#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 5.86 0.02 1.61 0.15 -1.26 -3.48 113.70 116.60 1wwx s SER 2 Ca 0.00 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 54.71 1wwx s SER 2 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1wwx s SER 2 CO 0.00 -2.20 0.00 -0.24 1.20 0.00 0.00 173.24 172.00 1wwx n SER 3 N 11.61 -0.22 -3.24 5.45 2.88 -1.26 -5.07 113.62 123.78 1wwx n SER 3 Ca 0.46 0.16 -0.12 0.00 -1.33 0.00 0.00 58.87 58.05 1wwx n SER 3 Cb 0.47 0.39 0.04 0.00 -0.75 0.00 0.00 64.21 64.35 1wwx n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wwx n GLY 4 N -1.09 -1.18 3.85 0.46 0.00 -1.23 -4.99 105.19 101.01 1wwx n GLY 4 Ca 0.00 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 1wwx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wwx s SER 5 N -3.25 6.72 0.18 1.61 0.01 -1.26 -4.90 113.70 112.81 1wwx s SER 5 Ca 0.29 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.44 1wwx s SER 5 Cb -0.05 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1wwx s SER 5 CO 0.76 0.21 0.00 -1.20 0.41 0.00 0.00 173.24 173.41 1wwx n SER 6 N 1.15 -1.66 0.00 2.44 7.64 -1.26 -5.15 113.62 116.78 1wwx n SER 6 Ca -0.09 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1wwx n SER 6 Cb 0.52 1.82 0.00 0.00 -1.01 0.00 0.00 64.21 65.54 1wwx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wwx n GLY 7 N -1.46 3.47 3.97 0.23 0.00 -1.26 -4.88 105.19 105.25 1wwx n GLY 7 Ca 0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1wwx n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wwx n SER 8 N 0.00 -2.60 -4.87 1.61 7.64 -1.26 -4.92 113.62 109.23 1wwx n SER 8 Ca 0.00 -0.80 -0.22 0.00 1.01 0.00 0.00 58.87 58.87 1wwx n SER 8 Cb 0.00 -2.19 0.07 0.00 -1.01 0.00 0.00 64.21 61.08 1wwx n SER 8 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wwx s SER 9 N -3.01 4.91 -0.06 6.43 1.04 -1.26 -5.12 113.70 116.64 1wwx s SER 9 Ca 0.63 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 1wwx s SER 9 Cb -0.35 -0.34 0.03 0.00 0.10 0.00 0.00 66.02 65.46 1wwx s SER 9 CO 0.77 -1.43 0.00 -1.00 0.98 0.00 0.00 173.24 172.56 1wwx s HIS 10 N -2.87 0.55 0.11 5.02 3.76 -1.26 -5.05 115.29 115.55 1wwx s HIS 10 Ca 0.61 -0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 55.14 1wwx s HIS 10 Cb -0.08 -0.67 -0.10 0.00 1.11 0.00 0.00 32.58 32.84 1wwx s HIS 10 CO 0.40 -0.26 1.62 1.25 -0.85 0.00 0.00 174.74 176.90 1wwx h LEU 11 N 7.98 -0.93 -0.99 0.89 5.85 -1.99 -1.82 115.31 124.29 1wwx h LEU 11 Ca -0.26 0.10 0.37 0.00 0.84 0.00 0.00 57.88 58.94 1wwx h LEU 11 Cb 1.13 0.34 -0.18 0.00 0.37 0.00 0.00 40.66 42.33 1wwx h LEU 11 CO 0.32 -0.43 0.43 4.11 -0.34 0.00 0.00 178.44 182.53 1wwx h TRP 12 N -0.60 0.65 -0.39 1.25 5.08 -1.97 0.96 115.95 120.94 1wwx h TRP 12 Ca 0.01 0.05 -0.08 0.00 1.08 0.00 0.00 58.89 59.96 1wwx h TRP 12 Cb 0.60 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 1wwx h TRP 12 CO -0.26 -0.42 -0.05 0.93 -1.28 0.00 0.00 178.44 177.35 1wwx h GLU 13 N 0.05 0.73 0.82 0.12 5.08 -1.77 -1.81 114.58 117.79 1wwx h GLU 13 Ca 0.78 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.84 1wwx h GLU 13 Cb 1.94 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 31.15 1wwx h GLU 13 CO -0.78 0.85 -0.40 0.35 -1.00 0.00 0.00 179.01 178.04 1wwx h PHE 14 N 0.54 -1.03 -0.18 4.33 3.04 0.13 0.19 116.94 123.96 1wwx h PHE 14 Ca 0.10 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.08 1wwx h PHE 14 Cb 0.55 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1wwx h PHE 14 CO 0.04 -0.63 0.18 -0.24 -2.02 0.00 0.00 178.31 175.64 1wwx h VAL 15 N -1.14 0.56 0.04 1.41 3.04 -1.18 -2.42 116.25 116.55 1wwx h VAL 15 Ca -0.11 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.57 1wwx h VAL 15 Cb 0.85 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1wwx h VAL 15 CO 0.19 0.00 -0.02 -0.09 -1.01 0.00 0.00 177.57 176.63 1wwx h ARG 16 N 0.00 -0.06 -1.05 4.17 2.43 -0.88 -3.27 114.38 115.72 1wwx h ARG 16 Ca 0.09 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.56 1wwx h ARG 16 Cb 0.45 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1wwx h ARG 16 CO -0.00 0.55 0.78 0.22 -1.51 0.00 0.00 179.97 180.01 1wwx h ASP 17 N -0.92 0.00 -0.30 -3.80 1.82 -0.16 0.19 116.42 113.23 1wwx h ASP 17 Ca -0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 1wwx h ASP 17 Cb 0.64 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 1wwx h ASP 17 CO 0.01 0.00 0.07 -0.07 -1.61 0.00 0.00 179.24 177.64 1wwx h LEU 18 N 0.00 0.47 -1.32 2.28 3.38 -1.53 0.52 115.31 119.10 1wwx h LEU 18 Ca 0.50 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.26 1wwx h LEU 18 Cb 2.05 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.64 1wwx h LEU 18 CO -0.01 0.58 0.47 -0.07 0.09 0.00 0.00 178.44 179.51 1wwx h LEU 19 N 0.33 0.77 0.00 1.67 3.38 -0.71 -0.38 115.31 120.38 1wwx h LEU 19 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wwx h LEU 19 Cb 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1wwx h LEU 19 CO 0.00 0.54 -0.26 0.18 0.09 0.00 0.00 178.44 178.99 1wwx n LEU 20 N -4.45 0.42 -3.93 1.67 4.77 -1.08 -4.39 117.00 110.02 1wwx n LEU 20 Ca 0.09 0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 56.10 1wwx n LEU 20 Cb 0.09 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 1wwx n LEU 20 CO 0.35 -0.01 0.00 -0.44 -1.33 0.00 0.00 177.39 175.97 1wwx s SER 21 N -3.50 4.95 0.00 -1.43 0.01 0.15 -4.90 113.70 108.98 1wwx s SER 21 Ca 0.11 -3.82 0.15 0.00 1.31 0.00 0.00 55.95 53.70 1wwx s SER 21 Cb 0.16 -1.67 0.76 0.00 0.21 0.00 0.00 66.02 65.48 1wwx s SER 21 CO 0.63 -0.10 1.40 -0.81 0.41 0.00 0.00 173.24 174.77 1wwx n PRO 22 N 2.05 0.23 0.07 12.44 -0.04 -1.24 -1.84 135.00 146.66 1wwx n PRO 22 Ca 0.19 0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1wwx n PRO 22 Cb 0.35 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 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 29.31 1wwx h GLU 23 CO 0.00 0.49 -2.41 0.39 -1.00 0.00 0.00 179.01 176.48 1wwx n GLU 24 N -3.09 0.61 -2.37 2.33 -0.58 -0.97 -4.95 120.64 111.62 1wwx n GLU 24 Ca -0.05 0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 1wwx n GLU 24 Cb 0.84 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 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 -6.51 7.05 -0.66 1.62 2.47 -0.76 -5.00 114.94 113.15 1wwx s ASN 25 Ca -0.34 2.17 0.01 0.00 0.42 0.00 0.00 52.86 55.13 1wwx s ASN 25 Cb 0.09 -2.60 0.16 0.00 -1.45 0.00 0.00 41.25 37.46 1wwx s ASN 25 CO 0.55 -0.43 0.46 0.00 -3.72 0.00 0.00 177.10 173.96 1wwx n GLY 27 N 2.79 -0.49 0.08 0.00 0.00 -1.26 -4.81 105.19 101.51 1wwx n GLY 27 Ca 0.12 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1wwx n GLY 27 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wwx h ILE 28 N -0.41 1.30 -3.79 -0.61 2.04 -1.91 -3.35 117.51 110.79 1wwx h ILE 28 Ca -0.30 -3.03 -0.36 0.00 1.00 0.00 0.00 64.86 62.17 1wwx h ILE 28 Cb 1.20 2.71 -0.14 0.00 -0.74 0.00 0.00 36.82 39.85 1wwx h ILE 28 CO 0.37 0.80 -0.60 -0.76 0.00 0.00 0.00 178.15 177.95 1wwx s LEU 29 N -6.65 1.64 0.01 1.44 1.43 -1.26 -1.08 118.68 114.21 1wwx s LEU 29 Ca -0.04 -1.42 -0.02 0.00 -1.03 0.00 0.00 54.13 51.62 1wwx s LEU 29 Cb 0.08 0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.35 1wwx s LEU 29 CO 0.83 -0.76 0.03 -1.61 0.23 0.00 0.00 176.35 175.07 1wwx s GLU 30 N -3.99 0.29 -0.83 1.70 2.02 -0.13 -4.76 118.70 113.00 1wwx s GLU 30 Ca 0.37 -0.39 -0.18 0.00 0.02 0.00 0.00 54.97 54.79 1wwx s GLU 30 Cb 0.07 0.11 0.14 0.00 0.10 0.00 0.00 34.13 34.55 1wwx s GLU 30 CO 0.14 -0.05 0.97 -1.58 0.02 0.00 0.00 175.26 174.76 1wwx s TRP 31 N -1.07 3.17 0.23 1.61 0.23 -1.26 -1.07 118.94 120.78 1wwx s TRP 31 Ca -0.12 -1.34 0.03 0.00 -2.03 0.00 0.00 56.10 52.64 1wwx s TRP 31 Cb -0.07 -4.15 0.22 0.00 0.03 0.00 0.00 33.47 29.50 1wwx s TRP 31 CO -0.00 -1.38 1.54 0.93 0.96 0.00 0.00 176.95 179.00 1wwx h GLU 32 N 8.77 0.29 -1.03 4.98 4.39 -1.49 -3.44 114.58 127.05 1wwx h GLU 32 Ca 0.02 -0.20 0.10 0.00 0.34 0.00 0.00 59.36 59.63 1wwx h GLU 32 Cb 1.04 0.03 -0.21 0.00 -0.10 0.00 0.00 28.75 29.51 1wwx h GLU 32 CO 1.05 0.80 -0.23 -0.51 -1.16 0.00 0.00 179.01 178.96 1wwx s ASP 33 N -6.90 -1.31 0.09 1.42 1.01 -0.69 -4.93 116.67 105.35 1wwx s ASP 33 Ca -0.04 0.89 -0.15 0.00 0.71 0.00 0.00 52.55 53.96 1wwx s ASP 33 Cb 0.12 2.13 -0.11 0.00 1.01 0.00 0.00 42.92 46.06 1wwx s ASP 33 CO 0.81 -0.25 1.37 0.03 0.21 0.00 0.00 175.17 177.34 1wwx h ARG 34 N 8.00 0.68 0.24 8.23 2.47 -1.84 0.72 114.38 132.87 1wwx h ARG 34 Ca -0.22 -0.42 -0.01 0.00 -1.26 0.00 0.00 59.98 58.07 1wwx h ARG 34 Cb 1.16 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1wwx h ARG 34 CO 0.23 1.04 -0.11 0.93 0.56 0.00 0.00 179.97 182.61 1wwx h GLU 35 N 0.40 -0.31 -0.00 0.04 4.39 -1.97 -3.06 114.58 114.06 1wwx h GLU 35 Ca 0.02 0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.53 1wwx h GLU 35 Cb 0.99 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1wwx h GLU 35 CO 0.09 -0.19 -0.90 1.96 -1.16 0.00 0.00 179.01 178.80 1wwx h GLN 36 N -0.34 0.33 0.00 2.33 4.20 -1.98 -3.47 115.11 116.18 1wwx h GLN 36 Ca -0.03 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1wwx h GLN 36 Cb 0.26 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wwx h GLN 36 CO 0.05 1.04 0.00 0.41 -0.67 0.00 0.00 178.83 179.67 1wwx n GLY 37 N 0.90 1.37 3.78 3.46 0.00 0.23 -4.81 105.19 110.11 1wwx n GLY 37 Ca -0.05 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 0.04 -0.61 1.01 0.15 -2.74 121.20 121.75 1wwx s ILE 38 Ca 0.00 1.42 0.01 0.00 0.00 0.00 0.00 60.65 62.08 1wwx s ILE 38 Cb 0.00 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1wwx s ILE 38 CO 0.00 0.48 -0.05 0.72 0.00 0.00 0.00 174.94 176.08 1wwx s PHE 39 N -0.69 0.55 0.03 3.97 -0.71 0.56 -1.19 117.98 120.49 1wwx s PHE 39 Ca 0.33 -0.66 0.06 0.00 -1.04 0.00 0.00 56.93 55.61 1wwx s PHE 39 Cb -0.20 -0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 1wwx s PHE 39 CO 0.21 -0.18 -0.14 0.50 -1.34 0.00 0.00 175.22 174.28 1wwx s ARG 40 N -2.26 2.25 -1.13 1.99 3.52 -0.23 -0.77 118.95 122.31 1wwx s ARG 40 Ca -0.06 -0.89 -0.15 0.00 -0.13 0.00 0.00 55.73 54.50 1wwx s ARG 40 Cb -0.05 -2.31 0.17 0.00 -1.56 0.00 0.00 34.95 31.20 1wwx s ARG 40 CO -0.02 0.56 1.34 0.08 -0.81 0.00 0.00 175.30 176.44 1wwx s VAL 41 N -0.97 5.00 0.16 7.11 1.01 -0.01 -0.96 120.40 131.75 1wwx s VAL 41 Ca 0.16 -2.41 -0.16 0.00 0.00 0.00 0.00 61.98 59.57 1wwx s VAL 41 Cb -0.11 -4.86 0.06 0.00 0.00 0.00 0.00 36.38 31.47 1wwx s VAL 41 CO 0.07 -1.57 1.70 0.58 0.00 0.00 0.00 175.10 175.88 1wwx h VAL 42 N 4.91 0.72 -3.51 2.92 2.07 -1.36 -3.33 116.25 