#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wwx s SER 2 N 0.00 2.39 -0.26 1.61 0.15 -1.26 -5.11 113.70 111.22 1wwx s SER 2 Ca 0.00 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 1wwx s SER 2 Cb 0.00 -0.41 0.11 0.00 -1.71 0.00 0.00 66.02 64.01 1wwx s SER 2 CO 0.00 0.22 0.20 -0.55 1.20 0.00 0.00 173.24 174.31 1wwx s SER 3 N -0.31 2.31 1.01 5.45 0.15 -1.26 -5.14 113.70 115.90 1wwx s SER 3 Ca 0.04 -0.80 -0.18 0.00 0.70 0.00 0.00 55.95 55.71 1wwx s SER 3 Cb -0.09 0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 1wwx s SER 3 CO 0.00 -0.39 -0.44 0.61 1.20 0.00 0.00 173.24 174.23 1wwx n GLY 4 N 5.29 -3.20 0.70 9.45 0.00 -1.26 -4.98 105.19 111.20 1wwx n GLY 4 Ca -0.05 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 1wwx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wwx n SER 5 N 1.15 1.00 -3.99 1.61 2.88 -1.26 -5.02 113.62 109.99 1wwx n SER 5 Ca 0.01 0.16 -0.30 0.00 -1.33 0.00 0.00 58.87 57.40 1wwx n SER 5 Cb 0.60 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1wwx n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wwx n SER 6 N -3.61 -3.27 0.00 -3.46 2.88 -1.26 -4.58 113.62 100.32 1wwx n SER 6 Ca -0.13 -0.89 0.00 0.00 -1.33 0.00 0.00 58.87 56.52 1wwx n SER 6 Cb 0.44 -3.43 0.00 0.00 -0.75 0.00 0.00 64.21 60.47 1wwx n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwx n GLY 7 N -1.64 -1.02 2.72 0.46 0.00 -1.26 -5.07 105.19 99.38 1wwx n GLY 7 Ca -0.04 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.24 0.83 -0.37 1.61 1.04 -1.26 -5.02 113.70 109.29 1wwx s SER 8 Ca 0.00 0.05 0.11 0.00 0.48 0.00 0.00 55.95 56.59 1wwx s SER 8 Cb 0.00 -0.15 0.40 0.00 0.10 0.00 0.00 66.02 66.37 1wwx s SER 8 CO 0.00 -0.20 1.43 -1.54 0.98 0.00 0.00 173.24 173.91 1wwx n SER 9 N 4.89 -1.66 -3.96 7.02 3.41 -1.26 -5.12 113.62 116.93 1wwx n SER 9 Ca -0.12 -2.36 -0.19 0.00 -0.26 0.00 0.00 58.87 55.94 1wwx n SER 9 Cb 0.50 0.85 -0.15 0.00 -0.26 0.00 0.00 64.21 65.15 1wwx n SER 9 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1wwx s HIS 10 N 0.11 0.75 0.06 7.33 3.76 -1.26 -5.06 115.29 120.97 1wwx s HIS 10 Ca 0.17 -0.18 -0.32 0.00 -0.15 0.00 0.00 55.06 54.58 1wwx s HIS 10 Cb 0.42 -0.56 -0.19 0.00 1.11 0.00 0.00 32.58 33.37 1wwx s HIS 10 CO -0.11 -0.09 1.56 1.25 -0.85 0.00 0.00 174.74 176.50 1wwx h LEU 11 N 6.48 -0.76 -1.55 0.89 5.85 -1.99 -2.49 115.31 121.75 1wwx h LEU 11 Ca -0.33 0.01 0.50 0.00 0.84 0.00 0.00 57.88 58.90 1wwx h LEU 11 Cb 1.17 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.27 1wwx h LEU 11 CO 0.49 -0.51 1.02 4.11 -0.34 0.00 0.00 178.44 183.21 1wwx h TRP 12 N -0.94 0.38 -0.03 1.25 5.08 -1.97 1.26 115.95 120.97 1wwx h TRP 12 Ca -0.09 0.02 -0.19 0.00 1.08 0.00 0.00 58.89 59.71 1wwx h TRP 12 Cb 0.70 -0.09 0.01 0.00 -3.00 0.00 0.00 29.16 26.79 1wwx h TRP 12 CO -0.02 -0.21 -0.71 0.93 -1.28 0.00 0.00 178.44 177.14 1wwx h GLU 13 N 0.01 0.54 0.40 0.12 5.08 -1.89 -2.44 114.58 116.40 1wwx h GLU 13 Ca 0.90 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1wwx h GLU 13 Cb 3.07 0.14 0.00 0.00 0.50 0.00 0.00 28.75 32.47 1wwx h GLU 13 CO -0.35 1.17 -0.19 0.35 -1.00 0.00 0.00 179.01 178.98 1wwx h PHE 14 N 0.13 -0.49 -0.21 4.33 3.04 0.19 0.77 116.94 124.69 1wwx h PHE 14 Ca -0.08 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1wwx h PHE 14 Cb 1.39 0.16 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 1wwx h PHE 14 CO 0.12 -0.24 0.14 -0.24 -2.02 0.00 0.00 178.31 176.07 1wwx h VAL 15 N -0.64 1.06 -0.13 1.41 3.04 -1.19 -2.37 116.25 117.42 1wwx h VAL 