#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 -0.76 -0.73 1.61 0.15 -1.26 -5.09 113.70 107.62 1wwx s SER 2 Ca 0.00 0.63 -0.25 0.00 0.70 0.00 0.00 55.95 57.03 1wwx s SER 2 Cb 0.00 1.70 -0.14 0.00 -1.71 0.00 0.00 66.02 65.87 1wwx s SER 2 CO 0.00 -0.14 2.41 -0.24 1.20 0.00 0.00 173.24 176.47 1wwx n SER 3 N 5.33 1.71 -0.68 5.45 2.88 -1.26 -3.94 113.62 123.11 1wwx n SER 3 Ca -0.06 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.31 1wwx n SER 3 Cb 0.52 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 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 6.54 -1.21 3.56 0.46 0.00 -1.26 -5.15 105.19 108.13 1wwx n GLY 4 Ca 0.46 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.55 -0.42 1.61 0.15 -1.25 -5.13 113.70 108.11 1wwx s SER 5 Ca 0.00 0.67 0.07 0.00 0.70 0.00 0.00 55.95 57.38 1wwx s SER 5 Cb 0.00 0.54 0.18 0.00 -1.71 0.00 0.00 66.02 65.03 1wwx s SER 5 CO 0.00 -0.46 0.58 -0.44 1.20 0.00 0.00 173.24 174.12 1wwx s SER 6 N -0.96 -0.84 0.00 5.45 0.01 -1.26 -4.97 113.70 111.13 1wwx s SER 6 Ca -0.06 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.04 1wwx s SER 6 Cb -0.01 1.58 0.00 0.00 0.21 0.00 0.00 66.02 67.80 1wwx s SER 6 CO 0.05 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1wwx n GLY 7 N 4.12 2.00 3.76 3.44 0.00 -1.26 -5.13 105.19 112.12 1wwx n GLY 7 Ca 0.13 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1wwx n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wwx n SER 8 N 0.00 3.29 0.00 1.61 3.41 -1.26 -4.69 113.62 115.98 1wwx n SER 8 Ca 0.00 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1wwx n SER 8 Cb 0.00 -1.59 0.00 0.00 -0.26 0.00 0.00 64.21 62.36 1wwx n SER 8 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wwx n SER 9 N -0.09 0.00 -1.99 4.04 3.41 -1.26 -5.14 113.62 112.59 1wwx n SER 9 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1wwx n SER 9 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1wwx n SER 9 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1wwx n HIS 10 N 0.00 -4.95 0.21 7.33 8.25 -1.26 -4.29 115.22 120.50 1wwx n HIS 10 Ca 0.00 2.81 -0.16 0.00 -0.26 0.00 0.00 57.72 60.11 1wwx n HIS 10 Cb 0.00 -3.71 -0.08 0.00 1.12 0.00 0.00 29.99 27.32 1wwx n HIS 10 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1wwx h LEU 11 N 3.77 -1.14 -1.74 2.41 5.85 -2.00 -1.13 115.31 121.33 1wwx h LEU 11 Ca 0.00 0.11 0.52 0.00 0.84 0.00 0.00 57.88 59.34 1wwx h LEU 11 Cb 0.00 0.40 -0.10 0.00 0.37 0.00 0.00 40.66 41.32 1wwx h LEU 11 CO 0.00 -0.54 1.17 4.11 -0.34 0.00 0.00 178.44 182.84 1wwx h TRP 12 N -0.78 0.22 0.19 1.25 5.08 -1.95 1.39 115.95 121.35 1wwx h TRP 12 Ca -0.02 0.01 -0.32 0.00 1.08 0.00 0.00 58.89 59.64 1wwx h TRP 12 Cb 0.72 -0.05 0.03 0.00 -3.00 0.00 0.00 29.16 26.87 1wwx h TRP 12 CO -0.26 -0.11 -1.37 0.93 -1.28 0.00 0.00 178.44 176.35 1wwx h GLU 13 N 0.01 0.59 0.68 0.12 5.08 -1.42 -2.70 114.58 116.94 1wwx h GLU 13 Ca 0.89 -0.88 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1wwx h GLU 13 Cb 3.27 0.31 0.01 0.00 0.50 0.00 0.00 28.75 32.84 1wwx h GLU 13 CO -0.20 1.41 -0.33 0.35 -1.00 0.00 0.00 179.01 179.25 1wwx h PHE 14 N 0.21 -0.85 -0.68 4.33 3.04 0.25 -0.47 116.94 122.78 1wwx h PHE 14 Ca -0.22 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.74 1wwx h PHE 14 Cb 2.05 0.28 -0.04 0.00 2.56 0.00 0.00 35.95 40.79 1wwx h PHE 14 CO 0.12 -0.51 0.42 -0.24 -2.02 0.00 0.00 178.31 176.08 1wwx h VAL 15 N -1.00 1.07 -0.73 1.41 3.04 -1.35 -1.93 116.25 116.76 1wwx h VAL 15 