118.67 1wwx h VAL 42 Ca 0.27 -0.04 -0.67 0.00 0.82 0.00 0.00 66.70 67.09 1wwx h VAL 42 Cb 0.91 0.61 -0.38 0.00 -1.52 0.00 0.00 31.29 30.91 1wwx h VAL 42 CO 1.20 0.02 -0.58 -0.54 0.02 0.00 0.00 177.57 177.69 1wwx s LYS 43 N -6.18 2.00 0.25 1.57 1.02 -0.52 -4.92 119.74 112.96 1wwx s LYS 43 Ca -0.13 -2.30 0.23 0.00 0.02 0.00 0.00 55.97 53.78 1wwx s LYS 43 Cb 0.13 -3.43 0.98 0.00 -0.52 0.00 0.00 37.83 34.99 1wwx s LYS 43 CO 0.71 -1.08 1.68 -1.13 -0.92 0.00 0.00 175.35 174.61 1wwx n SER 44 N 3.70 0.61 -0.05 2.83 3.41 -1.25 -1.59 113.62 121.29 1wwx n SER 44 Ca 0.04 0.67 -0.21 0.00 -0.26 0.00 0.00 58.87 59.12 1wwx n SER 44 Cb 0.37 -0.79 -0.13 0.00 -0.26 0.00 0.00 64.21 63.40 1wwx n SER 44 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1wwx h GLU 45 N 0.00 0.11 -0.36 4.33 4.11 -1.94 -3.32 114.58 117.51 1wwx h GLU 45 Ca 0.00 -0.19 -0.11 0.00 0.07 0.00 0.00 59.36 59.13 1wwx h GLU 45 Cb 0.30 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1wwx h GLU 45 CO 0.00 1.09 -0.24 0.00 0.07 0.00 0.00 179.01 179.93 1wwx h ALA 46 N -0.23 0.90 -0.25 1.06 0.00 -1.93 -0.95 119.26 117.87 1wwx h ALA 46 Ca -0.31 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.27 1wwx h ALA 46 Cb 1.51 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 1wwx h ALA 46 CO -0.07 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.03 1wwx h LEU 47 N 0.63 -0.15 0.03 0.00 5.85 -1.47 0.35 115.31 120.55 1wwx h LEU 47 Ca 0.08 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1wwx h LEU 47 Cb 0.74 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1wwx h LEU 47 CO 0.06 -0.04 -0.02 0.00 -0.34 0.00 0.00 178.44 178.10 1wwx h ALA 48 N 1.23 -0.04 -0.71 1.25 0.00 -1.64 -2.16 119.26 117.18 1wwx h ALA 48 Ca 0.12 -0.29 0.16 0.00 0.00 0.00 0.00 54.91 54.89 1wwx h ALA 48 Cb 0.16 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.85 1wwx h ALA 48 CO -0.22 -0.21 0.05 0.87 0.00 0.00 0.00 179.25 179.74 1wwx h LYS 49 N -0.66 0.14 -0.07 0.00 1.57 -1.06 0.40 116.57 116.89 1wwx h LYS 49 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1wwx h LYS 49 Cb 0.60 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1wwx h LYS 49 CO 0.01 0.10 -0.01 0.52 -0.57 0.00 0.00 179.45 179.49 1wwx h MET 50 N 0.15 0.13 -0.20 3.15 2.86 -0.98 -3.03 114.93 117.01 1wwx h MET 50 Ca 0.39 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 58.04 1wwx h MET 50 Cb 0.67 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.25 1wwx h MET 50 CO -0.58 0.43 -0.34 2.35 1.06 0.00 0.00 176.91 179.83 1wwx h TRP 51 N -0.18 -0.94 -0.66 -0.22 -0.00 -0.54 -1.82 115.95 111.58 1wwx h TRP 51 Ca 0.02 0.04 0.14 0.00 -0.00 0.00 0.00 58.89 59.09 1wwx h TRP 51 Cb 0.38 0.44 -0.11 0.00 -0.00 0.00 0.00 29.16 29.88 1wwx h TRP 51 CO 0.04 -0.41 0.05 0.78 -0.00 0.00 0.00 178.44 178.91 1wwx h GLY 52 N -0.37 0.77 -0.18 2.65 0.00 -1.00 0.13 103.07 105.05 1wwx h GLY 52 Ca 0.11 0.05 0.28 0.00 0.00 0.00 0.00 47.33 47.77 1wwx h GLY 52 CO -0.41 -0.20 0.68 1.46 0.00 0.00 0.00 176.54 178.07 1wwx h GLN 53 N 0.16 0.36 -0.27 4.80 1.08 -1.20 0.63 115.11 120.65 1wwx h GLN 53 Ca 0.35 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.40 1wwx h GLN 53 Cb 0.58 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1wwx h GLN 53 CO -0.53 0.24 -0.37 0.00 -0.95 0.00 0.00 178.83 177.21 1wwx h ARG 54 N 0.37 0.62 -0.01 1.46 2.47 -0.61 -2.74 114.38 115.94 1wwx h ARG 54 Ca 0.60 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1wwx h ARG 54 Cb 1.57 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.89 