15 Ca -0.05 -0.11 -0.12 0.00 -1.01 0.00 0.00 66.70 65.41 1wwx h VAL 15 Cb 0.47 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1wwx h VAL 15 CO 0.09 0.05 -0.38 -0.09 -1.01 0.00 0.00 177.57 176.24 1wwx h ARG 16 N 0.28 0.48 -0.35 4.17 2.43 -1.16 -3.11 114.38 117.13 1wwx h ARG 16 Ca 0.08 -0.35 0.10 0.00 -0.81 0.00 0.00 59.98 59.00 1wwx h ARG 16 Cb -0.03 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1wwx h ARG 16 CO -0.02 0.97 0.25 0.22 -1.51 0.00 0.00 179.97 179.88 1wwx h ASP 17 N 0.09 0.00 -0.63 -3.80 1.82 -0.33 -0.75 116.42 112.81 1wwx h ASP 17 Ca -0.01 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.54 1wwx h ASP 17 Cb 0.99 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.98 1wwx h ASP 17 CO 0.08 0.00 0.07 -0.07 -1.61 0.00 0.00 179.24 177.71 1wwx h LEU 18 N 0.00 1.04 -1.06 2.28 3.38 -1.41 0.17 115.31 119.71 1wwx h LEU 18 Ca 0.17 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1wwx h LEU 18 Cb 0.67 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1wwx h LEU 18 CO -0.00 1.06 -0.13 -0.07 0.09 0.00 0.00 178.44 179.39 1wwx h LEU 19 N 1.00 0.51 0.00 1.67 3.38 -1.18 -2.39 115.31 118.30 1wwx h LEU 19 Ca 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wwx h LEU 19 Cb 0.48 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wwx h LEU 19 CO 0.02 0.67 -0.47 0.18 0.09 0.00 0.00 178.44 178.92 1wwx n LEU 20 N -4.20 0.66 -3.97 1.67 4.77 -1.05 -4.45 117.00 110.44 1wwx n LEU 20 Ca 0.01 0.27 -0.31 0.00 -0.03 0.00 0.00 56.01 55.95 1wwx n LEU 20 Cb 0.33 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1wwx n LEU 20 CO 0.41 -0.05 0.08 -0.44 -1.33 0.00 0.00 177.39 176.05 1wwx s SER 21 N -4.07 5.18 0.00 -1.43 0.01 0.57 -4.90 113.70 109.06 1wwx s SER 21 Ca 0.08 -3.76 0.15 0.00 1.31 0.00 0.00 55.95 53.72 1wwx s SER 21 Cb 0.14 -1.73 0.76 0.00 0.21 0.00 0.00 66.02 65.40 1wwx s SER 21 CO 0.69 -0.13 1.41 -0.81 0.41 0.00 0.00 173.24 174.81 1wwx n PRO 22 N 2.16 0.22 0.06 12.44 -0.04 -1.25 -1.85 135.00 146.74 1wwx n PRO 22 Ca 0.19 0.14 -0.04 0.00 -0.04 0.00 0.00 63.50 63.75 1wwx n PRO 22 Cb 0.35 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.90 -3.38 114.58 114.92 1wwx h GLU 23 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1wwx h GLU 23 Cb 0.13 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 1wwx h GLU 23 CO 0.00 0.67 -2.42 0.39 -1.00 0.00 0.00 179.01 176.65 1wwx n GLU 24 N -3.19 0.62 -2.40 2.33 -0.58 -1.00 -4.94 120.64 111.47 1wwx n GLU 24 Ca -0.04 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 1wwx n GLU 24 Cb 0.89 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 30.24 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 -6.48 7.08 -0.67 1.62 2.47 -0.77 -4.99 114.94 113.19 1wwx s ASN 25 Ca -0.34 2.08 0.02 0.00 0.42 0.00 0.00 52.86 55.04 1wwx s ASN 25 Cb 0.09 -2.59 0.17 0.00 -1.45 0.00 0.00 41.25 37.47 1wwx s ASN 25 CO 0.57 -0.45 0.47 0.00 -3.72 0.00 0.00 177.10 173.97 1wwx n GLY 27 N 2.71 -0.35 0.07 0.00 0.00 -1.26 -4.86 105.19 101.50 1wwx n GLY 27 Ca 0.13 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.44 0.88 -4.17 -0.61 5.41 -1.26 -4.00 119.36 111.17 1wwx n ILE 28 Ca -0.11 -0.71 -0.11 0.00 1.00 0.00 0.00 62.75 62.82 1wwx n ILE 28 Cb 0.59 -0.35 -0.10 0.00 -0.71 0.00 0.00 39.64 39.07 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 -5.20 1.32 0.01 1.39 1.43 -1.26 -1.10 118.68 115.26 1wwx s LEU 29 Ca -0.08 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 51.70 1wwx s LEU 29 Cb 0.09 0.41 -0.01 0.00 0.03 0.00 0.00 46.19 46.72 