Ca -0.09 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1wwx h VAL 15 Cb 0.73 0.19 -0.04 0.00 -2.01 0.00 0.00 31.29 30.16 1wwx h VAL 15 CO 0.15 0.15 0.46 -0.09 -1.01 0.00 0.00 177.57 177.23 1wwx h ARG 16 N 0.81 0.97 -0.06 4.17 2.43 -1.41 -2.72 114.38 118.58 1wwx h ARG 16 Ca 0.28 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1wwx h ARG 16 Cb 0.05 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1wwx h ARG 16 CO -0.12 0.66 -0.05 0.22 -1.51 0.00 0.00 179.97 179.17 1wwx h ASP 17 N 0.99 -0.16 -0.89 -3.80 1.82 -0.27 -2.47 116.42 111.64 1wwx h ASP 17 Ca 0.26 0.03 0.24 0.00 -0.39 0.00 0.00 57.03 57.18 1wwx h ASP 17 Cb -0.08 0.08 -0.15 0.00 0.68 0.00 0.00 39.33 39.86 1wwx h ASP 17 CO -0.05 -0.07 0.18 -0.07 -1.61 0.00 0.00 179.24 177.62 1wwx h LEU 18 N -0.06 -0.12 -1.19 2.28 4.07 -1.27 1.25 115.31 120.27 1wwx h LEU 18 Ca 0.04 0.22 0.04 0.00 0.08 0.00 0.00 57.88 58.26 1wwx h LEU 18 Cb 0.12 0.32 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 1wwx h LEU 18 CO -0.10 -0.21 0.55 -0.07 -1.08 0.00 0.00 178.44 177.54 1wwx h LEU 19 N 0.14 0.90 -0.43 1.67 3.38 -1.47 -0.94 115.31 118.57 1wwx h LEU 19 Ca 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1wwx h LEU 19 Cb 1.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1wwx h LEU 19 CO -0.72 0.62 -0.38 0.18 0.09 0.00 0.00 178.44 178.23 1wwx n LEU 20 N -4.45 1.05 -3.86 1.67 4.77 0.25 -4.55 117.00 111.89 1wwx n LEU 20 Ca 0.11 -0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.52 1wwx n LEU 20 Cb 0.11 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 1wwx n LEU 20 CO 0.35 0.21 -0.08 -0.44 -1.33 0.00 0.00 177.39 176.09 1wwx s SER 21 N -2.63 4.44 0.00 -1.43 0.01 0.36 -4.91 113.70 109.54 1wwx s SER 21 Ca 0.20 -3.66 0.15 0.00 1.31 0.00 0.00 55.95 53.95 1wwx s SER 21 Cb 0.19 -1.51 0.75 0.00 0.21 0.00 0.00 66.02 65.65 1wwx s SER 21 CO 0.59 -0.11 1.40 -0.81 0.41 0.00 0.00 173.24 174.72 1wwx n PRO 22 N 2.22 0.21 0.08 12.44 -0.04 -1.24 -1.73 135.00 146.94 1wwx n PRO 22 Ca 0.19 0.14 -0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1wwx n PRO 22 Cb 0.36 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -3.39 114.58 114.91 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 0.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1wwx h GLU 23 CO 0.00 0.48 -2.32 0.39 -1.00 0.00 0.00 179.01 176.56 1wwx n GLU 24 N -3.10 0.53 -1.81 2.33 -0.58 -0.97 -4.94 120.64 112.10 1wwx n GLU 24 Ca -0.04 0.19 -0.42 0.00 -0.42 0.00 0.00 57.16 56.47 1wwx n GLU 24 Cb 0.82 -1.39 -0.03 0.00 -0.57 0.00 0.00 31.44 30.27 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 -6.82 6.53 -0.66 1.62 2.47 -0.71 -4.95 114.94 112.43 1wwx s ASN 25 Ca -0.33 2.52 0.00 0.00 0.42 0.00 0.00 52.86 55.48 1wwx s ASN 25 Cb 0.11 -2.54 0.16 0.00 -1.45 0.00 0.00 41.25 37.54 1wwx s ASN 25 CO 0.46 -0.99 0.46 0.00 -3.72 0.00 0.00 177.10 173.31 1wwx n GLY 27 N 2.97 -0.43 0.11 0.00 0.00 -1.26 -4.85 105.19 101.73 1wwx n GLY 27 Ca 0.11 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.48 1.41 -4.46 -0.61 5.41 -1.26 -3.99 119.36 111.39 1wwx n ILE 28 Ca 0.01 -0.68 -0.23 0.00 1.00 0.00 0.00 62.75 62.85 1wwx n ILE 28 Cb 0.53 -0.99 -0.09 0.00 -0.71 0.00 0.00 39.64 38.38 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 -6.03 1.97 -0.08 1.39 1.43 -1.26 -0.06 118.68 116.04 1wwx s LEU 29 Ca -0.23 -1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 51.21 1wwx s LEU 29 Cb 0.07 -0.13 0.02 0.00 0.03 0.00 0.00 46.19 46.18 1wwx s LEU 