1wwx h ARG 54 CO -0.29 0.90 -0.14 1.63 0.56 0.00 0.00 179.97 182.63 1wwx n LYS 55 N -4.05 1.21 -2.85 0.04 4.76 0.16 -4.93 118.16 112.50 1wwx n LYS 55 Ca -0.01 -0.70 -0.19 0.00 -2.87 0.00 0.00 58.31 54.54 1wwx n LYS 55 Cb 0.50 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 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 -0.29 -3.11 -0.03 1.97 4.76 0.17 -4.87 118.16 116.75 1wwx n LYS 56 Ca 0.15 0.67 -0.16 0.00 -2.87 0.00 0.00 58.31 56.10 1wwx n LYS 56 Cb 0.35 -5.37 -0.13 0.00 -1.84 0.00 0.00 35.03 28.04 1wwx n LYS 56 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1wwx h ASN 57 N -0.60 0.14 0.00 4.39 -1.24 -1.82 -3.48 115.58 112.97 1wwx h ASN 57 Ca -0.41 -0.98 0.00 0.00 0.71 0.00 0.00 56.30 55.63 1wwx h ASN 57 Cb 1.29 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1wwx h ASN 57 CO 0.48 1.11 0.00 -0.67 -1.29 0.00 0.00 177.43 177.05 1wwx n ASP 58 N -4.47 0.00 -1.51 1.15 -0.08 -1.26 -4.76 116.55 105.62 1wwx n ASP 58 Ca -0.11 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.07 1wwx n ASP 58 Cb 0.58 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.24 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 -1.52 2.12 -2.82 -0.67 5.12 -1.26 -5.00 116.66 112.63 1wwx n ARG 59 Ca 0.00 -3.11 -0.40 0.00 -1.93 0.00 0.00 57.85 52.41 1wwx n ARG 59 Cb 0.00 -1.95 -0.06 0.00 -1.16 0.00 0.00 32.46 29.30 1wwx n ARG 59 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1wwx s MET 60 N -3.23 4.75 -0.23 5.56 1.75 -1.26 -5.00 119.30 121.64 1wwx s MET 60 Ca 0.49 1.38 -0.20 0.00 -1.25 0.00 0.00 55.69 56.11 1wwx s MET 60 Cb 0.43 -3.29 0.06 0.00 2.84 0.00 0.00 34.83 34.87 1wwx s MET 60 CO 0.04 0.49 0.61 -0.08 -0.65 0.00 0.00 175.02 175.43 1wwx s THR 61 N -0.99 -0.00 0.27 10.11 -1.32 -1.26 -4.60 115.64 117.85 1wwx s THR 61 Ca 0.40 0.01 0.12 0.00 -1.21 0.00 0.00 61.69 61.01 1wwx s THR 61 Cb -0.25 -0.86 0.29 0.00 -1.51 0.00 0.00 72.50 70.17 1wwx s THR 61 CO 0.30 0.00 1.21 0.00 -2.21 0.00 0.00 174.62 173.92 1wwx n TYR 62 N 3.09 0.78 -0.17 9.09 9.36 -1.26 0.19 117.16 138.24 1wwx n TYR 62 Ca -0.15 0.91 -0.02 0.00 3.32 0.00 0.00 57.90 61.97 1wwx n TYR 62 Cb 0.56 -1.26 0.08 0.00 -0.63 0.00 0.00 39.34 38.09 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 0.23 0.16 2.98 5.08 -1.95 0.19 114.58 121.28 1wwx h GLU 63 Ca 0.60 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.72 1wwx h GLU 63 Cb 1.51 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.74 1wwx h GLU 63 CO -0.63 0.16 -0.99 0.87 -1.00 0.00 0.00 179.01 177.41 1wwx h LYS 64 N 0.24 0.38 -0.40 2.33 1.57 0.16 -3.34 116.57 117.52 1wwx h LYS 64 Ca 0.27 -0.63 0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1wwx h LYS 64 Cb 0.37 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 1wwx h LYS 64 CO -0.35 1.30 -0.04 1.25 -0.57 0.00 0.00 179.45 181.04 1wwx h LEU 65 N -0.20 -0.25 -1.41 2.94 6.46 -0.47 -0.46 115.31 121.92 1wwx h LEU 65 Ca -0.17 0.10 0.37 0.00 -0.12 0.00 0.00 57.88 58.06 1wwx h LEU 65 Cb 1.77 0.20 -0.11 0.00 -0.73 0.00 0.00 40.66 41.79 1wwx h LEU 65 CO 0.19 -0.08 0.78 0.77 -0.62 0.00 0.00 178.44 179.48 1wwx h SER 66 N 0.06 0.31 -0.94 1.25 4.64 -0.74 0.23 113.55 118.36 1wwx h SER 66 Ca 0.19 0.11 0.28 0.00 -0.47 0.00 0.00 61.79 61.91 1wwx h SER 66 Cb 0.29 0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 62.31 1wwx h SER 66 CO -0.36 -0.07 0.38 0.08 -0.87 0.00 0.00 176.83 175.98 1wwx h ARG 67 N 0.20 0.23 0.00 4.77 0.11 -1.22 0.51 114.38 118.98 1wwx h ARG 67 Ca 0.73 -0.01 -0.23 0.00 