1wwx s LEU 29 CO 0.85 -0.81 0.01 -1.61 0.23 0.00 0.00 176.35 175.02 1wwx s GLU 30 N -4.12 0.25 -0.66 1.70 2.02 0.08 -4.76 118.70 113.21 1wwx s GLU 30 Ca 0.33 -0.39 -0.19 0.00 0.02 0.00 0.00 54.97 54.74 1wwx s GLU 30 Cb 0.07 0.09 0.11 0.00 0.10 0.00 0.00 34.13 34.50 1wwx s GLU 30 CO 0.08 -0.04 0.80 -1.58 0.02 0.00 0.00 175.26 174.54 1wwx s TRP 31 N -1.02 3.01 0.06 1.61 0.23 -1.26 -1.10 118.94 120.47 1wwx s TRP 31 Ca -0.11 -1.02 0.09 0.00 -2.03 0.00 0.00 56.10 53.03 1wwx s TRP 31 Cb -0.07 -4.08 -0.12 0.00 0.03 0.00 0.00 33.47 29.23 1wwx s TRP 31 CO -0.00 -1.36 1.33 0.93 0.96 0.00 0.00 176.95 178.81 1wwx h GLU 32 N 9.11 0.00 -0.83 4.98 4.39 -1.75 -3.44 114.58 127.04 1wwx h GLU 32 Ca -0.21 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.58 1wwx h GLU 32 Cb 1.07 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.52 1wwx h GLU 32 CO 1.09 0.87 -0.26 -0.51 -1.16 0.00 0.00 179.01 179.04 1wwx s ASP 33 N -6.65 -1.30 0.18 1.42 1.01 -0.98 -4.95 116.67 105.39 1wwx s ASP 33 Ca 0.02 0.32 -0.08 0.00 0.71 0.00 0.00 52.55 53.52 1wwx s ASP 33 Cb 0.10 1.89 0.07 0.00 1.01 0.00 0.00 42.92 45.99 1wwx s ASP 33 CO 0.80 -0.24 1.58 -0.09 0.21 0.00 0.00 175.17 177.43 1wwx h ARG 34 N 7.88 0.92 0.11 8.23 9.65 -1.85 0.79 114.38 140.11 1wwx h ARG 34 Ca -0.08 -0.39 -0.01 0.00 -1.10 0.00 0.00 59.98 58.41 1wwx h ARG 34 Cb 1.18 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1wwx h ARG 34 CO 0.12 1.04 -0.06 0.93 2.80 0.00 0.00 179.97 184.80 1wwx h GLU 35 N 0.79 -0.15 0.04 0.20 5.08 -1.96 -3.01 114.58 115.57 1wwx h GLU 35 Ca 0.10 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.25 1wwx h GLU 35 Cb 0.78 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1wwx h GLU 35 CO 0.06 -0.10 -1.01 1.96 -1.00 0.00 0.00 179.01 178.92 1wwx h GLN 36 N -0.15 0.15 0.00 2.33 4.20 -1.97 -3.48 115.11 116.18 1wwx h GLN 36 Ca -0.02 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1wwx h GLN 36 Cb 0.12 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wwx h GLN 36 CO 0.03 1.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.63 1wwx n GLY 37 N 1.19 1.38 3.81 3.46 0.00 0.25 -4.78 105.19 110.51 1wwx n GLY 37 Ca -0.04 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 4.70 0.01 -0.61 1.01 0.21 -2.66 121.20 121.86 1wwx s ILE 38 Ca 0.00 1.19 -0.09 0.00 0.00 0.00 0.00 60.65 61.75 1wwx s ILE 38 Cb 0.00 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.60 1wwx s ILE 38 CO 0.00 0.42 0.19 0.72 0.00 0.00 0.00 174.94 176.27 1wwx s PHE 39 N -1.26 -0.00 -0.02 3.97 -0.71 -0.02 -2.00 117.98 117.94 1wwx s PHE 39 Ca 0.34 -0.08 0.03 0.00 -1.04 0.00 0.00 56.93 56.18 1wwx s PHE 39 Cb -0.18 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 1wwx s PHE 39 CO 0.20 -0.34 -0.09 0.50 -1.34 0.00 0.00 175.22 174.15 1wwx s ARG 40 N -1.63 2.55 -1.11 1.99 3.52 -0.26 -1.27 118.95 122.74 1wwx s ARG 40 Ca -0.13 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.62 1wwx s ARG 40 Cb -0.06 -2.47 0.14 0.00 -1.56 0.00 0.00 34.95 31.00 1wwx s ARG 40 CO 0.01 0.62 1.35 0.08 -0.81 0.00 0.00 175.30 176.55 1wwx s VAL 41 N -0.89 4.77 0.14 7.11 1.01 0.35 -0.74 120.40 132.15 1wwx s VAL 41 Ca 0.14 -2.09 -0.23 0.00 0.00 0.00 0.00 61.98 59.81 1wwx s VAL 41 Cb -0.11 -4.90 0.00 0.00 0.00 0.00 0.00 36.38 31.37 1wwx s VAL 41 CO 0.04 -1.64 1.64 0.58 0.00 0.00 0.00 175.10 175.72 1wwx h VAL 42 N 5.29 0.44 -3.50 2.92 2.07 -1.40 -3.33 116.25 118.73 1wwx h VAL 42 Ca 0.27 0.00 -0.70 0.00 0.82 0.00 0.00 66.70 67.09 1wwx h VAL 42 Cb 0.93 0.44 -0.34 0.00 -1.52 