29 CO 0.69 -0.82 0.28 -1.61 0.23 0.00 0.00 176.35 175.12 1wwx s GLU 30 N -3.81 0.41 -0.86 1.70 2.02 -0.22 -4.72 118.70 113.22 1wwx s GLU 30 Ca 0.30 0.21 -0.21 0.00 0.02 0.00 0.00 54.97 55.29 1wwx s GLU 30 Cb 0.05 0.19 0.10 0.00 0.10 0.00 0.00 34.13 34.57 1wwx s GLU 30 CO 0.15 -0.07 1.14 -1.58 0.02 0.00 0.00 175.26 174.92 1wwx s TRP 31 N -0.28 2.86 0.22 1.61 0.23 -1.26 -1.05 118.94 121.28 1wwx s TRP 31 Ca -0.04 -1.01 0.02 0.00 -2.03 0.00 0.00 56.10 53.03 1wwx s TRP 31 Cb -0.03 -4.37 0.20 0.00 0.03 0.00 0.00 33.47 29.30 1wwx s TRP 31 CO 0.01 -1.63 1.54 0.93 0.96 0.00 0.00 176.95 178.76 1wwx h GLU 32 N 9.25 0.36 -1.28 4.98 4.39 -1.33 -3.44 114.58 127.51 1wwx h GLU 32 Ca 0.02 -0.24 0.08 0.00 0.34 0.00 0.00 59.36 59.57 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 1.19 0.84 -0.24 -0.51 -1.16 0.00 0.00 179.01 179.13 1wwx s ASP 33 N -6.91 -1.28 0.13 1.42 1.01 -0.71 -4.93 116.67 105.39 1wwx s ASP 33 Ca -0.05 1.04 -0.11 0.00 0.71 0.00 0.00 52.55 54.13 1wwx s ASP 33 Cb 0.12 2.17 -0.08 0.00 1.01 0.00 0.00 42.92 46.14 1wwx s ASP 33 CO 0.81 -0.25 1.42 0.03 0.21 0.00 0.00 175.17 177.40 1wwx h ARG 34 N 8.01 0.90 0.13 8.23 2.47 -1.84 0.78 114.38 133.06 1wwx h ARG 34 Ca -0.22 -0.54 -0.01 0.00 -1.26 0.00 0.00 59.98 57.95 1wwx h ARG 34 Cb 1.14 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1wwx h ARG 34 CO 0.22 1.19 -0.06 0.93 0.56 0.00 0.00 179.97 182.80 1wwx h GLU 35 N 0.70 -0.17 0.02 0.04 3.07 -1.97 -3.17 114.58 113.09 1wwx h GLU 35 Ca 0.03 0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 58.68 1wwx h GLU 35 Cb 1.11 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1wwx h GLU 35 CO 0.11 0.04 -0.95 1.96 -1.40 0.00 0.00 179.01 178.77 1wwx h GLN 36 N -0.36 0.31 0.00 2.33 4.20 -1.98 -3.48 115.11 116.13 1wwx h GLN 36 Ca -0.02 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1wwx h GLN 36 Cb 0.29 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1wwx h GLN 36 CO 0.03 1.06 0.00 0.41 -0.67 0.00 0.00 178.83 179.66 1wwx n GLY 37 N 0.99 1.11 3.75 3.46 0.00 0.26 -4.78 105.19 109.98 1wwx n GLY 37 Ca -0.06 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 4.72 0.06 -0.61 1.01 -0.39 -2.97 121.20 121.02 1wwx s ILE 38 Ca 0.00 1.61 0.03 0.00 0.00 0.00 0.00 60.65 62.29 1wwx s ILE 38 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1wwx s ILE 38 CO 0.00 0.38 -0.09 0.72 0.00 0.00 0.00 174.94 175.94 1wwx s PHE 39 N -0.13 0.84 0.03 3.97 -0.71 0.88 -0.84 117.98 122.02 1wwx s PHE 39 Ca 0.38 -0.53 0.05 0.00 -1.04 0.00 0.00 56.93 55.78 1wwx s PHE 39 Cb -0.21 -0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 41.08 1wwx s PHE 39 CO 0.23 -0.05 -0.09 0.50 -1.34 0.00 0.00 175.22 174.47 1wwx s ARG 40 N -1.88 2.39 -1.08 1.99 3.52 -0.21 -0.34 118.95 123.34 1wwx s ARG 40 Ca -0.05 -0.83 -0.15 0.00 -0.13 0.00 0.00 55.73 54.57 1wwx s ARG 40 Cb -0.08 -2.41 0.17 0.00 -1.56 0.00 0.00 34.95 31.07 1wwx s ARG 40 CO 0.00 0.57 1.26 0.08 -0.81 0.00 0.00 175.30 176.41 1wwx s VAL 41 N -1.03 5.05 0.15 7.11 1.01 0.69 -1.06 120.40 132.33 1wwx s VAL 41 Ca 0.18 -2.35 -0.19 0.00 0.00 0.00 0.00 61.98 59.62 1wwx s VAL 41 Cb -0.11 -4.81 0.04 0.00 0.00 0.00 0.00 36.38 31.50 1wwx s VAL 41 CO 0.09 -1.51 1.67 0.58 0.00 0.00 0.00 175.10 175.92 1wwx h VAL 42 N 4.97 0.60 -3.49 2.92 2.07 -0.76 -3.32 116.25 119.24 1wwx h VAL 42 Ca 0.24 0.00 -0.68 0.00 0.82 0.00 0.00 66.70 67.08 1wwx h VAL 42 Cb 0.93 0.60 -0.37 0.00 -1.52 0.00 0.00 31.29 30.93 1wwx h VAL 42 CO 1.15 0.00 -0.48 -0.54 0.02 0.00 0.00 177.57 177.72 1wwx s LYS 43 N -6.18 2.30 0.56 1.57 1.02 -0.54 -4.92 119.74 113.55 1wwx s LYS 43 Ca -0.14 -2.51 0.31 0.00 0.02 0.00 0.00 55.97 53.65 1wwx s LYS 43 Cb 0.13 -3.56 1.70 0.00 -0.52 0.00 0.00 37.83 35.57 1wwx s LYS 43 CO 0.69 -1.14 2.16 0.66 -0.92 0.00 0.00 175.35 176.81 1wwx h SER 44 N 6.91 0.00 0.00 2.83 4.64 -1.85 -0.83 113.55 125.25 1wwx h SER 44 Ca -0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1wwx h SER 44 Cb 0.