#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 -0.02 0.15 1.61 0.15 -1.26 -5.03 113.70 109.30 1wwx s SER 2 Ca 0.00 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1wwx s SER 2 Cb 0.00 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1wwx s SER 2 CO 0.00 -0.06 0.00 -1.54 1.20 0.00 0.00 173.24 172.84 1wwx n SER 3 N 3.51 -0.33 0.00 5.45 3.41 -1.26 -5.10 113.62 119.31 1wwx n SER 3 Ca -0.18 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1wwx n SER 3 Cb 0.56 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1wwx n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wwx n GLY 4 N 1.13 0.72 3.28 5.00 0.00 -1.26 -5.14 105.19 108.93 1wwx n GLY 4 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1wwx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wwx s SER 5 N 0.00 4.08 -0.24 1.61 0.15 -1.26 -4.99 113.70 113.05 1wwx s SER 5 Ca 0.00 -0.43 -0.18 0.00 0.70 0.00 0.00 55.95 56.04 1wwx s SER 5 Cb 0.00 -1.69 -0.16 0.00 -1.71 0.00 0.00 66.02 62.46 1wwx s SER 5 CO 0.00 -0.00 -0.05 -0.24 1.20 0.00 0.00 173.24 174.14 1wwx n SER 6 N 4.67 1.91 0.00 5.45 2.88 -1.26 -5.02 113.62 122.25 1wwx n SER 6 Ca -0.19 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1wwx n SER 6 Cb 0.51 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 1.35 3.09 3.12 0.46 0.00 -1.26 -4.98 105.19 106.98 1wwx n GLY 7 Ca -0.43 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1wwx n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwx s SER 8 N 0.00 4.80 0.73 1.61 0.01 -1.26 -5.11 113.70 114.48 1wwx s SER 8 Ca 0.00 -1.47 -0.11 0.00 1.31 0.00 0.00 55.95 55.68 1wwx s SER 8 Cb 0.00 -1.67 0.03 0.00 0.21 0.00 0.00 66.02 64.58 1wwx s SER 8 CO 0.00 -0.28 1.07 -0.44 0.41 0.00 0.00 173.24 174.00 1wwx s SER 9 N 1.24 5.10 -0.24 2.44 0.01 -1.26 -5.08 113.70 115.91 1wwx s SER 9 Ca -0.03 1.49 -0.19 0.00 1.31 0.00 0.00 55.95 58.53 1wwx s SER 9 Cb -0.20 -2.32 0.07 0.00 0.21 0.00 0.00 66.02 63.77 1wwx s SER 9 CO -0.03 -1.60 0.62 -1.00 0.41 0.00 0.00 173.24 171.64 1wwx s HIS 10 N -3.09 -0.78 0.07 2.43 3.76 -1.26 -5.07 115.29 111.34 1wwx s HIS 10 Ca 0.59 1.76 -0.37 0.00 -0.15 0.00 0.00 55.06 56.89 1wwx s HIS 10 Cb -0.14 0.35 -0.19 0.00 1.11 0.00 0.00 32.58 33.71 1wwx s HIS 10 CO 0.55 -0.39 1.57 1.25 -0.85 0.00 0.00 174.74 176.87 1wwx h LEU 11 N 5.86 -1.27 -1.69 0.89 5.85 -1.99 -1.72 115.31 121.25 1wwx h LEU 11 Ca -0.30 0.08 0.51 0.00 0.84 0.00 0.00 57.88 59.01 1wwx h LEU 11 Cb 1.19 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 42.49 1wwx h LEU 11 CO 0.14 -0.74 1.12 4.11 -0.34 0.00 0.00 178.44 182.74 1wwx h TRP 12 N -1.17 0.26 0.03 1.25 5.08 -1.97 1.01 115.95 120.44 1wwx h TRP 12 Ca -0.10 0.01 -0.15 0.00 1.08 0.00 0.00 58.89 59.73 1wwx h TRP 12 Cb 0.95 -0.06 0.01 0.00 -3.00 0.00 0.00 29.16 27.06 1wwx h TRP 12 CO -0.13 -0.13 -0.62 0.93 -1.28 0.00 0.00 178.44 177.20 1wwx h GLU 13 N 0.02 0.37 0.40 0.12 5.08 -1.80 -2.55 114.58 116.23 1wwx h GLU 13 Ca 0.89 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 1wwx h GLU 13 Cb 3.20 0.13 0.00 0.00 0.50 0.00 0.00 28.75 32.59 1wwx h GLU 13 CO -0.24 1.12 -0.19 0.35 -1.00 0.00 0.00 179.01 179.05 1wwx h PHE 14 N -0.18 -0.50 -0.55 4.33 3.04 0.18 0.20 116.94 123.46 1wwx h PHE 14 Ca -0.08 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.88 1wwx h PHE 14 Cb 1.36 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 40.00 1wwx h PHE 14 CO 0.16 -0.26 0.36 -0.24 -2.02 0.00 0.00 178.31 176.31 1wwx h VAL 15 N -0.63 1.07 -0.08 1.41 3.04 -1.11 -2.38 116.25 117.57 1wwx h