0.00 0.00 31.29 30.80 1wwx h VAL 42 CO 1.23 0.00 -0.43 -0.54 0.02 0.00 0.00 177.57 177.85 1wwx s LYS 43 N -6.09 2.35 0.35 1.57 1.02 -0.75 -4.92 119.74 113.26 1wwx s LYS 43 Ca -0.15 -2.17 0.11 0.00 0.02 0.00 0.00 55.97 53.79 1wwx s LYS 43 Cb 0.11 -3.71 0.64 0.00 -0.52 0.00 0.00 37.83 34.36 1wwx s LYS 43 CO 0.67 -1.14 1.79 0.66 -0.92 0.00 0.00 175.35 176.41 1wwx h SER 44 N 7.60 0.05 -0.03 2.83 4.64 -1.85 -1.09 113.55 125.69 1wwx h SER 44 Ca -0.08 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 1wwx h SER 44 Cb 1.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1wwx h SER 44 CO 0.72 0.44 -0.20 -0.33 -0.87 0.00 0.00 176.83 176.59 1wwx h GLU 45 N 0.04 0.20 -0.62 4.77 4.39 -1.94 -3.10 114.58 118.31 1wwx h GLU 45 Ca 0.00 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 1wwx h GLU 45 Cb 0.71 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 1wwx h GLU 45 CO 0.05 0.83 0.08 0.00 -1.16 0.00 0.00 179.01 178.81 1wwx h ALA 46 N 0.37 0.97 0.03 3.43 0.00 -1.96 -1.60 119.26 120.50 1wwx h ALA 46 Ca -0.02 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1wwx h ALA 46 Cb 0.87 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1wwx h ALA 46 CO 0.04 0.64 -0.27 1.25 0.00 0.00 0.00 179.25 180.92 1wwx h LEU 47 N 0.96 -0.78 -0.03 0.00 5.85 -1.26 0.24 115.31 120.28 1wwx h LEU 47 Ca 0.19 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1wwx h LEU 47 Cb 0.44 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1wwx h LEU 47 CO 0.01 -0.34 0.01 0.00 -0.34 0.00 0.00 178.44 177.78 1wwx h ALA 48 N 0.37 0.04 -0.61 1.25 0.00 -1.48 -0.90 119.26 117.93 1wwx h ALA 48 Ca 0.05 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1wwx h ALA 48 Cb 0.50 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 1wwx h ALA 48 CO -0.21 -0.35 -0.01 0.87 0.00 0.00 0.00 179.25 179.55 1wwx h LYS 49 N -0.15 0.11 0.05 0.00 1.57 -1.06 0.33 116.57 117.42 1wwx h LYS 49 Ca 0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wwx h LYS 49 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1wwx h LYS 49 CO -0.00 0.07 -0.02 0.52 -0.57 0.00 0.00 179.45 179.45 1wwx h MET 50 N 0.11 -0.06 -0.22 3.15 2.86 -0.86 -3.07 114.93 116.83 1wwx h MET 50 Ca 0.32 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.01 1wwx h MET 50 Cb 0.52 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.12 1wwx h MET 50 CO -0.53 0.26 -0.45 2.35 1.06 0.00 0.00 176.91 179.60 1wwx h TRP 51 N -0.39 -1.30 -0.73 -0.22 -0.00 -0.36 -1.65 115.95 111.28 1wwx h TRP 51 Ca -0.01 0.06 0.16 0.00 -0.00 0.00 0.00 58.89 59.10 1wwx h TRP 51 Cb 0.35 0.60 -0.13 0.00 -0.00 0.00 0.00 29.16 29.98 1wwx h TRP 51 CO 0.03 -0.48 -0.09 0.78 -0.00 0.00 0.00 178.44 178.68 1wwx h GLY 52 N -0.46 0.67 -0.22 2.65 0.00 -1.01 0.47 103.07 105.18 1wwx h GLY 52 Ca 0.09 0.18 0.31 0.00 0.00 0.00 0.00 47.33 47.90 1wwx h GLY 52 CO -0.46 -0.28 0.77 1.46 0.00 0.00 0.00 176.54 178.03 1wwx h GLN 53 N 0.04 0.11 -0.06 4.80 4.20 -1.20 0.65 115.11 123.65 1wwx h GLN 53 Ca 0.38 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.88 1wwx h GLN 53 Cb 0.62 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1wwx h GLN 53 CO -0.70 0.07 -0.80 0.00 -0.67 0.00 0.00 178.83 176.73 1wwx h ARG 54 N 0.11 0.44 -0.47 1.46 2.47 0.07 -3.07 114.38 115.39 1wwx h ARG 54 Ca 0.55 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.88 1wwx h ARG 54 Cb 1.96 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 30.38 1wwx h ARG 54 CO -0.09 1.04 0.00 1.63 0.56 0.00 0.00 179.97 183.11 1wwx n LYS 55 N -3.82 2.25 -2.84 0.04 4.76 0.18 -4.92 118.16 113.82 1wwx n LYS 55 Ca -0.05 -1.92 -0.12 0.00 -2.87 0.00 0.00 58.31 53.34 1wwx n LYS 55 Cb 0.75 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.49 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 1.08 -2.65 -0.04 1.97 5.02 0.13 -4.81 118.16 118.85 1wwx n LYS 56 Ca 0.18 0.29 -0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1wwx n LYS 56 Cb 0.47 -4.87 -0.12 0.00 -0.02 0.00 0.00 35.03 30.50 1wwx n LYS 56 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1wwx h ASN 57 N -0.28 0.09 0.00 4.39 -1.24 -1.81 -3.47 115.58 113.26 1wwx h ASN 57 Ca -0.23 -0.77 0.00 0.00 0.71 0.00 0.00 56.30 56.01 1wwx h ASN 57 Cb 1.16 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.18 1wwx h ASN 57 CO 0.29 0.85 0.00 -0.67 -1.29 0.00 0.00 177.43 176.61 1wwx n ASP 58 N -4.63 0.00 -1.98 1.15 -0.08 -1.26 -4.70 116.55 105.04 1wwx n ASP 58 Ca -0.09 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 52.99 1wwx n ASP 58 Cb 0.43 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.07 1wwx n ASP 58 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wwx n ARG 59 N 0.00 2.17 -2.83 -0.67 1.74 -1.26 -4.99 116.66 110.83 1wwx n ARG 59 Ca 0.00 -3.07 -0.39 0.00 -0.77 0.00 0.00 57.85 53.61 1wwx n ARG 59 Cb 0.00 -2.10 -0.06 0.00 -1.02 0.00 0.00 32.46 29.28 1wwx n ARG 59 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1wwx s MET 60 N -3.31 4.72 -0.27 5.56 1.75 -1.26 -4.99 119.30 121.50 1wwx s MET 60 Ca 0.54 1.36 -0.24 0.00 -1.25 0.00 0.00 55.69 56.10 1wwx s MET 60 Cb 0.46 -3.19 0.07 0.00 2.84 0.00 0.00 34.83 35.01 1wwx s MET 60 CO 0.08 0.49 0.71 -0.08 -0.65 0.00 0.00 175.02 175.57 1wwx s THR 61 N -1.25 -0.00 0.27 10.11 -1.32 -1.26 -4.55 115.64 117.64 1wwx s THR 61 Ca 0.41 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.02 1wwx s THR 61 Cb -0.24 -0.99 0.28 0.00 -1.51 0.00 0.00 72.50 70.05 1wwx s THR 61 CO 0.29 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.90 1wwx n TYR 62 N 2.76 0.80 -0.14 9.09 9.36 -1.26 0.16 117.16 137.93 1wwx n TYR 62 Ca -0.14 0.91 -0.04 0.00 3.32 0.00 0.00 57.90 61.95 1wwx n TYR 62 Cb 0.55 -1.26 0.03 0.00 -0.63 0.00 0.00 39.34 38.03 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 0.05 0.19 2.98 4.81 -1.95 0.18 114.58 120.83 1wwx h GLU 63 Ca 0.60 -0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.58 1wwx h GLU 63 Cb 1.54 -0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.93 1wwx h GLU 63 CO -0.62 0.04 -1.13 0.87 -0.73 0.00 0.00 179.01 177.44 1wwx h LYS 64 N 0.05 0.40 -0.54 1.92 1.57 0.12 -3.34 116.57 116.75 1wwx h LYS 64 Ca 0.22 -0.68 0.10 0.00 -1.87 0.00 0.00 60.65 58.42 1wwx h LYS 64 Cb 0.33 0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.80 1wwx h LYS 64 CO -0.41 1.32 0.04 1.25 -0.57 0.00 0.00 179.45 181.08 1wwx h LEU 65 N -0.16 -0.15 -1.12 2.94 6.46 -0.41 -0.18 115.31 122.69 1wwx h LEU 65 Ca -0.20 0.12 0.32 0.00 -0.12 0.00 0.00 57.88 58.00 1wwx h LEU 65 Cb 1.87 0.20 -0.13 0.00 -0.73 0.00 0.00 40.66 41.86 1wwx h LEU 65 CO 0.20 -0.05 0.63 0.77 -0.62 0.00 0.00 178.44 179.37 1wwx h SER 66 N 0.16 0.48 -0.99 1.25 4.64 -0.78 0.23 113.55 118.54 1wwx h SER 66 Ca 0.28 0.16 0.34 0.00 -0.47 0.00 0.00 61.79 62.10 1wwx h SER 66 Cb 0.42 0.11 -0.16 0.00 -0.31 0.00 0.00 62.40 62.45 1wwx h SER 66 CO -0.42 -0.08 0.49 0.08 -0.87 0.00 0.00 176.83 176.03 1wwx h ARG 67 N 0.33 0.18 0.03 4.77 0.11 -1.18 0.94 114.38 119.56 1wwx h ARG 67 Ca 0.72 -0.01 -0.22 0.00 0.10 0.00 0.00 59.98 60.56 1wwx h ARG 67 Cb 1.74 