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1wwx h SER 44 CO 0.70 0.06 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.31 1wwx h GLU 45 N 0.00 0.00 -0.28 4.77 4.39 -1.94 -3.29 114.58 118.24 1wwx h GLU 45 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1wwx h GLU 45 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1wwx h GLU 45 CO 0.01 0.73 0.14 0.00 -1.16 0.00 0.00 179.01 178.73 1wwx h ALA 46 N -0.30 1.74 -0.04 3.43 0.00 -1.94 -1.23 119.26 120.92 1wwx h ALA 46 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wwx h ALA 46 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1wwx h ALA 46 CO -0.01 0.22 -0.11 1.25 0.00 0.00 0.00 179.25 180.61 1wwx h LEU 47 N 0.38 -0.31 -0.37 0.00 5.85 -1.27 -0.09 115.31 119.50 1wwx h LEU 47 Ca 0.10 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.70 1wwx h LEU 47 Cb 0.02 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1wwx h LEU 47 CO -0.02 -0.15 -0.53 0.00 -0.34 0.00 0.00 178.44 177.40 1wwx h ALA 48 N 0.85 0.54 -0.27 1.25 0.00 -1.55 -2.38 119.26 117.70 1wwx h ALA 48 Ca 0.05 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.50 1wwx h ALA 48 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1wwx h ALA 48 CO -0.14 0.68 0.02 0.87 0.00 0.00 0.00 179.25 180.69 1wwx h LYS 49 N 0.61 0.10 -0.14 0.00 6.56 -0.94 -0.01 116.57 122.76 1wwx h LYS 49 Ca 0.02 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 1wwx h LYS 49 Cb 1.12 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.75 1wwx h LYS 49 CO 0.11 0.07 0.01 0.52 -2.06 0.00 0.00 179.45 178.11 1wwx h MET 50 N 0.11 0.23 0.10 3.15 2.86 -1.03 -3.09 114.93 117.26 1wwx h MET 50 Ca 0.13 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1wwx h MET 50 Cb 0.15 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1wwx h MET 50 CO -0.20 0.44 -0.39 2.35 1.06 0.00 0.00 176.91 180.16 1wwx h TRP 51 N -0.00 -1.10 -0.90 -0.22 -0.00 -1.14 -2.01 115.95 110.57 1wwx h TRP 51 Ca 0.04 0.03 0.25 0.00 -0.00 0.00 0.00 58.89 59.21 1wwx h TRP 51 Cb 0.32 0.47 -0.15 0.00 -0.00 0.00 0.00 29.16 29.80 1wwx h TRP 51 CO 0.02 -0.49 0.25 0.78 -0.00 0.00 0.00 178.44 179.00 1wwx h GLY 52 N -0.62 1.44 1.43 2.65 0.00 -1.02 0.86 103.07 107.81 1wwx h GLY 52 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.38 1wwx h GLY 52 CO -0.24 -0.41 0.25 1.46 0.00 0.00 0.00 176.54 177.59 1wwx h GLN 53 N 0.19 0.22 -0.10 4.80 4.20 -1.28 0.19 115.11 123.32 1wwx h GLN 53 Ca 0.58 -0.01 -0.18 0.00 0.06 0.00 0.00 58.65 59.10 1wwx h GLN 53 Cb 1.22 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.95 1wwx h GLN 53 CO -0.69 0.15 -0.71 0.00 -0.67 0.00 0.00 178.83 176.91 1wwx h ARG 54 N 0.23 0.46 -0.20 1.46 2.47 0.92 -2.99 114.38 116.73 1wwx h ARG 54 Ca 0.16 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1wwx h ARG 54 Cb 0.35 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1wwx h ARG 54 CO -0.03 1.00 0.00 1.63 0.56 0.00 0.00 179.97 183.13 1wwx n LYS 55 N -3.86 1.90 -2.43 0.04 4.76 -0.43 -4.92 118.16 113.22 1wwx n LYS 55 Ca -0.04 -1.35 -0.20 0.00 -2.87 0.00 0.00 58.31 53.85 1wwx n LYS 55 Cb 0.70 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.46 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 0.58 -1.84 -4.21 1.97 5.02 0.48 -4.97 118.16 115.19 1wwx n LYS 56 Ca 0.17 0.97 -0.35 0.00 -2.02 0.00 0.00 58.31 57.08 1wwx n LYS 56 Cb 0.39 -5.64 -0.09 0.00 -0.02 0.00 0.00 35.03 29.67 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 -2.07 5.52 0.00 4.39 2.47 -0.14 -4.99 114.94 120.12 1wwx s ASN 57 Ca 0.01 0.19 0.22 0.00 0.42 0.00 0.00 52.86 53.70 1wwx s ASN 57 Cb -0.00 -1.70 -0.01 0.00 -1.45 0.00 0.00 41.25 38.09 1wwx s ASN 57 CO 0.01 0.34 1.08 0.47 -3.72 0.00 0.00 177.10 175.28 1wwx n ASP 58 N 2.42 2.02 -1.50 -4.21 9.92 -1.26 -4.19 116.55 119.76 1wwx n ASP 58 Ca -0.18 -1.51 -0.02 0.00 -0.53 0.00 0.00 54.79 52.54 1wwx n ASP 58 Cb 0.54 0.48 0.26 0.00 -0.64 0.00 0.00 41.12 41.76 1wwx n ASP 58 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wwx n ARG 59 N -0.03 3.01 -2.72 -1.24 5.12 -1.26 -4.99 116.66 114.55 1wwx n ARG 59 Ca 0.09 -3.04 -0.41 0.00 -1.93 0.00 0.00 57.85 52.56 1wwx n ARG 59 Cb 0.47 -2.02 -0.04 0.00 -1.16 0.00 0.00 32.46 29.71 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 -3.02 4.68 -0.27 5.56 1.75 -1.26 -4.96 119.30 121.78 1wwx s MET 60 Ca 0.49 1.46 -0.23 0.00 -1.25 0.00 0.00 55.69 56.16 1wwx s MET 60 Cb 0.41 -3.38 0.08 0.00 2.84 0.00 0.00 34.83 34.77 1wwx s MET 60 CO 0.09 0.19 0.73 -0.08 -0.65 0.00 0.00 175.02 175.29 1wwx s THR 61 N 0.09 0.00 0.24 10.11 -1.32 -1.26 -4.70 115.64 118.80 1wwx s THR 61 Ca 0.47 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.03 1wwx s THR 61 Cb -0.23 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.04 1wwx s THR 61 CO 0.30 0.00 1.14 0.00 -2.21 0.00 0.00 174.62 173.85 1wwx n TYR 62 N 3.08 0.63 -0.18 9.09 9.36 -1.26 0.17 117.16 138.05 1wwx n TYR 62 Ca -0.15 0.87 -0.02 0.00 3.32 0.00 0.00 57.90 61.92 1wwx n TYR 62 Cb 0.56 -1.15 0.06 0.00 -0.63 0.00 0.00 39.34 38.18 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 0.04 0.17 2.98 4.81 -1.95 0.30 114.58 120.93 1wwx h GLU 63 Ca 0.52 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.49 1wwx h GLU 63 Cb 1.23 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.62 1wwx h GLU 63 CO -0.63 0.03 -1.19 0.87 -0.73 0.00 0.00 179.01 177.36 1wwx h LYS 64 N 0.04 0.36 -0.97 1.92 1.57 0.13 -3.33 116.57 116.29 1wwx h LYS 64 Ca 0.27 -0.61 0.17 0.00 -1.87 0.00 0.00 60.65 58.60 1wwx h LYS 64 Cb 0.42 0.23 -0.09 0.00 0.08 0.00 0.00 32.23 32.87 1wwx h LYS 64 CO -0.52 1.29 0.61 1.25 -0.57 0.00 0.00 179.45 181.51 1wwx h LEU 65 N -0.19 0.75 -1.53 2.94 6.46 -0.23 0.12 115.31 123.62 1wwx h LEU 65 Ca -0.22 0.07 0.11 0.00 -0.12 0.00 0.00 57.88 57.72 1wwx h LEU 65 Cb 1.84 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 41.65 1wwx h LEU 65 CO 0.17 0.32 0.47 0.28 -0.62 0.00 0.00 178.44 179.05 1wwx h SER 66 N 0.76 0.46 -0.98 1.25 0.02 -0.51 -1.74 113.55 112.81 1wwx h SER 66 Ca 0.53 0.02 0.32 0.00 -0.84 0.00 0.00 61.79 61.81 1wwx h SER 66 Cb 0.82 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 63.13 1wwx h SER 66 CO -0.30 0.27 0.49 0.08 -1.14 0.00 0.00 176.83 176.23 1wwx h ARG 67 N 0.51 0.23 -0.03 3.45 0.11 -0.90 1.13 114.38 118.87 1wwx h ARG 67 Ca 0.33 -0.01 -0.15 0.00 0.10 0.00 0.00 59.98 60.25 1wwx h ARG 67 Cb 0.61 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 1wwx h ARG 67 CO -0.11 0.15 -0.67 0.00 0.10 0.00 0.00 179.97 179.44 1wwx h ALA 68 N 1.87 0.81 -0.44 0.08 0.00 -1.46 -1.18 119.26 118.94 1wwx h ALA 68 Ca 0.72 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1wwx h ALA 68 Cb 1.