VAL 15 Ca -0.05 -0.22 -0.06 0.00 -1.01 0.00 0.00 66.70 65.36 1wwx h VAL 15 Cb 0.46 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1wwx h VAL 15 CO 0.09 0.12 -0.17 -0.09 -1.01 0.00 0.00 177.57 176.51 1wwx h ARG 16 N 0.64 0.25 -0.92 4.17 2.43 -1.19 -3.17 114.38 116.58 1wwx h ARG 16 Ca 0.22 -0.17 0.16 0.00 -0.81 0.00 0.00 59.98 59.38 1wwx h ARG 16 Cb 0.08 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.57 1wwx h ARG 16 CO -0.06 0.76 0.59 0.22 -1.51 0.00 0.00 179.97 179.97 1wwx h ASP 17 N -0.22 0.65 -0.57 -3.80 1.82 -0.20 0.93 116.42 115.04 1wwx h ASP 17 Ca 0.00 0.05 0.04 0.00 -0.39 0.00 0.00 57.03 56.73 1wwx h ASP 17 Cb 0.75 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 1wwx h ASP 17 CO 0.04 0.30 0.38 -0.07 -1.61 0.00 0.00 179.24 178.28 1wwx h LEU 18 N 0.68 0.55 -0.99 2.28 3.38 -1.41 0.39 115.31 120.19 1wwx h LEU 18 Ca 0.48 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.33 1wwx h LEU 18 Cb 0.81 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1wwx h LEU 18 CO -0.23 0.38 -0.48 -0.07 0.09 0.00 0.00 178.44 178.13 1wwx h LEU 19 N 0.64 0.06 -1.16 1.67 3.38 -0.86 -2.73 115.31 116.31 1wwx h LEU 19 Ca 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1wwx h LEU 19 Cb 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wwx h LEU 19 CO -0.06 0.53 -0.23 0.18 0.09 0.00 0.00 178.44 178.95 1wwx n LEU 20 N -3.97 2.03 -3.75 1.67 4.77 -0.36 -4.61 117.00 112.78 1wwx n LEU 20 Ca -0.02 -0.69 -0.28 0.00 -0.03 0.00 0.00 56.01 54.99 1wwx n LEU 20 Cb 0.50 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 1wwx n LEU 20 CO 0.41 0.36 -0.13 -0.44 -1.33 0.00 0.00 177.39 176.25 1wwx s SER 21 N -2.28 3.81 0.00 -1.43 0.01 0.12 -4.92 113.70 109.01 1wwx s SER 21 Ca 0.25 -3.50 0.14 0.00 1.31 0.00 0.00 55.95 54.15 1wwx s SER 21 Cb 0.19 -1.27 0.61 0.00 0.21 0.00 0.00 66.02 65.76 1wwx s SER 21 CO 0.45 -0.13 1.45 -0.81 0.41 0.00 0.00 173.24 174.61 1wwx n PRO 22 N 2.39 0.01 0.09 12.44 -0.04 -1.26 -1.65 135.00 146.98 1wwx n PRO 22 Ca 0.21 0.25 -0.03 0.00 -0.04 0.00 0.00 63.50 63.89 1wwx n PRO 22 Cb 0.38 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1wwx n PRO 22 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wwx h GLU 23 N 0.00 0.00 0.00 0.54 4.22 -1.91 -3.36 114.58 114.07 1wwx h GLU 23 Ca 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 59.36 59.05 1wwx h GLU 23 Cb 0.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 1wwx h GLU 23 CO 0.00 0.76 -2.48 0.39 -2.18 0.00 0.00 179.01 175.51 1wwx n GLU 24 N -3.28 0.65 -2.55 1.92 -0.58 -1.00 -4.93 120.64 110.85 1wwx n GLU 24 Ca 0.00 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.48 1wwx n GLU 24 Cb 0.85 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 30.18 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 -6.54 7.20 -0.67 1.62 2.47 -0.66 -5.00 114.94 113.36 1wwx s ASN 25 Ca -0.35 1.83 0.01 0.00 0.42 0.00 0.00 52.86 54.77 1wwx s ASN 25 Cb 0.09 -2.57 0.17 0.00 -1.45 0.00 0.00 41.25 37.49 1wwx s ASN 25 CO 0.59 -0.40 0.47 0.00 -3.72 0.00 0.00 177.10 174.05 1wwx n GLY 27 N 2.72 -0.28 0.08 0.00 0.00 -1.26 -4.87 105.19 101.58 1wwx n GLY 27 Ca 0.13 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.41 1.13 -4.29 -0.61 5.41 -1.26 -4.38 119.36 110.96 1wwx n ILE 28 Ca -0.23 -0.72 -0.15 0.00 1.00 0.00 0.00 62.75 62.64 1wwx n ILE 28 Cb 0.65 -0.52 -0.10 0.00 -0.71 0.00 0.00 39.64 38.96 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 -5.23 1.51 -0.01 1.39 1.43 -1.26 -1.97 118.68 114.54 1wwx s LEU 29 Ca -0.08 -1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 51.58 1wwx s LEU 29 Cb 0.05 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.41 1wwx s LEU 29 CO 0.71 -0.77 0.08 -1.61 0.23 0.00 0.00 176.35 174.99 1wwx s GLU 30 N -4.05 0.26 -0.69 1.70 2.02 -0.21 -4.81 118.70 112.92 1wwx s GLU 30 Ca 0.38 -0.17 -0.22 0.00 0.02 0.00 0.00 54.97 54.98 1wwx s GLU 30 Cb 0.07 0.11 0.08 0.00 0.10 0.00 0.00 34.13 34.49 1wwx s GLU 30 CO 0.14 -0.05 0.97 -1.58 0.02 0.00 0.00 175.26 174.75 1wwx s TRP 31 N -0.67 2.76 0.15 1.61 0.23 -1.26 -0.67 118.94 121.10 1wwx s TRP 31 Ca -0.07 -0.71 0.07 0.00 -2.03 0.00 0.00 56.10 53.35 1wwx s TRP 31 Cb -0.05 -4.27 -0.08 0.00 0.03 0.00 0.00 33.47 29.11 1wwx s TRP 31 CO 0.00 -1.60 1.35 0.93 0.96 0.00 0.00 176.95 178.60 1wwx h GLU 32 N 9.43 0.03 -1.23 4.98 4.39 -1.24 -3.44 114.58 127.50 1wwx h GLU 32 Ca -0.22 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.48 1wwx h GLU 32 Cb 1.06 0.01 -0.23 0.00 -0.10 0.00 0.00 28.75 29.50 1wwx h GLU 32 CO 1.17 0.93 -0.30 -0.51 -1.16 0.00 0.00 179.01 179.13 1wwx s ASP 33 N -6.78 -1.08 0.12 1.42 1.01 -0.05 -4.91 116.67 106.40 1wwx s ASP 33 Ca -0.00 0.81 -0.11 0.00 0.71 0.00 0.00 52.55 53.96 1wwx s ASP 33 Cb 0.10 1.98 -0.10 0.00 1.01 0.00 0.00 42.92 45.91 1wwx s ASP 33 CO 0.81 -0.26 1.35 -0.09 0.21 0.00 0.00 175.17 177.19 1wwx h ARG 34 N 8.03 0.77 0.18 8.23 9.65 -1.86 0.60 114.38 139.99 1wwx h ARG 34 Ca -0.22 -0.59 -0.01 0.00 -1.10 0.00 0.00 59.98 58.06 1wwx h ARG 34 Cb 1.16 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 1wwx h ARG 34 CO 0.25 1.20 -0.09 0.93 2.80 0.00 0.00 179.97 185.07 1wwx h GLU 35 N 0.55 -0.23 -0.03 0.20 3.07 -1.96 -3.24 114.58 112.94 1wwx h GLU 35 Ca -0.03 0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.65 1wwx h GLU 35 Cb 1.32 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 1wwx h GLU 35 CO 0.15 0.09 -0.81 1.96 -1.40 0.00 0.00 179.01 179.00 1wwx h GLN 36 N -0.57 0.32 0.00 2.33 4.20 -1.98 -3.46 115.11 115.95 1wwx h GLN 36 Ca -0.02 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1wwx h GLN 36 Cb 0.43 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wwx h GLN 36 CO 0.04 0.97 0.00 0.41 -0.67 0.00 0.00 178.83 179.58 1wwx n GLY 37 N 0.71 1.12 3.75 3.46 0.00 0.19 -4.76 105.19 109.66 1wwx n GLY 37 Ca -0.04 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 4.69 0.06 -0.61 1.01 -0.06 -2.87 121.20 121.42 1wwx s ILE 38 Ca 0.00 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.33 1wwx s ILE 38 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1wwx s ILE 38 CO 0.00 0.37 -0.06 0.72 0.00 0.00 0.00 174.94 175.98 1wwx s PHE 39 N -0.13 0.68 0.13 3.97 -0.71 0.64 -0.69 117.98 121.87 1wwx s PHE 39 Ca 0.39 -0.80 0.09 0.00 -1.04 0.00 0.00 56.93 55.57 1wwx s PHE 39 Cb -0.21 -0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 41.14 1wwx s PHE 39 CO 0.24 -0.19 -0.16 0.50 -1.34 0.00 0.00 175.22 174.26 1wwx s ARG 40 N -3.02 1.84 -1.09 1.99 3.52 0.16 -0.79 118.95 121.56 1wwx s ARG 40 Ca 0.02 -1.20 -0.08 0.00 -0.13 0.00 0.00 55.73 54.34 1wwx s ARG 40 Cb 0.00 -2.12 0.27 0.00 -1.56 0.00 0.00 34.95 31.55 1wwx s ARG 40 CO -0.04 0.47 1.09 0.28 -0.81 0.00 0.00 175.30 176.29 1wwx n VAL 41 N 0.62 4.40 -0.23 7.11 0.31 0.56 -1.04 118.33 130.07 1wwx n VAL 41 Ca -0.14 -5.38 0.03 0.00 -0.01 0.00 0.00 64.34 58.84 1wwx n VAL 41 Cb 0.53 -2.54 0.14 0.00 -0.91 0.00 0.00 33.84 31.07 1wwx n VAL 41 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1wwx h VAL 42 N 3.68 0.60 -3.49 2.52 2.07 -1.68 -3.27 116.25 116.68 1wwx h