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.77 1wwx h ARG 67 CO -0.52 0.12 -0.98 0.00 0.10 0.00 0.00 179.97 178.69 1wwx h ALA 68 N 1.90 0.37 -0.53 0.08 0.00 -0.69 -1.94 119.26 118.45 1wwx h ALA 68 Ca 0.75 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wwx h ALA 68 Cb 1.78 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1wwx h ALA 68 CO -0.69 0.90 0.20 -0.07 0.00 0.00 0.00 179.25 179.60 1wwx h LEU 69 N 0.14 0.73 0.00 0.00 3.38 0.85 -1.39 115.31 119.03 1wwx h LEU 69 Ca -0.07 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wwx h LEU 69 Cb 1.64 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1wwx h LEU 69 CO 0.16 0.71 -0.16 0.03 0.09 0.00 0.00 178.44 179.27 1wwx h ARG 70 N 0.71 0.00 0.00 1.13 3.08 -0.95 -3.21 114.38 115.14 1wwx h ARG 70 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1wwx h ARG 70 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1wwx h ARG 70 CO -0.01 0.00 -0.36 -0.92 -1.07 0.00 0.00 179.97 177.61 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 3.20 -0.90 -3.24 116.97 119.07 1wwx h TYR 71 Ca 0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1wwx h TYR 71 Cb 0.86 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1wwx h TYR 71 CO 0.00 0.19 -0.43 1.88 -1.64 0.00 0.00 178.16 178.16 1wwx h TYR 72 N 0.00 0.00 -0.08 -3.82 0.05 -1.26 -2.99 116.97 108.86 1wwx h TYR 72 Ca -0.01 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1wwx h TYR 72 Cb 1.16 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.89 1wwx h TYR 72 CO 0.00 0.43 0.13 1.88 -1.05 0.00 0.00 178.16 179.55 1wwx h TYR 73 N 0.00 0.00 0.09 4.88 0.05 -1.69 0.25 116.97 120.56 1wwx h TYR 73 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 1wwx h TYR 73 Cb 0.99 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.75 1wwx h TYR 73 CO 0.00 0.00 -0.80 0.87 -1.05 0.00 0.00 178.16 177.18 1wwx h LYS 74 N 0.00 0.38 -0.00 4.88 1.57 -1.73 -3.26 116.57 118.41 1wwx h LYS 74 Ca 0.04 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1wwx h LYS 74 Cb 0.29 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1wwx h LYS 74 CO -0.00 1.21 -0.09 0.25 -0.57 0.00 0.00 179.45 180.25 1wwx n THR 75 N -4.12 0.00 0.00 -0.16 -2.24 -0.60 -4.90 114.28 102.26 1wwx n THR 75 Ca -0.13 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1wwx n THR 75 Cb 0.79 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 2.29 0.31 3.38 0.00 0.80 -4.78 105.19 108.60 1wwx n GLY 76 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 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 0.42 -5.39 -0.61 1.08 -1.76 -3.27 117.51 107.98 1wwx h ILE 77 Ca 0.00 -0.12 -0.45 0.00 -0.39 0.00 0.00 64.86 63.91 1wwx h ILE 77 Cb 0.00 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 33.75 1wwx h ILE 77 CO 0.00 0.06 -0.22 0.18 -0.69 0.00 0.00 178.15 177.49 1wwx n LEU 78 N -5.09 0.00 -4.05 1.44 4.32 -1.22 0.58 117.00 112.99 1wwx n LEU 78 Ca 0.23 -2.21 -0.26 0.00 -0.02 0.00 0.00 56.01 53.74 1wwx n LEU 78 Cb 0.69 -0.02 -0.17 0.00 -1.62 0.00 0.00 43.42 42.31 1wwx n LEU 78 CO 0.11 -0.50 -0.48 -0.70 -1.22 0.00 0.00 177.39 174.59 1wwx s GLU 79 N -3.72 1.96 -0.31 3.23 -6.30 0.47 -3.71 118.70 110.32 1wwx s GLU 79 Ca 0.23 -0.49 -0.29 0.00 -2.50 0.00 0.00 54.97 51.92 1wwx s GLU 79 Cb -0.02 -1.62 -0.02 0.00 0.00 0.00 0.00 34.13 32.48 1wwx s GLU 79 CO 0.14 0.02 1.77 0.50 0.02 0.00 0.00 175.26 177.71 1wwx s ARG 80 N 0.73 3.42 -0.02 4.30 3.52 -1.26 -4.09 118.95 125.55 1wwx s ARG 80 Ca -0.13 1.48 0.04 0.00 -0.13 0.00 0.00 55.73 56.99 1wwx s ARG 80 