0.10 0.00 0.00 59.98 60.56 1wwx h ARG 67 Cb 2.16 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 33.20 1wwx h ARG 67 CO -0.36 0.15 -0.95 0.00 0.10 0.00 0.00 179.97 178.92 1wwx h ALA 68 N 1.83 0.35 -0.76 0.08 0.00 -0.68 -2.05 119.26 118.02 1wwx h ALA 68 Ca 0.64 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wwx h ALA 68 Cb 1.40 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1wwx h ALA 68 CO -0.65 0.81 0.42 -0.07 0.00 0.00 0.00 179.25 179.76 1wwx h LEU 69 N 0.24 0.95 0.00 0.00 3.38 -0.06 0.13 115.31 119.95 1wwx h LEU 69 Ca -0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1wwx h LEU 69 Cb 1.59 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1wwx h LEU 69 CO 0.17 0.77 -0.15 0.03 0.09 0.00 0.00 178.44 179.34 1wwx h ARG 70 N 1.05 0.00 0.00 1.13 2.47 -0.87 -3.19 114.38 114.97 1wwx h ARG 70 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 1wwx h ARG 70 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1wwx h ARG 70 CO -0.04 0.00 -0.61 0.98 0.56 0.00 0.00 179.97 180.86 1wwx n TYR 71 N -2.87 0.51 0.21 3.04 4.19 -0.77 -3.71 117.16 117.75 1wwx n TYR 71 Ca 0.04 0.15 0.10 0.00 3.31 0.00 0.00 57.90 61.49 1wwx n TYR 71 Cb 0.51 -0.63 0.25 0.00 0.49 0.00 0.00 39.34 39.97 1wwx n TYR 71 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1wwx h TYR 72 N 0.00 0.00 0.00 2.98 0.05 -0.74 -3.12 116.97 116.14 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 0.72 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1wwx h TYR 72 CO 0.00 0.17 -0.00 1.88 -1.05 0.00 0.00 178.16 179.16 1wwx h TYR 73 N 0.00 0.00 0.12 4.88 0.05 -1.69 0.13 116.97 120.46 1wwx h TYR 73 Ca -0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.57 1wwx h TYR 73 Cb 1.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.76 1wwx h TYR 73 CO 0.00 0.00 -0.88 0.87 -1.05 0.00 0.00 178.16 177.11 1wwx h LYS 74 N 0.00 0.38 0.00 4.88 1.57 -1.78 -3.29 116.57 118.33 1wwx h LYS 74 Ca -0.00 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1wwx h LYS 74 Cb 0.12 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1wwx h LYS 74 CO 0.00 1.25 -0.17 1.79 -0.57 0.00 0.00 179.45 181.75 1wwx h THR 75 N -0.20 0.00 0.00 -0.16 1.35 -1.56 -3.47 112.91 108.87 1wwx h THR 75 Ca -0.14 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1wwx h THR 75 Cb 1.65 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1wwx h THR 75 CO 0.17 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 1wwx n GLY 76 N 1.28 1.67 0.30 5.82 0.00 0.40 -4.78 105.19 109.89 1wwx n GLY 76 Ca 0.05 0.00 0.11 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 0.29 -2.10 -0.61 1.08 -1.78 -3.26 117.51 111.13 1wwx h ILE 77 Ca 0.00 -0.06 -0.59 0.00 -0.39 0.00 0.00 64.86 63.83 1wwx h ILE 77 Cb 0.00 0.12 -0.12 0.00 -3.07 0.00 0.00 36.82 33.75 1wwx h ILE 77 CO 0.00 0.03 -0.68 -0.76 -0.69 0.00 0.00 178.15 176.05 1wwx s LEU 78 N -10.73 2.90 -0.18 1.44 1.43 -1.20 -0.13 118.68 112.22 1wwx s LEU 78 Ca -0.12 -0.91 -0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1wwx s LEU 78 Cb 0.25 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 45.12 1wwx s LEU 78 CO 0.77 -0.07 -0.15 -1.61 0.23 0.00 0.00 176.35 175.51 1wwx s GLU 79 N -3.63 3.16 -0.03 1.70 2.02 0.21 -4.16 118.70 117.97 1wwx s GLU 79 Ca 0.32 -0.76 -0.31 0.00 0.02 0.00 0.00 54.97 54.25 1wwx s GLU 79 Cb -0.03 -2.68 -0.09 0.00 0.10 0.00 0.00 34.13 31.43 1wwx s GLU 79 CO 0.18 -0.11 2.00 -2.13 0.02 0.00 0.00 175.26 175.22 1wwx n ARG 80 N 4.41 2.58 -4.45 1.61 0.63 -1.26 -3.92 116.66 116.26 1wwx