VAL 42 Ca 0.18 -0.10 -0.68 0.00 0.82 0.00 0.00 66.70 66.92 1wwx h VAL 42 Cb 0.85 0.28 -0.37 0.00 -1.52 0.00 0.00 31.29 30.53 1wwx h VAL 42 CO 1.01 0.05 -0.42 -0.54 0.02 0.00 0.00 177.57 177.69 1wwx s LYS 43 N -6.07 2.45 0.55 1.57 1.02 -0.86 -4.91 119.74 113.49 1wwx s LYS 43 Ca -0.13 -2.61 0.33 0.00 0.02 0.00 0.00 55.97 53.57 1wwx s LYS 43 Cb 0.19 -3.63 1.53 0.00 -0.52 0.00 0.00 37.83 35.41 1wwx s LYS 43 CO 0.75 -1.16 2.06 0.66 -0.92 0.00 0.00 175.35 176.74 1wwx h SER 44 N 6.80 0.00 0.04 2.83 4.64 -1.85 -0.97 113.55 125.04 1wwx h SER 44 Ca -0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1wwx h SER 44 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1wwx h SER 44 CO 0.71 0.07 -0.31 -0.33 -0.87 0.00 0.00 176.83 176.10 1wwx h GLU 45 N 0.00 0.08 -0.13 4.77 4.39 -1.93 -3.27 114.58 118.50 1wwx h GLU 45 Ca -0.00 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1wwx h GLU 45 Cb 0.40 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1wwx h GLU 45 CO 0.01 1.06 -0.30 0.00 -1.16 0.00 0.00 179.01 178.63 1wwx h ALA 46 N -0.01 1.27 0.17 3.43 0.00 -1.94 -1.99 119.26 120.19 1wwx h ALA 46 Ca -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1wwx h ALA 46 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1wwx h ALA 46 CO 0.03 0.49 -0.20 1.25 0.00 0.00 0.00 179.25 180.82 1wwx h LEU 47 N 0.21 -0.55 0.07 0.00 5.85 -1.29 -1.20 115.31 118.39 1wwx h LEU 47 Ca 0.03 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1wwx h LEU 47 Cb 0.64 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1wwx h LEU 47 CO 0.05 -0.30 -0.03 0.00 -0.34 0.00 0.00 178.44 177.81 1wwx h ALA 48 N 0.33 -0.09 -0.83 1.25 0.00 -1.59 -1.98 119.26 116.35 1wwx h ALA 48 Ca 0.01 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1wwx h ALA 48 Cb 0.41 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.10 1wwx h ALA 48 CO -0.07 -0.36 0.09 0.87 0.00 0.00 0.00 179.25 179.77 1wwx h LYS 49 N -0.48 0.12 -0.34 0.00 1.57 -1.30 0.24 116.57 116.37 1wwx h LYS 49 Ca -0.01 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1wwx h LYS 49 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1wwx h LYS 49 CO 0.02 0.08 -0.30 0.52 -0.57 0.00 0.00 179.45 179.20 1wwx h MET 50 N 0.13 0.81 0.21 3.15 2.86 -1.19 -3.18 114.93 117.72 1wwx h MET 50 Ca 0.49 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1wwx h MET 50 Cb 0.92 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1wwx h MET 50 CO -0.70 1.04 -0.28 2.35 1.06 0.00 0.00 176.91 180.38 1wwx h TRP 51 N 0.59 -0.76 -0.65 -0.22 -0.00 0.15 -2.77 115.95 112.29 1wwx h TRP 51 Ca 0.06 0.01 0.13 0.00 -0.00 0.00 0.00 58.89 59.09 1wwx h TRP 51 Cb 0.87 0.31 -0.12 0.00 -0.00 0.00 0.00 29.16 30.22 1wwx h TRP 51 CO 0.07 -0.40 -0.19 0.78 -0.00 0.00 0.00 178.44 178.70 1wwx h GLY 52 N -0.55 0.40 -0.57 2.65 0.00 -0.96 0.31 103.07 104.34 1wwx h GLY 52 Ca 0.01 0.25 0.35 0.00 0.00 0.00 0.00 47.33 47.93 1wwx h GLY 52 CO -0.11 -0.25 0.81 1.46 0.00 0.00 0.00 176.54 178.45 1wwx h GLN 53 N -0.03 0.18 -0.08 4.80 1.08 -1.47 1.57 115.11 121.17 1wwx h GLN 53 Ca 0.31 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.33 1wwx h GLN 53 Cb 0.49 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1wwx h GLN 53 CO -0.68 0.12 -0.65 0.00 -0.95 0.00 0.00 178.83 176.67 1wwx h ARG 54 N 0.19 0.34 -0.51 1.46 2.47 -0.36 -3.06 114.38 114.90 1wwx h ARG 54 Ca 0.67 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 1wwx h ARG 54 Cb 2.12 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.48 1wwx h ARG 54 CO -0.24 