00 0.00 176.83 176.24 1wwx h ARG 67 N 0.11 0.21 -0.10 4.77 0.11 -1.51 0.71 114.38 118.68 1wwx h ARG 67 Ca 0.27 -0.01 -0.22 0.00 0.10 0.00 0.00 59.98 60.11 1wwx h ARG 67 Cb 0.91 -0.05 0.01 0.00 1.11 0.00 0.00 29.97 31.95 1wwx h ARG 67 CO -0.03 0.14 -0.83 0.00 0.10 0.00 0.00 179.97 179.35 1wwx h ALA 68 N 1.70 0.34 -0.88 0.08 0.00 -1.46 -2.42 119.26 116.62 1wwx h ALA 68 Ca 0.47 -0.63 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1wwx h ALA 68 Cb 0.87 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.55 1wwx h ALA 68 CO -0.60 0.71 0.46 -0.07 0.00 0.00 0.00 179.25 179.75 1wwx h LEU 69 N 0.44 0.55 0.00 0.00 3.38 -0.82 0.18 115.31 119.04 1wwx h LEU 69 Ca -0.06 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1wwx h LEU 69 Cb 1.46 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 1wwx h LEU 69 CO 0.16 0.21 -0.47 0.03 0.09 0.00 0.00 178.44 178.46 1wwx h ARG 70 N 0.62 0.00 0.00 1.13 2.47 -1.31 -3.27 114.38 114.02 1wwx h ARG 70 Ca 0.49 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 59.11 1wwx h ARG 70 Cb 0.73 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1wwx h ARG 70 CO -0.38 0.09 -0.48 -0.92 0.56 0.00 0.00 179.97 178.84 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 5.03 -0.22 -3.01 116.97 121.81 1wwx h TYR 71 Ca -0.01 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 1wwx h TYR 71 Cb 1.10 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.37 1wwx h TYR 71 CO 0.00 0.48 -0.20 1.88 -1.32 0.00 0.00 178.16 179.00 1wwx h TYR 72 N 0.00 0.00 0.00 -3.82 0.05 -1.00 -2.59 116.97 109.61 1wwx h TYR 72 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1wwx h TYR 72 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1wwx h TYR 72 CO 0.00 0.20 0.00 0.66 -1.05 0.00 0.00 178.16 177.97 1wwx n TYR 73 N -3.47 0.00 -0.04 4.88 4.01 -1.14 -0.35 117.16 121.05 1wwx n TYR 73 Ca -0.01 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.69 1wwx n TYR 73 Cb 0.37 -0.43 -0.14 0.00 -0.31 0.00 0.00 39.34 38.83 1wwx n TYR 73 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1wwx n LYS 74 N -1.43 0.66 0.00 -0.72 5.02 -0.97 -4.25 118.16 116.46 1wwx n LYS 74 Ca 0.01 0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.49 1wwx n LYS 74 Cb 0.03 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.30 1wwx n LYS 74 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wwx n THR 75 N -2.77 0.03 0.00 -0.18 -2.24 -0.11 -4.97 114.28 104.04 1wwx n THR 75 Ca -0.20 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1wwx n THR 75 Cb 0.97 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1wwx n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wwx n GLY 76 N 1.41 3.38 0.33 3.38 0.00 0.52 -4.79 105.19 109.42 1wwx n GLY 76 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.18 