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1wwx h ALA 68 CO -0.66 0.80 -0.07 -0.07 0.00 0.00 0.00 179.25 179.25 1wwx h LEU 69 N 0.10 0.75 0.00 0.00 3.38 0.12 -0.86 115.31 118.80 1wwx h LEU 69 Ca -0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1wwx h LEU 69 Cb 1.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1wwx h LEU 69 CO 0.10 0.86 -0.75 0.03 0.09 0.00 0.00 178.44 178.77 1wwx h ARG 70 N 0.70 0.00 0.00 1.13 3.08 -1.14 -3.30 114.38 114.86 1wwx h ARG 70 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1wwx h ARG 70 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1wwx h ARG 70 CO 0.03 0.08 -0.26 -0.92 -1.07 0.00 0.00 179.97 177.83 1wwx h TYR 71 N 0.00 0.00 0.00 3.04 3.20 -0.93 -3.25 116.97 119.04 1wwx h TYR 71 Ca -0.02 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1wwx h TYR 71 Cb 1.12 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1wwx h TYR 71 CO 0.00 0.00 -0.43 1.88 -1.64 0.00 0.00 178.16 177.97 1wwx h TYR 72 N 0.00 0.00 -0.24 -3.82 0.05 -1.23 -3.07 116.97 108.66 1wwx h TYR 72 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1wwx h TYR 72 Cb 0.97 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 1wwx h TYR 72 CO 0.00 0.43 0.16 1.88 -1.05 0.00 0.00 178.16 179.59 1wwx h TYR 73 N 0.00 0.24 -0.36 4.88 0.05 -1.70 0.35 116.97 120.42 1wwx h TYR 73 Ca -0.00 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1wwx h TYR 73 Cb 1.01 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 1wwx h TYR 73 CO 0.00 0.15 0.08 0.87 -1.05 0.00 0.00 178.16 178.21 1wwx h LYS 74 N 0.26 0.59 0.00 4.88 1.57 -1.73 -2.83 116.57 119.30 1wwx h LYS 74 Ca 0.10 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1wwx h LYS 74 Cb 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1wwx h LYS 74 CO -0.02 0.64 -0.32 0.25 -0.57 0.00 0.00 179.45 179.43 1wwx n THR 75 N -4.59 0.41 0.00 -0.16 -2.24 -0.82 -4.93 114.28 101.96 1wwx n THR 75 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1wwx n THR 75 Cb 0.21 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.35 1.92 0.33 3.38 0.00 0.11 -4.78 105.19 107.50 1wwx n GLY 76 Ca 0.05 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.32 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 0.19 -2.15 -0.61 1.08 -1.61 -3.30 117.51 111.11 1wwx h ILE 77 Ca 0.00 -0.07 -0.59 0.00 -0.39 0.00 0.00 64.86 63.81 1wwx h ILE 77 Cb 0.00 -0.02 -0.12 0.00 -3.07 0.00 0.00 36.82 33.60 1wwx h ILE 77 CO 0.00 0.04 -0.70 -0.76 -0.69 0.00 0.00 178.15 176.03 1wwx s LEU 78 N -10.50 2.83 -0.21 1.44 1.43 -1.19 -0.21 118.68 112.28 1wwx s LEU 78 Ca -0.10 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.08 1wwx s LEU 78 Cb 0.31 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 45.24 1wwx s LEU 78 CO 0.78 -0.02 -0.14 -1.61 0.23 0.00 0.00 176.35 175.60 1wwx s GLU 79 N -3.59 2.93 0.04 1.70 0.41 0.56 -4.24 118.70 116.51 1wwx s GLU 79 Ca 0.31 -0.89 -0.38 0.00 -0.41 0.00 0.00 54.97 53.61 1wwx s GLU 79 Cb -0.04 -2.76 -0.17 0.00 -1.78 0.00 0.00 34.13 29.37 1wwx s GLU 79 CO 0.17 -0.29 1.31 -2.13 -0.49 0.00 0.00 175.26 173.83 1wwx n ARG 80 N 4.64 0.90 -5.28 1.61 3.00 -1.26 -4.14 116.66 116.13 1wwx n ARG 80 Ca -0.19 0.33 -0.31 0.00 -0.00 0.00 0.00 57.85 57.68 1wwx n ARG 80 Cb 0.49 -1.94 -0.16 0.00 0.00 0.00 0.00 32.46 30.84 1wwx n ARG 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1wwx