n ARG 80 Ca -0.20 0.92 -0.32 0.00 -0.92 0.00 0.00 57.85 57.33 1wwx n ARG 80 Cb 0.51 -2.96 -0.10 0.00 0.45 0.00 0.00 32.46 30.36 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 4.99 3.66 -0.61 5.15 1.01 -1.26 -5.02 120.40 128.32 1wwx s VAL 81 Ca 0.92 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.12 1wwx s VAL 81 Cb -0.48 -2.59 0.49 0.00 0.00 0.00 0.00 36.38 33.79 1wwx s VAL 81 CO 0.43 0.39 2.01 -0.67 0.00 0.00 0.00 175.10 177.26 1wwx n ASP 82 N 1.55 6.80 -2.09 3.32 -0.08 -1.26 -4.94 116.55 119.85 1wwx n ASP 82 Ca -0.15 -3.72 -0.01 0.00 -1.51 0.00 0.00 54.79 49.40 1wwx n ASP 82 Cb 0.53 -0.95 -0.00 0.00 2.34 0.00 0.00 41.12 43.03 1wwx n ASP 82 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wwx n ARG 83 N -0.92 1.74 -3.58 -0.67 1.74 -1.26 -5.11 116.66 108.60 1wwx n ARG 83 Ca 0.61 -0.11 -0.39 0.00 -0.77 0.00 0.00 57.85 57.19 1wwx n ARG 83 Cb 0.88 0.02 -0.11 0.00 -1.02 0.00 0.00 32.46 32.23 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 -2.06 3.70 -1.68 5.56 6.06 -1.26 -4.48 118.95 124.79 1wwx s ARG 84 Ca 0.00 -0.49 -0.15 0.00 -2.50 0.00 0.00 55.73 52.59 1wwx s ARG 84 Cb -0.00 -3.69 0.14 0.00 0.06 0.00 0.00 34.95 31.46 1wwx s ARG 84 CO 0.00 -0.30 0.65 1.28 -2.50 0.00 0.00 175.30 174.43 1wwx n LEU 85 N 5.06 -1.60 -3.87 -0.88 7.99 -1.26 -4.87 117.00 117.56 1wwx n LEU 85 Ca -0.14 -1.06 -0.28 0.00 -0.01 0.00 0.00 56.01 54.52 1wwx n LEU 85 Cb 0.51 -2.00 -0.16 0.00 -0.11 0.00 0.00 43.42 41.65 1wwx n LEU 85 CO 0.34 0.30 -0.41 -0.69 -1.51 0.00 0.00 177.39 175.42 1wwx s VAL 86 N -3.47 1.09 0.39 4.08 1.01 -1.26 -0.83 120.40 121.42 1wwx s VAL 86 Ca 0.59 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1wwx s VAL 86 Cb -0.33 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1wwx s VAL 86 CO 0.94 0.03 0.17 -0.31 0.00 0.00 0.00 175.10 175.93 1wwx s TYR 87 N 1.62 2.63 -0.11 5.22 1.51 0.05 -4.55 117.35 123.73 1wwx s TYR 87 Ca -0.01 -0.52 -0.07 0.00 -1.01 0.00 0.00 57.07 55.47 1wwx s TYR 87 Cb -0.16 -1.86 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1wwx s TYR 87 CO -0.07 0.22 0.27 0.21 -1.11 0.00 0.00 175.55 175.06 1wwx s LYS 88 N -3.89 0.25 0.09 -0.62 2.20 -1.25 -0.32 119.74 116.19 1wwx s LYS 88 Ca 0.40 0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 56.21 1wwx s LYS 88 Cb 0.01 -0.04 -0.07 0.00 -1.51 0.00 0.00 37.83 36.23 1wwx s LYS 88 CO 0.23 -0.13 1.31 -0.06 -0.36 0.00 0.00 175.35 176.34 1wwx s PHE 89 N 0.95 3.32 0.00 4.03 0.08 -1.11 0.67 117.98 125.92 1wwx s PHE 89 Ca -0.07 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.08 1wwx s PHE 89 Cb -0.08 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 1wwx s PHE 89 CO -0.06 -1.92 0.00 0.41 -0.10 0.00 0.00 175.22 173.55 1wwx n GLY 90 N 3.38 -0.40 0.05 4.36 0.00 0.82 -4.74 105.19 108.66 1wwx n GLY 90 Ca 0.10 -1.41 0.11 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 0.40 0.21 1.61 2.85 -1.24 -4.00 118.16 118.00 1wwx n LYS 91 Ca 0.00 0.01 0.08 0.00 -1.05 0.00 0.00 58.31 57.35 1wwx n LYS 91 Cb 0.00 -1.65 0.45 0.00 -0.65 0.00 0.00 35.03 33.18 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 -3.43 -5.58 2.35 -1.83 -3.43 115.58 103.66 1wwx h ASN 92 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1wwx h ASN 92 Cb 0.82 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.15 1wwx h ASN 92 CO 0.00 0.29 0.16 0.00 -1.65 0.00 0.00 177.43 176.23 1wwx s ALA 93 N -3.81 3.38 0.02 -0.83 0.00 -1.26 -4.88 121.76 114.38 1wwx s ALA 93 Ca -0.01 0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1wwx