Cb -0.16 -4.17 -0.03 0.00 -1.56 0.00 0.00 34.95 29.03 1wwx s ARG 80 CO 0.03 -1.75 -0.13 0.08 -0.81 0.00 0.00 175.30 172.72 1wwx s VAL 81 N 6.56 3.17 -0.70 7.11 1.01 -1.26 -5.03 120.40 131.26 1wwx s VAL 81 Ca 0.79 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1wwx s VAL 81 Cb -0.23 -2.29 0.35 0.00 0.00 0.00 0.00 36.38 34.21 1wwx s VAL 81 CO 0.33 0.50 2.11 0.47 0.00 0.00 0.00 175.10 178.51 1wwx n ASP 82 N 2.01 7.43 -2.73 3.32 9.92 -1.26 -4.94 116.55 130.30 1wwx n ASP 82 Ca -0.17 -3.70 -0.09 0.00 -0.53 0.00 0.00 54.79 50.30 1wwx n ASP 82 Cb 0.52 -1.05 -0.02 0.00 -0.64 0.00 0.00 41.12 39.93 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 -0.48 1.60 -3.69 -1.24 1.74 -1.26 -5.12 116.66 108.21 1wwx n ARG 83 Ca 0.55 -1.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.20 1wwx n ARG 83 Cb 0.45 0.30 -0.12 0.00 -1.02 0.00 0.00 32.46 32.07 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 -2.52 2.90 -1.58 5.56 6.06 -1.26 -4.51 118.95 123.61 1wwx s ARG 84 Ca 0.00 -1.01 -0.04 0.00 -2.50 0.00 0.00 55.73 52.18 1wwx s ARG 84 Cb 0.00 -3.53 0.00 0.00 0.06 0.00 0.00 34.95 31.48 1wwx s ARG 84 CO 0.00 -0.59 0.59 1.28 -2.50 0.00 0.00 175.30 174.09 1wwx n LEU 85 N 4.90 -2.68 -3.94 -0.88 4.32 -1.26 -4.89 117.00 112.57 1wwx n LEU 85 Ca -0.13 -0.28 -0.30 0.00 -0.02 0.00 0.00 56.01 55.28 1wwx n LEU 85 Cb 0.46 -2.99 -0.15 0.00 -1.62 0.00 0.00 43.42 39.12 1wwx n LEU 85 CO 0.33 0.22 -0.41 -0.69 -1.22 0.00 0.00 177.39 175.62 1wwx s VAL 86 N -3.18 1.58 0.40 4.08 1.01 -1.26 -0.50 120.40 122.53 1wwx s VAL 86 Ca 0.29 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 60.98 1wwx s VAL 86 Cb -0.13 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1wwx s VAL 86 CO 0.36 -0.20 0.18 -0.31 0.00 0.00 0.00 175.10 175.14 1wwx s TYR 87 N 1.35 2.63 -0.18 5.22 1.51 -0.40 -4.62 117.35 122.86 1wwx s TYR 87 Ca -0.03 -0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 55.40 1wwx s TYR 87 Cb -0.19 -1.90 0.06 0.00 -0.11 0.00 0.00 41.96 39.82 1wwx s TYR 87 CO -0.08 0.20 0.42 0.21 -1.11 0.00 0.00 175.55 175.19 1wwx s LYS 88 N -3.91 0.40 0.03 -0.62 2.20 -1.26 -0.84 119.74 115.75 1wwx s LYS 88 Ca 0.41 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 1wwx s LYS 88 Cb 0.02 -0.00 -0.06 0.00 -1.51 0.00 0.00 37.83 36.27 1wwx s LYS 88 CO 0.23 -0.16 1.46 -0.06 -0.36 0.00 0.00 175.35 176.45 1wwx s PHE 89 N 1.47 2.79 0.00 4.03 0.08 -1.09 0.18 117.98 125.43 1wwx s PHE 89 Ca -0.09 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.67 1wwx s PHE 89 Cb -0.08 -3.73 0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1wwx s PHE 89 CO -0.13 -2.77 0.00 0.41 -0.10 0.00 0.00 175.22 172.63 1wwx n GLY 90 N 3.71 -0.91 0.03 4.36 0.00 0.20 -4.74 105.19 107.84 1wwx n GLY 90 Ca 0.14 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 0.34 0.18 1.61 2.85 -1.23 -4.09 118.16 117.83 1wwx n LYS 91 Ca 0.00 -0.03 0.05 0.00 -1.05 0.00 0.00 58.31 57.28 1wwx n LYS 91 Cb 0.00 -1.59 0.34 0.00 -0.65 0.00 0.00 35.03 33.13 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 0.00 -3.61 -5.58 2.35 -1.80 -3.44 115.58 103.51 1wwx h ASN 92 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1wwx h ASN 92 Cb 0.77 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.14 1wwx h ASN 92 CO 0.00 0.40 0.43 0.00 -1.65 0.00 0.00 177.43 176.61 1wwx s ALA 93 N -3.72 3.34 -0.06 -0.83 0.00 -1.26 -4.87 121.76 114.36 1wwx s ALA 93 Ca -0.01 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1wwx s ALA 93 Cb 0.12 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.94 