s VAL 81 N 0.57 2.01 -0.49 5.15 1.01 -1.26 -5.00 120.40 122.40 1wwx s VAL 81 Ca 0.87 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1wwx s VAL 81 Cb -1.03 -1.68 0.60 0.00 0.00 0.00 0.00 36.38 34.27 1wwx s VAL 81 CO 0.50 0.57 1.89 0.47 0.00 0.00 0.00 175.10 178.53 1wwx n ASP 82 N 2.54 4.64 -3.56 3.32 9.92 -1.26 -4.95 116.55 127.19 1wwx n ASP 82 Ca -0.16 -3.67 -0.18 0.00 -0.53 0.00 0.00 54.79 50.25 1wwx n ASP 82 Cb 0.51 -0.85 -0.03 0.00 -0.64 0.00 0.00 41.12 40.12 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 -1.08 1.21 -3.50 -1.24 1.74 -1.26 -5.12 116.66 107.41 1wwx n ARG 83 Ca 0.58 -2.08 -0.38 0.00 -0.77 0.00 0.00 57.85 55.19 1wwx n ARG 83 Cb 1.36 0.46 -0.10 0.00 -1.02 0.00 0.00 32.46 33.16 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 -3.12 4.01 -1.49 5.56 3.52 -1.26 -4.38 118.95 121.78 1wwx s ARG 84 Ca 0.05 -0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.37 1wwx s ARG 84 Cb -0.00 -3.64 0.13 0.00 -1.56 0.00 0.00 34.95 29.88 1wwx s ARG 84 CO 0.03 -0.18 0.64 1.28 -0.81 0.00 0.00 175.30 176.26 1wwx n LEU 85 N 5.04 -1.48 -3.91 -0.88 7.99 -1.26 -4.87 117.00 117.63 1wwx n LEU 85 Ca -0.12 -0.75 -0.30 0.00 -0.01 0.00 0.00 56.01 54.84 1wwx n LEU 85 Cb 0.51 -1.99 -0.15 0.00 -0.11 0.00 0.00 43.42 41.68 1wwx n LEU 85 CO 0.35 0.21 -0.38 -0.69 -1.51 0.00 0.00 177.39 175.38 1wwx s VAL 86 N -3.09 1.53 0.42 4.08 1.01 -1.26 -0.22 120.40 122.87 1wwx s VAL 86 Ca 0.61 -1.52 0.08 0.00 0.00 0.00 0.00 61.98 61.14 1wwx s VAL 86 Cb -0.33 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1wwx s VAL 86 CO 0.74 -0.36 0.35 -0.31 0.00 0.00 0.00 175.10 175.53 1wwx s TYR 87 N 1.34 2.62 -0.17 5.22 1.51 0.54 -4.61 117.35 123.81 1wwx s TYR 87 Ca 0.02 -0.53 -0.13 0.00 -1.01 0.00 0.00 57.07 55.42 1wwx s TYR 87 Cb -0.18 -2.13 0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1wwx s TYR 87 CO -0.11 -0.11 0.43 0.21 -1.11 0.00 0.00 175.55 174.86 1wwx s LYS 88 N -4.11 0.46 0.17 -0.62 2.20 -1.26 -0.08 119.74 116.49 1wwx s LYS 88 Ca 0.46 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.46 1wwx s LYS 88 Cb -0.02 0.14 -0.08 0.00 -1.51 0.00 0.00 37.83 36.36 1wwx s LYS 88 CO 0.27 -0.10 1.17 -0.06 -0.36 0.00 0.00 175.35 176.27 1wwx s PHE 89 N 0.72 3.48 0.00 4.03 0.08 -1.16 -0.32 117.98 124.81 1wwx s PHE 89 Ca -0.04 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.47 1wwx s PHE 89 Cb -0.05 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 1wwx s PHE 89 CO -0.05 -1.04 0.00 0.41 -0.10 0.00 0.00 175.22 174.44 1wwx n GLY 90 N 2.29 -0.09 0.14 4.36 0.00 0.71 -4.69 105.19 107.90 1wwx n GLY 90 Ca 0.04 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.52 1wwx n GLY 90 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wwx h LYS 91 N 0.00 0.00 -0.05 1.61 2.10 -1.82 -3.30 116.57 115.11 1wwx h LYS 91 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1wwx h LYS 91 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1wwx h LYS 91 CO 0.00 0.20 -0.28 -0.91 -2.00 0.00 0.00 179.45 176.46 1wwx h ASN 92 N 0.00 0.08 -3.41 7.07 -0.26 -1.83 -3.42 115.58 113.81 1wwx h ASN 92 Ca -0.04 -0.02 -0.54 0.00 -0.56 0.00 0.00 56.30 55.13 1wwx h ASN 92 Cb 1.25 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 38.46 1wwx h ASN 92 CO 0.03 0.37 0.29 0.00 -1.06 0.00 0.00 177.43 177.06 1wwx s ALA 93 N -4.40 3.22 0.35 -0.83 0.00 -1.24 -4.89 121.76 113.97 1wwx s ALA 93 Ca -0.04 0.44 0.09 0.00 0.00 0.00 0.00 51.96 52.45 1wwx s ALA 93 Cb 0.15 