0.87 0.00 1.63 0.56 0.00 0.00 179.97 182.79 1wwx n LYS 55 N -3.86 2.56 -2.52 0.04 4.76 0.31 -4.94 118.16 114.52 1wwx n LYS 55 Ca -0.03 -2.37 -0.20 0.00 -2.87 0.00 0.00 58.31 52.84 1wwx n LYS 55 Cb 0.66 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.41 -2.26 -3.34 1.97 5.02 0.46 -4.91 118.16 116.50 1wwx n LYS 56 Ca 0.20 0.91 -0.45 0.00 -2.02 0.00 0.00 58.31 56.94 1wwx n LYS 56 Cb 0.58 -5.59 -0.01 0.00 -0.02 0.00 0.00 35.03 29.99 1wwx n LYS 56 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1wwx s ASN 57 N -2.15 7.18 0.61 4.39 3.84 -0.50 -4.86 114.94 123.45 1wwx s ASN 57 Ca 0.05 -3.38 0.28 0.00 0.21 0.00 0.00 52.86 50.02 1wwx s ASN 57 Cb -0.02 -2.21 1.46 0.00 -0.55 0.00 0.00 41.25 39.93 1wwx s ASN 57 CO 0.06 -0.36 1.86 -2.24 -2.79 0.00 0.00 177.10 173.64 1wwx h ASP 58 N 6.93 0.00 -0.82 -4.21 2.03 -1.91 0.50 116.42 118.94 1wwx h ASP 58 Ca 0.16 0.00 -0.41 0.00 -0.73 0.00 0.00 57.03 56.05 1wwx h ASP 58 Cb 0.91 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.17 1wwx h ASP 58 CO 0.95 0.00 0.52 0.54 -1.03 0.00 0.00 179.24 180.22 1wwx n ARG 59 N -3.49 2.21 -3.00 4.15 1.74 -1.26 -4.94 116.66 112.07 1wwx n ARG 59 Ca 0.06 -2.55 -0.40 0.00 -0.77 0.00 0.00 57.85 54.20 1wwx n ARG 59 Cb 0.64 -2.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 -2.76 4.47 0.03 5.56 1.75 0.18 -5.00 119.30 123.53 1wwx s MET 60 Ca 0.48 1.02 -0.18 0.00 -1.25 0.00 0.00 55.69 55.76 1wwx s MET 60 Cb 0.40 -3.39 0.03 0.00 2.84 0.00 0.00 34.83 34.72 1wwx s MET 60 CO 0.10 0.21 0.40 -0.08 -0.65 0.00 0.00 175.02 175.00 1wwx s THR 61 N 0.22 0.06 0.19 10.11 -1.32 -1.26 -4.39 115.64 119.24 1wwx s THR 61 Ca 0.39 -0.46 -0.24 0.00 -1.21 0.00 0.00 61.69 60.16 1wwx s THR 61 Cb -0.20 -0.92 0.07 0.00 -1.51 0.00 0.00 72.50 69.95 1wwx s THR 61 CO 0.22 -0.25 1.51 0.00 -2.21 0.00 0.00 174.62 173.88 1wwx n TYR 62 N 0.60 -0.22 -0.33 9.09 9.36 -1.26 0.86 117.16 135.26 1wwx n TYR 62 Ca -0.19 1.21 0.27 0.00 3.32 0.00 0.00 57.90 62.52 1wwx n TYR 62 Cb 0.59 -0.71 0.51 0.00 -0.63 0.00 0.00 39.34 39.10 1wwx n TYR 62 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1wwx h GLU 63 N 0.00 0.01 0.00 2.98 5.08 -1.97 0.24 114.58 120.93 1wwx h GLU 63 Ca 0.24 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1wwx h GLU 63 Cb 0.49 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1wwx h GLU 63 CO -0.94 0.01 -0.01 0.87 -1.00 0.00 0.00 179.01 177.94 1wwx h LYS 64 N 0.01 0.00 -0.69 2.33 1.57 0.08 -3.35 116.57 116.51 1wwx h LYS 64 Ca 0.78 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.69 1wwx h LYS 64 Cb 1.96 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 34.14 1wwx h LYS 64 CO -0.81 0.69 -0.23 1.25 -0.57 0.00 0.00 179.45 179.78 1wwx h LEU 65 N -1.00 -0.84 -0.99 2.94 6.46 0.13 0.29 115.31 122.29 1wwx h LEU 65 Ca -0.00 0.22 0.33 0.00 -0.12 0.00 0.00 57.88 58.31 1wwx h LEU 65 Cb 0.69 0.50 -0.15 0.00 -0.73 0.00 0.00 40.66 40.96 1wwx h LEU 65 CO -0.00 -0.26 0.53 0.77 -0.62 0.00 0.00 178.44 178.86 1wwx h SER 66 N -0.05 0.43 -1.20 1.25 4.64 -0.77 0.28 113.55 118.13 1wwx h SER 66 Ca 0.31 0.20 0.45 0.00 -0.47 0.00 0.00 61.79 62.29 1wwx h SER 66 Cb 0.54 0.17 -0.16 0.00 -0.31 0.00 0.00 62.40 62.64 1wwx h SER 66 CO -0.73 -0.19 0.72 0.08 -0.87 0.00 0.00 176.83 175.84 1wwx h ARG 67 N 0.26 0.00 0.00 4.77 0.11 -0.55 1.95 114.38 120.93 1wwx h ARG 67 Ca 0.74 -0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.60 1wwx h ARG 67 Cb 1.71 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.75 1wwx h ARG 67 CO -0.64 0.00 -1.22 0.00 0.10 0.00 0.00 179.97 178.21 1wwx h ALA 68 N 1.80 0.58 -0.08 0.08 0.00 -0.58 -2.82 119.26 118.23 1wwx h ALA 68 Ca 0.87 -1.