1wwx n GLY 76 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wwx h ILE 77 N 0.00 0.07 -1.30 -0.61 1.08 -1.87 -3.27 117.51 111.62 1wwx h ILE 77 Ca 0.00 -0.01 -0.59 0.00 -0.39 0.00 0.00 64.86 63.87 1wwx h ILE 77 Cb 0.00 0.03 -0.09 0.00 -3.07 0.00 0.00 36.82 33.69 1wwx h ILE 77 CO 0.00 0.01 -0.48 -0.76 -0.69 0.00 0.00 178.15 176.23 1wwx s LEU 78 N -10.91 2.93 -0.08 1.44 1.43 -1.24 -0.27 118.68 111.99 1wwx s LEU 78 Ca -0.13 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.78 1wwx s LEU 78 Cb 0.29 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 45.26 1wwx s LEU 78 CO 0.78 -0.65 -0.09 -1.61 0.23 0.00 0.00 176.35 175.00 1wwx s GLU 79 N -3.94 1.49 0.19 1.70 2.02 0.14 -4.23 118.70 116.07 1wwx s GLU 79 Ca 0.35 -0.29 -0.32 0.00 0.02 0.00 0.00 54.97 54.72 1wwx s GLU 79 Cb 0.03 -1.40 -0.12 0.00 0.10 0.00 0.00 34.13 32.74 1wwx s GLU 79 CO 0.19 -0.12 1.69 -2.13 0.02 0.00 0.00 175.26 174.92 1wwx n ARG 80 N 4.35 2.61 -4.88 1.61 0.63 -1.26 -3.92 116.66 115.80 1wwx n ARG 80 Ca -0.18 0.94 -0.30 0.00 -0.92 0.00 0.00 57.85 57.39 1wwx n ARG 80 Cb 0.51 -2.77 -0.14 0.00 0.45 0.00 0.00 32.46 30.50 1wwx n ARG 80 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wwx s VAL 81 N 1.21 2.35 -0.36 5.15 1.01 -1.26 -5.01 120.40 123.49 1wwx s VAL 81 Ca 0.77 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1wwx s VAL 81 Cb -0.55 -1.93 0.44 0.00 0.00 0.00 0.00 36.38 34.35 1wwx s VAL 81 CO 0.34 0.39 1.74 0.47 0.00 0.00 0.00 175.10 178.04 1wwx n ASP 82 N 1.80 4.34 -3.44 3.32 9.92 -1.26 -4.91 116.55 126.32 1wwx n ASP 82 Ca -0.17 -3.21 -0.17 0.00 -0.53 0.00 0.00 54.79 50.71 1wwx n ASP 82 Cb 0.52 -0.81 -0.03 0.00 -0.64 0.00 0.00 41.12 40.16 1wwx n ASP 82 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wwx n ARG 83 N -0.58 1.32 -4.14 -1.24 1.74 -1.26 -5.13 116.66 107.37 1wwx n ARG 83 Ca 0.43 -1.97 -0.34 0.00 -0.77 0.00 0.00 57.85 55.20 1wwx n ARG 83 Cb 1.18 0.51 -0.11 0.00 -1.02 0.00 0.00 32.46 33.01 1wwx n ARG 83 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1wwx s ARG 84 N -2.99 3.77 -1.41 5.56 3.52 -1.26 -4.51 118.95 121.63 1wwx s ARG 84 Ca 0.01 -0.45 -0.12 0.00 -0.13 0.00 0.00 55.73 55.04 1wwx s ARG 84 Cb -0.00 -3.09 0.09 0.00 -1.56 0.00 0.00 34.95 30.38 1wwx s ARG 84 CO 0.01 0.17 0.62 1.28 -0.81 0.00 0.00 175.30 176.56 1wwx n LEU 85 N 3.81 -1.75 -3.77 -0.88 4.32 -1.26 -4.90 117.00 112.57 1wwx n LEU 85 Ca -0.17 -0.56 -0.28 0.00 -0.02 0.00 0.00 56.01 54.98 1wwx n LEU 85 Cb 0.52 -2.20 -0.16 0.00 -1.62 0.00 0.00 43.42 39.96 1wwx n LEU 85 CO 0.33 0.23 -0.37 -0.69 -1.22 0.00 0.00 177.39 175.67 1wwx s VAL 86 N -3.05 0.74 0.47 4.08 1.01 -1.26 -0.44 120.40 121.94 1wwx s VAL 86 Ca 0.50 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1wwx s VAL 86 Cb -0.26 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 