s ALA 93 Cb 0.12 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1wwx s ALA 93 CO 0.66 0.09 -0.23 -3.38 0.00 0.00 0.00 175.76 172.90 1wwx s HIS 94 N -0.15 2.02 0.00 0.00 -3.43 -1.26 -4.78 115.29 107.69 1wwx s HIS 94 Ca 0.38 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 1wwx s HIS 94 Cb -0.21 -1.24 0.00 0.00 -1.43 0.00 0.00 32.58 29.71 1wwx s HIS 94 CO 0.23 0.06 0.00 0.41 -2.00 0.00 0.00 174.74 173.44 1wwx n GLY 95 N 2.07 3.41 0.13 -1.38 0.00 -1.26 -4.92 105.19 103.24 1wwx n GLY 95 Ca -0.16 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 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 0.59 -2.48 1.61 5.08 -1.99 -3.47 115.95 115.29 1wwx h TRP 96 Ca 0.00 -0.43 -0.51 0.00 1.08 0.00 0.00 58.89 59.03 1wwx h TRP 96 Cb 0.00 -0.02 0.23 0.00 -3.00 0.00 0.00 29.16 26.37 1wwx h TRP 96 CO 0.00 1.47 -1.29 1.04 -1.28 0.00 0.00 178.44 178.38 1wwx n GLN 97 N -3.94 -0.53 -1.10 0.12 6.02 -1.26 -4.72 117.38 111.97 1wwx n GLN 97 Ca -0.19 -0.13 -0.39 0.00 -0.01 0.00 0.00 57.00 56.27 1wwx n GLN 97 Cb 0.92 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.64 1wwx n GLN 97 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1wwx n GLU 98 N -0.28 0.00 -3.95 -1.09 0.00 -1.26 -4.95 120.64 109.11 1wwx n GLU 98 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.07 1wwx n GLU 98 Cb 0.59 -0.87 -0.02 0.00 0.00 0.00 0.00 31.44 31.14 1wwx n GLU 98 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1wwx s ASP 99 N -0.58 0.25 -0.11 4.31 1.47 -1.26 -5.00 116.67 115.76 1wwx s ASP 99 Ca 0.55 -1.15 -0.33 0.00 1.18 0.00 0.00 52.55 52.80 1wwx s ASP 99 Cb -0.79 0.72 -0.10 0.00 -0.34 0.00 0.00 42.92 42.41 1wwx s ASP 99 CO 0.44 -1.41 1.98 0.29 0.68 0.00 0.00 175.17 177.15 1wwx n LYS 100 N -0.50 2.19 -3.37 2.11 4.76 -1.26 -4.93 118.16 117.16 1wwx n LYS 100 Ca -0.03 0.77 0.02 0.00 -2.87 0.00 0.00 58.31 56.19 1wwx n LYS 100 Cb 0.61 -2.78 -0.03 0.00 -1.84 0.00 0.00 35.03 30.99 1wwx n LYS 100 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1wwx s LEU 101 N 5.05 -0.96 0.22 -0.35 2.96 -1.26 -5.04 118.68 119.30 1wwx s LEU 101 Ca 0.95 0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 55.78 1wwx s LEU 101 Cb -0.61 1.96 0.38 0.00 0.50 0.00 0.00 46.19 48.42 1wwx s LEU 101 CO 0.47 -0.18 1.18 -1.20 -1.32 0.00 0.00 176.35 175.30 1wwx n SER 102 N 5.32 -0.25 0.00 3.68 7.64 -1.26 -4.78 113.62 123.97 1wwx n SER 102 Ca -0.07 1.30 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1wwx n SER 102 Cb 0.51 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.46 3.98 3.60 0.23 0.00 -1.26 -5.16 105.19 105.12 1wwx n GLY 103 Ca 0.13 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.29 -1.04 0.10 1.61 0.04 -1.26 -4.98 135.00 127.18 1wwx s PRO 104 Ca 0.00 0.00 -0.13 0.00 0.04 0.00 0.00 61.00 60.91 1wwx s PRO 104 Cb 0.00 -1.61 -0.14 0.00 0.04 0.00 0.00 34.50 32.78 1wwx s PRO 104 CO 0.00 -3.60 1.32 0.66 0.04 0.00 0.00 177.00 175.42 1wwx h SER 105 N -2.50 0.91 0.00 6.66 4.64 -2.04 -3.46 113.55 117.76 1wwx h SER 105 Ca -0.46 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.25 1wwx h SER 105 Cb 1.30 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1wwx h SER 105 CO 0.37 1.36 0.00 -0.24 -0.87 0.00 0.00 176.83 177.45 1wwx n SER 106 N -4.01 0.00 0.00 4.97 2.88 -1.26 -5.34 113.62 110.86 1wwx n SER 106 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wwx n SER 106 Cb 0.69 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1wwx n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42