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1wwx h ALA 68 Cb 2.55 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 20.46 1wwx h ALA 68 CO -0.62 1.21 -0.41 -0.07 0.00 0.00 0.00 179.25 179.36 1wwx h LEU 69 N 0.00 0.19 0.00 0.00 3.38 0.30 -1.75 115.31 117.44 1wwx h LEU 69 Ca -0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1wwx h LEU 69 Cb 1.76 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 1wwx h LEU 69 CO 0.09 0.59 -1.04 0.54 0.09 0.00 0.00 178.44 178.71 1wwx n ARG 70 N -4.03 0.61 0.10 1.13 5.12 0.35 -3.82 116.66 116.12 1wwx n ARG 70 Ca -0.02 0.13 0.12 0.00 -1.93 0.00 0.00 57.85 56.15 1wwx n ARG 70 Cb 0.47 -1.82 0.24 0.00 -1.16 0.00 0.00 32.46 30.19 1wwx n ARG 70 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 1wwx h TYR 71 N 0.00 0.00 0.00 -1.55 5.03 -1.28 -3.26 116.97 115.91 1wwx h TYR 71 Ca -0.01 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1wwx h TYR 71 Cb 1.04 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 1wwx h TYR 71 CO 0.00 0.00 -0.28 1.88 -1.32 0.00 0.00 178.16 178.44 1wwx h TYR 72 N 0.00 0.00 0.00 -3.82 0.05 -1.42 -3.10 116.97 108.68 1wwx h TYR 72 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1wwx h TYR 72 Cb 0.79 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 1wwx h TYR 72 CO 0.00 0.28 -0.05 1.88 -1.05 0.00 0.00 178.16 179.22 1wwx h TYR 73 N 0.00 0.00 -0.10 4.88 0.05 -1.73 0.51 116.97 120.58 1wwx h TYR 73 Ca -0.00 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.54 1wwx h TYR 73 Cb 1.03 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.78 1wwx h TYR 73 CO 0.00 0.05 -0.86 0.87 -1.05 0.00 0.00 178.16 177.17 1wwx h LYS 74 N 0.00 0.74 0.00 4.88 1.57 -1.76 -3.26 116.57 118.75 1wwx h LYS 74 Ca -0.00 -0.66 -0.06 0.00 -1.87 0.00 0.00 60.65 58.06 1wwx h LYS 74 Cb 0.15 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1wwx h LYS 74 CO 0.01 1.26 -0.97 1.79 -0.57 0.00 0.00 179.45 180.97 1wwx h THR 75 N 0.48 0.22 0.00 -0.16 1.35 -1.52 -3.48 112.91 109.81 1wwx h THR 75 Ca -0.07 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1wwx h THR 75 Cb 1.49 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1wwx h THR 75 CO 0.17 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1wwx n GLY 76 N 1.24 2.33 0.33 5.82 0.00 0.17 -4.83 105.19 110.25 1wwx n GLY 76 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.24 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 0.11 -1.76 -0.61 1.08 -1.79 -3.26 117.51 111.29 1wwx h ILE 77 Ca 0.00 -0.04 -0.59 0.00 -0.39 0.00 0.00 64.86 63.84 1wwx h ILE 77 Cb 0.00 -0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.64 1wwx h ILE 77 CO 0.00 0.02 -0.58 -0.76 -0.69 0.00 0.00 178.15 176.14 1wwx s LEU 78 N -10.61 2.98 -0.13 1.44 1.43 -1.22 -0.83 118.68 111.75 1wwx s LEU 78 Ca -0.10 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1wwx s LEU 78 Cb 0.31 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 45.31 1wwx s LEU 78 CO 0.78 -0.38 -0.13 -1.61 0.23 0.00 0.00 176.35 175.24 1wwx s GLU 79 N -3.76 2.06 0.27 1.70 0.41 0.30 -4.24 118.70 115.44 1wwx s GLU 79 Ca 0.37 -0.47 -0.30 0.00 -0.41 0.00 0.00 54.97 54.15 1wwx s GLU 79 Cb 0.04 -1.91 -0.11 0.00 -1.78 0.00 0.00 34.13 30.36 1wwx s GLU 79 CO 0.20 -0.21 1.60 0.50 -0.49 0.00 0.00 175.26 176.86 1wwx s ARG 80 N 1.44 4.14 0.14 1.61 3.52 -1.26 -3.69 118.95 124.85 1wwx s ARG 80 Ca 0.03 2.55 0.10 0.00 -0.13 0.00 0.00 