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 1wwx s ALA 93 CO 0.73 -0.17 -0.02 -3.38 0.00 0.00 0.00 175.76 172.92 1wwx s HIS 94 N 0.81 2.49 0.00 0.00 -3.43 -1.26 -4.76 115.29 109.14 1wwx s HIS 94 Ca 0.48 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.24 1wwx s HIS 94 Cb -0.20 -1.50 0.00 0.00 -1.43 0.00 0.00 32.58 29.45 1wwx s HIS 94 CO 0.26 0.50 0.00 0.41 -2.00 0.00 0.00 174.74 173.91 1wwx n GLY 95 N -0.91 3.09 0.15 -1.38 0.00 -1.26 -4.81 105.19 100.07 1wwx n GLY 95 Ca -0.04 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 0.99 -3.34 1.61 5.08 -1.98 -3.44 115.95 114.86 1wwx h TRP 96 Ca 0.00 -0.71 -0.49 0.00 1.08 0.00 0.00 58.89 58.77 1wwx h TRP 96 Cb 0.00 -0.04 0.22 0.00 -3.00 0.00 0.00 29.16 26.33 1wwx h TRP 96 CO 0.00 1.55 -0.32 1.04 -1.28 0.00 0.00 178.44 179.44 1wwx n GLN 97 N -3.74 -1.25 -1.52 0.12 6.02 -1.26 -4.68 117.38 111.07 1wwx n GLN 97 Ca -0.17 -0.33 -0.39 0.00 -0.01 0.00 0.00 57.00 56.11 1wwx n GLN 97 Cb 1.09 -2.05 -0.10 0.00 1.02 0.00 0.00 30.24 30.20 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 -3.39 0.45 -2.36 -1.09 2.13 -1.26 -4.90 120.64 110.22 1wwx n GLU 98 Ca 0.06 -0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.61 1wwx n GLU 98 Cb 0.55 -2.34 0.04 0.00 0.27 0.00 0.00 31.44 29.96 1wwx n GLU 98 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1wwx s ASP 99 N 10.37 5.43 -0.03 4.31 -1.08 -1.26 -5.08 116.67 129.33 1wwx s ASP 99 Ca 1.20 0.65 0.03 0.00 -0.52 0.00 0.00 52.55 53.90 1wwx s ASP 99 Cb -0.79 -1.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1wwx s ASP 99 CO 0.39 -1.17 -0.10 -0.75 0.52 0.00 0.00 175.17 174.06 1wwx s LYS 100 N -5.03 1.08 -0.47 4.34 2.20 -1.26 -5.04 119.74 115.56 1wwx s LYS 100 Ca 0.55 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.84 1wwx s LYS 100 Cb -0.11 -0.99 0.44 0.00 -1.51 0.00 0.00 37.83 35.66 1wwx s LYS 100 CO 0.45 0.14 1.51 1.47 -0.36 0.00 0.00 175.35 178.56 1wwx n LEU 101 N 3.25 5.97 -3.64 5.43 -0.00 -1.26 -4.97 117.00 121.78 1wwx n LEU 101 Ca -0.18 -4.66 -0.08 0.00 -0.00 0.00 0.00 56.01 51.09 1wwx n LEU 101 Cb 0.54 -0.61 -0.07 0.00 -0.00 0.00 0.00 43.42 43.28 1wwx n LEU 101 CO 0.25 1.90 0.75 -0.55 -0.00 0.00 0.00 177.39 179.73 1wwx s SER 102 N -2.85 -0.44 -0.62 1.45 0.15 -1.26 -5.04 113.70 105.08 1wwx s SER 102 Ca 0.55 0.83 -0.09 0.00 0.70 0.00 0.00 55.95 57.95 1wwx s SER 102 Cb 0.44 0.89 0.01 0.00 -1.71 0.00 0.00 66.02 65.65 1wwx s SER 102 CO -0.03 -0.14 0.65 0.61 1.20 0.00 0.00 173.24 175.53 1wwx n GLY 103 N 2.38 -1.15 3.56 9.45 0.00 -1.26 -4.74 105.19 113.42 1wwx n GLY 103 Ca -0.13 0.82 -0.29 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.05 2.57 0.00 1.61 0.04 -1.26 -3.33 135.00 131.57 1wwx s PRO 104 Ca 0.12 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1wwx s PRO 104 Cb -0.03 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1wwx s PRO 104 CO 0.79 -3.26 0.00 -1.13 0.04 0.00 0.00 177.00 173.43 1wwx n SER 105 N 13.76 0.00 0.11 6.66 3.41 -1.26 -5.03 113.62 131.27 1wwx n SER 105 Ca 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1wwx n SER 105 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1wwx n SER 105 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wwx n SER 106 N 0.00 -2.00 0.00 4.04 7.64 -1.21 -5.28 113.62 116.80 1wwx n SER 106 Ca 0.00 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.48 1wwx n SER 106 Cb 0.00 2.08 0.00 0.00 -1.01 0.00 0.00 64.21 65.28 1wwx n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64