1wwx s VAL 86 CO 0.62 -0.23 0.34 -0.31 0.00 0.00 0.00 175.10 175.52 1wwx s TYR 87 N 1.75 2.19 -0.16 5.22 1.51 -0.03 -4.60 117.35 123.24 1wwx s TYR 87 Ca -0.01 -0.68 -0.12 0.00 -1.01 0.00 0.00 57.07 55.25 1wwx s TYR 87 Cb -0.17 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 39.73 1wwx s TYR 87 CO -0.09 -0.20 0.42 0.21 -1.11 0.00 0.00 175.55 174.78 1wwx s LYS 88 N -4.14 0.44 -0.10 -0.62 2.20 -1.25 -0.60 119.74 115.67 1wwx s LYS 88 Ca 0.40 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.40 1wwx s LYS 88 Cb -0.01 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1wwx s LYS 88 CO 0.23 -0.11 1.14 -0.06 -0.36 0.00 0.00 175.35 176.20 1wwx s PHE 89 N 0.82 3.25 0.00 4.03 0.08 -1.05 0.24 117.98 125.34 1wwx s PHE 89 Ca -0.05 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1wwx s PHE 89 Cb -0.06 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.04 1wwx s PHE 89 CO -0.06 -1.00 0.00 0.41 -0.10 0.00 0.00 175.22 174.47 1wwx n GLY 90 N 3.32 -1.15 0.09 4.36 0.00 0.63 -4.79 105.19 107.66 1wwx n GLY 90 Ca 0.11 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1wwx n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wwx n LYS 91 N 0.00 0.62 -0.03 1.61 2.85 -1.24 -4.02 118.16 117.95 1wwx n LYS 91 Ca 0.00 0.21 0.04 0.00 -1.05 0.00 0.00 58.31 57.51 1wwx n LYS 91 Cb 0.00 -1.80 0.41 0.00 -0.65 0.00 0.00 35.03 32.99 1wwx n LYS 91 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1wwx h ASN 92 N 0.00 0.51 -3.70 -5.58 -0.26 -1.82 -3.42 115.58 101.30 1wwx h ASN 92 Ca -0.17 -0.01 -0.50 0.00 -0.56 0.00 0.00 56.30 55.06 1wwx h ASN 92 Cb 1.58 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 38.70 1wwx h ASN 92 CO 0.04 0.37 0.41 0.00 -1.06 0.00 0.00 177.43 177.19 1wwx s ALA 93 N -5.53 3.35 -0.12 -0.83 0.00 -1.26 -4.87 121.76 112.51 1wwx s ALA 93 Ca -0.09 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 1wwx s ALA 93 Cb 0.18 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 20.05 1wwx s ALA 93 CO 0.74 0.01 -0.07 -3.38 0.00 0.00 0.00 175.76 173.05 1wwx s HIS 94 N -0.83 1.49 0.00 0.00 -3.43 -1.26 -4.84 115.29 106.41 1wwx s HIS 94 Ca 0.44 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 1wwx s HIS 94 Cb -0.28 -1.23 0.00 0.00 -1.43 0.00 0.00 32.58 29.64 1wwx s HIS 94 CO 0.35 -0.52 0.00 0.41 -2.00 0.00 0.00 174.74 172.98 1wwx n GLY 95 N 4.94 1.92 0.08 -1.38 0.00 -1.26 -5.00 105.19 104.48 1wwx n GLY 95 Ca -0.12 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1wwx n GLY 95 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1wwx h TRP 96 N 0.00 0.00 -3.25 1.61 5.08 -1.95 -3.47 115.95 113.97 1wwx h TRP 96 Ca 0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.39 1wwx h TRP 96 Cb 0.00 0.00 0.16 0.00 -3.00 0.00 0.00 29.16 26.32 1wwx h TRP 