55.73 58.27 1wwx s ARG 80 Cb -0.13 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1wwx s ARG 80 CO -0.08 -0.63 -0.22 0.08 -0.81 0.00 0.00 175.30 173.63 1wwx s VAL 81 N 0.23 1.99 -0.44 7.11 1.01 -1.26 -5.00 120.40 124.04 1wwx s VAL 81 Ca 0.65 -1.78 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1wwx s VAL 81 Cb -0.47 -1.84 0.48 0.00 0.00 0.00 0.00 36.38 34.55 1wwx s VAL 81 CO 0.44 -0.09 1.86 0.47 0.00 0.00 0.00 175.10 177.78 1wwx n ASP 82 N 0.70 5.04 -4.54 3.32 8.00 -1.26 -4.92 116.55 122.88 1wwx n ASP 82 Ca -0.16 -3.40 -0.31 0.00 0.71 0.00 0.00 54.79 51.63 1wwx n ASP 82 Cb 0.55 -0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 40.71 1wwx n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wwx n ARG 83 N -0.70 0.79 -3.77 -1.24 1.74 -1.26 -5.13 116.66 107.09 1wwx n ARG 83 Ca 0.50 -3.58 -0.36 0.00 -0.77 0.00 0.00 57.85 53.64 1wwx n ARG 83 Cb 1.14 1.03 -0.10 0.00 -1.02 0.00 0.00 32.46 33.51 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 -3.76 4.01 -1.31 5.56 3.52 -1.26 -4.39 118.95 121.32 1wwx s ARG 84 Ca 0.02 -0.31 -0.07 0.00 -0.13 0.00 0.00 55.73 55.24 1wwx s ARG 84 Cb 0.00 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1wwx s ARG 84 CO 0.01 0.11 0.44 1.28 -0.81 0.00 0.00 175.30 176.33 1wwx n LEU 85 N 4.10 -1.75 -3.97 -0.88 4.32 -1.26 -4.88 117.00 112.69 1wwx n LEU 85 Ca -0.16 -0.28 -0.30 0.00 -0.02 0.00 0.00 56.01 55.26 1wwx n LEU 85 Cb 0.52 -2.32 -0.16 0.00 -1.62 0.00 0.00 43.42 39.83 1wwx n LEU 85 CO 0.35 0.13 -0.45 -0.69 -1.22 0.00 0.00 177.39 175.51 1wwx s VAL 86 N -2.94 1.50 0.39 4.08 1.01 -1.26 -0.32 120.40 122.85 1wwx s VAL 86 Ca 0.32 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1wwx s VAL 86 Cb -0.16 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 1wwx s VAL 86 CO 0.39 0.17 0.05 -0.31 0.00 0.00 0.00 175.10 175.40 1wwx s TYR 87 N 1.46 2.54 -0.16 5.22 1.51 0.03 -4.51 117.35 123.43 1wwx s TYR 87 Ca -0.00 -0.59 -0.09 0.00 -1.01 0.00 0.00 57.07 55.37 1wwx s TYR 87 Cb -0.16 -1.74 0.06 0.00 -0.11 0.00 0.00 41.96 40.01 1wwx s TYR 87 CO -0.08 0.40 0.40 0.21 -1.11 0.00 0.00 175.55 175.36 1wwx s LYS 88 N -3.75 0.39 0.09 -0.62 2.20 -1.24 -0.26 119.74 116.55 1wwx s LYS 88 Ca 0.36 0.75 -0.31 0.00 -0.36 0.00 0.00 55.97 56.41 1wwx s LYS 88 Cb 0.06 -0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.29 1wwx s LYS 88 CO 0.19 -0.15 1.40 -0.06 -0.36 0.00 0.00 175.35 176.37 1wwx s PHE 89 N 1.28 3.16 0.00 4.03 0.08 -1.14 0.11 117.98 125.50 1wwx s PHE 89 Ca -0.09 0.92 0.00 0.00 0.12 0.00 0.00 56.93 57.88 1wwx s PHE 89 Cb -0.08 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1wwx s PHE 89 CO -0.11 -2.42 0.00 0.41 -0.10 0.00 0.00 175.22 173.00 1wwx n GLY 90 N 3.53 -0.81 0.08 4.36 0.00 -0.01 -4.72 105.19 107.62 1wwx n GLY 90 Ca 0.12 -1.31 0.03 0.00 0.00 0.00 0.00 46.02 44.86 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 0.64 -0.01 1.61 2.85 -1.25 -4.15 118.16 117.85 1wwx n LYS 91 Ca 0.00 0.06 0.01 0.00 -1.05 0.00 0.00 58.31 57.33 1wwx n LYS 91 Cb 0.00 -1.69 0.33 0.00 -0.65 0.00 0.00 35.03 33.02 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 -4.29 -5.58 -0.26 -1.84 -3.43 115.58 100.69 1wwx h ASN 92 Ca -0.16 -0.06 -0.51 0.00 -0.56 0.00 0.00 56.30 55.01 1wwx h ASN 92 Cb 1.44 -0.13 0.09 0.00 -1.06 0.00 0.00 38.32 38.66 1wwx h ASN 92 CO 0.02 0.50 0.37 0.00 -1.06 0.00 0.00 177.43 177.26 1wwx s ALA 93 N -5.18 2.67 0.27 -0.83 0.00 -1.26 -4.91 121.76 112.52 1wwx s ALA 93 Ca -0.08 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1wwx s ALA 