1wwx s ALA 93 CO 0.70 -0.10 -0.08 -3.38 0.00 0.00 0.00 175.76 172.89 1wwx s HIS 94 N -0.37 1.16 0.00 0.00 -3.43 -1.26 -4.83 115.29 106.55 1wwx s HIS 94 Ca 0.47 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.31 1wwx s HIS 94 Cb -0.28 -0.92 0.00 0.00 -1.43 0.00 0.00 32.58 29.95 1wwx s HIS 94 CO 0.34 -0.27 0.00 0.41 -2.00 0.00 0.00 174.74 173.21 1wwx n GLY 95 N 4.09 2.14 0.10 -1.38 0.00 -1.26 -4.98 105.19 103.90 1wwx n GLY 95 Ca -0.22 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.97 1.61 5.08 -1.99 -3.48 115.95 115.20 1wwx h TRP 96 Ca 0.00 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 1wwx h TRP 96 Cb 0.00 0.00 0.24 0.00 -3.00 0.00 0.00 29.16 26.40 1wwx h TRP 96 CO 0.00 1.29 -1.56 0.00 -1.28 0.00 0.00 178.44 176.89 1wwx n GLN 97 N -4.46 -1.07 -2.15 0.12 10.64 -1.26 -4.92 117.38 114.27 1wwx n GLN 97 Ca -0.28 -0.30 -0.27 0.00 -1.83 0.00 0.00 57.00 54.31 1wwx n GLN 97 Cb 0.62 -1.49 0.02 0.00 -0.86 0.00 0.00 30.24 28.53 1wwx n GLN 97 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1wwx n GLU 98 N -0.67 3.41 -3.60 2.61 0.28 -1.26 -5.01 120.64 116.40 1wwx n GLU 98 Ca 0.00 -4.20 -0.07 0.00 -0.16 0.00 0.00 57.16 52.73 1wwx n GLU 98 Cb 0.66 -2.27 -0.04 0.00 1.43 0.00 0.00 31.44 31.22 1wwx n GLU 98 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1wwx s ASP 99 N -3.26 -0.23 0.58 -1.84 -4.77 -1.26 -5.15 116.67 100.73 1wwx s ASP 99 Ca 0.51 0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.98 1wwx s ASP 99 Cb 0.42 0.19 0.00 0.00 -1.09 0.00 0.00 42.92 42.44 1wwx s ASP 99 CO -0.09 -0.23 0.00 1.17 0.70 0.00 0.00 175.17 176.72 1wwx n LYS 100 N 0.55 -3.81 -3.31 2.11 4.81 -1.26 -4.98 118.16 112.27 1wwx n LYS 100 Ca -0.06 2.99 -0.11 0.00 -0.87 0.00 0.00 58.31 60.27 1wwx n LYS 100 Cb 0.58 -3.84 -0.05 0.00 0.02 0.00 0.00 35.03 31.74 1wwx n LYS 100 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1wwx s LEU 101 N -5.72 -0.58 0.58 3.14 2.96 -1.26 -4.91 118.68 112.90 1wwx s LEU 101 Ca 0.00 -1.31 0.00 0.00 -0.22 0.00 0.00 54.13 52.60 1wwx s LEU 101 Cb 0.00 1.06 0.00 0.00 0.50 0.00 0.00 46.19 47.75 1wwx s LEU 101 CO 0.00 -0.22 0.00 -0.24 -1.32 0.00 0.00 176.35 174.57 1wwx n SER 102 N 4.28 -7.47 0.00 3.68 2.88 -1.26 -5.06 113.62 110.68 1wwx n SER 102 Ca 0.11 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1wwx n SER 102 Cb 0.49 -4.68 0.00 0.00 -0.75 0.00 0.00 64.21 59.28 1wwx n SER 102 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwx n GLY 103 N -3.85 0.87 3.65 0.46 0.00 -1.26 -5.13 105.19 99.92 1wwx n GLY 103 Ca -0.07 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1wwx n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wwx s PRO 104 N 0.35 -0.10 0.03 1.61 0.04 -1.26 -5.09 135.00 130.59 1wwx s PRO 104 Ca 0.00 0.34 -0.27 0.00 0.04 0.00 0.00 61.00 61.11 1wwx s PRO 104 Cb 0.00 -1.69 0.09 0.00 0.04 0.00 0.00 34.50 32.94 1wwx s PRO 104 CO 0.00 -3.05 0.81 0.45 0.04 0.00 0.00 177.00 175.26 1wwx s SER 105 N -3.56 -0.43 0.33 6.66 0.15 -1.26 -5.19 113.70 110.40 1wwx s SER 105 Ca 0.67 0.05 0.05 0.00 0.70 0.00 0.00 55.95 57.42 1wwx s SER 105 Cb -0.16 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1wwx s SER 105 CO 0.57 -0.69 0.21 -0.94 1.20 0.00 0.00 173.24 173.59 1wwx s SER 106 N -2.42 1.74 0.00 5.45 1.04 -1.26 -5.35 113.70 112.90 1wwx s SER 106 Ca 0.03 -1.66 0.01 0.00 0.48 0.00 0.00 55.95 54.81 1wwx s SER 106 Cb -0.01 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 1wwx s SER 106 CO -0.09 -0.98 0.54 0.61 0.98 0.00 0.00 173.24 174.31