96 CO 0.00 0.75 -0.10 0.00 -1.28 0.00 0.00 178.44 177.81 1wwx n GLN 97 N -4.59 0.76 -1.83 0.12 10.64 -1.26 -4.81 117.38 116.40 1wwx n GLN 97 Ca -0.14 0.29 -0.43 0.00 -1.83 0.00 0.00 57.00 54.89 1wwx n GLN 97 Cb 0.40 -1.95 -0.03 0.00 -0.86 0.00 0.00 30.24 27.81 1wwx n GLN 97 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1wwx s GLU 98 N -2.39 3.37 0.33 2.61 2.56 -1.26 -4.74 118.70 119.18 1wwx s GLU 98 Ca 0.72 1.79 0.00 0.00 0.00 0.00 0.00 54.97 57.47 1wwx s GLU 98 Cb -0.44 -4.25 0.00 0.00 2.00 0.00 0.00 34.13 31.44 1wwx s GLU 98 CO 0.51 -1.82 0.00 -0.25 -0.56 0.00 0.00 175.26 173.14 1wwx n ASP 99 N 10.43 -8.02 -4.86 -1.70 9.92 -1.26 -4.81 116.55 116.24 1wwx n ASP 99 Ca 0.25 0.59 -0.35 0.00 -0.53 0.00 0.00 54.79 54.76 1wwx n ASP 99 Cb 0.45 -4.17 -0.05 0.00 -0.64 0.00 0.00 41.12 36.71 1wwx n ASP 99 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1wwx s LYS 100 N -2.29 3.79 0.00 -1.24 3.01 -1.26 -4.90 119.74 116.85 1wwx s LYS 100 Ca 0.00 0.22 0.00 0.00 -1.01 0.00 0.00 55.97 55.18 1wwx s LYS 100 Cb 0.00 -2.98 0.00 0.00 -1.01 0.00 0.00 37.83 33.84 1wwx s LYS 100 CO 0.00 0.54 0.00 1.28 0.51 0.00 0.00 175.35 177.68 1wwx n LEU 101 N 0.87 0.00 -2.49 3.17 4.77 -1.26 -5.10 117.00 116.96 1wwx n LEU 101 Ca -0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.88 1wwx n LEU 101 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1wwx n LEU 101 CO 0.42 0.00 -0.51 -1.20 -1.33 0.00 0.00 177.39 174.78 1wwx n SER 102 N 0.00 -3.76 0.00 -1.43 7.64 -1.26 -5.06 113.62 109.75 1wwx n SER 102 Ca 0.00 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1wwx n SER 102 Cb 0.00 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 58.50 1wwx n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwx n GLY 103 N 1.05 -1.54 0.02 0.23 0.00 -1.26 -4.81 105.19 98.88 1wwx n GLY 103 Ca -0.19 0.68 0.08 0.00 0.00 0.00 0.00 46.02 46.59 1wwx n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wwx n PRO 104 N 0.00 0.03 -1.33 1.61 -0.04 -1.26 -5.00 135.00 129.01 1wwx n PRO 104 Ca 0.00 0.28 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 1wwx n PRO 104 Cb 0.00 -1.56 -0.04 0.00 -0.04 0.00 0.00 33.50 31.86 1wwx n PRO 104 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wwx n SER 105 N -1.62 -7.21 -3.15 3.54 2.88 -1.26 -5.01 113.62 101.79 1wwx n SER 105 Ca 0.03 1.50 0.04 0.00 -1.33 0.00 0.00 58.87 59.12 1wwx n SER 105 Cb 0.18 -4.36 -0.00 0.00 -0.75 0.00 0.00 64.21 59.27 1wwx n SER 105 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wwx s SER 106 N -5.86 -1.41 0.00 -3.46 1.04 -1.26 -5.21 113.70 97.54 1wwx s SER 106 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1wwx s SER 106 Cb 0.00 1.92 0.00 0.00 0.10 0.00 0.00 66.02 68.04 1wwx s SER 106 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57