93 Cb 0.16 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1wwx s ALA 93 CO 0.76 -1.13 0.16 -3.38 0.00 0.00 0.00 175.76 172.16 1wwx s HIS 94 N -2.84 1.50 0.00 0.00 -3.43 -1.26 -4.84 115.29 104.41 1wwx s HIS 94 Ca 0.60 -1.38 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 1wwx s HIS 94 Cb -0.15 -0.77 0.00 0.00 -1.43 0.00 0.00 32.58 30.23 1wwx s HIS 94 CO 0.49 -0.57 0.00 0.41 -2.00 0.00 0.00 174.74 173.07 1wwx n GLY 95 N -0.49 2.46 0.19 -1.38 0.00 -1.26 -4.70 105.19 100.01 1wwx n GLY 95 Ca 0.02 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 1.05 -3.44 1.61 5.08 -1.98 -3.46 115.95 114.81 1wwx h TRP 96 Ca 0.00 -0.60 -0.54 0.00 1.08 0.00 0.00 58.89 58.83 1wwx h TRP 96 Cb 0.00 -0.11 0.21 0.00 -3.00 0.00 0.00 29.16 26.26 1wwx h TRP 96 CO 0.00 1.44 -0.45 1.04 -1.28 0.00 0.00 178.44 179.18 1wwx n GLN 97 N -3.83 -0.12 -4.23 0.12 6.02 -1.26 -5.01 117.38 109.06 1wwx n GLN 97 Ca -0.12 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.75 1wwx n GLN 97 Cb 0.92 -1.90 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 1wwx n GLN 97 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1wwx s GLU 98 N -3.49 1.03 0.34 -1.09 2.12 -1.26 -5.10 118.70 111.25 1wwx s GLU 98 Ca 0.60 -1.47 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1wwx s GLU 98 Cb -0.25 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 33.83 1wwx s GLU 98 CO 0.64 -0.07 0.00 -0.25 -0.54 0.00 0.00 175.26 175.04 1wwx n ASP 99 N -0.19 -6.10 -4.21 -1.70 9.92 -1.26 -4.62 116.55 108.39 1wwx n ASP 99 Ca -0.09 0.72 -0.41 0.00 -0.53 0.00 0.00 54.79 54.48 1wwx n ASP 99 Cb 0.62 -3.74 -0.07 0.00 -0.64 0.00 0.00 41.12 37.28 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 -3.17 2.71 -0.24 -1.24 3.01 -1.26 -5.04 119.74 114.52 1wwx s LYS 100 Ca 0.00 -2.05 0.01 0.00 -1.01 0.00 0.00 55.97 52.93 1wwx s LYS 100 Cb 0.00 -3.99 0.04 0.00 -1.01 0.00 0.00 37.83 32.87 1wwx s LYS 100 CO 0.00 -1.21 -0.13 -0.51 0.51 0.00 0.00 175.35 174.01 1wwx s LEU 101 N 0.86 3.02 -0.01 3.17 1.43 -1.26 -4.97 118.68 120.92 1wwx s LEU 101 Ca 0.10 -1.08 -0.07 0.00 -1.03 0.00 0.00 54.13 52.06 1wwx s LEU 101 Cb -0.22 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1wwx s LEU 101 CO -0.03 -0.12 -0.13 -0.24 0.23 0.00 0.00 176.35 176.06 1wwx n SER 102 N 4.54 1.38 0.00 2.29 2.88 -1.26 -5.16 113.62 118.29 1wwx n SER 102 Ca -0.17 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wwx n SER 102 Cb 0.45 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 2.72 2.65 0.22 0.46 0.00 -1.26 -4.85 105.19 105.13 1wwx n GLY 103 Ca -0.05 -1.96 0.15 0.00 0.00 0.00 0.00 46.02 44.16 1wwx n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwx h PRO 104 N 0.00 0.00 -5.97 1.61 0.13 -2.05 -3.43 132.00 122.29 1wwx h PRO 104 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 1wwx h PRO 104 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1wwx h PRO 104 CO 0.00 0.00 -0.55 -1.54 -0.23 0.00 0.00 178.00 175.68 1wwx s SER 105 N -5.08 5.91 -0.29 1.44 1.04 -1.26 -5.10 113.70 110.35 1wwx s SER 105 Ca 0.02 0.19 -0.09 0.00 0.48 0.00 0.00 55.95 56.55 1wwx s SER 105 Cb 0.09 -1.74 0.13 0.00 0.10 0.00 0.00 66.02 64.60 1wwx s SER 105 CO 0.48 0.25 0.61 -0.55 0.98 0.00 0.00 173.24 175.01 1wwx s SER 106 N -1.96 -1.04 0.00 7.02 0.15 -1.26 -5.05 113.70 111.56 1wwx s SER 106 Ca 0.26 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1wwx s SER 106 Cb -0.12 2.17 0.00 0.00 -1.71 0.00 0.00 66.02 66.35 1wwx s SER 106 CO 0.18 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.00